| 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 | 36.1 | Very low | 64.9 | Low | 193 Ų | 193 | 130.9 Ų | 130.9 | 95% | 0.951 | 65% | 0.651 | S | S | * | * | 0 | 119.9 | 0 | -74.7 | 176.2 | 172.9 | 0 | 0 | 105 | K3 | M1-K3 HydrophobicContact CB-CB 4.37Å; M1-K3 HydrophobicContact CG-CB 4.12Å | |||
| 2 | F | 50.1 | Low | 66.5 | Low | 200 Ų | 200 | 131.1 Ų | 131.1 | 88% | 0.877 | 65% | 0.645 | S | S | * | * | -133.2 | 74.9 | 73.7 | -50.1 | -79.5 | 0 | 0 | 0 | 107.3 | |||||
| 3 | K | 53.8 | Low | 67.9 | Low | 173 Ų | 173 | 126.9 Ų | 126.9 | 75% | 0.752 | 63% | 0.626 | S | S | * | * | 7 | 94.2 | 88.5 | -77.8 | -166 | 174.3 | -173 | 0 | 113.2 | M1 | M1-K3 HydrophobicContact CB-CB 4.37Å; M1-K3 HydrophobicContact CG-CB 4.12Å | |||
| 4 | E | 60.4 | Low | 69.1 | Low | 179 Ų | 179 | 126.9 Ų | 126.9 | 84% | 0.836 | 62% | 0.623 | S | S | * | * | trans | 60 | 84.1 | 151.6 | -67.9 | 169.8 | -172.4 | 0 | 0 | 115.3 | K6 | E4-K6 PolarHBondContact O-N 3.27Š| ||
| 5 | V | 56.4 | Low | 70.2 | Confident | 81 Ų | 81 | 126.6 Ų | 126.6 | 49% | 0.491 | 62% | 0.62 | S | S | . | * | trans | -56.9 | 118.3 | 166 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | V9 | V5-V9 HydrophobicContact CG1-CB 3.57Å; V5-V9 HydrophobicContact CG1-CG1 3.51Å | ||
| 6 | K | 66.9 | Low | 71.2 | Confident | 141 Ų | 141 | 120.1 Ų | 120.1 | 61% | 0.613 | 59% | 0.591 | S | S | * | * | trans | -53.8 | 142 | 177.6 | -67.6 | -179 | 175.8 | -175.7 | 0 | 110.2 | E4 E8 V9 T10 | E4-K6 PolarHBondContact O-N 3.27Å; K6-E8 PolarHBondContact O-N 3.03Å; K6-E8 VanDerWaalsContact O-N 3.1Å; K6-V9 HydrophobicContact CB-CG2 4.22Å; K6-V9 WeakPolarHBondContact O-CA 3.03Å; K6-V9 WeakPolarHBondContact O-CB 3.26Å; K6-V9 PolarHBondContact O-N 3.09Å; K6-T10 PolarHBondContact O-N 2.74Å; K6-T10 VanDerWaalsContact O-N 3.12Å; K6-T10 PolarHBondContact O-OG1 2.75Å; K6-T10 VanDerWaalsContact O-OG1 3.1Å | ||
| 7 | P | 73.6 | Confident | 72.1 | Confident | 97 Ų | 97 | 123.1 Ų | 123.1 | 63% | 0.63 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -50.8 | -38.3 | 179.3 | 17.3 | -29.5 | 0 | 0 | 0 | 112.9 | V9 T10 D11 | P7-V9 VanDerWaalsContact C-N 3.29Å; P7-V9 PolarHBondContact O-N 2.87Å; P7-T10 WeakPolarHBondContact CA-OG1 3.17Å; P7-T10 CarbonylContact O-C 3.6Å; P7-T10 WeakPolarHBondContact O-CB 3.49Å; P7-T10 PolarHBondContact O-N 2.8Å; P7-T10 VanDerWaalsContact O-N 3.11Å; P7-T10 PolarHBondContact O-OG1 3.12Å; P7-D11 PolarHBondContact O-N 3.16Å |
| 8 | E | 77.1 | Confident | 73 | Confident | 147 Ų | 147 | 123.9 Ų | 123.9 | 69% | 0.687 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -58.5 | -36.8 | 174.7 | -63.1 | 170.6 | 174 | 0 | 0 | 113.5 | K6 F12 | K6-E8 PolarHBondContact O-N 3.03Å; K6-E8 VanDerWaalsContact O-N 3.1Å; E8-F12 VanDerWaalsContact O-CB 3.27Å; E8-F12 WeakPolarHBondContact O-CB 3.28Å; E8-F12 PolarHBondContact O-N 3.23Å |
| 9 | V | 78.4 | Confident | 73.9 | Confident | 66 Ų | 66 | 121.8 Ų | 121.8 | 40% | 0.4 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75.7 | -36.7 | 177.4 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | V5 K6 P7 F12 I13 | V5-V9 HydrophobicContact CG1-CB 3.57Å; V5-V9 HydrophobicContact CG1-CG1 3.51Å; K6-V9 HydrophobicContact CB-CG2 4.22Å; K6-V9 WeakPolarHBondContact O-CA 3.03Å; K6-V9 WeakPolarHBondContact O-CB 3.26Å; K6-V9 PolarHBondContact O-N 3.09Å; P7-V9 VanDerWaalsContact C-N 3.29Å; P7-V9 PolarHBondContact O-N 2.87Å; V9-F12 PolarHBondContact O-N 3.49Å; V9-I13 HydrophobicContact CG1-CD1 3.88Å; V9-I13 HydrophobicContact CG1-CG1 4.44Å; V9-I13 WeakPolarHBondContact O-CB 3.35Å; V9-I13 WeakPolarHBondContact O-CD1 3.49Å; V9-I13 WeakPolarHBondContact O-CG1 3.41Å; V9-I13 PolarHBondContact O-N 2.93Å |
| 10 | T | 79.7 | Confident | 74.5 | Confident | 61 Ų | 61 | 124.4 Ų | 124.4 | 37% | 0.374 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.7 | -46.7 | 173.1 | -11.6 | 0 | 0 | 0 | 0 | 111.2 | K6 P7 F12 I13 E14 | K6-T10 PolarHBondContact O-N 2.74Å; K6-T10 VanDerWaalsContact O-N 3.12Å; K6-T10 PolarHBondContact O-OG1 2.75Å; K6-T10 VanDerWaalsContact O-OG1 3.1Å; P7-T10 WeakPolarHBondContact CA-OG1 3.17Å; P7-T10 CarbonylContact O-C 3.6Å; P7-T10 WeakPolarHBondContact O-CB 3.49Å; P7-T10 PolarHBondContact O-N 2.8Å; P7-T10 VanDerWaalsContact O-N 3.11Å; P7-T10 PolarHBondContact O-OG1 3.12Å; T10-F12 PolarHBondContact O-N 3.07Å; T10-I13 CarbonylContact O-C 3.57Å; T10-I13 PolarHBondContact O-N 3.18Å; T10-I13 VanDerWaalsContact O-N 3.16Å; T10-E14 PolarHBondContact O-N 3.48Å |
| 11 | D | 81.9 | Confident | 75.1 | Confident | 102 Ų | 102 | 121.9 Ų | 121.9 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.6 | -43.8 | 176.1 | -74.5 | -11.2 | 0 | 0 | 0 | 111.2 | P7 I13 E14 Q15 | P7-D11 PolarHBondContact O-N 3.16Å; D11-I13 VanDerWaalsContact C-N 3.33Å; D11-I13 PolarHBondContact O-N 3.45Å; D11-E14 PolarHBondContact O-N 3Å; D11-Q15 VanDerWaalsContact O-CB 3.28Å; D11-Q15 WeakPolarHBondContact O-CB 3.48Å; D11-Q15 PolarHBondContact O-N 3.39Å |
| 12 | F | 83.8 | Confident | 77.7 | Confident | 133 Ų | 133 | 117.7 Ų | 117.7 | 58% | 0.583 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.2 | -40.9 | 174.2 | 176.9 | -99.1 | 0 | 0 | 0 | 112.1 | E8 V9 T10 S16 | E8-F12 VanDerWaalsContact O-CB 3.27Å; E8-F12 WeakPolarHBondContact O-CB 3.28Å; E8-F12 PolarHBondContact O-N 3.23Å; V9-F12 PolarHBondContact O-N 3.49Å; T10-F12 PolarHBondContact O-N 3.07Å; F12-S16 WeakPolarHBondContact O-CB 3.25Å; F12-S16 PolarHBondContact O-N 3.48Å; F12-S16 PolarHBondContact O-OG 2.71Å |
| 13 | I | 84.8 | Confident | 79.6 | Confident | 77 Ų | 77 | 116.5 Ų | 116.5 | 40% | 0.395 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 176.3 | -71.5 | 166.6 | 0 | 0 | 0 | 110.7 | V9 T10 D11 S16 R17 | V9-I13 HydrophobicContact CG1-CD1 3.88Å; V9-I13 HydrophobicContact CG1-CG1 4.44Å; V9-I13 WeakPolarHBondContact O-CB 3.35Å; V9-I13 WeakPolarHBondContact O-CD1 3.49Å; V9-I13 WeakPolarHBondContact O-CG1 3.41Å; V9-I13 PolarHBondContact O-N 2.93Å; T10-I13 CarbonylContact O-C 3.57Å; T10-I13 PolarHBondContact O-N 3.18Å; T10-I13 VanDerWaalsContact O-N 3.16Å; D11-I13 VanDerWaalsContact C-N 3.33Å; D11-I13 PolarHBondContact O-N 3.45Å; I13-S16 PolarHBondContact O-N 2.91Å; I13-R17 WeakPolarHBondContact O-CB 3.07Å; I13-R17 PolarHBondContact O-N 2.64Å |
| 14 | E | 84.8 | Confident | 81.2 | Confident | 126 Ų | 126 | 117.4 Ų | 117.4 | 59% | 0.589 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.1 | -44.6 | 177.2 | -79 | -161.1 | 166.4 | 0 | 0 | 111.9 | T10 D11 S16 R17 K18 | T10-E14 PolarHBondContact O-N 3.48Å; D11-E14 PolarHBondContact O-N 3Å; E14-S16 VanDerWaalsContact C-N 3.33Å; E14-S16 PolarHBondContact O-N 2.88Å; E14-R17 CarbonylContact O-C 3.56Å; E14-R17 WeakPolarHBondContact O-CB 3.39Å; E14-R17 PolarHBondContact O-N 2.81Å; E14-R17 VanDerWaalsContact O-N 3.15Å; E14-K18 WeakPolarHBondContact O-CB 3.36Å; E14-K18 PolarHBondContact O-N 3Å |
| 15 | Q | 85.9 | Confident | 82.6 | Confident | 123 Ų | 123 | 112.9 Ų | 112.9 | 58% | 0.575 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.9 | -41.5 | 175.8 | -159.6 | 178.2 | 28.4 | 0 | 0 | 110.8 | D11 K18 Q19 | D11-Q15 VanDerWaalsContact O-CB 3.28Å; D11-Q15 WeakPolarHBondContact O-CB 3.48Å; D11-Q15 PolarHBondContact O-N 3.39Å; Q15-K18 PolarHBondContact O-N 2.7Å; Q15-Q19 WeakPolarHBondContact O-CB 3.43Å; Q15-Q19 WeakPolarHBondContact O-CG 3.19Å; Q15-Q19 PolarHBondContact O-N 3.5Å |
| 16 | S | 86.1 | Confident | 84.3 | Confident | 22 Ų | 22 | 111.9 Ų | 111.9 | 15% | 0.154 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 171.9 | -69.7 | 0 | 0 | 0 | 0 | 112.2 | F12 I13 E14 R20 | F12-S16 WeakPolarHBondContact O-CB 3.25Å; F12-S16 PolarHBondContact O-N 3.48Å; F12-S16 PolarHBondContact O-OG 2.71Å; I13-S16 PolarHBondContact O-N 2.91Å; E14-S16 VanDerWaalsContact C-N 3.33Å; E14-S16 PolarHBondContact O-N 2.88Å; S16-R20 WeakPolarHBondContact O-CB 3.46Å; S16-R20 VanDerWaalsContact O-CG 3.22Å; S16-R20 WeakPolarHBondContact O-CG 3.15Å; S16-R20 PolarHBondContact O-N 3.14Å |
| 17 | R | 86.8 | Confident | 85.5 | Confident | 171 Ų | 171 | 112.2 Ų | 112.2 | 65% | 0.645 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.4 | -50 | 173.7 | -92.9 | -176.5 | 173.6 | 177.9 | -0.4 | 110.3 | I13 E14 Q19 R20 T21 | I13-R17 WeakPolarHBondContact O-CB 3.07Å; I13-R17 PolarHBondContact O-N 2.64Å; E14-R17 CarbonylContact O-C 3.56Å; E14-R17 WeakPolarHBondContact O-CB 3.39Å; E14-R17 PolarHBondContact O-N 2.81Å; E14-R17 VanDerWaalsContact O-N 3.15Å; R17-Q19 PolarHBondContact O-N 3.17Å; R17-R20 CarbonylContact O-C 3.57Å; R17-R20 WeakPolarHBondContact O-CA 3.41Å; R17-R20 WeakPolarHBondContact O-CB 3.44Å; R17-R20 PolarHBondContact O-N 2.84Å; R17-T21 PolarHBondContact O-N 2.92Å; R17-T21 PolarHBondContact O-OG1 3.34Å |
| 18 | K | 87.7 | Confident | 86.3 | Confident | 138 Ų | 138 | 109.8 Ų | 109.8 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.7 | -48.1 | 178.3 | -171.3 | 179.9 | 178.2 | -178 | 0 | 111.2 | E14 Q15 R20 T21 E22 | E14-K18 WeakPolarHBondContact O-CB 3.36Å; E14-K18 PolarHBondContact O-N 3Å; Q15-K18 PolarHBondContact O-N 2.7Å; K18-R20 VanDerWaalsContact C-N 3.34Å; K18-R20 PolarHBondContact O-N 3.34Å; K18-T21 PolarHBondContact O-N 2.95Å; K18-E22 VanDerWaalsContact CE-OE1 3.25Å; K18-E22 WeakPolarHBondContact CE-OE1 3.41Å; K18-E22 WeakPolarHBondContact O-CB 3.24Å; K18-E22 WeakPolarHBondContact O-CG 3.45Å; K18-E22 PolarHBondContact O-N 3.16Å |
| 19 | Q | 88.9 | Confident | 87 | Confident | 85 Ų | 85 | 110.4 Ų | 110.4 | 40% | 0.397 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 174.8 | -72.8 | -179.3 | 10.5 | 0 | 0 | 112.7 | Q15 R17 R23 | Q15-Q19 WeakPolarHBondContact O-CB 3.43Å; Q15-Q19 WeakPolarHBondContact O-CG 3.19Å; Q15-Q19 PolarHBondContact O-N 3.5Å; R17-Q19 PolarHBondContact O-N 3.17Å; Q19-R23 WeakPolarHBondContact O-CB 3.47Å; Q19-R23 WeakPolarHBondContact O-CG 3.38Å; Q19-R23 PolarHBondContact O-N 3.29Å |
| 20 | R | 87.6 | Confident | 87.7 | Confident | 173 Ų | 173 | 109.9 Ų | 109.9 | 65% | 0.653 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.1 | -41.5 | 174.1 | -75.5 | 175.5 | -155.7 | 176.4 | 7 | 111.8 | S16 R17 K18 R23 R24 | S16-R20 WeakPolarHBondContact O-CB 3.46Å; S16-R20 VanDerWaalsContact O-CG 3.22Å; S16-R20 WeakPolarHBondContact O-CG 3.15Å; S16-R20 PolarHBondContact O-N 3.14Å; R17-R20 CarbonylContact O-C 3.57Å; R17-R20 WeakPolarHBondContact O-CA 3.41Å; R17-R20 WeakPolarHBondContact O-CB 3.44Å; R17-R20 PolarHBondContact O-N 2.84Å; K18-R20 VanDerWaalsContact C-N 3.34Å; K18-R20 PolarHBondContact O-N 3.34Å; R20-R23 PolarHBondContact O-N 3.48Å; R20-R24 VanDerWaalsContact O-CB 3.31Å; R20-R24 WeakPolarHBondContact O-CB 3.49Å; R20-R24 PolarHBondContact O-N 2.68Å |
| 21 | T | 86.9 | Confident | 88.3 | Confident | 72 Ų | 72 | 112.2 Ų | 112.2 | 44% | 0.442 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 177.3 | -42.7 | 0 | 0 | 0 | 0 | 110.3 | R17 K18 R23 R24 D25 | R17-T21 PolarHBondContact O-N 2.92Å; R17-T21 PolarHBondContact O-OG1 3.34Å; K18-T21 PolarHBondContact O-N 2.95Å; T21-R23 PolarHBondContact O-N 2.91Å; T21-R24 CarbonylContact O-C 3.58Å; T21-R24 WeakPolarHBondContact O-CB 3.43Å; T21-R24 PolarHBondContact O-N 3.46Å; T21-R24 VanDerWaalsContact O-N 3.11Å; T21-D25 WeakPolarHBondContact O-CB 2.93Å; T21-D25 VanDerWaalsContact O-CG 3.29Å; T21-D25 PolarHBondContact O-N 3.46Å |
| 22 | E | 90.5 | Very high | 88.9 | Confident | 104 Ų | 104 | 110.5 Ų | 110.5 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 174.8 | -74.3 | 171.7 | -178.8 | 0 | 0 | 112.1 | K18 D25 A26 | K18-E22 VanDerWaalsContact CE-OE1 3.25Å; K18-E22 WeakPolarHBondContact CE-OE1 3.41Å; K18-E22 WeakPolarHBondContact O-CB 3.24Å; K18-E22 WeakPolarHBondContact O-CG 3.45Å; K18-E22 PolarHBondContact O-N 3.16Å; E22-D25 PolarHBondContact O-N 2.95Å; E22-A26 VanDerWaalsContact O-CB 3.24Å; E22-A26 WeakPolarHBondContact O-CB 3.5Å; E22-A26 PolarHBondContact O-N 2.99Å |
| 23 | R | 89 | Confident | 89.3 | Confident | 175 Ų | 175 | 106.1 Ų | 106.1 | 66% | 0.66 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | 173.9 | -74.2 | 174.1 | -170.4 | 178.5 | 6.3 | 112 | Q19 R20 T21 K27 | Q19-R23 WeakPolarHBondContact O-CB 3.47Å; Q19-R23 WeakPolarHBondContact O-CG 3.38Å; Q19-R23 PolarHBondContact O-N 3.29Å; R20-R23 PolarHBondContact O-N 3.48Å; T21-R23 PolarHBondContact O-N 2.91Å; R23-K27 VanDerWaalsContact O-CB 3.3Å; R23-K27 WeakPolarHBondContact O-CB 3.39Å; R23-K27 PolarHBondContact O-N 3.2Å |
| 24 | R | 88.3 | Confident | 89.7 | Confident | 192 Ų | 192 | 106.6 Ų | 106.6 | 73% | 0.725 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.1 | -44.3 | 177 | -175.6 | 179.7 | 179.5 | 169.9 | -0.2 | 110.9 | R20 T21 K27 A28 | R20-R24 VanDerWaalsContact O-CB 3.31Å; R20-R24 WeakPolarHBondContact O-CB 3.49Å; R20-R24 PolarHBondContact O-N 2.68Å; T21-R24 CarbonylContact O-C 3.58Å; T21-R24 WeakPolarHBondContact O-CB 3.43Å; T21-R24 PolarHBondContact O-N 3.46Å; T21-R24 VanDerWaalsContact O-N 3.11Å; R24-K27 PolarHBondContact O-N 3.39Å; R24-A28 WeakPolarHBondContact O-CB 3.26Å; R24-A28 PolarHBondContact O-N 2.98Å |
| 25 | D | 90.6 | Very high | 90 | Very high | 84 Ų | 84 | 104.6 Ų | 104.6 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.3 | -40.2 | 179.3 | -70.2 | -12.6 | 0 | 0 | 0 | 111.5 | T21 E22 A28 K29 | T21-D25 WeakPolarHBondContact O-CB 2.93Å; T21-D25 VanDerWaalsContact O-CG 3.29Å; T21-D25 PolarHBondContact O-N 3.46Å; E22-D25 PolarHBondContact O-N 2.95Å; D25-A28 PolarHBondContact O-N 3.16Å; D25-K29 WeakPolarHBondContact O-CB 3.35Å; D25-K29 WeakPolarHBondContact O-CG 3.42Å; D25-K29 PolarHBondContact O-N 2.92Å |
| 26 | A | 91.8 | Very high | 90.4 | Very high | 60 Ų | 60 | 104.3 Ų | 104.3 | 50% | 0.496 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E22 K29 A30 | E22-A26 VanDerWaalsContact O-CB 3.24Å; E22-A26 WeakPolarHBondContact O-CB 3.5Å; E22-A26 PolarHBondContact O-N 2.99Å; A26-K29 PolarHBondContact O-N 3.47Å; A26-A30 WeakPolarHBondContact O-CB 3.39Å; A26-A30 PolarHBondContact O-N 3.47Å |
| 27 | K | 90.5 | Very high | 90.8 | Very high | 148 Ų | 148 | 108 Ų | 108 | 64% | 0.643 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.1 | -41.5 | 175 | -168.8 | 175 | -177.4 | 178.1 | 0 | 111.6 | R23 R24 A30 L31 | R23-K27 VanDerWaalsContact O-CB 3.3Å; R23-K27 WeakPolarHBondContact O-CB 3.39Å; R23-K27 PolarHBondContact O-N 3.2Å; R24-K27 PolarHBondContact O-N 3.39Å; K27-A30 PolarHBondContact O-N 2.77Å; K27-L31 HydrophobicContact CG-CD1 4.28Å; K27-L31 WeakPolarHBondContact O-CB 3.17Å; K27-L31 VanDerWaalsContact O-CG 3.28Å; K27-L31 WeakPolarHBondContact O-CG 3.24Å; K27-L31 PolarHBondContact O-N 3.5Å |
| 28 | A | 90.8 | Very high | 91 | Very high | 46 Ų | 46 | 107.1 Ų | 107.1 | 38% | 0.38 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R24 D25 L31 S32 | R24-A28 WeakPolarHBondContact O-CB 3.26Å; R24-A28 PolarHBondContact O-N 2.98Å; D25-A28 PolarHBondContact O-N 3.16Å; A28-L31 PolarHBondContact O-N 3.32Å; A28-S32 VanDerWaalsContact O-CB 3.31Å; A28-S32 WeakPolarHBondContact O-CB 3.4Å; A28-S32 PolarHBondContact O-N 3.45Å; A28-S32 PolarHBondContact O-OG 2.97Å |
| 29 | K | 92.8 | Very high | 91.3 | Very high | 160 Ų | 160 | 105 Ų | 105 | 70% | 0.696 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.5 | -45.5 | 173.4 | -78 | 177.6 | -179.5 | 177.2 | 0 | 111.7 | D25 A26 S32 A33 | D25-K29 WeakPolarHBondContact O-CB 3.35Å; D25-K29 WeakPolarHBondContact O-CG 3.42Å; D25-K29 PolarHBondContact O-N 2.92Å; A26-K29 PolarHBondContact O-N 3.47Å; K29-S32 PolarHBondContact O-N 3.01Å; K29-A33 WeakPolarHBondContact O-CB 3.37Å; K29-A33 PolarHBondContact O-N 3.48Å |
| 30 | A | 92.6 | Very high | 91.4 | Very high | 56 Ų | 56 | 108.5 Ų | 108.5 | 46% | 0.463 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A26 K27 A33 V34 | A26-A30 WeakPolarHBondContact O-CB 3.39Å; A26-A30 PolarHBondContact O-N 3.47Å; K27-A30 PolarHBondContact O-N 2.77Å; A30-A33 PolarHBondContact O-N 3.33Å; A30-V34 WeakPolarHBondContact O-CG2 3.44Å; A30-V34 PolarHBondContact O-N 3.38Å |
| 31 | L | 93.3 | Very high | 91.6 | Very high | 109 Ų | 109 | 108.3 Ų | 108.3 | 57% | 0.571 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 175.3 | -72.6 | 171 | 0 | 0 | 0 | 111.6 | K27 A28 A33 V34 V35 | K27-L31 HydrophobicContact CG-CD1 4.28Å; K27-L31 WeakPolarHBondContact O-CB 3.17Å; K27-L31 VanDerWaalsContact O-CG 3.28Å; K27-L31 WeakPolarHBondContact O-CG 3.24Å; K27-L31 PolarHBondContact O-N 3.5Å; A28-L31 PolarHBondContact O-N 3.32Å; L31-A33 VanDerWaalsContact C-N 3.34Å; L31-A33 PolarHBondContact O-N 3.29Å; L31-V34 PolarHBondContact O-N 3.25Å; L31-V35 WeakPolarHBondContact O-CG2 3.44Å; L31-V35 PolarHBondContact O-N 2.93Å |
| 32 | S | 92.8 | Very high | 91.7 | Very high | 67 Ų | 67 | 107.3 Ų | 107.3 | 47% | 0.469 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | A28 K29 V34 V35 I36 | A28-S32 VanDerWaalsContact O-CB 3.31Å; A28-S32 WeakPolarHBondContact O-CB 3.4Å; A28-S32 PolarHBondContact O-N 3.45Å; A28-S32 PolarHBondContact O-OG 2.97Å; K29-S32 PolarHBondContact O-N 3.01Å; S32-V34 PolarHBondContact O-N 3.23Å; S32-V35 PolarHBondContact O-N 2.99Å; S32-I36 VanDerWaalsContact O-CG1 3.28Å; S32-I36 WeakPolarHBondContact O-CG1 3.44Å; S32-I36 PolarHBondContact O-N 3.39Å |
| 33 | A | 93 | Very high | 91.5 | Very high | 41 Ų | 41 | 106.9 Ų | 106.9 | 34% | 0.339 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K29 A30 L31 V35 I36 Q37 | K29-A33 WeakPolarHBondContact O-CB 3.37Å; K29-A33 PolarHBondContact O-N 3.48Å; A30-A33 PolarHBondContact O-N 3.33Å; L31-A33 VanDerWaalsContact C-N 3.34Å; L31-A33 PolarHBondContact O-N 3.29Å; A33-V35 VanDerWaalsContact C-N 3.34Å; A33-V35 PolarHBondContact O-N 3.37Å; A33-I36 PolarHBondContact O-N 3Å; A33-Q37 WeakPolarHBondContact O-CB 3.45Å; A33-Q37 VanDerWaalsContact O-CG 3.23Å; A33-Q37 WeakPolarHBondContact O-CG 3.49Å; A33-Q37 PolarHBondContact O-N 2.91Å |
| 34 | V | 92.6 | Very high | 91.5 | Very high | 86 Ų | 86 | 100.8 Ų | 100.8 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 176 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | A30 L31 S32 Q37 K38 | A30-V34 WeakPolarHBondContact O-CG2 3.44Å; A30-V34 PolarHBondContact O-N 3.38Å; L31-V34 PolarHBondContact O-N 3.25Å; S32-V34 PolarHBondContact O-N 3.23Å; V34-Q37 PolarHBondContact O-N 3.47Å; V34-K38 VanDerWaalsContact O-CB 3.24Å; V34-K38 WeakPolarHBondContact O-CB 3.26Å; V34-K38 PolarHBondContact O-N 3.34Å |
| 35 | V | 92.2 | Very high | 91.5 | Very high | 84 Ų | 84 | 96 Ų | 96 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 176.7 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L31 S32 A33 K38 N39 | L31-V35 WeakPolarHBondContact O-CG2 3.44Å; L31-V35 PolarHBondContact O-N 2.93Å; S32-V35 PolarHBondContact O-N 2.99Å; A33-V35 VanDerWaalsContact C-N 3.34Å; A33-V35 PolarHBondContact O-N 3.37Å; V35-K38 PolarHBondContact O-N 2.96Å; V35-N39 WeakPolarHBondContact O-CB 3.41Å; V35-N39 PolarHBondContact O-N 2.67Å; V35-N39 PolarHBondContact O-ND2 3.22Å |
| 36 | I | 92.9 | Very high | 91.2 | Very high | 117 Ų | 117 | 97.8 Ų | 97.8 | 60% | 0.6 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -49.1 | 176.7 | -67.9 | 166 | 0 | 0 | 0 | 110.3 | S32 A33 K38 N39 W40 | S32-I36 VanDerWaalsContact O-CG1 3.28Å; S32-I36 WeakPolarHBondContact O-CG1 3.44Å; S32-I36 PolarHBondContact O-N 3.39Å; A33-I36 PolarHBondContact O-N 3Å; I36-K38 PolarHBondContact O-N 2.95Å; I36-N39 PolarHBondContact O-N 3.3Å; I36-W40 WeakPolarHBondContact O-CB 3.35Å; I36-W40 PolarHBondContact O-N 2.99Å |
| 37 | Q | 94.5 | Very high | 90.8 | Very high | 100 Ų | 100 | 102.1 Ų | 102.1 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | -180 | -73.1 | 174.6 | 1.1 | 0 | 0 | 112.4 | A33 V34 W40 R41 | A33-Q37 WeakPolarHBondContact O-CB 3.45Å; A33-Q37 VanDerWaalsContact O-CG 3.23Å; A33-Q37 WeakPolarHBondContact O-CG 3.49Å; A33-Q37 PolarHBondContact O-N 2.91Å; V34-Q37 PolarHBondContact O-N 3.47Å; Q37-W40 PolarHBondContact O-N 3.08Å; Q37-R41 WeakPolarHBondContact O-CB 3.33Å; Q37-R41 VanDerWaalsContact O-CG 3.31Å; Q37-R41 WeakPolarHBondContact O-CG 3.49Å; Q37-R41 PolarHBondContact O-N 3.22Å |
| 38 | K | 92.7 | Very high | 90.7 | Very high | 153 Ų | 153 | 98.6 Ų | 98.6 | 67% | 0.665 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.3 | -48.3 | 175.9 | 177.4 | -174.4 | 174.1 | -177 | 0 | 111.1 | V34 V35 I36 S42 | V34-K38 VanDerWaalsContact O-CB 3.24Å; V34-K38 WeakPolarHBondContact O-CB 3.26Å; V34-K38 PolarHBondContact O-N 3.34Å; V35-K38 PolarHBondContact O-N 2.96Å; I36-K38 PolarHBondContact O-N 2.95Å; K38-S42 VanDerWaalsContact O-CB 3.31Å; K38-S42 WeakPolarHBondContact O-CB 3.28Å; K38-S42 PolarHBondContact O-N 2.99Å |
| 39 | N | 92.2 | Very high | 90.4 | Very high | 92 Ų | 92 | 99.8 Ų | 99.8 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 179.2 | -78.8 | -62.8 | 0 | 0 | 0 | 111.7 | V35 I36 S42 F43 | V35-N39 WeakPolarHBondContact O-CB 3.41Å; V35-N39 PolarHBondContact O-N 2.67Å; V35-N39 PolarHBondContact O-ND2 3.22Å; I36-N39 PolarHBondContact O-N 3.3Å; N39-S42 PolarHBondContact O-N 3.24Å; N39-F43 VanDerWaalsContact O-CB 3.25Å; N39-F43 WeakPolarHBondContact O-CB 3.38Å; N39-F43 PolarHBondContact O-N 2.73Å |
| 40 | W | 91.3 | Very high | 89.9 | Confident | 159 Ų | 159 | 92.8 Ų | 92.8 | 60% | 0.602 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.5 | -49.7 | 176.3 | 179.1 | -113.6 | 0 | 0 | 0 | 112.3 | I36 Q37 S42 F43 V44 | I36-W40 WeakPolarHBondContact O-CB 3.35Å; I36-W40 PolarHBondContact O-N 2.99Å; Q37-W40 PolarHBondContact O-N 3.08Å; W40-S42 VanDerWaalsContact C-N 3.35Å; W40-S42 PolarHBondContact O-N 2.8Å; W40-F43 AromaticContact CE3-CD1 3.95Å; W40-F43 HydrophobicContact CE3-CD1 3.95Å; W40-F43 HydrophobicContact CH2-CD1 4.5Å; W40-F43 HydrophobicContact CH2-CE1 4.49Å; W40-F43 AromaticContact CZ3-CD1 3.76Å; W40-F43 HydrophobicContact CZ3-CD1 3.76Å; W40-F43 AromaticContact CZ3-CE1 3.93Å; W40-F43 HydrophobicContact CZ3-CE1 3.93Å; W40-F43 WeakPolarHBondContact O-CB 3.49Å; W40-F43 PolarHBondContact O-N 3Å; W40-F43 VanDerWaalsContact O-N 3.16Å; W40-V44 HydrophobicContact CD2-CG2 3.99Å; W40-V44 HydrophobicContact CE3-CG2 4.48Å; W40-V44 HydrophobicContact CG-CG2 4.47Å; W40-V44 HydrophobicContact CH2-CG2 4.28Å; W40-V44 HydrophobicContact CZ2-CG2 3.75Å; W40-V44 WeakPolarHBondContact O-CG2 3.41Å; W40-V44 PolarHBondContact O-N 3.46Å |
| 41 | R | 92.9 | Very high | 89.5 | Confident | 170 Ų | 170 | 97.1 Ų | 97.1 | 64% | 0.642 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.6 | -45.4 | 176.9 | -71.8 | 176 | -175.8 | 178.8 | 2.8 | 111.4 | Q37 F43 V44 V45 | Q37-R41 WeakPolarHBondContact O-CB 3.33Å; Q37-R41 VanDerWaalsContact O-CG 3.31Å; Q37-R41 WeakPolarHBondContact O-CG 3.49Å; Q37-R41 PolarHBondContact O-N 3.22Å; R41-F43 VanDerWaalsContact C-N 3.32Å; R41-F43 PolarHBondContact O-N 2.86Å; R41-V44 PolarHBondContact O-N 2.87Å; R41-V45 WeakPolarHBondContact O-CB 3.33Å; R41-V45 VanDerWaalsContact O-CG2 3.28Å; R41-V45 WeakPolarHBondContact O-CG2 3.41Å; R41-V45 PolarHBondContact O-N 2.82Å |
| 42 | S | 87.9 | Confident | 89.2 | Confident | 51 Ų | 51 | 93.9 Ų | 93.9 | 36% | 0.357 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 175.5 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | K38 N39 W40 R46 | K38-S42 VanDerWaalsContact O-CB 3.31Å; K38-S42 WeakPolarHBondContact O-CB 3.28Å; K38-S42 PolarHBondContact O-N 2.99Å; N39-S42 PolarHBondContact O-N 3.24Å; W40-S42 VanDerWaalsContact C-N 3.35Å; W40-S42 PolarHBondContact O-N 2.8Å; S42-R46 WeakPolarHBondContact O-CB 3.39Å; S42-R46 VanDerWaalsContact O-CG 3.31Å; S42-R46 WeakPolarHBondContact O-CG 3.37Å; S42-R46 PolarHBondContact O-N 3.24Å; S42-R46 PolarHBondContact O-NE 3.25Å; S42-R46 PolarHBondContact OG-NE 3.37Å; S42-R46 PolarHBondContact OG-NH2 3Å; S42-R46 VanDerWaalsContact OG-NH2 3.15Å |
| 43 | F | 86.5 | Confident | 88.8 | Confident | 95 Ų | 95 | 93.1 Ų | 93.1 | 42% | 0.417 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.4 | -47.9 | 176.8 | 171.7 | -100.7 | 0 | 0 | 0 | 111.7 | N39 W40 R41 R46 R47 | N39-F43 VanDerWaalsContact O-CB 3.25Å; N39-F43 WeakPolarHBondContact O-CB 3.38Å; N39-F43 PolarHBondContact O-N 2.73Å; W40-F43 AromaticContact CE3-CD1 3.95Å; W40-F43 HydrophobicContact CE3-CD1 3.95Å; W40-F43 HydrophobicContact CH2-CD1 4.5Å; W40-F43 HydrophobicContact CH2-CE1 4.49Å; W40-F43 AromaticContact CZ3-CD1 3.76Å; W40-F43 HydrophobicContact CZ3-CD1 3.76Å; W40-F43 AromaticContact CZ3-CE1 3.93Å; W40-F43 HydrophobicContact CZ3-CE1 3.93Å; W40-F43 WeakPolarHBondContact O-CB 3.49Å; W40-F43 PolarHBondContact O-N 3Å; W40-F43 VanDerWaalsContact O-N 3.16Å; R41-F43 VanDerWaalsContact C-N 3.32Å; R41-F43 PolarHBondContact O-N 2.86Å; F43-R46 PolarHBondContact O-N 3.39Å; F43-R47 VanDerWaalsContact O-CB 3.23Å; F43-R47 WeakPolarHBondContact O-CB 3.45Å; F43-R47 PolarHBondContact O-N 3.48Å |
| 44 | V | 89.1 | Confident | 88.5 | Confident | 46 Ų | 46 | 93.4 Ų | 93.4 | 28% | 0.279 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 178.6 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | W40 R41 R47 N48 | W40-V44 HydrophobicContact CD2-CG2 3.99Å; W40-V44 HydrophobicContact CE3-CG2 4.48Å; W40-V44 HydrophobicContact CG-CG2 4.47Å; W40-V44 HydrophobicContact CH2-CG2 4.28Å; W40-V44 HydrophobicContact CZ2-CG2 3.75Å; W40-V44 WeakPolarHBondContact O-CG2 3.41Å; W40-V44 PolarHBondContact O-N 3.46Å; R41-V44 PolarHBondContact O-N 2.87Å; V44-R47 PolarHBondContact O-N 2.86Å; V44-N48 WeakPolarHBondContact O-CB 3.33Å; V44-N48 VanDerWaalsContact O-CG 3.28Å; V44-N48 PolarHBondContact O-N 3.35Å |
| 45 | V | 88.3 | Confident | 88.1 | Confident | 91 Ų | 91 | 92 Ų | 92 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63 | -50 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | R41 R47 N48 V49 | R41-V45 WeakPolarHBondContact O-CB 3.33Å; R41-V45 VanDerWaalsContact O-CG2 3.28Å; R41-V45 WeakPolarHBondContact O-CG2 3.41Å; R41-V45 PolarHBondContact O-N 2.82Å; V45-R47 VanDerWaalsContact C-N 3.31Å; V45-R47 PolarHBondContact O-N 3.27Å; V45-N48 PolarHBondContact O-N 3.43Å; V45-V49 HydrophobicContact CG1-CG2 4.32Å; V45-V49 WeakPolarHBondContact O-CB 3.44Å; V45-V49 VanDerWaalsContact O-CG2 3.3Å; V45-V49 WeakPolarHBondContact O-CG2 3.46Å; V45-V49 PolarHBondContact O-N 3.27Å |
| 46 | R | 84.7 | Confident | 87.8 | Confident | 123 Ų | 123 | 90.3 Ų | 90.3 | 46% | 0.464 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.1 | -47.7 | 175.7 | -77 | -177.7 | -75.8 | 170.7 | -5.2 | 110.9 | S42 F43 N48 V49 I50 | S42-R46 WeakPolarHBondContact O-CB 3.39Å; S42-R46 VanDerWaalsContact O-CG 3.31Å; S42-R46 WeakPolarHBondContact O-CG 3.37Å; S42-R46 PolarHBondContact O-N 3.24Å; S42-R46 PolarHBondContact O-NE 3.25Å; S42-R46 PolarHBondContact OG-NE 3.37Å; S42-R46 PolarHBondContact OG-NH2 3Å; S42-R46 VanDerWaalsContact OG-NH2 3.15Å; F43-R46 PolarHBondContact O-N 3.39Å; R46-N48 PolarHBondContact O-N 2.96Å; R46-V49 PolarHBondContact O-N 2.98Å; R46-I50 HydrophobicContact CB-CD1 4.4Å; R46-I50 WeakPolarHBondContact O-CB 3.36Å; R46-I50 WeakPolarHBondContact O-CD1 3.26Å; R46-I50 WeakPolarHBondContact O-CG1 3.43Å; R46-I50 PolarHBondContact O-N 3.24Å |
| 47 | R | 84.1 | Confident | 87.4 | Confident | 151 Ų | 151 | 84.8 Ų | 84.8 | 57% | 0.57 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.1 | -42.5 | 178.1 | -174.5 | 177.9 | 176.8 | -179.2 | -0.9 | 112.7 | F43 V44 V45 R51 | F43-R47 VanDerWaalsContact O-CB 3.23Å; F43-R47 WeakPolarHBondContact O-CB 3.45Å; F43-R47 PolarHBondContact O-N 3.48Å; V44-R47 PolarHBondContact O-N 2.86Å; V45-R47 VanDerWaalsContact C-N 3.31Å; V45-R47 PolarHBondContact O-N 3.27Å; R47-R51 WeakPolarHBondContact O-CB 3.22Å; R47-R51 PolarHBondContact O-N 3.08Å |
| 48 | N | 87.3 | Confident | 86.9 | Confident | 73 Ų | 73 | 81.7 Ų | 81.7 | 39% | 0.39 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.7 | -43.6 | 178.5 | -76.4 | -14.9 | 0 | 0 | 0 | 111.9 | V44 V45 R46 I50 R51 G52 | V44-N48 WeakPolarHBondContact O-CB 3.33Å; V44-N48 VanDerWaalsContact O-CG 3.28Å; V44-N48 PolarHBondContact O-N 3.35Å; V45-N48 PolarHBondContact O-N 3.43Å; R46-N48 PolarHBondContact O-N 2.96Å; N48-I50 VanDerWaalsContact C-N 3.34Å; N48-R51 PolarHBondContact O-N 2.93Å; N48-R51 PolarHBondContact OD1-NH2 3.36Å; N48-R51 VanDerWaalsContact OD1-NH2 3.09Å; N48-G52 PolarHBondContact O-N 2.73Å |
| 49 | V | 84.4 | Confident | 86.4 | Confident | 72 Ų | 72 | 79.4 Ų | 79.4 | 44% | 0.436 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 175.6 | 170.5 | 0 | 0 | 0 | 0 | 110.2 | V45 R46 R51 G52 F53 | V45-V49 HydrophobicContact CG1-CG2 4.32Å; V45-V49 WeakPolarHBondContact O-CB 3.44Å; V45-V49 VanDerWaalsContact O-CG2 3.3Å; V45-V49 WeakPolarHBondContact O-CG2 3.46Å; V45-V49 PolarHBondContact O-N 3.27Å; R46-V49 PolarHBondContact O-N 2.98Å; V49-R51 PolarHBondContact O-N 3.46Å; V49-G52 PolarHBondContact O-N 3.06Å; V49-F53 HydrophobicContact CG1-CD2 3.61Å; V49-F53 HydrophobicContact CG1-CE2 3.57Å; V49-F53 VanDerWaalsContact O-CD2 3.26Å; V49-F53 WeakPolarHBondContact O-CD2 3.26Å; V49-F53 PolarHBondContact O-N 3.1Å |
| 50 | I | 82.5 | Confident | 85.8 | Confident | 13 Ų | 13 | 79 Ų | 79 | 7% | 0.067 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 177.8 | -67.4 | 156.2 | 0 | 0 | 0 | 111.2 | R46 N48 G52 F53 R54 Y84 Q88 | R46-I50 HydrophobicContact CB-CD1 4.4Å; R46-I50 WeakPolarHBondContact O-CB 3.36Å; R46-I50 WeakPolarHBondContact O-CD1 3.26Å; R46-I50 WeakPolarHBondContact O-CG1 3.43Å; R46-I50 PolarHBondContact O-N 3.24Å; N48-I50 VanDerWaalsContact C-N 3.34Å; I50-G52 VanDerWaalsContact C-N 3.34Å; I50-G52 PolarHBondContact O-N 3.35Å; I50-F53 PolarHBondContact O-N 3.11Å; I50-R54 WeakPolarHBondContact O-CB 3.27Å; I50-R54 WeakPolarHBondContact O-CG 3.42Å; I50-R54 PolarHBondContact O-N 3Å; I50-Y84 VanDerWaalsContact C-OH 3.23Å; I50-Y84 WeakPolarHBondContact CA-OH 2.94Å; I50-Y84 WeakPolarHBondContact CG2-OH 3.43Å; I50-Y84 PolarHBondContact O-OH 3.43Å; I50-Q88 VanDerWaalsContact CD1-CD 3.49Å; I50-Q88 HydrophobicContact CD1-CG 4.46Å |
| 51 | R | 85.1 | Confident | 85.1 | Confident | 147 Ų | 147 | 71.6 Ų | 71.6 | 56% | 0.555 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.4 | -45 | 177 | -174.8 | 178.8 | 61.9 | -158 | -5.4 | 111 | R47 N48 V49 F53 R54 S55 | R47-R51 WeakPolarHBondContact O-CB 3.22Å; R47-R51 PolarHBondContact O-N 3.08Å; N48-R51 PolarHBondContact O-N 2.93Å; N48-R51 PolarHBondContact OD1-NH2 3.36Å; N48-R51 VanDerWaalsContact OD1-NH2 3.09Å; V49-R51 PolarHBondContact O-N 3.46Å; R51-F53 PolarHBondContact O-N 2.87Å; R51-R54 PolarHBondContact O-N 3.41Å; R51-S55 PolarHBondContact O-N 3.07Å; R51-S55 PolarHBondContact O-OG 3.28Å |
| 52 | G | 86.2 | Confident | 84 | Confident | 40 Ų | 40 | 67 Ų | 67 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.4 | -47 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N48 V49 I50 S55 E56 | N48-G52 PolarHBondContact O-N 2.73Å; V49-G52 PolarHBondContact O-N 3.06Å; I50-G52 VanDerWaalsContact C-N 3.34Å; I50-G52 PolarHBondContact O-N 3.35Å; G52-S55 PolarHBondContact O-N 2.79Å; G52-E56 PolarHBondContact O-N 2.72Å |
| 53 | F | 84.4 | Confident | 82.8 | Confident | 51 Ų | 51 | 71.5 Ų | 71.5 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.6 | -34.3 | 176.7 | -84.7 | -66.3 | 0 | 0 | 0 | 113.5 | V49 I50 R51 E56 F57 Y84 | V49-F53 HydrophobicContact CG1-CD2 3.61Å; V49-F53 HydrophobicContact CG1-CE2 3.57Å; V49-F53 VanDerWaalsContact O-CD2 3.26Å; V49-F53 WeakPolarHBondContact O-CD2 3.26Å; V49-F53 PolarHBondContact O-N 3.1Å; I50-F53 PolarHBondContact O-N 3.11Å; R51-F53 PolarHBondContact O-N 2.87Å; F53-E56 PolarHBondContact O-N 3.28Å; F53-F57 WeakPolarHBondContact O-CB 3.48Å; F53-F57 PolarHBondContact O-N 3.01Å; F53-Y84 HydrophobicContact CB-CD1 3.75Å; F53-Y84 HydrophobicContact CB-CD2 3.49Å; F53-Y84 VanDerWaalsContact CB-CD2 3.49Å; F53-Y84 HydrophobicContact CB-CE1 3.45Å; F53-Y84 VanDerWaalsContact CB-CE1 3.45Å; F53-Y84 HydrophobicContact CB-CE2 3.19Å; F53-Y84 HydrophobicContact CB-CG 3.77Å; F53-Y84 HydrophobicContact CD1-CD2 4.03Å; F53-Y84 HydrophobicContact CD1-CG 4.13Å; F53-Y84 AromaticContact CD2-CD2 3.42Å; F53-Y84 HydrophobicContact CD2-CD2 3.42Å; F53-Y84 VanDerWaalsContact CD2-CD2 3.42Å; F53-Y84 AromaticContact CD2-CE2 3.44Å; F53-Y84 HydrophobicContact CD2-CE2 3.44Å; F53-Y84 VanDerWaalsContact CD2-CE2 3.44Å; F53-Y84 HydrophobicContact CD2-CG 4.32Å; F53-Y84 HydrophobicContact CE2-CD2 4.1Å; F53-Y84 HydrophobicContact CE2-CE2 4.43Å; F53-Y84 HydrophobicContact CG-CD1 4.33Å; F53-Y84 AromaticContact CG-CD2 3.4Å; F53-Y84 HydrophobicContact CG-CD2 3.4Å; F53-Y84 HydrophobicContact CG-CE1 4.41Å; F53-Y84 AromaticContact CG-CE2 3.52Å; F53-Y84 HydrophobicContact CG-CE2 3.52Å; F53-Y84 AromaticContact CG-CG 3.85Å; F53-Y84 HydrophobicContact CG-CG 3.85Å |
| 54 | R | 86 | Confident | 81.2 | Confident | 47 Ų | 47 | 69.1 Ų | 69.1 | 18% | 0.177 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 172.1 | -79.4 | 176.9 | 175.6 | 146 | 3 | 110.9 | I50 R51 E56 F57 D58 Y84 D94 | I50-R54 WeakPolarHBondContact O-CB 3.27Å; I50-R54 WeakPolarHBondContact O-CG 3.42Å; I50-R54 PolarHBondContact O-N 3Å; R51-R54 PolarHBondContact O-N 3.41Å; R54-E56 VanDerWaalsContact C-N 3.34Å; R54-E56 PolarHBondContact O-N 3.38Å; R54-F57 WeakPolarHBondContact O-CB 3.44Å; R54-F57 PolarHBondContact O-N 3.24Å; R54-D58 PolarHBondContact O-N 2.89Å; R54-Y84 HydrophobicContact CG-CE1 4.34Å; R54-D94 IonicContact CZ-OD1 3.12Å; R54-D94 VanDerWaalsContact CZ-OD1 3.31Å; R54-D94 IonicContact CZ-OD2 2.77Å; R54-D94 IonicContact NE-OD1 2.69Å; R54-D94 PolarHBondContact NE-OD1 3.14Å; R54-D94 IonicContact NE-OD2 3.31Å; R54-D94 VanDerWaalsContact NH2-CG 3.34Å; R54-D94 IonicContact NH2-OD1 2.78Å; R54-D94 PolarHBondContact NH2-OD1 3.1Å; R54-D94 VanDerWaalsContact NH2-OD1 3.12Å; R54-D94 IonicContact NH2-OD2 3.88Å; R54-D94 PolarHBondContact NH2-OD2 2.86Å |
| 55 | S | 85.5 | Confident | 79.3 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 41% | 0.406 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 174.7 | -61 | 0 | 0 | 0 | 0 | 112.1 | R51 G52 D58 L59 | R51-S55 PolarHBondContact O-N 3.07Å; R51-S55 PolarHBondContact O-OG 3.28Å; G52-S55 PolarHBondContact O-N 2.79Å; S55-D58 PolarHBondContact O-N 3.36Å; S55-L59 WeakPolarHBondContact O-CB 3.44Å; S55-L59 VanDerWaalsContact O-CG 3.28Å; S55-L59 WeakPolarHBondContact O-CG 3.33Å; S55-L59 PolarHBondContact O-N 3.03Å |
| 56 | E | 85.5 | Confident | 77.5 | Confident | 48 Ų | 48 | 71.1 Ų | 71.1 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 175 | -171.1 | -175.9 | 178.7 | 0 | 0 | 111.9 | G52 F53 R54 K60 F81 | G52-E56 PolarHBondContact O-N 2.72Å; F53-E56 PolarHBondContact O-N 3.28Å; R54-E56 VanDerWaalsContact C-N 3.34Å; R54-E56 PolarHBondContact O-N 3.38Å; E56-K60 HydrophobicContact CG-CD 4.05Å; E56-K60 WeakPolarHBondContact O-CB 3.27Å; E56-K60 PolarHBondContact O-N 2.83Å; E56-K60 IonicContact OE1-NZ 2.72Å; E56-K60 PolarHBondContact OE1-NZ 2.87Å; E56-F81 HydrophobicContact CB-CE1 4.43Å; E56-F81 HydrophobicContact CG-CE1 4.09Å; E56-F81 HydrophobicContact CG-CZ 4.04Å |
| 57 | F | 84.7 | Confident | 75.9 | Confident | 1 Ų | 1 | 72 Ų | 72 | 0% | 0.004 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 174 | 179.5 | -82.4 | 0 | 0 | 0 | 111.2 | F53 R54 L59 K60 I61 L62 F81 L85 R97 V100 L101 | F53-F57 WeakPolarHBondContact O-CB 3.48Å; F53-F57 PolarHBondContact O-N 3.01Å; R54-F57 WeakPolarHBondContact O-CB 3.44Å; R54-F57 PolarHBondContact O-N 3.24Å; F57-L59 PolarHBondContact O-N 2.63Å; F57-K60 PolarHBondContact O-N 3.36Å; F57-I61 HydrophobicContact CD2-CB 4.47Å; F57-I61 HydrophobicContact CD2-CD1 3.67Å; F57-I61 HydrophobicContact CD2-CG1 4.48Å; F57-I61 HydrophobicContact CE1-CB 4.3Å; F57-I61 HydrophobicContact CE1-CG2 4.27Å; F57-I61 HydrophobicContact CE2-CB 4.24Å; F57-I61 HydrophobicContact CE2-CD1 3.51Å; F57-I61 HydrophobicContact CE2-CG1 4.41Å; F57-I61 HydrophobicContact CE2-CG2 4.18Å; F57-I61 HydrophobicContact CZ-CB 4.14Å; F57-I61 HydrophobicContact CZ-CD1 4.24Å; F57-I61 HydrophobicContact CZ-CG2 3.83Å; F57-I61 WeakPolarHBondContact O-CA 3.16Å; F57-I61 WeakPolarHBondContact O-CB 3.4Å; F57-I61 PolarHBondContact O-N 2.85Å; F57-L62 PolarHBondContact O-N 2.98Å; F57-F81 HydrophobicContact CB-CD1 4.09Å; F57-F81 HydrophobicContact CB-CE1 4.17Å; F57-F81 HydrophobicContact CD2-CB 4.11Å; F57-F81 AromaticContact CD2-CD1 3.86Å; F57-F81 HydrophobicContact CD2-CD1 3.86Å; F57-F81 HydrophobicContact CD2-CG 4.12Å; F57-F81 HydrophobicContact CE2-CB 4.47Å; F57-F81 HydrophobicContact CG-CD1 4.48Å; F57-L85 HydrophobicContact CD2-CD1 4.17Å; F57-L85 HydrophobicContact CE2-CD1 3.77Å; F57-L85 HydrophobicContact CZ-CD1 4.31Å; F57-R97 HydrophobicContact CD1-CB 4.08Å; F57-R97 HydrophobicContact CD1-CG 3.82Å; F57-R97 HydrophobicContact CE1-CB 3.57Å; F57-R97 HydrophobicContact CE1-CG 3.7Å; F57-R97 HydrophobicContact CZ-CB 4.09Å; F57-R97 WeakPolarHBondContact CZ-O 3.41Å; F57-V100 HydrophobicContact CE1-CG1 4.42Å; F57-V100 HydrophobicContact CZ-CG1 4.37Å; F57-L101 HydrophobicContact CE2-CB 4.35Å; F57-L101 HydrophobicContact CE2-CD1 4.35Å; F57-L101 HydrophobicContact CZ-CB 4.14Å |
| 58 | D | 84.7 | Confident | 74.4 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | I | π-helix | trans | -62.2 | -46.3 | -178.8 | -62.8 | -23.1 | 0 | 0 | 0 | 111.1 | R54 S55 K60 L62 E63 R97 | R54-D58 PolarHBondContact O-N 2.89Å; S55-D58 PolarHBondContact O-N 3.36Å; D58-K60 PolarHBondContact O-N 2.89Å; D58-L62 HydrophobicContact CB-CB 4.34Å; D58-L62 WeakPolarHBondContact O-CA 3.5Å; D58-L62 WeakPolarHBondContact O-CB 3.45Å; D58-L62 PolarHBondContact O-N 3.38Å; D58-E63 PolarHBondContact O-N 3.45Å; D58-R97 IonicContact OD1-CZ 3.59Å; D58-R97 IonicContact OD1-NE 3.74Å; D58-R97 PolarHBondContact OD1-NE 2.68Å; D58-R97 IonicContact OD1-NH2 2.87Å; D58-R97 PolarHBondContact OD1-NH2 2.91Å; D58-R97 IonicContact OD2-CZ 3.33Å; D58-R97 IonicContact OD2-NE 2.72Å; D58-R97 IonicContact OD2-NH2 3.24Å; D58-R97 PolarHBondContact OD2-NH2 2.9Å |
| 59 | L | 82.3 | Confident | 72.8 | Confident | 106 Ų | 106 | 70.6 Ų | 70.6 | 56% | 0.555 | 38% | 0.375 | S | S | * | . | I | π-helix | trans | -62.5 | -43.4 | 177.6 | -71.7 | 168.3 | 0 | 0 | 0 | 112.7 | S55 F57 | S55-L59 WeakPolarHBondContact O-CB 3.44Å; S55-L59 VanDerWaalsContact O-CG 3.28Å; S55-L59 WeakPolarHBondContact O-CG 3.33Å; S55-L59 PolarHBondContact O-N 3.03Å; F57-L59 PolarHBondContact O-N 2.63Å |
| 60 | K | 78.6 | Confident | 71.5 | Confident | 84 Ų | 84 | 73.2 Ų | 73.2 | 37% | 0.365 | 39% | 0.391 | S | S | . | . | I | π-helix | trans | -88.6 | -29.6 | -172.2 | -75.5 | 177.5 | 173.2 | 177.1 | 0 | 114.7 | E56 F57 D58 E77 F81 | E56-K60 HydrophobicContact CG-CD 4.05Å; E56-K60 WeakPolarHBondContact O-CB 3.27Å; E56-K60 PolarHBondContact O-N 2.83Å; E56-K60 IonicContact OE1-NZ 2.72Å; E56-K60 PolarHBondContact OE1-NZ 2.87Å; F57-K60 PolarHBondContact O-N 3.36Å; D58-K60 PolarHBondContact O-N 2.89Å; K60-E77 WeakPolarHBondContact CE-OE1 3.43Å; K60-E77 IonicContact NZ-OE1 2.81Å; K60-E77 PolarHBondContact NZ-OE1 3.22Å; K60-F81 HydrophobicContact CB-CZ 4.4Å; K60-F81 HydrophobicContact CD-CE2 4.19Å; K60-F81 HydrophobicContact CD-CZ 3.79Å |
| 61 | I | 75.7 | Confident | 70.8 | Confident | 2 Ų | 2 | 79.9 Ų | 79.9 | 1% | 0.01 | 42% | 0.422 | C | S | . | . | I | π-helix | trans | -116.8 | -34.7 | -171.5 | -61.3 | 179.2 | 0 | 0 | 0 | 111.6 | F57 I73 L78 F81 V100 Y104 | F57-I61 HydrophobicContact CD2-CB 4.47Å; F57-I61 HydrophobicContact CD2-CD1 3.67Å; F57-I61 HydrophobicContact CD2-CG1 4.48Å; F57-I61 HydrophobicContact CE1-CB 4.3Å; F57-I61 HydrophobicContact CE1-CG2 4.27Å; F57-I61 HydrophobicContact CE2-CB 4.24Å; F57-I61 HydrophobicContact CE2-CD1 3.51Å; F57-I61 HydrophobicContact CE2-CG1 4.41Å; F57-I61 HydrophobicContact CE2-CG2 4.18Å; F57-I61 HydrophobicContact CZ-CB 4.14Å; F57-I61 HydrophobicContact CZ-CD1 4.24Å; F57-I61 HydrophobicContact CZ-CG2 3.83Å; F57-I61 WeakPolarHBondContact O-CA 3.16Å; F57-I61 WeakPolarHBondContact O-CB 3.4Å; F57-I61 PolarHBondContact O-N 2.85Å; I61-I73 HydrophobicContact CD1-CD1 3.98Å; I61-I73 HydrophobicContact CG1-CD1 4.14Å; I61-L78 HydrophobicContact CD1-CD1 4.43Å; I61-F81 HydrophobicContact CD1-CB 4.12Å; I61-F81 HydrophobicContact CD1-CD1 4.49Å; I61-F81 HydrophobicContact CD1-CD2 3.6Å; I61-F81 HydrophobicContact CD1-CE2 4.14Å; I61-F81 HydrophobicContact CD1-CG 3.82Å; I61-V100 HydrophobicContact CG2-CG1 3.65Å; I61-Y104 HydrophobicContact CG2-CD2 3.92Å; I61-Y104 HydrophobicContact CG2-CE2 4.32Å; I61-Y104 HydrophobicContact CG2-CG 4.34Å |
| 62 | L | 70.8 | Confident | 70.4 | Confident | 73 Ų | 73 | 74.5 Ų | 74.5 | 38% | 0.382 | 40% | 0.403 | S | S | . | . | I | π-helix | trans | -86.1 | -43.4 | -174.5 | -153.1 | 113.4 | 0 | 0 | 0 | 112.6 | F57 D58 G64 N65 V100 | F57-L62 PolarHBondContact O-N 2.98Å; D58-L62 HydrophobicContact CB-CB 4.34Å; D58-L62 WeakPolarHBondContact O-CA 3.5Å; D58-L62 WeakPolarHBondContact O-CB 3.45Å; D58-L62 PolarHBondContact O-N 3.38Å; L62-G64 PolarHBondContact O-N 3.04Å; L62-N65 PolarHBondContact O-N 2.94Å; L62-V100 HydrophobicContact CD1-CB 4.43Å; L62-V100 HydrophobicContact CD1-CG1 4.41Å; L62-V100 HydrophobicContact CD1-CG2 4Å |
| 63 | E | 62.7 | Low | 70.2 | Confident | 147 Ų | 147 | 73.2 Ų | 73.2 | 69% | 0.687 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.2 | 178.9 | -73.6 | -175.3 | 168.4 | 0 | 0 | 113.6 | D58 N65 | D58-E63 PolarHBondContact O-N 3.45Å; E63-N65 VanDerWaalsContact C-N 3.34Å; E63-N65 PolarHBondContact O-N 3.25Å |
| 64 | G | 53.1 | Low | 70.3 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 46% | 0.464 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 8.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116 | L62 | L62-G64 PolarHBondContact O-N 3.04Š|
| 65 | N | 48.8 | Very low | 70.2 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 14% | 0.139 | 39% | 0.388 | C | S | . | . | trans | -111.9 | 23.5 | -158.7 | -128.4 | -4.2 | 0 | 0 | 0 | 116.3 | L62 E63 V67 V69 V100 | L62-N65 PolarHBondContact O-N 2.94Å; E63-N65 VanDerWaalsContact C-N 3.34Å; E63-N65 PolarHBondContact O-N 3.25Å; N65-V67 VanDerWaalsContact C-N 3.27Å; N65-V67 PolarHBondContact O-N 2.99Å; N65-V69 VanDerWaalsContact OD1-CG2 3.26Å; N65-V69 WeakPolarHBondContact OD1-CG2 3.35Å; N65-V100 WeakPolarHBondContact ND2-CG1 3.5Å | ||
| 66 | D | 50.4 | Low | 70.2 | Confident | 152 Ų | 152 | 72.1 Ų | 72.1 | 81% | 0.813 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -67.1 | 86.2 | 166.2 | -94.7 | -22.7 | 0 | 0 | 0 | 110.5 | K68 | D66-K68 PolarHBondContact O-N 3.1Š|
| 67 | V | 51.7 | Low | 70.3 | Confident | 142 Ų | 142 | 72 Ų | 72 | 86% | 0.861 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 61.7 | -23.5 | 163 | -170.6 | 0 | 0 | 0 | 0 | 117.3 | N65 | N65-V67 VanDerWaalsContact C-N 3.27Å; N65-V67 PolarHBondContact O-N 2.99Å |
| 68 | K | 52.6 | Low | 70.5 | Confident | 162 Ų | 162 | 72 Ų | 72 | 70% | 0.704 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -132.4 | 107.8 | 174.2 | -66 | -178.2 | -178.9 | 178.8 | 0 | 108.1 | D66 T70 | D66-K68 PolarHBondContact O-N 3.1Å; K68-T70 VanDerWaalsContact C-N 3.3Å; K68-T70 HydrophobicContact CB-CG2 4.32Å; K68-T70 PolarHBondContact O-N 3.07Å |
| 69 | V | 53.6 | Low | 70.6 | Confident | 33 Ų | 33 | 70.5 Ų | 70.5 | 20% | 0.2 | 38% | 0.38 | C | S | . | . | trans | -63.9 | 93.9 | 173 | -175.9 | 0 | 0 | 0 | 0 | 108 | N65 L72 Y104 N107 | N65-V69 VanDerWaalsContact OD1-CG2 3.26Å; N65-V69 WeakPolarHBondContact OD1-CG2 3.35Å; V69-L72 HydrophobicContact CG1-CD2 3.46Å; V69-L72 VanDerWaalsContact CG1-CD2 3.46Å; V69-L72 HydrophobicContact CG1-CG 3.88Å; V69-Y104 HydrophobicContact CG1-CD2 4.31Å; V69-Y104 HydrophobicContact CG1-CE2 3.99Å; V69-N107 VanDerWaalsContact CG2-ND2 3.33Å; V69-N107 WeakPolarHBondContact CG2-ND2 3.26Å | ||
| 70 | T | 55.8 | Low | 71 | Confident | 127 Ų | 127 | 71.6 Ų | 71.6 | 78% | 0.779 | 38% | 0.377 | S | S | * | . | trans | -88.3 | -22.6 | -178.3 | 46.4 | 0 | 0 | 0 | 0 | 112.2 | K68 | K68-T70 VanDerWaalsContact C-N 3.3Å; K68-T70 HydrophobicContact CB-CG2 4.32Å; K68-T70 PolarHBondContact O-N 3.07Å | ||
| 71 | H | 68.3 | Low | 71.4 | Confident | 153 Ų | 153 | 67.6 Ų | 67.6 | 71% | 0.708 | 36% | 0.36 | S | S | * | . | trans | -126.4 | 97.5 | -177.7 | -156.1 | -76.2 | 0 | 0 | 0 | 112 | ||||
| 72 | L | 76.9 | Confident | 72.1 | Confident | 33 Ų | 33 | 67.5 Ų | 67.5 | 17% | 0.173 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 136 | 175.4 | -70.3 | 168.6 | 0 | 0 | 0 | 111.2 | V69 Y104 T111 V116 | V69-L72 HydrophobicContact CG1-CD2 3.46Å; V69-L72 VanDerWaalsContact CG1-CD2 3.46Å; V69-L72 HydrophobicContact CG1-CG 3.88Å; L72-Y104 WeakPolarHBondContact CA-OH 3.39Å; L72-Y104 HydrophobicContact CD2-CD1 4.21Å; L72-Y104 HydrophobicContact CD2-CD2 4.47Å; L72-Y104 HydrophobicContact CD2-CE1 3.66Å; L72-Y104 HydrophobicContact CD2-CE2 3.96Å; L72-T111 HydrophobicContact CD1-CG2 3.4Å; L72-T111 VanDerWaalsContact CD1-CG2 3.4Å; L72-V116 HydrophobicContact CB-CB 3.96Å; L72-V116 HydrophobicContact CB-CG1 3.3Å; L72-V116 HydrophobicContact CD1-CB 4.35Å; L72-V116 WeakPolarHBondContact O-CG1 3.34Å |
| 73 | I | 83.2 | Confident | 73 | Confident | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.067 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 151.7 | 178 | 68.5 | -177.5 | 0 | 0 | 0 | 110.4 | I61 A75 E77 L78 F81 Y104 V116 | I61-I73 HydrophobicContact CD1-CD1 3.98Å; I61-I73 HydrophobicContact CG1-CD1 4.14Å; I73-A75 PolarHBondContact O-N 2.8Å; I73-E77 HydrophobicContact CD1-CB 4.38Å; I73-E77 HydrophobicContact CD1-CG 4.33Å; I73-L78 HydrophobicContact CD1-CB 4.2Å; I73-L78 HydrophobicContact CD1-CD1 4.47Å; I73-L78 HydrophobicContact CG1-CB 4.19Å; I73-F81 HydrophobicContact CD1-CD2 3.71Å; I73-F81 HydrophobicContact CD1-CE2 3.76Å; I73-Y104 HydrophobicContact CG1-CE1 4.1Å; I73-Y104 WeakPolarHBondContact CG1-OH 3.37Å; I73-Y104 PolarHBondContact N-OH 2.94Å; I73-V116 WeakPolarHBondContact O-CG1 3.13Å |
| 74 | P | 85.1 | Confident | 74 | Confident | 66 Ų | 66 | 62 Ų | 62 | 43% | 0.429 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 137.4 | 177.6 | -26.2 | 34.5 | 0 | 0 | 0 | 112.6 | T76 E77 L78 | P74-T76 PolarHBondContact O-N 3.37Å; P74-E77 WeakPolarHBondContact O-CA 3.26Å; P74-E77 WeakPolarHBondContact O-CB 3.32Å; P74-E77 PolarHBondContact O-N 3.42Å; P74-L78 PolarHBondContact O-N 3.24Å; P74-L78 VanDerWaalsContact O-N 3.08Å |
| 75 | A | 85.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.5 | -30.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I73 E77 L78 L79 K115 S117 L121 | I73-A75 PolarHBondContact O-N 2.8Å; A75-E77 VanDerWaalsContact C-N 3.34Å; A75-L78 WeakPolarHBondContact O-CB 3.09Å; A75-L78 PolarHBondContact O-N 2.95Å; A75-L79 PolarHBondContact O-N 3.27Å; A75-K115 PolarHBondContact N-O 3.35Å; A75-S117 WeakPolarHBondContact CB-O 3.41Å; A75-L121 HydrophobicContact CB-CD1 4.25Å; A75-L121 HydrophobicContact CB-CD2 3.88Å; A75-L121 HydrophobicContact CB-CG 3.87Å; A75-L121 WeakPolarHBondContact O-CD1 3.38Å |
| 76 | T | 85.5 | Confident | 77.4 | Confident | 68 Ų | 68 | 62.5 Ų | 62.5 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.3 | -34.5 | 175.2 | 45 | 0 | 0 | 0 | 0 | 113.1 | P74 R80 L121 T127 | P74-T76 PolarHBondContact O-N 3.37Å; T76-R80 PolarHBondContact O-N 3.14Å; T76-L121 HydrophobicContact CG2-CD2 4.05Å; T76-T127 HydrophobicContact CG2-CG2 4.41Å |
| 77 | E | 87 | Confident | 79.1 | Confident | 45 Ų | 45 | 62.5 Ų | 62.5 | 21% | 0.21 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.8 | -39.9 | 175 | -165.9 | 177.9 | -177.9 | 0 | 0 | 110.5 | K60 I73 P74 A75 L79 R80 F81 | K60-E77 WeakPolarHBondContact CE-OE1 3.43Å; K60-E77 IonicContact NZ-OE1 2.81Å; K60-E77 PolarHBondContact NZ-OE1 3.22Å; I73-E77 HydrophobicContact CD1-CB 4.38Å; I73-E77 HydrophobicContact CD1-CG 4.33Å; P74-E77 WeakPolarHBondContact O-CA 3.26Å; P74-E77 WeakPolarHBondContact O-CB 3.32Å; P74-E77 PolarHBondContact O-N 3.42Å; A75-E77 VanDerWaalsContact C-N 3.34Å; E77-L79 VanDerWaalsContact C-N 3.3Å; E77-L79 PolarHBondContact O-N 3.43Å; E77-R80 WeakPolarHBondContact O-CA 3.27Å; E77-R80 VanDerWaalsContact O-CB 3.25Å; E77-R80 WeakPolarHBondContact O-CB 3.2Å; E77-R80 PolarHBondContact O-N 3.34Å; E77-F81 HydrophobicContact CG-CD2 4.36Å; E77-F81 HydrophobicContact CG-CE2 3.84Å; E77-F81 VanDerWaalsContact O-CD2 3.25Å; E77-F81 WeakPolarHBondContact O-CD2 3.44Å; E77-F81 PolarHBondContact O-N 2.89Å; E77-F81 VanDerWaalsContact O-N 3.1Å |
| 78 | L | 87.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.7 | -44.4 | 170.7 | -177 | 60.2 | 0 | 0 | 0 | 111.6 | I61 I73 P74 A75 R80 F81 V82 L101 Y104 I105 Y118 | I61-L78 HydrophobicContact CD1-CD1 4.43Å; I73-L78 HydrophobicContact CD1-CB 4.2Å; I73-L78 HydrophobicContact CD1-CD1 4.47Å; I73-L78 HydrophobicContact CG1-CB 4.19Å; P74-L78 PolarHBondContact O-N 3.24Å; P74-L78 VanDerWaalsContact O-N 3.08Å; A75-L78 WeakPolarHBondContact O-CB 3.09Å; A75-L78 PolarHBondContact O-N 2.95Å; L78-R80 VanDerWaalsContact C-N 3.27Å; L78-R80 PolarHBondContact O-N 2.98Å; L78-F81 PolarHBondContact O-N 3.31Å; L78-F81 VanDerWaalsContact O-N 3.13Å; L78-V82 WeakPolarHBondContact O-CG2 3.22Å; L78-V82 PolarHBondContact O-N 3.49Å; L78-L101 HydrophobicContact CD1-CD1 3.74Å; L78-Y104 HydrophobicContact CD1-CD1 3.69Å; L78-Y104 HydrophobicContact CD1-CE1 3.95Å; L78-Y104 HydrophobicContact CD2-CD1 3.91Å; L78-Y104 HydrophobicContact CD2-CE1 4.08Å; L78-Y104 HydrophobicContact CG-CD1 4.44Å; L78-I105 HydrophobicContact CD2-CG1 4.19Å; L78-Y118 HydrophobicContact CD2-CD2 3.85Å; L78-Y118 HydrophobicContact CD2-CG 4.32Å; L78-Y118 HydrophobicContact CG-CD2 4.16Å |
| 79 | L | 88.6 | Confident | 82.3 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.8 | -37 | 174.2 | -176.7 | 62 | 0 | 0 | 0 | 112.3 | A75 E77 V82 K83 Y118 L121 T127 E130 T134 | A75-L79 PolarHBondContact O-N 3.27Å; E77-L79 VanDerWaalsContact C-N 3.3Å; E77-L79 PolarHBondContact O-N 3.43Å; L79-V82 PolarHBondContact O-N 2.83Å; L79-K83 HydrophobicContact CG-CD 4.22Å; L79-K83 WeakPolarHBondContact O-CB 3.36Å; L79-K83 VanDerWaalsContact O-CG 3.27Å; L79-K83 WeakPolarHBondContact O-CG 3.47Å; L79-K83 PolarHBondContact O-N 2.81Å; L79-Y118 HydrophobicContact CD1-CE2 4.39Å; L79-L121 HydrophobicContact CB-CD1 3.83Å; L79-L121 HydrophobicContact CD1-CD1 4.42Å; L79-L121 HydrophobicContact CD2-CD1 4.25Å; L79-L121 HydrophobicContact CG-CD1 4.38Å; L79-T127 HydrophobicContact CD2-CG2 4.22Å; L79-E130 HydrophobicContact CD2-CB 4.25Å; L79-T134 HydrophobicContact CD1-CG2 4.07Å; L79-T134 VanDerWaalsContact CD1-OG1 3.28Å; L79-T134 WeakPolarHBondContact CD1-OG1 3.18Å |
| 80 | R | 89.2 | Confident | 83.9 | Confident | 128 Ų | 128 | 56.3 Ų | 56.3 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 175.4 | -174.8 | -176.1 | 176.9 | -158.8 | -4.5 | 111.4 | T76 E77 L78 K83 Y84 | T76-R80 PolarHBondContact O-N 3.14Å; E77-R80 WeakPolarHBondContact O-CA 3.27Å; E77-R80 VanDerWaalsContact O-CB 3.25Å; E77-R80 WeakPolarHBondContact O-CB 3.2Å; E77-R80 PolarHBondContact O-N 3.34Å; L78-R80 VanDerWaalsContact C-N 3.27Å; L78-R80 PolarHBondContact O-N 2.98Å; R80-K83 PolarHBondContact O-N 2.89Å; R80-Y84 WeakPolarHBondContact O-CB 3.48Å; R80-Y84 PolarHBondContact O-N 2.88Å |
| 81 | F | 87.7 | Confident | 85.3 | Confident | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 175.5 | -72.8 | -63.4 | 0 | 0 | 0 | 112.7 | E56 F57 K60 I61 I73 E77 L78 Y84 L85 | E56-F81 HydrophobicContact CB-CE1 4.43Å; E56-F81 HydrophobicContact CG-CE1 4.09Å; E56-F81 HydrophobicContact CG-CZ 4.04Å; F57-F81 HydrophobicContact CB-CD1 4.09Å; F57-F81 HydrophobicContact CB-CE1 4.17Å; F57-F81 HydrophobicContact CD2-CB 4.11Å; F57-F81 AromaticContact CD2-CD1 3.86Å; F57-F81 HydrophobicContact CD2-CD1 3.86Å; F57-F81 HydrophobicContact CD2-CG 4.12Å; F57-F81 HydrophobicContact CE2-CB 4.47Å; F57-F81 HydrophobicContact CG-CD1 4.48Å; K60-F81 HydrophobicContact CB-CZ 4.4Å; K60-F81 HydrophobicContact CD-CE2 4.19Å; K60-F81 HydrophobicContact CD-CZ 3.79Å; I61-F81 HydrophobicContact CD1-CB 4.12Å; I61-F81 HydrophobicContact CD1-CD1 4.49Å; I61-F81 HydrophobicContact CD1-CD2 3.6Å; I61-F81 HydrophobicContact CD1-CE2 4.14Å; I61-F81 HydrophobicContact CD1-CG 3.82Å; I73-F81 HydrophobicContact CD1-CD2 3.71Å; I73-F81 HydrophobicContact CD1-CE2 3.76Å; E77-F81 HydrophobicContact CG-CD2 4.36Å; E77-F81 HydrophobicContact CG-CE2 3.84Å; E77-F81 VanDerWaalsContact O-CD2 3.25Å; E77-F81 WeakPolarHBondContact O-CD2 3.44Å; E77-F81 PolarHBondContact O-N 2.89Å; E77-F81 VanDerWaalsContact O-N 3.1Å; L78-F81 PolarHBondContact O-N 3.31Å; L78-F81 VanDerWaalsContact O-N 3.13Å; F81-Y84 PolarHBondContact O-N 3.31Å; F81-L85 PolarHBondContact O-N 2.92Å |
| 82 | V | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 174.7 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | L78 L79 Y84 L85 K86 L101 I105 Y118 T134 W137 L138 | L78-V82 WeakPolarHBondContact O-CG2 3.22Å; L78-V82 PolarHBondContact O-N 3.49Å; L79-V82 PolarHBondContact O-N 2.83Å; V82-Y84 VanDerWaalsContact C-N 3.3Å; V82-Y84 PolarHBondContact O-N 3.41Å; V82-L85 PolarHBondContact O-N 2.85Å; V82-K86 WeakPolarHBondContact O-CB 3.33Å; V82-K86 PolarHBondContact O-N 2.85Å; V82-L101 HydrophobicContact CG2-CD1 3.94Å; V82-L101 HydrophobicContact CG2-CD2 4.07Å; V82-L101 HydrophobicContact CG2-CG 4.48Å; V82-I105 HydrophobicContact CG2-CD1 4.28Å; V82-Y118 HydrophobicContact CG2-CE2 4.18Å; V82-T134 HydrophobicContact CG1-CG2 4.19Å; V82-W137 HydrophobicContact CG1-CE3 4.3Å; V82-W137 HydrophobicContact CG1-CZ3 4.21Å; V82-L138 HydrophobicContact CG1-CD1 3.94Å; V82-L138 HydrophobicContact CG1-CD2 4.12Å; V82-L138 HydrophobicContact CG1-CG 4.02Å |
| 83 | K | 89.6 | Confident | 86.6 | Confident | 83 Ų | 83 | 58 Ų | 58 | 36% | 0.361 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 176.7 | -74 | 171.9 | 75.7 | 171.4 | 0 | 111.8 | L79 R80 K86 F87 E130 T134 | L79-K83 HydrophobicContact CG-CD 4.22Å; L79-K83 WeakPolarHBondContact O-CB 3.36Å; L79-K83 VanDerWaalsContact O-CG 3.27Å; L79-K83 WeakPolarHBondContact O-CG 3.47Å; L79-K83 PolarHBondContact O-N 2.81Å; R80-K83 PolarHBondContact O-N 2.89Å; K83-K86 PolarHBondContact O-N 2.88Å; K83-F87 PolarHBondContact O-N 3.4Å; K83-E130 IonicContact NZ-OE1 2.82Å; K83-E130 PolarHBondContact NZ-OE1 3Å; K83-E130 IonicContact NZ-OE2 2.76Å; K83-E130 PolarHBondContact NZ-OE2 3.47Å; K83-T134 HydrophobicContact CG-CG2 3.63Å |
| 84 | Y | 85 | Confident | 86.9 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 9% | 0.086 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.2 | -50.6 | 178.2 | 167.8 | -99.1 | 0 | 0 | 0 | 111.6 | I50 F53 R54 R80 F81 V82 K86 F87 | I50-Y84 VanDerWaalsContact C-OH 3.23Å; I50-Y84 WeakPolarHBondContact CA-OH 2.94Å; I50-Y84 WeakPolarHBondContact CG2-OH 3.43Å; I50-Y84 PolarHBondContact O-OH 3.43Å; F53-Y84 HydrophobicContact CB-CD1 3.75Å; F53-Y84 HydrophobicContact CB-CD2 3.49Å; F53-Y84 VanDerWaalsContact CB-CD2 3.49Å; F53-Y84 HydrophobicContact CB-CE1 3.45Å; F53-Y84 VanDerWaalsContact CB-CE1 3.45Å; F53-Y84 HydrophobicContact CB-CE2 3.19Å; F53-Y84 HydrophobicContact CB-CG 3.77Å; F53-Y84 HydrophobicContact CD1-CD2 4.03Å; F53-Y84 HydrophobicContact CD1-CG 4.13Å; F53-Y84 AromaticContact CD2-CD2 3.42Å; F53-Y84 HydrophobicContact CD2-CD2 3.42Å; F53-Y84 VanDerWaalsContact CD2-CD2 3.42Å; F53-Y84 AromaticContact CD2-CE2 3.44Å; F53-Y84 HydrophobicContact CD2-CE2 3.44Å; F53-Y84 VanDerWaalsContact CD2-CE2 3.44Å; F53-Y84 HydrophobicContact CD2-CG 4.32Å; F53-Y84 HydrophobicContact CE2-CD2 4.1Å; F53-Y84 HydrophobicContact CE2-CE2 4.43Å; F53-Y84 HydrophobicContact CG-CD1 4.33Å; F53-Y84 AromaticContact CG-CD2 3.4Å; F53-Y84 HydrophobicContact CG-CD2 3.4Å; F53-Y84 HydrophobicContact CG-CE1 4.41Å; F53-Y84 AromaticContact CG-CE2 3.52Å; F53-Y84 HydrophobicContact CG-CE2 3.52Å; F53-Y84 AromaticContact CG-CG 3.85Å; F53-Y84 HydrophobicContact CG-CG 3.85Å; R54-Y84 HydrophobicContact CG-CE1 4.34Å; R80-Y84 WeakPolarHBondContact O-CB 3.48Å; R80-Y84 PolarHBondContact O-N 2.88Å; F81-Y84 PolarHBondContact O-N 3.31Å; V82-Y84 VanDerWaalsContact C-N 3.3Å; V82-Y84 PolarHBondContact O-N 3.41Å; Y84-K86 VanDerWaalsContact C-N 3.25Å; Y84-K86 PolarHBondContact O-N 3.49Å; Y84-F87 WeakPolarHBondContact O-CB 3.05Å; Y84-F87 PolarHBondContact O-N 3.39Å |
| 85 | L | 85.8 | Confident | 87.1 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59 | -39.8 | 176.3 | -82.3 | 165.4 | 0 | 0 | 0 | 111.1 | F57 F81 V82 F87 Q88 Y89 D94 L101 W137 | F57-L85 HydrophobicContact CD2-CD1 4.17Å; F57-L85 HydrophobicContact CE2-CD1 3.77Å; F57-L85 HydrophobicContact CZ-CD1 4.31Å; F81-L85 PolarHBondContact O-N 2.92Å; V82-L85 PolarHBondContact O-N 2.85Å; L85-F87 VanDerWaalsContact C-N 3.33Å; L85-F87 PolarHBondContact O-N 3.3Å; L85-Q88 CarbonylContact O-C 3.59Å; L85-Y89 VanDerWaalsContact O-CA 3.29Å; L85-Y89 WeakPolarHBondContact O-CA 3.42Å; L85-Y89 VanDerWaalsContact O-CB 3.28Å; L85-Y89 WeakPolarHBondContact O-CB 3.29Å; L85-Y89 PolarHBondContact O-N 2.82Å; L85-D94 HydrophobicContact CD2-CB 4.16Å; L85-L101 HydrophobicContact CD1-CD2 3.65Å; L85-W137 HydrophobicContact CB-CH2 4.1Å |
| 86 | K | 87.8 | Confident | 87.3 | Confident | 79 Ų | 79 | 62.8 Ų | 62.8 | 34% | 0.343 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.4 | -37.5 | 173.9 | -179.4 | -179.5 | 179.6 | -145.5 | 0 | 113.5 | V82 K83 Y84 Q88 T134 W137 | V82-K86 WeakPolarHBondContact O-CB 3.33Å; V82-K86 PolarHBondContact O-N 2.85Å; K83-K86 PolarHBondContact O-N 2.88Å; Y84-K86 VanDerWaalsContact C-N 3.25Å; Y84-K86 PolarHBondContact O-N 3.49Å; K86-Q88 VanDerWaalsContact C-N 3.32Å; K86-Q88 PolarHBondContact O-N 3.06Å; K86-T134 HydrophobicContact CD-CG2 4.46Å; K86-W137 HydrophobicContact CB-CD2 3.69Å; K86-W137 HydrophobicContact CB-CE3 3.72Å; K86-W137 HydrophobicContact CB-CG 4.25Å; K86-W137 HydrophobicContact CB-CH2 4.27Å; K86-W137 HydrophobicContact CB-CZ2 4.26Å; K86-W137 HydrophobicContact CB-CZ3 3.99Å; K86-W137 HydrophobicContact CD-CB 3.85Å; K86-W137 HydrophobicContact CD-CD2 4.11Å; K86-W137 HydrophobicContact CD-CE3 4.48Å; K86-W137 HydrophobicContact CD-CG 3.8Å; K86-W137 HydrophobicContact CG-CB 4.27Å; K86-W137 HydrophobicContact CG-CD2 3.64Å; K86-W137 HydrophobicContact CG-CE3 4.14Å; K86-W137 HydrophobicContact CG-CG 3.65Å |
| 87 | F | 85.7 | Confident | 87.4 | Confident | 151 Ų | 151 | 61.9 Ų | 61.9 | 66% | 0.662 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.1 | -38.2 | -174.4 | 178.3 | -104.3 | 0 | 0 | 0 | 112.6 | K83 Y84 L85 | K83-F87 PolarHBondContact O-N 3.4Å; Y84-F87 WeakPolarHBondContact O-CB 3.05Å; Y84-F87 PolarHBondContact O-N 3.39Å; L85-F87 VanDerWaalsContact C-N 3.33Å; L85-F87 PolarHBondContact O-N 3.3Å |
| 88 | Q | 83.7 | Confident | 87.6 | Confident | 93 Ų | 93 | 59.8 Ų | 59.8 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.3 | 63.7 | 176.1 | -166.1 | 165.3 | -11.4 | 0 | 0 | 112.1 | I50 L85 K86 N90 | I50-Q88 VanDerWaalsContact CD1-CD 3.49Å; I50-Q88 HydrophobicContact CD1-CG 4.46Å; L85-Q88 CarbonylContact O-C 3.59Å; K86-Q88 VanDerWaalsContact C-N 3.32Å; K86-Q88 PolarHBondContact O-N 3.06Å; Q88-N90 PolarHBondContact O-N 2.73Å |
| 89 | Y | 87.3 | Confident | 87.8 | Confident | 50 Ų | 50 | 60.5 Ų | 60.5 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | trans | -68.7 | 124.4 | 175.2 | -174.5 | -110.9 | 0 | 0 | 0 | 110.9 | L85 D94 F98 W137 T141 H145 | L85-Y89 VanDerWaalsContact O-CA 3.29Å; L85-Y89 WeakPolarHBondContact O-CA 3.42Å; L85-Y89 VanDerWaalsContact O-CB 3.28Å; L85-Y89 WeakPolarHBondContact O-CB 3.29Å; L85-Y89 PolarHBondContact O-N 2.82Å; Y89-D94 HydrophobicContact CD2-CB 3.87Å; Y89-D94 HydrophobicContact CE2-CB 3.66Å; Y89-F98 HydrophobicContact CE2-CB 3.95Å; Y89-F98 HydrophobicContact CE2-CD2 4.02Å; Y89-F98 HydrophobicContact CE2-CG 4.17Å; Y89-W137 HydrophobicContact CD1-CZ2 4.4Å; Y89-W137 HydrophobicContact CD2-CH2 4.24Å; Y89-W137 HydrophobicContact CD2-CZ2 4.09Å; Y89-W137 HydrophobicContact CG-CH2 4.42Å; Y89-W137 AromaticContact CG-CZ2 3.81Å; Y89-W137 HydrophobicContact CG-CZ2 3.81Å; Y89-T141 HydrophobicContact CD1-CG2 4.3Å; Y89-T141 HydrophobicContact CE1-CG2 3.83Å; Y89-H145 AromaticContact CE1-NE2 3.57Å; Y89-H145 AromaticContact CZ-NE2 3.55Å; Y89-H145 PolarHBondContact OH-CE1 2.8Å; Y89-H145 PolarHBondContact OH-NE2 2.86Å | ||
| 90 | N | 86.6 | Confident | 87.8 | Confident | 65 Ų | 65 | 61.2 Ų | 61.2 | 35% | 0.348 | 28% | 0.279 | S | S | . | . | trans | -119.8 | 110.4 | 167.8 | -176.7 | -22.9 | 0 | 0 | 0 | 109.5 | Q88 K92 L93 D94 | Q88-N90 PolarHBondContact O-N 2.73Å; N90-K92 PolarHBondContact O-N 2.83Å; N90-K92 VanDerWaalsContact O-N 3.07Å; N90-K92 WeakPolarHBondContact OD1-CB 3.47Å; N90-K92 PolarHBondContact OD1-N 3.2Å; N90-L93 HydrophobicContact CB-CB 4.39Å; N90-L93 PolarHBondContact O-N 3.18Å; N90-D94 PolarHBondContact N-OD2 3.39Å; N90-D94 WeakPolarHBondContact O-CB 3.22Å; N90-D94 PolarHBondContact O-N 2.82Å | ||
| 91 | S | 85.7 | Confident | 87.9 | Confident | 57 Ų | 57 | 55.1 Ų | 55.1 | 40% | 0.399 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -47.7 | -40.8 | 179 | -175.2 | 0 | 0 | 0 | 0 | 113.1 | L93 Y95 H145 | S91-L93 VanDerWaalsContact C-N 3.31Å; S91-L93 PolarHBondContact O-N 3.32Å; S91-Y95 VanDerWaalsContact O-CB 3.24Å; S91-Y95 WeakPolarHBondContact O-CB 3.4Å; S91-Y95 PolarHBondContact O-N 2.95Å; S91-H145 PolarHBondContact OG-CE1 3.33Å |
| 92 | K | 86.5 | Confident | 88.1 | Confident | 195 Ų | 195 | 55.1 Ų | 55.1 | 85% | 0.848 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -68.5 | -25.8 | -178 | -64.3 | -174.7 | 177.4 | -176.1 | 0 | 114.5 | N90 | N90-K92 PolarHBondContact O-N 2.83Å; N90-K92 VanDerWaalsContact O-N 3.07Å; N90-K92 WeakPolarHBondContact OD1-CB 3.47Å; N90-K92 PolarHBondContact OD1-N 3.2Å |
| 93 | L | 85.7 | Confident | 88.1 | Confident | 97 Ų | 97 | 60.6 Ų | 60.6 | 51% | 0.508 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -109.5 | -29 | -174.1 | -63.4 | 177 | 0 | 0 | 0 | 112.8 | N90 S91 R97 | N90-L93 HydrophobicContact CB-CB 4.39Å; N90-L93 PolarHBondContact O-N 3.18Å; S91-L93 VanDerWaalsContact C-N 3.31Å; S91-L93 PolarHBondContact O-N 3.32Å; L93-R97 PolarHBondContact O-NH1 2.94Å; L93-R97 VanDerWaalsContact O-NH1 3.14Å |
| 94 | D | 88.8 | Confident | 88 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -111.1 | 0.1 | -167.7 | -58.9 | -50.8 | 0 | 0 | 0 | 112.7 | R54 L85 Y89 N90 E96 R97 F98 | R54-D94 IonicContact CZ-OD1 3.12Å; R54-D94 VanDerWaalsContact CZ-OD1 3.31Å; R54-D94 IonicContact CZ-OD2 2.77Å; R54-D94 IonicContact NE-OD1 2.69Å; R54-D94 PolarHBondContact NE-OD1 3.14Å; R54-D94 IonicContact NE-OD2 3.31Å; R54-D94 VanDerWaalsContact NH2-CG 3.34Å; R54-D94 IonicContact NH2-OD1 2.78Å; R54-D94 PolarHBondContact NH2-OD1 3.1Å; R54-D94 VanDerWaalsContact NH2-OD1 3.12Å; R54-D94 IonicContact NH2-OD2 3.88Å; R54-D94 PolarHBondContact NH2-OD2 2.86Å; L85-D94 HydrophobicContact CD2-CB 4.16Å; Y89-D94 HydrophobicContact CD2-CB 3.87Å; Y89-D94 HydrophobicContact CE2-CB 3.66Å; N90-D94 PolarHBondContact N-OD2 3.39Å; N90-D94 WeakPolarHBondContact O-CB 3.22Å; N90-D94 PolarHBondContact O-N 2.82Å; D94-E96 PolarHBondContact O-N 2.84Å; D94-R97 PolarHBondContact O-N 2.68Å; D94-F98 VanDerWaalsContact O-CB 3.31Å; D94-F98 WeakPolarHBondContact O-CB 3.38Å; D94-F98 PolarHBondContact O-N 3.44Å |
| 95 | Y | 90.1 | Very high | 88.2 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 21% | 0.212 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.9 | -48.8 | -179.5 | -177.1 | -111.6 | 0 | 0 | 0 | 112.8 | S91 R97 F98 L99 H145 L149 F163 | S91-Y95 VanDerWaalsContact O-CB 3.24Å; S91-Y95 WeakPolarHBondContact O-CB 3.4Å; S91-Y95 PolarHBondContact O-N 2.95Å; Y95-R97 PolarHBondContact O-N 3.33Å; Y95-F98 CarbonylContact O-C 3.59Å; Y95-F98 WeakPolarHBondContact O-CA 3.33Å; Y95-F98 VanDerWaalsContact O-CB 3.31Å; Y95-F98 WeakPolarHBondContact O-CB 3.49Å; Y95-F98 PolarHBondContact O-N 3.03Å; Y95-F98 VanDerWaalsContact O-N 3.08Å; Y95-L99 HydrophobicContact CD1-CD1 4.08Å; Y95-L99 HydrophobicContact CD1-CG 4.37Å; Y95-L99 HydrophobicContact CE1-CD1 3.62Å; Y95-L99 HydrophobicContact CE1-CD2 4.46Å; Y95-L99 HydrophobicContact CE1-CG 4.11Å; Y95-L99 HydrophobicContact CE2-CD2 4.19Å; Y95-L99 HydrophobicContact CE2-CG 4.42Å; Y95-L99 WeakPolarHBondContact O-CG 3.5Å; Y95-L99 PolarHBondContact O-N 3.4Å; Y95-H145 HydrophobicContact CE2-CB 4.24Å; Y95-H145 AromaticContact CE2-CG 3.93Å; Y95-H145 AromaticContact CE2-ND1 3.95Å; Y95-L149 WeakPolarHBondContact OH-CD2 3.22Å; Y95-F163 HydrophobicContact CE2-CZ 4.48Å |
| 96 | E | 88.5 | Confident | 88.4 | Confident | 123 Ų | 123 | 56.3 Ų | 56.3 | 58% | 0.575 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.7 | -42.5 | 177.1 | -67.6 | -56.4 | 142.8 | 0 | 0 | 112.4 | D94 F98 L99 V100 | D94-E96 PolarHBondContact O-N 2.84Å; E96-F98 VanDerWaalsContact C-N 3.26Å; E96-F98 PolarHBondContact O-N 3.25Å; E96-L99 PolarHBondContact O-N 2.89Å; E96-V100 WeakPolarHBondContact O-CB 3.48Å; E96-V100 WeakPolarHBondContact O-CG2 3.37Å; E96-V100 PolarHBondContact O-N 2.82Å |
| 97 | R | 88.6 | Confident | 88.3 | Confident | 50 Ų | 50 | 55 Ų | 55 | 19% | 0.189 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -37.1 | 174.3 | -69.2 | -176.8 | -178.2 | 76.2 | 9.6 | 111.3 | F57 D58 L93 D94 Y95 L101 | F57-R97 HydrophobicContact CD1-CB 4.08Å; F57-R97 HydrophobicContact CD1-CG 3.82Å; F57-R97 HydrophobicContact CE1-CB 3.57Å; F57-R97 HydrophobicContact CE1-CG 3.7Å; F57-R97 HydrophobicContact CZ-CB 4.09Å; F57-R97 WeakPolarHBondContact CZ-O 3.41Å; D58-R97 IonicContact OD1-CZ 3.59Å; D58-R97 IonicContact OD1-NE 3.74Å; D58-R97 PolarHBondContact OD1-NE 2.68Å; D58-R97 IonicContact OD1-NH2 2.87Å; D58-R97 PolarHBondContact OD1-NH2 2.91Å; D58-R97 IonicContact OD2-CZ 3.33Å; D58-R97 IonicContact OD2-NE 2.72Å; D58-R97 IonicContact OD2-NH2 3.24Å; D58-R97 PolarHBondContact OD2-NH2 2.9Å; L93-R97 PolarHBondContact O-NH1 2.94Å; L93-R97 VanDerWaalsContact O-NH1 3.14Å; D94-R97 PolarHBondContact O-N 2.68Å; Y95-R97 PolarHBondContact O-N 3.33Å; R97-L101 VanDerWaalsContact O-CB 3.26Å; R97-L101 WeakPolarHBondContact O-CB 3.42Å; R97-L101 PolarHBondContact O-N 2.73Å |
| 98 | F | 92.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.4 | -44.5 | 176.7 | -174.2 | -97.9 | 0 | 0 | 0 | 111.7 | Y89 D94 Y95 E96 V100 L101 I102 W137 L138 T141 V142 H145 F163 | Y89-F98 HydrophobicContact CE2-CB 3.95Å; Y89-F98 HydrophobicContact CE2-CD2 4.02Å; Y89-F98 HydrophobicContact CE2-CG 4.17Å; D94-F98 VanDerWaalsContact O-CB 3.31Å; D94-F98 WeakPolarHBondContact O-CB 3.38Å; D94-F98 PolarHBondContact O-N 3.44Å; Y95-F98 CarbonylContact O-C 3.59Å; Y95-F98 WeakPolarHBondContact O-CA 3.33Å; Y95-F98 VanDerWaalsContact O-CB 3.31Å; Y95-F98 WeakPolarHBondContact O-CB 3.49Å; Y95-F98 PolarHBondContact O-N 3.03Å; Y95-F98 VanDerWaalsContact O-N 3.08Å; E96-F98 VanDerWaalsContact C-N 3.26Å; E96-F98 PolarHBondContact O-N 3.25Å; F98-V100 VanDerWaalsContact C-N 3.34Å; F98-V100 PolarHBondContact O-N 3.16Å; F98-L101 WeakPolarHBondContact O-CB 3.44Å; F98-L101 PolarHBondContact O-N 2.9Å; F98-I102 HydrophobicContact CD1-CG1 4.1Å; F98-I102 HydrophobicContact CE1-CD1 4.24Å; F98-I102 HydrophobicContact CE1-CG1 3.77Å; F98-I102 HydrophobicContact CE2-CD1 4.33Å; F98-I102 HydrophobicContact CE2-CG1 4.48Å; F98-I102 HydrophobicContact CZ-CD1 3.94Å; F98-I102 HydrophobicContact CZ-CG1 3.98Å; F98-I102 WeakPolarHBondContact O-CG1 3.26Å; F98-I102 PolarHBondContact O-N 3.38Å; F98-W137 HydrophobicContact CD2-CH2 4.32Å; F98-W137 HydrophobicContact CE2-CH2 4.13Å; F98-W137 HydrophobicContact CE2-CZ3 4.4Å; F98-L138 HydrophobicContact CE2-CD2 3.81Å; F98-L138 HydrophobicContact CZ-CD2 4.43Å; F98-T141 HydrophobicContact CD2-CG2 4.34Å; F98-T141 HydrophobicContact CE1-CG2 4.11Å; F98-T141 HydrophobicContact CE2-CG2 3.66Å; F98-T141 HydrophobicContact CZ-CG2 3.53Å; F98-V142 HydrophobicContact CE1-CG2 3.87Å; F98-V142 HydrophobicContact CZ-CG2 3.72Å; F98-H145 AromaticContact CD1-CD2 3.97Å; F98-H145 AromaticContact CE1-CD2 3.75Å; F98-F163 HydrophobicContact CD1-CE1 4.27Å; F98-F163 HydrophobicContact CD1-CZ 4.36Å; F98-F163 AromaticContact CE1-CE1 3.96Å; F98-F163 HydrophobicContact CE1-CE1 3.96Å; F98-F163 HydrophobicContact CE1-CZ 4.18Å |
| 99 | L | 90.8 | Very high | 88.3 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 174.8 | -67.5 | -174.2 | 0 | 0 | 0 | 111.8 | Y95 E96 L101 I102 R103 V159 F163 | Y95-L99 HydrophobicContact CD1-CD1 4.08Å; Y95-L99 HydrophobicContact CD1-CG 4.37Å; Y95-L99 HydrophobicContact CE1-CD1 3.62Å; Y95-L99 HydrophobicContact CE1-CD2 4.46Å; Y95-L99 HydrophobicContact CE1-CG 4.11Å; Y95-L99 HydrophobicContact CE2-CD2 4.19Å; Y95-L99 HydrophobicContact CE2-CG 4.42Å; Y95-L99 WeakPolarHBondContact O-CG 3.5Å; Y95-L99 PolarHBondContact O-N 3.4Å; E96-L99 PolarHBondContact O-N 2.89Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L99-I102 PolarHBondContact O-N 3.13Å; L99-R103 WeakPolarHBondContact O-CB 3.24Å; L99-R103 PolarHBondContact O-N 3.01Å; L99-V159 HydrophobicContact CD1-CG1 4.48Å; L99-V159 HydrophobicContact CD1-CG2 3.88Å; L99-V159 HydrophobicContact CD2-CB 4.48Å; L99-V159 HydrophobicContact CD2-CG1 3.45Å; L99-V159 VanDerWaalsContact CD2-CG1 3.45Å; L99-V159 HydrophobicContact CD2-CG2 4.24Å; L99-F163 HydrophobicContact CD2-CE1 3.62Å; L99-F163 HydrophobicContact CD2-CE2 4.36Å; L99-F163 HydrophobicContact CD2-CZ 3.39Å |
| 100 | V | 88.8 | Confident | 87.8 | Confident | 20 Ų | 20 | 46.9 Ų | 46.9 | 12% | 0.121 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 175.2 | 162.3 | 0 | 0 | 0 | 0 | 110.9 | F57 I61 L62 N65 E96 F98 I102 R103 Y104 | F57-V100 HydrophobicContact CE1-CG1 4.42Å; F57-V100 HydrophobicContact CZ-CG1 4.37Å; I61-V100 HydrophobicContact CG2-CG1 3.65Å; L62-V100 HydrophobicContact CD1-CB 4.43Å; L62-V100 HydrophobicContact CD1-CG1 4.41Å; L62-V100 HydrophobicContact CD1-CG2 4Å; N65-V100 WeakPolarHBondContact ND2-CG1 3.5Å; E96-V100 WeakPolarHBondContact O-CB 3.48Å; E96-V100 WeakPolarHBondContact O-CG2 3.37Å; E96-V100 PolarHBondContact O-N 2.82Å; F98-V100 VanDerWaalsContact C-N 3.34Å; F98-V100 PolarHBondContact O-N 3.16Å; V100-I102 PolarHBondContact O-N 2.79Å; V100-R103 PolarHBondContact O-N 2.96Å; V100-Y104 VanDerWaalsContact O-CB 3.3Å; V100-Y104 WeakPolarHBondContact O-CB 3.26Å; V100-Y104 PolarHBondContact O-N 3.42Å |
| 101 | L | 90.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.9 | -46.3 | 176.9 | 175.7 | 68.3 | 0 | 0 | 0 | 112 | F57 L78 V82 L85 R97 F98 L99 Y104 I105 L138 | F57-L101 HydrophobicContact CE2-CB 4.35Å; F57-L101 HydrophobicContact CE2-CD1 4.35Å; F57-L101 HydrophobicContact CZ-CB 4.14Å; L78-L101 HydrophobicContact CD1-CD1 3.74Å; V82-L101 HydrophobicContact CG2-CD1 3.94Å; V82-L101 HydrophobicContact CG2-CD2 4.07Å; V82-L101 HydrophobicContact CG2-CG 4.48Å; L85-L101 HydrophobicContact CD1-CD2 3.65Å; R97-L101 VanDerWaalsContact O-CB 3.26Å; R97-L101 WeakPolarHBondContact O-CB 3.42Å; R97-L101 PolarHBondContact O-N 2.73Å; F98-L101 WeakPolarHBondContact O-CB 3.44Å; F98-L101 PolarHBondContact O-N 2.9Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L101-Y104 WeakPolarHBondContact O-CB 3.45Å; L101-Y104 PolarHBondContact O-N 3.43Å; L101-I105 HydrophobicContact CD1-CD1 4.08Å; L101-I105 HydrophobicContact CD1-CG1 4.33Å; L101-I105 HydrophobicContact CG-CD1 3.93Å; L101-I105 VanDerWaalsContact O-CG1 3.3Å; L101-I105 WeakPolarHBondContact O-CG1 3.32Å; L101-I105 PolarHBondContact O-N 3.05Å; L101-L138 HydrophobicContact CD2-CD2 4.15Å |
| 102 | I | 92.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.4 | -43.2 | 179.7 | -64.4 | -60.1 | 0 | 0 | 0 | 110.7 | F98 L99 V100 Y104 I105 V106 L138 V142 L162 F163 F166 | F98-I102 HydrophobicContact CD1-CG1 4.1Å; F98-I102 HydrophobicContact CE1-CD1 4.24Å; F98-I102 HydrophobicContact CE1-CG1 3.77Å; F98-I102 HydrophobicContact CE2-CD1 4.33Å; F98-I102 HydrophobicContact CE2-CG1 4.48Å; F98-I102 HydrophobicContact CZ-CD1 3.94Å; F98-I102 HydrophobicContact CZ-CG1 3.98Å; F98-I102 WeakPolarHBondContact O-CG1 3.26Å; F98-I102 PolarHBondContact O-N 3.38Å; L99-I102 PolarHBondContact O-N 3.13Å; V100-I102 PolarHBondContact O-N 2.79Å; I102-Y104 VanDerWaalsContact C-N 3.29Å; I102-Y104 PolarHBondContact O-N 3.34Å; I102-I105 PolarHBondContact O-N 2.82Å; I102-V106 HydrophobicContact CG2-CG2 4.49Å; I102-V106 WeakPolarHBondContact O-CG2 3.49Å; I102-V106 PolarHBondContact O-N 3.49Å; I102-L138 HydrophobicContact CD1-CD2 4.06Å; I102-V142 HydrophobicContact CD1-CG2 3.7Å; I102-V142 HydrophobicContact CG1-CG2 4.09Å; I102-L162 HydrophobicContact CG2-CD1 4.14Å; I102-L162 HydrophobicContact CG2-CD2 4.45Å; I102-L162 HydrophobicContact CG2-CG 4.01Å; I102-F163 HydrophobicContact CG1-CE1 4.23Å; I102-F163 HydrophobicContact CG2-CD1 4.16Å; I102-F166 HydrophobicContact CD1-CD2 4.18Å; I102-F166 HydrophobicContact CD1-CE2 4.16Å; I102-F166 HydrophobicContact CD1-CG 4.39Å; I102-F166 HydrophobicContact CD1-CZ 4.36Å; I102-F166 HydrophobicContact CG2-CB 3.66Å; I102-F166 HydrophobicContact CG2-CD2 4.08Å; I102-F166 HydrophobicContact CG2-CG 3.9Å |
| 103 | R | 90.1 | Very high | 86.7 | Confident | 116 Ų | 116 | 40 Ų | 40 | 44% | 0.438 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.6 | -43.1 | 173.6 | -173 | 178.7 | -63.8 | 170.3 | 3.3 | 111.8 | L99 V100 V106 N107 L162 | L99-R103 WeakPolarHBondContact O-CB 3.24Å; L99-R103 PolarHBondContact O-N 3.01Å; V100-R103 PolarHBondContact O-N 2.96Å; R103-V106 PolarHBondContact O-N 2.64Å; R103-N107 WeakPolarHBondContact O-CB 3.34Å; R103-N107 VanDerWaalsContact O-CG 3.27Å; R103-N107 PolarHBondContact O-N 3.48Å; R103-L162 HydrophobicContact CB-CD1 3.93Å; R103-L162 HydrophobicContact CB-CD2 3.97Å; R103-L162 HydrophobicContact CG-CD1 4.35Å |
| 104 | Y | 88 | Confident | 86.3 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 177 | -161.7 | -85.3 | 0 | 0 | 0 | 112 | I61 V69 L72 I73 L78 V100 L101 I102 N107 S108 | I61-Y104 HydrophobicContact CG2-CD2 3.92Å; I61-Y104 HydrophobicContact CG2-CE2 4.32Å; I61-Y104 HydrophobicContact CG2-CG 4.34Å; V69-Y104 HydrophobicContact CG1-CD2 4.31Å; V69-Y104 HydrophobicContact CG1-CE2 3.99Å; L72-Y104 WeakPolarHBondContact CA-OH 3.39Å; L72-Y104 HydrophobicContact CD2-CD1 4.21Å; L72-Y104 HydrophobicContact CD2-CD2 4.47Å; L72-Y104 HydrophobicContact CD2-CE1 3.66Å; L72-Y104 HydrophobicContact CD2-CE2 3.96Å; I73-Y104 HydrophobicContact CG1-CE1 4.1Å; I73-Y104 WeakPolarHBondContact CG1-OH 3.37Å; I73-Y104 PolarHBondContact N-OH 2.94Å; L78-Y104 HydrophobicContact CD1-CD1 3.69Å; L78-Y104 HydrophobicContact CD1-CE1 3.95Å; L78-Y104 HydrophobicContact CD2-CD1 3.91Å; L78-Y104 HydrophobicContact CD2-CE1 4.08Å; L78-Y104 HydrophobicContact CG-CD1 4.44Å; V100-Y104 VanDerWaalsContact O-CB 3.3Å; V100-Y104 WeakPolarHBondContact O-CB 3.26Å; V100-Y104 PolarHBondContact O-N 3.42Å; L101-Y104 WeakPolarHBondContact O-CB 3.45Å; L101-Y104 PolarHBondContact O-N 3.43Å; I102-Y104 VanDerWaalsContact C-N 3.29Å; I102-Y104 PolarHBondContact O-N 3.34Å; Y104-N107 PolarHBondContact O-N 2.91Å; Y104-S108 WeakPolarHBondContact O-CB 3.44Å; Y104-S108 PolarHBondContact O-N 3.27Å |
| 105 | I | 89.6 | Confident | 86 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -48.5 | 178.1 | -69.9 | 166.9 | 0 | 0 | 0 | 110.5 | L78 V82 L101 I102 N107 S108 V109 Y118 L138 F166 H170 | L78-I105 HydrophobicContact CD2-CG1 4.19Å; V82-I105 HydrophobicContact CG2-CD1 4.28Å; L101-I105 HydrophobicContact CD1-CD1 4.08Å; L101-I105 HydrophobicContact CD1-CG1 4.33Å; L101-I105 HydrophobicContact CG-CD1 3.93Å; L101-I105 VanDerWaalsContact O-CG1 3.3Å; L101-I105 WeakPolarHBondContact O-CG1 3.32Å; L101-I105 PolarHBondContact O-N 3.05Å; I102-I105 PolarHBondContact O-N 2.82Å; I105-N107 PolarHBondContact O-N 2.88Å; I105-S108 WeakPolarHBondContact O-CB 3.31Å; I105-S108 PolarHBondContact O-N 3.19Å; I105-S108 VanDerWaalsContact O-N 3.16Å; I105-S108 PolarHBondContact O-OG 3.33Å; I105-V109 PolarHBondContact O-N 3.47Å; I105-Y118 HydrophobicContact CG1-CD1 4.48Å; I105-Y118 HydrophobicContact CG1-CG 4.33Å; I105-Y118 HydrophobicContact CG2-CD1 3.63Å; I105-Y118 HydrophobicContact CG2-CE1 4.37Å; I105-Y118 HydrophobicContact CG2-CG 3.98Å; I105-L138 HydrophobicContact CD1-CD1 3.61Å; I105-F166 HydrophobicContact CG2-CD2 4.08Å; I105-F166 HydrophobicContact CG2-CE2 3.9Å; I105-H170 WeakPolarHBondContact CG2-NE2 3.43Å |
| 106 | V | 88.4 | Confident | 85.7 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 7% | 0.073 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.1 | -52.5 | 177.6 | 168.7 | 0 | 0 | 0 | 0 | 110.7 | I102 R103 S108 V109 D110 L162 F166 I169 | I102-V106 HydrophobicContact CG2-CG2 4.49Å; I102-V106 WeakPolarHBondContact O-CG2 3.49Å; I102-V106 PolarHBondContact O-N 3.49Å; R103-V106 PolarHBondContact O-N 2.64Å; V106-S108 VanDerWaalsContact C-N 3.27Å; V106-S108 PolarHBondContact O-N 3.01Å; V106-V109 PolarHBondContact O-N 2.65Å; V106-V109 VanDerWaalsContact O-N 3.07Å; V106-D110 PolarHBondContact O-N 3.1Å; V106-L162 HydrophobicContact CG2-CD1 4.23Å; V106-F166 HydrophobicContact CG2-CB 3.74Å; V106-F166 HydrophobicContact CG2-CD2 4.4Å; V106-I169 HydrophobicContact CG1-CD1 3.79Å |
| 107 | N | 86 | Confident | 85.6 | Confident | 52 Ų | 52 | 39.3 Ų | 39.3 | 28% | 0.278 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.2 | -33 | 178.8 | -69.1 | -5 | 0 | 0 | 0 | 112.8 | V69 R103 Y104 I105 V109 D110 T111 | V69-N107 VanDerWaalsContact CG2-ND2 3.33Å; V69-N107 WeakPolarHBondContact CG2-ND2 3.26Å; R103-N107 WeakPolarHBondContact O-CB 3.34Å; R103-N107 VanDerWaalsContact O-CG 3.27Å; R103-N107 PolarHBondContact O-N 3.48Å; Y104-N107 PolarHBondContact O-N 2.91Å; I105-N107 PolarHBondContact O-N 2.88Å; N107-V109 PolarHBondContact O-N 3.4Å; N107-D110 PolarHBondContact O-N 3.25Å; N107-T111 PolarHBondContact O-N 3.27Å |
| 108 | S | 86.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.2 | -28.3 | 177.4 | 80.5 | 0 | 0 | 0 | 0 | 112.7 | Y104 I105 V106 T111 S117 Y118 | Y104-S108 WeakPolarHBondContact O-CB 3.44Å; Y104-S108 PolarHBondContact O-N 3.27Å; I105-S108 WeakPolarHBondContact O-CB 3.31Å; I105-S108 PolarHBondContact O-N 3.19Å; I105-S108 VanDerWaalsContact O-N 3.16Å; I105-S108 PolarHBondContact O-OG 3.33Å; V106-S108 VanDerWaalsContact C-N 3.27Å; V106-S108 PolarHBondContact O-N 3.01Å; S108-T111 PolarHBondContact O-OG1 3.36Å; S108-S117 WeakPolarHBondContact O-CA 3.43Å; S108-S117 VanDerWaalsContact O-CB 3.28Å; S108-S117 WeakPolarHBondContact O-CB 3.49Å; S108-S117 PolarHBondContact O-OG 2.76Å; S108-Y118 WeakPolarHBondContact OG-CB 3.33Å; S108-Y118 PolarHBondContact OG-N 3.43Å; S108-Y118 VanDerWaalsContact OG-N 3.13Å |
| 109 | V | 83.6 | Confident | 85.3 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -75.9 | -39.2 | 178.3 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | I105 V106 N107 T111 G112 V119 I169 | I105-V109 PolarHBondContact O-N 3.47Å; V106-V109 PolarHBondContact O-N 2.65Å; V106-V109 VanDerWaalsContact O-N 3.07Å; N107-V109 PolarHBondContact O-N 3.4Å; V109-T111 PolarHBondContact O-N 3.07Å; V109-G112 PolarHBondContact O-N 3.04Å; V109-V119 HydrophobicContact CG1-CG2 4.12Å; V109-V119 HydrophobicContact CG2-CG2 3.62Å; V109-I169 HydrophobicContact CB-CG2 4.03Å; V109-I169 HydrophobicContact CG1-CG2 3.66Å; V109-I169 HydrophobicContact CG2-CG2 4.14Å |
| 110 | D | 77 | Confident | 85 | Confident | 117 Ų | 117 | 36.2 Ų | 36.2 | 63% | 0.626 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -63.7 | -25.6 | -179.3 | -68.5 | -20.2 | 0 | 0 | 0 | 113.4 | V106 N107 G112 | V106-D110 PolarHBondContact O-N 3.1Å; N107-D110 PolarHBondContact O-N 3.25Å; D110-G112 VanDerWaalsContact C-N 3.27Å; D110-G112 PolarHBondContact O-N 3.48Å |
| 111 | T | 80.3 | Confident | 84.8 | Confident | 73 Ų | 73 | 35.3 Ų | 35.3 | 45% | 0.448 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.8 | 179 | 62.2 | 0 | 0 | 0 | 0 | 114.1 | L72 N107 S108 V109 D113 | L72-T111 HydrophobicContact CD1-CG2 3.4Å; L72-T111 VanDerWaalsContact CD1-CG2 3.4Å; N107-T111 PolarHBondContact O-N 3.27Å; S108-T111 PolarHBondContact O-OG1 3.36Å; V109-T111 PolarHBondContact O-N 3.07Å; T111-D113 PolarHBondContact O-N 3.48Å |
| 112 | G | 73.9 | Confident | 84.6 | Confident | 26 Ų | 26 | 35.5 Ų | 35.5 | 27% | 0.268 | 18% | 0.18 | S | C | . | . | trans | 63.1 | 8.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | V109 D110 S177 L178 | V109-G112 PolarHBondContact O-N 3.04Å; D110-G112 VanDerWaalsContact C-N 3.27Å; D110-G112 PolarHBondContact O-N 3.48Å; G112-S177 WeakPolarHBondContact CA-OG 3.11Å; G112-L178 WeakPolarHBondContact O-CD2 3.49Å | ||
| 113 | D | 80.9 | Confident | 84.1 | Confident | 73 Ų | 73 | 37.8 Ų | 37.8 | 39% | 0.39 | 19% | 0.192 | S | C | . | . | trans | -87.3 | 123.5 | 179.9 | 176 | 1.8 | 0 | 0 | 0 | 111 | T111 K115 V116 S117 | T111-D113 PolarHBondContact O-N 3.48Å; D113-K115 PolarHBondContact O-N 2.89Å; D113-K115 VanDerWaalsContact O-N 3.14Å; D113-K115 PolarHBondContact OD1-N 2.97Å; D113-V116 HydrophobicContact CB-CG2 3.68Å; D113-V116 VanDerWaalsContact CG-CG2 3.41Å; D113-V116 PolarHBondContact O-N 3.36Å; D113-V116 WeakPolarHBondContact OD2-CG2 3.28Å; D113-S117 WeakPolarHBondContact O-CB 3.24Å; D113-S117 PolarHBondContact O-N 3.39Å | ||
| 114 | F | 78.7 | Confident | 83.9 | Confident | 93 Ų | 93 | 35.2 Ų | 35.2 | 41% | 0.408 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -22.1 | -179.6 | -168.3 | -86.6 | 0 | 0 | 0 | 113.5 | S120 L123 R124 L178 | F114-S120 WeakPolarHBondContact O-CB 3.21Å; F114-S120 PolarHBondContact O-OG 3.35Å; F114-L123 HydrophobicContact CD2-CD1 4.04Å; F114-L123 HydrophobicContact CE2-CB 3.93Å; F114-L123 HydrophobicContact CE2-CD1 3.49Å; F114-L123 VanDerWaalsContact CE2-CD1 3.49Å; F114-L123 HydrophobicContact CE2-CG 4.3Å; F114-L123 HydrophobicContact CZ-CB 4.15Å; F114-R124 HydrophobicContact CE1-CG 4.48Å; F114-R124 HydrophobicContact CZ-CG 4.35Å; F114-R124 PolarHBondContact O-NH2 3Å; F114-L178 HydrophobicContact CB-CD2 3.95Å; F114-L178 HydrophobicContact CD2-CD2 4.17Å |
| 115 | K | 81.3 | Confident | 83.6 | Confident | 152 Ų | 152 | 44.4 Ų | 44.4 | 66% | 0.661 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -32.1 | 179.9 | -70.4 | -177.6 | -179.4 | 175.7 | 0 | 113.1 | A75 D113 | A75-K115 PolarHBondContact N-O 3.35Å; D113-K115 PolarHBondContact O-N 2.89Å; D113-K115 VanDerWaalsContact O-N 3.14Å; D113-K115 PolarHBondContact OD1-N 2.97Å |
| 116 | V | 84.4 | Confident | 83.5 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -27.4 | -165.6 | -111.5 | 0 | 0 | 0 | 0 | 112.9 | L72 I73 D113 Y118 | L72-V116 HydrophobicContact CB-CB 3.96Å; L72-V116 HydrophobicContact CB-CG1 3.3Å; L72-V116 HydrophobicContact CD1-CB 4.35Å; L72-V116 WeakPolarHBondContact O-CG1 3.34Å; I73-V116 WeakPolarHBondContact O-CG1 3.13Å; D113-V116 HydrophobicContact CB-CG2 3.68Å; D113-V116 VanDerWaalsContact CG-CG2 3.41Å; D113-V116 PolarHBondContact O-N 3.36Å; D113-V116 WeakPolarHBondContact OD2-CG2 3.28Å; V116-Y118 PolarHBondContact O-N 3.22Å |
| 117 | S | 86.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -63.1 | 126.9 | 178.7 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | A75 S108 D113 V119 S120 L178 | A75-S117 WeakPolarHBondContact CB-O 3.41Å; S108-S117 WeakPolarHBondContact O-CA 3.43Å; S108-S117 VanDerWaalsContact O-CB 3.28Å; S108-S117 WeakPolarHBondContact O-CB 3.49Å; S108-S117 PolarHBondContact O-OG 2.76Å; D113-S117 WeakPolarHBondContact O-CB 3.24Å; D113-S117 PolarHBondContact O-N 3.39Å; S117-V119 PolarHBondContact O-N 3.05Å; S117-V119 PolarHBondContact OG-N 3.4Å; S117-S120 VanDerWaalsContact O-CB 3.28Å; S117-S120 WeakPolarHBondContact O-CB 3.29Å; S117-S120 PolarHBondContact O-N 3.1Å; S117-S120 PolarHBondContact O-OG 3.11Å; S117-L178 VanDerWaalsContact CB-CD1 3.45Å; S117-L178 WeakPolarHBondContact OG-CD1 3.39Å | ||
| 118 | Y | 87.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -59.3 | -31.3 | 177.5 | -173.8 | -114.1 | 0 | 0 | 0 | 112.7 | L78 L79 V82 I105 S108 V116 S120 L121 W131 T134 T135 L138 H170 | L78-Y118 HydrophobicContact CD2-CD2 3.85Å; L78-Y118 HydrophobicContact CD2-CG 4.32Å; L78-Y118 HydrophobicContact CG-CD2 4.16Å; L79-Y118 HydrophobicContact CD1-CE2 4.39Å; V82-Y118 HydrophobicContact CG2-CE2 4.18Å; I105-Y118 HydrophobicContact CG1-CD1 4.48Å; I105-Y118 HydrophobicContact CG1-CG 4.33Å; I105-Y118 HydrophobicContact CG2-CD1 3.63Å; I105-Y118 HydrophobicContact CG2-CE1 4.37Å; I105-Y118 HydrophobicContact CG2-CG 3.98Å; S108-Y118 WeakPolarHBondContact OG-CB 3.33Å; S108-Y118 PolarHBondContact OG-N 3.43Å; S108-Y118 VanDerWaalsContact OG-N 3.13Å; V116-Y118 PolarHBondContact O-N 3.22Å; Y118-S120 VanDerWaalsContact C-N 3.31Å; Y118-S120 PolarHBondContact O-N 3.18Å; Y118-L121 HydrophobicContact CD2-CD1 3.7Å; Y118-L121 HydrophobicContact CE2-CD1 3.82Å; Y118-L121 WeakPolarHBondContact O-CB 3.43Å; Y118-L121 WeakPolarHBondContact O-CG 3.43Å; Y118-L121 PolarHBondContact O-N 3.37Å; Y118-W131 AromaticContact CD1-NE1 3.48Å; Y118-W131 AromaticContact CE1-CD1 3.74Å; Y118-W131 AromaticContact CE1-NE1 3.19Å; Y118-W131 AromaticContact CE2-CD1 3.85Å; Y118-W131 AromaticContact CZ-CD1 3.51Å; Y118-W131 AromaticContact CZ-NE1 3.51Å; Y118-W131 PolarHBondContact O-NE1 2.96Å; Y118-W131 VanDerWaalsContact O-NE1 3.16Å; Y118-T134 PolarHBondContact OH-OG1 3.2Å; Y118-T135 PolarHBondContact OH-OG1 2.89Å; Y118-L138 HydrophobicContact CE1-CD1 4.27Å; Y118-H170 AromaticContact CD1-CE1 3.87Å |
| 119 | V | 85.8 | Confident | 83.7 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -69.2 | -28.1 | 178.1 | 171.2 | 0 | 0 | 0 | 0 | 112.1 | V109 S117 L121 A122 W176 | V109-V119 HydrophobicContact CG1-CG2 4.12Å; V109-V119 HydrophobicContact CG2-CG2 3.62Å; S117-V119 PolarHBondContact O-N 3.05Å; S117-V119 PolarHBondContact OG-N 3.4Å; V119-L121 PolarHBondContact O-N 2.96Å; V119-A122 VanDerWaalsContact O-CB 3.25Å; V119-A122 WeakPolarHBondContact O-CB 3.31Å; V119-A122 PolarHBondContact O-N 3.08Å; V119-W176 HydrophobicContact CB-CD2 4.45Å; V119-W176 HydrophobicContact CG1-CB 4.04Å; V119-W176 HydrophobicContact CG1-CD2 3.34Å; V119-W176 HydrophobicContact CG1-CE3 3.37Å; V119-W176 HydrophobicContact CG1-CG 3.63Å; V119-W176 HydrophobicContact CG1-CZ3 3.99Å; V119-W176 HydrophobicContact CG2-CD2 4.25Å; V119-W176 HydrophobicContact CG2-CG 4.32Å |
| 120 | S | 84.2 | Confident | 84 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -58.6 | -22.9 | 178.1 | 73.8 | 0 | 0 | 0 | 0 | 113.4 | F114 S117 Y118 A122 L123 | F114-S120 WeakPolarHBondContact O-CB 3.21Å; F114-S120 PolarHBondContact O-OG 3.35Å; S117-S120 VanDerWaalsContact O-CB 3.28Å; S117-S120 WeakPolarHBondContact O-CB 3.29Å; S117-S120 PolarHBondContact O-N 3.1Å; S117-S120 PolarHBondContact O-OG 3.11Å; Y118-S120 VanDerWaalsContact C-N 3.31Å; Y118-S120 PolarHBondContact O-N 3.18Å; S120-A122 PolarHBondContact O-N 3.15Å; S120-L123 WeakPolarHBondContact O-CB 3.24Å; S120-L123 PolarHBondContact O-N 3.39Å |
| 121 | L | 86.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -65.4 | -25 | 176.7 | -64.1 | 170.9 | 0 | 0 | 0 | 112.9 | A75 T76 L79 Y118 V119 L123 R124 T127 W131 | A75-L121 HydrophobicContact CB-CD1 4.25Å; A75-L121 HydrophobicContact CB-CD2 3.88Å; A75-L121 HydrophobicContact CB-CG 3.87Å; A75-L121 WeakPolarHBondContact O-CD1 3.38Å; T76-L121 HydrophobicContact CG2-CD2 4.05Å; L79-L121 HydrophobicContact CB-CD1 3.83Å; L79-L121 HydrophobicContact CD1-CD1 4.42Å; L79-L121 HydrophobicContact CD2-CD1 4.25Å; L79-L121 HydrophobicContact CG-CD1 4.38Å; Y118-L121 HydrophobicContact CD2-CD1 3.7Å; Y118-L121 HydrophobicContact CE2-CD1 3.82Å; Y118-L121 WeakPolarHBondContact O-CB 3.43Å; Y118-L121 WeakPolarHBondContact O-CG 3.43Å; Y118-L121 PolarHBondContact O-N 3.37Å; V119-L121 PolarHBondContact O-N 2.96Å; L121-L123 PolarHBondContact O-N 2.97Å; L121-R124 PolarHBondContact O-N 3.34Å; L121-T127 HydrophobicContact CD2-CG2 4.26Å; L121-T127 PolarHBondContact O-OG1 2.94Å; L121-W131 HydrophobicContact CB-CB 4.1Å; L121-W131 HydrophobicContact CB-CG 3.86Å |
| 122 | A | 84.3 | Confident | 85.2 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.033 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -68.1 | -25.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V119 S120 R124 L128 W131 M188 | V119-A122 VanDerWaalsContact O-CB 3.25Å; V119-A122 WeakPolarHBondContact O-CB 3.31Å; V119-A122 PolarHBondContact O-N 3.08Å; S120-A122 PolarHBondContact O-N 3.15Å; A122-R124 VanDerWaalsContact C-N 3.31Å; A122-L128 HydrophobicContact CB-CD1 4.39Å; A122-L128 WeakPolarHBondContact O-CD1 3.44Å; A122-W131 HydrophobicContact CB-CD2 4.17Å; A122-W131 HydrophobicContact CB-CE3 3.67Å; A122-W131 HydrophobicContact CB-CH2 3.75Å; A122-W131 HydrophobicContact CB-CZ2 4.24Å; A122-W131 HydrophobicContact CB-CZ3 3.43Å; A122-W131 VanDerWaalsContact CB-CZ3 3.43Å; A122-M188 HydrophobicContact CB-SD 4.27Å |
| 123 | L | 83.2 | Confident | 86.1 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -82.8 | -11.7 | -179.7 | -54.6 | 179.4 | 0 | 0 | 0 | 112.5 | F114 S120 L121 L178 V179 L184 M188 | F114-L123 HydrophobicContact CD2-CD1 4.04Å; F114-L123 HydrophobicContact CE2-CB 3.93Å; F114-L123 HydrophobicContact CE2-CD1 3.49Å; F114-L123 VanDerWaalsContact CE2-CD1 3.49Å; F114-L123 HydrophobicContact CE2-CG 4.3Å; F114-L123 HydrophobicContact CZ-CB 4.15Å; S120-L123 WeakPolarHBondContact O-CB 3.24Å; S120-L123 PolarHBondContact O-N 3.39Å; L121-L123 PolarHBondContact O-N 2.97Å; L123-L178 HydrophobicContact CD1-CB 4.43Å; L123-V179 HydrophobicContact CD2-CG2 4.44Å; L123-L184 HydrophobicContact CD2-CD1 4.42Å; L123-L184 HydrophobicContact CD2-CD2 3.25Å; L123-L184 HydrophobicContact CD2-CG 4.42Å; L123-M188 HydrophobicContact CD2-CE 4.1Å |
| 124 | R | 84.8 | Confident | 86.6 | Confident | 62 Ų | 62 | 50.9 Ų | 50.9 | 23% | 0.234 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -103.9 | 114.2 | -175.9 | -61.1 | 178.3 | -163.8 | 179.3 | 6.3 | 110.3 | F114 L121 A122 P126 T127 L128 | F114-R124 HydrophobicContact CE1-CG 4.48Å; F114-R124 HydrophobicContact CZ-CG 4.35Å; F114-R124 PolarHBondContact O-NH2 3Å; L121-R124 PolarHBondContact O-N 3.34Å; A122-R124 VanDerWaalsContact C-N 3.31Å; R124-P126 VanDerWaalsContact C-CD 3.42Å; R124-T127 WeakPolarHBondContact CB-OG1 3.18Å; R124-T127 PolarHBondContact O-N 2.98Å; R124-T127 VanDerWaalsContact O-N 3.1Å; R124-T127 PolarHBondContact O-OG1 3.39Å; R124-L128 PolarHBondContact O-N 3.32Å |
| 125 | K | 82.7 | Confident | 87.3 | Confident | 197 Ų | 197 | 46.5 Ų | 46.5 | 86% | 0.857 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -45.6 | -45.7 | 177.9 | -168.2 | 177.3 | -178.1 | -179.6 | 0 | 115 | T127 | K125-T127 PolarHBondContact O-N 2.98Å |
| 126 | P | 86.8 | Confident | 87.9 | Confident | 115 Ų | 115 | 42 Ų | 42 | 75% | 0.747 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -71.2 | -27.5 | -177.6 | 26 | -34.1 | 0 | 0 | 0 | 114.1 | R124 | R124-P126 VanDerWaalsContact C-CD 3.42Å |
| 127 | T | 87.6 | Confident | 88.4 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 11% | 0.11 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -99.6 | -15.4 | -176.8 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | T76 L79 L121 R124 K125 V129 E130 W131 | T76-T127 HydrophobicContact CG2-CG2 4.41Å; L79-T127 HydrophobicContact CD2-CG2 4.22Å; L121-T127 HydrophobicContact CD2-CG2 4.26Å; L121-T127 PolarHBondContact O-OG1 2.94Å; R124-T127 WeakPolarHBondContact CB-OG1 3.18Å; R124-T127 PolarHBondContact O-N 2.98Å; R124-T127 VanDerWaalsContact O-N 3.1Å; R124-T127 PolarHBondContact O-OG1 3.39Å; K125-T127 PolarHBondContact O-N 2.98Å; T127-V129 PolarHBondContact O-N 2.72Å; T127-E130 PolarHBondContact O-N 3.45Å; T127-W131 VanDerWaalsContact O-CB 3.25Å; T127-W131 WeakPolarHBondContact O-CB 3.33Å; T127-W131 PolarHBondContact O-N 2.91Å |
| 128 | L | 87.3 | Confident | 88.7 | Confident | 54 Ų | 54 | 43.1 Ų | 43.1 | 28% | 0.283 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -52.5 | -51.3 | -173.9 | 174 | 59.1 | 0 | 0 | 0 | 113.4 | A122 R124 E130 W131 I132 L191 | A122-L128 HydrophobicContact CB-CD1 4.39Å; A122-L128 WeakPolarHBondContact O-CD1 3.44Å; R124-L128 PolarHBondContact O-N 3.32Å; L128-E130 PolarHBondContact O-N 3.44Å; L128-W131 HydrophobicContact CD1-CE3 4.35Å; L128-W131 PolarHBondContact O-N 3.23Å; L128-I132 HydrophobicContact CD1-CD1 3.8Å; L128-I132 HydrophobicContact CD1-CG1 4.15Å; L128-I132 HydrophobicContact CG-CD1 4.09Å; L128-I132 VanDerWaalsContact O-CG1 3.31Å; L128-I132 WeakPolarHBondContact O-CG1 3.37Å; L128-I132 PolarHBondContact O-N 2.81Å; L128-L191 HydrophobicContact CD1-CD1 4.12Å |
| 129 | V | 89.7 | Confident | 89 | Confident | 98 Ų | 98 | 43.1 Ų | 43.1 | 59% | 0.594 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -64.5 | -43.7 | -177.7 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | T127 W131 I132 I133 | T127-V129 PolarHBondContact O-N 2.72Å; V129-W131 VanDerWaalsContact C-N 3.34Å; V129-I132 PolarHBondContact O-N 3.01Å; V129-I133 HydrophobicContact CG1-CD1 4.03Å; V129-I133 WeakPolarHBondContact O-CG1 3.37Å; V129-I133 PolarHBondContact O-N 3.08Å; V129-I133 VanDerWaalsContact O-N 3.13Å |
| 130 | E | 89.8 | Confident | 89.4 | Confident | 81 Ų | 81 | 44.2 Ų | 44.2 | 38% | 0.379 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.4 | -40 | 178.4 | -59.7 | -161.8 | 146.6 | 0 | 0 | 111.8 | L79 K83 T127 L128 I133 T134 | L79-E130 HydrophobicContact CD2-CB 4.25Å; K83-E130 IonicContact NZ-OE1 2.82Å; K83-E130 PolarHBondContact NZ-OE1 3Å; K83-E130 IonicContact NZ-OE2 2.76Å; K83-E130 PolarHBondContact NZ-OE2 3.47Å; T127-E130 PolarHBondContact O-N 3.45Å; L128-E130 PolarHBondContact O-N 3.44Å; E130-I133 PolarHBondContact O-N 3.45Å; E130-T134 WeakPolarHBondContact O-CB 3.4Å; E130-T134 WeakPolarHBondContact O-CG2 3.5Å; E130-T134 PolarHBondContact O-N 3.4Å; E130-T134 PolarHBondContact O-OG1 3.48Å |
| 131 | W | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 176.2 | 177.5 | 79.2 | 0 | 0 | 0 | 111.5 | Y118 L121 A122 T127 L128 V129 I133 T134 T135 W176 L191 F195 | Y118-W131 AromaticContact CD1-NE1 3.48Å; Y118-W131 AromaticContact CE1-CD1 3.74Å; Y118-W131 AromaticContact CE1-NE1 3.19Å; Y118-W131 AromaticContact CE2-CD1 3.85Å; Y118-W131 AromaticContact CZ-CD1 3.51Å; Y118-W131 AromaticContact CZ-NE1 3.51Å; Y118-W131 PolarHBondContact O-NE1 2.96Å; Y118-W131 VanDerWaalsContact O-NE1 3.16Å; L121-W131 HydrophobicContact CB-CB 4.1Å; L121-W131 HydrophobicContact CB-CG 3.86Å; A122-W131 HydrophobicContact CB-CD2 4.17Å; A122-W131 HydrophobicContact CB-CE3 3.67Å; A122-W131 HydrophobicContact CB-CH2 3.75Å; A122-W131 HydrophobicContact CB-CZ2 4.24Å; A122-W131 HydrophobicContact CB-CZ3 3.43Å; A122-W131 VanDerWaalsContact CB-CZ3 3.43Å; T127-W131 VanDerWaalsContact O-CB 3.25Å; T127-W131 WeakPolarHBondContact O-CB 3.33Å; T127-W131 PolarHBondContact O-N 2.91Å; L128-W131 HydrophobicContact CD1-CE3 4.35Å; L128-W131 PolarHBondContact O-N 3.23Å; V129-W131 VanDerWaalsContact C-N 3.34Å; W131-I133 PolarHBondContact O-N 3.01Å; W131-T134 WeakPolarHBondContact CA-OG1 3.48Å; W131-T134 PolarHBondContact O-N 2.73Å; W131-T134 PolarHBondContact O-OG1 2.85Å; W131-T135 PolarHBondContact NE1-OG1 2.84Å; W131-T135 VanDerWaalsContact O-CB 3.24Å; W131-T135 WeakPolarHBondContact O-CB 3.35Å; W131-T135 PolarHBondContact O-N 2.91Å; W131-T135 PolarHBondContact O-OG1 3.27Å; W131-W176 HydrophobicContact CH2-CH2 4.12Å; W131-L191 HydrophobicContact CH2-CD2 3.8Å; W131-L191 HydrophobicContact CZ3-CD1 3.92Å; W131-L191 HydrophobicContact CZ3-CD2 3.56Å; W131-L191 HydrophobicContact CZ3-CG 4.38Å; W131-F195 HydrophobicContact CE3-CZ 4.41Å; W131-F195 AromaticContact CH2-CE2 3.67Å; W131-F195 HydrophobicContact CH2-CE2 3.67Å; W131-F195 AromaticContact CH2-CZ 3.81Å; W131-F195 HydrophobicContact CH2-CZ 3.81Å; W131-F195 HydrophobicContact CZ2-CE2 4.43Å; W131-F195 HydrophobicContact CZ2-CZ 4.49Å; W131-F195 HydrophobicContact CZ3-CE2 4.03Å; W131-F195 AromaticContact CZ3-CZ 3.77Å; W131-F195 HydrophobicContact CZ3-CZ 3.77Å |
| 132 | I | 90.6 | Very high | 90.3 | Very high | 42 Ų | 42 | 44.5 Ų | 44.5 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.9 | -47.6 | 175.4 | -69.1 | 166.1 | 0 | 0 | 0 | 110.9 | L128 V129 T134 K136 L191 F195 | L128-I132 HydrophobicContact CD1-CD1 3.8Å; L128-I132 HydrophobicContact CD1-CG1 4.15Å; L128-I132 HydrophobicContact CG-CD1 4.09Å; L128-I132 VanDerWaalsContact O-CG1 3.31Å; L128-I132 WeakPolarHBondContact O-CG1 3.37Å; L128-I132 PolarHBondContact O-N 2.81Å; V129-I132 PolarHBondContact O-N 3.01Å; I132-T134 PolarHBondContact O-N 3.25Å; I132-K136 HydrophobicContact CG2-CD 4.26Å; I132-K136 WeakPolarHBondContact O-CB 3.5Å; I132-K136 WeakPolarHBondContact O-CG 3.27Å; I132-K136 PolarHBondContact O-N 3.46Å; I132-L191 HydrophobicContact CD1-CD1 3.86Å; I132-L191 HydrophobicContact CG1-CD1 3.96Å; I132-F195 HydrophobicContact CG2-CE1 4.16Å |
| 133 | I | 91.8 | Very high | 90.7 | Very high | 84 Ų | 84 | 44.4 Ų | 44.4 | 43% | 0.431 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.5 | -40.6 | -177.7 | -71 | 169.1 | 0 | 0 | 0 | 111.7 | V129 E130 W131 W137 | V129-I133 HydrophobicContact CG1-CD1 4.03Å; V129-I133 WeakPolarHBondContact O-CG1 3.37Å; V129-I133 PolarHBondContact O-N 3.08Å; V129-I133 VanDerWaalsContact O-N 3.13Å; E130-I133 PolarHBondContact O-N 3.45Å; W131-I133 PolarHBondContact O-N 3.01Å; I133-W137 PolarHBondContact O-N 3.04Å |
| 134 | T | 92.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -74.1 | -40.4 | 179.6 | 47.9 | 0 | 0 | 0 | 0 | 111.9 | L79 V82 K83 K86 Y118 E130 W131 I132 K136 W137 L138 | L79-T134 HydrophobicContact CD1-CG2 4.07Å; L79-T134 VanDerWaalsContact CD1-OG1 3.28Å; L79-T134 WeakPolarHBondContact CD1-OG1 3.18Å; V82-T134 HydrophobicContact CG1-CG2 4.19Å; K83-T134 HydrophobicContact CG-CG2 3.63Å; K86-T134 HydrophobicContact CD-CG2 4.46Å; Y118-T134 PolarHBondContact OH-OG1 3.2Å; E130-T134 WeakPolarHBondContact O-CB 3.4Å; E130-T134 WeakPolarHBondContact O-CG2 3.5Å; E130-T134 PolarHBondContact O-N 3.4Å; E130-T134 PolarHBondContact O-OG1 3.48Å; W131-T134 WeakPolarHBondContact CA-OG1 3.48Å; W131-T134 PolarHBondContact O-N 2.73Å; W131-T134 PolarHBondContact O-OG1 2.85Å; I132-T134 PolarHBondContact O-N 3.25Å; T134-K136 PolarHBondContact O-N 3.37Å; T134-W137 WeakPolarHBondContact O-CB 3.5Å; T134-W137 PolarHBondContact O-N 2.78Å; T134-W137 VanDerWaalsContact O-N 3.17Å; T134-L138 WeakPolarHBondContact O-CG 3.32Å; T134-L138 PolarHBondContact O-N 2.85Å |
| 135 | T | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -41.3 | 175.6 | -51.4 | 0 | 0 | 0 | 0 | 111.2 | Y118 W131 W137 L138 F139 F195 | Y118-T135 PolarHBondContact OH-OG1 2.89Å; W131-T135 PolarHBondContact NE1-OG1 2.84Å; W131-T135 VanDerWaalsContact O-CB 3.24Å; W131-T135 WeakPolarHBondContact O-CB 3.35Å; W131-T135 PolarHBondContact O-N 2.91Å; W131-T135 PolarHBondContact O-OG1 3.27Å; T135-W137 VanDerWaalsContact C-N 3.3Å; T135-W137 PolarHBondContact O-N 2.98Å; T135-L138 WeakPolarHBondContact O-CB 3.44Å; T135-L138 PolarHBondContact O-N 3Å; T135-F139 HydrophobicContact CG2-CD2 3.76Å; T135-F139 HydrophobicContact CG2-CE2 3.45Å; T135-F139 VanDerWaalsContact CG2-CE2 3.45Å; T135-F139 HydrophobicContact CG2-CZ 4.36Å; T135-F139 WeakPolarHBondContact O-CB 3.41Å; T135-F139 WeakPolarHBondContact O-CD2 3.14Å; T135-F139 PolarHBondContact O-N 3.46Å; T135-F195 HydrophobicContact CG2-CE1 4.15Å; T135-F195 HydrophobicContact CG2-CE2 4.03Å; T135-F195 HydrophobicContact CG2-CZ 3.74Å |
| 136 | K | 94 | Very high | 92.1 | Very high | 57 Ų | 57 | 36 Ų | 36 | 25% | 0.248 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.5 | -40.5 | 172.1 | -81.6 | -174.5 | 177.9 | -173.5 | 0 | 113 | I132 T134 S140 F195 H198 | I132-K136 HydrophobicContact CG2-CD 4.26Å; I132-K136 WeakPolarHBondContact O-CB 3.5Å; I132-K136 WeakPolarHBondContact O-CG 3.27Å; I132-K136 PolarHBondContact O-N 3.46Å; T134-K136 PolarHBondContact O-N 3.37Å; K136-S140 PolarHBondContact O-N 3.3Å; K136-S140 VanDerWaalsContact O-N 3.08Å; K136-S140 PolarHBondContact O-OG 3.06Å; K136-F195 HydrophobicContact CG-CD1 3.92Å; K136-F195 HydrophobicContact CG-CE1 4Å; K136-H198 HydrophobicContact CD-CB 4.27Å; K136-H198 HydrophobicContact CG-CB 4.22Å; K136-H198 PolarHBondContact O-CD2 3.47Å; K136-H198 PolarHBondContact O-NE2 3.3Å |
| 137 | W | 94.6 | Very high | 92.4 | Very high | 41 Ų | 41 | 31.9 Ų | 31.9 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.1 | -47.3 | 174 | 172 | 74.9 | 0 | 0 | 0 | 111.6 | V82 L85 K86 Y89 F98 I133 T134 T135 F139 S140 T141 | V82-W137 HydrophobicContact CG1-CE3 4.3Å; V82-W137 HydrophobicContact CG1-CZ3 4.21Å; L85-W137 HydrophobicContact CB-CH2 4.1Å; K86-W137 HydrophobicContact CB-CD2 3.69Å; K86-W137 HydrophobicContact CB-CE3 3.72Å; K86-W137 HydrophobicContact CB-CG 4.25Å; K86-W137 HydrophobicContact CB-CH2 4.27Å; K86-W137 HydrophobicContact CB-CZ2 4.26Å; K86-W137 HydrophobicContact CB-CZ3 3.99Å; K86-W137 HydrophobicContact CD-CB 3.85Å; K86-W137 HydrophobicContact CD-CD2 4.11Å; K86-W137 HydrophobicContact CD-CE3 4.48Å; K86-W137 HydrophobicContact CD-CG 3.8Å; K86-W137 HydrophobicContact CG-CB 4.27Å; K86-W137 HydrophobicContact CG-CD2 3.64Å; K86-W137 HydrophobicContact CG-CE3 4.14Å; K86-W137 HydrophobicContact CG-CG 3.65Å; Y89-W137 HydrophobicContact CD1-CZ2 4.4Å; Y89-W137 HydrophobicContact CD2-CH2 4.24Å; Y89-W137 HydrophobicContact CD2-CZ2 4.09Å; Y89-W137 HydrophobicContact CG-CH2 4.42Å; Y89-W137 AromaticContact CG-CZ2 3.81Å; Y89-W137 HydrophobicContact CG-CZ2 3.81Å; F98-W137 HydrophobicContact CD2-CH2 4.32Å; F98-W137 HydrophobicContact CE2-CH2 4.13Å; F98-W137 HydrophobicContact CE2-CZ3 4.4Å; I133-W137 PolarHBondContact O-N 3.04Å; T134-W137 WeakPolarHBondContact O-CB 3.5Å; T134-W137 PolarHBondContact O-N 2.78Å; T134-W137 VanDerWaalsContact O-N 3.17Å; T135-W137 VanDerWaalsContact C-N 3.3Å; T135-W137 PolarHBondContact O-N 2.98Å; W137-F139 VanDerWaalsContact C-N 3.33Å; W137-F139 PolarHBondContact O-N 2.7Å; W137-S140 PolarHBondContact O-N 3.18Å; W137-T141 PolarHBondContact NE1-OG1 2.67Å; W137-T141 PolarHBondContact O-N 3.03Å; W137-T141 PolarHBondContact O-OG1 3.01Å |
| 138 | L | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.7 | -47.3 | 175.1 | -69 | 174.1 | 0 | 0 | 0 | 111.5 | V82 F98 L101 I102 I105 Y118 T134 T135 S140 T141 V142 F166 | V82-L138 HydrophobicContact CG1-CD1 3.94Å; V82-L138 HydrophobicContact CG1-CD2 4.12Å; V82-L138 HydrophobicContact CG1-CG 4.02Å; F98-L138 HydrophobicContact CE2-CD2 3.81Å; F98-L138 HydrophobicContact CZ-CD2 4.43Å; L101-L138 HydrophobicContact CD2-CD2 4.15Å; I102-L138 HydrophobicContact CD1-CD2 4.06Å; I105-L138 HydrophobicContact CD1-CD1 3.61Å; Y118-L138 HydrophobicContact CE1-CD1 4.27Å; T134-L138 WeakPolarHBondContact O-CG 3.32Å; T134-L138 PolarHBondContact O-N 2.85Å; T135-L138 WeakPolarHBondContact O-CB 3.44Å; T135-L138 PolarHBondContact O-N 3Å; L138-S140 PolarHBondContact O-N 3.13Å; L138-T141 PolarHBondContact O-N 2.81Å; L138-V142 WeakPolarHBondContact O-CB 3.49Å; L138-V142 VanDerWaalsContact O-CG2 3.25Å; L138-V142 WeakPolarHBondContact O-CG2 3.48Å; L138-V142 PolarHBondContact O-N 3.23Å; L138-F166 HydrophobicContact CB-CE1 4.26Å; L138-F166 HydrophobicContact CB-CZ 3.74Å; L138-F166 HydrophobicContact CD1-CE2 4.36Å; L138-F166 HydrophobicContact CD1-CZ 4.17Å |
| 139 | F | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55 | -48.4 | 175.7 | -85.3 | -56.6 | 0 | 0 | 0 | 112.8 | T135 W137 A143 F166 L167 H170 T171 F195 L199 | T135-F139 HydrophobicContact CG2-CD2 3.76Å; T135-F139 HydrophobicContact CG2-CE2 3.45Å; T135-F139 VanDerWaalsContact CG2-CE2 3.45Å; T135-F139 HydrophobicContact CG2-CZ 4.36Å; T135-F139 WeakPolarHBondContact O-CB 3.41Å; T135-F139 WeakPolarHBondContact O-CD2 3.14Å; T135-F139 PolarHBondContact O-N 3.46Å; W137-F139 VanDerWaalsContact C-N 3.33Å; W137-F139 PolarHBondContact O-N 2.7Å; F139-A143 WeakPolarHBondContact O-CB 3.11Å; F139-A143 PolarHBondContact O-N 3.35Å; F139-F166 AromaticContact CD1-CE1 3.95Å; F139-F166 HydrophobicContact CD1-CE1 3.95Å; F139-F166 HydrophobicContact CE1-CE1 4.09Å; F139-F166 HydrophobicContact CG-CE1 4.47Å; F139-L167 HydrophobicContact CD1-CD2 3.35Å; F139-L167 HydrophobicContact CE1-CD2 3.63Å; F139-H170 HydrophobicContact CE1-CB 4.16Å; F139-H170 HydrophobicContact CE2-CB 4.26Å; F139-H170 HydrophobicContact CZ-CB 3.46Å; F139-H170 VanDerWaalsContact CZ-CB 3.46Å; F139-T171 HydrophobicContact CE1-CG2 3.77Å; F139-T171 HydrophobicContact CZ-CG2 3.74Å; F139-F195 HydrophobicContact CD2-CB 4.18Å; F139-F195 HydrophobicContact CD2-CD1 4.11Å; F139-F195 HydrophobicContact CD2-CG 4.1Å; F139-F195 HydrophobicContact CE2-CB 3.64Å; F139-F195 AromaticContact CE2-CD1 3.88Å; F139-F195 HydrophobicContact CE2-CD1 3.88Å; F139-F195 AromaticContact CE2-CD2 3.63Å; F139-F195 HydrophobicContact CE2-CD2 3.63Å; F139-F195 HydrophobicContact CE2-CE1 4.38Å; F139-F195 HydrophobicContact CE2-CE2 4.11Å; F139-F195 AromaticContact CE2-CG 3.48Å; F139-F195 HydrophobicContact CE2-CG 3.48Å; F139-F195 VanDerWaalsContact CE2-CG 3.48Å; F139-F195 HydrophobicContact CE2-CZ 4.49Å; F139-F195 HydrophobicContact CZ-CB 4.17Å; F139-F195 HydrophobicContact CZ-CD2 4.25Å; F139-F195 HydrophobicContact CZ-CG 4.31Å; F139-L199 HydrophobicContact CB-CD2 3.68Å; F139-L199 HydrophobicContact CB-CG 4.12Å; F139-L199 HydrophobicContact CD1-CD1 3.76Å; F139-L199 HydrophobicContact CD1-CD2 3.93Å; F139-L199 HydrophobicContact CD1-CG 4.03Å; F139-L199 HydrophobicContact CE1-CD1 4.04Å; F139-L199 HydrophobicContact CG-CD1 4.35Å; F139-L199 HydrophobicContact CG-CD2 4.13Å; F139-L199 HydrophobicContact CG-CG 4.19Å |
| 140 | S | 93.5 | Very high | 93 | Very high | 23 Ų | 23 | 29.2 Ų | 29.2 | 16% | 0.161 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.7 | -46.7 | 178.5 | -60 | 0 | 0 | 0 | 0 | 111.5 | K136 W137 L138 A143 E144 H198 | K136-S140 PolarHBondContact O-N 3.3Å; K136-S140 VanDerWaalsContact O-N 3.08Å; K136-S140 PolarHBondContact O-OG 3.06Å; W137-S140 PolarHBondContact O-N 3.18Å; L138-S140 PolarHBondContact O-N 3.13Å; S140-A143 PolarHBondContact O-N 3.32Å; S140-E144 WeakPolarHBondContact O-CB 3.49Å; S140-E144 PolarHBondContact O-N 3.16Å; S140-H198 PolarHBondContact OG-NE2 2.86Å; S140-H198 VanDerWaalsContact OG-NE2 3.14Å |
| 141 | T | 93.3 | Very high | 93 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 4% | 0.043 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.6 | -37.2 | -177.9 | -57.4 | 0 | 0 | 0 | 0 | 112 | Y89 F98 W137 L138 E144 H145 | Y89-T141 HydrophobicContact CD1-CG2 4.3Å; Y89-T141 HydrophobicContact CE1-CG2 3.83Å; F98-T141 HydrophobicContact CD2-CG2 4.34Å; F98-T141 HydrophobicContact CE1-CG2 4.11Å; F98-T141 HydrophobicContact CE2-CG2 3.66Å; F98-T141 HydrophobicContact CZ-CG2 3.53Å; W137-T141 PolarHBondContact NE1-OG1 2.67Å; W137-T141 PolarHBondContact O-N 3.03Å; W137-T141 PolarHBondContact O-OG1 3.01Å; L138-T141 PolarHBondContact O-N 2.81Å; T141-E144 PolarHBondContact O-N 3.34Å; T141-H145 WeakPolarHBondContact CG2-NE2 3.36Å; T141-H145 PolarHBondContact O-CD2 3.34Å; T141-H145 PolarHBondContact O-N 3.12Å |
| 142 | V | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.9 | -47.1 | 172.8 | 167.6 | 0 | 0 | 0 | 0 | 110.6 | F98 I102 L138 E144 H145 M146 F163 F166 L167 | F98-V142 HydrophobicContact CE1-CG2 3.87Å; F98-V142 HydrophobicContact CZ-CG2 3.72Å; I102-V142 HydrophobicContact CD1-CG2 3.7Å; I102-V142 HydrophobicContact CG1-CG2 4.09Å; L138-V142 WeakPolarHBondContact O-CB 3.49Å; L138-V142 VanDerWaalsContact O-CG2 3.25Å; L138-V142 WeakPolarHBondContact O-CG2 3.48Å; L138-V142 PolarHBondContact O-N 3.23Å; V142-E144 VanDerWaalsContact C-N 3.34Å; V142-E144 PolarHBondContact O-N 2.89Å; V142-H145 PolarHBondContact O-N 2.8Å; V142-M146 WeakPolarHBondContact O-CB 3.39Å; V142-M146 PolarHBondContact O-N 2.72Å; V142-F163 HydrophobicContact CG1-CB 3.63Å; V142-F163 HydrophobicContact CG1-CD1 3.95Å; V142-F163 HydrophobicContact CG1-CD2 4.39Å; V142-F163 HydrophobicContact CG1-CG 3.75Å; V142-F163 HydrophobicContact CG2-CD1 4.15Å; V142-F163 HydrophobicContact CG2-CE1 4.39Å; V142-F166 HydrophobicContact CB-CD1 4.41Å; V142-F166 HydrophobicContact CG1-CD1 4.3Å; V142-F166 HydrophobicContact CG2-CD1 3.87Å; V142-F166 HydrophobicContact CG2-CE1 3.97Å; V142-L167 HydrophobicContact CG1-CD1 4.39Å; V142-L167 HydrophobicContact CG1-CD2 4.01Å; V142-L167 HydrophobicContact CG1-CG 4.11Å |
| 143 | A | 93.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F139 S140 M146 S147 L199 H207 | F139-A143 WeakPolarHBondContact O-CB 3.11Å; F139-A143 PolarHBondContact O-N 3.35Å; S140-A143 PolarHBondContact O-N 3.32Å; A143-M146 PolarHBondContact O-N 3.19Å; A143-S147 PolarHBondContact O-N 2.81Å; A143-L199 HydrophobicContact CB-CD2 4.33Å; A143-H207 HydrophobicContact CB-CB 4.43Å; A143-H207 WeakPolarHBondContact O-CB 3.19Å; A143-H207 PolarHBondContact O-CD2 2.96Å; A143-H207 VanDerWaalsContact O-CG 3.3Å |
| 144 | E | 93.4 | Very high | 92.7 | Very high | 119 Ų | 119 | 30.1 Ų | 30.1 | 56% | 0.556 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -60.7 | -51.3 | 176 | -173 | 178.1 | -178.1 | 0 | 0 | 111.8 | S140 T141 V142 M146 S147 | S140-E144 WeakPolarHBondContact O-CB 3.49Å; S140-E144 PolarHBondContact O-N 3.16Å; T141-E144 PolarHBondContact O-N 3.34Å; V142-E144 VanDerWaalsContact C-N 3.34Å; V142-E144 PolarHBondContact O-N 2.89Å; E144-M146 VanDerWaalsContact C-N 3.33Å; E144-M146 PolarHBondContact O-N 3.44Å; E144-S147 PolarHBondContact O-N 2.97Å; E144-S147 PolarHBondContact O-OG 3.36Å |
| 145 | H | 94 | Very high | 92.6 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.3 | -36.6 | 177.1 | -70.5 | -49.8 | 0 | 0 | 0 | 112.8 | Y89 S91 Y95 F98 T141 V142 S147 S148 L149 F163 | Y89-H145 AromaticContact CE1-NE2 3.57Å; Y89-H145 AromaticContact CZ-NE2 3.55Å; Y89-H145 PolarHBondContact OH-CE1 2.8Å; Y89-H145 PolarHBondContact OH-NE2 2.86Å; S91-H145 PolarHBondContact OG-CE1 3.33Å; Y95-H145 HydrophobicContact CE2-CB 4.24Å; Y95-H145 AromaticContact CE2-CG 3.93Å; Y95-H145 AromaticContact CE2-ND1 3.95Å; F98-H145 AromaticContact CD1-CD2 3.97Å; F98-H145 AromaticContact CE1-CD2 3.75Å; T141-H145 WeakPolarHBondContact CG2-NE2 3.36Å; T141-H145 PolarHBondContact O-CD2 3.34Å; T141-H145 PolarHBondContact O-N 3.12Å; V142-H145 PolarHBondContact O-N 2.8Å; H145-S147 PolarHBondContact O-N 3.09Å; H145-S148 PolarHBondContact O-N 2.82Å; H145-S148 PolarHBondContact O-OG 3.4Å; H145-L149 PolarHBondContact O-N 2.78Å; H145-F163 HydrophobicContact CB-CE2 3.68Å; H145-F163 HydrophobicContact CB-CZ 4.02Å |
| 146 | M | 93.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.9 | -39.7 | 177.8 | 178.3 | 173.4 | 69.6 | 0 | 0 | 110.9 | V142 A143 E144 S148 L149 L160 F163 L164 L167 H207 L208 V211 | V142-M146 WeakPolarHBondContact O-CB 3.39Å; V142-M146 PolarHBondContact O-N 2.72Å; A143-M146 PolarHBondContact O-N 3.19Å; E144-M146 VanDerWaalsContact C-N 3.33Å; E144-M146 PolarHBondContact O-N 3.44Å; M146-S148 VanDerWaalsContact C-N 3.26Å; M146-S148 PolarHBondContact O-N 2.76Å; M146-L149 PolarHBondContact O-N 2.81Å; M146-L160 HydrophobicContact CG-CD1 3.62Å; M146-L160 HydrophobicContact SD-CD1 3.97Å; M146-F163 HydrophobicContact CB-CD2 4.27Å; M146-L164 HydrophobicContact SD-CD2 3.99Å; M146-L167 HydrophobicContact CE-CD1 4.28Å; M146-L167 HydrophobicContact SD-CD1 4.28Å; M146-H207 HydrophobicContact CE-CB 4.39Å; M146-L208 HydrophobicContact CE-CD2 3.46Å; M146-L208 VanDerWaalsContact CE-CD2 3.46Å; M146-L208 HydrophobicContact CE-CG 4.23Å; M146-L208 HydrophobicContact SD-CD2 4.24Å; M146-V211 HydrophobicContact CG-CG2 3.67Å; M146-V211 WeakPolarHBondContact O-CG2 3.44Å |
| 147 | S | 92.5 | Very high | 92.5 | Very high | 29 Ų | 29 | 33 Ų | 33 | 20% | 0.203 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.4 | -23 | 178.3 | 73.4 | 0 | 0 | 0 | 0 | 115.2 | A143 E144 H145 K214 | A143-S147 PolarHBondContact O-N 2.81Å; E144-S147 PolarHBondContact O-N 2.97Å; E144-S147 PolarHBondContact O-OG 3.36Å; H145-S147 PolarHBondContact O-N 3.09Å; S147-K214 PolarHBondContact O-NZ 3.13Å |
| 148 | S | 91.6 | Very high | 92.4 | Very high | 75 Ų | 75 | 38.4 Ų | 38.4 | 52% | 0.524 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -84.7 | -22.6 | -179.9 | 70.6 | 0 | 0 | 0 | 0 | 113 | H145 M146 K214 | H145-S148 PolarHBondContact O-N 2.82Å; H145-S148 PolarHBondContact O-OG 3.4Å; M146-S148 VanDerWaalsContact C-N 3.26Å; M146-S148 PolarHBondContact O-N 2.76Å; S148-K214 VanDerWaalsContact C-NZ 3.26Å; S148-K214 PolarHBondContact O-NZ 3.42Å |
| 149 | L | 93.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | trans | -63.5 | 148.4 | 180 | -60.4 | 175.8 | 0 | 0 | 0 | 113.2 | Y95 H145 M146 D156 V159 L160 F163 K214 | Y95-L149 WeakPolarHBondContact OH-CD2 3.22Å; H145-L149 PolarHBondContact O-N 2.78Å; M146-L149 PolarHBondContact O-N 2.81Å; L149-D156 HydrophobicContact CB-CB 4.3Å; L149-D156 HydrophobicContact CD2-CB 4.16Å; L149-V159 HydrophobicContact CD1-CB 4.33Å; L149-V159 HydrophobicContact CD1-CG1 3.88Å; L149-V159 HydrophobicContact CD2-CB 4.35Å; L149-V159 HydrophobicContact CD2-CG1 4.01Å; L149-L160 HydrophobicContact CD1-CB 3.91Å; L149-L160 HydrophobicContact CD1-CD1 4.42Å; L149-F163 HydrophobicContact CD1-CD2 3.81Å; L149-F163 HydrophobicContact CD1-CE2 3.97Å; L149-K214 WeakPolarHBondContact O-CD 3.48Å; L149-K214 PolarHBondContact O-NZ 3.36Å | ||
| 150 | D | 91.7 | Very high | 92.4 | Very high | 37 Ų | 37 | 39.3 Ų | 39.3 | 20% | 0.198 | 22% | 0.224 | C | C | . | . | trans | -112.2 | 111.1 | 167.7 | -174.8 | -17 | 0 | 0 | 0 | 110.7 | S152 I153 D156 R218 | D150-S152 PolarHBondContact O-N 3.21Å; D150-S152 WeakPolarHBondContact OD1-CB 3.46Å; D150-S152 PolarHBondContact OD1-N 2.9Å; D150-S152 PolarHBondContact OD1-OG 3.49Å; D150-S152 PolarHBondContact OD2-OG 3.17Å; D150-I153 HydrophobicContact CB-CD1 4.18Å; D150-I153 HydrophobicContact CB-CG1 4.24Å; D150-I153 PolarHBondContact O-N 3.33Å; D150-D156 PolarHBondContact N-OD2 2.67Å; D150-D156 WeakPolarHBondContact O-CB 3.47Å; D150-R218 VanDerWaalsContact CG-NH2 3.32Å; D150-R218 IonicContact OD1-CZ 3.3Å; D150-R218 IonicContact OD1-NH2 3.81Å; D150-R218 PolarHBondContact OD1-NH2 3.24Å; D150-R218 IonicContact OD2-NH2 3.77Å; D150-R218 PolarHBondContact OD2-NH2 3.16Å | ||
| 151 | P | 90.7 | Very high | 92.4 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.032 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -19.4 | 179.4 | -23.6 | 32.9 | 0 | 0 | 0 | 115.4 | I153 L160 V211 A222 L223 | P151-I153 VanDerWaalsContact C-N 3.26Å; P151-I153 PolarHBondContact O-N 2.98Å; P151-L160 HydrophobicContact CB-CD2 4.38Å; P151-L160 HydrophobicContact CG-CD2 4.03Å; P151-V211 HydrophobicContact CG-CG1 3.89Å; P151-A222 HydrophobicContact CB-CB 4.22Å; P151-L223 HydrophobicContact CB-CD2 3.78Å; P151-L223 HydrophobicContact CB-CG 4.29Å; P151-L223 HydrophobicContact CG-CD2 3.69Å; P151-L223 HydrophobicContact CG-CG 4.3Å |
| 152 | S | 88 | Confident | 92.4 | Very high | 46 Ų | 46 | 40.5 Ų | 40.5 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -20.4 | 177.7 | 67.2 | 0 | 0 | 0 | 0 | 113.6 | D150 P154 R218 | D150-S152 PolarHBondContact O-N 3.21Å; D150-S152 WeakPolarHBondContact OD1-CB 3.46Å; D150-S152 PolarHBondContact OD1-N 2.9Å; D150-S152 PolarHBondContact OD1-OG 3.49Å; D150-S152 PolarHBondContact OD2-OG 3.17Å; S152-P154 WeakPolarHBondContact O-CD 3.34Å; S152-R218 PolarHBondContact OG-NH1 3.04Å; S152-R218 PolarHBondContact OG-NH2 2.91Å |
| 153 | I | 91.4 | Very high | 92.5 | Very high | 77 Ų | 77 | 40.5 Ų | 40.5 | 40% | 0.395 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -87.2 | 122.3 | 175.2 | -52.1 | 177 | 0 | 0 | 0 | 107.8 | D150 P151 S155 D156 S157 | D150-I153 HydrophobicContact CB-CD1 4.18Å; D150-I153 HydrophobicContact CB-CG1 4.24Å; D150-I153 PolarHBondContact O-N 3.33Å; P151-I153 VanDerWaalsContact C-N 3.26Å; P151-I153 PolarHBondContact O-N 2.98Å; I153-S155 WeakPolarHBondContact CG2-OG 3.47Å; I153-S155 PolarHBondContact O-N 3.31Å; I153-S155 VanDerWaalsContact O-N 3.17Å; I153-D156 HydrophobicContact CB-CB 4.08Å; I153-D156 PolarHBondContact O-N 3.48Å; I153-D156 VanDerWaalsContact O-N 3.08Å; I153-S157 PolarHBondContact O-N 3.28Å |
| 154 | P | 89.7 | Confident | 92.5 | Very high | 97 Ų | 97 | 40.7 Ų | 40.7 | 63% | 0.63 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -58.7 | -31.4 | -177.1 | -27.7 | 35.5 | 0 | 0 | 0 | 114.6 | S152 K158 | S152-P154 WeakPolarHBondContact O-CD 3.34Å; P154-K158 WeakPolarHBondContact O-CG 3.14Å; P154-K158 PolarHBondContact O-N 3.41Å |
| 155 | S | 90 | Very high | 92.4 | Very high | 68 Ų | 68 | 37.1 Ų | 37.1 | 48% | 0.476 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.2 | -48.3 | 174.1 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | I153 S157 K158 V159 | I153-S155 WeakPolarHBondContact CG2-OG 3.47Å; I153-S155 PolarHBondContact O-N 3.31Å; I153-S155 VanDerWaalsContact O-N 3.17Å; S155-S157 VanDerWaalsContact C-N 3.33Å; S155-S157 PolarHBondContact O-N 3.11Å; S155-K158 WeakPolarHBondContact O-CB 3.49Å; S155-K158 PolarHBondContact O-N 2.93Å; S155-V159 WeakPolarHBondContact O-CG2 3.41Å; S155-V159 PolarHBondContact O-N 2.9Å; S155-V159 VanDerWaalsContact O-N 3.09Å |
| 156 | D | 92.6 | Very high | 92.4 | Very high | 39 Ų | 39 | 36.6 Ų | 36.6 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.9 | -36.3 | -178.8 | -72.1 | 21.5 | 0 | 0 | 0 | 111 | L149 D150 I153 K158 V159 L160 | L149-D156 HydrophobicContact CB-CB 4.3Å; L149-D156 HydrophobicContact CD2-CB 4.16Å; D150-D156 PolarHBondContact N-OD2 2.67Å; D150-D156 WeakPolarHBondContact O-CB 3.47Å; I153-D156 HydrophobicContact CB-CB 4.08Å; I153-D156 PolarHBondContact O-N 3.48Å; I153-D156 VanDerWaalsContact O-N 3.08Å; D156-K158 VanDerWaalsContact C-N 3.35Å; D156-K158 PolarHBondContact O-N 3.44Å; D156-V159 CarbonylContact O-C 3.55Å; D156-V159 PolarHBondContact O-N 2.91Å; D156-L160 VanDerWaalsContact O-CB 3.32Å; D156-L160 WeakPolarHBondContact O-CB 3.44Å; D156-L160 PolarHBondContact O-N 3.08Å |
| 157 | S | 92.3 | Very high | 92.5 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 173.6 | -171.1 | 0 | 0 | 0 | 0 | 112.3 | I153 S155 L160 N161 | I153-S157 PolarHBondContact O-N 3.28Å; S155-S157 VanDerWaalsContact C-N 3.33Å; S155-S157 PolarHBondContact O-N 3.11Å; S157-L160 PolarHBondContact O-N 3.14Å; S157-N161 PolarHBondContact O-N 3.12Å; S157-N161 PolarHBondContact O-ND2 3.46Å |
| 158 | K | 92.5 | Very high | 92.4 | Very high | 155 Ų | 155 | 36.7 Ų | 36.7 | 67% | 0.674 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -64.1 | -42.2 | 172.9 | -72 | 173.9 | -177 | 179.6 | 0 | 111.6 | P154 S155 D156 N161 L162 | P154-K158 WeakPolarHBondContact O-CG 3.14Å; P154-K158 PolarHBondContact O-N 3.41Å; S155-K158 WeakPolarHBondContact O-CB 3.49Å; S155-K158 PolarHBondContact O-N 2.93Å; D156-K158 VanDerWaalsContact C-N 3.35Å; D156-K158 PolarHBondContact O-N 3.44Å; K158-N161 PolarHBondContact O-N 3.41Å; K158-L162 PolarHBondContact O-N 3.02Å |
| 159 | V | 93.7 | Very high | 92.3 | Very high | 19 Ų | 19 | 33.9 Ų | 33.9 | 12% | 0.115 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.1 | -41.5 | 177.3 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | L99 L149 S155 D156 N161 L162 F163 | L99-V159 HydrophobicContact CD1-CG1 4.48Å; L99-V159 HydrophobicContact CD1-CG2 3.88Å; L99-V159 HydrophobicContact CD2-CB 4.48Å; L99-V159 HydrophobicContact CD2-CG1 3.45Å; L99-V159 VanDerWaalsContact CD2-CG1 3.45Å; L99-V159 HydrophobicContact CD2-CG2 4.24Å; L149-V159 HydrophobicContact CD1-CB 4.33Å; L149-V159 HydrophobicContact CD1-CG1 3.88Å; L149-V159 HydrophobicContact CD2-CB 4.35Å; L149-V159 HydrophobicContact CD2-CG1 4.01Å; S155-V159 WeakPolarHBondContact O-CG2 3.41Å; S155-V159 PolarHBondContact O-N 2.9Å; S155-V159 VanDerWaalsContact O-N 3.09Å; D156-V159 CarbonylContact O-C 3.55Å; D156-V159 PolarHBondContact O-N 2.91Å; V159-N161 PolarHBondContact O-N 3.05Å; V159-L162 WeakPolarHBondContact O-CB 3.29Å; V159-L162 PolarHBondContact O-N 3.47Å; V159-L162 VanDerWaalsContact O-N 3.17Å; V159-F163 HydrophobicContact CG1-CD2 3.92Å; V159-F163 HydrophobicContact CG1-CE1 4.3Å; V159-F163 HydrophobicContact CG1-CE2 3.5Å; V159-F163 HydrophobicContact CG1-CG 4.47Å; V159-F163 HydrophobicContact CG1-CZ 3.73Å; V159-F163 WeakPolarHBondContact O-CG 3.17Å; V159-F163 PolarHBondContact O-N 3.4Å |
| 160 | L | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 175.7 | 175.2 | 63.2 | 0 | 0 | 0 | 110.9 | M146 L149 P151 D156 S157 L162 F163 L164 V211 L223 | M146-L160 HydrophobicContact CG-CD1 3.62Å; M146-L160 HydrophobicContact SD-CD1 3.97Å; L149-L160 HydrophobicContact CD1-CB 3.91Å; L149-L160 HydrophobicContact CD1-CD1 4.42Å; P151-L160 HydrophobicContact CB-CD2 4.38Å; P151-L160 HydrophobicContact CG-CD2 4.03Å; D156-L160 VanDerWaalsContact O-CB 3.32Å; D156-L160 WeakPolarHBondContact O-CB 3.44Å; D156-L160 PolarHBondContact O-N 3.08Å; S157-L160 PolarHBondContact O-N 3.14Å; L160-L162 VanDerWaalsContact C-N 3.28Å; L160-L162 PolarHBondContact O-N 3.2Å; L160-F163 PolarHBondContact O-N 2.88Å; L160-L164 HydrophobicContact CD1-CD1 4.06Å; L160-L164 HydrophobicContact CD1-CG 4.13Å; L160-L164 HydrophobicContact CG-CD1 3.93Å; L160-L164 HydrophobicContact CG-CG 4.41Å; L160-L164 WeakPolarHBondContact O-CB 3.34Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.34Å; L160-L164 PolarHBondContact O-N 3.39Å; L160-V211 HydrophobicContact CD1-CG1 3.99Å; L160-V211 HydrophobicContact CD1-CG2 4.48Å; L160-V211 HydrophobicContact CD2-CG1 3.75Å; L160-L223 HydrophobicContact CD2-CD2 3.78Å |
| 161 | N | 94.1 | Very high | 91.9 | Very high | 36 Ų | 36 | 32 Ų | 32 | 19% | 0.193 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -36.1 | 177.1 | -75.5 | -45.6 | 0 | 0 | 0 | 112.2 | S157 K158 V159 S165 S227 | S157-N161 PolarHBondContact O-N 3.12Å; S157-N161 PolarHBondContact O-ND2 3.46Å; K158-N161 PolarHBondContact O-N 3.41Å; V159-N161 PolarHBondContact O-N 3.05Å; N161-S165 VanDerWaalsContact O-CB 3.32Å; N161-S165 WeakPolarHBondContact O-CB 3.34Å; N161-S165 PolarHBondContact O-N 2.87Å; N161-S165 PolarHBondContact O-OG 3.12Å; N161-S227 WeakPolarHBondContact OD1-CA 3.43Å; N161-S227 WeakPolarHBondContact OD1-CB 3.43Å; N161-S227 PolarHBondContact OD1-N 3.2Å |
| 162 | L | 93.5 | Very high | 91.6 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 10% | 0.099 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.5 | -47.3 | 174 | 170.1 | 63.5 | 0 | 0 | 0 | 111.4 | I102 R103 V106 K158 V159 L160 S165 F166 | I102-L162 HydrophobicContact CG2-CD1 4.14Å; I102-L162 HydrophobicContact CG2-CD2 4.45Å; I102-L162 HydrophobicContact CG2-CG 4.01Å; R103-L162 HydrophobicContact CB-CD1 3.93Å; R103-L162 HydrophobicContact CB-CD2 3.97Å; R103-L162 HydrophobicContact CG-CD1 4.35Å; V106-L162 HydrophobicContact CG2-CD1 4.23Å; K158-L162 PolarHBondContact O-N 3.02Å; V159-L162 WeakPolarHBondContact O-CB 3.29Å; V159-L162 PolarHBondContact O-N 3.47Å; V159-L162 VanDerWaalsContact O-N 3.17Å; L160-L162 VanDerWaalsContact C-N 3.28Å; L160-L162 PolarHBondContact O-N 3.2Å; L162-S165 PolarHBondContact O-N 2.98Å; L162-F166 PolarHBondContact O-N 3.05Å |
| 163 | F | 96 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 176.5 | -72.7 | -17.8 | 0 | 0 | 0 | 112.2 | Y95 F98 L99 I102 V142 H145 M146 L149 V159 L160 S165 F166 L167 | Y95-F163 HydrophobicContact CE2-CZ 4.48Å; F98-F163 HydrophobicContact CD1-CE1 4.27Å; F98-F163 HydrophobicContact CD1-CZ 4.36Å; F98-F163 AromaticContact CE1-CE1 3.96Å; F98-F163 HydrophobicContact CE1-CE1 3.96Å; F98-F163 HydrophobicContact CE1-CZ 4.18Å; L99-F163 HydrophobicContact CD2-CE1 3.62Å; L99-F163 HydrophobicContact CD2-CE2 4.36Å; L99-F163 HydrophobicContact CD2-CZ 3.39Å; I102-F163 HydrophobicContact CG1-CE1 4.23Å; I102-F163 HydrophobicContact CG2-CD1 4.16Å; V142-F163 HydrophobicContact CG1-CB 3.63Å; V142-F163 HydrophobicContact CG1-CD1 3.95Å; V142-F163 HydrophobicContact CG1-CD2 4.39Å; V142-F163 HydrophobicContact CG1-CG 3.75Å; V142-F163 HydrophobicContact CG2-CD1 4.15Å; V142-F163 HydrophobicContact CG2-CE1 4.39Å; H145-F163 HydrophobicContact CB-CE2 3.68Å; H145-F163 HydrophobicContact CB-CZ 4.02Å; M146-F163 HydrophobicContact CB-CD2 4.27Å; L149-F163 HydrophobicContact CD1-CD2 3.81Å; L149-F163 HydrophobicContact CD1-CE2 3.97Å; V159-F163 HydrophobicContact CG1-CD2 3.92Å; V159-F163 HydrophobicContact CG1-CE1 4.3Å; V159-F163 HydrophobicContact CG1-CE2 3.5Å; V159-F163 HydrophobicContact CG1-CG 4.47Å; V159-F163 HydrophobicContact CG1-CZ 3.73Å; V159-F163 WeakPolarHBondContact O-CG 3.17Å; V159-F163 PolarHBondContact O-N 3.4Å; L160-F163 PolarHBondContact O-N 2.88Å; F163-S165 VanDerWaalsContact C-N 3.34Å; F163-S165 PolarHBondContact O-N 3.35Å; F163-F166 WeakPolarHBondContact O-CB 3.19Å; F163-F166 PolarHBondContact O-N 3.2Å; F163-L167 WeakPolarHBondContact O-CG 3.43Å; F163-L167 PolarHBondContact O-N 3.44Å |
| 164 | L | 94.1 | Very high | 90.4 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.6 | -41.7 | 175.6 | -70.1 | 171.3 | 0 | 0 | 0 | 111.6 | M146 L160 F166 L167 L168 S227 I231 | M146-L164 HydrophobicContact SD-CD2 3.99Å; L160-L164 HydrophobicContact CD1-CD1 4.06Å; L160-L164 HydrophobicContact CD1-CG 4.13Å; L160-L164 HydrophobicContact CG-CD1 3.93Å; L160-L164 HydrophobicContact CG-CG 4.41Å; L160-L164 WeakPolarHBondContact O-CB 3.34Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.34Å; L160-L164 PolarHBondContact O-N 3.39Å; L164-F166 VanDerWaalsContact C-N 3.35Å; L164-F166 PolarHBondContact O-N 3.34Å; L164-L167 PolarHBondContact O-N 2.95Å; L164-L168 WeakPolarHBondContact O-CB 3.48Å; L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 2.83Å; L164-S227 WeakPolarHBondContact CD1-O 3.36Å; L164-I231 HydrophobicContact CD1-CD1 4.47Å; L164-I231 HydrophobicContact CD1-CG1 3.94Å; L164-I231 HydrophobicContact CD2-CG1 3.83Å |
| 165 | S | 92.2 | Very high | 89.6 | Confident | 45 Ų | 45 | 31.8 Ų | 31.8 | 32% | 0.315 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 175.4 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | N161 L162 F163 L167 L168 I169 | N161-S165 VanDerWaalsContact O-CB 3.32Å; N161-S165 WeakPolarHBondContact O-CB 3.34Å; N161-S165 PolarHBondContact O-N 2.87Å; N161-S165 PolarHBondContact O-OG 3.12Å; L162-S165 PolarHBondContact O-N 2.98Å; F163-S165 VanDerWaalsContact C-N 3.34Å; F163-S165 PolarHBondContact O-N 3.35Å; S165-L167 PolarHBondContact O-N 3.05Å; S165-L168 PolarHBondContact O-N 3.31Å; S165-I169 WeakPolarHBondContact O-CB 3.12Å; S165-I169 WeakPolarHBondContact O-CD1 3.24Å; S165-I169 VanDerWaalsContact O-CG1 3.25Å; S165-I169 WeakPolarHBondContact O-CG1 3.33Å; S165-I169 PolarHBondContact O-N 3.16Å |
| 166 | F | 94 | Very high | 89.2 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.9 | -49.1 | 173.1 | 171.5 | -94.5 | 0 | 0 | 0 | 111.9 | I102 I105 V106 L138 F139 V142 L162 F163 L164 L168 H170 | I102-F166 HydrophobicContact CD1-CD2 4.18Å; I102-F166 HydrophobicContact CD1-CE2 4.16Å; I102-F166 HydrophobicContact CD1-CG 4.39Å; I102-F166 HydrophobicContact CD1-CZ 4.36Å; I102-F166 HydrophobicContact CG2-CB 3.66Å; I102-F166 HydrophobicContact CG2-CD2 4.08Å; I102-F166 HydrophobicContact CG2-CG 3.9Å; I105-F166 HydrophobicContact CG2-CD2 4.08Å; I105-F166 HydrophobicContact CG2-CE2 3.9Å; V106-F166 HydrophobicContact CG2-CB 3.74Å; V106-F166 HydrophobicContact CG2-CD2 4.4Å; L138-F166 HydrophobicContact CB-CE1 4.26Å; L138-F166 HydrophobicContact CB-CZ 3.74Å; L138-F166 HydrophobicContact CD1-CE2 4.36Å; L138-F166 HydrophobicContact CD1-CZ 4.17Å; F139-F166 AromaticContact CD1-CE1 3.95Å; F139-F166 HydrophobicContact CD1-CE1 3.95Å; F139-F166 HydrophobicContact CE1-CE1 4.09Å; F139-F166 HydrophobicContact CG-CE1 4.47Å; V142-F166 HydrophobicContact CB-CD1 4.41Å; V142-F166 HydrophobicContact CG1-CD1 4.3Å; V142-F166 HydrophobicContact CG2-CD1 3.87Å; V142-F166 HydrophobicContact CG2-CE1 3.97Å; L162-F166 PolarHBondContact O-N 3.05Å; F163-F166 WeakPolarHBondContact O-CB 3.19Å; F163-F166 PolarHBondContact O-N 3.2Å; L164-F166 VanDerWaalsContact C-N 3.35Å; L164-F166 PolarHBondContact O-N 3.34Å; F166-L168 VanDerWaalsContact C-N 3.34Å; F166-L168 PolarHBondContact O-N 2.96Å; F166-H170 AromaticContact CD2-CD2 3.3Å; F166-H170 WeakPolarHBondContact CD2-CD2 3.45Å; F166-H170 AromaticContact CD2-NE2 3.62Å; F166-H170 AromaticContact CE2-CD2 3.27Å; F166-H170 WeakPolarHBondContact CE2-CD2 3.47Å; F166-H170 AromaticContact CE2-NE2 3.53Å; F166-H170 AromaticContact CG-CD2 3.99Å; F166-H170 AromaticContact CZ-CD2 3.95Å; F166-H170 PolarHBondContact O-CD2 3.26Å; F166-H170 PolarHBondContact O-N 3.4Å; F166-H170 VanDerWaalsContact O-N 3.09Å |
| 167 | L | 93.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 178.5 | -64 | -179.4 | 0 | 0 | 0 | 111.7 | F139 V142 M146 F163 L164 S165 T171 L199 I234 | F139-L167 HydrophobicContact CD1-CD2 3.35Å; F139-L167 HydrophobicContact CE1-CD2 3.63Å; V142-L167 HydrophobicContact CG1-CD1 4.39Å; V142-L167 HydrophobicContact CG1-CD2 4.01Å; V142-L167 HydrophobicContact CG1-CG 4.11Å; M146-L167 HydrophobicContact CE-CD1 4.28Å; M146-L167 HydrophobicContact SD-CD1 4.28Å; F163-L167 WeakPolarHBondContact O-CG 3.43Å; F163-L167 PolarHBondContact O-N 3.44Å; L164-L167 PolarHBondContact O-N 2.95Å; S165-L167 PolarHBondContact O-N 3.05Å; L167-T171 WeakPolarHBondContact O-CB 3.44Å; L167-T171 WeakPolarHBondContact O-CG2 3.38Å; L167-T171 PolarHBondContact O-N 3.17Å; L167-T171 VanDerWaalsContact O-N 3.13Å; L167-T171 PolarHBondContact O-OG1 3.05Å; L167-L199 HydrophobicContact CD2-CD1 4.37Å; L167-L199 HydrophobicContact CD2-CD2 4.42Å; L167-I234 HydrophobicContact CB-CD1 3.78Å; L167-I234 HydrophobicContact CB-CG1 4.07Å; L167-I234 HydrophobicContact CD1-CG2 4.49Å |
| 168 | L | 92 | Very high | 87 | Confident | 31 Ų | 31 | 31.1 Ų | 31.1 | 16% | 0.162 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.3 | -45.8 | -177.1 | -72.9 | 167.3 | 0 | 0 | 0 | 111.8 | L164 S165 F166 N172 Q175 T233 I234 R237 | L164-L168 WeakPolarHBondContact O-CB 3.48Å; L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 2.83Å; S165-L168 PolarHBondContact O-N 3.31Å; F166-L168 VanDerWaalsContact C-N 3.34Å; F166-L168 PolarHBondContact O-N 2.96Å; L168-N172 PolarHBondContact O-N 2.81Å; L168-Q175 PolarHBondContact O-OE1 3.15Å; L168-T233 HydrophobicContact CD2-CG2 3.64Å; L168-I234 HydrophobicContact CD2-CD1 3.73Å; L168-I234 HydrophobicContact CD2-CG1 3.74Å; L168-I234 HydrophobicContact CG-CD1 4.12Å; L168-I234 HydrophobicContact CG-CG1 4.1Å; L168-R237 PolarHBondContact O-NH1 3Å |
| 169 | I | 89.5 | Confident | 85.9 | Confident | 17 Ų | 17 | 24.7 Ų | 24.7 | 9% | 0.087 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.8 | -48 | 179.8 | -68.8 | 165 | 0 | 0 | 0 | 110.6 | V106 V109 S165 T171 N172 W176 | V106-I169 HydrophobicContact CG1-CD1 3.79Å; V109-I169 HydrophobicContact CB-CG2 4.03Å; V109-I169 HydrophobicContact CG1-CG2 3.66Å; V109-I169 HydrophobicContact CG2-CG2 4.14Å; S165-I169 WeakPolarHBondContact O-CB 3.12Å; S165-I169 WeakPolarHBondContact O-CD1 3.24Å; S165-I169 VanDerWaalsContact O-CG1 3.25Å; S165-I169 WeakPolarHBondContact O-CG1 3.33Å; S165-I169 PolarHBondContact O-N 3.16Å; I169-T171 VanDerWaalsContact C-N 3.34Å; I169-T171 PolarHBondContact O-N 3.39Å; I169-N172 PolarHBondContact O-N 3.06Å; I169-W176 PolarHBondContact O-NE1 2.82Å |
| 170 | H | 87.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -81.1 | -10.2 | -173.7 | -70.3 | -72.7 | 0 | 0 | 0 | 114.8 | I105 Y118 F139 F166 | I105-H170 WeakPolarHBondContact CG2-NE2 3.43Å; Y118-H170 AromaticContact CD1-CE1 3.87Å; F139-H170 HydrophobicContact CE1-CB 4.16Å; F139-H170 HydrophobicContact CE2-CB 4.26Å; F139-H170 HydrophobicContact CZ-CB 3.46Å; F139-H170 VanDerWaalsContact CZ-CB 3.46Å; F166-H170 AromaticContact CD2-CD2 3.3Å; F166-H170 WeakPolarHBondContact CD2-CD2 3.45Å; F166-H170 AromaticContact CD2-NE2 3.62Å; F166-H170 AromaticContact CE2-CD2 3.27Å; F166-H170 WeakPolarHBondContact CE2-CD2 3.47Å; F166-H170 AromaticContact CE2-NE2 3.53Å; F166-H170 AromaticContact CG-CD2 3.99Å; F166-H170 AromaticContact CZ-CD2 3.95Å; F166-H170 PolarHBondContact O-CD2 3.26Å; F166-H170 PolarHBondContact O-N 3.4Å; F166-H170 VanDerWaalsContact O-N 3.09Å |
| 171 | T | 88.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 4.9 | 174.1 | 60 | 0 | 0 | 0 | 0 | 113.7 | F139 L167 I169 L196 L199 I234 R237 | F139-T171 HydrophobicContact CE1-CG2 3.77Å; F139-T171 HydrophobicContact CZ-CG2 3.74Å; L167-T171 WeakPolarHBondContact O-CB 3.44Å; L167-T171 WeakPolarHBondContact O-CG2 3.38Å; L167-T171 PolarHBondContact O-N 3.17Å; L167-T171 VanDerWaalsContact O-N 3.13Å; L167-T171 PolarHBondContact O-OG1 3.05Å; I169-T171 VanDerWaalsContact C-N 3.34Å; I169-T171 PolarHBondContact O-N 3.39Å; T171-L196 HydrophobicContact CG2-CD2 3.75Å; T171-L196 HydrophobicContact CG2-CG 4.24Å; T171-L199 HydrophobicContact CG2-CD1 4.11Å; T171-I234 WeakPolarHBondContact OG1-CD1 3.32Å; T171-R237 PolarHBondContact OG1-NH1 3.29Å |
| 172 | N | 84.7 | Confident | 82.9 | Confident | 33 Ų | 33 | 40.6 Ų | 40.6 | 18% | 0.176 | 22% | 0.218 | C | C | . | . | trans | -131.2 | 108.3 | 173.7 | -177.3 | 4 | 0 | 0 | 0 | 111.1 | L168 I169 C174 Q175 W176 | L168-N172 PolarHBondContact O-N 2.81Å; I169-N172 PolarHBondContact O-N 3.06Å; N172-C174 PolarHBondContact O-N 3.44Å; N172-C174 VanDerWaalsContact OD1-CB 3.3Å; N172-C174 WeakPolarHBondContact OD1-CB 3.28Å; N172-C174 PolarHBondContact OD1-N 3.35Å; N172-Q175 PolarHBondContact O-N 3.1Å; N172-W176 PolarHBondContact O-NE1 3.26Å | ||
| 173 | C | 77.6 | Confident | 82.1 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.02 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -68.4 | -19.5 | -179.1 | 75.9 | 0 | 0 | 0 | 0 | 113.4 | Q175 W176 M188 N189 | C173-Q175 PolarHBondContact O-N 2.83Å; C173-W176 HydrophobicContact CB-CD2 4.24Å; C173-W176 HydrophobicContact CB-CE3 4.08Å; C173-W176 HydrophobicContact CB-CZ3 4.29Å; C173-W176 WeakPolarHBondContact O-CB 3.25Å; C173-W176 PolarHBondContact O-N 3.09Å; C173-W176 VanDerWaalsContact O-N 3.08Å; C173-M188 HydrophobicContact CB-CB 3.92Å; C173-N189 PolarHBondContact SG-OD1 2.95Å |
| 174 | C | 76.2 | Confident | 81.2 | Confident | 88 Ų | 88 | 50.8 Ų | 50.8 | 60% | 0.595 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -66.8 | -21.1 | 177.8 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | N172 W176 | N172-C174 PolarHBondContact O-N 3.44Å; N172-C174 VanDerWaalsContact OD1-CB 3.3Å; N172-C174 WeakPolarHBondContact OD1-CB 3.28Å; N172-C174 PolarHBondContact OD1-N 3.35Å; C174-W176 VanDerWaalsContact C-N 3.26Å |
| 175 | Q | 73.3 | Confident | 80.6 | Confident | 96 Ų | 96 | 53.7 Ų | 53.7 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -81.7 | -6.4 | 175 | -70 | -176.8 | -51.2 | 0 | 0 | 112.6 | L168 N172 C173 S177 | L168-Q175 PolarHBondContact O-OE1 3.15Å; N172-Q175 PolarHBondContact O-N 3.1Å; C173-Q175 PolarHBondContact O-N 2.83Å; Q175-S177 PolarHBondContact O-N 3.31Å |
| 176 | W | 79.8 | Confident | 80.1 | Confident | 6 Ų | 6 | 58 Ų | 58 | 2% | 0.023 | 29% | 0.292 | C | S | . | . | trans | -87.9 | 93 | -179.7 | -54.7 | -7.5 | 0 | 0 | 0 | 108.7 | V119 W131 I169 N172 C173 C174 L178 V179 M188 L191 | V119-W176 HydrophobicContact CB-CD2 4.45Å; V119-W176 HydrophobicContact CG1-CB 4.04Å; V119-W176 HydrophobicContact CG1-CD2 3.34Å; V119-W176 HydrophobicContact CG1-CE3 3.37Å; V119-W176 HydrophobicContact CG1-CG 3.63Å; V119-W176 HydrophobicContact CG1-CZ3 3.99Å; V119-W176 HydrophobicContact CG2-CD2 4.25Å; V119-W176 HydrophobicContact CG2-CG 4.32Å; W131-W176 HydrophobicContact CH2-CH2 4.12Å; I169-W176 PolarHBondContact O-NE1 2.82Å; N172-W176 PolarHBondContact O-NE1 3.26Å; C173-W176 HydrophobicContact CB-CD2 4.24Å; C173-W176 HydrophobicContact CB-CE3 4.08Å; C173-W176 HydrophobicContact CB-CZ3 4.29Å; C173-W176 WeakPolarHBondContact O-CB 3.25Å; C173-W176 PolarHBondContact O-N 3.09Å; C173-W176 VanDerWaalsContact O-N 3.08Å; C174-W176 VanDerWaalsContact C-N 3.26Å; W176-L178 PolarHBondContact O-N 2.95Å; W176-V179 HydrophobicContact CB-CB 4.48Å; W176-V179 HydrophobicContact CB-CG2 4.05Å; W176-V179 HydrophobicContact CE3-CG2 3.93Å; W176-V179 PolarHBondContact O-N 3.3Å; W176-M188 HydrophobicContact CE3-CB 4.43Å; W176-M188 HydrophobicContact CZ3-CB 3.96Å; W176-M188 HydrophobicContact CZ3-CG 4.09Å; W176-M188 HydrophobicContact CZ3-SD 3.83Å; W176-L191 HydrophobicContact CH2-CD2 4.27Å | ||
| 177 | S | 69.5 | Low | 79.6 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -24.6 | 177.5 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | G112 Q175 | G112-S177 WeakPolarHBondContact CA-OG 3.11Å; Q175-S177 PolarHBondContact O-N 3.31Å |
| 178 | L | 70.6 | Confident | 79.2 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 19% | 0.194 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -16.4 | 178.9 | -70.2 | 161.1 | 0 | 0 | 0 | 114.8 | G112 F114 S117 L123 W176 | G112-L178 WeakPolarHBondContact O-CD2 3.49Å; F114-L178 HydrophobicContact CB-CD2 3.95Å; F114-L178 HydrophobicContact CD2-CD2 4.17Å; S117-L178 VanDerWaalsContact CB-CD1 3.45Å; S117-L178 WeakPolarHBondContact OG-CD1 3.39Å; L123-L178 HydrophobicContact CD1-CB 4.43Å; W176-L178 PolarHBondContact O-N 2.95Å |
| 179 | V | 69.6 | Low | 78.8 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | trans | -103.8 | 83.1 | -177.4 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | L123 W176 L184 K185 M188 | L123-V179 HydrophobicContact CD2-CG2 4.44Å; W176-V179 HydrophobicContact CB-CB 4.48Å; W176-V179 HydrophobicContact CB-CG2 4.05Å; W176-V179 HydrophobicContact CE3-CG2 3.93Å; W176-V179 PolarHBondContact O-N 3.3Å; V179-L184 HydrophobicContact CG1-CB 4.44Å; V179-L184 HydrophobicContact CG1-CD2 3.84Å; V179-L184 HydrophobicContact CG2-CD2 4.29Å; V179-K185 HydrophobicContact CG1-CB 4.37Å; V179-M188 HydrophobicContact CG1-CG 4.29Å; V179-M188 HydrophobicContact CG2-CG 4.34Å | ||
| 180 | Q | 68.2 | Low | 78.7 | Confident | 172 Ų | 172 | 71.5 Ų | 71.5 | 80% | 0.804 | 35% | 0.353 | S | S | * | . | trans | -92.8 | -24.4 | 177.9 | -63.6 | -177.9 | 2.8 | 0 | 0 | 113.3 | E182 | Q180-E182 PolarHBondContact O-N 3.46Š| ||
| 181 | D | 75.5 | Confident | 78.6 | Confident | 89 Ų | 89 | 72.5 Ų | 72.5 | 48% | 0.476 | 36% | 0.358 | S | S | . | . | trans | -76.4 | 120.4 | -178.8 | -176.9 | -6 | 0 | 0 | 0 | 111.2 | K183 L184 K185 | D181-K183 VanDerWaalsContact C-N 3.29Å; D181-K183 PolarHBondContact O-N 3.04Å; D181-K183 PolarHBondContact OD1-N 3.1Å; D181-L184 HydrophobicContact CB-CB 3.93Å; D181-L184 CarbonylContact O-C 3.51Å; D181-L184 WeakPolarHBondContact O-CA 3.42Å; D181-L184 WeakPolarHBondContact O-CB 3.39Å; D181-L184 PolarHBondContact O-N 2.82Å; D181-K185 PolarHBondContact O-N 3.09Å | ||
| 182 | E | 75.4 | Confident | 78.6 | Confident | 128 Ų | 128 | 72.5 Ų | 72.5 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -58.4 | -35.1 | 178.5 | -75.2 | -64.6 | 144.1 | 0 | 0 | 113.2 | Q180 L184 K185 H186 | Q180-E182 PolarHBondContact O-N 3.46Å; E182-L184 VanDerWaalsContact C-N 3.27Å; E182-L184 PolarHBondContact O-N 2.99Å; E182-K185 WeakPolarHBondContact O-CB 3.16Å; E182-K185 PolarHBondContact O-N 2.97Å; E182-K185 IonicContact OE1-NZ 3.57Å; E182-K185 PolarHBondContact OE1-NZ 3.44Å; E182-K185 WeakPolarHBondContact OE2-CD 3.46Å; E182-K185 IonicContact OE2-NZ 3.68Å; E182-H186 PolarHBondContact O-N 2.85Å |
| 183 | K | 76.4 | Confident | 78.8 | Confident | 175 Ų | 175 | 72.3 Ų | 72.3 | 76% | 0.761 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.8 | -37.8 | 175.1 | -70.8 | -178.2 | -179.8 | 175.3 | 0 | 111.1 | D181 | D181-K183 VanDerWaalsContact C-N 3.29Å; D181-K183 PolarHBondContact O-N 3.04Å; D181-K183 PolarHBondContact OD1-N 3.1Å |
| 184 | L | 77.7 | Confident | 79.4 | Confident | 59 Ų | 59 | 74.5 Ų | 74.5 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -76.6 | -34.7 | -178 | -149 | 131.5 | 0 | 0 | 0 | 111 | L123 V179 D181 E182 H186 V187 M188 | L123-L184 HydrophobicContact CD2-CD1 4.42Å; L123-L184 HydrophobicContact CD2-CD2 3.25Å; L123-L184 HydrophobicContact CD2-CG 4.42Å; V179-L184 HydrophobicContact CG1-CB 4.44Å; V179-L184 HydrophobicContact CG1-CD2 3.84Å; V179-L184 HydrophobicContact CG2-CD2 4.29Å; D181-L184 HydrophobicContact CB-CB 3.93Å; D181-L184 CarbonylContact O-C 3.51Å; D181-L184 WeakPolarHBondContact O-CA 3.42Å; D181-L184 WeakPolarHBondContact O-CB 3.39Å; D181-L184 PolarHBondContact O-N 2.82Å; E182-L184 VanDerWaalsContact C-N 3.27Å; E182-L184 PolarHBondContact O-N 2.99Å; L184-H186 VanDerWaalsContact C-N 3.32Å; L184-H186 PolarHBondContact O-N 3.2Å; L184-V187 PolarHBondContact O-N 3.4Å; L184-V187 VanDerWaalsContact O-N 3.12Å; L184-M188 HydrophobicContact CD2-CE 3.83Å; L184-M188 HydrophobicContact CD2-CG 3.8Å; L184-M188 HydrophobicContact CG-CE 4.45Å; L184-M188 WeakPolarHBondContact O-CB 3.31Å; L184-M188 VanDerWaalsContact O-CG 3.27Å; L184-M188 WeakPolarHBondContact O-CG 3.14Å; L184-M188 PolarHBondContact O-N 3.48Å |
| 185 | K | 80 | Confident | 80.1 | Confident | 64 Ų | 64 | 70.3 Ų | 70.3 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.5 | -40.9 | 173.1 | -167.5 | -178.7 | -177.8 | -178.6 | 0 | 112.6 | V179 D181 E182 M188 N189 | V179-K185 HydrophobicContact CG1-CB 4.37Å; D181-K185 PolarHBondContact O-N 3.09Å; E182-K185 WeakPolarHBondContact O-CB 3.16Å; E182-K185 PolarHBondContact O-N 2.97Å; E182-K185 IonicContact OE1-NZ 3.57Å; E182-K185 PolarHBondContact OE1-NZ 3.44Å; E182-K185 WeakPolarHBondContact OE2-CD 3.46Å; E182-K185 IonicContact OE2-NZ 3.68Å; K185-M188 PolarHBondContact O-N 3.19Å; K185-N189 WeakPolarHBondContact O-CB 3.48Å; K185-N189 PolarHBondContact O-N 2.98Å; K185-N189 PolarHBondContact O-ND2 2.64Å |
| 186 | H | 82.3 | Confident | 81 | Confident | 137 Ų | 137 | 65.9 Ų | 65.9 | 63% | 0.634 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.6 | -44.6 | 174.4 | -174.4 | -52.4 | 0 | 0 | 0 | 112.1 | E182 L184 M188 N189 R190 | E182-H186 PolarHBondContact O-N 2.85Å; L184-H186 VanDerWaalsContact C-N 3.32Å; L184-H186 PolarHBondContact O-N 3.2Å; H186-M188 VanDerWaalsContact C-N 3.34Å; H186-N189 PolarHBondContact O-N 2.94Å; H186-R190 PolarHBondContact O-N 3.43Å; H186-R190 VanDerWaalsContact O-N 3.17Å |
| 187 | V | 83.2 | Confident | 81.6 | Confident | 87 Ų | 87 | 70 Ų | 70 | 53% | 0.527 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 178.6 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | L184 R190 L191 | L184-V187 PolarHBondContact O-N 3.4Å; L184-V187 VanDerWaalsContact O-N 3.12Å; V187-R190 WeakPolarHBondContact O-CB 3.1Å; V187-R190 PolarHBondContact O-N 2.85Å; V187-L191 PolarHBondContact O-N 3.07Å; V187-L191 VanDerWaalsContact O-N 3.13Å |
| 188 | M | 84.5 | Confident | 82.7 | Confident | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.049 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.1 | -34.5 | 179.4 | -66.3 | -57 | 145.6 | 0 | 0 | 112.7 | A122 L123 C173 W176 V179 L184 K185 H186 L191 A192 | A122-M188 HydrophobicContact CB-SD 4.27Å; L123-M188 HydrophobicContact CD2-CE 4.1Å; C173-M188 HydrophobicContact CB-CB 3.92Å; W176-M188 HydrophobicContact CE3-CB 4.43Å; W176-M188 HydrophobicContact CZ3-CB 3.96Å; W176-M188 HydrophobicContact CZ3-CG 4.09Å; W176-M188 HydrophobicContact CZ3-SD 3.83Å; V179-M188 HydrophobicContact CG1-CG 4.29Å; V179-M188 HydrophobicContact CG2-CG 4.34Å; L184-M188 HydrophobicContact CD2-CE 3.83Å; L184-M188 HydrophobicContact CD2-CG 3.8Å; L184-M188 HydrophobicContact CG-CE 4.45Å; L184-M188 WeakPolarHBondContact O-CB 3.31Å; L184-M188 VanDerWaalsContact O-CG 3.27Å; L184-M188 WeakPolarHBondContact O-CG 3.14Å; L184-M188 PolarHBondContact O-N 3.48Å; K185-M188 PolarHBondContact O-N 3.19Å; H186-M188 VanDerWaalsContact C-N 3.34Å; M188-L191 WeakPolarHBondContact O-CB 3.49Å; M188-L191 PolarHBondContact O-N 3.43Å; M188-A192 PolarHBondContact O-N 3.4Å |
| 189 | N | 85 | Confident | 83.8 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 24% | 0.235 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 170.1 | -89.7 | -41 | 0 | 0 | 0 | 111.8 | C173 K185 H186 L191 A192 T193 | C173-N189 PolarHBondContact SG-OD1 2.95Å; K185-N189 WeakPolarHBondContact O-CB 3.48Å; K185-N189 PolarHBondContact O-N 2.98Å; K185-N189 PolarHBondContact O-ND2 2.64Å; H186-N189 PolarHBondContact O-N 2.94Å; N189-L191 PolarHBondContact O-N 3.27Å; N189-A192 WeakPolarHBondContact O-CB 3.49Å; N189-A192 PolarHBondContact O-N 2.83Å; N189-A192 VanDerWaalsContact O-N 3.12Å; N189-T193 PolarHBondContact O-N 2.98Å; N189-T193 PolarHBondContact O-OG1 2.84Å; N189-T193 VanDerWaalsContact O-OG1 3.05Å |
| 190 | R | 86.5 | Confident | 84.9 | Confident | 189 Ų | 189 | 67 Ų | 67 | 71% | 0.713 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60 | -34.7 | 175.8 | -172.4 | 174.4 | -177.5 | 166.8 | 2 | 112.1 | H186 V187 T194 | H186-R190 PolarHBondContact O-N 3.43Å; H186-R190 VanDerWaalsContact O-N 3.17Å; V187-R190 WeakPolarHBondContact O-CB 3.1Å; V187-R190 PolarHBondContact O-N 2.85Å; R190-T194 PolarHBondContact O-N 3.29Å; R190-T194 PolarHBondContact O-OG1 2.74Å |
| 191 | L | 87.2 | Confident | 86.1 | Confident | 22 Ų | 22 | 66 Ų | 66 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.8 | -41.6 | 175.9 | -171.5 | 147.7 | 0 | 0 | 0 | 111.7 | L128 W131 I132 W176 V187 M188 N189 T193 T194 F195 | L128-L191 HydrophobicContact CD1-CD1 4.12Å; W131-L191 HydrophobicContact CH2-CD2 3.8Å; W131-L191 HydrophobicContact CZ3-CD1 3.92Å; W131-L191 HydrophobicContact CZ3-CD2 3.56Å; W131-L191 HydrophobicContact CZ3-CG 4.38Å; I132-L191 HydrophobicContact CD1-CD1 3.86Å; I132-L191 HydrophobicContact CG1-CD1 3.96Å; W176-L191 HydrophobicContact CH2-CD2 4.27Å; V187-L191 PolarHBondContact O-N 3.07Å; V187-L191 VanDerWaalsContact O-N 3.13Å; M188-L191 WeakPolarHBondContact O-CB 3.49Å; M188-L191 PolarHBondContact O-N 3.43Å; N189-L191 PolarHBondContact O-N 3.27Å; L191-T193 VanDerWaalsContact C-N 3.34Å; L191-T193 PolarHBondContact O-N 3.3Å; L191-T194 WeakPolarHBondContact O-CA 3.22Å; L191-T194 WeakPolarHBondContact O-CB 3.39Å; L191-T194 PolarHBondContact O-N 2.69Å; L191-T194 VanDerWaalsContact O-N 3.1Å; L191-F195 HydrophobicContact CD2-CD2 3.67Å; L191-F195 HydrophobicContact CD2-CE1 4.41Å; L191-F195 HydrophobicContact CD2-CE2 3.09Å; L191-F195 HydrophobicContact CD2-CZ 3.52Å; L191-F195 HydrophobicContact CG-CE2 4.3Å; L191-F195 HydrophobicContact CG-CZ 4.42Å; L191-F195 PolarHBondContact O-N 2.86Å |
| 192 | A | 87.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M188 N189 T194 F195 L196 | M188-A192 PolarHBondContact O-N 3.4Å; N189-A192 WeakPolarHBondContact O-CB 3.49Å; N189-A192 PolarHBondContact O-N 2.83Å; N189-A192 VanDerWaalsContact O-N 3.12Å; A192-T194 VanDerWaalsContact C-N 3.3Å; A192-T194 PolarHBondContact O-N 2.87Å; A192-F195 WeakPolarHBondContact O-CB 3.42Å; A192-F195 PolarHBondContact O-N 2.75Å; A192-F195 VanDerWaalsContact O-N 3.12Å; A192-L196 WeakPolarHBondContact O-CG 3.33Å; A192-L196 PolarHBondContact O-N 3.47Å |
| 193 | T | 88.4 | Confident | 87.8 | Confident | 29 Ų | 29 | 68.5 Ų | 68.5 | 18% | 0.178 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.2 | -40.7 | 172.3 | -49.2 | 0 | 0 | 0 | 0 | 111.7 | N189 L191 F195 L196 Q197 | N189-T193 PolarHBondContact O-N 2.98Å; N189-T193 PolarHBondContact O-OG1 2.84Å; N189-T193 VanDerWaalsContact O-OG1 3.05Å; L191-T193 VanDerWaalsContact C-N 3.34Å; L191-T193 PolarHBondContact O-N 3.3Å; T193-F195 VanDerWaalsContact C-N 3.29Å; T193-F195 PolarHBondContact O-N 3.48Å; T193-L196 PolarHBondContact O-N 2.9Å; T193-Q197 WeakPolarHBondContact O-CG 3.48Å; T193-Q197 PolarHBondContact O-N 3.31Å |
| 194 | T | 90.5 | Very high | 88.7 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.9 | -34.1 | 176.6 | -55.2 | 0 | 0 | 0 | 0 | 112.2 | R190 L191 A192 H198 | R190-T194 PolarHBondContact O-N 3.29Å; R190-T194 PolarHBondContact O-OG1 2.74Å; L191-T194 WeakPolarHBondContact O-CA 3.22Å; L191-T194 WeakPolarHBondContact O-CB 3.39Å; L191-T194 PolarHBondContact O-N 2.69Å; L191-T194 VanDerWaalsContact O-N 3.1Å; A192-T194 VanDerWaalsContact C-N 3.3Å; A192-T194 PolarHBondContact O-N 2.87Å; T194-H198 WeakPolarHBondContact O-CB 3.44Å; T194-H198 PolarHBondContact O-N 3.45Å; T194-H198 VanDerWaalsContact O-N 3.1Å |
| 195 | F | 92.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.8 | -40 | 173.5 | -69.1 | -36.9 | 0 | 0 | 0 | 112.4 | W131 I132 T135 K136 F139 L191 A192 T193 H198 L199 | W131-F195 HydrophobicContact CE3-CZ 4.41Å; W131-F195 AromaticContact CH2-CE2 3.67Å; W131-F195 HydrophobicContact CH2-CE2 3.67Å; W131-F195 AromaticContact CH2-CZ 3.81Å; W131-F195 HydrophobicContact CH2-CZ 3.81Å; W131-F195 HydrophobicContact CZ2-CE2 4.43Å; W131-F195 HydrophobicContact CZ2-CZ 4.49Å; W131-F195 HydrophobicContact CZ3-CE2 4.03Å; W131-F195 AromaticContact CZ3-CZ 3.77Å; W131-F195 HydrophobicContact CZ3-CZ 3.77Å; I132-F195 HydrophobicContact CG2-CE1 4.16Å; T135-F195 HydrophobicContact CG2-CE1 4.15Å; T135-F195 HydrophobicContact CG2-CE2 4.03Å; T135-F195 HydrophobicContact CG2-CZ 3.74Å; K136-F195 HydrophobicContact CG-CD1 3.92Å; K136-F195 HydrophobicContact CG-CE1 4Å; F139-F195 HydrophobicContact CD2-CB 4.18Å; F139-F195 HydrophobicContact CD2-CD1 4.11Å; F139-F195 HydrophobicContact CD2-CG 4.1Å; F139-F195 HydrophobicContact CE2-CB 3.64Å; F139-F195 AromaticContact CE2-CD1 3.88Å; F139-F195 HydrophobicContact CE2-CD1 3.88Å; F139-F195 AromaticContact CE2-CD2 3.63Å; F139-F195 HydrophobicContact CE2-CD2 3.63Å; F139-F195 HydrophobicContact CE2-CE1 4.38Å; F139-F195 HydrophobicContact CE2-CE2 4.11Å; F139-F195 AromaticContact CE2-CG 3.48Å; F139-F195 HydrophobicContact CE2-CG 3.48Å; F139-F195 VanDerWaalsContact CE2-CG 3.48Å; F139-F195 HydrophobicContact CE2-CZ 4.49Å; F139-F195 HydrophobicContact CZ-CB 4.17Å; F139-F195 HydrophobicContact CZ-CD2 4.25Å; F139-F195 HydrophobicContact CZ-CG 4.31Å; L191-F195 HydrophobicContact CD2-CD2 3.67Å; L191-F195 HydrophobicContact CD2-CE1 4.41Å; L191-F195 HydrophobicContact CD2-CE2 3.09Å; L191-F195 HydrophobicContact CD2-CZ 3.52Å; L191-F195 HydrophobicContact CG-CE2 4.3Å; L191-F195 HydrophobicContact CG-CZ 4.42Å; L191-F195 PolarHBondContact O-N 2.86Å; A192-F195 WeakPolarHBondContact O-CB 3.42Å; A192-F195 PolarHBondContact O-N 2.75Å; A192-F195 VanDerWaalsContact O-N 3.12Å; T193-F195 VanDerWaalsContact C-N 3.29Å; T193-F195 PolarHBondContact O-N 3.48Å; F195-H198 WeakPolarHBondContact O-CB 3.44Å; F195-H198 PolarHBondContact O-N 2.79Å; F195-L199 PolarHBondContact O-N 2.96Å |
| 196 | L | 91.7 | Very high | 90.2 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 173.7 | -69.2 | 170.9 | 0 | 0 | 0 | 111.3 | T171 A192 T193 H198 L199 V200 R237 P238 Y241 | T171-L196 HydrophobicContact CG2-CD2 3.75Å; T171-L196 HydrophobicContact CG2-CG 4.24Å; A192-L196 WeakPolarHBondContact O-CG 3.33Å; A192-L196 PolarHBondContact O-N 3.47Å; T193-L196 PolarHBondContact O-N 2.9Å; L196-H198 VanDerWaalsContact C-N 3.28Å; L196-H198 PolarHBondContact O-N 3.12Å; L196-L199 WeakPolarHBondContact O-CB 3.44Å; L196-L199 PolarHBondContact O-N 3.06Å; L196-L199 VanDerWaalsContact O-N 3.16Å; L196-V200 WeakPolarHBondContact O-CG2 3.27Å; L196-V200 PolarHBondContact O-N 2.69Å; L196-R237 HydrophobicContact CD1-CB 3.96Å; L196-R237 HydrophobicContact CD2-CB 4.05Å; L196-P238 HydrophobicContact CB-CG 4.48Å; L196-P238 HydrophobicContact CD2-CG 4.19Å; L196-Y241 HydrophobicContact CD1-CD2 3.39Å; L196-Y241 HydrophobicContact CD1-CE2 3.81Å; L196-Y241 HydrophobicContact CD1-CG 4.11Å |
| 197 | Q | 91.5 | Very high | 90.9 | Very high | 92 Ų | 92 | 52.5 Ų | 52.5 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.8 | -42.3 | 173.3 | -77.3 | 175.9 | -9.2 | 0 | 0 | 112.2 | T193 V200 Q201 E242 | T193-Q197 WeakPolarHBondContact O-CG 3.48Å; T193-Q197 PolarHBondContact O-N 3.31Å; Q197-V200 PolarHBondContact O-N 2.98Å; Q197-Q201 WeakPolarHBondContact O-CB 3.27Å; Q197-Q201 PolarHBondContact O-N 2.89Å; Q197-E242 WeakPolarHBondContact CG-OE1 3.43Å; Q197-E242 PolarHBondContact NE2-OE1 3.25Å |
| 198 | H | 93.2 | Very high | 91.5 | Very high | 25 Ų | 25 | 48.4 Ų | 48.4 | 12% | 0.116 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 176.8 | -173.7 | 63.1 | 0 | 0 | 0 | 112.4 | K136 S140 T194 F195 L196 Q201 K202 | K136-H198 HydrophobicContact CD-CB 4.27Å; K136-H198 HydrophobicContact CG-CB 4.22Å; K136-H198 PolarHBondContact O-CD2 3.47Å; K136-H198 PolarHBondContact O-NE2 3.3Å; S140-H198 PolarHBondContact OG-NE2 2.86Å; S140-H198 VanDerWaalsContact OG-NE2 3.14Å; T194-H198 WeakPolarHBondContact O-CB 3.44Å; T194-H198 PolarHBondContact O-N 3.45Å; T194-H198 VanDerWaalsContact O-N 3.1Å; F195-H198 WeakPolarHBondContact O-CB 3.44Å; F195-H198 PolarHBondContact O-N 2.79Å; L196-H198 VanDerWaalsContact C-N 3.28Å; L196-H198 PolarHBondContact O-N 3.12Å; H198-Q201 PolarHBondContact O-N 3.3Å; H198-K202 WeakPolarHBondContact O-CB 3.4Å; H198-K202 VanDerWaalsContact O-CG 3.28Å; H198-K202 WeakPolarHBondContact O-CG 3.41Å; H198-K202 PolarHBondContact O-N 2.86Å |
| 199 | L | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 175.7 | -81.2 | 171 | 0 | 0 | 0 | 111.4 | F139 A143 L167 T171 F195 L196 K202 R203 L204 | F139-L199 HydrophobicContact CB-CD2 3.68Å; F139-L199 HydrophobicContact CB-CG 4.12Å; F139-L199 HydrophobicContact CD1-CD1 3.76Å; F139-L199 HydrophobicContact CD1-CD2 3.93Å; F139-L199 HydrophobicContact CD1-CG 4.03Å; F139-L199 HydrophobicContact CE1-CD1 4.04Å; F139-L199 HydrophobicContact CG-CD1 4.35Å; F139-L199 HydrophobicContact CG-CD2 4.13Å; F139-L199 HydrophobicContact CG-CG 4.19Å; A143-L199 HydrophobicContact CB-CD2 4.33Å; L167-L199 HydrophobicContact CD2-CD1 4.37Å; L167-L199 HydrophobicContact CD2-CD2 4.42Å; T171-L199 HydrophobicContact CG2-CD1 4.11Å; F195-L199 PolarHBondContact O-N 2.96Å; L196-L199 WeakPolarHBondContact O-CB 3.44Å; L196-L199 PolarHBondContact O-N 3.06Å; L196-L199 VanDerWaalsContact O-N 3.16Å; L199-K202 CarbonylContact O-C 3.54Å; L199-K202 WeakPolarHBondContact O-CA 3.27Å; L199-K202 PolarHBondContact O-N 2.89Å; L199-R203 PolarHBondContact O-N 3.11Å; L199-L204 HydrophobicContact CB-CB 4.17Å; L199-L204 HydrophobicContact CB-CD2 4.1Å; L199-L204 HydrophobicContact CB-CG 4.5Å; L199-L204 HydrophobicContact CD2-CD1 4.49Å; L199-L204 VanDerWaalsContact O-CB 3.32Å; L199-L204 WeakPolarHBondContact O-CB 3.17Å; L199-L204 PolarHBondContact O-N 3.31Å |
| 200 | V | 92.8 | Very high | 92.4 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 21% | 0.206 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.7 | -48.1 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | L196 Q197 K202 R203 F205 P238 L248 | L196-V200 WeakPolarHBondContact O-CG2 3.27Å; L196-V200 PolarHBondContact O-N 2.69Å; Q197-V200 PolarHBondContact O-N 2.98Å; V200-K202 PolarHBondContact O-N 2.9Å; V200-K202 VanDerWaalsContact O-N 3.16Å; V200-R203 PolarHBondContact O-N 3Å; V200-F205 HydrophobicContact CG1-CE2 4.49Å; V200-F205 HydrophobicContact CG2-CE2 4.2Å; V200-P238 HydrophobicContact CG2-CB 3.82Å; V200-P238 HydrophobicContact CG2-CG 3.9Å; V200-L248 HydrophobicContact CG1-CD2 3.46Å; V200-L248 VanDerWaalsContact CG1-CD2 3.46Å; V200-L248 HydrophobicContact CG2-CD2 4.43Å |
| 201 | Q | 93.2 | Very high | 92.8 | Very high | 150 Ų | 150 | 39.9 Ų | 39.9 | 70% | 0.701 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -57.8 | -30.8 | 175.3 | -170.7 | -174.2 | 20 | 0 | 0 | 112.1 | Q197 H198 R203 | Q197-Q201 WeakPolarHBondContact O-CB 3.27Å; Q197-Q201 PolarHBondContact O-N 2.89Å; H198-Q201 PolarHBondContact O-N 3.3Å; Q201-R203 VanDerWaalsContact C-N 3.29Å; Q201-R203 PolarHBondContact O-N 3.49Å |
| 202 | K | 93.1 | Very high | 93.2 | Very high | 102 Ų | 102 | 38.9 Ų | 38.9 | 44% | 0.443 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 33.2 | 175.9 | -65.1 | -69.3 | -176.7 | -175.4 | 0 | 112.7 | H198 L199 V200 L204 H207 | H198-K202 WeakPolarHBondContact O-CB 3.4Å; H198-K202 VanDerWaalsContact O-CG 3.28Å; H198-K202 WeakPolarHBondContact O-CG 3.41Å; H198-K202 PolarHBondContact O-N 2.86Å; L199-K202 CarbonylContact O-C 3.54Å; L199-K202 WeakPolarHBondContact O-CA 3.27Å; L199-K202 PolarHBondContact O-N 2.89Å; V200-K202 PolarHBondContact O-N 2.9Å; V200-K202 VanDerWaalsContact O-N 3.16Å; K202-L204 PolarHBondContact O-N 3.44Å; K202-H207 PolarHBondContact O-CE1 3.47Å; K202-H207 PolarHBondContact O-ND1 3.23Å |
| 203 | R | 93.5 | Very high | 93.4 | Very high | 167 Ų | 167 | 40.1 Ų | 40.1 | 63% | 0.63 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 37.2 | 169.4 | -61.5 | -176.6 | 179.9 | 178.7 | -1.6 | 114.5 | L199 V200 Q201 F205 E206 H207 | L199-R203 PolarHBondContact O-N 3.11Å; V200-R203 PolarHBondContact O-N 3Å; Q201-R203 VanDerWaalsContact C-N 3.29Å; Q201-R203 PolarHBondContact O-N 3.49Å; R203-F205 VanDerWaalsContact C-N 3.27Å; R203-F205 PolarHBondContact O-N 3.1Å; R203-E206 WeakPolarHBondContact CA-OE2 3.06Å; R203-E206 HydrophobicContact CB-CB 4.18Å; R203-E206 HydrophobicContact CB-CG 4.34Å; R203-E206 WeakPolarHBondContact CB-OE2 3.38Å; R203-E206 PolarHBondContact O-N 3.42Å; R203-E206 VanDerWaalsContact O-OE2 3.1Å; R203-H207 PolarHBondContact O-N 3.33Å; R203-H207 VanDerWaalsContact O-N 3.09Å; R203-H207 PolarHBondContact O-ND1 3.13Å |
| 204 | L | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -48.5 | -48.6 | -179.8 | 174.5 | 64.2 | 0 | 0 | 0 | 112.5 | L199 K202 E206 H207 L208 I234 P238 | L199-L204 HydrophobicContact CB-CB 4.17Å; L199-L204 HydrophobicContact CB-CD2 4.1Å; L199-L204 HydrophobicContact CB-CG 4.5Å; L199-L204 HydrophobicContact CD2-CD1 4.49Å; L199-L204 VanDerWaalsContact O-CB 3.32Å; L199-L204 WeakPolarHBondContact O-CB 3.17Å; L199-L204 PolarHBondContact O-N 3.31Å; K202-L204 PolarHBondContact O-N 3.44Å; L204-E206 VanDerWaalsContact C-N 3.34Å; L204-E206 PolarHBondContact O-N 3.31Å; L204-H207 PolarHBondContact O-N 2.92Å; L204-L208 HydrophobicContact CD1-CD1 4.07Å; L204-L208 HydrophobicContact CD1-CG 4.09Å; L204-L208 HydrophobicContact CG-CD1 3.97Å; L204-L208 HydrophobicContact CG-CG 4.37Å; L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 3.39Å; L204-I234 HydrophobicContact CD1-CG2 3.96Å; L204-I234 HydrophobicContact CD2-CG2 4Å; L204-I234 HydrophobicContact CG-CG2 4.49Å; L204-P238 HydrophobicContact CD2-CG 4.2Å |
| 205 | F | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.8 | -37.1 | -176.2 | -65.8 | -64.5 | 0 | 0 | 0 | 112.6 | V200 R203 L208 N209 A235 L248 S251 F252 N255 I256 | V200-F205 HydrophobicContact CG1-CE2 4.49Å; V200-F205 HydrophobicContact CG2-CE2 4.2Å; R203-F205 VanDerWaalsContact C-N 3.27Å; R203-F205 PolarHBondContact O-N 3.1Å; F205-L208 PolarHBondContact O-N 3.12Å; F205-N209 WeakPolarHBondContact O-CB 3.38Å; F205-N209 PolarHBondContact O-N 3.34Å; F205-A235 HydrophobicContact CE1-CB 4.5Å; F205-L248 HydrophobicContact CE2-CD2 4.29Å; F205-S251 WeakPolarHBondContact CD2-OG 3.43Å; F205-F252 HydrophobicContact CE1-CB 4.25Å; F205-F252 AromaticContact CE1-CD2 3.96Å; F205-F252 HydrophobicContact CE1-CD2 3.96Å; F205-F252 HydrophobicContact CZ-CB 4.48Å; F205-N255 HydrophobicContact CB-CB 3.79Å; F205-I256 HydrophobicContact CD1-CD1 4.31Å; F205-I256 HydrophobicContact CD1-CG1 4Å |
| 206 | E | 95.2 | Very high | 93.7 | Very high | 64 Ų | 64 | 39.9 Ų | 39.9 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.4 | -40.4 | 174.5 | -63.1 | 85.9 | 164.8 | 0 | 0 | 111.8 | R203 L204 N209 A210 R254 | R203-E206 WeakPolarHBondContact CA-OE2 3.06Å; R203-E206 HydrophobicContact CB-CB 4.18Å; R203-E206 HydrophobicContact CB-CG 4.34Å; R203-E206 WeakPolarHBondContact CB-OE2 3.38Å; R203-E206 PolarHBondContact O-N 3.42Å; R203-E206 VanDerWaalsContact O-OE2 3.1Å; L204-E206 VanDerWaalsContact C-N 3.34Å; L204-E206 PolarHBondContact O-N 3.31Å; E206-N209 WeakPolarHBondContact O-CB 3.25Å; E206-N209 PolarHBondContact O-N 3.26Å; E206-A210 PolarHBondContact O-N 2.92Å; E206-R254 IonicContact OE1-CZ 2.97Å; E206-R254 IonicContact OE1-NH2 3.54Å; E206-R254 PolarHBondContact OE1-NH2 3.45Å |
| 207 | H | 95.7 | Very high | 93.6 | Very high | 35 Ų | 35 | 39.8 Ų | 39.8 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.4 | -40 | 175.4 | -62.9 | 108.5 | 0 | 0 | 0 | 111.6 | A143 M146 K202 R203 L204 A210 V211 | A143-H207 HydrophobicContact CB-CB 4.43Å; A143-H207 WeakPolarHBondContact O-CB 3.19Å; A143-H207 PolarHBondContact O-CD2 2.96Å; A143-H207 VanDerWaalsContact O-CG 3.3Å; M146-H207 HydrophobicContact CE-CB 4.39Å; K202-H207 PolarHBondContact O-CE1 3.47Å; K202-H207 PolarHBondContact O-ND1 3.23Å; R203-H207 PolarHBondContact O-N 3.33Å; R203-H207 VanDerWaalsContact O-N 3.09Å; R203-H207 PolarHBondContact O-ND1 3.13Å; L204-H207 PolarHBondContact O-N 2.92Å; H207-A210 PolarHBondContact O-N 2.81Å; H207-V211 PolarHBondContact O-N 3.2Å |
| 208 | L | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -41.4 | 174.7 | -68 | 176.3 | 0 | 0 | 0 | 111.8 | M146 L204 F205 A210 V211 L212 I231 I234 A235 I256 | M146-L208 HydrophobicContact CE-CD2 3.46Å; M146-L208 VanDerWaalsContact CE-CD2 3.46Å; M146-L208 HydrophobicContact CE-CG 4.23Å; M146-L208 HydrophobicContact SD-CD2 4.24Å; L204-L208 HydrophobicContact CD1-CD1 4.07Å; L204-L208 HydrophobicContact CD1-CG 4.09Å; L204-L208 HydrophobicContact CG-CD1 3.97Å; L204-L208 HydrophobicContact CG-CG 4.37Å; L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 3.39Å; F205-L208 PolarHBondContact O-N 3.12Å; L208-A210 VanDerWaalsContact C-N 3.33Å; L208-A210 PolarHBondContact O-N 3.3Å; L208-V211 PolarHBondContact O-N 2.73Å; L208-L212 VanDerWaalsContact O-CB 3.32Å; L208-L212 WeakPolarHBondContact O-CB 3.45Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.34Å; L208-L212 PolarHBondContact O-N 3.36Å; L208-I231 HydrophobicContact CD2-CG1 4.32Å; L208-I231 HydrophobicContact CD2-CG2 4.09Å; L208-I234 HydrophobicContact CD1-CG2 4.39Å; L208-A235 HydrophobicContact CD1-CB 3.93Å; L208-I256 HydrophobicContact CB-CD1 3.92Å; L208-I256 HydrophobicContact CD1-CD1 4.42Å |
| 209 | N | 95.1 | Very high | 93.1 | Very high | 36 Ų | 36 | 44.3 Ų | 44.3 | 19% | 0.193 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56 | -47.4 | 174.1 | 177.6 | -83.4 | 0 | 0 | 0 | 111.1 | F205 E206 V211 L212 Q213 N255 | F205-N209 WeakPolarHBondContact O-CB 3.38Å; F205-N209 PolarHBondContact O-N 3.34Å; E206-N209 WeakPolarHBondContact O-CB 3.25Å; E206-N209 PolarHBondContact O-N 3.26Å; N209-V211 VanDerWaalsContact C-N 3.29Å; N209-V211 PolarHBondContact O-N 3.21Å; N209-L212 PolarHBondContact O-N 2.92Å; N209-L212 VanDerWaalsContact O-N 3.16Å; N209-Q213 WeakPolarHBondContact O-CB 3.5Å; N209-Q213 VanDerWaalsContact O-CG 3.26Å; N209-Q213 WeakPolarHBondContact O-CG 3.29Å; N209-Q213 PolarHBondContact O-N 2.84Å; N209-N255 HydrophobicContact CB-CB 4.11Å; N209-N255 VanDerWaalsContact CB-O 3.29Å; N209-N255 WeakPolarHBondContact CB-O 3.37Å; N209-N255 PolarHBondContact ND2-O 3.23Å |
| 210 | A | 94.3 | Very high | 92.7 | Very high | 29 Ų | 29 | 49.6 Ų | 49.6 | 24% | 0.24 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57 | -40.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E206 H207 L208 K214 | E206-A210 PolarHBondContact O-N 2.92Å; H207-A210 PolarHBondContact O-N 2.81Å; L208-A210 VanDerWaalsContact C-N 3.33Å; L208-A210 PolarHBondContact O-N 3.3Å; A210-K214 WeakPolarHBondContact O-CG 3.07Å; A210-K214 PolarHBondContact O-N 3.17Å |
| 211 | V | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.1 | -44.1 | 176 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | M146 P151 L160 H207 L208 N209 Q213 K214 G215 L223 I231 | M146-V211 HydrophobicContact CG-CG2 3.67Å; M146-V211 WeakPolarHBondContact O-CG2 3.44Å; P151-V211 HydrophobicContact CG-CG1 3.89Å; L160-V211 HydrophobicContact CD1-CG1 3.99Å; L160-V211 HydrophobicContact CD1-CG2 4.48Å; L160-V211 HydrophobicContact CD2-CG1 3.75Å; H207-V211 PolarHBondContact O-N 3.2Å; L208-V211 PolarHBondContact O-N 2.73Å; N209-V211 VanDerWaalsContact C-N 3.29Å; N209-V211 PolarHBondContact O-N 3.21Å; V211-Q213 VanDerWaalsContact C-N 3.34Å; V211-Q213 PolarHBondContact O-N 3.43Å; V211-K214 PolarHBondContact O-N 3.34Å; V211-G215 PolarHBondContact O-N 3.29Å; V211-L223 HydrophobicContact CG1-CD2 4.29Å; V211-I231 HydrophobicContact CG1-CD1 3.98Å |
| 212 | L | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 179.7 | -77.7 | 173 | 0 | 0 | 0 | 111.7 | L208 N209 G215 L216 L223 L228 I231 I256 V259 F262 | L208-L212 VanDerWaalsContact O-CB 3.32Å; L208-L212 WeakPolarHBondContact O-CB 3.45Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.34Å; L208-L212 PolarHBondContact O-N 3.36Å; N209-L212 PolarHBondContact O-N 2.92Å; N209-L212 VanDerWaalsContact O-N 3.16Å; L212-G215 PolarHBondContact O-N 3.49Å; L212-L216 HydrophobicContact CD2-CD1 4.02Å; L212-L216 WeakPolarHBondContact O-CB 3.22Å; L212-L216 PolarHBondContact O-N 3.4Å; L212-L223 HydrophobicContact CD2-CD1 3.87Å; L212-L228 HydrophobicContact CD2-CD1 4.12Å; L212-I231 HydrophobicContact CD1-CG2 3.96Å; L212-I231 HydrophobicContact CD2-CD1 4.25Å; L212-I231 HydrophobicContact CD2-CG2 3.79Å; L212-I231 HydrophobicContact CG-CG2 3.93Å; L212-I256 HydrophobicContact CD1-CD1 3.77Å; L212-I256 HydrophobicContact CD1-CG2 4.33Å; L212-V259 HydrophobicContact CB-CB 4.49Å; L212-V259 HydrophobicContact CB-CG1 3.97Å; L212-V259 HydrophobicContact CB-CG2 3.81Å; L212-V259 HydrophobicContact CD1-CG2 4.18Å; L212-F262 HydrophobicContact CD1-CD2 4.19Å; L212-F262 HydrophobicContact CD1-CE2 3.87Å; L212-F262 HydrophobicContact CD2-CD2 4.02Å; L212-F262 HydrophobicContact CD2-CE2 3.89Å |
| 213 | Q | 92.5 | Very high | 92.3 | Very high | 27 Ų | 27 | 39.5 Ų | 39.5 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -51.3 | 175.5 | -68.8 | -65.1 | -6.4 | 0 | 0 | 110.9 | N209 V211 G215 A217 | N209-Q213 WeakPolarHBondContact O-CB 3.5Å; N209-Q213 VanDerWaalsContact O-CG 3.26Å; N209-Q213 WeakPolarHBondContact O-CG 3.29Å; N209-Q213 PolarHBondContact O-N 2.84Å; V211-Q213 VanDerWaalsContact C-N 3.34Å; V211-Q213 PolarHBondContact O-N 3.43Å; Q213-G215 PolarHBondContact O-N 3.48Å; Q213-A217 WeakPolarHBondContact O-CB 3.38Å; Q213-A217 PolarHBondContact O-N 3.21Å |
| 214 | K | 92 | Very high | 92.1 | Very high | 72 Ų | 72 | 34.2 Ų | 34.2 | 31% | 0.313 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.9 | -31.6 | 177.4 | -70.4 | 171.7 | 179.4 | 175 | 0 | 113.1 | S147 S148 L149 A210 V211 R218 | S147-K214 PolarHBondContact O-NZ 3.13Å; S148-K214 VanDerWaalsContact C-NZ 3.26Å; S148-K214 PolarHBondContact O-NZ 3.42Å; L149-K214 WeakPolarHBondContact O-CD 3.48Å; L149-K214 PolarHBondContact O-NZ 3.36Å; A210-K214 WeakPolarHBondContact O-CG 3.07Å; A210-K214 PolarHBondContact O-N 3.17Å; V211-K214 PolarHBondContact O-N 3.34Å; K214-R218 PolarHBondContact O-NE 3.33Å; K214-R218 PolarHBondContact O-NH2 2.93Å |
| 215 | G | 91.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -86.9 | -36.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | V211 L212 Q213 A222 | V211-G215 PolarHBondContact O-N 3.29Å; L212-G215 PolarHBondContact O-N 3.49Å; Q213-G215 PolarHBondContact O-N 3.48Å; G215-A222 PolarHBondContact O-N 3.4Å |
| 216 | L | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -111.8 | -22.6 | -171.8 | -59.2 | -175.9 | 0 | 0 | 0 | 114.1 | L212 R218 P221 L223 L228 V259 F262 H265 | L212-L216 HydrophobicContact CD2-CD1 4.02Å; L212-L216 WeakPolarHBondContact O-CB 3.22Å; L212-L216 PolarHBondContact O-N 3.4Å; L216-R218 PolarHBondContact O-N 3.06Å; L216-P221 HydrophobicContact CD2-CB 3.89Å; L216-L223 HydrophobicContact CD2-CB 4.41Å; L216-L223 HydrophobicContact CD2-CD1 4Å; L216-L223 HydrophobicContact CG-CD1 3.95Å; L216-L228 HydrophobicContact CD1-CD1 4.4Å; L216-V259 HydrophobicContact CB-CG1 4.04Å; L216-V259 HydrophobicContact CD1-CG1 3.9Å; L216-V259 HydrophobicContact CG-CG1 4.45Å; L216-F262 HydrophobicContact CD1-CD2 4.17Å; L216-H265 HydrophobicContact CD2-CB 4.38Å |
| 217 | A | 89.9 | Confident | 91.5 | Very high | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.017 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -77.8 | 57.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q213 P260 S373 S376 | Q213-A217 WeakPolarHBondContact O-CB 3.38Å; Q213-A217 PolarHBondContact O-N 3.21Å; A217-P260 HydrophobicContact CB-CG 3.96Å; A217-S373 CarbonylContact C-O 3.4Å; A217-S373 CarbonylContact O-C 3.15Å; A217-S376 PolarHBondContact O-OG 3.5Å |
| 218 | R | 88.6 | Confident | 91.4 | Very high | 77 Ų | 77 | 39.3 Ų | 39.3 | 29% | 0.291 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -143.1 | 160.9 | -177.3 | -64.5 | -169.6 | -173.7 | -141.8 | 2.5 | 110.5 | D150 S152 K214 L216 T220 S376 | D150-R218 VanDerWaalsContact CG-NH2 3.32Å; D150-R218 IonicContact OD1-CZ 3.3Å; D150-R218 IonicContact OD1-NH2 3.81Å; D150-R218 PolarHBondContact OD1-NH2 3.24Å; D150-R218 IonicContact OD2-NH2 3.77Å; D150-R218 PolarHBondContact OD2-NH2 3.16Å; S152-R218 PolarHBondContact OG-NH1 3.04Å; S152-R218 PolarHBondContact OG-NH2 2.91Å; K214-R218 PolarHBondContact O-NE 3.33Å; K214-R218 PolarHBondContact O-NH2 2.93Å; L216-R218 PolarHBondContact O-N 3.06Å; R218-T220 VanDerWaalsContact C-N 3.27Å; R218-T220 VanDerWaalsContact CB-O 3.31Å; R218-T220 WeakPolarHBondContact CB-O 3.42Å; R218-T220 PolarHBondContact O-N 2.63Å; R218-S376 WeakPolarHBondContact CA-OG 3.49Å |
| 219 | H | 85.1 | Confident | 91.2 | Very high | 135 Ų | 135 | 41 Ų | 41 | 63% | 0.625 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -60.1 | -37.9 | 169.7 | -75.3 | -59.4 | 0 | 0 | 0 | 112.5 | S376 F380 | H219-S376 WeakPolarHBondContact CA-O 3.39Å; H219-S376 VanDerWaalsContact CE1-CA 3.49Å; H219-S376 WeakPolarHBondContact CE1-CA 3.23Å; H219-S376 PolarHBondContact CE1-O 2.89Å; H219-S376 PolarHBondContact N-OG 3.47Å; H219-S376 PolarHBondContact ND1-O 2.66Å; H219-F380 WeakPolarHBondContact O-CE2 3.43Å; H219-F380 VanDerWaalsContact O-CZ 3.27Å; H219-F380 WeakPolarHBondContact O-CZ 3.16Å |
| 220 | T | 85.5 | Confident | 91.1 | Very high | 110 Ų | 110 | 39.4 Ų | 39.4 | 68% | 0.675 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -119.9 | 125.6 | 173.8 | 47.8 | 0 | 0 | 0 | 0 | 109.5 | R218 A222 | R218-T220 VanDerWaalsContact C-N 3.27Å; R218-T220 VanDerWaalsContact CB-O 3.31Å; R218-T220 WeakPolarHBondContact CB-O 3.42Å; R218-T220 PolarHBondContact O-N 2.63Å; T220-A222 PolarHBondContact O-N 3.28Å |
| 221 | P | 88.2 | Confident | 91.1 | Very high | 44 Ų | 44 | 38 Ų | 38 | 29% | 0.286 | 20% | 0.201 | S | C | . | . | trans | -58.6 | 128 | 175.1 | -26.1 | 35 | 0 | 0 | 0 | 111.6 | L216 H265 | L216-P221 HydrophobicContact CD2-CB 3.89Å; P221-H265 WeakPolarHBondContact CG-CE1 3.44Å | ||
| 222 | A | 90.5 | Very high | 91.1 | Very high | 25 Ų | 25 | 38 Ų | 38 | 21% | 0.207 | 20% | 0.201 | C | C | . | . | trans | -87.1 | -18.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P151 G215 T220 T224 | P151-A222 HydrophobicContact CB-CB 4.22Å; G215-A222 PolarHBondContact O-N 3.4Å; T220-A222 PolarHBondContact O-N 3.28Å; A222-T224 PolarHBondContact O-N 3.05Å | ||
| 223 | L | 91.8 | Very high | 91 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | trans | -72.4 | 129.5 | 177.3 | -72.3 | 169.3 | 0 | 0 | 0 | 110.6 | P151 L160 V211 L212 L216 L228 I231 M269 | P151-L223 HydrophobicContact CB-CD2 3.78Å; P151-L223 HydrophobicContact CB-CG 4.29Å; P151-L223 HydrophobicContact CG-CD2 3.69Å; P151-L223 HydrophobicContact CG-CG 4.3Å; L160-L223 HydrophobicContact CD2-CD2 3.78Å; V211-L223 HydrophobicContact CG1-CD2 4.29Å; L212-L223 HydrophobicContact CD2-CD1 3.87Å; L216-L223 HydrophobicContact CD2-CB 4.41Å; L216-L223 HydrophobicContact CD2-CD1 4Å; L216-L223 HydrophobicContact CG-CD1 3.95Å; L223-L228 HydrophobicContact CB-CB 4.47Å; L223-L228 HydrophobicContact CD1-CD1 4.2Å; L223-I231 HydrophobicContact CD1-CD1 4.13Å; L223-I231 HydrophobicContact CD2-CD1 3.98Å; L223-M269 WeakPolarHBondContact O-CE 3.46Å | ||
| 224 | T | 90 | Very high | 91 | Very high | 56 Ų | 56 | 38.3 Ų | 38.3 | 34% | 0.344 | 21% | 0.205 | S | C | . | . | trans | -73.5 | 162.2 | 170.9 | 69.1 | 0 | 0 | 0 | 0 | 111.3 | A222 V226 S227 L228 | A222-T224 PolarHBondContact O-N 3.05Å; T224-V226 PolarHBondContact O-N 3.27Å; T224-S227 WeakPolarHBondContact CA-OG 3.45Å; T224-S227 PolarHBondContact N-OG 2.86Å; T224-S227 PolarHBondContact O-N 3.07Å; T224-S227 PolarHBondContact O-OG 3.22Å; T224-S227 PolarHBondContact OG1-N 3.31Å; T224-S227 PolarHBondContact OG1-OG 2.86Å; T224-L228 WeakPolarHBondContact O-CB 3.34Å; T224-L228 PolarHBondContact O-N 3.02Å | ||
| 225 | K | 90.4 | Very high | 91.2 | Very high | 107 Ų | 107 | 34.9 Ų | 34.9 | 47% | 0.465 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -52.9 | -42.3 | 174.5 | 175.2 | 169.8 | 177.4 | 153.7 | 0 | 112.4 | T229 M269 | K225-T229 VanDerWaalsContact O-CB 3.29Å; K225-T229 WeakPolarHBondContact O-CB 3.48Å; K225-T229 PolarHBondContact O-N 3.2Å; K225-T229 PolarHBondContact O-OG1 3.34Å; K225-M269 HydrophobicContact CB-CE 4.15Å; K225-M269 WeakPolarHBondContact CD-O 3.44Å; K225-M269 WeakPolarHBondContact CE-O 3.28Å; K225-M269 VanDerWaalsContact CG-O 3.27Å; K225-M269 WeakPolarHBondContact CG-O 3.33Å; K225-M269 VanDerWaalsContact N-CE 3.34Å; K225-M269 PolarHBondContact NZ-O 2.64Å; K225-M269 VanDerWaalsContact NZ-O 3.09Å |
| 226 | V | 90.5 | Very high | 91.3 | Very high | 101 Ų | 101 | 35 Ų | 35 | 61% | 0.612 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -65.4 | -50.1 | 179.9 | 179.9 | 0 | 0 | 0 | 0 | 111 | T224 L228 T229 G230 | T224-V226 PolarHBondContact O-N 3.27Å; V226-L228 PolarHBondContact O-N 2.84Å; V226-T229 PolarHBondContact O-N 3Å; V226-G230 PolarHBondContact O-N 3.23Å |
| 227 | S | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 179.6 | 46.8 | 0 | 0 | 0 | 0 | 112.6 | N161 L164 T224 G230 I231 | N161-S227 WeakPolarHBondContact OD1-CA 3.43Å; N161-S227 WeakPolarHBondContact OD1-CB 3.43Å; N161-S227 PolarHBondContact OD1-N 3.2Å; L164-S227 WeakPolarHBondContact CD1-O 3.36Å; T224-S227 WeakPolarHBondContact CA-OG 3.45Å; T224-S227 PolarHBondContact N-OG 2.86Å; T224-S227 PolarHBondContact O-N 3.07Å; T224-S227 PolarHBondContact O-OG 3.22Å; T224-S227 PolarHBondContact OG1-N 3.31Å; T224-S227 PolarHBondContact OG1-OG 2.86Å; S227-G230 PolarHBondContact O-N 3.03Å; S227-I231 VanDerWaalsContact O-CG1 3.28Å; S227-I231 WeakPolarHBondContact O-CG1 3.45Å; S227-I231 PolarHBondContact O-N 3.35Å |
| 228 | L | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.4 | -41.5 | -179.3 | -174.2 | 61.6 | 0 | 0 | 0 | 111.5 | L212 L216 L223 T224 V226 I231 F232 F262 H265 I266 M269 | L212-L228 HydrophobicContact CD2-CD1 4.12Å; L216-L228 HydrophobicContact CD1-CD1 4.4Å; L223-L228 HydrophobicContact CB-CB 4.47Å; L223-L228 HydrophobicContact CD1-CD1 4.2Å; T224-L228 WeakPolarHBondContact O-CB 3.34Å; T224-L228 PolarHBondContact O-N 3.02Å; V226-L228 PolarHBondContact O-N 2.84Å; L228-I231 PolarHBondContact O-N 3.05Å; L228-F232 WeakPolarHBondContact O-CB 3.43Å; L228-F232 PolarHBondContact O-N 2.85Å; L228-F262 HydrophobicContact CD1-CE2 4.44Å; L228-H265 HydrophobicContact CD2-CB 3.8Å; L228-I266 HydrophobicContact CD1-CG1 4.09Å; L228-I266 HydrophobicContact CD2-CG1 3.95Å; L228-I266 HydrophobicContact CG-CG1 3.88Å; L228-M269 HydrophobicContact CD2-CB 4.32Å; L228-M269 HydrophobicContact CD2-CG 4.44Å; L228-M269 HydrophobicContact CD2-SD 3.67Å |
| 229 | T | 91.9 | Very high | 91.7 | Very high | 34 Ų | 34 | 32.8 Ų | 32.8 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.4 | -48.7 | 173 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | K225 V226 I231 F232 T233 M270 | K225-T229 VanDerWaalsContact O-CB 3.29Å; K225-T229 WeakPolarHBondContact O-CB 3.48Å; K225-T229 PolarHBondContact O-N 3.2Å; K225-T229 PolarHBondContact O-OG1 3.34Å; V226-T229 PolarHBondContact O-N 3Å; T229-I231 PolarHBondContact O-N 2.97Å; T229-F232 PolarHBondContact O-N 3.08Å; T229-T233 WeakPolarHBondContact O-CB 3.47Å; T229-T233 PolarHBondContact O-N 2.59Å; T229-T233 PolarHBondContact O-OG1 2.8Å; T229-M270 HydrophobicContact CG2-CG 4.16Å; T229-M270 HydrophobicContact CG2-SD 3.72Å |
| 230 | G | 92.2 | Very high | 92 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V226 S227 I234 | V226-G230 PolarHBondContact O-N 3.23Å; S227-G230 PolarHBondContact O-N 3.03Å; G230-I234 WeakPolarHBondContact O-CG1 3.44Å; G230-I234 PolarHBondContact O-N 2.97Å |
| 231 | I | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.3 | -49 | 175.7 | -71.9 | 165.1 | 0 | 0 | 0 | 110.9 | L164 L208 V211 L212 L223 S227 L228 T229 T233 I234 A235 | L164-I231 HydrophobicContact CD1-CD1 4.47Å; L164-I231 HydrophobicContact CD1-CG1 3.94Å; L164-I231 HydrophobicContact CD2-CG1 3.83Å; L208-I231 HydrophobicContact CD2-CG1 4.32Å; L208-I231 HydrophobicContact CD2-CG2 4.09Å; V211-I231 HydrophobicContact CG1-CD1 3.98Å; L212-I231 HydrophobicContact CD1-CG2 3.96Å; L212-I231 HydrophobicContact CD2-CD1 4.25Å; L212-I231 HydrophobicContact CD2-CG2 3.79Å; L212-I231 HydrophobicContact CG-CG2 3.93Å; L223-I231 HydrophobicContact CD1-CD1 4.13Å; L223-I231 HydrophobicContact CD2-CD1 3.98Å; S227-I231 VanDerWaalsContact O-CG1 3.28Å; S227-I231 WeakPolarHBondContact O-CG1 3.45Å; S227-I231 PolarHBondContact O-N 3.35Å; L228-I231 PolarHBondContact O-N 3.05Å; T229-I231 PolarHBondContact O-N 2.97Å; I231-T233 PolarHBondContact O-N 2.97Å; I231-I234 PolarHBondContact O-N 3.1Å; I231-A235 WeakPolarHBondContact O-CB 3.27Å; I231-A235 PolarHBondContact O-N 2.87Å |
| 232 | F | 94.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 179.5 | 176 | -100.8 | 0 | 0 | 0 | 111.8 | L228 T229 I234 A235 M236 F262 I266 M270 I276 I277 | L228-F232 WeakPolarHBondContact O-CB 3.43Å; L228-F232 PolarHBondContact O-N 2.85Å; T229-F232 PolarHBondContact O-N 3.08Å; F232-I234 PolarHBondContact O-N 3.2Å; F232-A235 PolarHBondContact O-N 3.31Å; F232-M236 HydrophobicContact CD1-CG 4.21Å; F232-M236 HydrophobicContact CD2-CG 4.02Å; F232-M236 HydrophobicContact CE1-CG 3.82Å; F232-M236 HydrophobicContact CE2-CG 3.61Å; F232-M236 HydrophobicContact CE2-SD 4.1Å; F232-M236 HydrophobicContact CG-CG 4.35Å; F232-M236 HydrophobicContact CZ-CG 3.52Å; F232-M236 HydrophobicContact CZ-SD 4.15Å; F232-M236 WeakPolarHBondContact O-CB 3.33Å; F232-M236 WeakPolarHBondContact O-CG 3.29Å; F232-M236 PolarHBondContact O-N 3.29Å; F232-F262 HydrophobicContact CD2-CE1 4.3Å; F232-F262 HydrophobicContact CD2-CZ 4.03Å; F232-I266 HydrophobicContact CB-CD1 3.92Å; F232-I266 HydrophobicContact CD2-CD1 3.48Å; F232-I266 VanDerWaalsContact CD2-CD1 3.48Å; F232-I266 HydrophobicContact CE2-CD1 4.25Å; F232-I266 HydrophobicContact CG-CD1 3.92Å; F232-M270 HydrophobicContact CB-SD 4.38Å; F232-M270 HydrophobicContact CD1-CE 3.16Å; F232-M270 HydrophobicContact CD1-SD 3.84Å; F232-M270 HydrophobicContact CE1-CE 3.37Å; F232-M270 HydrophobicContact CG-CE 4.19Å; F232-M270 HydrophobicContact CG-SD 4.39Å; F232-I276 HydrophobicContact CE1-CB 4.25Å; F232-I276 HydrophobicContact CE1-CD1 4.12Å; F232-I276 HydrophobicContact CE1-CG2 3.99Å; F232-I276 HydrophobicContact CZ-CG2 4.25Å; F232-I277 HydrophobicContact CZ-CD1 4.44Å; F232-I277 HydrophobicContact CZ-CG1 4.03Å |
| 233 | T | 92.5 | Very high | 92.2 | Very high | 33 Ų | 33 | 35.9 Ų | 35.9 | 20% | 0.202 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 177.9 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | L168 T229 I231 M236 R237 | L168-T233 HydrophobicContact CD2-CG2 3.64Å; T229-T233 WeakPolarHBondContact O-CB 3.47Å; T229-T233 PolarHBondContact O-N 2.59Å; T229-T233 PolarHBondContact O-OG1 2.8Å; I231-T233 PolarHBondContact O-N 2.97Å; T233-M236 PolarHBondContact O-N 2.8Å; T233-R237 HydrophobicContact CG2-CG 4.47Å; T233-R237 VanDerWaalsContact O-CG 3.25Å; T233-R237 WeakPolarHBondContact O-CG 3.45Å; T233-R237 PolarHBondContact O-N 3.4Å |
| 234 | I | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.8 | -35 | 177.2 | -69.3 | -62.1 | 0 | 0 | 0 | 112.1 | L167 L168 T171 L204 L208 G230 I231 F232 P238 | L167-I234 HydrophobicContact CB-CD1 3.78Å; L167-I234 HydrophobicContact CB-CG1 4.07Å; L167-I234 HydrophobicContact CD1-CG2 4.49Å; L168-I234 HydrophobicContact CD2-CD1 3.73Å; L168-I234 HydrophobicContact CD2-CG1 3.74Å; L168-I234 HydrophobicContact CG-CD1 4.12Å; L168-I234 HydrophobicContact CG-CG1 4.1Å; T171-I234 WeakPolarHBondContact OG1-CD1 3.32Å; L204-I234 HydrophobicContact CD1-CG2 3.96Å; L204-I234 HydrophobicContact CD2-CG2 4Å; L204-I234 HydrophobicContact CG-CG2 4.49Å; L208-I234 HydrophobicContact CD1-CG2 4.39Å; G230-I234 WeakPolarHBondContact O-CG1 3.44Å; G230-I234 PolarHBondContact O-N 2.97Å; I231-I234 PolarHBondContact O-N 3.1Å; F232-I234 PolarHBondContact O-N 3.2Å; I234-P238 WeakPolarHBondContact O-CD 3.5Å |
| 235 | A | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.4 | -37.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F205 L208 I231 F232 F252 I256 | F205-A235 HydrophobicContact CE1-CB 4.5Å; L208-A235 HydrophobicContact CD1-CB 3.93Å; I231-A235 WeakPolarHBondContact O-CB 3.27Å; I231-A235 PolarHBondContact O-N 2.87Å; F232-A235 PolarHBondContact O-N 3.31Å; A235-F252 HydrophobicContact CB-CD2 4.32Å; A235-F252 HydrophobicContact CB-CE2 3.92Å; A235-I256 HydrophobicContact CB-CD1 4.45Å; A235-I256 HydrophobicContact CB-CG1 4.46Å |
| 236 | M | 94.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -78.2 | -33.5 | -178.4 | -76.9 | -62.9 | -65.4 | 0 | 0 | 113.6 | F232 T233 L239 I240 F244 F252 I276 L282 | F232-M236 HydrophobicContact CD1-CG 4.21Å; F232-M236 HydrophobicContact CD2-CG 4.02Å; F232-M236 HydrophobicContact CE1-CG 3.82Å; F232-M236 HydrophobicContact CE2-CG 3.61Å; F232-M236 HydrophobicContact CE2-SD 4.1Å; F232-M236 HydrophobicContact CG-CG 4.35Å; F232-M236 HydrophobicContact CZ-CG 3.52Å; F232-M236 HydrophobicContact CZ-SD 4.15Å; F232-M236 WeakPolarHBondContact O-CB 3.33Å; F232-M236 WeakPolarHBondContact O-CG 3.29Å; F232-M236 PolarHBondContact O-N 3.29Å; T233-M236 PolarHBondContact O-N 2.8Å; M236-L239 WeakPolarHBondContact O-CB 3.36Å; M236-L239 PolarHBondContact O-N 2.76Å; M236-L239 HydrophobicContact SD-CD1 4.11Å; M236-I240 HydrophobicContact CB-CD1 4.12Å; M236-I240 HydrophobicContact CE-CD1 4.23Å; M236-I240 HydrophobicContact CE-CG1 4.27Å; M236-I240 WeakPolarHBondContact O-CG1 3.49Å; M236-I240 PolarHBondContact O-N 2.97Å; M236-F244 HydrophobicContact CE-CZ 4.19Å; M236-F252 HydrophobicContact SD-CE2 4.21Å; M236-F252 HydrophobicContact SD-CZ 4.16Å; M236-I276 HydrophobicContact CE-CG2 4.19Å; M236-L282 HydrophobicContact CE-CD1 4.06Å; M236-L282 HydrophobicContact CE-CD2 4.2Å; M236-L282 HydrophobicContact SD-CD1 4.02Å; M236-L282 HydrophobicContact SD-CD2 3.89Å |
| 237 | R | 93.3 | Very high | 92.5 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 11% | 0.106 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -52.2 | -51.8 | -176.5 | -83.3 | 173.3 | -173.3 | -174.3 | 4.3 | 113.5 | L168 T171 L196 T233 L239 I240 Y241 | L168-R237 PolarHBondContact O-NH1 3Å; T171-R237 PolarHBondContact OG1-NH1 3.29Å; L196-R237 HydrophobicContact CD1-CB 3.96Å; L196-R237 HydrophobicContact CD2-CB 4.05Å; T233-R237 HydrophobicContact CG2-CG 4.47Å; T233-R237 VanDerWaalsContact O-CG 3.25Å; T233-R237 WeakPolarHBondContact O-CG 3.45Å; T233-R237 PolarHBondContact O-N 3.4Å; R237-L239 PolarHBondContact O-N 3.21Å; R237-I240 PolarHBondContact O-N 3.44Å; R237-I240 VanDerWaalsContact O-N 3.17Å; R237-Y241 HydrophobicContact CB-CD2 4.17Å; R237-Y241 HydrophobicContact CB-CE2 4.25Å; R237-Y241 HydrophobicContact CG-CE2 4.15Å; R237-Y241 VanDerWaalsContact O-CD2 3.23Å; R237-Y241 WeakPolarHBondContact O-CD2 3.39Å; R237-Y241 PolarHBondContact O-N 3.24Å |
| 238 | P | 93 | Very high | 92.5 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.9 | -38.5 | 177.2 | -25.1 | 33.1 | 0 | 0 | 0 | 113.4 | L196 V200 L204 I234 E242 L248 | L196-P238 HydrophobicContact CB-CG 4.48Å; L196-P238 HydrophobicContact CD2-CG 4.19Å; V200-P238 HydrophobicContact CG2-CB 3.82Å; V200-P238 HydrophobicContact CG2-CG 3.9Å; L204-P238 HydrophobicContact CD2-CG 4.2Å; I234-P238 WeakPolarHBondContact O-CD 3.5Å; P238-E242 WeakPolarHBondContact O-CB 3.44Å; P238-E242 PolarHBondContact O-N 2.89Å; P238-L248 HydrophobicContact CB-CD1 4.16Å |
| 239 | L | 93.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67 | -46.1 | 177.8 | -60.5 | 175.3 | 0 | 0 | 0 | 111.7 | M236 R237 K243 F244 L248 V249 F252 | M236-L239 WeakPolarHBondContact O-CB 3.36Å; M236-L239 PolarHBondContact O-N 2.76Å; M236-L239 HydrophobicContact SD-CD1 4.11Å; R237-L239 PolarHBondContact O-N 3.21Å; L239-K243 WeakPolarHBondContact O-CA 3.41Å; L239-K243 PolarHBondContact O-N 2.92Å; L239-F244 HydrophobicContact CB-CD1 3.93Å; L239-F244 HydrophobicContact CB-CE1 3.8Å; L239-F244 HydrophobicContact CB-CG 4.44Å; L239-F244 HydrophobicContact CB-CZ 4.21Å; L239-F244 HydrophobicContact CD1-CD1 4.45Å; L239-F244 HydrophobicContact CD1-CE1 4.13Å; L239-F244 HydrophobicContact CD2-CD1 4.48Å; L239-F244 HydrophobicContact CG-CE1 4.49Å; L239-F244 PolarHBondContact O-N 3.5Å; L239-L248 HydrophobicContact CD2-CB 3.58Å; L239-V249 HydrophobicContact CD2-CG2 4.11Å; L239-F252 HydrophobicContact CD1-CB 4.04Å; L239-F252 HydrophobicContact CD1-CD1 4.24Å; L239-F252 HydrophobicContact CD1-CD2 3.66Å; L239-F252 HydrophobicContact CD1-CE2 4.12Å; L239-F252 HydrophobicContact CD1-CG 3.73Å; L239-F252 HydrophobicContact CD2-CB 4.48Å |
| 240 | I | 91.7 | Very high | 92.6 | Very high | 58 Ų | 58 | 38.1 Ų | 38.1 | 30% | 0.297 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.5 | -48.1 | -177.7 | -62.9 | 169.4 | 0 | 0 | 0 | 110.8 | M236 R237 E242 K243 E280 | M236-I240 HydrophobicContact CB-CD1 4.12Å; M236-I240 HydrophobicContact CE-CD1 4.23Å; M236-I240 HydrophobicContact CE-CG1 4.27Å; M236-I240 WeakPolarHBondContact O-CG1 3.49Å; M236-I240 PolarHBondContact O-N 2.97Å; R237-I240 PolarHBondContact O-N 3.44Å; R237-I240 VanDerWaalsContact O-N 3.17Å; I240-E242 PolarHBondContact O-N 3.12Å; I240-K243 PolarHBondContact O-N 3.26Å; I240-E280 HydrophobicContact CD1-CG 4.07Å; I240-E280 HydrophobicContact CG1-CG 4.06Å |
| 241 | Y | 89.3 | Confident | 92.7 | Very high | 78 Ų | 78 | 39 Ų | 39 | 31% | 0.306 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.9 | -38.1 | -177.5 | -81.5 | -78.5 | 0 | 0 | 0 | 112.8 | L196 R237 K243 | L196-Y241 HydrophobicContact CD1-CD2 3.39Å; L196-Y241 HydrophobicContact CD1-CE2 3.81Å; L196-Y241 HydrophobicContact CD1-CG 4.11Å; R237-Y241 HydrophobicContact CB-CD2 4.17Å; R237-Y241 HydrophobicContact CB-CE2 4.25Å; R237-Y241 HydrophobicContact CG-CE2 4.15Å; R237-Y241 VanDerWaalsContact O-CD2 3.23Å; R237-Y241 WeakPolarHBondContact O-CD2 3.39Å; R237-Y241 PolarHBondContact O-N 3.24Å; Y241-K243 VanDerWaalsContact C-N 3.33Å |
| 242 | E | 87.7 | Confident | 92.7 | Very high | 65 Ų | 65 | 39.1 Ų | 39.1 | 30% | 0.304 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 3.8 | 178.3 | -59.7 | -162.4 | 164.1 | 0 | 0 | 113.6 | Q197 P238 I240 P245 L248 | Q197-E242 WeakPolarHBondContact CG-OE1 3.43Å; Q197-E242 PolarHBondContact NE2-OE1 3.25Å; P238-E242 WeakPolarHBondContact O-CB 3.44Å; P238-E242 PolarHBondContact O-N 2.89Å; I240-E242 PolarHBondContact O-N 3.12Å; E242-P245 HydrophobicContact CB-CG 3.93Å; E242-L248 HydrophobicContact CB-CD1 4.43Å; E242-L248 VanDerWaalsContact OE2-CD1 3.24Å; E242-L248 WeakPolarHBondContact OE2-CD1 3.33Å |
| 243 | K | 90.1 | Very high | 92.8 | Very high | 178 Ų | 178 | 39 Ų | 39 | 77% | 0.774 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 47.5 | 179.6 | -54.9 | -178.2 | 178.2 | -178.5 | 0 | 113.6 | L239 I240 Y241 | L239-K243 WeakPolarHBondContact O-CA 3.41Å; L239-K243 PolarHBondContact O-N 2.92Å; I240-K243 PolarHBondContact O-N 3.26Å; Y241-K243 VanDerWaalsContact C-N 3.33Å |
| 244 | F | 92.2 | Very high | 92.8 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 10% | 0.101 | 19% | 0.191 | C | C | . | . | trans | 57.7 | 61.2 | 172.9 | -65.2 | -94.9 | 0 | 0 | 0 | 114.8 | M236 L239 V249 E280 L282 R285 | M236-F244 HydrophobicContact CE-CZ 4.19Å; L239-F244 HydrophobicContact CB-CD1 3.93Å; L239-F244 HydrophobicContact CB-CE1 3.8Å; L239-F244 HydrophobicContact CB-CG 4.44Å; L239-F244 HydrophobicContact CB-CZ 4.21Å; L239-F244 HydrophobicContact CD1-CD1 4.45Å; L239-F244 HydrophobicContact CD1-CE1 4.13Å; L239-F244 HydrophobicContact CD2-CD1 4.48Å; L239-F244 HydrophobicContact CG-CE1 4.49Å; L239-F244 PolarHBondContact O-N 3.5Å; F244-V249 HydrophobicContact CB-CG2 4.03Å; F244-V249 HydrophobicContact CD1-CG2 4.01Å; F244-E280 HydrophobicContact CE2-CB 4.25Å; F244-E280 HydrophobicContact CZ-CB 4.02Å; F244-L282 HydrophobicContact CE1-CD1 3.75Å; F244-L282 HydrophobicContact CZ-CD1 4.44Å; F244-R285 HydrophobicContact CB-CB 4.46Å; F244-R285 HydrophobicContact CB-CG 4.37Å; F244-R285 HydrophobicContact CD1-CB 3.84Å; F244-R285 HydrophobicContact CD1-CG 4.02Å; F244-R285 HydrophobicContact CD2-CG 4.21Å; F244-R285 HydrophobicContact CE1-CB 4.29Å; F244-R285 HydrophobicContact CE1-CG 4.35Å; F244-R285 HydrophobicContact CG-CB 4.17Å; F244-R285 HydrophobicContact CG-CG 3.95Å | ||
| 245 | P | 93.1 | Very high | 92.9 | Very high | 44 Ų | 44 | 41.8 Ų | 41.8 | 29% | 0.286 | 19% | 0.194 | S | C | . | . | trans | -67.3 | 143.4 | 171.7 | 30.9 | -35.2 | 0 | 0 | 0 | 110.7 | E242 E247 L248 V249 | E242-P245 HydrophobicContact CB-CG 3.93Å; P245-E247 VanDerWaalsContact C-N 3.34Å; P245-E247 PolarHBondContact O-N 3.29Å; P245-L248 HydrophobicContact CG-CB 3.87Å; P245-L248 HydrophobicContact CG-CD1 3.56Å; P245-L248 HydrophobicContact CG-CG 3.57Å; P245-L248 PolarHBondContact O-N 3.48Å; P245-L248 VanDerWaalsContact O-N 3.07Å; P245-V249 WeakPolarHBondContact O-CG2 3.42Å; P245-V249 PolarHBondContact O-N 2.87Å | ||
| 246 | Q | 91.8 | Very high | 92.9 | Very high | 87 Ų | 87 | 41.8 Ų | 41.8 | 41% | 0.407 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -50.6 | -47.5 | -175.1 | 171.6 | 177.9 | -18.6 | 0 | 0 | 113.3 | L248 V249 I250 T289 S293 E296 | Q246-L248 VanDerWaalsContact C-N 3.33Å; Q246-L248 PolarHBondContact O-N 3.34Å; Q246-V249 PolarHBondContact O-N 3.26Å; Q246-I250 HydrophobicContact CG-CD1 3.85Å; Q246-I250 WeakPolarHBondContact O-CG1 3.49Å; Q246-I250 PolarHBondContact O-N 3.4Å; Q246-T289 HydrophobicContact CB-CG2 4.15Å; Q246-T289 HydrophobicContact CG-CG2 3.84Å; Q246-S293 PolarHBondContact NE2-OG 3.43Å; Q246-S293 PolarHBondContact OE1-OG 3Å; Q246-E296 VanDerWaalsContact NE2-CD 3.33Å; Q246-E296 PolarHBondContact NE2-OE2 2.87Å |
| 247 | E | 91.6 | Very high | 93 | Very high | 155 Ų | 155 | 41.7 Ų | 41.7 | 72% | 0.724 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -60.4 | -40.2 | -179.4 | -64.1 | -173.7 | 171.7 | 0 | 0 | 112.7 | P245 S251 | P245-E247 VanDerWaalsContact C-N 3.34Å; P245-E247 PolarHBondContact O-N 3.29Å; E247-S251 WeakPolarHBondContact O-CB 3.41Å; E247-S251 PolarHBondContact O-N 2.91Å |
| 248 | L | 93.7 | Very high | 93 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -74 | -37.2 | 179 | -61.4 | -170.6 | 0 | 0 | 0 | 111.8 | V200 F205 P238 L239 E242 P245 Q246 I250 S251 F252 | V200-L248 HydrophobicContact CG1-CD2 3.46Å; V200-L248 VanDerWaalsContact CG1-CD2 3.46Å; V200-L248 HydrophobicContact CG2-CD2 4.43Å; F205-L248 HydrophobicContact CE2-CD2 4.29Å; P238-L248 HydrophobicContact CB-CD1 4.16Å; L239-L248 HydrophobicContact CD2-CB 3.58Å; E242-L248 HydrophobicContact CB-CD1 4.43Å; E242-L248 VanDerWaalsContact OE2-CD1 3.24Å; E242-L248 WeakPolarHBondContact OE2-CD1 3.33Å; P245-L248 HydrophobicContact CG-CB 3.87Å; P245-L248 HydrophobicContact CG-CD1 3.56Å; P245-L248 HydrophobicContact CG-CG 3.57Å; P245-L248 PolarHBondContact O-N 3.48Å; P245-L248 VanDerWaalsContact O-N 3.07Å; Q246-L248 VanDerWaalsContact C-N 3.33Å; Q246-L248 PolarHBondContact O-N 3.34Å; L248-I250 VanDerWaalsContact C-N 3.31Å; L248-I250 PolarHBondContact O-N 2.99Å; L248-S251 PolarHBondContact O-N 3.48Å; L248-F252 VanDerWaalsContact O-CB 3.26Å; L248-F252 WeakPolarHBondContact O-CB 3.38Å; L248-F252 PolarHBondContact O-N 3.45Å |
| 249 | V | 94.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 175.5 | 174 | 0 | 0 | 0 | 0 | 110.5 | L239 F244 P245 Q246 F252 T253 I286 T289 | L239-V249 HydrophobicContact CD2-CG2 4.11Å; F244-V249 HydrophobicContact CB-CG2 4.03Å; F244-V249 HydrophobicContact CD1-CG2 4.01Å; P245-V249 WeakPolarHBondContact O-CG2 3.42Å; P245-V249 PolarHBondContact O-N 2.87Å; Q246-V249 PolarHBondContact O-N 3.26Å; V249-F252 PolarHBondContact O-N 3.16Å; V249-T253 WeakPolarHBondContact O-CB 3.28Å; V249-T253 PolarHBondContact O-N 3.11Å; V249-T253 PolarHBondContact O-OG1 3.11Å; V249-I286 HydrophobicContact CG1-CB 4.47Å; V249-I286 HydrophobicContact CG1-CG1 4.1Å; V249-T289 HydrophobicContact CB-CG2 4.12Å; V249-T289 HydrophobicContact CG1-CG2 3.97Å |
| 250 | I | 93.5 | Very high | 93.1 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 13% | 0.128 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.1 | -40.8 | 176.6 | -69.2 | 167.5 | 0 | 0 | 0 | 111 | Q246 L248 T253 R254 T289 E296 | Q246-I250 HydrophobicContact CG-CD1 3.85Å; Q246-I250 WeakPolarHBondContact O-CG1 3.49Å; Q246-I250 PolarHBondContact O-N 3.4Å; L248-I250 VanDerWaalsContact C-N 3.31Å; L248-I250 PolarHBondContact O-N 2.99Å; I250-T253 PolarHBondContact O-N 3.16Å; I250-R254 WeakPolarHBondContact O-CB 3.3Å; I250-R254 PolarHBondContact O-N 3.26Å; I250-T289 HydrophobicContact CD1-CG2 4.46Å; I250-T289 HydrophobicContact CG1-CG2 4.26Å; I250-E296 HydrophobicContact CD1-CB 3.78Å; I250-E296 HydrophobicContact CD1-CG 4.45Å; I250-E296 WeakPolarHBondContact CD1-OE2 3.22Å |
| 251 | S | 93.4 | Very high | 93.1 | Very high | 23 Ų | 23 | 37.6 Ų | 37.6 | 16% | 0.161 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65 | -41.8 | 175.4 | -166.3 | 0 | 0 | 0 | 0 | 112.3 | F205 E247 L248 R254 N255 | F205-S251 WeakPolarHBondContact CD2-OG 3.43Å; E247-S251 WeakPolarHBondContact O-CB 3.41Å; E247-S251 PolarHBondContact O-N 2.91Å; L248-S251 PolarHBondContact O-N 3.48Å; S251-R254 PolarHBondContact O-N 3.15Å; S251-N255 WeakPolarHBondContact O-CB 3.26Å; S251-N255 PolarHBondContact O-N 2.61Å; S251-N255 PolarHBondContact O-ND2 3.41Å; S251-N255 PolarHBondContact OG-ND2 3.32Å |
| 252 | F | 95.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 172.8 | 179.1 | -91.1 | 0 | 0 | 0 | 110.7 | F205 A235 M236 L239 L248 V249 R254 N255 I256 L257 L282 I286 | F205-F252 HydrophobicContact CE1-CB 4.25Å; F205-F252 AromaticContact CE1-CD2 3.96Å; F205-F252 HydrophobicContact CE1-CD2 3.96Å; F205-F252 HydrophobicContact CZ-CB 4.48Å; A235-F252 HydrophobicContact CB-CD2 4.32Å; A235-F252 HydrophobicContact CB-CE2 3.92Å; M236-F252 HydrophobicContact SD-CE2 4.21Å; M236-F252 HydrophobicContact SD-CZ 4.16Å; L239-F252 HydrophobicContact CD1-CB 4.04Å; L239-F252 HydrophobicContact CD1-CD1 4.24Å; L239-F252 HydrophobicContact CD1-CD2 3.66Å; L239-F252 HydrophobicContact CD1-CE2 4.12Å; L239-F252 HydrophobicContact CD1-CG 3.73Å; L239-F252 HydrophobicContact CD2-CB 4.48Å; L248-F252 VanDerWaalsContact O-CB 3.26Å; L248-F252 WeakPolarHBondContact O-CB 3.38Å; L248-F252 PolarHBondContact O-N 3.45Å; V249-F252 PolarHBondContact O-N 3.16Å; F252-R254 PolarHBondContact O-N 2.67Å; F252-N255 PolarHBondContact O-N 3.16Å; F252-I256 HydrophobicContact CD2-CB 4.03Å; F252-I256 HydrophobicContact CD2-CG1 3.78Å; F252-I256 HydrophobicContact CD2-CG2 4.37Å; F252-I256 HydrophobicContact CE1-CB 4.48Å; F252-I256 HydrophobicContact CE1-CG2 4.47Å; F252-I256 HydrophobicContact CE2-CB 3.99Å; F252-I256 HydrophobicContact CE2-CG1 4.02Å; F252-I256 HydrophobicContact CE2-CG2 3.82Å; F252-I256 HydrophobicContact CG-CB 4.3Å; F252-I256 HydrophobicContact CG-CG1 4.31Å; F252-I256 HydrophobicContact CZ-CB 4.22Å; F252-I256 HydrophobicContact CZ-CG2 3.87Å; F252-I256 WeakPolarHBondContact O-CA 3.14Å; F252-I256 WeakPolarHBondContact O-CB 3.3Å; F252-I256 PolarHBondContact O-N 3.06Å; F252-L257 HydrophobicContact CD1-CD1 4.14Å; F252-L257 HydrophobicContact CD1-CG 4.06Å; F252-L257 HydrophobicContact CE1-CD1 4Å; F252-L257 HydrophobicContact CE1-CD2 3.9Å; F252-L257 HydrophobicContact CE1-CG 3.74Å; F252-L257 PolarHBondContact O-N 2.86Å; F252-L282 HydrophobicContact CE1-CD1 4.49Å; F252-I286 HydrophobicContact CE1-CD1 4.39Å |
| 253 | T | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -60.7 | -47.7 | 177.7 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | V249 I250 N255 L257 T258 L290 L300 L312 | V249-T253 WeakPolarHBondContact O-CB 3.28Å; V249-T253 PolarHBondContact O-N 3.11Å; V249-T253 PolarHBondContact O-OG1 3.11Å; I250-T253 PolarHBondContact O-N 3.16Å; T253-N255 PolarHBondContact O-N 3.36Å; T253-L257 HydrophobicContact CG2-CD1 4.24Å; T253-L257 PolarHBondContact O-N 2.89Å; T253-T258 PolarHBondContact O-N 3.47Å; T253-L290 HydrophobicContact CG2-CD1 4.18Å; T253-L290 HydrophobicContact CG2-CD2 4.33Å; T253-L300 HydrophobicContact CG2-CD2 3.84Å; T253-L312 HydrophobicContact CG2-CD1 3.51Å; T253-L312 HydrophobicContact CG2-CD2 4.23Å |
| 254 | R | 94.1 | Very high | 93.7 | Very high | 80 Ų | 80 | 23 Ų | 23 | 30% | 0.302 | 11% | 0.112 | S | C | . | . | I | π-helix | trans | -61.2 | -41.3 | -178.9 | -170.6 | -176.7 | 79.6 | -161.6 | 3.3 | 113.5 | E206 I250 S251 F252 T258 L300 | E206-R254 IonicContact OE1-CZ 2.97Å; E206-R254 IonicContact OE1-NH2 3.54Å; E206-R254 PolarHBondContact OE1-NH2 3.45Å; I250-R254 WeakPolarHBondContact O-CB 3.3Å; I250-R254 PolarHBondContact O-N 3.26Å; S251-R254 PolarHBondContact O-N 3.15Å; F252-R254 PolarHBondContact O-N 2.67Å; R254-T258 VanDerWaalsContact O-CG2 3.23Å; R254-T258 WeakPolarHBondContact O-CG2 3.34Å; R254-T258 PolarHBondContact O-OG1 3Å; R254-L300 HydrophobicContact CB-CD1 3.42Å; R254-L300 VanDerWaalsContact CB-CD1 3.42Å; R254-L300 HydrophobicContact CG-CD1 3.44Å; R254-L300 VanDerWaalsContact CG-CD1 3.44Å |
| 255 | N | 94.5 | Very high | 93.7 | Very high | 11 Ų | 11 | 22.2 Ų | 22.2 | 6% | 0.059 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -105.5 | -25.6 | -167.7 | -61.7 | -64.1 | 0 | 0 | 0 | 112.8 | F205 N209 S251 F252 T253 | F205-N255 HydrophobicContact CB-CB 3.79Å; N209-N255 HydrophobicContact CB-CB 4.11Å; N209-N255 VanDerWaalsContact CB-O 3.29Å; N209-N255 WeakPolarHBondContact CB-O 3.37Å; N209-N255 PolarHBondContact ND2-O 3.23Å; S251-N255 WeakPolarHBondContact O-CB 3.26Å; S251-N255 PolarHBondContact O-N 2.61Å; S251-N255 PolarHBondContact O-ND2 3.41Å; S251-N255 PolarHBondContact OG-ND2 3.32Å; F252-N255 PolarHBondContact O-N 3.16Å; T253-N255 PolarHBondContact O-N 3.36Å |
| 256 | I | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -107.1 | -50.8 | -174.9 | -52.9 | -59.7 | 0 | 0 | 0 | 110.9 | F205 L208 L212 A235 F252 T258 V259 F262 | F205-I256 HydrophobicContact CD1-CD1 4.31Å; F205-I256 HydrophobicContact CD1-CG1 4Å; L208-I256 HydrophobicContact CB-CD1 3.92Å; L208-I256 HydrophobicContact CD1-CD1 4.42Å; L212-I256 HydrophobicContact CD1-CD1 3.77Å; L212-I256 HydrophobicContact CD1-CG2 4.33Å; A235-I256 HydrophobicContact CB-CD1 4.45Å; A235-I256 HydrophobicContact CB-CG1 4.46Å; F252-I256 HydrophobicContact CD2-CB 4.03Å; F252-I256 HydrophobicContact CD2-CG1 3.78Å; F252-I256 HydrophobicContact CD2-CG2 4.37Å; F252-I256 HydrophobicContact CE1-CB 4.48Å; F252-I256 HydrophobicContact CE1-CG2 4.47Å; F252-I256 HydrophobicContact CE2-CB 3.99Å; F252-I256 HydrophobicContact CE2-CG1 4.02Å; F252-I256 HydrophobicContact CE2-CG2 3.82Å; F252-I256 HydrophobicContact CG-CB 4.3Å; F252-I256 HydrophobicContact CG-CG1 4.31Å; F252-I256 HydrophobicContact CZ-CB 4.22Å; F252-I256 HydrophobicContact CZ-CG2 3.87Å; F252-I256 WeakPolarHBondContact O-CA 3.14Å; F252-I256 WeakPolarHBondContact O-CB 3.3Å; F252-I256 PolarHBondContact O-N 3.06Å; I256-T258 VanDerWaalsContact C-N 3.25Å; I256-T258 PolarHBondContact O-N 2.77Å; I256-V259 WeakPolarHBondContact O-CB 3.45Å; I256-V259 WeakPolarHBondContact O-CG2 3.39Å; I256-V259 PolarHBondContact O-N 3.21Å; I256-F262 HydrophobicContact CG2-CD1 3.9Å; I256-F262 HydrophobicContact CG2-CD2 4.34Å; I256-F262 HydrophobicContact CG2-CE1 3.29Å; I256-F262 HydrophobicContact CG2-CE2 3.78Å; I256-F262 HydrophobicContact CG2-CG 4.38Å; I256-F262 HydrophobicContact CG2-CZ 3.18Å |
| 257 | L | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | I | π-helix | trans | -75.5 | -11.5 | -177.1 | -62.7 | 177.2 | 0 | 0 | 0 | 114.1 | F252 T253 V259 F262 I263 I286 L312 N315 L316 | F252-L257 HydrophobicContact CD1-CD1 4.14Å; F252-L257 HydrophobicContact CD1-CG 4.06Å; F252-L257 HydrophobicContact CE1-CD1 4Å; F252-L257 HydrophobicContact CE1-CD2 3.9Å; F252-L257 HydrophobicContact CE1-CG 3.74Å; F252-L257 PolarHBondContact O-N 2.86Å; T253-L257 HydrophobicContact CG2-CD1 4.24Å; T253-L257 PolarHBondContact O-N 2.89Å; L257-V259 VanDerWaalsContact C-N 3.3Å; L257-F262 HydrophobicContact CD2-CD1 4.34Å; L257-I263 HydrophobicContact CD2-CD1 3.99Å; L257-I263 HydrophobicContact CD2-CG1 4.28Å; L257-I286 HydrophobicContact CD1-CD1 3.6Å; L257-I286 HydrophobicContact CD1-CG1 4.35Å; L257-I286 HydrophobicContact CD1-CG2 4.17Å; L257-L312 HydrophobicContact CB-CD1 3.69Å; L257-L312 WeakPolarHBondContact O-CA 3.5Å; L257-N315 PolarHBondContact O-ND2 2.93Å; L257-L316 HydrophobicContact CD1-CD2 4.31Å |
| 258 | T | 93.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 12.4 Ų | 12.4 | 2% | 0.018 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -9.2 | 172.4 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | T253 R254 I256 L304 C311 L312 | T253-T258 PolarHBondContact O-N 3.47Å; R254-T258 VanDerWaalsContact O-CG2 3.23Å; R254-T258 WeakPolarHBondContact O-CG2 3.34Å; R254-T258 PolarHBondContact O-OG1 3Å; I256-T258 VanDerWaalsContact C-N 3.25Å; I256-T258 PolarHBondContact O-N 2.77Å; T258-L304 HydrophobicContact CG2-CD1 3.7Å; T258-L304 HydrophobicContact CG2-CD2 3.82Å; T258-L304 HydrophobicContact CG2-CG 4.44Å; T258-C311 WeakPolarHBondContact O-CB 3.35Å; T258-L312 HydrophobicContact CG2-CB 4.34Å |
| 259 | V | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -74.4 | 132 | 178.9 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | L212 L216 I256 L257 G261 F262 N315 | L212-V259 HydrophobicContact CB-CB 4.49Å; L212-V259 HydrophobicContact CB-CG1 3.97Å; L212-V259 HydrophobicContact CB-CG2 3.81Å; L212-V259 HydrophobicContact CD1-CG2 4.18Å; L216-V259 HydrophobicContact CB-CG1 4.04Å; L216-V259 HydrophobicContact CD1-CG1 3.9Å; L216-V259 HydrophobicContact CG-CG1 4.45Å; I256-V259 WeakPolarHBondContact O-CB 3.45Å; I256-V259 WeakPolarHBondContact O-CG2 3.39Å; I256-V259 PolarHBondContact O-N 3.21Å; L257-V259 VanDerWaalsContact C-N 3.3Å; V259-G261 PolarHBondContact O-N 2.92Å; V259-F262 HydrophobicContact CB-CB 4.21Å; V259-F262 HydrophobicContact CG1-CB 4.47Å; V259-F262 PolarHBondContact O-N 3.22Å; V259-N315 PolarHBondContact O-ND2 3.28Å |
| 260 | P | 92.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 132.2 | -178.3 | 25.5 | -35.9 | 0 | 0 | 0 | 111.7 | A217 F262 L374 A377 V381 | A217-P260 HydrophobicContact CB-CG 3.96Å; P260-F262 PolarHBondContact O-N 3.43Å; P260-F262 VanDerWaalsContact O-N 3.09Å; P260-L374 HydrophobicContact CB-CD1 3.75Å; P260-L374 HydrophobicContact CG-CD1 3.71Å; P260-A377 HydrophobicContact CB-CB 3.92Å; P260-A377 HydrophobicContact CG-CB 4.01Å; P260-V381 HydrophobicContact CB-CG2 3.84Å |
| 261 | G | 91.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 10.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V259 I263 L264 H265 | V259-G261 PolarHBondContact O-N 2.92Å; G261-I263 PolarHBondContact O-N 3.19Å; G261-L264 WeakPolarHBondContact O-CA 3.39Å; G261-L264 WeakPolarHBondContact O-CB 3.44Å; G261-L264 PolarHBondContact O-N 3.37Å; G261-H265 PolarHBondContact O-CD2 3.1Å; G261-H265 PolarHBondContact O-N 3.23Å |
| 262 | F | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54 | -51 | -173.2 | 178.4 | -106.4 | 0 | 0 | 0 | 113.5 | L212 L216 L228 F232 I256 L257 V259 P260 L264 H265 I266 N315 | L212-F262 HydrophobicContact CD1-CD2 4.19Å; L212-F262 HydrophobicContact CD1-CE2 3.87Å; L212-F262 HydrophobicContact CD2-CD2 4.02Å; L212-F262 HydrophobicContact CD2-CE2 3.89Å; L216-F262 HydrophobicContact CD1-CD2 4.17Å; L228-F262 HydrophobicContact CD1-CE2 4.44Å; F232-F262 HydrophobicContact CD2-CE1 4.3Å; F232-F262 HydrophobicContact CD2-CZ 4.03Å; I256-F262 HydrophobicContact CG2-CD1 3.9Å; I256-F262 HydrophobicContact CG2-CD2 4.34Å; I256-F262 HydrophobicContact CG2-CE1 3.29Å; I256-F262 HydrophobicContact CG2-CE2 3.78Å; I256-F262 HydrophobicContact CG2-CG 4.38Å; I256-F262 HydrophobicContact CG2-CZ 3.18Å; L257-F262 HydrophobicContact CD2-CD1 4.34Å; V259-F262 HydrophobicContact CB-CB 4.21Å; V259-F262 HydrophobicContact CG1-CB 4.47Å; V259-F262 PolarHBondContact O-N 3.22Å; P260-F262 PolarHBondContact O-N 3.43Å; P260-F262 VanDerWaalsContact O-N 3.09Å; F262-L264 VanDerWaalsContact C-N 3.3Å; F262-L264 PolarHBondContact O-N 2.85Å; F262-H265 PolarHBondContact O-N 3.17Å; F262-I266 HydrophobicContact CD1-CD1 3.82Å; F262-I266 HydrophobicContact CD2-CD1 3.82Å; F262-I266 HydrophobicContact CE1-CD1 3.29Å; F262-I266 HydrophobicContact CE2-CD1 3.31Å; F262-I266 HydrophobicContact CE2-CG1 4.35Å; F262-I266 HydrophobicContact CG-CD1 4.08Å; F262-I266 HydrophobicContact CZ-CD1 3.04Å; F262-I266 HydrophobicContact CZ-CG1 4.41Å; F262-I266 WeakPolarHBondContact O-CB 3.18Å; F262-I266 WeakPolarHBondContact O-CG1 3.18Å; F262-I266 PolarHBondContact O-N 2.95Å; F262-N315 PolarHBondContact N-OD1 3.03Å |
| 263 | I | 94 | Very high | 90.8 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.5 | -33.8 | 179.3 | -60.3 | -60.9 | 0 | 0 | 0 | 111.1 | L257 G261 N267 N315 Q318 L319 L322 | L257-I263 HydrophobicContact CD2-CD1 3.99Å; L257-I263 HydrophobicContact CD2-CG1 4.28Å; G261-I263 PolarHBondContact O-N 3.19Å; I263-N267 VanDerWaalsContact O-CB 3.28Å; I263-N267 WeakPolarHBondContact O-CB 3.41Å; I263-N267 PolarHBondContact O-N 3.27Å; I263-N315 HydrophobicContact CB-CB 4.48Å; I263-N315 HydrophobicContact CG1-CB 3.79Å; I263-N315 PolarHBondContact N-OD1 2.86Å; I263-N315 VanDerWaalsContact N-OD1 3.13Å; I263-Q318 HydrophobicContact CB-CB 4.49Å; I263-Q318 HydrophobicContact CG2-CB 4.01Å; I263-Q318 HydrophobicContact CG2-CG 3.85Å; I263-L319 HydrophobicContact CD1-CD1 4.26Å; I263-L322 HydrophobicContact CG2-CD1 3.96Å |
| 264 | L | 91.7 | Very high | 90.3 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 7% | 0.068 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.9 | -47.9 | 176.2 | -177.2 | 148.2 | 0 | 0 | 0 | 111.7 | G261 F262 S268 Q318 F380 S383 Q384 L453 | G261-L264 WeakPolarHBondContact O-CA 3.39Å; G261-L264 WeakPolarHBondContact O-CB 3.44Å; G261-L264 PolarHBondContact O-N 3.37Å; F262-L264 VanDerWaalsContact C-N 3.3Å; F262-L264 PolarHBondContact O-N 2.85Å; L264-S268 WeakPolarHBondContact O-CB 3.36Å; L264-S268 PolarHBondContact O-N 3.02Å; L264-S268 VanDerWaalsContact O-N 3.08Å; L264-S268 PolarHBondContact O-OG 3.28Å; L264-Q318 VanDerWaalsContact CB-OE1 3.25Å; L264-Q318 VanDerWaalsContact N-OE1 3.12Å; L264-F380 HydrophobicContact CD2-CD1 4.16Å; L264-S383 WeakPolarHBondContact CD1-OG 3.49Å; L264-Q384 HydrophobicContact CB-CG 4.17Å; L264-Q384 HydrophobicContact CD1-CG 3.78Å; L264-L453 HydrophobicContact CD1-CD2 3.43Å; L264-L453 VanDerWaalsContact CD1-CD2 3.43Å; L264-L453 HydrophobicContact CG-CD2 4.2Å |
| 265 | H | 91.9 | Very high | 89.9 | Confident | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.3 | -37.6 | -179.5 | -64.6 | -51.5 | 0 | 0 | 0 | 111.8 | L216 P221 L228 G261 F262 S268 M269 F380 | L216-H265 HydrophobicContact CD2-CB 4.38Å; P221-H265 WeakPolarHBondContact CG-CE1 3.44Å; L228-H265 HydrophobicContact CD2-CB 3.8Å; G261-H265 PolarHBondContact O-CD2 3.1Å; G261-H265 PolarHBondContact O-N 3.23Å; F262-H265 PolarHBondContact O-N 3.17Å; H265-S268 WeakPolarHBondContact CA-OG 3.49Å; H265-S268 PolarHBondContact O-N 3.11Å; H265-S268 PolarHBondContact O-OG 3.25Å; H265-S268 VanDerWaalsContact O-OG 3.09Å; H265-M269 WeakPolarHBondContact O-CB 3.45Å; H265-M269 WeakPolarHBondContact O-CG 3.38Å; H265-M269 PolarHBondContact O-N 2.84Å; H265-F380 AromaticContact NE2-CD2 3.86Å |
| 266 | I | 91 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.7 | -47.5 | 175.6 | -77 | 168.9 | 0 | 0 | 0 | 111.2 | L228 F232 F262 S268 M269 M270 A273 | L228-I266 HydrophobicContact CD1-CG1 4.09Å; L228-I266 HydrophobicContact CD2-CG1 3.95Å; L228-I266 HydrophobicContact CG-CG1 3.88Å; F232-I266 HydrophobicContact CB-CD1 3.92Å; F232-I266 HydrophobicContact CD2-CD1 3.48Å; F232-I266 VanDerWaalsContact CD2-CD1 3.48Å; F232-I266 HydrophobicContact CE2-CD1 4.25Å; F232-I266 HydrophobicContact CG-CD1 3.92Å; F262-I266 HydrophobicContact CD1-CD1 3.82Å; F262-I266 HydrophobicContact CD2-CD1 3.82Å; F262-I266 HydrophobicContact CE1-CD1 3.29Å; F262-I266 HydrophobicContact CE2-CD1 3.31Å; F262-I266 HydrophobicContact CE2-CG1 4.35Å; F262-I266 HydrophobicContact CG-CD1 4.08Å; F262-I266 HydrophobicContact CZ-CD1 3.04Å; F262-I266 HydrophobicContact CZ-CG1 4.41Å; F262-I266 WeakPolarHBondContact O-CB 3.18Å; F262-I266 WeakPolarHBondContact O-CG1 3.18Å; F262-I266 PolarHBondContact O-N 2.95Å; I266-S268 VanDerWaalsContact C-N 3.26Å; I266-S268 PolarHBondContact O-N 3.4Å; I266-M269 PolarHBondContact O-N 2.68Å; I266-M270 HydrophobicContact CG2-CB 4.48Å; I266-M270 WeakPolarHBondContact O-CA 3.47Å; I266-M270 WeakPolarHBondContact O-CB 3.3Å; I266-M270 PolarHBondContact O-N 2.91Å; I266-A273 HydrophobicContact CG2-CB 3.17Å |
| 267 | N | 88.9 | Confident | 89.3 | Confident | 24 Ų | 24 | 29.3 Ų | 29.3 | 13% | 0.128 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.5 | -32 | -179.4 | -168.1 | 57.7 | 0 | 0 | 0 | 112.7 | I263 G452 | I263-N267 VanDerWaalsContact O-CB 3.28Å; I263-N267 WeakPolarHBondContact O-CB 3.41Å; I263-N267 PolarHBondContact O-N 3.27Å; N267-G452 PolarHBondContact ND2-O 3.47Å |
| 268 | S | 87.9 | Confident | 88.9 | Confident | 56 Ų | 56 | 31.7 Ų | 31.7 | 39% | 0.392 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -81.6 | -32.6 | 178.2 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | L264 H265 I266 | L264-S268 WeakPolarHBondContact O-CB 3.36Å; L264-S268 PolarHBondContact O-N 3.02Å; L264-S268 VanDerWaalsContact O-N 3.08Å; L264-S268 PolarHBondContact O-OG 3.28Å; H265-S268 WeakPolarHBondContact CA-OG 3.49Å; H265-S268 PolarHBondContact O-N 3.11Å; H265-S268 PolarHBondContact O-OG 3.25Å; H265-S268 VanDerWaalsContact O-OG 3.09Å; I266-S268 VanDerWaalsContact C-N 3.26Å; I266-S268 PolarHBondContact O-N 3.4Å |
| 269 | M | 85.9 | Confident | 88.6 | Confident | 46 Ų | 46 | 37.3 Ų | 37.3 | 23% | 0.227 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -98 | -29.5 | -174.3 | -59.7 | -178.7 | 82.8 | 0 | 0 | 113 | L223 K225 L228 H265 I266 | L223-M269 WeakPolarHBondContact O-CE 3.46Å; K225-M269 HydrophobicContact CB-CE 4.15Å; K225-M269 WeakPolarHBondContact CD-O 3.44Å; K225-M269 WeakPolarHBondContact CE-O 3.28Å; K225-M269 VanDerWaalsContact CG-O 3.27Å; K225-M269 WeakPolarHBondContact CG-O 3.33Å; K225-M269 VanDerWaalsContact N-CE 3.34Å; K225-M269 PolarHBondContact NZ-O 2.64Å; K225-M269 VanDerWaalsContact NZ-O 3.09Å; L228-M269 HydrophobicContact CD2-CB 4.32Å; L228-M269 HydrophobicContact CD2-CG 4.44Å; L228-M269 HydrophobicContact CD2-SD 3.67Å; H265-M269 WeakPolarHBondContact O-CB 3.45Å; H265-M269 WeakPolarHBondContact O-CG 3.38Å; H265-M269 PolarHBondContact O-N 2.84Å; I266-M269 PolarHBondContact O-N 2.68Å |
| 270 | M | 84.2 | Confident | 88.5 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | trans | -120.6 | 97.2 | -170.7 | -176.8 | -179.1 | 131.2 | 0 | 0 | 111 | T229 F232 I266 E272 A273 I276 | T229-M270 HydrophobicContact CG2-CG 4.16Å; T229-M270 HydrophobicContact CG2-SD 3.72Å; F232-M270 HydrophobicContact CB-SD 4.38Å; F232-M270 HydrophobicContact CD1-CE 3.16Å; F232-M270 HydrophobicContact CD1-SD 3.84Å; F232-M270 HydrophobicContact CE1-CE 3.37Å; F232-M270 HydrophobicContact CG-CE 4.19Å; F232-M270 HydrophobicContact CG-SD 4.39Å; I266-M270 HydrophobicContact CG2-CB 4.48Å; I266-M270 WeakPolarHBondContact O-CA 3.47Å; I266-M270 WeakPolarHBondContact O-CB 3.3Å; I266-M270 PolarHBondContact O-N 2.91Å; M270-E272 VanDerWaalsContact C-N 3.29Å; M270-E272 PolarHBondContact O-N 2.97Å; M270-A273 HydrophobicContact CB-CB 3.97Å; M270-A273 HydrophobicContact CE-CB 3.31Å; M270-A273 HydrophobicContact CG-CB 3.8Å; M270-A273 WeakPolarHBondContact O-CB 3.26Å; M270-A273 PolarHBondContact O-N 3.31Å; M270-A273 HydrophobicContact SD-CB 3.92Å; M270-I276 HydrophobicContact CE-CD1 3.82Å | ||
| 271 | N | 81.2 | Confident | 88.4 | Confident | 118 Ų | 118 | 47.8 Ų | 47.8 | 63% | 0.631 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -59.5 | -39.5 | -178.3 | -60.4 | 0.7 | 0 | 0 | 0 | 112.3 | A273 | N271-A273 PolarHBondContact O-N 3.3Å |
| 272 | E | 82.7 | Confident | 88.5 | Confident | 130 Ų | 130 | 47.8 Ų | 47.8 | 61% | 0.607 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -69.4 | -12.5 | 178.2 | -62.8 | 170.8 | -170.2 | 0 | 0 | 113.2 | M270 Y274 D275 I276 | M270-E272 VanDerWaalsContact C-N 3.29Å; M270-E272 PolarHBondContact O-N 2.97Å; E272-Y274 VanDerWaalsContact C-N 3.28Å; E272-Y274 PolarHBondContact O-N 3.11Å; E272-D275 PolarHBondContact O-N 3.39Å; E272-I276 WeakPolarHBondContact O-CG1 3.4Å; E272-I276 PolarHBondContact O-N 3.25Å; E272-I276 VanDerWaalsContact O-N 3.09Å |
| 273 | A | 83.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -38.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I266 M270 N271 D275 I276 I277 | I266-A273 HydrophobicContact CG2-CB 3.17Å; M270-A273 HydrophobicContact CB-CB 3.97Å; M270-A273 HydrophobicContact CE-CB 3.31Å; M270-A273 HydrophobicContact CG-CB 3.8Å; M270-A273 WeakPolarHBondContact O-CB 3.26Å; M270-A273 PolarHBondContact O-N 3.31Å; M270-A273 HydrophobicContact SD-CB 3.92Å; N271-A273 PolarHBondContact O-N 3.3Å; A273-D275 VanDerWaalsContact C-N 3.29Å; A273-D275 PolarHBondContact O-N 2.88Å; A273-I276 PolarHBondContact O-N 3.37Å; A273-I277 HydrophobicContact CB-CD1 4.47Å; A273-I277 VanDerWaalsContact O-CB 3.28Å; A273-I277 WeakPolarHBondContact O-CB 3.3Å; A273-I277 WeakPolarHBondContact O-CD1 3.28Å; A273-I277 WeakPolarHBondContact O-CG1 3.4Å; A273-I277 PolarHBondContact O-N 3.25Å |
| 274 | Y | 84.5 | Confident | 88.2 | Confident | 79 Ų | 79 | 48.5 Ų | 48.5 | 31% | 0.31 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.2 | -48.3 | 175.9 | -179.2 | -101.1 | 0 | 0 | 0 | 110.5 | E272 I276 I277 V278 L322 P455 | E272-Y274 VanDerWaalsContact C-N 3.28Å; E272-Y274 PolarHBondContact O-N 3.11Å; Y274-I276 PolarHBondContact O-N 3.19Å; Y274-I277 PolarHBondContact O-N 3.46Å; Y274-V278 HydrophobicContact CD1-CG2 4.42Å; Y274-V278 HydrophobicContact CD2-CG2 4.21Å; Y274-V278 HydrophobicContact CE1-CG2 4.05Å; Y274-V278 HydrophobicContact CE2-CG2 3.8Å; Y274-V278 HydrophobicContact CG-CG2 4.49Å; Y274-V278 WeakPolarHBondContact O-CB 3.41Å; Y274-V278 VanDerWaalsContact O-CG2 3.27Å; Y274-V278 WeakPolarHBondContact O-CG2 3.36Å; Y274-V278 PolarHBondContact O-N 2.91Å; Y274-L322 HydrophobicContact CD2-CB 4.36Å; Y274-L322 HydrophobicContact CD2-CD2 4.15Å; Y274-L322 HydrophobicContact CE2-CB 4.27Å; Y274-L322 HydrophobicContact CE2-CD2 4.4Å; Y274-P455 HydrophobicContact CD2-CB 4.48Å; Y274-P455 HydrophobicContact CE2-CB 3.87Å |
| 275 | D | 85.7 | Confident | 88.3 | Confident | 85 Ų | 85 | 54 Ų | 54 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | -179.8 | -59.4 | -35.2 | 0 | 0 | 0 | 111.7 | E272 A273 N279 | E272-D275 PolarHBondContact O-N 3.39Å; A273-D275 VanDerWaalsContact C-N 3.29Å; A273-D275 PolarHBondContact O-N 2.88Å; D275-N279 WeakPolarHBondContact O-CB 3.45Å; D275-N279 PolarHBondContact O-N 2.72Å; D275-N279 PolarHBondContact O-ND2 2.9Å |
| 276 | I | 88.1 | Confident | 88.4 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 24% | 0.236 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 178.5 | -65.5 | 166.3 | 0 | 0 | 0 | 111 | F232 M236 M270 E272 A273 Y274 E280 | F232-I276 HydrophobicContact CE1-CB 4.25Å; F232-I276 HydrophobicContact CE1-CD1 4.12Å; F232-I276 HydrophobicContact CE1-CG2 3.99Å; F232-I276 HydrophobicContact CZ-CG2 4.25Å; M236-I276 HydrophobicContact CE-CG2 4.19Å; M270-I276 HydrophobicContact CE-CD1 3.82Å; E272-I276 WeakPolarHBondContact O-CG1 3.4Å; E272-I276 PolarHBondContact O-N 3.25Å; E272-I276 VanDerWaalsContact O-N 3.09Å; A273-I276 PolarHBondContact O-N 3.37Å; Y274-I276 PolarHBondContact O-N 3.19Å; I276-E280 HydrophobicContact CG2-CG 4.44Å; I276-E280 VanDerWaalsContact O-CB 3.3Å; I276-E280 WeakPolarHBondContact O-CB 3.37Å; I276-E280 WeakPolarHBondContact O-CG 3.32Å; I276-E280 PolarHBondContact O-N 3.32Å |
| 277 | I | 89.6 | Confident | 88.5 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.9 | -51.9 | -179.9 | -72.7 | 169.5 | 0 | 0 | 0 | 109.7 | F232 A273 Y274 R281 L282 L319 L322 E323 | F232-I277 HydrophobicContact CZ-CD1 4.44Å; F232-I277 HydrophobicContact CZ-CG1 4.03Å; A273-I277 HydrophobicContact CB-CD1 4.47Å; A273-I277 VanDerWaalsContact O-CB 3.28Å; A273-I277 WeakPolarHBondContact O-CB 3.3Å; A273-I277 WeakPolarHBondContact O-CD1 3.28Å; A273-I277 WeakPolarHBondContact O-CG1 3.4Å; A273-I277 PolarHBondContact O-N 3.25Å; Y274-I277 PolarHBondContact O-N 3.46Å; I277-R281 PolarHBondContact O-N 3.34Å; I277-L282 HydrophobicContact CG1-CD2 4.09Å; I277-L282 HydrophobicContact CG2-CB 4.37Å; I277-L282 PolarHBondContact O-N 2.91Å; I277-L282 VanDerWaalsContact O-N 3.14Å; I277-L319 HydrophobicContact CD1-CD1 4.25Å; I277-L319 HydrophobicContact CG1-CD1 4.47Å; I277-L319 HydrophobicContact CG2-CD1 3.6Å; I277-L322 HydrophobicContact CD1-CD1 3.94Å; I277-L322 HydrophobicContact CG2-CB 4.41Å; I277-L322 HydrophobicContact CG2-CD1 4.48Å; I277-E323 HydrophobicContact CG2-CG 4.05Å; I277-E323 WeakPolarHBondContact CG2-OE1 3.21Å |
| 278 | V | 87.4 | Confident | 88.8 | Confident | 50 Ų | 50 | 54.9 Ų | 54.9 | 30% | 0.303 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.8 | -44.7 | -177.6 | 173.8 | 0 | 0 | 0 | 0 | 112.2 | Y274 R281 E323 | Y274-V278 HydrophobicContact CD1-CG2 4.42Å; Y274-V278 HydrophobicContact CD2-CG2 4.21Å; Y274-V278 HydrophobicContact CE1-CG2 4.05Å; Y274-V278 HydrophobicContact CE2-CG2 3.8Å; Y274-V278 HydrophobicContact CG-CG2 4.49Å; Y274-V278 WeakPolarHBondContact O-CB 3.41Å; Y274-V278 VanDerWaalsContact O-CG2 3.27Å; Y274-V278 WeakPolarHBondContact O-CG2 3.36Å; Y274-V278 PolarHBondContact O-N 2.91Å; V278-R281 PolarHBondContact O-N 2.89Å; V278-E323 HydrophobicContact CG2-CG 4.21Å |
| 279 | N | 89.6 | Confident | 89 | Confident | 122 Ų | 122 | 53.2 Ų | 53.2 | 65% | 0.652 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65.4 | -42.5 | -178.5 | -71.3 | -26.3 | 0 | 0 | 0 | 112 | D275 R281 | D275-N279 WeakPolarHBondContact O-CB 3.45Å; D275-N279 PolarHBondContact O-N 2.72Å; D275-N279 PolarHBondContact O-ND2 2.9Å; N279-R281 VanDerWaalsContact C-N 3.29Å; N279-R281 PolarHBondContact O-N 3.36Å |
| 280 | E | 90.8 | Very high | 89.4 | Confident | 68 Ų | 68 | 51.1 Ų | 51.1 | 32% | 0.318 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -83.4 | -5.9 | -179.8 | -63.4 | -62.1 | 150.4 | 0 | 0 | 113.2 | I240 F244 I276 L282 | I240-E280 HydrophobicContact CD1-CG 4.07Å; I240-E280 HydrophobicContact CG1-CG 4.06Å; F244-E280 HydrophobicContact CE2-CB 4.25Å; F244-E280 HydrophobicContact CZ-CB 4.02Å; I276-E280 HydrophobicContact CG2-CG 4.44Å; I276-E280 VanDerWaalsContact O-CB 3.3Å; I276-E280 WeakPolarHBondContact O-CB 3.37Å; I276-E280 WeakPolarHBondContact O-CG 3.32Å; I276-E280 PolarHBondContact O-N 3.32Å; E280-L282 VanDerWaalsContact C-N 3.29Å; E280-L282 PolarHBondContact O-N 3.02Å |
| 281 | R | 91.5 | Very high | 89.8 | Confident | 151 Ų | 151 | 54 Ų | 54 | 57% | 0.57 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 45.8 | -177.4 | -55.2 | -167.8 | 171.7 | -178.3 | -3 | 112 | I277 V278 N279 C283 S284 R285 E323 I326 | I277-R281 PolarHBondContact O-N 3.34Å; V278-R281 PolarHBondContact O-N 2.89Å; N279-R281 VanDerWaalsContact C-N 3.29Å; N279-R281 PolarHBondContact O-N 3.36Å; R281-C283 VanDerWaalsContact C-N 3.26Å; R281-C283 PolarHBondContact O-N 2.71Å; R281-S284 WeakPolarHBondContact O-CB 3.37Å; R281-S284 PolarHBondContact O-N 2.91Å; R281-S284 VanDerWaalsContact O-N 3.11Å; R281-R285 WeakPolarHBondContact O-CG 3.37Å; R281-R285 PolarHBondContact O-N 3.18Å; R281-R285 VanDerWaalsContact O-N 3.1Å; R281-E323 WeakPolarHBondContact CA-OE2 3.48Å; R281-I326 HydrophobicContact CB-CD1 3.61Å; R281-I326 HydrophobicContact CG-CD1 3.63Å |
| 282 | L | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.6 | -42.4 | -172.1 | 178.2 | 60 | 0 | 0 | 0 | 111.5 | M236 F244 F252 I277 E280 R285 I286 L319 E323 | M236-L282 HydrophobicContact CE-CD1 4.06Å; M236-L282 HydrophobicContact CE-CD2 4.2Å; M236-L282 HydrophobicContact SD-CD1 4.02Å; M236-L282 HydrophobicContact SD-CD2 3.89Å; F244-L282 HydrophobicContact CE1-CD1 3.75Å; F244-L282 HydrophobicContact CZ-CD1 4.44Å; F252-L282 HydrophobicContact CE1-CD1 4.49Å; I277-L282 HydrophobicContact CG1-CD2 4.09Å; I277-L282 HydrophobicContact CG2-CB 4.37Å; I277-L282 PolarHBondContact O-N 2.91Å; I277-L282 VanDerWaalsContact O-N 3.14Å; E280-L282 VanDerWaalsContact C-N 3.29Å; E280-L282 PolarHBondContact O-N 3.02Å; L282-R285 PolarHBondContact O-N 3.4Å; L282-I286 HydrophobicContact CD1-CD1 3.59Å; L282-I286 HydrophobicContact CD1-CG1 4.12Å; L282-I286 HydrophobicContact CD2-CD1 4.48Å; L282-I286 HydrophobicContact CG-CD1 3.67Å; L282-I286 WeakPolarHBondContact O-CD1 3.46Å; L282-I286 WeakPolarHBondContact O-CG1 3.37Å; L282-I286 PolarHBondContact O-N 3.43Å; L282-I286 VanDerWaalsContact O-N 3.07Å; L282-L319 HydrophobicContact CD2-CD1 4.28Å; L282-L319 HydrophobicContact CG-CD2 4.38Å; L282-E323 PolarHBondContact N-OE1 3.11Å |
| 283 | C | 92.2 | Very high | 90.7 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -48.3 | 177.9 | -165.3 | 0 | 0 | 0 | 0 | 111.7 | R281 R285 I286 I287 L319 E323 I326 | R281-C283 VanDerWaalsContact C-N 3.26Å; R281-C283 PolarHBondContact O-N 2.71Å; C283-R285 VanDerWaalsContact C-N 3.33Å; C283-R285 PolarHBondContact O-N 3.43Å; C283-I286 PolarHBondContact O-N 3.41Å; C283-I287 WeakPolarHBondContact O-CB 3.42Å; C283-I287 VanDerWaalsContact O-CG1 3.3Å; C283-I287 WeakPolarHBondContact O-CG1 3.18Å; C283-I287 PolarHBondContact O-N 2.92Å; C283-L319 HydrophobicContact CB-CD2 4.1Å; C283-L319 HydrophobicContact CB-CG 3.82Å; C283-E323 HydrophobicContact CB-CB 4.13Å; C283-E323 VanDerWaalsContact CB-CD 3.44Å; C283-E323 HydrophobicContact CB-CG 4.27Å; C283-E323 WeakPolarHBondContact CB-OE2 3.32Å; C283-E323 PolarHBondContact N-OE1 3.12Å; C283-E323 PolarHBondContact N-OE2 3.08Å; C283-I326 HydrophobicContact CB-CG2 4.47Å |
| 284 | S | 91.3 | Very high | 90.8 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.6 | -49.8 | 178.8 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | R281 I286 I287 M288 I326 H330 | R281-S284 WeakPolarHBondContact O-CB 3.37Å; R281-S284 PolarHBondContact O-N 2.91Å; R281-S284 VanDerWaalsContact O-N 3.11Å; S284-I286 PolarHBondContact O-N 3.42Å; S284-I287 PolarHBondContact O-N 3.28Å; S284-M288 WeakPolarHBondContact O-CB 3.45Å; S284-M288 VanDerWaalsContact O-CG 3.25Å; S284-M288 WeakPolarHBondContact O-CG 3.37Å; S284-M288 PolarHBondContact O-N 3.09Å; S284-I326 VanDerWaalsContact CB-CG2 3.44Å; S284-H330 PolarHBondContact OG-CD2 3.27Å; S284-H330 PolarHBondContact OG-NE2 2.82Å |
| 285 | R | 93.5 | Very high | 91 | Very high | 128 Ų | 128 | 53.5 Ų | 53.5 | 48% | 0.483 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | -177.2 | -63.2 | -60.8 | -175.8 | -178.9 | 0.1 | 111.5 | F244 R281 L282 C283 T289 | F244-R285 HydrophobicContact CB-CB 4.46Å; F244-R285 HydrophobicContact CB-CG 4.37Å; F244-R285 HydrophobicContact CD1-CB 3.84Å; F244-R285 HydrophobicContact CD1-CG 4.02Å; F244-R285 HydrophobicContact CD2-CG 4.21Å; F244-R285 HydrophobicContact CE1-CB 4.29Å; F244-R285 HydrophobicContact CE1-CG 4.35Å; F244-R285 HydrophobicContact CG-CB 4.17Å; F244-R285 HydrophobicContact CG-CG 3.95Å; R281-R285 WeakPolarHBondContact O-CG 3.37Å; R281-R285 PolarHBondContact O-N 3.18Å; R281-R285 VanDerWaalsContact O-N 3.1Å; L282-R285 PolarHBondContact O-N 3.4Å; C283-R285 VanDerWaalsContact C-N 3.33Å; C283-R285 PolarHBondContact O-N 3.43Å; R285-T289 WeakPolarHBondContact O-CB 3.47Å; R285-T289 PolarHBondContact O-N 2.87Å; R285-T289 PolarHBondContact O-OG1 2.71Å |
| 286 | I | 94.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63 | -50.8 | 179.4 | -66 | 156.2 | 0 | 0 | 0 | 110.8 | V249 F252 L257 L282 C283 S284 M288 T289 L290 L316 L319 | V249-I286 HydrophobicContact CG1-CB 4.47Å; V249-I286 HydrophobicContact CG1-CG1 4.1Å; F252-I286 HydrophobicContact CE1-CD1 4.39Å; L257-I286 HydrophobicContact CD1-CD1 3.6Å; L257-I286 HydrophobicContact CD1-CG1 4.35Å; L257-I286 HydrophobicContact CD1-CG2 4.17Å; L282-I286 HydrophobicContact CD1-CD1 3.59Å; L282-I286 HydrophobicContact CD1-CG1 4.12Å; L282-I286 HydrophobicContact CD2-CD1 4.48Å; L282-I286 HydrophobicContact CG-CD1 3.67Å; L282-I286 WeakPolarHBondContact O-CD1 3.46Å; L282-I286 WeakPolarHBondContact O-CG1 3.37Å; L282-I286 PolarHBondContact O-N 3.43Å; L282-I286 VanDerWaalsContact O-N 3.07Å; C283-I286 PolarHBondContact O-N 3.41Å; S284-I286 PolarHBondContact O-N 3.42Å; I286-M288 PolarHBondContact O-N 3.39Å; I286-T289 PolarHBondContact O-N 3.26Å; I286-L290 HydrophobicContact CG2-CD1 3.74Å; I286-L290 HydrophobicContact CG2-CG 4.18Å; I286-L290 WeakPolarHBondContact O-CB 3.4Å; I286-L290 VanDerWaalsContact O-CG 3.26Å; I286-L290 WeakPolarHBondContact O-CG 3.27Å; I286-L290 PolarHBondContact O-N 3.38Å; I286-L316 HydrophobicContact CG2-CD2 3.85Å; I286-L319 HydrophobicContact CD1-CD2 3.66Å |
| 287 | I | 93.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | -176 | -67.5 | -60 | 0 | 0 | 0 | 111.4 | C283 S284 L290 Y291 L316 E333 F334 V337 | C283-I287 WeakPolarHBondContact O-CB 3.42Å; C283-I287 VanDerWaalsContact O-CG1 3.3Å; C283-I287 WeakPolarHBondContact O-CG1 3.18Å; C283-I287 PolarHBondContact O-N 2.92Å; S284-I287 PolarHBondContact O-N 3.28Å; I287-L290 PolarHBondContact O-N 3.48Å; I287-Y291 VanDerWaalsContact O-CB 3.25Å; I287-Y291 WeakPolarHBondContact O-CB 3.37Å; I287-Y291 PolarHBondContact O-N 3.01Å; I287-L316 HydrophobicContact CD1-CD2 4.18Å; I287-E333 HydrophobicContact CG2-CB 3.91Å; I287-F334 HydrophobicContact CD1-CD2 3.79Å; I287-F334 HydrophobicContact CG1-CD2 4.15Å; I287-F334 HydrophobicContact CG2-CB 4.09Å; I287-V337 HydrophobicContact CD1-CG1 4.33Å |
| 288 | M | 93.9 | Very high | 91.3 | Very high | 47 Ų | 47 | 54.7 Ų | 54.7 | 23% | 0.232 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 178 | -69.6 | -58.6 | -60.9 | 0 | 0 | 111.5 | S284 I286 L290 Y291 D292 H330 E333 | S284-M288 WeakPolarHBondContact O-CB 3.45Å; S284-M288 VanDerWaalsContact O-CG 3.25Å; S284-M288 WeakPolarHBondContact O-CG 3.37Å; S284-M288 PolarHBondContact O-N 3.09Å; I286-M288 PolarHBondContact O-N 3.39Å; M288-L290 PolarHBondContact O-N 3.34Å; M288-Y291 PolarHBondContact O-N 3.33Å; M288-D292 WeakPolarHBondContact O-CB 3.48Å; M288-D292 VanDerWaalsContact O-CG 3.26Å; M288-D292 PolarHBondContact O-N 3.27Å; M288-H330 HydrophobicContact SD-CB 4.46Å; M288-H330 PolarHBondContact SD-ND1 3.4Å; M288-E333 HydrophobicContact SD-CB 4.36Å; M288-E333 HydrophobicContact SD-CG 3.95Å |
| 289 | T | 93.4 | Very high | 91.4 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 13% | 0.129 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 176.4 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | Q246 V249 I250 R285 I286 Y291 S293 | Q246-T289 HydrophobicContact CB-CG2 4.15Å; Q246-T289 HydrophobicContact CG-CG2 3.84Å; V249-T289 HydrophobicContact CB-CG2 4.12Å; V249-T289 HydrophobicContact CG1-CG2 3.97Å; I250-T289 HydrophobicContact CD1-CG2 4.46Å; I250-T289 HydrophobicContact CG1-CG2 4.26Å; R285-T289 WeakPolarHBondContact O-CB 3.47Å; R285-T289 PolarHBondContact O-N 2.87Å; R285-T289 PolarHBondContact O-OG1 2.71Å; I286-T289 PolarHBondContact O-N 3.26Å; T289-Y291 VanDerWaalsContact C-N 3.29Å; T289-Y291 PolarHBondContact O-N 3.25Å; T289-S293 WeakPolarHBondContact O-CB 3.49Å; T289-S293 PolarHBondContact O-N 2.49Å; T289-S293 PolarHBondContact O-OG 2.92Å; T289-S293 VanDerWaalsContact O-OG 3.14Å |
| 290 | L | 93.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.9 | -30.3 | 178 | -65.3 | 179.5 | 0 | 0 | 0 | 112.7 | T253 I286 I287 M288 F297 L300 L316 V337 | T253-L290 HydrophobicContact CG2-CD1 4.18Å; T253-L290 HydrophobicContact CG2-CD2 4.33Å; I286-L290 HydrophobicContact CG2-CD1 3.74Å; I286-L290 HydrophobicContact CG2-CG 4.18Å; I286-L290 WeakPolarHBondContact O-CB 3.4Å; I286-L290 VanDerWaalsContact O-CG 3.26Å; I286-L290 WeakPolarHBondContact O-CG 3.27Å; I286-L290 PolarHBondContact O-N 3.38Å; I287-L290 PolarHBondContact O-N 3.48Å; M288-L290 PolarHBondContact O-N 3.34Å; L290-F297 HydrophobicContact CB-CD2 4.34Å; L290-F297 HydrophobicContact CB-CG 4.42Å; L290-F297 HydrophobicContact CD1-CD2 4.47Å; L290-F297 HydrophobicContact CD1-CE2 4.23Å; L290-F297 HydrophobicContact CD2-CB 4.49Å; L290-F297 HydrophobicContact CD2-CD2 3.78Å; L290-F297 HydrophobicContact CD2-CE2 4.33Å; L290-F297 HydrophobicContact CD2-CG 4.38Å; L290-F297 HydrophobicContact CG-CD2 4.41Å; L290-L300 HydrophobicContact CD2-CD2 4.32Å; L290-L316 HydrophobicContact CD1-CD1 4.46Å; L290-V337 HydrophobicContact CB-CG1 4.06Å; L290-V337 HydrophobicContact CB-CG2 4.1Å; L290-V337 HydrophobicContact CD1-CG1 4.01Å |
| 291 | Y | 92.8 | Very high | 91.4 | Very high | 66 Ų | 66 | 47.7 Ų | 47.7 | 26% | 0.259 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -74.1 | -51.3 | 176.6 | 178 | -98.4 | 0 | 0 | 0 | 112 | I287 M288 T289 E333 I336 | I287-Y291 VanDerWaalsContact O-CB 3.25Å; I287-Y291 WeakPolarHBondContact O-CB 3.37Å; I287-Y291 PolarHBondContact O-N 3.01Å; M288-Y291 PolarHBondContact O-N 3.33Å; T289-Y291 VanDerWaalsContact C-N 3.29Å; T289-Y291 PolarHBondContact O-N 3.25Å; Y291-E333 HydrophobicContact CD1-CB 4.38Å; Y291-E333 HydrophobicContact CD1-CG 3.76Å; Y291-E333 HydrophobicContact CD2-CB 4.01Å; Y291-E333 HydrophobicContact CD2-CG 4.04Å; Y291-E333 HydrophobicContact CE1-CG 3.97Å; Y291-E333 HydrophobicContact CE2-CG 4.25Å; Y291-E333 HydrophobicContact CG-CB 3.91Å; Y291-E333 HydrophobicContact CG-CG 3.79Å; Y291-I336 HydrophobicContact CD2-CB 4.37Å; Y291-I336 HydrophobicContact CD2-CG2 4.17Å; Y291-I336 HydrophobicContact CE2-CB 4.31Å; Y291-I336 HydrophobicContact CE2-CD1 3.77Å; Y291-I336 HydrophobicContact CE2-CG2 4.09Å |
| 292 | D | 92.1 | Very high | 91.2 | Very high | 111 Ų | 111 | 43.9 Ų | 43.9 | 59% | 0.594 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -65.5 | -39.5 | -179 | -66.8 | -24 | 0 | 0 | 0 | 111 | M288 S294 | M288-D292 WeakPolarHBondContact O-CB 3.48Å; M288-D292 VanDerWaalsContact O-CG 3.26Å; M288-D292 PolarHBondContact O-N 3.27Å; D292-S294 PolarHBondContact O-N 3.16Å |
| 293 | S | 90.5 | Very high | 90.9 | Very high | 12 Ų | 12 | 51 Ų | 51 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 51.6 | -178.4 | -50.2 | 0 | 0 | 0 | 0 | 112.5 | Q246 T289 E295 E296 F297 | Q246-S293 PolarHBondContact NE2-OG 3.43Å; Q246-S293 PolarHBondContact OE1-OG 3Å; T289-S293 WeakPolarHBondContact O-CB 3.49Å; T289-S293 PolarHBondContact O-N 2.49Å; T289-S293 PolarHBondContact O-OG 2.92Å; T289-S293 VanDerWaalsContact O-OG 3.14Å; S293-E295 PolarHBondContact O-N 3.46Å; S293-E295 VanDerWaalsContact O-N 3.13Å; S293-E296 PolarHBondContact O-N 2.91Å; S293-E296 VanDerWaalsContact O-N 3.14Å; S293-F297 WeakPolarHBondContact O-CB 3.43Å; S293-F297 PolarHBondContact O-N 3.47Å |
| 294 | S | 87.1 | Confident | 90.6 | Very high | 33 Ų | 33 | 51.8 Ų | 51.8 | 23% | 0.231 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.9 | -31.4 | -172.8 | -171.1 | 0 | 0 | 0 | 0 | 114 | D292 N298 K340 | D292-S294 PolarHBondContact O-N 3.16Å; S294-N298 WeakPolarHBondContact O-CB 3.42Å; S294-N298 PolarHBondContact O-N 2.92Å; S294-N298 PolarHBondContact O-ND2 3.43Å; S294-K340 PolarHBondContact OG-NZ 2.85Å |
| 295 | E | 88.9 | Confident | 90.3 | Very high | 161 Ų | 161 | 54.8 Ų | 54.8 | 75% | 0.752 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -69.1 | -48.3 | 176.6 | -67.1 | -172.5 | 171.4 | 0 | 0 | 111.8 | S293 F297 N298 I299 | S293-E295 PolarHBondContact O-N 3.46Å; S293-E295 VanDerWaalsContact O-N 3.13Å; E295-F297 VanDerWaalsContact C-N 3.28Å; E295-F297 PolarHBondContact O-N 2.99Å; E295-N298 PolarHBondContact O-N 3.32Å; E295-N298 VanDerWaalsContact O-N 3.17Å; E295-I299 WeakPolarHBondContact O-CG1 3.4Å; E295-I299 PolarHBondContact O-N 3.24Å |
| 296 | E | 88.5 | Confident | 89.9 | Confident | 75 Ų | 75 | 48.7 Ų | 48.7 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.3 | -34 | 178.2 | -63 | -173.8 | 156.5 | 0 | 0 | 111.6 | Q246 I250 S293 I299 L300 | Q246-E296 VanDerWaalsContact NE2-CD 3.33Å; Q246-E296 PolarHBondContact NE2-OE2 2.87Å; I250-E296 HydrophobicContact CD1-CB 3.78Å; I250-E296 HydrophobicContact CD1-CG 4.45Å; I250-E296 WeakPolarHBondContact CD1-OE2 3.22Å; S293-E296 PolarHBondContact O-N 2.91Å; S293-E296 VanDerWaalsContact O-N 3.14Å; E296-I299 PolarHBondContact O-N 3.16Å; E296-L300 WeakPolarHBondContact O-CB 3.45Å; E296-L300 PolarHBondContact O-N 3.01Å |
| 297 | F | 90.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 171.9 | 178.8 | -134.1 | 0 | 0 | 0 | 112.2 | L290 S293 E295 I299 L300 L301 V337 K340 S341 | L290-F297 HydrophobicContact CB-CD2 4.34Å; L290-F297 HydrophobicContact CB-CG 4.42Å; L290-F297 HydrophobicContact CD1-CD2 4.47Å; L290-F297 HydrophobicContact CD1-CE2 4.23Å; L290-F297 HydrophobicContact CD2-CB 4.49Å; L290-F297 HydrophobicContact CD2-CD2 3.78Å; L290-F297 HydrophobicContact CD2-CE2 4.33Å; L290-F297 HydrophobicContact CD2-CG 4.38Å; L290-F297 HydrophobicContact CG-CD2 4.41Å; S293-F297 WeakPolarHBondContact O-CB 3.43Å; S293-F297 PolarHBondContact O-N 3.47Å; E295-F297 VanDerWaalsContact C-N 3.28Å; E295-F297 PolarHBondContact O-N 2.99Å; F297-I299 VanDerWaalsContact C-N 3.32Å; F297-I299 PolarHBondContact O-N 3.34Å; F297-L300 HydrophobicContact CD2-CD2 4.35Å; F297-L300 WeakPolarHBondContact O-CB 3.14Å; F297-L300 PolarHBondContact O-N 3.16Å; F297-L301 HydrophobicContact CD1-CD1 4.4Å; F297-L301 HydrophobicContact CD2-CD1 4.41Å; F297-L301 HydrophobicContact CD2-CG 4.21Å; F297-L301 HydrophobicContact CE1-CD1 4Å; F297-L301 HydrophobicContact CE2-CD1 4.02Å; F297-L301 HydrophobicContact CE2-CD2 4.05Å; F297-L301 HydrophobicContact CE2-CG 3.93Å; F297-L301 HydrophobicContact CZ-CD1 3.83Å; F297-L301 HydrophobicContact CZ-CD2 4.4Å; F297-L301 HydrophobicContact CZ-CG 4.25Å; F297-L301 WeakPolarHBondContact O-CG 3.15Å; F297-L301 PolarHBondContact O-N 3.07Å; F297-V337 HydrophobicContact CE1-CG1 4.08Å; F297-V337 HydrophobicContact CE2-CG1 4.42Å; F297-V337 HydrophobicContact CZ-CG1 3.73Å; F297-K340 HydrophobicContact CE1-CB 3.91Å; F297-K340 HydrophobicContact CE1-CD 4.4Å; F297-S341 VanDerWaalsContact CZ-OG 3.28Å; F297-S341 WeakPolarHBondContact CZ-OG 3.37Å |
| 298 | N | 89.2 | Confident | 89.3 | Confident | 79 Ų | 79 | 50.6 Ų | 50.6 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65 | -36.3 | 174.2 | -72.2 | -25.6 | 0 | 0 | 0 | 111.9 | S294 E295 L300 L301 S302 | S294-N298 WeakPolarHBondContact O-CB 3.42Å; S294-N298 PolarHBondContact O-N 2.92Å; S294-N298 PolarHBondContact O-ND2 3.43Å; E295-N298 PolarHBondContact O-N 3.32Å; E295-N298 VanDerWaalsContact O-N 3.17Å; N298-L300 VanDerWaalsContact C-N 3.34Å; N298-L301 PolarHBondContact O-N 2.96Å; N298-S302 WeakPolarHBondContact O-CB 3.43Å; N298-S302 PolarHBondContact O-N 3.39Å; N298-S302 PolarHBondContact O-OG 3.06Å |
| 299 | I | 90.3 | Very high | 89.2 | Confident | 85 Ų | 85 | 48.4 Ų | 48.4 | 44% | 0.436 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.8 | -36.7 | 172.9 | -66.3 | 165.8 | 0 | 0 | 0 | 111.2 | E295 E296 F297 S302 K303 | E295-I299 WeakPolarHBondContact O-CG1 3.4Å; E295-I299 PolarHBondContact O-N 3.24Å; E296-I299 PolarHBondContact O-N 3.16Å; F297-I299 VanDerWaalsContact C-N 3.32Å; F297-I299 PolarHBondContact O-N 3.34Å; I299-S302 WeakPolarHBondContact CA-OG 3.45Å; I299-S302 PolarHBondContact O-OG 3.43Å; I299-K303 HydrophobicContact CG2-CD 4.24Å; I299-K303 WeakPolarHBondContact O-CG 3.43Å; I299-K303 PolarHBondContact O-N 3.48Å |
| 300 | L | 90 | Very high | 89.1 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.9 | -51.2 | 174.7 | 171.1 | 61.9 | 0 | 0 | 0 | 110.3 | T253 R254 L290 E296 F297 N298 S302 K303 L304 | T253-L300 HydrophobicContact CG2-CD2 3.84Å; R254-L300 HydrophobicContact CB-CD1 3.42Å; R254-L300 VanDerWaalsContact CB-CD1 3.42Å; R254-L300 HydrophobicContact CG-CD1 3.44Å; R254-L300 VanDerWaalsContact CG-CD1 3.44Å; L290-L300 HydrophobicContact CD2-CD2 4.32Å; E296-L300 WeakPolarHBondContact O-CB 3.45Å; E296-L300 PolarHBondContact O-N 3.01Å; F297-L300 HydrophobicContact CD2-CD2 4.35Å; F297-L300 WeakPolarHBondContact O-CB 3.14Å; F297-L300 PolarHBondContact O-N 3.16Å; N298-L300 VanDerWaalsContact C-N 3.34Å; L300-S302 VanDerWaalsContact C-N 3.32Å; L300-S302 PolarHBondContact O-N 3.22Å; L300-K303 PolarHBondContact O-N 3.32Å; L300-L304 HydrophobicContact CD1-CD1 3.91Å; L300-L304 HydrophobicContact CD1-CG 4.34Å; L300-L304 HydrophobicContact CG-CD1 4.08Å; L300-L304 WeakPolarHBondContact O-CG 3.37Å; L300-L304 PolarHBondContact O-N 3.44Å |
| 301 | L | 89 | Confident | 89.1 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.8 | -42.9 | 178 | -68.5 | 177.1 | 0 | 0 | 0 | 111.3 | F297 N298 K303 L304 V309 Y344 | F297-L301 HydrophobicContact CD1-CD1 4.4Å; F297-L301 HydrophobicContact CD2-CD1 4.41Å; F297-L301 HydrophobicContact CD2-CG 4.21Å; F297-L301 HydrophobicContact CE1-CD1 4Å; F297-L301 HydrophobicContact CE2-CD1 4.02Å; F297-L301 HydrophobicContact CE2-CD2 4.05Å; F297-L301 HydrophobicContact CE2-CG 3.93Å; F297-L301 HydrophobicContact CZ-CD1 3.83Å; F297-L301 HydrophobicContact CZ-CD2 4.4Å; F297-L301 HydrophobicContact CZ-CG 4.25Å; F297-L301 WeakPolarHBondContact O-CG 3.15Å; F297-L301 PolarHBondContact O-N 3.07Å; N298-L301 PolarHBondContact O-N 2.96Å; L301-K303 PolarHBondContact O-N 2.91Å; L301-L304 PolarHBondContact O-N 3.5Å; L301-L304 VanDerWaalsContact O-N 3.08Å; L301-V309 HydrophobicContact CD2-CG1 3.99Å; L301-V309 HydrophobicContact CD2-CG2 4.09Å; L301-Y344 HydrophobicContact CB-CD1 3.79Å; L301-Y344 HydrophobicContact CB-CD2 4.28Å; L301-Y344 HydrophobicContact CB-CE1 4.02Å; L301-Y344 HydrophobicContact CB-CG 3.94Å; L301-Y344 HydrophobicContact CD1-CG 4.29Å; L301-Y344 HydrophobicContact CD2-CD1 4.44Å; L301-Y344 WeakPolarHBondContact O-CE1 3.44Å; L301-Y344 VanDerWaalsContact O-CZ 3.32Å; L301-Y344 PolarHBondContact O-OH 2.82Å |
| 302 | S | 87.8 | Confident | 89.3 | Confident | 72 Ų | 72 | 44.1 Ų | 44.1 | 50% | 0.503 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65 | -19.9 | -179.2 | 72.3 | 0 | 0 | 0 | 0 | 115.5 | N298 I299 L300 Y344 | N298-S302 WeakPolarHBondContact O-CB 3.43Å; N298-S302 PolarHBondContact O-N 3.39Å; N298-S302 PolarHBondContact O-OG 3.06Å; I299-S302 WeakPolarHBondContact CA-OG 3.45Å; I299-S302 PolarHBondContact O-OG 3.43Å; L300-S302 VanDerWaalsContact C-N 3.32Å; L300-S302 PolarHBondContact O-N 3.22Å; S302-Y344 VanDerWaalsContact CA-OH 3.31Å; S302-Y344 WeakPolarHBondContact CA-OH 3.46Å |
| 303 | K | 87 | Confident | 89.4 | Confident | 149 Ų | 149 | 38.9 Ų | 38.9 | 65% | 0.648 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -10.7 | 176.9 | -71.6 | 175.4 | -179.3 | 174.6 | 0 | 113.4 | I299 L300 L301 | I299-K303 HydrophobicContact CG2-CD 4.24Å; I299-K303 WeakPolarHBondContact O-CG 3.43Å; I299-K303 PolarHBondContact O-N 3.48Å; L300-K303 PolarHBondContact O-N 3.32Å; L301-K303 PolarHBondContact O-N 2.91Å |
| 304 | L | 86.1 | Confident | 89.6 | Confident | 20 Ų | 20 | 38.3 Ų | 38.3 | 11% | 0.105 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -100.7 | 137.7 | -177.6 | -68.5 | 172.4 | 0 | 0 | 0 | 110.3 | T258 L300 L301 V309 | T258-L304 HydrophobicContact CG2-CD1 3.7Å; T258-L304 HydrophobicContact CG2-CD2 3.82Å; T258-L304 HydrophobicContact CG2-CG 4.44Å; L300-L304 HydrophobicContact CD1-CD1 3.91Å; L300-L304 HydrophobicContact CD1-CG 4.34Å; L300-L304 HydrophobicContact CG-CD1 4.08Å; L300-L304 WeakPolarHBondContact O-CG 3.37Å; L300-L304 PolarHBondContact O-N 3.44Å; L301-L304 PolarHBondContact O-N 3.5Å; L301-L304 VanDerWaalsContact O-N 3.08Å; L304-V309 HydrophobicContact CB-CG2 3.8Å; L304-V309 HydrophobicContact CD1-CG2 4.46Å |
| 305 | D | 85.4 | Confident | 90 | Very high | 75 Ų | 75 | 36.7 Ų | 36.7 | 40% | 0.401 | 18% | 0.184 | S | C | . | . | trans | -66.8 | 151.2 | 167.4 | -62.3 | -42 | 0 | 0 | 0 | 110.5 | S307 Y308 V309 Q368 | D305-S307 PolarHBondContact O-N 3.43Å; D305-S307 VanDerWaalsContact O-N 3.11Å; D305-Y308 HydrophobicContact CB-CD2 4.08Å; D305-Y308 PolarHBondContact O-N 3.37Å; D305-V309 PolarHBondContact O-N 2.97Å; D305-V309 VanDerWaalsContact O-N 3.08Å; D305-Q368 PolarHBondContact OD1-NE2 3.16Å | ||
| 306 | G | 83.4 | Confident | 90.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.2 | -31 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V309 L310 L345 | G306-V309 PolarHBondContact O-N 3.36Å; G306-L310 PolarHBondContact O-N 3.48Å; G306-L310 VanDerWaalsContact O-N 3.09Å; G306-L345 WeakPolarHBondContact O-CD1 3.39Å |
| 307 | S | 86.2 | Confident | 90.7 | Very high | 6 Ų | 6 | 25.5 Ų | 25.5 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.2 | -34.2 | 176.9 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | D305 L310 C311 L374 | D305-S307 PolarHBondContact O-N 3.43Å; D305-S307 VanDerWaalsContact O-N 3.11Å; S307-L310 WeakPolarHBondContact O-CB 3.44Å; S307-L310 PolarHBondContact O-N 3.31Å; S307-C311 PolarHBondContact O-N 3.41Å; S307-C311 PolarHBondContact O-SG 3.22Å; S307-L374 VanDerWaalsContact CB-CD2 3.43Å; S307-L374 WeakPolarHBondContact OG-CD2 3.26Å |
| 308 | Y | 90.3 | Very high | 90.8 | Very high | 39 Ų | 39 | 25.4 Ų | 25.4 | 15% | 0.153 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -78.9 | -29.5 | 174.7 | -68.5 | -70.1 | 0 | 0 | 0 | 112.3 | D305 L310 C311 L312 D371 L374 | D305-Y308 HydrophobicContact CB-CD2 4.08Å; D305-Y308 PolarHBondContact O-N 3.37Å; Y308-L310 VanDerWaalsContact C-N 3.25Å; Y308-L310 PolarHBondContact O-N 2.9Å; Y308-C311 WeakPolarHBondContact O-CB 3.38Å; Y308-C311 PolarHBondContact O-N 2.92Å; Y308-L312 PolarHBondContact O-N 2.83Å; Y308-D371 PolarHBondContact OH-OD2 3.26Å; Y308-L374 HydrophobicContact CD1-CD2 4.35Å; Y308-L374 HydrophobicContact CE1-CD2 4.09Å; Y308-L374 HydrophobicContact CE2-CD2 4.48Å |
| 309 | V | 91.6 | Very high | 91 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.3 | -39.5 | 167.9 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | L301 L304 D305 G306 C311 L312 I313 Y344 | L301-V309 HydrophobicContact CD2-CG1 3.99Å; L301-V309 HydrophobicContact CD2-CG2 4.09Å; L304-V309 HydrophobicContact CB-CG2 3.8Å; L304-V309 HydrophobicContact CD1-CG2 4.46Å; D305-V309 PolarHBondContact O-N 2.97Å; D305-V309 VanDerWaalsContact O-N 3.08Å; G306-V309 PolarHBondContact O-N 3.36Å; V309-C311 VanDerWaalsContact C-N 3.34Å; V309-C311 PolarHBondContact O-N 3.49Å; V309-L312 WeakPolarHBondContact O-CB 3.24Å; V309-L312 PolarHBondContact O-N 3.01Å; V309-I313 HydrophobicContact CG1-CD1 4.11Å; V309-I313 VanDerWaalsContact O-CG1 3.31Å; V309-I313 WeakPolarHBondContact O-CG1 3.43Å; V309-I313 PolarHBondContact O-N 2.92Å; V309-Y344 HydrophobicContact CG2-CD1 4.12Å; V309-Y344 HydrophobicContact CG2-CE1 4.26Å |
| 310 | L | 91.1 | Very high | 91 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.8 | -39.9 | 175.4 | -168.1 | 63.7 | 0 | 0 | 0 | 112.4 | G306 S307 Y308 I313 A314 L345 I362 M378 V381 L385 L543 | G306-L310 PolarHBondContact O-N 3.48Å; G306-L310 VanDerWaalsContact O-N 3.09Å; S307-L310 WeakPolarHBondContact O-CB 3.44Å; S307-L310 PolarHBondContact O-N 3.31Å; Y308-L310 VanDerWaalsContact C-N 3.25Å; Y308-L310 PolarHBondContact O-N 2.9Å; L310-I313 PolarHBondContact O-N 3.14Å; L310-A314 WeakPolarHBondContact O-CB 3.5Å; L310-A314 PolarHBondContact O-N 3.46Å; L310-L345 HydrophobicContact CD1-CD2 3.89Å; L310-I362 HydrophobicContact CD2-CB 4.39Å; L310-I362 HydrophobicContact CD2-CD1 3.81Å; L310-I362 HydrophobicContact CD2-CG2 4.33Å; L310-M378 HydrophobicContact CD2-SD 4.24Å; L310-V381 HydrophobicContact CD2-CG1 4.25Å; L310-V381 HydrophobicContact CG-CG1 3.99Å; L310-L385 HydrophobicContact CD1-CD1 3.59Å; L310-L385 HydrophobicContact CD1-CD2 4.01Å; L310-L385 HydrophobicContact CD1-CG 4.42Å; L310-L385 HydrophobicContact CD2-CD1 4.14Å; L310-L385 HydrophobicContact CG-CD1 3.9Å; L310-L543 HydrophobicContact CD1-CD2 4.28Å |
| 311 | C | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 175.4 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | T258 S307 Y308 V309 A314 N315 | T258-C311 WeakPolarHBondContact O-CB 3.35Å; S307-C311 PolarHBondContact O-N 3.41Å; S307-C311 PolarHBondContact O-SG 3.22Å; Y308-C311 WeakPolarHBondContact O-CB 3.38Å; Y308-C311 PolarHBondContact O-N 2.92Å; V309-C311 VanDerWaalsContact C-N 3.34Å; V309-C311 PolarHBondContact O-N 3.49Å; C311-A314 PolarHBondContact O-N 2.87Å; C311-N315 WeakPolarHBondContact O-CB 3.49Å; C311-N315 PolarHBondContact O-N 3.38Å; C311-N315 PolarHBondContact O-ND2 2.89Å |
| 312 | L | 95.4 | Very high | 91 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.5 | -49.6 | 173.9 | 174.2 | 61.2 | 0 | 0 | 0 | 111.1 | T253 L257 T258 Y308 V309 A314 N315 L316 | T253-L312 HydrophobicContact CG2-CD1 3.51Å; T253-L312 HydrophobicContact CG2-CD2 4.23Å; L257-L312 HydrophobicContact CB-CD1 3.69Å; L257-L312 WeakPolarHBondContact O-CA 3.5Å; T258-L312 HydrophobicContact CG2-CB 4.34Å; Y308-L312 PolarHBondContact O-N 2.83Å; V309-L312 WeakPolarHBondContact O-CB 3.24Å; V309-L312 PolarHBondContact O-N 3.01Å; L312-A314 PolarHBondContact O-N 2.92Å; L312-N315 PolarHBondContact O-N 3.04Å; L312-L316 HydrophobicContact CD1-CD1 4Å; L312-L316 HydrophobicContact CD1-CG 4.06Å; L312-L316 HydrophobicContact CG-CD1 4.07Å; L312-L316 WeakPolarHBondContact O-CB 3.46Å; L312-L316 VanDerWaalsContact O-CG 3.29Å; L312-L316 WeakPolarHBondContact O-CG 3.24Å; L312-L316 PolarHBondContact O-N 3.38Å |
| 313 | I | 95 | Very high | 91 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 178.4 | -64.3 | 163.8 | 0 | 0 | 0 | 110.8 | V309 L310 N315 L316 I317 L338 M342 L345 L385 | V309-I313 HydrophobicContact CG1-CD1 4.11Å; V309-I313 VanDerWaalsContact O-CG1 3.31Å; V309-I313 WeakPolarHBondContact O-CG1 3.43Å; V309-I313 PolarHBondContact O-N 2.92Å; L310-I313 PolarHBondContact O-N 3.14Å; I313-N315 PolarHBondContact O-N 2.89Å; I313-L316 PolarHBondContact O-N 3.36Å; I313-I317 HydrophobicContact CG2-CD1 3.52Å; I313-I317 HydrophobicContact CG2-CG1 4.23Å; I313-I317 WeakPolarHBondContact O-CD1 3.24Å; I313-I317 VanDerWaalsContact O-CG1 3.26Å; I313-I317 WeakPolarHBondContact O-CG1 3.27Å; I313-I317 PolarHBondContact O-N 3.1Å; I313-L338 HydrophobicContact CB-CD2 4.27Å; I313-L338 HydrophobicContact CG1-CD2 4.24Å; I313-L338 HydrophobicContact CG2-CD2 3.79Å; I313-M342 HydrophobicContact CB-CE 4.41Å; I313-M342 HydrophobicContact CD1-CE 3.87Å; I313-M342 HydrophobicContact CD1-CG 4.13Å; I313-M342 HydrophobicContact CD1-SD 3.83Å; I313-M342 HydrophobicContact CG2-CE 3.42Å; I313-M342 VanDerWaalsContact CG2-CE 3.42Å; I313-L345 HydrophobicContact CD1-CD2 4.49Å; I313-L385 HydrophobicContact CG2-CD2 4.11Å |
| 314 | A | 94.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -58.1 | -44.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L310 C311 L312 I317 Q318 V381 Q384 L385 | L310-A314 WeakPolarHBondContact O-CB 3.5Å; L310-A314 PolarHBondContact O-N 3.46Å; C311-A314 PolarHBondContact O-N 2.87Å; L312-A314 PolarHBondContact O-N 2.92Å; A314-I317 PolarHBondContact O-N 3.19Å; A314-Q318 PolarHBondContact O-N 2.64Å; A314-Q318 VanDerWaalsContact O-N 3.14Å; A314-V381 HydrophobicContact CB-CG1 3.83Å; A314-Q384 HydrophobicContact CB-CB 3.78Å; A314-L385 HydrophobicContact CB-CD2 4.13Å; A314-L385 HydrophobicContact CB-CG 4.19Å |
| 315 | N | 96.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -67.2 | -40.2 | 176.6 | -76.6 | -37 | 0 | 0 | 0 | 112.3 | L257 V259 F262 I263 C311 L312 I313 Q318 L319 Q384 | L257-N315 PolarHBondContact O-ND2 2.93Å; V259-N315 PolarHBondContact O-ND2 3.28Å; F262-N315 PolarHBondContact N-OD1 3.03Å; I263-N315 HydrophobicContact CB-CB 4.48Å; I263-N315 HydrophobicContact CG1-CB 3.79Å; I263-N315 PolarHBondContact N-OD1 2.86Å; I263-N315 VanDerWaalsContact N-OD1 3.13Å; C311-N315 WeakPolarHBondContact O-CB 3.49Å; C311-N315 PolarHBondContact O-N 3.38Å; C311-N315 PolarHBondContact O-ND2 2.89Å; L312-N315 PolarHBondContact O-N 3.04Å; I313-N315 PolarHBondContact O-N 2.89Å; N315-Q318 PolarHBondContact O-N 3.41Å; N315-L319 WeakPolarHBondContact O-CB 3.35Å; N315-L319 PolarHBondContact O-N 3.12Å; N315-Q384 PolarHBondContact OD1-NE2 2.84Å |
| 316 | L | 95.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 175.5 | -71.6 | 176.3 | 0 | 0 | 0 | 112.2 | L257 I286 I287 L290 L312 I313 L319 S320 L338 | L257-L316 HydrophobicContact CD1-CD2 4.31Å; I286-L316 HydrophobicContact CG2-CD2 3.85Å; I287-L316 HydrophobicContact CD1-CD2 4.18Å; L290-L316 HydrophobicContact CD1-CD1 4.46Å; L312-L316 HydrophobicContact CD1-CD1 4Å; L312-L316 HydrophobicContact CD1-CG 4.06Å; L312-L316 HydrophobicContact CG-CD1 4.07Å; L312-L316 WeakPolarHBondContact O-CB 3.46Å; L312-L316 VanDerWaalsContact O-CG 3.29Å; L312-L316 WeakPolarHBondContact O-CG 3.24Å; L312-L316 PolarHBondContact O-N 3.38Å; I313-L316 PolarHBondContact O-N 3.36Å; L316-L319 PolarHBondContact O-N 2.85Å; L316-S320 WeakPolarHBondContact O-CB 3.47Å; L316-S320 PolarHBondContact O-N 3.07Å; L316-S320 PolarHBondContact O-OG 2.97Å; L316-L338 HydrophobicContact CB-CD2 4.12Å; L316-L338 HydrophobicContact CD1-CD2 4.04Å |
| 317 | I | 95 | Very high | 90.5 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -59.2 | -50.9 | 175.8 | -70.9 | 158.6 | 0 | 0 | 0 | 110 | I313 A314 S320 L321 L338 L385 L387 L388 M393 | I313-I317 HydrophobicContact CG2-CD1 3.52Å; I313-I317 HydrophobicContact CG2-CG1 4.23Å; I313-I317 WeakPolarHBondContact O-CD1 3.24Å; I313-I317 VanDerWaalsContact O-CG1 3.26Å; I313-I317 WeakPolarHBondContact O-CG1 3.27Å; I313-I317 PolarHBondContact O-N 3.1Å; A314-I317 PolarHBondContact O-N 3.19Å; I317-S320 PolarHBondContact O-N 2.79Å; I317-S320 PolarHBondContact O-OG 2.97Å; I317-L321 PolarHBondContact O-N 3.24Å; I317-L338 HydrophobicContact CG1-CD1 3.9Å; I317-L385 HydrophobicContact CD1-CD2 3.94Å; I317-L387 HydrophobicContact CG2-CB 3.98Å; I317-L388 HydrophobicContact CD1-CB 3.96Å; I317-L388 HydrophobicContact CD1-CD2 4.08Å; I317-L388 HydrophobicContact CD1-CG 4.45Å; I317-L388 HydrophobicContact CG1-CB 4.4Å; I317-L388 HydrophobicContact CG1-CD1 4.44Å; I317-L388 HydrophobicContact CG2-CB 4.2Å; I317-M393 HydrophobicContact CG2-CE 4Å |
| 318 | Q | 93.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -66.7 | -40.6 | -179.6 | -170.3 | 172.9 | 5.7 | 0 | 0 | 112.1 | I263 L264 A314 N315 S320 L321 L322 L387 | I263-Q318 HydrophobicContact CB-CB 4.49Å; I263-Q318 HydrophobicContact CG2-CB 4.01Å; I263-Q318 HydrophobicContact CG2-CG 3.85Å; L264-Q318 VanDerWaalsContact CB-OE1 3.25Å; L264-Q318 VanDerWaalsContact N-OE1 3.12Å; A314-Q318 PolarHBondContact O-N 2.64Å; A314-Q318 VanDerWaalsContact O-N 3.14Å; N315-Q318 PolarHBondContact O-N 3.41Å; Q318-S320 VanDerWaalsContact C-N 3.28Å; Q318-S320 PolarHBondContact O-N 3.05Å; Q318-L321 PolarHBondContact O-N 2.82Å; Q318-L322 PolarHBondContact O-N 2.9Å; Q318-L387 HydrophobicContact CB-CD1 4.23Å; Q318-L387 HydrophobicContact CG-CD1 4.12Å |
| 319 | L | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.9 | -41.8 | 176.9 | -174.8 | 65.1 | 0 | 0 | 0 | 111.4 | I263 I277 L282 C283 I286 N315 L316 L321 L322 E323 | I263-L319 HydrophobicContact CD1-CD1 4.26Å; I277-L319 HydrophobicContact CD1-CD1 4.25Å; I277-L319 HydrophobicContact CG1-CD1 4.47Å; I277-L319 HydrophobicContact CG2-CD1 3.6Å; L282-L319 HydrophobicContact CD2-CD1 4.28Å; L282-L319 HydrophobicContact CG-CD2 4.38Å; C283-L319 HydrophobicContact CB-CD2 4.1Å; C283-L319 HydrophobicContact CB-CG 3.82Å; I286-L319 HydrophobicContact CD1-CD2 3.66Å; N315-L319 WeakPolarHBondContact O-CB 3.35Å; N315-L319 PolarHBondContact O-N 3.12Å; L316-L319 PolarHBondContact O-N 2.85Å; L319-L321 PolarHBondContact O-N 3.11Å; L319-L322 WeakPolarHBondContact O-CB 3.19Å; L319-L322 PolarHBondContact O-N 3.02Å; L319-L322 VanDerWaalsContact O-N 3.13Å; L319-E323 PolarHBondContact O-N 2.88Å |
| 320 | S | 91.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.1 | -25 | 176.9 | 74.1 | 0 | 0 | 0 | 0 | 114.3 | L316 I317 Q318 E323 F334 M393 | L316-S320 WeakPolarHBondContact O-CB 3.47Å; L316-S320 PolarHBondContact O-N 3.07Å; L316-S320 PolarHBondContact O-OG 2.97Å; I317-S320 PolarHBondContact O-N 2.79Å; I317-S320 PolarHBondContact O-OG 2.97Å; Q318-S320 VanDerWaalsContact C-N 3.28Å; Q318-S320 PolarHBondContact O-N 3.05Å; S320-E323 CarbonylContact O-C 3.58Å; S320-F334 WeakPolarHBondContact OG-CZ 3.24Å; S320-M393 WeakPolarHBondContact OG-CE 3.37Å |
| 321 | L | 90.2 | Very high | 89.8 | Confident | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -82 | -19.3 | 175.3 | -72.2 | 174.5 | 0 | 0 | 0 | 113.5 | I317 Q318 L319 T324 L387 M393 L396 L454 | I317-L321 PolarHBondContact O-N 3.24Å; Q318-L321 PolarHBondContact O-N 2.82Å; L319-L321 PolarHBondContact O-N 3.11Å; L321-T324 WeakPolarHBondContact O-CG2 3.42Å; L321-L387 HydrophobicContact CD1-CB 3.67Å; L321-L387 HydrophobicContact CD1-CD1 4.03Å; L321-L387 HydrophobicContact CD1-CD2 4.41Å; L321-L387 HydrophobicContact CD1-CG 4.26Å; L321-M393 HydrophobicContact CD1-CE 3.92Å; L321-M393 HydrophobicContact CD2-CB 4.31Å; L321-M393 HydrophobicContact CD2-CE 3.56Å; L321-M393 HydrophobicContact CD2-SD 3.96Å; L321-M393 HydrophobicContact CG-CE 3.48Å; L321-M393 VanDerWaalsContact CG-CE 3.48Å; L321-L396 HydrophobicContact CD2-CD1 3.97Å; L321-L454 HydrophobicContact CD1-CD2 4.07Å |
| 322 | L | 88.2 | Confident | 89.7 | Confident | 4 Ų | 4 | 15.9 Ų | 15.9 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -74.8 | -36.7 | 171.2 | -58.7 | 178.3 | 0 | 0 | 0 | 110.6 | I263 Y274 I277 Q318 L319 P455 | I263-L322 HydrophobicContact CG2-CD1 3.96Å; Y274-L322 HydrophobicContact CD2-CB 4.36Å; Y274-L322 HydrophobicContact CD2-CD2 4.15Å; Y274-L322 HydrophobicContact CE2-CB 4.27Å; Y274-L322 HydrophobicContact CE2-CD2 4.4Å; I277-L322 HydrophobicContact CD1-CD1 3.94Å; I277-L322 HydrophobicContact CG2-CB 4.41Å; I277-L322 HydrophobicContact CG2-CD1 4.48Å; Q318-L322 PolarHBondContact O-N 2.9Å; L319-L322 WeakPolarHBondContact O-CB 3.19Å; L319-L322 PolarHBondContact O-N 3.02Å; L319-L322 VanDerWaalsContact O-N 3.13Å; L322-P455 HydrophobicContact CD2-CG 4.49Å |
| 323 | E | 87.1 | Confident | 89.6 | Confident | 7 Ų | 7 | 17.9 Ų | 17.9 | 3% | 0.033 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -108.3 | 62.4 | -179.7 | -69.5 | 177.1 | -145 | 0 | 0 | 112.6 | I277 V278 R281 L282 C283 L319 S320 D325 I326 L327 | I277-E323 HydrophobicContact CG2-CG 4.05Å; I277-E323 WeakPolarHBondContact CG2-OE1 3.21Å; V278-E323 HydrophobicContact CG2-CG 4.21Å; R281-E323 WeakPolarHBondContact CA-OE2 3.48Å; L282-E323 PolarHBondContact N-OE1 3.11Å; C283-E323 HydrophobicContact CB-CB 4.13Å; C283-E323 VanDerWaalsContact CB-CD 3.44Å; C283-E323 HydrophobicContact CB-CG 4.27Å; C283-E323 WeakPolarHBondContact CB-OE2 3.32Å; C283-E323 PolarHBondContact N-OE1 3.12Å; C283-E323 PolarHBondContact N-OE2 3.08Å; L319-E323 PolarHBondContact O-N 2.88Å; S320-E323 CarbonylContact O-C 3.58Å; E323-D325 VanDerWaalsContact C-N 3.29Å; E323-D325 PolarHBondContact O-N 3.09Å; E323-I326 HydrophobicContact CB-CB 4.05Å; E323-I326 HydrophobicContact CB-CD1 4.05Å; E323-I326 HydrophobicContact CG-CD1 4.18Å; E323-I326 WeakPolarHBondContact O-CB 3.44Å; E323-I326 PolarHBondContact O-N 3.49Å; E323-I326 VanDerWaalsContact O-N 3.09Å; E323-I326 WeakPolarHBondContact OE2-CD1 3.31Å; E323-L327 PolarHBondContact O-N 2.7Å |
| 324 | T | 84.9 | Confident | 89.6 | Confident | 16 Ų | 16 | 18 Ų | 18 | 10% | 0.098 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.6 | -28 | -171 | 61.5 | 0 | 0 | 0 | 0 | 115.4 | L321 I326 A328 L396 R476 | L321-T324 WeakPolarHBondContact O-CG2 3.42Å; T324-I326 VanDerWaalsContact C-N 3.3Å; T324-A328 PolarHBondContact O-N 3.5Å; T324-L396 HydrophobicContact CG2-CD1 3.86Å; T324-R476 VanDerWaalsContact CB-NH1 3.32Å; T324-R476 PolarHBondContact OG1-NH1 2.85Å; T324-R476 PolarHBondContact OG1-NH2 2.99Å; T324-R476 VanDerWaalsContact OG1-NH2 3.08Å |
| 325 | D | 82.3 | Confident | 89.5 | Confident | 109 Ų | 109 | 18 Ų | 18 | 58% | 0.583 | 10% | 0.103 | S | C | * | . | H | α-helix | trans | -71.1 | -31.8 | 178.4 | -59 | -33.2 | 0 | 0 | 0 | 111.3 | E323 A328 S329 R476 | E323-D325 VanDerWaalsContact C-N 3.29Å; E323-D325 PolarHBondContact O-N 3.09Å; D325-A328 WeakPolarHBondContact O-CB 3.43Å; D325-A328 PolarHBondContact O-N 3.12Å; D325-S329 PolarHBondContact O-N 3.37Å; D325-R476 IonicContact OD1-CZ 3.36Å; D325-R476 IonicContact OD1-NE 3.36Å; D325-R476 PolarHBondContact OD1-NE 3.29Å; D325-R476 IonicContact OD1-NH2 3.23Å; D325-R476 PolarHBondContact OD1-NH2 3.36Å |
| 326 | I | 80.3 | Confident | 89.4 | Confident | 20 Ų | 20 | 18.1 Ų | 18.1 | 10% | 0.103 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -77.8 | -36.8 | 177.8 | -73.4 | 167.2 | 0 | 0 | 0 | 110.9 | R281 C283 S284 E323 T324 A328 S329 H330 | R281-I326 HydrophobicContact CB-CD1 3.61Å; R281-I326 HydrophobicContact CG-CD1 3.63Å; C283-I326 HydrophobicContact CB-CG2 4.47Å; S284-I326 VanDerWaalsContact CB-CG2 3.44Å; E323-I326 HydrophobicContact CB-CB 4.05Å; E323-I326 HydrophobicContact CB-CD1 4.05Å; E323-I326 HydrophobicContact CG-CD1 4.18Å; E323-I326 WeakPolarHBondContact O-CB 3.44Å; E323-I326 PolarHBondContact O-N 3.49Å; E323-I326 VanDerWaalsContact O-N 3.09Å; E323-I326 WeakPolarHBondContact OE2-CD1 3.31Å; T324-I326 VanDerWaalsContact C-N 3.3Å; I326-A328 PolarHBondContact O-N 3.23Å; I326-S329 WeakPolarHBondContact CA-OG 3.42Å; I326-S329 PolarHBondContact O-N 3.2Å; I326-S329 PolarHBondContact O-OG 3.47Å; I326-H330 PolarHBondContact O-N 3.4Å |
| 327 | L | 84.1 | Confident | 89.3 | Confident | 7 Ų | 7 | 18.1 Ų | 18.1 | 4% | 0.037 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.5 | -38.6 | 169.7 | 178.7 | 59.6 | 0 | 0 | 0 | 110.8 | E323 C331 F334 M393 L396 L397 | E323-L327 PolarHBondContact O-N 2.7Å; L327-C331 WeakPolarHBondContact O-CA 3.31Å; L327-C331 WeakPolarHBondContact O-CB 3.36Å; L327-C331 PolarHBondContact O-N 2.85Å; L327-F334 HydrophobicContact CD1-CB 4.19Å; L327-F334 HydrophobicContact CD1-CD1 3.47Å; L327-F334 VanDerWaalsContact CD1-CD1 3.47Å; L327-F334 HydrophobicContact CD1-CD2 4.27Å; L327-F334 HydrophobicContact CD1-CE1 3.8Å; L327-F334 HydrophobicContact CD1-CG 3.72Å; L327-F334 HydrophobicContact CD1-CZ 4.32Å; L327-M393 HydrophobicContact CD2-CE 4.36Å; L327-M393 HydrophobicContact CD2-SD 3.75Å; L327-L396 HydrophobicContact CD2-CB 4.31Å; L327-L396 HydrophobicContact CD2-CD1 4.36Å; L327-L397 HydrophobicContact CD1-CD2 3.99Å; L327-L397 HydrophobicContact CD2-CD2 4.36Å; L327-L397 HydrophobicContact CG-CD2 4.41Å |
| 328 | A | 82.8 | Confident | 89.3 | Confident | 19 Ų | 19 | 18.1 Ų | 18.1 | 16% | 0.157 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T324 D325 I326 R476 | T324-A328 PolarHBondContact O-N 3.5Å; D325-A328 WeakPolarHBondContact O-CB 3.43Å; D325-A328 PolarHBondContact O-N 3.12Å; I326-A328 PolarHBondContact O-N 3.23Å; A328-R476 HydrophobicContact CB-CB 3.91Å; A328-R476 HydrophobicContact CB-CG 4.12Å |
| 329 | S | 84.7 | Confident | 89.2 | Confident | 75 Ų | 75 | 18.1 Ų | 18.1 | 52% | 0.524 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -73.6 | -38.3 | -178.9 | 68.6 | 0 | 0 | 0 | 0 | 114.1 | D325 I326 | D325-S329 PolarHBondContact O-N 3.37Å; I326-S329 WeakPolarHBondContact CA-OG 3.42Å; I326-S329 PolarHBondContact O-N 3.2Å; I326-S329 PolarHBondContact O-OG 3.47Å |
| 330 | H | 88 | Confident | 89.1 | Confident | 48 Ų | 48 | 19.3 Ų | 19.3 | 22% | 0.222 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 30.8 | -177 | -58.5 | -65.2 | 0 | 0 | 0 | 113 | S284 M288 I326 T332 E333 F334 | S284-H330 PolarHBondContact OG-CD2 3.27Å; S284-H330 PolarHBondContact OG-NE2 2.82Å; M288-H330 HydrophobicContact SD-CB 4.46Å; M288-H330 PolarHBondContact SD-ND1 3.4Å; I326-H330 PolarHBondContact O-N 3.4Å; H330-T332 VanDerWaalsContact C-N 3.27Å; H330-T332 PolarHBondContact O-N 2.97Å; H330-E333 VanDerWaalsContact C-OE2 3.24Å; H330-E333 VanDerWaalsContact CA-OE2 3.26Å; H330-E333 WeakPolarHBondContact CA-OE2 3.37Å; H330-E333 PolarHBondContact O-N 3.11Å; H330-F334 WeakPolarHBondContact O-CB 3.49Å; H330-F334 PolarHBondContact O-N 3.25Å |
| 331 | C | 89.3 | Confident | 89.1 | Confident | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.02 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.5 | -38.5 | -175.6 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | L327 C335 L397 R478 | L327-C331 WeakPolarHBondContact O-CA 3.31Å; L327-C331 WeakPolarHBondContact O-CB 3.36Å; L327-C331 PolarHBondContact O-N 2.85Å; C331-C335 WeakPolarHBondContact O-CB 3.27Å; C331-C335 PolarHBondContact O-N 3.13Å; C331-C335 PolarHBondContact O-SG 2.99Å; C331-L397 VanDerWaalsContact SG-CD2 3.56Å; C331-R478 PolarHBondContact SG-NH1 3.24Å |
| 332 | T | 91.2 | Very high | 89.1 | Confident | 22 Ų | 22 | 19.2 Ų | 19.2 | 14% | 0.135 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.6 | -47.8 | -176.2 | -53 | 0 | 0 | 0 | 0 | 110 | H330 C335 I336 K527 A531 | H330-T332 VanDerWaalsContact C-N 3.27Å; H330-T332 PolarHBondContact O-N 2.97Å; T332-C335 PolarHBondContact O-N 3.44Å; T332-I336 HydrophobicContact CG2-CD1 3.92Å; T332-I336 VanDerWaalsContact O-CG1 3.25Å; T332-I336 WeakPolarHBondContact O-CG1 3.15Å; T332-I336 PolarHBondContact O-N 3.25Å; T332-K527 HydrophobicContact CG2-CD 4.18Å; T332-K527 HydrophobicContact CG2-CG 4.01Å; T332-A531 HydrophobicContact CG2-CB 3.96Å |
| 333 | E | 93.4 | Very high | 89.1 | Confident | 43 Ų | 43 | 21.1 Ų | 21.1 | 20% | 0.201 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 178.3 | -62.1 | 77.9 | -172.1 | 0 | 0 | 110.2 | I287 M288 Y291 H330 C335 I336 V337 | I287-E333 HydrophobicContact CG2-CB 3.91Å; M288-E333 HydrophobicContact SD-CB 4.36Å; M288-E333 HydrophobicContact SD-CG 3.95Å; Y291-E333 HydrophobicContact CD1-CB 4.38Å; Y291-E333 HydrophobicContact CD1-CG 3.76Å; Y291-E333 HydrophobicContact CD2-CB 4.01Å; Y291-E333 HydrophobicContact CD2-CG 4.04Å; Y291-E333 HydrophobicContact CE1-CG 3.97Å; Y291-E333 HydrophobicContact CE2-CG 4.25Å; Y291-E333 HydrophobicContact CG-CB 3.91Å; Y291-E333 HydrophobicContact CG-CG 3.79Å; H330-E333 VanDerWaalsContact C-OE2 3.24Å; H330-E333 VanDerWaalsContact CA-OE2 3.26Å; H330-E333 WeakPolarHBondContact CA-OE2 3.37Å; H330-E333 PolarHBondContact O-N 3.11Å; E333-C335 PolarHBondContact O-N 2.76Å; E333-I336 PolarHBondContact O-N 3.49Å; E333-V337 WeakPolarHBondContact O-CB 3.38Å; E333-V337 VanDerWaalsContact O-CG2 3.3Å; E333-V337 WeakPolarHBondContact O-CG2 3.36Å; E333-V337 PolarHBondContact O-N 3.26Å |
| 334 | F | 94.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 1% | 0.013 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.5 | -50 | 174.3 | 171.5 | -99.6 | 0 | 0 | 0 | 112.1 | I287 S320 L327 H330 I336 V337 L338 L397 L535 | I287-F334 HydrophobicContact CD1-CD2 3.79Å; I287-F334 HydrophobicContact CG1-CD2 4.15Å; I287-F334 HydrophobicContact CG2-CB 4.09Å; S320-F334 WeakPolarHBondContact OG-CZ 3.24Å; L327-F334 HydrophobicContact CD1-CB 4.19Å; L327-F334 HydrophobicContact CD1-CD1 3.47Å; L327-F334 VanDerWaalsContact CD1-CD1 3.47Å; L327-F334 HydrophobicContact CD1-CD2 4.27Å; L327-F334 HydrophobicContact CD1-CE1 3.8Å; L327-F334 HydrophobicContact CD1-CG 3.72Å; L327-F334 HydrophobicContact CD1-CZ 4.32Å; H330-F334 WeakPolarHBondContact O-CB 3.49Å; H330-F334 PolarHBondContact O-N 3.25Å; F334-I336 VanDerWaalsContact C-N 3.34Å; F334-I336 PolarHBondContact O-N 2.85Å; F334-V337 PolarHBondContact O-N 3.14Å; F334-L338 HydrophobicContact CD1-CD1 4.36Å; F334-L338 HydrophobicContact CD2-CD1 4.37Å; F334-L338 HydrophobicContact CE1-CD1 3.64Å; F334-L338 HydrophobicContact CE2-CD1 3.65Å; F334-L338 HydrophobicContact CE2-CG 4.13Å; F334-L338 HydrophobicContact CZ-CD1 3.24Å; F334-L338 HydrophobicContact CZ-CG 4.18Å; F334-L338 PolarHBondContact O-N 2.85Å; F334-L397 HydrophobicContact CD1-CD2 4.19Å; F334-L397 HydrophobicContact CE1-CD2 4.12Å; F334-L535 HydrophobicContact CE1-CD2 4.32Å |
| 335 | C | 94 | Very high | 89.1 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 179.3 | -72.5 | 0 | 0 | 0 | 0 | 112.3 | C331 T332 E333 S339 A531 L535 | C331-C335 WeakPolarHBondContact O-CB 3.27Å; C331-C335 PolarHBondContact O-N 3.13Å; C331-C335 PolarHBondContact O-SG 2.99Å; T332-C335 PolarHBondContact O-N 3.44Å; E333-C335 PolarHBondContact O-N 2.76Å; C335-S339 VanDerWaalsContact O-CB 3.24Å; C335-S339 WeakPolarHBondContact O-CB 3.07Å; C335-S339 PolarHBondContact O-N 2.66Å; C335-S339 PolarHBondContact O-OG 3.13Å; C335-A531 HydrophobicContact CB-CB 3.86Å; C335-A531 WeakPolarHBondContact CB-O 3.32Å; C335-L535 HydrophobicContact CB-CB 4.23Å; C335-L535 HydrophobicContact CB-CD2 4.39Å |
| 336 | I | 93 | Very high | 89 | Confident | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.2 | -47.4 | 178.1 | -70 | 166.8 | 0 | 0 | 0 | 110.7 | Y291 T332 E333 F334 L338 S339 K340 A531 P591 | Y291-I336 HydrophobicContact CD2-CB 4.37Å; Y291-I336 HydrophobicContact CD2-CG2 4.17Å; Y291-I336 HydrophobicContact CE2-CB 4.31Å; Y291-I336 HydrophobicContact CE2-CD1 3.77Å; Y291-I336 HydrophobicContact CE2-CG2 4.09Å; T332-I336 HydrophobicContact CG2-CD1 3.92Å; T332-I336 VanDerWaalsContact O-CG1 3.25Å; T332-I336 WeakPolarHBondContact O-CG1 3.15Å; T332-I336 PolarHBondContact O-N 3.25Å; E333-I336 PolarHBondContact O-N 3.49Å; F334-I336 VanDerWaalsContact C-N 3.34Å; F334-I336 PolarHBondContact O-N 2.85Å; I336-L338 PolarHBondContact O-N 3.31Å; I336-S339 PolarHBondContact O-N 3.23Å; I336-K340 HydrophobicContact CG2-CD 4.19Å; I336-K340 HydrophobicContact CG2-CG 4.47Å; I336-K340 WeakPolarHBondContact O-CG 3.45Å; I336-K340 PolarHBondContact O-N 2.71Å; I336-A531 HydrophobicContact CG1-CB 4.43Å; I336-P591 HydrophobicContact CD1-CG 3.88Å; I336-P591 HydrophobicContact CG1-CG 3.98Å |
| 337 | V | 94 | Very high | 89 | Confident | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.8 | -49.7 | 178.6 | 169.1 | 0 | 0 | 0 | 0 | 110.4 | I287 L290 F297 E333 F334 S339 K340 S341 | I287-V337 HydrophobicContact CD1-CG1 4.33Å; L290-V337 HydrophobicContact CB-CG1 4.06Å; L290-V337 HydrophobicContact CB-CG2 4.1Å; L290-V337 HydrophobicContact CD1-CG1 4.01Å; F297-V337 HydrophobicContact CE1-CG1 4.08Å; F297-V337 HydrophobicContact CE2-CG1 4.42Å; F297-V337 HydrophobicContact CZ-CG1 3.73Å; E333-V337 WeakPolarHBondContact O-CB 3.38Å; E333-V337 VanDerWaalsContact O-CG2 3.3Å; E333-V337 WeakPolarHBondContact O-CG2 3.36Å; E333-V337 PolarHBondContact O-N 3.26Å; F334-V337 PolarHBondContact O-N 3.14Å; V337-S339 PolarHBondContact O-N 3.26Å; V337-K340 PolarHBondContact O-N 3.33Å; V337-S341 PolarHBondContact O-N 2.75Å; V337-S341 PolarHBondContact O-OG 2.97Å |
| 338 | L | 94.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.4 | -38.3 | 177.4 | -74.8 | -169.5 | 0 | 0 | 0 | 112.9 | I313 L316 I317 F334 I336 K340 S341 M342 L535 | I313-L338 HydrophobicContact CB-CD2 4.27Å; I313-L338 HydrophobicContact CG1-CD2 4.24Å; I313-L338 HydrophobicContact CG2-CD2 3.79Å; L316-L338 HydrophobicContact CB-CD2 4.12Å; L316-L338 HydrophobicContact CD1-CD2 4.04Å; I317-L338 HydrophobicContact CG1-CD1 3.9Å; F334-L338 HydrophobicContact CD1-CD1 4.36Å; F334-L338 HydrophobicContact CD2-CD1 4.37Å; F334-L338 HydrophobicContact CE1-CD1 3.64Å; F334-L338 HydrophobicContact CE2-CD1 3.65Å; F334-L338 HydrophobicContact CE2-CG 4.13Å; F334-L338 HydrophobicContact CZ-CD1 3.24Å; F334-L338 HydrophobicContact CZ-CG 4.18Å; F334-L338 PolarHBondContact O-N 2.85Å; I336-L338 PolarHBondContact O-N 3.31Å; L338-K340 VanDerWaalsContact C-N 3.35Å; L338-S341 PolarHBondContact O-N 3.28Å; L338-M342 WeakPolarHBondContact O-CB 3.34Å; L338-M342 VanDerWaalsContact O-CG 3.27Å; L338-M342 WeakPolarHBondContact O-CG 3.24Å; L338-M342 PolarHBondContact O-N 2.94Å; L338-L535 HydrophobicContact CB-CD1 3.49Å; L338-L535 VanDerWaalsContact CB-CD1 3.49Å; L338-L535 HydrophobicContact CD1-CD1 4.17Å; L338-L535 HydrophobicContact CD1-CD2 4.3Å |
| 339 | S | 92.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 177.1 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | C335 I336 V337 M342 H343 L535 | C335-S339 VanDerWaalsContact O-CB 3.24Å; C335-S339 WeakPolarHBondContact O-CB 3.07Å; C335-S339 PolarHBondContact O-N 2.66Å; C335-S339 PolarHBondContact O-OG 3.13Å; I336-S339 PolarHBondContact O-N 3.23Å; V337-S339 PolarHBondContact O-N 3.26Å; S339-M342 PolarHBondContact O-N 2.88Å; S339-H343 WeakPolarHBondContact O-CB 3.38Å; S339-H343 PolarHBondContact O-N 3.36Å; S339-L535 WeakPolarHBondContact OG-CA 3.49Å; S339-L535 PolarHBondContact OG-N 3.41Å |
| 340 | K | 91.1 | Very high | 87.2 | Confident | 26 Ų | 26 | 17.7 Ų | 17.7 | 11% | 0.113 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 173.9 | -73.9 | -178.9 | 175.7 | 178.4 | 0 | 111.4 | S294 F297 I336 V337 L338 H343 Y344 L589 | S294-K340 PolarHBondContact OG-NZ 2.85Å; F297-K340 HydrophobicContact CE1-CB 3.91Å; F297-K340 HydrophobicContact CE1-CD 4.4Å; I336-K340 HydrophobicContact CG2-CD 4.19Å; I336-K340 HydrophobicContact CG2-CG 4.47Å; I336-K340 WeakPolarHBondContact O-CG 3.45Å; I336-K340 PolarHBondContact O-N 2.71Å; V337-K340 PolarHBondContact O-N 3.33Å; L338-K340 VanDerWaalsContact C-N 3.35Å; K340-H343 PolarHBondContact O-N 3.13Å; K340-Y344 WeakPolarHBondContact O-CB 3.5Å; K340-Y344 PolarHBondContact O-N 2.73Å; K340-L589 HydrophobicContact CG-CD2 3.9Å; K340-L589 HydrophobicContact CG-CG 4.01Å |
| 341 | S | 91.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62 | -44.3 | 173.9 | -58.1 | 0 | 0 | 0 | 0 | 112.7 | F297 V337 L338 Y344 L345 | F297-S341 VanDerWaalsContact CZ-OG 3.28Å; F297-S341 WeakPolarHBondContact CZ-OG 3.37Å; V337-S341 PolarHBondContact O-N 2.75Å; V337-S341 PolarHBondContact O-OG 2.97Å; L338-S341 PolarHBondContact O-N 3.28Å; S341-Y344 PolarHBondContact O-N 3.46Å; S341-L345 WeakPolarHBondContact O-CB 3.37Å; S341-L345 PolarHBondContact O-N 3.11Å |
| 342 | M | 90.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.6 | -37.9 | 178.3 | -74.6 | -69.6 | -178.9 | 0 | 0 | 112 | I313 L338 S339 L345 G346 F538 T539 S542 L543 | I313-M342 HydrophobicContact CB-CE 4.41Å; I313-M342 HydrophobicContact CD1-CE 3.87Å; I313-M342 HydrophobicContact CD1-CG 4.13Å; I313-M342 HydrophobicContact CD1-SD 3.83Å; I313-M342 HydrophobicContact CG2-CE 3.42Å; I313-M342 VanDerWaalsContact CG2-CE 3.42Å; L338-M342 WeakPolarHBondContact O-CB 3.34Å; L338-M342 VanDerWaalsContact O-CG 3.27Å; L338-M342 WeakPolarHBondContact O-CG 3.24Å; L338-M342 PolarHBondContact O-N 2.94Å; S339-M342 PolarHBondContact O-N 2.88Å; M342-L345 HydrophobicContact SD-CD2 4.32Å; M342-G346 PolarHBondContact O-N 2.82Å; M342-F538 HydrophobicContact CB-CB 3.92Å; M342-T539 HydrophobicContact CE-CG2 4.17Å; M342-S542 WeakPolarHBondContact O-CB 3.17Å; M342-S542 PolarHBondContact O-OG 2.98Å; M342-L543 HydrophobicContact CE-CD1 4.09Å; M342-L543 HydrophobicContact SD-CD1 4.37Å; M342-L543 HydrophobicContact SD-CD2 4.41Å; M342-L543 HydrophobicContact SD-CG 4.36Å |
| 343 | H | 87.6 | Confident | 83.7 | Confident | 43 Ų | 43 | 34.5 Ų | 34.5 | 20% | 0.199 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -46.8 | 174 | 178.7 | 65.6 | 0 | 0 | 0 | 111.3 | S339 K340 L345 G346 T347 F538 L589 | S339-H343 WeakPolarHBondContact O-CB 3.38Å; S339-H343 PolarHBondContact O-N 3.36Å; K340-H343 PolarHBondContact O-N 3.13Å; H343-L345 VanDerWaalsContact C-N 3.35Å; H343-L345 PolarHBondContact O-N 2.78Å; H343-G346 WeakPolarHBondContact O-CA 3.11Å; H343-G346 PolarHBondContact O-N 3.05Å; H343-T347 PolarHBondContact O-N 2.96Å; H343-F538 HydrophobicContact CB-CD1 3.85Å; H343-F538 HydrophobicContact CB-CE1 3.86Å; H343-F538 AromaticContact CG-CE1 3.97Å; H343-F538 AromaticContact ND1-CE1 3.54Å; H343-L589 HydrophobicContact CB-CD1 3.57Å; H343-L589 VanDerWaalsContact CD2-CD1 3.47Å; H343-L589 WeakPolarHBondContact CD2-CD1 3.41Å; H343-L589 VanDerWaalsContact CG-CD1 3.44Å |
| 344 | Y | 86.5 | Confident | 82.8 | Confident | 50 Ų | 50 | 35 Ų | 35 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.5 | -45.6 | 176.6 | -175 | -101.7 | 0 | 0 | 0 | 111.7 | L301 S302 V309 K340 S341 G346 T347 Y348 | L301-Y344 HydrophobicContact CB-CD1 3.79Å; L301-Y344 HydrophobicContact CB-CD2 4.28Å; L301-Y344 HydrophobicContact CB-CE1 4.02Å; L301-Y344 HydrophobicContact CB-CG 3.94Å; L301-Y344 HydrophobicContact CD1-CG 4.29Å; L301-Y344 HydrophobicContact CD2-CD1 4.44Å; L301-Y344 WeakPolarHBondContact O-CE1 3.44Å; L301-Y344 VanDerWaalsContact O-CZ 3.32Å; L301-Y344 PolarHBondContact O-OH 2.82Å; S302-Y344 VanDerWaalsContact CA-OH 3.31Å; S302-Y344 WeakPolarHBondContact CA-OH 3.46Å; V309-Y344 HydrophobicContact CG2-CD1 4.12Å; V309-Y344 HydrophobicContact CG2-CE1 4.26Å; K340-Y344 WeakPolarHBondContact O-CB 3.5Å; K340-Y344 PolarHBondContact O-N 2.73Å; S341-Y344 PolarHBondContact O-N 3.46Å; Y344-G346 PolarHBondContact O-N 3.49Å; Y344-T347 WeakPolarHBondContact O-CB 3.42Å; Y344-T347 WeakPolarHBondContact O-CG2 3.34Å; Y344-T347 PolarHBondContact O-N 2.91Å; Y344-T347 PolarHBondContact O-OG1 2.91Å; Y344-Y348 HydrophobicContact CD1-CE2 4.12Å; Y344-Y348 AromaticContact CE1-CE2 3.52Å; Y344-Y348 HydrophobicContact CE1-CE2 3.52Å; Y344-Y348 AromaticContact CZ-CE2 3.87Å; Y344-Y348 PolarHBondContact OH-OH 2.74Å |
| 345 | L | 85.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.5 | -39 | 173.2 | -178.2 | 64.1 | 0 | 0 | 0 | 112.2 | G306 L310 I313 S341 M342 H343 T347 Y348 L363 L543 | G306-L345 WeakPolarHBondContact O-CD1 3.39Å; L310-L345 HydrophobicContact CD1-CD2 3.89Å; I313-L345 HydrophobicContact CD1-CD2 4.49Å; S341-L345 WeakPolarHBondContact O-CB 3.37Å; S341-L345 PolarHBondContact O-N 3.11Å; M342-L345 HydrophobicContact SD-CD2 4.32Å; H343-L345 VanDerWaalsContact C-N 3.35Å; H343-L345 PolarHBondContact O-N 2.78Å; L345-T347 PolarHBondContact O-N 3.38Å; L345-T347 VanDerWaalsContact O-N 3.17Å; L345-Y348 PolarHBondContact O-N 3.31Å; L345-Y348 VanDerWaalsContact O-N 3.14Å; L345-L363 HydrophobicContact CD1-CD1 3.79Å; L345-L363 HydrophobicContact CD1-CD2 4.23Å; L345-L363 HydrophobicContact CD2-CD2 3.68Å; L345-L363 HydrophobicContact CG-CD1 4.46Å; L345-L363 HydrophobicContact CG-CD2 4.03Å; L345-L543 HydrophobicContact CD2-CD2 4.01Å |
| 346 | G | 80.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -62.2 | -16.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | M342 H343 Y344 Y348 T689 | M342-G346 PolarHBondContact O-N 2.82Å; H343-G346 WeakPolarHBondContact O-CA 3.11Å; H343-G346 PolarHBondContact O-N 3.05Å; Y344-G346 PolarHBondContact O-N 3.49Å; G346-Y348 VanDerWaalsContact C-N 3.3Å; G346-T689 WeakPolarHBondContact CA-OG1 3.41Å; G346-T689 PolarHBondContact O-OG1 2.97Å |
| 347 | T | 79.4 | Confident | 80.1 | Confident | 61 Ų | 61 | 51.5 Ų | 51.5 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -73.4 | -22.4 | 175.5 | 68.6 | 0 | 0 | 0 | 0 | 112.9 | H343 Y344 L345 | H343-T347 PolarHBondContact O-N 2.96Å; Y344-T347 WeakPolarHBondContact O-CB 3.42Å; Y344-T347 WeakPolarHBondContact O-CG2 3.34Å; Y344-T347 PolarHBondContact O-N 2.91Å; Y344-T347 PolarHBondContact O-OG1 2.91Å; L345-T347 PolarHBondContact O-N 3.38Å; L345-T347 VanDerWaalsContact O-N 3.17Å |
| 348 | Y | 76.7 | Confident | 79.1 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 14% | 0.137 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -88.4 | -6.3 | 177.9 | -65.9 | -77.4 | 0 | 0 | 0 | 113.9 | Y344 L345 G346 G350 F366 A367 Q368 | Y344-Y348 HydrophobicContact CD1-CE2 4.12Å; Y344-Y348 AromaticContact CE1-CE2 3.52Å; Y344-Y348 HydrophobicContact CE1-CE2 3.52Å; Y344-Y348 AromaticContact CZ-CE2 3.87Å; Y344-Y348 PolarHBondContact OH-OH 2.74Å; L345-Y348 PolarHBondContact O-N 3.31Å; L345-Y348 VanDerWaalsContact O-N 3.14Å; G346-Y348 VanDerWaalsContact C-N 3.3Å; Y348-G350 PolarHBondContact O-N 3.06Å; Y348-F366 VanDerWaalsContact CB-CE2 3.4Å; Y348-F366 AromaticContact CG-CE2 3.98Å; Y348-F366 HydrophobicContact CG-CE2 3.98Å; Y348-A367 WeakPolarHBondContact O-CB 3.41Å; Y348-A367 PolarHBondContact O-N 2.82Å; Y348-Q368 HydrophobicContact CD1-CG 3.67Å; Y348-Q368 HydrophobicContact CE1-CG 3.78Å |
| 349 | I | 72.2 | Confident | 78.2 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.062 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -93.9 | 105.9 | -171 | -57.2 | -178.5 | 0 | 0 | 0 | 109.6 | L363 S542 K544 | I349-L363 HydrophobicContact CD1-CB 4.23Å; I349-L363 HydrophobicContact CD1-CD2 4.1Å; I349-L363 HydrophobicContact CG1-CB 4.39Å; I349-L363 WeakPolarHBondContact CG2-O 3.45Å; I349-S542 WeakPolarHBondContact CD1-O 3.21Å; I349-K544 HydrophobicContact CG2-CD 4.19Å |
| 350 | G | 65.1 | Low | 77.4 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 25% | 0.247 | 30% | 0.303 | C | S | . | . | trans | -72.8 | 148.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y348 W365 | Y348-G350 PolarHBondContact O-N 3.06Å; G350-W365 PolarHBondContact N-O 3.42Å | ||
| 351 | S | 61.2 | Low | 76.5 | Confident | 104 Ų | 104 | 60.7 Ų | 60.7 | 73% | 0.727 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -84.8 | -20.7 | 168.7 | 56 | 0 | 0 | 0 | 0 | 112.8 | ||
| 352 | K | 64.3 | Low | 75.8 | Confident | 159 Ų | 159 | 60.9 Ų | 60.9 | 69% | 0.691 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -130.4 | 150.3 | -174.6 | -64.9 | -173.8 | 178.2 | -173.2 | 0 | 111.2 | S354 | K352-S354 PolarHBondContact O-N 3.08Š|
| 353 | K | 69.4 | Low | 75.2 | Confident | 162 Ų | 162 | 60.9 Ų | 60.9 | 70% | 0.704 | 32% | 0.321 | S | S | * | . | trans | -61.1 | 124 | 168 | -176.2 | 177.8 | -178.5 | -177.8 | 0 | 108.9 | W365 | K353-W365 HydrophobicContact CB-CD2 4.17Å; K353-W365 HydrophobicContact CB-CE3 4.32Å; K353-W365 HydrophobicContact CB-CH2 3.98Å; K353-W365 HydrophobicContact CB-CZ2 3.78Å; K353-W365 HydrophobicContact CB-CZ3 4.24Å; K353-W365 HydrophobicContact CD-CH2 3.64Å; K353-W365 HydrophobicContact CD-CZ2 4Å; K353-W365 HydrophobicContact CD-CZ3 4.23Å; K353-W365 HydrophobicContact CG-CE3 4.25Å; K353-W365 HydrophobicContact CG-CH2 3.61Å; K353-W365 HydrophobicContact CG-CZ2 3.95Å; K353-W365 HydrophobicContact CG-CZ3 3.77Å | ||
| 354 | S | 74.8 | Confident | 74.7 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 38% | 0.378 | 31% | 0.313 | S | S | . | . | trans | -127.2 | 162.4 | 171 | 91.2 | 0 | 0 | 0 | 0 | 109.3 | K352 L356 C357 | K352-S354 PolarHBondContact O-N 3.08Å; S354-L356 PolarHBondContact O-N 3.44Å; S354-L356 VanDerWaalsContact O-N 3.15Å; S354-L356 PolarHBondContact OG-N 3.02Å; S354-L356 VanDerWaalsContact OG-N 3.16Å; S354-C357 PolarHBondContact O-N 3.04Å; S354-C357 VanDerWaalsContact O-N 3.07Å; S354-C357 PolarHBondContact OG-N 2.74Å; S354-C357 PolarHBondContact OG-SG 3.04Å | ||
| 355 | N | 74.2 | Confident | 74.1 | Confident | 174 Ų | 174 | 60 Ų | 60 | 93% | 0.93 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.6 | 176.7 | -66.3 | -12 | 0 | 0 | 0 | 113.3 | ||
| 356 | L | 73.7 | Confident | 73.8 | Confident | 150 Ų | 150 | 60.1 Ų | 60.1 | 79% | 0.785 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 3.6 | 178 | -59.2 | 175.8 | 0 | 0 | 0 | 112.6 | S354 | S354-L356 PolarHBondContact O-N 3.44Å; S354-L356 VanDerWaalsContact O-N 3.15Å; S354-L356 PolarHBondContact OG-N 3.02Å; S354-L356 VanDerWaalsContact OG-N 3.16Å |
| 357 | C | 76.7 | Confident | 73.4 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | trans | -106.5 | 139.3 | 179.8 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | S354 W365 F366 | S354-C357 PolarHBondContact O-N 3.04Å; S354-C357 VanDerWaalsContact O-N 3.07Å; S354-C357 PolarHBondContact OG-N 2.74Å; S354-C357 PolarHBondContact OG-SG 3.04Å; C357-W365 HydrophobicContact CB-CE3 4.28Å; C357-F366 CarbonylContact C-O 3.22Å; C357-F366 VanDerWaalsContact CA-O 3.24Å; C357-F366 WeakPolarHBondContact CA-O 3.49Å | ||
| 358 | S | 73.9 | Confident | 73.2 | Confident | 28 Ų | 28 | 61.3 Ų | 61.3 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 155.1 | 171.6 | 59 | 0 | 0 | 0 | 0 | 109.8 | F366 Q368 I370 | S358-F366 PolarHBondContact N-O 3.02Å; S358-F366 PolarHBondContact O-N 3.15Å; S358-F366 PolarHBondContact OG-O 2.87Å; S358-Q368 PolarHBondContact OG-O 3.13Å; S358-I370 VanDerWaalsContact CB-CD1 3.46Å; S358-I370 VanDerWaalsContact OG-CD1 3.3Å; S358-I370 WeakPolarHBondContact OG-CD1 3.37Å; S358-I370 WeakPolarHBondContact OG-CG1 3.17Å |
| 359 | W | 74.8 | Confident | 72.8 | Confident | 118 Ų | 118 | 64.8 Ų | 64.8 | 45% | 0.447 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 122.5 | 175.5 | -176.8 | -104.4 | 0 | 0 | 0 | 110.2 | W365 I370 E545 | W359-W365 HydrophobicContact CB-CZ3 4.26Å; W359-W365 AromaticContact CE3-CD2 3.7Å; W359-W365 HydrophobicContact CE3-CD2 3.7Å; W359-W365 AromaticContact CE3-CE2 3.69Å; W359-W365 HydrophobicContact CE3-CE3 4.1Å; W359-W365 HydrophobicContact CE3-CG 4.01Å; W359-W365 HydrophobicContact CE3-CH2 4.41Å; W359-W365 HydrophobicContact CE3-CZ2 4.07Å; W359-W365 HydrophobicContact CE3-CZ3 4.43Å; W359-W365 AromaticContact CE3-NE1 3.97Å; W359-W365 AromaticContact CZ3-CD1 3.76Å; W359-W365 HydrophobicContact CZ3-CD2 4.1Å; W359-W365 AromaticContact CZ3-CE2 3.86Å; W359-W365 HydrophobicContact CZ3-CG 4.04Å; W359-W365 HydrophobicContact CZ3-CZ2 4.45Å; W359-W365 AromaticContact CZ3-NE1 3.64Å; W359-I370 VanDerWaalsContact O-CD1 3.28Å; W359-I370 WeakPolarHBondContact O-CD1 3.26Å; W359-E545 VanDerWaalsContact CH2-CD 3.4Å; W359-E545 HydrophobicContact CH2-CG 4.22Å; W359-E545 VanDerWaalsContact CH2-OE1 3.23Å; W359-E545 WeakPolarHBondContact CH2-OE1 3.31Å; W359-E545 HydrophobicContact CZ2-CG 4.14Å |
| 360 | H | 76.2 | Confident | 72.7 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.5 | 177.1 | -169.5 | -84.8 | 0 | 0 | 0 | 110.6 | I362 L363 G364 F366 Q375 M378 | H360-I362 PolarHBondContact ND1-N 3.2Å; H360-I362 PolarHBondContact O-N 3.14Å; H360-L363 HydrophobicContact CB-CB 4.03Å; H360-L363 PolarHBondContact ND1-N 3.37Å; H360-L363 PolarHBondContact O-N 3.45Å; H360-G364 PolarHBondContact N-O 3.23Å; H360-G364 WeakPolarHBondContact O-CA 3.41Å; H360-G364 PolarHBondContact O-N 3.01Å; H360-F366 HydrophobicContact CB-CB 3.98Å; H360-Q375 PolarHBondContact CD2-NE2 3.41Å; H360-Q375 VanDerWaalsContact CD2-NE2 3.34Å; H360-Q375 PolarHBondContact NE2-NE2 3.22Å; H360-M378 VanDerWaalsContact NE2-CE 3.34Å; H360-M378 WeakPolarHBondContact NE2-CE 3.36Å |
| 361 | P | 71.8 | Confident | 73.3 | Confident | 74 Ų | 74 | 68 Ų | 68 | 48% | 0.481 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -28.1 | -174.7 | -26.8 | 33.9 | 0 | 0 | 0 | 115.6 | ||
| 362 | I | 76.9 | Confident | 74.2 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.015 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -31.3 | -177.3 | -52.4 | 171.6 | 0 | 0 | 0 | 112.1 | L310 H360 M378 T382 L385 L543 I546 | L310-I362 HydrophobicContact CD2-CB 4.39Å; L310-I362 HydrophobicContact CD2-CD1 3.81Å; L310-I362 HydrophobicContact CD2-CG2 4.33Å; H360-I362 PolarHBondContact ND1-N 3.2Å; H360-I362 PolarHBondContact O-N 3.14Å; I362-M378 HydrophobicContact CD1-CG 3.83Å; I362-M378 HydrophobicContact CD1-SD 3.66Å; I362-T382 VanDerWaalsContact CD1-OG1 3.26Å; I362-T382 WeakPolarHBondContact CD1-OG1 3.2Å; I362-L385 HydrophobicContact CD1-CD1 4.15Å; I362-L385 HydrophobicContact CG2-CD1 4.28Å; I362-L543 HydrophobicContact CG2-CD2 4.17Å; I362-I546 HydrophobicContact CG2-CD1 3.87Å; I362-I546 HydrophobicContact CG2-CG1 4.22Å |
| 363 | L | 79.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -15.2 | -168.4 | -54.8 | 173.9 | 0 | 0 | 0 | 112.8 | L345 I349 H360 F366 L543 | L345-L363 HydrophobicContact CD1-CD1 3.79Å; L345-L363 HydrophobicContact CD1-CD2 4.23Å; L345-L363 HydrophobicContact CD2-CD2 3.68Å; L345-L363 HydrophobicContact CG-CD1 4.46Å; L345-L363 HydrophobicContact CG-CD2 4.03Å; I349-L363 HydrophobicContact CD1-CB 4.23Å; I349-L363 HydrophobicContact CD1-CD2 4.1Å; I349-L363 HydrophobicContact CG1-CB 4.39Å; I349-L363 WeakPolarHBondContact CG2-O 3.45Å; H360-L363 HydrophobicContact CB-CB 4.03Å; H360-L363 PolarHBondContact ND1-N 3.37Å; H360-L363 PolarHBondContact O-N 3.45Å; L363-F366 HydrophobicContact CD1-CD2 3.83Å; L363-F366 HydrophobicContact CD1-CE2 3.93Å; L363-L543 HydrophobicContact CD2-CD2 3.46Å; L363-L543 VanDerWaalsContact CD2-CD2 3.46Å |
| 364 | G | 75.4 | Confident | 75.5 | Confident | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77 | -138.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H360 F366 | H360-G364 PolarHBondContact N-O 3.23Å; H360-G364 WeakPolarHBondContact O-CA 3.41Å; H360-G364 PolarHBondContact O-N 3.01Å; G364-F366 PolarHBondContact O-N 3.37Å; G364-F366 VanDerWaalsContact O-N 3.16Å |
| 365 | W | 75.5 | Confident | 75.8 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 28% | 0.28 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 111.8 | 177.9 | -65.8 | 110 | 0 | 0 | 0 | 111.4 | G350 K353 C357 W359 | G350-W365 PolarHBondContact N-O 3.42Å; K353-W365 HydrophobicContact CB-CD2 4.17Å; K353-W365 HydrophobicContact CB-CE3 4.32Å; K353-W365 HydrophobicContact CB-CH2 3.98Å; K353-W365 HydrophobicContact CB-CZ2 3.78Å; K353-W365 HydrophobicContact CB-CZ3 4.24Å; K353-W365 HydrophobicContact CD-CH2 3.64Å; K353-W365 HydrophobicContact CD-CZ2 4Å; K353-W365 HydrophobicContact CD-CZ3 4.23Å; K353-W365 HydrophobicContact CG-CE3 4.25Å; K353-W365 HydrophobicContact CG-CH2 3.61Å; K353-W365 HydrophobicContact CG-CZ2 3.95Å; K353-W365 HydrophobicContact CG-CZ3 3.77Å; C357-W365 HydrophobicContact CB-CE3 4.28Å; W359-W365 HydrophobicContact CB-CZ3 4.26Å; W359-W365 AromaticContact CE3-CD2 3.7Å; W359-W365 HydrophobicContact CE3-CD2 3.7Å; W359-W365 AromaticContact CE3-CE2 3.69Å; W359-W365 HydrophobicContact CE3-CE3 4.1Å; W359-W365 HydrophobicContact CE3-CG 4.01Å; W359-W365 HydrophobicContact CE3-CH2 4.41Å; W359-W365 HydrophobicContact CE3-CZ2 4.07Å; W359-W365 HydrophobicContact CE3-CZ3 4.43Å; W359-W365 AromaticContact CE3-NE1 3.97Å; W359-W365 AromaticContact CZ3-CD1 3.76Å; W359-W365 HydrophobicContact CZ3-CD2 4.1Å; W359-W365 AromaticContact CZ3-CE2 3.86Å; W359-W365 HydrophobicContact CZ3-CG 4.04Å; W359-W365 HydrophobicContact CZ3-CZ2 4.45Å; W359-W365 AromaticContact CZ3-NE1 3.64Å |
| 366 | F | 77.4 | Confident | 76.2 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.2 | -172.8 | -176.4 | -118.9 | 0 | 0 | 0 | 110.9 | Y348 C357 S358 H360 L363 G364 Q368 | Y348-F366 VanDerWaalsContact CB-CE2 3.4Å; Y348-F366 AromaticContact CG-CE2 3.98Å; Y348-F366 HydrophobicContact CG-CE2 3.98Å; C357-F366 CarbonylContact C-O 3.22Å; C357-F366 VanDerWaalsContact CA-O 3.24Å; C357-F366 WeakPolarHBondContact CA-O 3.49Å; S358-F366 PolarHBondContact N-O 3.02Å; S358-F366 PolarHBondContact O-N 3.15Å; S358-F366 PolarHBondContact OG-O 2.87Å; H360-F366 HydrophobicContact CB-CB 3.98Å; L363-F366 HydrophobicContact CD1-CD2 3.83Å; L363-F366 HydrophobicContact CD1-CE2 3.93Å; G364-F366 PolarHBondContact O-N 3.37Å; G364-F366 VanDerWaalsContact O-N 3.16Å; F366-Q368 HydrophobicContact CD1-CB 4.08Å; F366-Q368 HydrophobicContact CE1-CB 3.55Å; F366-Q368 HydrophobicContact CE1-CG 4.34Å; F366-Q368 HydrophobicContact CZ-CB 3.97Å; F366-Q368 HydrophobicContact CZ-CG 4.26Å; F366-Q368 VanDerWaalsContact CZ-OE1 3.26Å; F366-Q368 PolarHBondContact O-N 2.96Å |
| 367 | A | 71.7 | Confident | 76.9 | Confident | 50 Ų | 50 | 42.3 Ų | 42.3 | 41% | 0.413 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -83 | 32.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y348 | Y348-A367 WeakPolarHBondContact O-CB 3.41Å; Y348-A367 PolarHBondContact O-N 2.82Å |
| 368 | Q | 75.5 | Confident | 77.4 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 17% | 0.173 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -140.6 | 161.7 | 173.7 | -65.9 | -174.9 | -49.5 | 0 | 0 | 110.8 | D305 Y348 S358 F366 | D305-Q368 PolarHBondContact OD1-NE2 3.16Å; Y348-Q368 HydrophobicContact CD1-CG 3.67Å; Y348-Q368 HydrophobicContact CE1-CG 3.78Å; S358-Q368 PolarHBondContact OG-O 3.13Å; F366-Q368 HydrophobicContact CD1-CB 4.08Å; F366-Q368 HydrophobicContact CE1-CB 3.55Å; F366-Q368 HydrophobicContact CE1-CG 4.34Å; F366-Q368 HydrophobicContact CZ-CB 3.97Å; F366-Q368 HydrophobicContact CZ-CG 4.26Å; F366-Q368 VanDerWaalsContact CZ-OE1 3.26Å; F366-Q368 PolarHBondContact O-N 2.96Å |
| 369 | S | 69.2 | Low | 78 | Confident | 108 Ų | 108 | 43.4 Ų | 43.4 | 76% | 0.755 | 25% | 0.245 | S | C | * | . | P | Polyproline II helix | trans | -64.2 | 136.2 | 169.9 | 53.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 370 | I | 69.8 | Low | 78.7 | Confident | 47 Ų | 47 | 39.8 Ų | 39.8 | 24% | 0.241 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -87.7 | 129.4 | 178 | -64 | 175.9 | 0 | 0 | 0 | 109.4 | S358 W359 N372 Q375 | S358-I370 VanDerWaalsContact CB-CD1 3.46Å; S358-I370 VanDerWaalsContact OG-CD1 3.3Å; S358-I370 WeakPolarHBondContact OG-CD1 3.37Å; S358-I370 WeakPolarHBondContact OG-CG1 3.17Å; W359-I370 VanDerWaalsContact O-CD1 3.28Å; W359-I370 WeakPolarHBondContact O-CD1 3.26Å; I370-N372 PolarHBondContact O-N 3.32Å; I370-Q375 HydrophobicContact CG2-CG 3.17Å; I370-Q375 VanDerWaalsContact CG2-NE2 3.3Å |
| 371 | D | 77.3 | Confident | 79.4 | Confident | 57 Ų | 57 | 39.7 Ų | 39.7 | 31% | 0.305 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -73.6 | 117.3 | 166.8 | -174.4 | -20.2 | 0 | 0 | 0 | 109.9 | Y308 S373 L374 Q375 | Y308-D371 PolarHBondContact OH-OD2 3.26Å; D371-S373 VanDerWaalsContact C-N 3.28Å; D371-S373 VanDerWaalsContact CG-OG 3.26Å; D371-S373 PolarHBondContact O-N 3.33Å; D371-S373 WeakPolarHBondContact OD1-CB 3.23Å; D371-S373 PolarHBondContact OD1-N 3.04Å; D371-S373 PolarHBondContact OD1-OG 3.37Å; D371-S373 PolarHBondContact OD2-OG 3.43Å; D371-L374 HydrophobicContact CB-CB 3.87Å; D371-L374 PolarHBondContact O-N 3.22Å; D371-Q375 PolarHBondContact O-N 2.89Å; D371-Q375 VanDerWaalsContact O-N 3.11Å |
| 372 | N | 79.8 | Confident | 80.2 | Confident | 141 Ų | 141 | 37.6 Ų | 37.6 | 75% | 0.754 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -61.8 | -35.1 | -179.9 | -70.9 | -24.1 | 0 | 0 | 0 | 112.5 | I370 Q375 | I370-N372 PolarHBondContact O-N 3.32Å; N372-Q375 PolarHBondContact O-N 3.08Å |
| 373 | S | 78.1 | Confident | 80.7 | Confident | 52 Ų | 52 | 39 Ų | 39 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.7 | -43.9 | 178.1 | 68.5 | 0 | 0 | 0 | 0 | 110.3 | A217 D371 Q375 S376 | A217-S373 CarbonylContact C-O 3.4Å; A217-S373 CarbonylContact O-C 3.15Å; D371-S373 VanDerWaalsContact C-N 3.28Å; D371-S373 VanDerWaalsContact CG-OG 3.26Å; D371-S373 PolarHBondContact O-N 3.33Å; D371-S373 WeakPolarHBondContact OD1-CB 3.23Å; D371-S373 PolarHBondContact OD1-N 3.04Å; D371-S373 PolarHBondContact OD1-OG 3.37Å; D371-S373 PolarHBondContact OD2-OG 3.43Å; S373-Q375 VanDerWaalsContact C-N 3.35Å; S373-Q375 PolarHBondContact O-N 3.28Å; S373-S376 PolarHBondContact O-N 2.94Å; S373-S376 PolarHBondContact O-OG 2.93Å |
| 374 | L | 83.3 | Confident | 81.4 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.6 | -36.7 | 177.8 | -175.9 | 57.7 | 0 | 0 | 0 | 113.3 | P260 S307 Y308 D371 S376 A377 M378 | P260-L374 HydrophobicContact CB-CD1 3.75Å; P260-L374 HydrophobicContact CG-CD1 3.71Å; S307-L374 VanDerWaalsContact CB-CD2 3.43Å; S307-L374 WeakPolarHBondContact OG-CD2 3.26Å; Y308-L374 HydrophobicContact CD1-CD2 4.35Å; Y308-L374 HydrophobicContact CE1-CD2 4.09Å; Y308-L374 HydrophobicContact CE2-CD2 4.48Å; D371-L374 HydrophobicContact CB-CB 3.87Å; D371-L374 PolarHBondContact O-N 3.22Å; L374-S376 PolarHBondContact O-N 3.07Å; L374-A377 PolarHBondContact O-N 3.13Å; L374-A377 VanDerWaalsContact O-N 3.14Å; L374-M378 HydrophobicContact CD2-CE 4.49Å; L374-M378 HydrophobicContact CG-CE 3.98Å; L374-M378 PolarHBondContact O-N 3.05Å |
| 375 | Q | 81.6 | Confident | 82.1 | Confident | 51 Ų | 51 | 39 Ų | 39 | 24% | 0.238 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.7 | -36.7 | 176.3 | -76.1 | -61.8 | -46.7 | 0 | 0 | 112.6 | H360 I370 D371 N372 S373 A377 M378 | H360-Q375 PolarHBondContact CD2-NE2 3.41Å; H360-Q375 VanDerWaalsContact CD2-NE2 3.34Å; H360-Q375 PolarHBondContact NE2-NE2 3.22Å; I370-Q375 HydrophobicContact CG2-CG 3.17Å; I370-Q375 VanDerWaalsContact CG2-NE2 3.3Å; D371-Q375 PolarHBondContact O-N 2.89Å; D371-Q375 VanDerWaalsContact O-N 3.11Å; N372-Q375 PolarHBondContact O-N 3.08Å; S373-Q375 VanDerWaalsContact C-N 3.35Å; S373-Q375 PolarHBondContact O-N 3.28Å; Q375-A377 VanDerWaalsContact C-N 3.26Å; Q375-A377 PolarHBondContact O-N 2.89Å; Q375-M378 WeakPolarHBondContact O-CB 3.07Å; Q375-M378 PolarHBondContact O-N 2.74Å; Q375-M378 VanDerWaalsContact O-N 3.14Å |
| 376 | S | 83.2 | Confident | 82.8 | Confident | 18 Ų | 18 | 42.9 Ų | 42.9 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.2 | -30 | 179.9 | 72.2 | 0 | 0 | 0 | 0 | 112.9 | A217 R218 H219 S373 L374 | A217-S376 PolarHBondContact O-OG 3.5Å; R218-S376 WeakPolarHBondContact CA-OG 3.49Å; H219-S376 WeakPolarHBondContact CA-O 3.39Å; H219-S376 VanDerWaalsContact CE1-CA 3.49Å; H219-S376 WeakPolarHBondContact CE1-CA 3.23Å; H219-S376 PolarHBondContact CE1-O 2.89Å; H219-S376 PolarHBondContact N-OG 3.47Å; H219-S376 PolarHBondContact ND1-O 2.66Å; S373-S376 PolarHBondContact O-N 2.94Å; S373-S376 PolarHBondContact O-OG 2.93Å; L374-S376 PolarHBondContact O-N 3.07Å |
| 377 | A | 86.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -0.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P260 L374 Q375 S379 F380 | P260-A377 HydrophobicContact CB-CB 3.92Å; P260-A377 HydrophobicContact CG-CB 4.01Å; L374-A377 PolarHBondContact O-N 3.13Å; L374-A377 VanDerWaalsContact O-N 3.14Å; Q375-A377 VanDerWaalsContact C-N 3.26Å; Q375-A377 PolarHBondContact O-N 2.89Å; A377-S379 PolarHBondContact O-N 3.15Å; A377-S379 VanDerWaalsContact O-N 3.16Å; A377-F380 HydrophobicContact CB-CD2 4.19Å; A377-F380 WeakPolarHBondContact O-CB 3.41Å; A377-F380 PolarHBondContact O-N 2.89Å; A377-F380 VanDerWaalsContact O-N 3.08Å |
| 378 | M | 87.5 | Confident | 84.5 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.039 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.7 | -21.9 | -172.3 | -163.8 | 60 | 63.2 | 0 | 0 | 113.3 | L310 H360 I362 L374 Q375 F380 V381 T382 | L310-M378 HydrophobicContact CD2-SD 4.24Å; H360-M378 VanDerWaalsContact NE2-CE 3.34Å; H360-M378 WeakPolarHBondContact NE2-CE 3.36Å; I362-M378 HydrophobicContact CD1-CG 3.83Å; I362-M378 HydrophobicContact CD1-SD 3.66Å; L374-M378 HydrophobicContact CD2-CE 4.49Å; L374-M378 HydrophobicContact CG-CE 3.98Å; L374-M378 PolarHBondContact O-N 3.05Å; Q375-M378 WeakPolarHBondContact O-CB 3.07Å; Q375-M378 PolarHBondContact O-N 2.74Å; Q375-M378 VanDerWaalsContact O-N 3.14Å; M378-F380 VanDerWaalsContact C-N 3.33Å; M378-F380 PolarHBondContact O-N 3.23Å; M378-V381 PolarHBondContact O-N 3.41Å; M378-V381 HydrophobicContact SD-CB 4.03Å; M378-V381 HydrophobicContact SD-CG1 4.21Å; M378-V381 HydrophobicContact SD-CG2 4.43Å; M378-T382 WeakPolarHBondContact O-CB 3.39Å; M378-T382 PolarHBondContact O-N 3.17Å; M378-T382 PolarHBondContact O-OG1 3.33Å |
| 379 | S | 86.8 | Confident | 85.3 | Confident | 69 Ų | 69 | 39.9 Ų | 39.9 | 48% | 0.483 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.8 | -42.1 | 172.4 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | A377 T382 S383 | A377-S379 PolarHBondContact O-N 3.15Å; A377-S379 VanDerWaalsContact O-N 3.16Å; S379-T382 PolarHBondContact O-N 3.12Å; S379-S383 PolarHBondContact O-N 3.26Å |
| 380 | F | 90.1 | Very high | 86.2 | Confident | 41 Ų | 41 | 37 Ų | 37 | 18% | 0.18 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.4 | -47.1 | 176.8 | -56.6 | -59.3 | 0 | 0 | 0 | 111 | H219 L264 H265 A377 M378 T382 S383 Q384 | H219-F380 WeakPolarHBondContact O-CE2 3.43Å; H219-F380 VanDerWaalsContact O-CZ 3.27Å; H219-F380 WeakPolarHBondContact O-CZ 3.16Å; L264-F380 HydrophobicContact CD2-CD1 4.16Å; H265-F380 AromaticContact NE2-CD2 3.86Å; A377-F380 HydrophobicContact CB-CD2 4.19Å; A377-F380 WeakPolarHBondContact O-CB 3.41Å; A377-F380 PolarHBondContact O-N 2.89Å; A377-F380 VanDerWaalsContact O-N 3.08Å; M378-F380 VanDerWaalsContact C-N 3.33Å; M378-F380 PolarHBondContact O-N 3.23Å; F380-T382 VanDerWaalsContact C-N 3.31Å; F380-T382 PolarHBondContact O-N 2.82Å; F380-S383 WeakPolarHBondContact O-CB 3.46Å; F380-S383 PolarHBondContact O-N 3Å; F380-S383 VanDerWaalsContact O-N 3.1Å; F380-S383 PolarHBondContact O-OG 3.3Å; F380-Q384 WeakPolarHBondContact O-CG 3.48Å; F380-Q384 PolarHBondContact O-N 2.88Å |
| 381 | V | 90.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 177.2 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | P260 L310 A314 M378 S383 Q384 L385 | P260-V381 HydrophobicContact CB-CG2 3.84Å; L310-V381 HydrophobicContact CD2-CG1 4.25Å; L310-V381 HydrophobicContact CG-CG1 3.99Å; A314-V381 HydrophobicContact CB-CG1 3.83Å; M378-V381 PolarHBondContact O-N 3.41Å; M378-V381 HydrophobicContact SD-CB 4.03Å; M378-V381 HydrophobicContact SD-CG1 4.21Å; M378-V381 HydrophobicContact SD-CG2 4.43Å; V381-S383 VanDerWaalsContact C-N 3.33Å; V381-S383 PolarHBondContact O-N 2.94Å; V381-Q384 PolarHBondContact O-N 3.38Å; V381-L385 HydrophobicContact CG1-CD1 4.12Å; V381-L385 HydrophobicContact CG1-CG 4.41Å; V381-L385 VanDerWaalsContact O-CG 3.28Å; V381-L385 WeakPolarHBondContact O-CG 3.19Å; V381-L385 PolarHBondContact O-N 3.16Å |
| 382 | T | 87.8 | Confident | 87.1 | Confident | 29 Ų | 29 | 36.2 Ų | 36.2 | 18% | 0.178 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.1 | -42.7 | 175.9 | -54 | 0 | 0 | 0 | 0 | 111.7 | I362 M378 S379 F380 Q384 L385 R386 | I362-T382 VanDerWaalsContact CD1-OG1 3.26Å; I362-T382 WeakPolarHBondContact CD1-OG1 3.2Å; M378-T382 WeakPolarHBondContact O-CB 3.39Å; M378-T382 PolarHBondContact O-N 3.17Å; M378-T382 PolarHBondContact O-OG1 3.33Å; S379-T382 PolarHBondContact O-N 3.12Å; F380-T382 VanDerWaalsContact C-N 3.31Å; F380-T382 PolarHBondContact O-N 2.82Å; T382-Q384 VanDerWaalsContact C-N 3.35Å; T382-Q384 PolarHBondContact O-N 3.38Å; T382-L385 PolarHBondContact O-N 3.11Å; T382-R386 WeakPolarHBondContact O-CG 3.49Å; T382-R386 PolarHBondContact O-N 2.92Å |
| 383 | S | 88.4 | Confident | 87.7 | Confident | 33 Ų | 33 | 29.5 Ų | 29.5 | 23% | 0.231 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.1 | -38.9 | 178.4 | 77.1 | 0 | 0 | 0 | 0 | 112.5 | L264 S379 F380 V381 | L264-S383 WeakPolarHBondContact CD1-OG 3.49Å; S379-S383 PolarHBondContact O-N 3.26Å; F380-S383 WeakPolarHBondContact O-CB 3.46Å; F380-S383 PolarHBondContact O-N 3Å; F380-S383 VanDerWaalsContact O-N 3.1Å; F380-S383 PolarHBondContact O-OG 3.3Å; V381-S383 VanDerWaalsContact C-N 3.33Å; V381-S383 PolarHBondContact O-N 2.94Å |
| 384 | Q | 93.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.1 | -44 | 175.1 | -70.2 | 178.3 | -65 | 0 | 0 | 111.5 | L264 A314 N315 F380 V381 T382 R386 L387 | L264-Q384 HydrophobicContact CB-CG 4.17Å; L264-Q384 HydrophobicContact CD1-CG 3.78Å; A314-Q384 HydrophobicContact CB-CB 3.78Å; N315-Q384 PolarHBondContact OD1-NE2 2.84Å; F380-Q384 WeakPolarHBondContact O-CG 3.48Å; F380-Q384 PolarHBondContact O-N 2.88Å; V381-Q384 PolarHBondContact O-N 3.38Å; T382-Q384 VanDerWaalsContact C-N 3.35Å; T382-Q384 PolarHBondContact O-N 3.38Å; Q384-R386 VanDerWaalsContact C-N 3.29Å; Q384-R386 PolarHBondContact O-N 3.14Å; Q384-L387 WeakPolarHBondContact O-CB 3.33Å; Q384-L387 WeakPolarHBondContact O-CG 3.35Å; Q384-L387 PolarHBondContact O-N 3.28Å |
| 385 | L | 91.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.3 | -39.5 | 177 | -68.6 | 169.6 | 0 | 0 | 0 | 111.8 | L310 I313 A314 I317 I362 V381 T382 L387 L388 W389 | L310-L385 HydrophobicContact CD1-CD1 3.59Å; L310-L385 HydrophobicContact CD1-CD2 4.01Å; L310-L385 HydrophobicContact CD1-CG 4.42Å; L310-L385 HydrophobicContact CD2-CD1 4.14Å; L310-L385 HydrophobicContact CG-CD1 3.9Å; I313-L385 HydrophobicContact CG2-CD2 4.11Å; A314-L385 HydrophobicContact CB-CD2 4.13Å; A314-L385 HydrophobicContact CB-CG 4.19Å; I317-L385 HydrophobicContact CD1-CD2 3.94Å; I362-L385 HydrophobicContact CD1-CD1 4.15Å; I362-L385 HydrophobicContact CG2-CD1 4.28Å; V381-L385 HydrophobicContact CG1-CD1 4.12Å; V381-L385 HydrophobicContact CG1-CG 4.41Å; V381-L385 VanDerWaalsContact O-CG 3.28Å; V381-L385 WeakPolarHBondContact O-CG 3.19Å; V381-L385 PolarHBondContact O-N 3.16Å; T382-L385 PolarHBondContact O-N 3.11Å; L385-L387 PolarHBondContact O-N 3.41Å; L385-L388 VanDerWaalsContact O-CB 3.25Å; L385-L388 WeakPolarHBondContact O-CB 3.34Å; L385-L388 PolarHBondContact O-N 3.07Å; L385-W389 HydrophobicContact CB-CH2 3.93Å; L385-W389 HydrophobicContact CB-CZ3 4.22Å; L385-W389 WeakPolarHBondContact O-CH2 3.33Å; L385-W389 WeakPolarHBondContact O-CZ3 3.47Å |
| 386 | R | 89.6 | Confident | 88.6 | Confident | 156 Ų | 156 | 29.4 Ų | 29.4 | 59% | 0.589 | 15% | 0.146 | S | C | * | . | G | 310 helix | trans | -57.1 | -22.6 | 175.8 | -75.5 | 173.1 | -178.2 | -163.3 | 1.8 | 113.7 | T382 Q384 L388 W389 N390 | T382-R386 WeakPolarHBondContact O-CG 3.49Å; T382-R386 PolarHBondContact O-N 2.92Å; Q384-R386 VanDerWaalsContact C-N 3.29Å; Q384-R386 PolarHBondContact O-N 3.14Å; R386-L388 PolarHBondContact O-N 3.01Å; R386-W389 VanDerWaalsContact CA-CZ2 3.47Å; R386-W389 HydrophobicContact CB-CZ2 4.06Å; R386-W389 HydrophobicContact CG-CH2 4.35Å; R386-W389 HydrophobicContact CG-CZ2 3.56Å; R386-N390 PolarHBondContact O-N 3.01Å |
| 387 | L | 91.9 | Very high | 88.9 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -64.6 | -26.4 | 174.1 | -59.9 | 173.2 | 0 | 0 | 0 | 112.1 | I317 Q318 L321 Q384 L385 W389 N390 M393 L453 L454 | I317-L387 HydrophobicContact CG2-CB 3.98Å; Q318-L387 HydrophobicContact CB-CD1 4.23Å; Q318-L387 HydrophobicContact CG-CD1 4.12Å; L321-L387 HydrophobicContact CD1-CB 3.67Å; L321-L387 HydrophobicContact CD1-CD1 4.03Å; L321-L387 HydrophobicContact CD1-CD2 4.41Å; L321-L387 HydrophobicContact CD1-CG 4.26Å; Q384-L387 WeakPolarHBondContact O-CB 3.33Å; Q384-L387 WeakPolarHBondContact O-CG 3.35Å; Q384-L387 PolarHBondContact O-N 3.28Å; L385-L387 PolarHBondContact O-N 3.41Å; L387-W389 PolarHBondContact O-N 2.81Å; L387-N390 WeakPolarHBondContact O-CB 3.43Å; L387-N390 PolarHBondContact O-N 3.04Å; L387-M393 WeakPolarHBondContact O-CB 3.49Å; L387-L453 HydrophobicContact CD2-CB 4.47Å; L387-L454 HydrophobicContact CD2-CD2 4.25Å |
| 388 | L | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -65.2 | -35.9 | -177.9 | -179.5 | 60.3 | 0 | 0 | 0 | 113.2 | I317 L385 R386 M393 L397 L535 Y536 T539 | I317-L388 HydrophobicContact CD1-CB 3.96Å; I317-L388 HydrophobicContact CD1-CD2 4.08Å; I317-L388 HydrophobicContact CD1-CG 4.45Å; I317-L388 HydrophobicContact CG1-CB 4.4Å; I317-L388 HydrophobicContact CG1-CD1 4.44Å; I317-L388 HydrophobicContact CG2-CB 4.2Å; L385-L388 VanDerWaalsContact O-CB 3.25Å; L385-L388 WeakPolarHBondContact O-CB 3.34Å; L385-L388 PolarHBondContact O-N 3.07Å; R386-L388 PolarHBondContact O-N 3.01Å; L388-M393 HydrophobicContact CD1-CG 4.24Å; L388-M393 VanDerWaalsContact O-CG 3.27Å; L388-M393 WeakPolarHBondContact O-CG 3.47Å; L388-L397 HydrophobicContact CD1-CD1 4.21Å; L388-L535 HydrophobicContact CD1-CD2 3.93Å; L388-Y536 HydrophobicContact CG-CE1 4.2Å; L388-Y536 PolarHBondContact O-OH 3.29Å; L388-T539 HydrophobicContact CD2-CG2 3.8Å |
| 389 | W | 90.5 | Very high | 89 | Confident | 22 Ų | 22 | 28.5 Ų | 28.5 | 8% | 0.083 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -108.4 | 18 | 176.3 | 57.3 | 89.4 | 0 | 0 | 0 | 112.5 | L385 R386 L387 Y536 I546 I550 | L385-W389 HydrophobicContact CB-CH2 3.93Å; L385-W389 HydrophobicContact CB-CZ3 4.22Å; L385-W389 WeakPolarHBondContact O-CH2 3.33Å; L385-W389 WeakPolarHBondContact O-CZ3 3.47Å; R386-W389 VanDerWaalsContact CA-CZ2 3.47Å; R386-W389 HydrophobicContact CB-CZ2 4.06Å; R386-W389 HydrophobicContact CG-CH2 4.35Å; R386-W389 HydrophobicContact CG-CZ2 3.56Å; L387-W389 PolarHBondContact O-N 2.81Å; W389-Y536 HydrophobicContact CB-CE1 4.45Å; W389-I546 HydrophobicContact CH2-CD1 3.47Å; W389-I546 VanDerWaalsContact CH2-CD1 3.47Å; W389-I546 HydrophobicContact CZ2-CD1 4.01Å; W389-I546 HydrophobicContact CZ3-CD1 4.3Å; W389-I550 HydrophobicContact CD2-CB 4.41Å; W389-I550 HydrophobicContact CD2-CG1 3.8Å; W389-I550 HydrophobicContact CE3-CB 4.48Å; W389-I550 HydrophobicContact CE3-CG1 3.62Å; W389-I550 HydrophobicContact CG-CG1 4.46Å; W389-I550 HydrophobicContact CH2-CG1 4.11Å; W389-I550 HydrophobicContact CZ2-CG1 4.23Å; W389-I550 HydrophobicContact CZ3-CD1 4.35Å; W389-I550 HydrophobicContact CZ3-CG1 3.79Å |
| 390 | N | 88.3 | Confident | 88.8 | Confident | 46 Ų | 46 | 25.3 Ų | 25.3 | 25% | 0.246 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -71 | 144.1 | 167.8 | -178.2 | -61.1 | 0 | 0 | 0 | 109.6 | R386 L387 R392 M393 V394 | R386-N390 PolarHBondContact O-N 3.01Å; L387-N390 WeakPolarHBondContact O-CB 3.43Å; L387-N390 PolarHBondContact O-N 3.04Å; N390-R392 PolarHBondContact O-N 3.46Å; N390-R392 PolarHBondContact OD1-N 3.16Å; N390-M393 PolarHBondContact O-N 3.15Å; N390-V394 WeakPolarHBondContact O-CG2 3.32Å; N390-V394 PolarHBondContact O-N 3.33Å |
| 391 | G | 81.5 | Confident | 88.5 | Confident | 22 Ų | 22 | 23.3 Ų | 23.3 | 23% | 0.227 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -53.1 | -27.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R395 | G391-R395 WeakPolarHBondContact O-CB 3.41Å; G391-R395 VanDerWaalsContact O-CG 3.22Å; G391-R395 WeakPolarHBondContact O-CG 3.45Å; G391-R395 PolarHBondContact O-N 3.29Å; G391-R395 PolarHBondContact O-NH1 3.44Å; G391-R395 VanDerWaalsContact O-NH1 3.16Å |
| 392 | R | 86.4 | Confident | 88.1 | Confident | 66 Ų | 66 | 25.2 Ų | 25.2 | 25% | 0.249 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.2 | -48.8 | 172.7 | -176.9 | 178.3 | 174.8 | 172.2 | -0.6 | 111.8 | N390 L396 | N390-R392 PolarHBondContact O-N 3.46Å; N390-R392 PolarHBondContact OD1-N 3.16Å; R392-L396 HydrophobicContact CG-CD1 4.25Å; R392-L396 VanDerWaalsContact O-CG 3.3Å; R392-L396 WeakPolarHBondContact O-CG 3.37Å; R392-L396 PolarHBondContact O-N 3.3Å; R392-L396 VanDerWaalsContact O-N 3.11Å |
| 393 | M | 90.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.2 | -45.4 | 179.3 | 179.9 | 62.9 | 88.7 | 0 | 0 | 111.3 | I317 S320 L321 L327 L387 L388 N390 R395 L396 L397 | I317-M393 HydrophobicContact CG2-CE 4Å; S320-M393 WeakPolarHBondContact OG-CE 3.37Å; L321-M393 HydrophobicContact CD1-CE 3.92Å; L321-M393 HydrophobicContact CD2-CB 4.31Å; L321-M393 HydrophobicContact CD2-CE 3.56Å; L321-M393 HydrophobicContact CD2-SD 3.96Å; L321-M393 HydrophobicContact CG-CE 3.48Å; L321-M393 VanDerWaalsContact CG-CE 3.48Å; L327-M393 HydrophobicContact CD2-CE 4.36Å; L327-M393 HydrophobicContact CD2-SD 3.75Å; L387-M393 WeakPolarHBondContact O-CB 3.49Å; L388-M393 HydrophobicContact CD1-CG 4.24Å; L388-M393 VanDerWaalsContact O-CG 3.27Å; L388-M393 WeakPolarHBondContact O-CG 3.47Å; N390-M393 PolarHBondContact O-N 3.15Å; M393-R395 VanDerWaalsContact C-N 3.31Å; M393-R395 PolarHBondContact O-N 3.47Å; M393-L396 PolarHBondContact O-N 2.92Å; M393-L396 VanDerWaalsContact O-N 3.11Å; M393-L397 HydrophobicContact CG-CD1 3.8Å; M393-L397 HydrophobicContact CG-CG 4.12Å; M393-L397 WeakPolarHBondContact O-CG 3.35Å; M393-L397 PolarHBondContact O-N 2.86Å; M393-L397 HydrophobicContact SD-CD1 3.92Å; M393-L397 HydrophobicContact SD-CD2 4.23Å; M393-L397 HydrophobicContact SD-CG 3.8Å |
| 394 | V | 89.1 | Confident | 87 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.3 | -45.8 | 179 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | N390 L396 L397 F398 Y536 L554 L559 | N390-V394 WeakPolarHBondContact O-CG2 3.32Å; N390-V394 PolarHBondContact O-N 3.33Å; V394-L396 PolarHBondContact O-N 2.91Å; V394-L397 PolarHBondContact O-N 3.17Å; V394-F398 HydrophobicContact CG1-CD2 3.97Å; V394-F398 HydrophobicContact CG1-CE2 4.48Å; V394-F398 WeakPolarHBondContact O-CB 3.49Å; V394-F398 WeakPolarHBondContact O-CD2 3.49Å; V394-F398 PolarHBondContact O-N 3.1Å; V394-Y536 WeakPolarHBondContact CG2-OH 3.21Å; V394-L554 HydrophobicContact CG1-CD2 4.2Å; V394-L554 HydrophobicContact CG2-CD2 3.95Å; V394-L559 HydrophobicContact CG1-CD2 3.68Å |
| 395 | R | 86.5 | Confident | 85.5 | Confident | 87 Ų | 87 | 28.7 Ų | 28.7 | 33% | 0.328 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63 | -39.7 | 175.8 | -76.6 | -178.3 | -176 | 93.2 | -5.1 | 113.2 | G391 M393 F398 A399 Y402 | G391-R395 WeakPolarHBondContact O-CB 3.41Å; G391-R395 VanDerWaalsContact O-CG 3.22Å; G391-R395 WeakPolarHBondContact O-CG 3.45Å; G391-R395 PolarHBondContact O-N 3.29Å; G391-R395 PolarHBondContact O-NH1 3.44Å; G391-R395 VanDerWaalsContact O-NH1 3.16Å; M393-R395 VanDerWaalsContact C-N 3.31Å; M393-R395 PolarHBondContact O-N 3.47Å; R395-F398 CarbonylContact O-C 3.59Å; R395-A399 WeakPolarHBondContact O-CA 3.4Å; R395-A399 PolarHBondContact O-N 3.19Å; R395-Y402 HydrophobicContact CB-CE2 4.35Å; R395-Y402 HydrophobicContact CG-CD2 4.31Å; R395-Y402 HydrophobicContact CG-CE1 4.26Å; R395-Y402 HydrophobicContact CG-CE2 3.88Å |
| 396 | L | 87.3 | Confident | 83.9 | Confident | 12 Ų | 12 | 33.7 Ų | 33.7 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66 | -47.2 | 177.1 | -71.6 | 169.6 | 0 | 0 | 0 | 111.9 | L321 T324 L327 R392 M393 V394 A399 Y473 R476 | L321-L396 HydrophobicContact CD2-CD1 3.97Å; T324-L396 HydrophobicContact CG2-CD1 3.86Å; L327-L396 HydrophobicContact CD2-CB 4.31Å; L327-L396 HydrophobicContact CD2-CD1 4.36Å; R392-L396 HydrophobicContact CG-CD1 4.25Å; R392-L396 VanDerWaalsContact O-CG 3.3Å; R392-L396 WeakPolarHBondContact O-CG 3.37Å; R392-L396 PolarHBondContact O-N 3.3Å; R392-L396 VanDerWaalsContact O-N 3.11Å; M393-L396 PolarHBondContact O-N 2.92Å; M393-L396 VanDerWaalsContact O-N 3.11Å; V394-L396 PolarHBondContact O-N 2.91Å; L396-A399 VanDerWaalsContact O-CB 3.29Å; L396-A399 WeakPolarHBondContact O-CB 3.28Å; L396-A399 PolarHBondContact O-N 2.88Å; L396-Y473 HydrophobicContact CD2-CE1 3.97Å; L396-R476 VanDerWaalsContact CD2-NH1 3.32Å |
| 397 | L | 90.3 | Very high | 82.6 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.4 | -38.2 | -179.2 | -66.5 | -179.9 | 0 | 0 | 0 | 111.8 | L327 C331 F334 L388 M393 V394 R478 V532 L535 Y536 | L327-L397 HydrophobicContact CD1-CD2 3.99Å; L327-L397 HydrophobicContact CD2-CD2 4.36Å; L327-L397 HydrophobicContact CG-CD2 4.41Å; C331-L397 VanDerWaalsContact SG-CD2 3.56Å; F334-L397 HydrophobicContact CD1-CD2 4.19Å; F334-L397 HydrophobicContact CE1-CD2 4.12Å; L388-L397 HydrophobicContact CD1-CD1 4.21Å; M393-L397 HydrophobicContact CG-CD1 3.8Å; M393-L397 HydrophobicContact CG-CG 4.12Å; M393-L397 WeakPolarHBondContact O-CG 3.35Å; M393-L397 PolarHBondContact O-N 2.86Å; M393-L397 HydrophobicContact SD-CD1 3.92Å; M393-L397 HydrophobicContact SD-CD2 4.23Å; M393-L397 HydrophobicContact SD-CG 3.8Å; V394-L397 PolarHBondContact O-N 3.17Å; L397-R478 PolarHBondContact O-NH2 3.08Å; L397-V532 HydrophobicContact CB-CG1 3.78Å; L397-V532 HydrophobicContact CB-CG2 4.2Å; L397-V532 WeakPolarHBondContact O-CG2 3.45Å; L397-L535 HydrophobicContact CD1-CD2 4.09Å; L397-Y536 HydrophobicContact CD1-CE2 4Å |
| 398 | F | 89.9 | Confident | 81 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 19.5 | 175.5 | -71.3 | -79.2 | 0 | 0 | 0 | 113.6 | V394 R395 D400 L401 Y402 L529 V532 Y536 L554 L559 | V394-F398 HydrophobicContact CG1-CD2 3.97Å; V394-F398 HydrophobicContact CG1-CE2 4.48Å; V394-F398 WeakPolarHBondContact O-CB 3.49Å; V394-F398 WeakPolarHBondContact O-CD2 3.49Å; V394-F398 PolarHBondContact O-N 3.1Å; R395-F398 CarbonylContact O-C 3.59Å; F398-D400 PolarHBondContact O-N 3.04Å; F398-L401 HydrophobicContact CB-CB 4.39Å; F398-L401 HydrophobicContact CD1-CD2 4.13Å; F398-L401 WeakPolarHBondContact O-CA 3.33Å; F398-L401 WeakPolarHBondContact O-CB 3.44Å; F398-L401 PolarHBondContact O-N 2.96Å; F398-Y402 HydrophobicContact CB-CD2 3.96Å; F398-Y402 HydrophobicContact CB-CE2 3.93Å; F398-Y402 WeakPolarHBondContact O-CD2 3.41Å; F398-Y402 PolarHBondContact O-N 3.18Å; F398-Y402 VanDerWaalsContact O-N 3.08Å; F398-L529 HydrophobicContact CD1-CD1 3.82Å; F398-L529 HydrophobicContact CE1-CD1 3.87Å; F398-V532 HydrophobicContact CD1-CG1 4Å; F398-V532 HydrophobicContact CD2-CG1 3.91Å; F398-V532 HydrophobicContact CE1-CB 4.46Å; F398-V532 HydrophobicContact CE1-CG1 3.69Å; F398-V532 HydrophobicContact CE2-CG1 3.61Å; F398-V532 HydrophobicContact CG-CG1 4.11Å; F398-V532 HydrophobicContact CZ-CG1 3.5Å; F398-V532 VanDerWaalsContact CZ-CG1 3.5Å; F398-Y536 HydrophobicContact CD2-CE2 4.32Å; F398-Y536 AromaticContact CE2-CD2 3.8Å; F398-Y536 HydrophobicContact CE2-CD2 3.8Å; F398-Y536 AromaticContact CE2-CE2 3.52Å; F398-Y536 HydrophobicContact CE2-CE2 3.52Å; F398-Y536 HydrophobicContact CZ-CD2 4.1Å; F398-Y536 HydrophobicContact CZ-CE2 4.26Å; F398-L554 HydrophobicContact CE2-CD2 4.35Å; F398-L559 HydrophobicContact CB-CD1 3.92Å; F398-L559 HydrophobicContact CD1-CD1 3.95Å; F398-L559 HydrophobicContact CD2-CD1 3.86Å; F398-L559 HydrophobicContact CD2-CD2 3.97Å; F398-L559 HydrophobicContact CE1-CD1 4.4Å; F398-L559 HydrophobicContact CE2-CD1 4.31Å; F398-L559 HydrophobicContact CE2-CD2 3.86Å; F398-L559 HydrophobicContact CG-CD1 3.66Å; F398-L559 HydrophobicContact CZ-CD2 4.4Å |
| 399 | A | 85.4 | Confident | 79 | Confident | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -52.6 | -37.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | R395 L396 L401 Y402 A403 | R395-A399 WeakPolarHBondContact O-CA 3.4Å; R395-A399 PolarHBondContact O-N 3.19Å; L396-A399 VanDerWaalsContact O-CB 3.29Å; L396-A399 WeakPolarHBondContact O-CB 3.28Å; L396-A399 PolarHBondContact O-N 2.88Å; A399-L401 VanDerWaalsContact C-N 3.25Å; A399-L401 PolarHBondContact O-N 3.27Å; A399-Y402 PolarHBondContact O-N 2.96Å; A399-A403 WeakPolarHBondContact O-CB 3.37Å; A399-A403 PolarHBondContact O-N 3.41Å |
| 400 | D | 82 | Confident | 76.6 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.011 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.3 | -40 | 177.7 | -59.6 | -4.7 | 0 | 0 | 0 | 111.8 | F398 Q404 R478 L481 S528 | F398-D400 PolarHBondContact O-N 3.04Å; D400-Q404 VanDerWaalsContact O-CG 3.31Å; D400-Q404 WeakPolarHBondContact O-CG 3.41Å; D400-Q404 PolarHBondContact O-NE2 3.4Å; D400-Q404 VanDerWaalsContact O-NE2 3.07Å; D400-R478 WeakPolarHBondContact OD1-CA 2.83Å; D400-R478 VanDerWaalsContact OD1-CB 3.26Å; D400-R478 WeakPolarHBondContact OD1-CB 3.26Å; D400-R478 IonicContact OD1-CZ 2.77Å; D400-R478 PolarHBondContact OD1-N 3.29Å; D400-R478 IonicContact OD1-NE 2.64Å; D400-R478 PolarHBondContact OD1-NE 2.99Å; D400-R478 IonicContact OD1-NH2 2.68Å; D400-R478 PolarHBondContact OD1-NH2 3.03Å; D400-R478 WeakPolarHBondContact OD2-CB 3.49Å; D400-R478 IonicContact OD2-CZ 3.67Å; D400-R478 VanDerWaalsContact OD2-CZ 3.3Å; D400-R478 IonicContact OD2-NE 3.5Å; D400-R478 PolarHBondContact OD2-NE 3.44Å; D400-R478 IonicContact OD2-NH2 3.89Å; D400-R478 PolarHBondContact OD2-NH2 3.46Å; D400-L481 HydrophobicContact CB-CB 4.07Å; D400-L481 HydrophobicContact CB-CD2 4.2Å; D400-S528 PolarHBondContact OD2-OG 3.29Å; D400-S528 VanDerWaalsContact OD2-OG 3.12Å |
| 401 | L | 84.4 | Confident | 73.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -76.8 | -39.4 | -178.3 | -172.5 | 70 | 0 | 0 | 0 | 111.4 | F398 A399 A403 Q404 L407 L481 L559 R562 M563 L566 | F398-L401 HydrophobicContact CB-CB 4.39Å; F398-L401 HydrophobicContact CD1-CD2 4.13Å; F398-L401 WeakPolarHBondContact O-CA 3.33Å; F398-L401 WeakPolarHBondContact O-CB 3.44Å; F398-L401 PolarHBondContact O-N 2.96Å; A399-L401 VanDerWaalsContact C-N 3.25Å; A399-L401 PolarHBondContact O-N 3.27Å; L401-A403 VanDerWaalsContact C-N 3.31Å; L401-Q404 PolarHBondContact O-N 3.31Å; L401-L407 HydrophobicContact CD1-CD1 3.46Å; L401-L407 VanDerWaalsContact CD1-CD1 3.46Å; L401-L407 HydrophobicContact CG-CD1 4.41Å; L401-L481 HydrophobicContact CB-CD2 4.23Å; L401-L481 HydrophobicContact CD1-CD2 3.97Å; L401-L559 HydrophobicContact CD2-CD1 3.68Å; L401-R562 HydrophobicContact CD1-CB 4.25Å; L401-R562 HydrophobicContact CD2-CB 3.97Å; L401-R562 HydrophobicContact CG-CB 3.89Å; L401-M563 HydrophobicContact CD2-CG 3.78Å; L401-L566 HydrophobicContact CD1-CB 4.46Å; L401-L566 HydrophobicContact CD1-CD2 4.09Å |
| 402 | Y | 81.7 | Confident | 71.3 | Confident | 40 Ų | 40 | 51.2 Ų | 51.2 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67 | -31.8 | 174.9 | -80.9 | -79.4 | 0 | 0 | 0 | 112.6 | R395 F398 A399 Q404 D558 L559 | R395-Y402 HydrophobicContact CB-CE2 4.35Å; R395-Y402 HydrophobicContact CG-CD2 4.31Å; R395-Y402 HydrophobicContact CG-CE1 4.26Å; R395-Y402 HydrophobicContact CG-CE2 3.88Å; F398-Y402 HydrophobicContact CB-CD2 3.96Å; F398-Y402 HydrophobicContact CB-CE2 3.93Å; F398-Y402 WeakPolarHBondContact O-CD2 3.41Å; F398-Y402 PolarHBondContact O-N 3.18Å; F398-Y402 VanDerWaalsContact O-N 3.08Å; A399-Y402 PolarHBondContact O-N 2.96Å; Y402-Q404 VanDerWaalsContact C-N 3.27Å; Y402-Q404 PolarHBondContact O-N 2.89Å; Y402-D558 WeakPolarHBondContact CE1-OD1 3.32Å; Y402-L559 HydrophobicContact CE2-CD1 4.17Å |
| 403 | A | 77.7 | Confident | 68.4 | Low | 46 Ų | 46 | 53 Ų | 53 | 38% | 0.38 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -13.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A399 L401 A405 V477 | A399-A403 WeakPolarHBondContact O-CB 3.37Å; A399-A403 PolarHBondContact O-N 3.41Å; L401-A403 VanDerWaalsContact C-N 3.31Å; A403-A405 PolarHBondContact O-N 3.1Å; A403-V477 HydrophobicContact CB-CB 4.1Å; A403-V477 HydrophobicContact CB-CG1 3.57Å; A403-V477 HydrophobicContact CB-CG2 3.32Å |
| 404 | Q | 76 | Confident | 65.4 | Low | 20 Ų | 20 | 57.6 Ų | 57.6 | 9% | 0.093 | 33% | 0.33 | C | S | . | . | trans | -82.9 | 103.9 | -178.9 | -54.8 | -52 | -53.7 | 0 | 0 | 110.7 | D400 L401 Y402 E406 L407 L481 L485 R562 | D400-Q404 VanDerWaalsContact O-CG 3.31Å; D400-Q404 WeakPolarHBondContact O-CG 3.41Å; D400-Q404 PolarHBondContact O-NE2 3.4Å; D400-Q404 VanDerWaalsContact O-NE2 3.07Å; L401-Q404 PolarHBondContact O-N 3.31Å; Y402-Q404 VanDerWaalsContact C-N 3.27Å; Y402-Q404 PolarHBondContact O-N 2.89Å; Q404-E406 PolarHBondContact O-N 3.15Å; Q404-L407 HydrophobicContact CB-CB 4.38Å; Q404-L407 HydrophobicContact CB-CD1 3.89Å; Q404-L407 HydrophobicContact CB-CG 3.98Å; Q404-L407 HydrophobicContact CG-CD1 4.31Å; Q404-L407 PolarHBondContact O-N 3.44Å; Q404-L407 VanDerWaalsContact O-N 3.16Å; Q404-L481 HydrophobicContact CG-CD2 3.88Å; Q404-L481 HydrophobicContact CG-CG 4.25Å; Q404-L485 HydrophobicContact CB-CD1 3.96Å; Q404-L485 HydrophobicContact CG-CD1 3.54Å; Q404-R562 PolarHBondContact O-NH1 3.08Å | ||
| 405 | A | 61 | Low | 62.4 | Low | 69 Ų | 69 | 62.4 Ų | 62.4 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -62.5 | -29 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | A403 L407 N408 | A403-A405 PolarHBondContact O-N 3.1Å; A405-L407 PolarHBondContact O-N 3.3Å; A405-L407 VanDerWaalsContact O-N 3.16Å; A405-N408 WeakPolarHBondContact O-CB 3.48Å; A405-N408 PolarHBondContact O-N 2.97Å |
| 406 | E | 59 | Low | 59.5 | Low | 106 Ų | 106 | 67.2 Ų | 67.2 | 50% | 0.495 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -62.4 | -20.3 | 175.9 | -63.1 | -179 | 173.5 | 0 | 0 | 113.4 | Q404 Y508 | Q404-E406 PolarHBondContact O-N 3.15Å; E406-Y508 PolarHBondContact O-OH 3.16Å |
| 407 | L | 61.8 | Low | 56.5 | Low | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -96 | 1.8 | 174.9 | -57.5 | 176.7 | 0 | 0 | 0 | 112.2 | L401 Q404 A405 R562 R565 | L401-L407 HydrophobicContact CD1-CD1 3.46Å; L401-L407 VanDerWaalsContact CD1-CD1 3.46Å; L401-L407 HydrophobicContact CG-CD1 4.41Å; Q404-L407 HydrophobicContact CB-CB 4.38Å; Q404-L407 HydrophobicContact CB-CD1 3.89Å; Q404-L407 HydrophobicContact CB-CG 3.98Å; Q404-L407 HydrophobicContact CG-CD1 4.31Å; Q404-L407 PolarHBondContact O-N 3.44Å; Q404-L407 VanDerWaalsContact O-N 3.16Å; A405-L407 PolarHBondContact O-N 3.3Å; A405-L407 VanDerWaalsContact O-N 3.16Å; L407-R562 HydrophobicContact CB-CG 4.3Å; L407-R565 HydrophobicContact CD2-CB 3.64Å; L407-R565 WeakPolarHBondContact O-CD 3.26Å; L407-R565 PolarHBondContact O-NH1 3.23Å |
| 408 | N | 58.3 | Low | 53.3 | Low | 65 Ų | 65 | 73.3 Ų | 73.3 | 35% | 0.348 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -76.9 | 148.1 | 169.1 | -63.3 | -17.4 | 0 | 0 | 0 | 109.2 | A405 R562 | A405-N408 WeakPolarHBondContact O-CB 3.48Å; A405-N408 PolarHBondContact O-N 2.97Å; N408-R562 PolarHBondContact OD1-NH1 3.25Å; N408-R562 PolarHBondContact OD1-NH2 3.32Å |
| 409 | L | 51.1 | Low | 50.2 | Low | 97 Ų | 97 | 79 Ų | 79 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | trans | -56.8 | 143.4 | 165.2 | -77.6 | 157.8 | 0 | 0 | 0 | 108.4 | E411 T624 | L409-E411 PolarHBondContact O-N 3.47Å; L409-T624 HydrophobicContact CD2-CG2 4.15Å | ||
| 410 | P | 40.1 | Very low | 47.2 | Very low | 94 Ų | 94 | 84.5 Ų | 84.5 | 61% | 0.61 | 54% | 0.535 | S | S | * | . | trans | -56.1 | 115.4 | 162.2 | -12.6 | 25.8 | 0 | 0 | 0 | 106.3 | L412 | P410-L412 PolarHBondContact O-N 3.31Å; P410-L412 VanDerWaalsContact O-N 3.12Å | ||
| 411 | E | 29.2 | Very low | 44.5 | Very low | 185 Ų | 185 | 89.8 Ų | 89.8 | 86% | 0.864 | 57% | 0.572 | S | S | * | * | trans | -49.2 | 125.2 | 170.9 | -73.1 | 176.9 | 166.1 | 0 | 0 | 107.2 | L409 S413 | L409-E411 PolarHBondContact O-N 3.47Å; E411-S413 PolarHBondContact O-N 3.32Å | ||
| 412 | L | 28.9 | Very low | 41.5 | Very low | 173 Ų | 173 | 96.9 Ų | 96.9 | 91% | 0.906 | 62% | 0.616 | S | S | * | * | trans | -51.9 | 98.8 | 169.1 | -78.3 | 154.4 | 0 | 0 | 0 | 106.2 | P410 A414 | P410-L412 PolarHBondContact O-N 3.31Å; P410-L412 VanDerWaalsContact O-N 3.12Å; L412-A414 VanDerWaalsContact C-N 3.33Å; L412-A414 PolarHBondContact O-N 3.19Å | ||
| 413 | S | 26.7 | Very low | 38.8 | Very low | 102 Ų | 102 | 98.7 Ų | 98.7 | 71% | 0.713 | 65% | 0.646 | S | S | * | * | trans | -52.9 | 108.2 | 165.3 | 50.5 | 0 | 0 | 0 | 0 | 105.1 | E411 S415 | E411-S413 PolarHBondContact O-N 3.32Å; S413-S415 PolarHBondContact O-N 3.26Å | ||
| 414 | A | 26.2 | Very low | 36.2 | Very low | 97 Ų | 97 | 104.9 Ų | 104.9 | 80% | 0.802 | 67% | 0.667 | S | S | * | * | trans | -51.6 | 90.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 106 | L412 E416 | L412-A414 VanDerWaalsContact C-N 3.33Å; L412-A414 PolarHBondContact O-N 3.19Å; A414-E416 PolarHBondContact O-N 2.67Å; A414-E416 VanDerWaalsContact O-N 3.09Å | ||
| 415 | S | 26.5 | Very low | 33.6 | Very low | 105 Ų | 105 | 110.4 Ų | 110.4 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | trans | -79.7 | 86.2 | 164.2 | 36.1 | 0 | 0 | 0 | 0 | 103.8 | S413 G417 | S413-S415 PolarHBondContact O-N 3.26Å; S415-G417 PolarHBondContact O-N 3.26Å | ||
| 416 | E | 26 | Very low | 31.9 | Very low | 187 Ų | 187 | 115 Ų | 115 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | trans | -50.8 | 97.5 | 148.1 | -71.8 | -175.2 | 158.6 | 0 | 0 | 106.7 | A414 G418 | A414-E416 PolarHBondContact O-N 2.67Å; A414-E416 VanDerWaalsContact O-N 3.09Å; E416-G418 PolarHBondContact O-N 3.08Å | ||
| 417 | G | 24.6 | Very low | 30.1 | Very low | 72 Ų | 72 | 115 Ų | 115 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | trans | -64.5 | 110.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | S415 | S415-G417 PolarHBondContact O-N 3.26Š| ||
| 418 | G | 23.1 | Very low | 28.4 | Very low | 69 Ų | 69 | 121 Ų | 121 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | 45.2 | 105.9 | 141.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | E416 | E416-G418 PolarHBondContact O-N 3.08Š| ||
| 419 | S | 24.4 | Very low | 26.7 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -143.7 | 104.9 | 140 | -68 | 0 | 0 | 0 | 0 | 109 | S421 | S419-S421 PolarHBondContact O-N 3.36Š| ||
| 420 | S | 22.6 | Very low | 25.4 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -55.4 | 117 | 163.2 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 421 | S | 25.2 | Very low | 24.7 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -172 | 127.2 | 136 | 37.9 | 0 | 0 | 0 | 0 | 111.9 | S419 | S419-S421 PolarHBondContact O-N 3.36Š| ||
| 422 | T | 21.8 | Very low | 24.3 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | trans | -39.4 | 132.8 | 163.9 | 40.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 423 | G | 25 | Very low | 24 | Very low | 78 Ų | 78 | 121.9 Ų | 121.9 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -179.3 | 118.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 424 | H | 22.1 | Very low | 24 | Very low | 175 Ų | 175 | 123.4 Ų | 123.4 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -70.2 | 149.4 | -176.7 | -89.8 | -92.4 | 0 | 0 | 0 | 115.4 | ||||
| 425 | L | 21.8 | Very low | 23.9 | Very low | 137 Ų | 137 | 126 Ų | 126 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | trans | 69.1 | 138.1 | 138 | -74.2 | 159.2 | 0 | 0 | 0 | 122 | ||||
| 426 | H | 24.9 | Very low | 23.8 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | 85.7 | 98.5 | 159.2 | -72.3 | -65.8 | 0 | 0 | 0 | 120.6 | ||||
| 427 | S | 21.9 | Very low | 23.9 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | 16.1 | 113.6 | 122.8 | -178.1 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 428 | T | 25.2 | Very low | 23.9 | Very low | 131 Ų | 131 | 130 Ų | 130 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | -155.1 | 119.4 | 124 | 43.6 | 0 | 0 | 0 | 0 | 109.7 | T430 | T428-T430 PolarHBondContact O-N 3.12Š| |||
| 429 | N | 22.8 | Very low | 24.1 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -59.7 | 125.4 | 166.1 | -72.6 | -34.4 | 0 | 0 | 0 | 110.5 | ||||
| 430 | T | 24.4 | Very low | 24.3 | Very low | 127 Ų | 127 | 131 Ų | 131 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -150.7 | 120 | 144.4 | -49.2 | 0 | 0 | 0 | 0 | 108.4 | T428 C432 | T428-T430 PolarHBondContact O-N 3.12Å; T430-C432 PolarHBondContact O-N 3.41Å | ||
| 431 | P | 25.1 | Very low | 24.6 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -80.2 | 121.2 | -173.3 | 31.1 | -31.4 | 0 | 0 | 0 | 110.5 | A433 | P431-A433 PolarHBondContact O-N 2.72Å; P431-A433 VanDerWaalsContact O-N 3.12Å | ||
| 432 | C | 20.3 | Very low | 24.7 | Very low | 130 Ų | 130 | 129 Ų | 129 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | trans | -66 | 110.1 | 168.6 | -98 | 0 | 0 | 0 | 0 | 109.4 | T430 T434 | T430-C432 PolarHBondContact O-N 3.41Å; C432-T434 PolarHBondContact O-N 3.22Å | ||
| 433 | A | 23.8 | Very low | 25.3 | Very low | 97 Ų | 97 | 124.8 Ų | 124.8 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -58.3 | 113.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P431 N435 | P431-A433 PolarHBondContact O-N 2.72Å; P431-A433 VanDerWaalsContact O-N 3.12Å; A433-N435 PolarHBondContact O-N 3Å | ||
| 434 | T | 26.1 | Very low | 25.9 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -71.8 | 113.1 | 159.7 | 31 | 0 | 0 | 0 | 0 | 108.7 | C432 Q436 | C432-T434 PolarHBondContact O-N 3.22Å; T434-Q436 PolarHBondContact O-N 2.9Å | ||
| 435 | N | 24.7 | Very low | 26.9 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -0.1 | 99 | 164.3 | -70.3 | -20.6 | 0 | 0 | 0 | 116.3 | A433 H437 | A433-N435 PolarHBondContact O-N 3Å; N435-H437 PolarHBondContact O-N 3.22Å | ||
| 436 | Q | 24.4 | Very low | 27.5 | Very low | 194 Ų | 194 | 122.6 Ų | 122.6 | 91% | 0.907 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 116.6 | 156.7 | -68.7 | -178.9 | 5.4 | 0 | 0 | 108.3 | T434 G438 | T434-Q436 PolarHBondContact O-N 2.9Å; Q436-G438 PolarHBondContact O-N 2.68Å |
| 437 | H | 28.4 | Very low | 28.3 | Very low | 189 Ų | 189 | 120.5 Ų | 120.5 | 88% | 0.875 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 132 | 165 | -78.9 | -85.3 | 0 | 0 | 0 | 110.3 | N435 | N435-H437 PolarHBondContact O-N 3.22Š|
| 438 | G | 24.5 | Very low | 29.2 | Very low | 65 Ų | 65 | 117.4 Ų | 117.4 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 167 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q436 | Q436-G438 PolarHBondContact O-N 2.68Š|
| 439 | P | 27.1 | Very low | 30.1 | Very low | 140 Ų | 140 | 113.3 Ų | 113.3 | 91% | 0.909 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -79.9 | 137.7 | -168.1 | 32.8 | -32.3 | 0 | 0 | 0 | 111.3 | ||
| 440 | G | 28 | Very low | 30.7 | Very low | 70 Ų | 70 | 111.9 Ų | 111.9 | 72% | 0.722 | 68% | 0.677 | S | S | * | * | trans | 142.1 | -1.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 441 | V | 29.4 | Very low | 31.6 | Very low | 130 Ų | 130 | 111.4 Ų | 111.4 | 79% | 0.788 | 67% | 0.669 | S | S | * | * | trans | -128 | 110.1 | 174.5 | -172.2 | 0 | 0 | 0 | 0 | 110.7 | S443 | V441-S443 PolarHBondContact O-N 2.69Š| ||
| 442 | P | 27.9 | Very low | 32.9 | Very low | 63 Ų | 63 | 106.4 Ų | 106.4 | 41% | 0.409 | 64% | 0.64 | S | S | . | * | trans | -65.5 | 133.8 | 179.5 | 23.1 | -29.8 | 0 | 0 | 0 | 110.6 | E446 K447 | P442-E446 WeakPolarHBondContact CA-OE2 3.13Å; P442-E446 HydrophobicContact CB-CB 3.81Å; P442-K447 HydrophobicContact CB-CG 4.46Å; P442-K447 HydrophobicContact CG-CG 4.19Å | ||
| 443 | S | 33.4 | Very low | 34.5 | Very low | 60 Ų | 60 | 101 Ų | 101 | 42% | 0.42 | 60% | 0.602 | S | S | . | * | trans | -57.9 | 155.7 | 176.2 | 65 | 0 | 0 | 0 | 0 | 110.9 | V441 A445 E446 K447 | V441-S443 PolarHBondContact O-N 2.69Å; S443-A445 PolarHBondContact O-N 2.78Å; S443-E446 PolarHBondContact N-OE2 2.77Å; S443-E446 WeakPolarHBondContact O-CA 2.91Å; S443-E446 WeakPolarHBondContact O-CB 3.41Å; S443-E446 PolarHBondContact O-N 2.75Å; S443-E446 PolarHBondContact OG-N 2.81Å; S443-E446 PolarHBondContact OG-OE2 3.13Å; S443-K447 PolarHBondContact O-N 3.31Å | ||
| 444 | K | 38.5 | Very low | 36 | Very low | 180 Ų | 180 | 97.1 Ų | 97.1 | 78% | 0.783 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -54.3 | -28.7 | 179.2 | -164.2 | 172.7 | -174.9 | 170.8 | 0 | 112.7 | L448 | K444-L448 WeakPolarHBondContact O-CD1 3.38Å; K444-L448 VanDerWaalsContact O-CG 3.25Å; K444-L448 WeakPolarHBondContact O-CG 3.2Å; K444-L448 PolarHBondContact O-N 3.45Å |
| 445 | A | 41.9 | Very low | 37.3 | Very low | 61 Ų | 61 | 91.1 Ų | 91.1 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70 | -40.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | S443 L448 A449 | S443-A445 PolarHBondContact O-N 2.78Å; A445-L448 PolarHBondContact O-N 2.89Å; A445-A449 PolarHBondContact O-N 3.25Å |
| 446 | E | 35 | Very low | 38.1 | Very low | 104 Ų | 104 | 89 Ų | 89 | 49% | 0.486 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.6 | -40.6 | 174.4 | -73.9 | 166.3 | 138.2 | 0 | 0 | 111.8 | P442 S443 L448 A449 V450 | P442-E446 WeakPolarHBondContact CA-OE2 3.13Å; P442-E446 HydrophobicContact CB-CB 3.81Å; S443-E446 PolarHBondContact N-OE2 2.77Å; S443-E446 WeakPolarHBondContact O-CA 2.91Å; S443-E446 WeakPolarHBondContact O-CB 3.41Å; S443-E446 PolarHBondContact O-N 2.75Å; S443-E446 PolarHBondContact OG-N 2.81Å; S443-E446 PolarHBondContact OG-OE2 3.13Å; E446-L448 PolarHBondContact O-N 2.99Å; E446-A449 PolarHBondContact O-N 3.37Å; E446-A449 VanDerWaalsContact O-N 3.16Å; E446-V450 VanDerWaalsContact O-CG2 3.26Å; E446-V450 WeakPolarHBondContact O-CG2 3.34Å; E446-V450 PolarHBondContact O-N 3Å |
| 447 | K | 40.7 | Very low | 38.6 | Very low | 120 Ų | 120 | 87.2 Ų | 87.2 | 52% | 0.522 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.8 | -35.4 | 172.9 | -71.1 | -174.2 | -178.7 | -179.7 | 0 | 112.2 | P442 S443 L451 | P442-K447 HydrophobicContact CB-CG 4.46Å; P442-K447 HydrophobicContact CG-CG 4.19Å; S443-K447 PolarHBondContact O-N 3.31Å; K447-L451 WeakPolarHBondContact O-CG 3.25Å; K447-L451 PolarHBondContact O-N 3.41Å |
| 448 | L | 41.6 | Very low | 38.7 | Very low | 41 Ų | 41 | 83 Ų | 83 | 22% | 0.215 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -77 | -31.9 | 176.6 | -72 | 169.3 | 0 | 0 | 0 | 113.3 | K444 A445 E446 L451 L453 L454 | K444-L448 WeakPolarHBondContact O-CD1 3.38Å; K444-L448 VanDerWaalsContact O-CG 3.25Å; K444-L448 WeakPolarHBondContact O-CG 3.2Å; K444-L448 PolarHBondContact O-N 3.45Å; A445-L448 PolarHBondContact O-N 2.89Å; E446-L448 PolarHBondContact O-N 2.99Å; L448-L451 PolarHBondContact O-N 3.37Å; L448-L453 HydrophobicContact CD2-CD1 3.71Å; L448-L453 PolarHBondContact O-N 2.97Å; L448-L454 HydrophobicContact CB-CD1 4.29Å |
| 449 | A | 43.7 | Very low | 38.7 | Very low | 44 Ų | 44 | 91.6 Ų | 91.6 | 36% | 0.364 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A445 E446 L451 G452 | A445-A449 PolarHBondContact O-N 3.25Å; E446-A449 PolarHBondContact O-N 3.37Å; E446-A449 VanDerWaalsContact O-N 3.16Å; A449-L451 VanDerWaalsContact C-N 3.27Å; A449-L451 PolarHBondContact O-N 3.39Å; A449-G452 PolarHBondContact O-N 2.97Å |
| 450 | V | 36.3 | Very low | 38.6 | Very low | 128 Ų | 128 | 93.6 Ų | 93.6 | 78% | 0.776 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.3 | -29 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | E446 G452 | E446-V450 VanDerWaalsContact O-CG2 3.26Å; E446-V450 WeakPolarHBondContact O-CG2 3.34Å; E446-V450 PolarHBondContact O-N 3Å; V450-G452 PolarHBondContact O-N 3.15Å |
| 451 | L | 43.9 | Very low | 38.3 | Very low | 118 Ų | 118 | 93.9 Ų | 93.9 | 62% | 0.618 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 5 | 173.8 | -71.8 | 170.9 | 0 | 0 | 0 | 114.1 | K447 L448 A449 L453 | K447-L451 WeakPolarHBondContact O-CG 3.25Å; K447-L451 PolarHBondContact O-N 3.41Å; L448-L451 PolarHBondContact O-N 3.37Å; A449-L451 VanDerWaalsContact C-N 3.27Å; A449-L451 PolarHBondContact O-N 3.39Å; L451-L453 HydrophobicContact CB-CD1 4.09Å; L451-L453 HydrophobicContact CB-CG 4.18Å; L451-L453 HydrophobicContact CD1-CD1 4.48Å; L451-L453 PolarHBondContact O-N 3.35Å |
| 452 | G | 50.9 | Low | 38 | Very low | 15 Ų | 15 | 91.6 Ų | 91.6 | 16% | 0.155 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 16.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N267 A449 V450 | N267-G452 PolarHBondContact ND2-O 3.47Å; A449-G452 PolarHBondContact O-N 2.97Å; V450-G452 PolarHBondContact O-N 3.15Å |
| 453 | L | 54.3 | Low | 37.8 | Very low | 15 Ų | 15 | 94.5 Ų | 94.5 | 8% | 0.079 | 55% | 0.551 | C | S | . | * | S | Bend | trans | -83.2 | -23.7 | -177.5 | -70.8 | 170.6 | 0 | 0 | 0 | 113 | L264 L387 L448 L451 | L264-L453 HydrophobicContact CD1-CD2 3.43Å; L264-L453 VanDerWaalsContact CD1-CD2 3.43Å; L264-L453 HydrophobicContact CG-CD2 4.2Å; L387-L453 HydrophobicContact CD2-CB 4.47Å; L448-L453 HydrophobicContact CD2-CD1 3.71Å; L448-L453 PolarHBondContact O-N 2.97Å; L451-L453 HydrophobicContact CB-CD1 4.09Å; L451-L453 HydrophobicContact CB-CG 4.18Å; L451-L453 HydrophobicContact CD1-CD1 4.48Å; L451-L453 PolarHBondContact O-N 3.35Å |
| 454 | L | 54.3 | Low | 37.4 | Very low | 17 Ų | 17 | 103.5 Ų | 103.5 | 9% | 0.089 | 58% | 0.576 | C | S | . | * | S | Bend | trans | -132.1 | 143.9 | -179.3 | -68.7 | 175 | 0 | 0 | 0 | 109.9 | L321 L387 L448 | L321-L454 HydrophobicContact CD1-CD2 4.07Å; L387-L454 HydrophobicContact CD2-CD2 4.25Å; L448-L454 HydrophobicContact CB-CD1 4.29Å |
| 455 | P | 54.8 | Low | 36.8 | Very low | 7 Ų | 7 | 99.1 Ų | 99.1 | 5% | 0.045 | 57% | 0.568 | C | S | . | * | trans | -65.6 | 146.9 | 174.8 | 24.9 | -31.3 | 0 | 0 | 0 | 110.8 | Y274 L322 | Y274-P455 HydrophobicContact CD2-CB 4.48Å; Y274-P455 HydrophobicContact CE2-CB 3.87Å; L322-P455 HydrophobicContact CD2-CG 4.49Å | ||
| 456 | P | 40.9 | Very low | 36.1 | Very low | 107 Ų | 107 | 103.6 Ų | 103.6 | 70% | 0.695 | 59% | 0.589 | S | S | * | * | trans | -60.5 | 142.4 | 175.5 | 23.7 | -31.1 | 0 | 0 | 0 | 110.9 | S458 | P456-S458 PolarHBondContact O-N 3.1Š| ||
| 457 | I | 35.4 | Very low | 35.7 | Very low | 157 Ų | 157 | 100.9 Ų | 100.9 | 81% | 0.805 | 59% | 0.589 | S | S | * | * | trans | -71.4 | 95.6 | -178.2 | -57.9 | 169.4 | 0 | 0 | 0 | 108.7 | R459 | I457-R459 PolarHBondContact O-N 2.67Š| ||
| 458 | S | 30 | Very low | 35.4 | Very low | 100 Ų | 100 | 100.8 Ų | 100.8 | 70% | 0.699 | 60% | 0.604 | S | S | * | * | trans | -76.5 | 111.1 | 170.8 | -68.9 | 0 | 0 | 0 | 0 | 110 | P456 M460 | P456-S458 PolarHBondContact O-N 3.1Å; S458-M460 VanDerWaalsContact C-N 3.28Å; S458-M460 PolarHBondContact O-N 2.98Å | ||
| 459 | R | 24.8 | Very low | 35 | Very low | 246 Ų | 246 | 103.1 Ų | 103.1 | 93% | 0.928 | 62% | 0.616 | S | S | * | * | trans | -68.2 | 83.7 | 166 | -70.6 | -178.5 | 178.4 | -178.1 | -0.5 | 109 | I457 | I457-R459 PolarHBondContact O-N 2.67Š| ||
| 460 | M | 24.2 | Very low | 34.8 | Very low | 183 Ų | 183 | 108.4 Ų | 108.4 | 90% | 0.901 | 64% | 0.637 | S | S | * | * | trans | -81.2 | 132.4 | 167.4 | -91.6 | -75.2 | -122.6 | 0 | 0 | 109.2 | S458 | S458-M460 VanDerWaalsContact C-N 3.28Å; S458-M460 PolarHBondContact O-N 2.98Å | ||
| 461 | G | 22 | Very low | 35.2 | Very low | 75 Ų | 75 | 107.4 Ų | 107.4 | 77% | 0.773 | 63% | 0.627 | S | S | * | * | trans | -85.8 | 156.3 | -162 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 462 | G | 22.8 | Very low | 35.1 | Very low | 83 Ų | 83 | 104.3 Ų | 104.3 | 86% | 0.856 | 62% | 0.624 | S | S | * | * | trans | 87.1 | 101.3 | 140.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 463 | S | 25.2 | Very low | 35 | Very low | 123 Ų | 123 | 106.5 Ų | 106.5 | 86% | 0.86 | 63% | 0.628 | S | S | * | * | -175.7 | 142.5 | 113.7 | -167.6 | 0 | 0 | 0 | 0 | 110.4 | S465 | S463-S465 PolarHBondContact O-N 3Š| |||
| 464 | R | 23.3 | Very low | 34.7 | Very low | 249 Ų | 249 | 107.6 Ų | 107.6 | 94% | 0.94 | 64% | 0.642 | S | S | * | * | trans | -71.4 | 106.5 | 179.3 | -72.3 | 172.1 | 168.7 | 173 | -4.8 | 109.8 | ||||
| 465 | S | 26.8 | Very low | 34.4 | Very low | 89 Ų | 89 | 116 Ų | 116 | 62% | 0.622 | 68% | 0.681 | S | S | * | * | trans | -129 | 120.7 | 161 | 133.9 | 0 | 0 | 0 | 0 | 108.6 | S463 G467 | S463-S465 PolarHBondContact O-N 3Å; S465-G467 PolarHBondContact O-N 2.88Å | ||
| 466 | T | 26.3 | Very low | 34.5 | Very low | 154 Ų | 154 | 118.3 Ų | 118.3 | 95% | 0.945 | 69% | 0.689 | S | S | * | * | trans | -74.3 | 93.9 | 179.6 | 45.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 467 | G | 27 | Very low | 35.3 | Very low | 47 Ų | 47 | 114.4 Ų | 114.4 | 49% | 0.485 | 66% | 0.663 | S | S | . | * | S | Bend | trans | 159.9 | 104.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S465 D469 | S465-G467 PolarHBondContact O-N 2.88Å; G467-D469 VanDerWaalsContact C-N 3.32Å; G467-D469 PolarHBondContact O-N 2.87Å |
| 468 | S | 35.3 | Very low | 36.8 | Very low | 119 Ų | 119 | 109 Ų | 109 | 83% | 0.832 | 63% | 0.632 | S | S | * | * | trans | 40.5 | 28.8 | 157.6 | 77.8 | 0 | 0 | 0 | 0 | 121.2 | I470 | S468-I470 PolarHBondContact O-N 3.48Š| ||
| 469 | D | 33.7 | Very low | 38.4 | Very low | 89 Ų | 89 | 110.5 Ų | 110.5 | 48% | 0.476 | 63% | 0.628 | S | S | . | * | trans | -87.7 | 46.9 | 175.2 | -113.9 | -20.7 | 0 | 0 | 0 | 112.1 | G467 D471 G472 G474 | G467-D469 VanDerWaalsContact C-N 3.32Å; G467-D469 PolarHBondContact O-N 2.87Å; D469-D471 PolarHBondContact O-N 2.97Å; D469-D471 VanDerWaalsContact O-N 3.09Å; D469-G472 PolarHBondContact O-N 3.35Å; D469-G474 PolarHBondContact OD1-N 3.02Å | ||
| 470 | I | 38.1 | Very low | 40.5 | Very low | 156 Ų | 156 | 100.3 Ų | 100.3 | 80% | 0.8 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -25.6 | -177.1 | -70.1 | 175.1 | 0 | 0 | 0 | 112.1 | S468 | S468-I470 PolarHBondContact O-N 3.48Š|
| 471 | D | 44.6 | Very low | 43 | Very low | 106 Ų | 106 | 91.6 Ų | 91.6 | 57% | 0.567 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.5 | 8 | -175.8 | -66.5 | -32 | 0 | 0 | 0 | 115.6 | D469 Y473 | D469-D471 PolarHBondContact O-N 2.97Å; D469-D471 VanDerWaalsContact O-N 3.09Å; D471-Y473 VanDerWaalsContact C-N 3.32Å; D471-Y473 HydrophobicContact CB-CD2 3.35Å; D471-Y473 HydrophobicContact CB-CE2 3.28Å; D471-Y473 HydrophobicContact CB-CG 4.44Å; D471-Y473 PolarHBondContact O-N 3.43Å |
| 472 | G | 43.2 | Very low | 45.6 | Very low | 53 Ų | 53 | 89.4 Ų | 89.4 | 55% | 0.546 | 53% | 0.53 | S | S | . | . | S | Bend | trans | 64.8 | 27.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | D469 | D469-G472 PolarHBondContact O-N 3.35Š|
| 473 | Y | 48.9 | Very low | 48.2 | Very low | 62 Ų | 62 | 88.4 Ų | 88.4 | 24% | 0.243 | 51% | 0.505 | C | S | . | . | trans | -95.7 | -9.5 | -176.2 | -67.3 | -58.9 | 0 | 0 | 0 | 115 | L396 D471 H475 R476 | L396-Y473 HydrophobicContact CD2-CE1 3.97Å; D471-Y473 VanDerWaalsContact C-N 3.32Å; D471-Y473 HydrophobicContact CB-CD2 3.35Å; D471-Y473 HydrophobicContact CB-CE2 3.28Å; D471-Y473 HydrophobicContact CB-CG 4.44Å; D471-Y473 PolarHBondContact O-N 3.43Å; Y473-H475 PolarHBondContact O-N 3.21Å; Y473-R476 PolarHBondContact O-N 2.85Å | ||
| 474 | G | 46.6 | Very low | 50.8 | Low | 37 Ų | 37 | 82.9 Ų | 82.9 | 38% | 0.381 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -51.1 | -36.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | D469 R476 | D469-G474 PolarHBondContact OD1-N 3.02Å; G474-R476 VanDerWaalsContact C-N 3.29Å; G474-R476 PolarHBondContact O-N 3.37Å |
| 475 | H | 49.3 | Very low | 53.4 | Low | 194 Ų | 194 | 71.4 Ų | 71.4 | 90% | 0.898 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -76.5 | -6.2 | 178.3 | -67.4 | -64.9 | 0 | 0 | 0 | 115.2 | Y473 | Y473-H475 PolarHBondContact O-N 3.21Š|
| 476 | R | 56.1 | Low | 55.8 | Low | 56 Ų | 56 | 73.6 Ų | 73.6 | 21% | 0.211 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -107.4 | 0.2 | -175.4 | -58.1 | -176.3 | -174.1 | -166.2 | -7.6 | 113.6 | T324 D325 A328 L396 Y473 G474 R478 | T324-R476 VanDerWaalsContact CB-NH1 3.32Å; T324-R476 PolarHBondContact OG1-NH1 2.85Å; T324-R476 PolarHBondContact OG1-NH2 2.99Å; T324-R476 VanDerWaalsContact OG1-NH2 3.08Å; D325-R476 IonicContact OD1-CZ 3.36Å; D325-R476 IonicContact OD1-NE 3.36Å; D325-R476 PolarHBondContact OD1-NE 3.29Å; D325-R476 IonicContact OD1-NH2 3.23Å; D325-R476 PolarHBondContact OD1-NH2 3.36Å; A328-R476 HydrophobicContact CB-CB 3.91Å; A328-R476 HydrophobicContact CB-CG 4.12Å; L396-R476 VanDerWaalsContact CD2-NH1 3.32Å; Y473-R476 PolarHBondContact O-N 2.85Å; G474-R476 VanDerWaalsContact C-N 3.29Å; G474-R476 PolarHBondContact O-N 3.37Å; R476-R478 PolarHBondContact O-N 2.67Å |
| 477 | V | 57.5 | Low | 58.2 | Low | 25 Ų | 25 | 71.6 Ų | 71.6 | 15% | 0.152 | 40% | 0.397 | C | S | . | . | trans | -77.1 | 118.2 | -176 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | A403 H479 | A403-V477 HydrophobicContact CB-CB 4.1Å; A403-V477 HydrophobicContact CB-CG1 3.57Å; A403-V477 HydrophobicContact CB-CG2 3.32Å; V477-H479 PolarHBondContact O-N 2.85Å | ||
| 478 | R | 67.1 | Low | 60.5 | Low | 43 Ų | 43 | 69.5 Ų | 69.5 | 16% | 0.162 | 38% | 0.375 | C | S | . | . | trans | -81.3 | 113.1 | 173.2 | -55.8 | 153.5 | -74.7 | -173.9 | -9.1 | 106.9 | C331 L397 D400 R476 G480 | C331-R478 PolarHBondContact SG-NH1 3.24Å; L397-R478 PolarHBondContact O-NH2 3.08Å; D400-R478 WeakPolarHBondContact OD1-CA 2.83Å; D400-R478 VanDerWaalsContact OD1-CB 3.26Å; D400-R478 WeakPolarHBondContact OD1-CB 3.26Å; D400-R478 IonicContact OD1-CZ 2.77Å; D400-R478 PolarHBondContact OD1-N 3.29Å; D400-R478 IonicContact OD1-NE 2.64Å; D400-R478 PolarHBondContact OD1-NE 2.99Å; D400-R478 IonicContact OD1-NH2 2.68Å; D400-R478 PolarHBondContact OD1-NH2 3.03Å; D400-R478 WeakPolarHBondContact OD2-CB 3.49Å; D400-R478 IonicContact OD2-CZ 3.67Å; D400-R478 VanDerWaalsContact OD2-CZ 3.3Å; D400-R478 IonicContact OD2-NE 3.5Å; D400-R478 PolarHBondContact OD2-NE 3.44Å; D400-R478 IonicContact OD2-NH2 3.89Å; D400-R478 PolarHBondContact OD2-NH2 3.46Å; R476-R478 PolarHBondContact O-N 2.67Å; R478-G480 PolarHBondContact O-N 3.29Å | ||
| 479 | H | 63.4 | Low | 62.2 | Low | 131 Ų | 131 | 65.6 Ų | 65.6 | 61% | 0.606 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 1.5 | -172.8 | -60.9 | -67.9 | 0 | 0 | 0 | 115.8 | V477 S482 N483 | V477-H479 PolarHBondContact O-N 2.85Å; H479-S482 VanDerWaalsContact C-OG 3.3Å; H479-S482 VanDerWaalsContact CA-OG 3.24Å; H479-S482 WeakPolarHBondContact CA-OG 3.15Å; H479-S482 PolarHBondContact O-N 3.35Å; H479-S482 PolarHBondContact O-OG 2.96Å; H479-N483 WeakPolarHBondContact O-CB 3.36Å; H479-N483 PolarHBondContact O-N 3.4Å; H479-N483 PolarHBondContact O-ND2 3.08Å |
| 480 | G | 69.4 | Low | 64.1 | Low | 33 Ų | 33 | 65.5 Ų | 65.5 | 34% | 0.34 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R478 N483 F484 | R478-G480 PolarHBondContact O-N 3.29Å; G480-N483 PolarHBondContact O-N 3.02Å; G480-F484 PolarHBondContact O-N 3.08Å; G480-F484 VanDerWaalsContact O-N 3.07Å |
| 481 | L | 76 | Confident | 65.5 | Low | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.6 | -40.8 | 178.8 | -172.2 | 63.2 | 0 | 0 | 0 | 112.2 | D400 L401 Q404 N483 F484 L485 P526 L529 L566 | D400-L481 HydrophobicContact CB-CB 4.07Å; D400-L481 HydrophobicContact CB-CD2 4.2Å; L401-L481 HydrophobicContact CB-CD2 4.23Å; L401-L481 HydrophobicContact CD1-CD2 3.97Å; Q404-L481 HydrophobicContact CG-CD2 3.88Å; Q404-L481 HydrophobicContact CG-CG 4.25Å; L481-N483 VanDerWaalsContact C-N 3.29Å; L481-N483 PolarHBondContact O-N 3.46Å; L481-F484 HydrophobicContact CD1-CD1 4.11Å; L481-F484 WeakPolarHBondContact O-CB 3.46Å; L481-F484 PolarHBondContact O-N 3.31Å; L481-L485 HydrophobicContact CG-CD1 4.3Å; L481-L485 HydrophobicContact CG-CG 4.46Å; L481-L485 WeakPolarHBondContact O-CG 3.3Å; L481-L485 PolarHBondContact O-N 2.93Å; L481-P526 HydrophobicContact CB-CG 4.13Å; L481-P526 HydrophobicContact CD1-CG 4.04Å; L481-L529 HydrophobicContact CD1-CD2 4.25Å; L481-L566 HydrophobicContact CD1-CD1 4.02Å; L481-L566 HydrophobicContact CD1-CD2 4.27Å |
| 482 | S | 76.3 | Confident | 66.4 | Low | 29 Ų | 29 | 57.7 Ų | 57.7 | 20% | 0.203 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.6 | -36.6 | 176.1 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | H479 R486 | H479-S482 VanDerWaalsContact C-OG 3.3Å; H479-S482 VanDerWaalsContact CA-OG 3.24Å; H479-S482 WeakPolarHBondContact CA-OG 3.15Å; H479-S482 PolarHBondContact O-N 3.35Å; H479-S482 PolarHBondContact O-OG 2.96Å; S482-R486 VanDerWaalsContact O-CB 3.29Å; S482-R486 WeakPolarHBondContact O-CB 3.32Å; S482-R486 PolarHBondContact O-N 3.35Å |
| 483 | N | 77.6 | Confident | 67.2 | Low | 62 Ų | 62 | 56.5 Ų | 56.5 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.2 | -41.6 | 175.6 | -73.2 | -24.5 | 0 | 0 | 0 | 111.6 | H479 G480 L481 R486 Q487 | H479-N483 WeakPolarHBondContact O-CB 3.36Å; H479-N483 PolarHBondContact O-N 3.4Å; H479-N483 PolarHBondContact O-ND2 3.08Å; G480-N483 PolarHBondContact O-N 3.02Å; L481-N483 VanDerWaalsContact C-N 3.29Å; L481-N483 PolarHBondContact O-N 3.46Å; N483-R486 PolarHBondContact O-N 3Å; N483-R486 VanDerWaalsContact OD1-CZ 3.26Å; N483-R486 PolarHBondContact OD1-NH1 2.63Å; N483-R486 PolarHBondContact OD1-NH2 3.29Å; N483-Q487 WeakPolarHBondContact O-CG 3.47Å; N483-Q487 PolarHBondContact O-N 2.79Å |
| 484 | F | 81.1 | Confident | 67.9 | Low | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -48.1 | 175.2 | 172.5 | -100 | 0 | 0 | 0 | 112.1 | G480 L481 R486 Q487 I488 P520 D524 L525 L566 C570 | G480-F484 PolarHBondContact O-N 3.08Å; G480-F484 VanDerWaalsContact O-N 3.07Å; L481-F484 HydrophobicContact CD1-CD1 4.11Å; L481-F484 WeakPolarHBondContact O-CB 3.46Å; L481-F484 PolarHBondContact O-N 3.31Å; F484-R486 VanDerWaalsContact C-N 3.33Å; F484-R486 PolarHBondContact O-N 3.15Å; F484-Q487 WeakPolarHBondContact O-CB 3.46Å; F484-Q487 PolarHBondContact O-N 3.1Å; F484-I488 HydrophobicContact CD1-CD1 3.89Å; F484-I488 HydrophobicContact CE1-CD1 3.28Å; F484-I488 HydrophobicContact CE1-CG1 4.38Å; F484-I488 HydrophobicContact CE2-CD1 4.23Å; F484-I488 HydrophobicContact CZ-CD1 3.48Å; F484-I488 VanDerWaalsContact CZ-CD1 3.48Å; F484-I488 HydrophobicContact CZ-CG1 4.33Å; F484-I488 PolarHBondContact O-N 3.09Å; F484-P520 HydrophobicContact CD2-CB 4.12Å; F484-P520 HydrophobicContact CE2-CB 3.59Å; F484-P520 HydrophobicContact CZ-CB 4.32Å; F484-D524 HydrophobicContact CD2-CB 4.18Å; F484-D524 VanDerWaalsContact CD2-O 3.31Å; F484-D524 WeakPolarHBondContact CD2-O 3.34Å; F484-D524 HydrophobicContact CE2-CB 3.84Å; F484-L525 HydrophobicContact CD1-CD2 4.35Å; F484-L525 HydrophobicContact CE1-CD2 3.73Å; F484-L525 HydrophobicContact CZ-CD2 3.88Å; F484-L525 HydrophobicContact CZ-CG 4.34Å; F484-L566 HydrophobicContact CD1-CD1 4.47Å; F484-L566 HydrophobicContact CE1-CD1 4.01Å; F484-C570 HydrophobicContact CZ-CB 4.32Å |
| 485 | L | 77.3 | Confident | 68.6 | Low | 9 Ų | 9 | 61 Ų | 61 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 176.3 | -70.1 | 177.9 | 0 | 0 | 0 | 112 | Q404 L481 Q487 I488 S489 L566 | Q404-L485 HydrophobicContact CB-CD1 3.96Å; Q404-L485 HydrophobicContact CG-CD1 3.54Å; L481-L485 HydrophobicContact CG-CD1 4.3Å; L481-L485 HydrophobicContact CG-CG 4.46Å; L481-L485 WeakPolarHBondContact O-CG 3.3Å; L481-L485 PolarHBondContact O-N 2.93Å; L485-Q487 VanDerWaalsContact C-N 3.28Å; L485-Q487 PolarHBondContact O-N 3.35Å; L485-I488 HydrophobicContact CD2-CD1 4.35Å; L485-I488 WeakPolarHBondContact O-CB 3.44Å; L485-I488 PolarHBondContact O-N 3.07Å; L485-I488 VanDerWaalsContact O-N 3.15Å; L485-S489 PolarHBondContact O-N 2.89Å; L485-S489 PolarHBondContact O-OG 2.91Å; L485-L566 HydrophobicContact CD2-CD1 4.05Å |
| 486 | R | 77.1 | Confident | 69 | Low | 134 Ų | 134 | 54.8 Ų | 54.8 | 51% | 0.506 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62 | -32.7 | 172.6 | -171.8 | 176.9 | 68.7 | -124.6 | -5.4 | 112.9 | S482 N483 F484 S489 N490 | S482-R486 VanDerWaalsContact O-CB 3.29Å; S482-R486 WeakPolarHBondContact O-CB 3.32Å; S482-R486 PolarHBondContact O-N 3.35Å; N483-R486 PolarHBondContact O-N 3Å; N483-R486 VanDerWaalsContact OD1-CZ 3.26Å; N483-R486 PolarHBondContact OD1-NH1 2.63Å; N483-R486 PolarHBondContact OD1-NH2 3.29Å; F484-R486 VanDerWaalsContact C-N 3.33Å; F484-R486 PolarHBondContact O-N 3.15Å; R486-S489 WeakPolarHBondContact CA-OG 3.4Å; R486-S489 PolarHBondContact O-OG 2.9Å; R486-N490 WeakPolarHBondContact O-CB 3.41Å; R486-N490 PolarHBondContact O-N 3.07Å; R486-N490 PolarHBondContact O-ND2 2.99Å |
| 487 | Q | 76.9 | Confident | 69.1 | Low | 112 Ų | 112 | 55.8 Ų | 55.8 | 52% | 0.523 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -70.8 | -39.6 | 173.9 | -72.7 | 173.9 | -9.9 | 0 | 0 | 111.4 | N483 F484 L485 N490 S491 P520 | N483-Q487 WeakPolarHBondContact O-CG 3.47Å; N483-Q487 PolarHBondContact O-N 2.79Å; F484-Q487 WeakPolarHBondContact O-CB 3.46Å; F484-Q487 PolarHBondContact O-N 3.1Å; L485-Q487 VanDerWaalsContact C-N 3.28Å; L485-Q487 PolarHBondContact O-N 3.35Å; Q487-N490 PolarHBondContact O-N 3.27Å; Q487-S491 PolarHBondContact O-N 3.23Å; Q487-S491 VanDerWaalsContact O-N 3.15Å; Q487-P520 HydrophobicContact CB-CG 3.77Å |
| 488 | I | 74.2 | Confident | 69 | Low | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.9 | -51.2 | 174.3 | -68.4 | 171.3 | 0 | 0 | 0 | 110.4 | F484 L485 N490 S491 Y494 P520 | F484-I488 HydrophobicContact CD1-CD1 3.89Å; F484-I488 HydrophobicContact CE1-CD1 3.28Å; F484-I488 HydrophobicContact CE1-CG1 4.38Å; F484-I488 HydrophobicContact CE2-CD1 4.23Å; F484-I488 HydrophobicContact CZ-CD1 3.48Å; F484-I488 VanDerWaalsContact CZ-CD1 3.48Å; F484-I488 HydrophobicContact CZ-CG1 4.33Å; F484-I488 PolarHBondContact O-N 3.09Å; L485-I488 HydrophobicContact CD2-CD1 4.35Å; L485-I488 WeakPolarHBondContact O-CB 3.44Å; L485-I488 PolarHBondContact O-N 3.07Å; L485-I488 VanDerWaalsContact O-N 3.15Å; I488-N490 PolarHBondContact O-N 3.49Å; I488-S491 VanDerWaalsContact O-CB 3.22Å; I488-S491 WeakPolarHBondContact O-CB 3.3Å; I488-S491 PolarHBondContact O-N 3.39Å; I488-Y494 HydrophobicContact CG2-CD2 3.47Å; I488-Y494 VanDerWaalsContact CG2-CD2 3.47Å; I488-Y494 HydrophobicContact CG2-CE2 3.91Å; I488-Y494 HydrophobicContact CG2-CG 4.07Å; I488-Y494 WeakPolarHBondContact O-CB 3.37Å; I488-P520 HydrophobicContact CG1-CB 4.02Å; I488-P520 HydrophobicContact CG1-CG 3.97Å |
| 489 | S | 71.5 | Confident | 68.2 | Low | 36 Ų | 36 | 66.4 Ų | 66.4 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.4 | -30 | -178.9 | 66.3 | 0 | 0 | 0 | 0 | 113 | L485 R486 | L485-S489 PolarHBondContact O-N 2.89Å; L485-S489 PolarHBondContact O-OG 2.91Å; R486-S489 WeakPolarHBondContact CA-OG 3.4Å; R486-S489 PolarHBondContact O-OG 2.9Å |
| 490 | N | 73 | Confident | 67.3 | Low | 88 Ų | 88 | 66.9 Ų | 66.9 | 47% | 0.471 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -78.4 | -15.6 | 173.9 | -79.3 | -44 | 0 | 0 | 0 | 114.7 | R486 Q487 I488 R495 | R486-N490 WeakPolarHBondContact O-CB 3.41Å; R486-N490 PolarHBondContact O-N 3.07Å; R486-N490 PolarHBondContact O-ND2 2.99Å; Q487-N490 PolarHBondContact O-N 3.27Å; I488-N490 PolarHBondContact O-N 3.49Å; N490-R495 PolarHBondContact O-NE 2.75Å; N490-R495 PolarHBondContact O-NH2 3.5Å; N490-R495 VanDerWaalsContact O-NH2 3.11Å; N490-R495 PolarHBondContact OD1-NH2 2.93Å |
| 491 | S | 67.8 | Low | 65.9 | Low | 15 Ų | 15 | 74.1 Ų | 74.1 | 11% | 0.105 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -65.1 | 138.5 | -179.8 | -179 | 0 | 0 | 0 | 0 | 111.7 | Q487 I488 A493 Y494 R495 | Q487-S491 PolarHBondContact O-N 3.23Å; Q487-S491 VanDerWaalsContact O-N 3.15Å; I488-S491 VanDerWaalsContact O-CB 3.22Å; I488-S491 WeakPolarHBondContact O-CB 3.3Å; I488-S491 PolarHBondContact O-N 3.39Å; S491-A493 PolarHBondContact O-N 2.99Å; S491-A493 PolarHBondContact OG-N 3.16Å; S491-Y494 PolarHBondContact O-N 3.16Å; S491-R495 PolarHBondContact O-N 3.16Å |
| 492 | S | 64 | Low | 64.3 | Low | 83 Ų | 83 | 83.8 Ų | 83.8 | 58% | 0.58 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -56.9 | -38.3 | 173.9 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | R495 A496 | S492-R495 PolarHBondContact O-N 2.9Å; S492-A496 VanDerWaalsContact O-CB 3.26Å; S492-A496 WeakPolarHBondContact O-CB 3.09Å; S492-A496 PolarHBondContact O-N 3.15Å |
| 493 | A | 60.8 | Low | 62.5 | Low | 27 Ų | 27 | 90.8 Ų | 90.8 | 22% | 0.223 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S491 R497 | S491-A493 PolarHBondContact O-N 2.99Å; S491-A493 PolarHBondContact OG-N 3.16Å; A493-R497 WeakPolarHBondContact O-CG 3.47Å; A493-R497 PolarHBondContact O-N 3.33Å |
| 494 | Y | 62.1 | Low | 60.6 | Low | 50 Ų | 50 | 94.9 Ų | 94.9 | 20% | 0.196 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -69.7 | -50.7 | 174.3 | -172.7 | -91 | 0 | 0 | 0 | 110.4 | I488 S491 A496 R497 F498 | I488-Y494 HydrophobicContact CG2-CD2 3.47Å; I488-Y494 VanDerWaalsContact CG2-CD2 3.47Å; I488-Y494 HydrophobicContact CG2-CE2 3.91Å; I488-Y494 HydrophobicContact CG2-CG 4.07Å; I488-Y494 WeakPolarHBondContact O-CB 3.37Å; S491-Y494 PolarHBondContact O-N 3.16Å; Y494-A496 VanDerWaalsContact C-N 3.26Å; Y494-A496 PolarHBondContact O-N 2.72Å; Y494-R497 WeakPolarHBondContact O-CB 3.27Å; Y494-R497 PolarHBondContact O-N 3.45Å; Y494-F498 AromaticContact CD1-CD2 3.67Å; Y494-F498 HydrophobicContact CD1-CD2 3.67Å; Y494-F498 AromaticContact CD1-CE2 3.83Å; Y494-F498 HydrophobicContact CD1-CE2 3.83Å; Y494-F498 HydrophobicContact CD2-CD2 4.39Å; Y494-F498 AromaticContact CD2-CE2 3.86Å; Y494-F498 HydrophobicContact CD2-CE2 3.86Å; Y494-F498 AromaticContact CE1-CD2 3.43Å; Y494-F498 HydrophobicContact CE1-CD2 3.43Å; Y494-F498 VanDerWaalsContact CE1-CD2 3.43Å; Y494-F498 AromaticContact CE1-CE2 3.3Å; Y494-F498 HydrophobicContact CE1-CE2 3.3Å; Y494-F498 HydrophobicContact CE1-CG 4.35Å; Y494-F498 HydrophobicContact CE1-CZ 4.09Å; Y494-F498 HydrophobicContact CE2-CD2 4.21Å; Y494-F498 AromaticContact CE2-CE2 3.37Å; Y494-F498 HydrophobicContact CE2-CE2 3.37Å; Y494-F498 HydrophobicContact CE2-CZ 4.07Å; Y494-F498 HydrophobicContact CG-CD2 4.16Å; Y494-F498 HydrophobicContact CG-CE2 4.09Å; Y494-F498 AromaticContact CZ-CD2 3.73Å; Y494-F498 AromaticContact CZ-CE2 3.05Å; Y494-F498 AromaticContact CZ-CZ 3.59Å; Y494-F498 WeakPolarHBondContact O-CD2 3.47Å; Y494-F498 PolarHBondContact O-N 2.88Å; Y494-F498 WeakPolarHBondContact OH-CE2 3.15Å; Y494-F498 WeakPolarHBondContact OH-CZ 3.47Å |
| 495 | R | 62.2 | Low | 58.5 | Low | 144 Ų | 144 | 100.3 Ų | 100.3 | 54% | 0.543 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.4 | -36.6 | 178 | -66.3 | -173.4 | -153.1 | 165.4 | 5.5 | 112.9 | N490 S491 S492 R497 F498 R499 | N490-R495 PolarHBondContact O-NE 2.75Å; N490-R495 PolarHBondContact O-NH2 3.5Å; N490-R495 VanDerWaalsContact O-NH2 3.11Å; N490-R495 PolarHBondContact OD1-NH2 2.93Å; S491-R495 PolarHBondContact O-N 3.16Å; S492-R495 PolarHBondContact O-N 2.9Å; R495-R497 VanDerWaalsContact C-N 3.32Å; R495-R497 PolarHBondContact O-N 2.72Å; R495-F498 PolarHBondContact O-N 2.7Å; R495-R499 WeakPolarHBondContact O-CB 3.38Å; R495-R499 PolarHBondContact O-N 3.25Å |
| 496 | A | 58.3 | Low | 56.7 | Low | 63 Ų | 63 | 103.5 Ų | 103.5 | 52% | 0.521 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S492 Y494 | S492-A496 VanDerWaalsContact O-CB 3.26Å; S492-A496 WeakPolarHBondContact O-CB 3.09Å; S492-A496 PolarHBondContact O-N 3.15Å; Y494-A496 VanDerWaalsContact C-N 3.26Å; Y494-A496 PolarHBondContact O-N 2.72Å |
| 497 | R | 57.9 | Low | 55.2 | Low | 78 Ų | 78 | 101.6 Ų | 101.6 | 29% | 0.294 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 174.2 | -67.4 | -178.5 | -147.1 | 170.7 | 11.8 | 112.1 | A493 Y494 R495 N511 | A493-R497 WeakPolarHBondContact O-CG 3.47Å; A493-R497 PolarHBondContact O-N 3.33Å; Y494-R497 WeakPolarHBondContact O-CB 3.27Å; Y494-R497 PolarHBondContact O-N 3.45Å; R495-R497 VanDerWaalsContact C-N 3.32Å; R495-R497 PolarHBondContact O-N 2.72Å; R497-N511 VanDerWaalsContact NH2-CG 3.27Å; R497-N511 PolarHBondContact NH2-ND2 2.84Å |
| 498 | F | 53.9 | Low | 54.2 | Low | 72 Ų | 72 | 98.5 Ų | 98.5 | 32% | 0.316 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -83.3 | -13.3 | -177.9 | -73.6 | -88.5 | 0 | 0 | 0 | 114.7 | Y494 R495 N500 N507 | Y494-F498 AromaticContact CD1-CD2 3.67Å; Y494-F498 HydrophobicContact CD1-CD2 3.67Å; Y494-F498 AromaticContact CD1-CE2 3.83Å; Y494-F498 HydrophobicContact CD1-CE2 3.83Å; Y494-F498 HydrophobicContact CD2-CD2 4.39Å; Y494-F498 AromaticContact CD2-CE2 3.86Å; Y494-F498 HydrophobicContact CD2-CE2 3.86Å; Y494-F498 AromaticContact CE1-CD2 3.43Å; Y494-F498 HydrophobicContact CE1-CD2 3.43Å; Y494-F498 VanDerWaalsContact CE1-CD2 3.43Å; Y494-F498 AromaticContact CE1-CE2 3.3Å; Y494-F498 HydrophobicContact CE1-CE2 3.3Å; Y494-F498 HydrophobicContact CE1-CG 4.35Å; Y494-F498 HydrophobicContact CE1-CZ 4.09Å; Y494-F498 HydrophobicContact CE2-CD2 4.21Å; Y494-F498 AromaticContact CE2-CE2 3.37Å; Y494-F498 HydrophobicContact CE2-CE2 3.37Å; Y494-F498 HydrophobicContact CE2-CZ 4.07Å; Y494-F498 HydrophobicContact CG-CD2 4.16Å; Y494-F498 HydrophobicContact CG-CE2 4.09Å; Y494-F498 AromaticContact CZ-CD2 3.73Å; Y494-F498 AromaticContact CZ-CE2 3.05Å; Y494-F498 AromaticContact CZ-CZ 3.59Å; Y494-F498 WeakPolarHBondContact O-CD2 3.47Å; Y494-F498 PolarHBondContact O-N 2.88Å; Y494-F498 WeakPolarHBondContact OH-CE2 3.15Å; Y494-F498 WeakPolarHBondContact OH-CZ 3.47Å; R495-F498 PolarHBondContact O-N 2.7Å; F498-N500 VanDerWaalsContact C-N 3.31Å; F498-N500 PolarHBondContact O-N 3.14Å; F498-N507 HydrophobicContact CE1-CB 4.21Å |
| 499 | R | 50.3 | Low | 53.3 | Low | 218 Ų | 218 | 103.2 Ų | 103.2 | 82% | 0.823 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -73 | -23.3 | 179.8 | -162.3 | 173.9 | 179.1 | -178.9 | -1 | 112.6 | R495 K501 | R495-R499 WeakPolarHBondContact O-CB 3.38Å; R495-R499 PolarHBondContact O-N 3.25Å; R499-K501 PolarHBondContact O-N 3.13Å |
| 500 | N | 46.2 | Very low | 52.8 | Low | 142 Ų | 142 | 102 Ų | 102 | 76% | 0.759 | 50% | 0.501 | S | S | * | . | trans | -77.2 | 67.7 | 172.6 | -79.1 | -6.3 | 0 | 0 | 0 | 111.1 | F498 K502 | F498-N500 VanDerWaalsContact C-N 3.31Å; F498-N500 PolarHBondContact O-N 3.14Å; N500-K502 PolarHBondContact O-N 2.8Å | ||
| 501 | K | 40.1 | Very low | 52.4 | Low | 184 Ų | 184 | 98.5 Ų | 98.5 | 80% | 0.8 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 6.5 | -175 | -102.8 | -175.8 | 176.9 | -176.3 | 0 | 116.6 | R499 | R499-K501 PolarHBondContact O-N 3.13Š|
| 502 | K | 41.7 | Very low | 52.4 | Low | 204 Ų | 204 | 100.7 Ų | 100.7 | 89% | 0.887 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -4.8 | -173.1 | -83.9 | -169.7 | 176 | -176.9 | 0 | 115.9 | N500 | N500-K502 PolarHBondContact O-N 2.8Š|
| 503 | E | 39 | Very low | 52.5 | Low | 175 Ų | 175 | 99.7 Ų | 99.7 | 82% | 0.818 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -110.4 | 87.6 | 169.3 | -73 | -178.7 | 175.2 | 0 | 0 | 109.3 | T505 | E503-T505 PolarHBondContact O-N 3.2Å; E503-T505 VanDerWaalsContact O-N 3.15Å |
| 504 | I | 36.7 | Very low | 52.3 | Low | 148 Ų | 148 | 101.5 Ų | 101.5 | 76% | 0.759 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 97.3 | 178 | -63.6 | 166 | 0 | 0 | 0 | 107.5 | ||
| 505 | T | 37.9 | Very low | 52 | Low | 120 Ų | 120 | 100.9 Ų | 100.9 | 74% | 0.736 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 168.5 | -16 | 140.2 | 45.7 | 0 | 0 | 0 | 0 | 114.5 | E503 | E503-T505 PolarHBondContact O-N 3.2Å; E503-T505 VanDerWaalsContact O-N 3.15Å |
| 506 | N | 39.3 | Very low | 51.6 | Low | 77 Ų | 77 | 104.6 Ų | 104.6 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | trans | -105.6 | 79.8 | -173.3 | -79.7 | -17.9 | 0 | 0 | 0 | 114.3 | Y508 I509 | N506-Y508 PolarHBondContact O-N 3.23Å; N506-I509 HydrophobicContact CB-CD1 4.31Å; N506-I509 HydrophobicContact CB-CG1 4.08Å | ||
| 507 | N | 46.3 | Very low | 51.7 | Low | 93 Ų | 93 | 102.9 Ų | 102.9 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -4.6 | 176.1 | -86.2 | -7.1 | 0 | 0 | 0 | 114.9 | F498 | F498-N507 HydrophobicContact CE1-CB 4.21Š|
| 508 | Y | 54.5 | Low | 52 | Low | 47 Ų | 47 | 106.4 Ų | 106.4 | 18% | 0.184 | 53% | 0.526 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | 46.2 | -171.4 | -55.4 | -76.2 | 0 | 0 | 0 | 113.7 | E406 N506 R565 S630 | E406-Y508 PolarHBondContact O-OH 3.16Å; N506-Y508 PolarHBondContact O-N 3.23Å; Y508-R565 HydrophobicContact CD1-CB 4.36Å; Y508-R565 HydrophobicContact CD1-CG 4.08Å; Y508-R565 HydrophobicContact CE1-CB 4.18Å; Y508-R565 HydrophobicContact CE1-CG 3.95Å; Y508-R565 HydrophobicContact CG-CG 4.47Å; Y508-S630 PolarHBondContact O-OG 2.92Å |
| 509 | I | 56.5 | Low | 52.8 | Low | 104 Ų | 104 | 103.5 Ų | 103.5 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | trans | -71.9 | 125.7 | 168.4 | -58.1 | 178.7 | 0 | 0 | 0 | 108.4 | N506 | N506-I509 HydrophobicContact CB-CD1 4.31Å; N506-I509 HydrophobicContact CB-CG1 4.08Å | ||
| 510 | P | 61.1 | Low | 54.1 | Low | 9 Ų | 9 | 93.9 Ų | 93.9 | 6% | 0.058 | 48% | 0.48 | C | S | . | . | trans | -68.4 | 148.8 | -178.1 | 28.8 | -27.1 | 0 | 0 | 0 | 109.7 | L512 S630 F634 | P510-L512 VanDerWaalsContact C-N 3.33Å; P510-L512 HydrophobicContact CG-CD2 4.34Å; P510-L512 HydrophobicContact CG-CG 4.46Å; P510-L512 PolarHBondContact O-N 3.46Å; P510-S630 VanDerWaalsContact CD-OG 3.26Å; P510-S630 WeakPolarHBondContact CD-OG 3.33Å; P510-F634 HydrophobicContact CB-CB 3.93Å; P510-F634 HydrophobicContact CB-CD2 3.94Å; P510-F634 HydrophobicContact CB-CG 4.34Å; P510-F634 HydrophobicContact CG-CB 4.03Å | ||
| 511 | N | 64.2 | Low | 55.9 | Low | 16 Ų | 16 | 87.5 Ų | 87.5 | 9% | 0.086 | 45% | 0.447 | C | S | . | . | trans | -74 | 88.3 | 176.4 | -168.4 | 11.2 | 0 | 0 | 0 | 111 | R497 S513 V573 | R497-N511 VanDerWaalsContact NH2-CG 3.27Å; R497-N511 PolarHBondContact NH2-ND2 2.84Å; N511-S513 PolarHBondContact O-N 3.26Å; N511-S513 VanDerWaalsContact O-N 3.14Å; N511-S513 WeakPolarHBondContact OD1-CB 3.18Å; N511-S513 PolarHBondContact OD1-N 3.46Å; N511-S513 PolarHBondContact OD1-OG 2.84Å; N511-V573 PolarHBondContact O-N 2.91Å; N511-V573 VanDerWaalsContact O-N 3.13Å | ||
| 512 | L | 67.9 | Low | 58.2 | Low | 60 Ų | 60 | 78.9 Ų | 78.9 | 31% | 0.314 | 41% | 0.411 | S | S | . | . | trans | -70 | 0.4 | 175.7 | -62.6 | 173.8 | 0 | 0 | 0 | 113.4 | P510 T514 V573 H637 | P510-L512 VanDerWaalsContact C-N 3.33Å; P510-L512 HydrophobicContact CG-CD2 4.34Å; P510-L512 HydrophobicContact CG-CG 4.46Å; P510-L512 PolarHBondContact O-N 3.46Å; L512-T514 PolarHBondContact O-N 2.94Å; L512-V573 HydrophobicContact CD2-CG2 4.08Å; L512-H637 HydrophobicContact CD2-CB 4.1Å | ||
| 513 | S | 66.2 | Low | 60.3 | Low | 63 Ų | 63 | 72.4 Ų | 72.4 | 44% | 0.441 | 39% | 0.391 | S | S | . | . | trans | -56.1 | 127 | 177.8 | -60.8 | 0 | 0 | 0 | 0 | 110.8 | N511 G515 S572 | N511-S513 PolarHBondContact O-N 3.26Å; N511-S513 VanDerWaalsContact O-N 3.14Å; N511-S513 WeakPolarHBondContact OD1-CB 3.18Å; N511-S513 PolarHBondContact OD1-N 3.46Å; N511-S513 PolarHBondContact OD1-OG 2.84Å; S513-G515 VanDerWaalsContact C-N 3.32Å; S513-S572 WeakPolarHBondContact O-CB 3.4Å | ||
| 514 | T | 56.8 | Low | 62.6 | Low | 64 Ų | 64 | 68.3 Ų | 68.3 | 39% | 0.393 | 38% | 0.375 | S | S | . | . | trans | -89.5 | -0.2 | 173.8 | 57.7 | 0 | 0 | 0 | 0 | 112.5 | L512 R574 E641 | L512-T514 PolarHBondContact O-N 2.94Å; T514-R574 WeakPolarHBondContact O-CD 3.33Å; T514-R574 PolarHBondContact O-NH1 3.48Å; T514-E641 HydrophobicContact CG2-CG 4.47Å; T514-E641 WeakPolarHBondContact CG2-OE1 3.46Å | ||
| 515 | G | 56.1 | Low | 65.1 | Low | 37 Ų | 37 | 61.7 Ų | 61.7 | 38% | 0.381 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -91.7 | 158.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S513 S517 | S513-G515 VanDerWaalsContact C-N 3.32Å; G515-S517 PolarHBondContact O-N 3.26Å |
| 516 | R | 53.3 | Low | 67.6 | Low | 222 Ų | 222 | 56.7 Ų | 56.7 | 84% | 0.838 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 135.7 | 171.1 | -83.4 | -174 | 172.7 | -172.7 | -2.5 | 109.9 | ||
| 517 | S | 59.9 | Low | 69.9 | Low | 27 Ų | 27 | 57.9 Ų | 57.9 | 19% | 0.189 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -97 | 138.7 | 171.9 | -162.8 | 0 | 0 | 0 | 0 | 110.1 | G515 S519 | G515-S517 PolarHBondContact O-N 3.26Å; S517-S519 WeakPolarHBondContact CB-OG 3.49Å; S517-S519 PolarHBondContact O-N 3.07Å; S517-S519 PolarHBondContact OG-N 2.83Å; S517-S519 PolarHBondContact OG-OG 3.23Å |
| 518 | D | 64 | Low | 71.9 | Confident | 153 Ų | 153 | 54 Ų | 54 | 82% | 0.818 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -73.3 | -0.9 | 169.9 | -67.1 | -27.5 | 0 | 0 | 0 | 112.6 | ||
| 519 | S | 70.3 | Confident | 73.7 | Confident | 10 Ų | 10 | 52 Ų | 52 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -79.2 | 151.6 | 176.3 | 64.9 | 0 | 0 | 0 | 0 | 112.2 | S517 G521 | S517-S519 WeakPolarHBondContact CB-OG 3.49Å; S517-S519 PolarHBondContact O-N 3.07Å; S517-S519 PolarHBondContact OG-N 2.83Å; S517-S519 PolarHBondContact OG-OG 3.23Å; S519-G521 PolarHBondContact O-N 3.49Å |
| 520 | P | 78.6 | Confident | 75.4 | Confident | 17 Ų | 17 | 48.1 Ų | 48.1 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | trans | -48.6 | 128 | 172 | -25.6 | 33.1 | 0 | 0 | 0 | 112.3 | F484 Q487 I488 D524 G571 | F484-P520 HydrophobicContact CD2-CB 4.12Å; F484-P520 HydrophobicContact CE2-CB 3.59Å; F484-P520 HydrophobicContact CZ-CB 4.32Å; Q487-P520 HydrophobicContact CB-CG 3.77Å; I488-P520 HydrophobicContact CG1-CB 4.02Å; I488-P520 HydrophobicContact CG1-CG 3.97Å; P520-D524 WeakPolarHBondContact CA-OD2 3.36Å; P520-D524 HydrophobicContact CB-CB 4.26Å; P520-G571 PolarHBondContact O-N 3.17Å | ||
| 521 | G | 84.6 | Confident | 76.8 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | trans | -98.3 | -175 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S519 S523 D524 C570 | S519-G521 PolarHBondContact O-N 3.49Å; G521-S523 PolarHBondContact O-N 3.35Å; G521-D524 PolarHBondContact N-OD2 2.85Å; G521-D524 PolarHBondContact O-N 3.5Å; G521-D524 VanDerWaalsContact O-N 3.09Å; G521-C570 PolarHBondContact O-SG 3.16Å; G521-C570 VanDerWaalsContact O-SG 3.41Å | ||
| 522 | P | 87 | Confident | 78.2 | Confident | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -56 | -34.5 | 174.9 | -25.9 | 36.3 | 0 | 0 | 0 | 113.2 | D524 L525 C570 D575 W576 V579 E593 | P522-D524 PolarHBondContact O-N 2.66Å; P522-L525 WeakPolarHBondContact O-CB 3.34Å; P522-L525 WeakPolarHBondContact O-CD1 3.21Å; P522-L525 WeakPolarHBondContact O-CG 3.39Å; P522-L525 PolarHBondContact O-N 2.96Å; P522-C570 WeakPolarHBondContact CA-SG 3.35Å; P522-C570 VanDerWaalsContact N-SG 3.39Å; P522-D575 HydrophobicContact CG-CB 4.21Å; P522-W576 HydrophobicContact CB-CD2 4.41Å; P522-W576 HydrophobicContact CB-CE3 4.31Å; P522-W576 HydrophobicContact CB-CH2 3.98Å; P522-W576 HydrophobicContact CB-CZ2 4.08Å; P522-W576 HydrophobicContact CB-CZ3 4.09Å; P522-W576 HydrophobicContact CG-CD2 3.79Å; P522-W576 HydrophobicContact CG-CE3 4.16Å; P522-W576 HydrophobicContact CG-CG 4.23Å; P522-W576 HydrophobicContact CG-CH2 4.25Å; P522-W576 HydrophobicContact CG-CZ2 3.88Å; P522-W576 HydrophobicContact CG-CZ3 4.37Å; P522-V579 HydrophobicContact CB-CG2 3.9Å; P522-V579 HydrophobicContact CG-CG2 4.28Å; P522-E593 HydrophobicContact CB-CB 4.01Å; P522-E593 HydrophobicContact CB-CG 4.09Å; P522-E593 VanDerWaalsContact O-CB 3.23Å; P522-E593 WeakPolarHBondContact O-CB 3.35Å |
| 523 | S | 85.8 | Confident | 79.5 | Confident | 68 Ų | 68 | 44.1 Ų | 44.1 | 48% | 0.476 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -60.3 | -31.2 | 177.5 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | G521 L525 K530 | G521-S523 PolarHBondContact O-N 3.35Å; S523-L525 VanDerWaalsContact C-N 3.31Å; S523-L525 PolarHBondContact O-N 3.4Å; S523-K530 PolarHBondContact O-NZ 3.02Å |
| 524 | D | 87.4 | Confident | 80.8 | Confident | 89 Ų | 89 | 41.1 Ų | 41.1 | 48% | 0.476 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -87.3 | 1.6 | -174 | -53.5 | -47.5 | 0 | 0 | 0 | 113.2 | F484 P520 G521 P522 | F484-D524 HydrophobicContact CD2-CB 4.18Å; F484-D524 VanDerWaalsContact CD2-O 3.31Å; F484-D524 WeakPolarHBondContact CD2-O 3.34Å; F484-D524 HydrophobicContact CE2-CB 3.84Å; P520-D524 WeakPolarHBondContact CA-OD2 3.36Å; P520-D524 HydrophobicContact CB-CB 4.26Å; G521-D524 PolarHBondContact N-OD2 2.85Å; G521-D524 PolarHBondContact O-N 3.5Å; G521-D524 VanDerWaalsContact O-N 3.09Å; P522-D524 PolarHBondContact O-N 2.66Å |
| 525 | L | 89.7 | Confident | 82.5 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -57.5 | 144.3 | 175.2 | -75.5 | 168 | 0 | 0 | 0 | 111.6 | F484 P522 S523 L529 K530 L566 W576 E593 L596 | F484-L525 HydrophobicContact CD1-CD2 4.35Å; F484-L525 HydrophobicContact CE1-CD2 3.73Å; F484-L525 HydrophobicContact CZ-CD2 3.88Å; F484-L525 HydrophobicContact CZ-CG 4.34Å; P522-L525 WeakPolarHBondContact O-CB 3.34Å; P522-L525 WeakPolarHBondContact O-CD1 3.21Å; P522-L525 WeakPolarHBondContact O-CG 3.39Å; P522-L525 PolarHBondContact O-N 2.96Å; S523-L525 VanDerWaalsContact C-N 3.31Å; S523-L525 PolarHBondContact O-N 3.4Å; L525-L529 HydrophobicContact CD2-CD2 4.4Å; L525-K530 HydrophobicContact CB-CD 4.47Å; L525-K530 HydrophobicContact CB-CG 4.19Å; L525-K530 WeakPolarHBondContact O-CE 3.46Å; L525-L566 HydrophobicContact CD2-CD1 4.3Å; L525-L566 HydrophobicContact CD2-CD2 4.17Å; L525-L566 HydrophobicContact CD2-CG 4.38Å; L525-W576 HydrophobicContact CD1-CH2 4.49Å; L525-E593 HydrophobicContact CD1-CB 4.27Å; L525-L596 HydrophobicContact CD1-CD2 3.71Å; L525-L596 HydrophobicContact CD2-CD2 4.46Å |
| 526 | P | 89.4 | Confident | 84.3 | Confident | 16 Ų | 16 | 36.3 Ų | 36.3 | 10% | 0.104 | 18% | 0.184 | C | C | . | . | trans | -64.5 | 138.8 | -177.8 | 25.1 | -33.1 | 0 | 0 | 0 | 112.1 | L481 S528 L529 K530 | L481-P526 HydrophobicContact CB-CG 4.13Å; L481-P526 HydrophobicContact CD1-CG 4.04Å; P526-S528 PolarHBondContact O-N 3.19Å; P526-L529 HydrophobicContact CG-CB 3.92Å; P526-L529 PolarHBondContact O-N 3.12Å; P526-L529 VanDerWaalsContact O-N 3.14Å; P526-K530 PolarHBondContact O-N 3.38Å; P526-K530 VanDerWaalsContact O-N 3.11Å | ||
| 527 | K | 89.2 | Confident | 86.1 | Confident | 101 Ų | 101 | 25.9 Ų | 25.9 | 44% | 0.439 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -55.6 | -35.9 | 179.9 | -169.4 | -179.7 | -178.5 | -178.9 | 0 | 112.6 | T332 K530 A531 P591 | T332-K527 HydrophobicContact CG2-CD 4.18Å; T332-K527 HydrophobicContact CG2-CG 4.01Å; K527-K530 PolarHBondContact O-N 3.07Å; K527-A531 VanDerWaalsContact O-CB 3.32Å; K527-A531 WeakPolarHBondContact O-CB 3.44Å; K527-A531 PolarHBondContact O-N 3.3Å; K527-P591 HydrophobicContact CG-CB 4.06Å; K527-P591 HydrophobicContact CG-CG 4.03Å |
| 528 | S | 88.5 | Confident | 87.6 | Confident | 11 Ų | 11 | 24.8 Ų | 24.8 | 8% | 0.077 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.4 | -50.6 | 177.2 | 57.2 | 0 | 0 | 0 | 0 | 112 | D400 P526 A531 V532 | D400-S528 PolarHBondContact OD2-OG 3.29Å; D400-S528 VanDerWaalsContact OD2-OG 3.12Å; P526-S528 PolarHBondContact O-N 3.19Å; S528-A531 PolarHBondContact O-N 3.05Å; S528-V532 WeakPolarHBondContact O-CG2 3.22Å; S528-V532 PolarHBondContact O-N 2.89Å |
| 529 | L | 90.9 | Very high | 88.9 | Confident | 6 Ų | 6 | 17.5 Ų | 17.5 | 3% | 0.031 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66 | -43.1 | 179.1 | -178.5 | 64 | 0 | 0 | 0 | 111.6 | F398 L481 L525 P526 A531 V532 C533 L566 | F398-L529 HydrophobicContact CD1-CD1 3.82Å; F398-L529 HydrophobicContact CE1-CD1 3.87Å; L481-L529 HydrophobicContact CD1-CD2 4.25Å; L525-L529 HydrophobicContact CD2-CD2 4.4Å; P526-L529 HydrophobicContact CG-CB 3.92Å; P526-L529 PolarHBondContact O-N 3.12Å; P526-L529 VanDerWaalsContact O-N 3.14Å; L529-A531 VanDerWaalsContact C-N 3.26Å; L529-A531 PolarHBondContact O-N 2.97Å; L529-V532 PolarHBondContact O-N 3.37Å; L529-C533 PolarHBondContact O-N 3.29Å; L529-C533 PolarHBondContact O-SG 2.96Å; L529-L566 HydrophobicContact CD2-CD2 3.39Å |
| 530 | K | 92.4 | Very high | 89.7 | Confident | 23 Ų | 23 | 17.5 Ų | 17.5 | 10% | 0.1 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.1 | -41.4 | 174.8 | -67.4 | -175.6 | -177.7 | -173 | 0 | 111 | S523 L525 P526 K527 C533 M534 P591 E593 | S523-K530 PolarHBondContact O-NZ 3.02Å; L525-K530 HydrophobicContact CB-CD 4.47Å; L525-K530 HydrophobicContact CB-CG 4.19Å; L525-K530 WeakPolarHBondContact O-CE 3.46Å; P526-K530 PolarHBondContact O-N 3.38Å; P526-K530 VanDerWaalsContact O-N 3.11Å; K527-K530 PolarHBondContact O-N 3.07Å; K530-C533 PolarHBondContact O-N 2.85Å; K530-M534 WeakPolarHBondContact O-CB 3.26Å; K530-M534 PolarHBondContact O-N 3.36Å; K530-P591 HydrophobicContact CB-CB 3.58Å; K530-E593 IonicContact NZ-OE2 2.91Å; K530-E593 PolarHBondContact NZ-OE2 2.83Å |
| 531 | A | 91.7 | Very high | 90 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69.1 | -38.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T332 C335 I336 K527 S528 L529 M534 L535 P591 | T332-A531 HydrophobicContact CG2-CB 3.96Å; C335-A531 HydrophobicContact CB-CB 3.86Å; C335-A531 WeakPolarHBondContact CB-O 3.32Å; I336-A531 HydrophobicContact CG1-CB 4.43Å; K527-A531 VanDerWaalsContact O-CB 3.32Å; K527-A531 WeakPolarHBondContact O-CB 3.44Å; K527-A531 PolarHBondContact O-N 3.3Å; S528-A531 PolarHBondContact O-N 3.05Å; L529-A531 VanDerWaalsContact C-N 3.26Å; L529-A531 PolarHBondContact O-N 2.97Å; A531-M534 VanDerWaalsContact O-CB 3.28Å; A531-M534 WeakPolarHBondContact O-CB 3.49Å; A531-M534 PolarHBondContact O-N 3.31Å; A531-L535 PolarHBondContact O-N 3.46Å; A531-P591 HydrophobicContact CB-CB 4.19Å; A531-P591 HydrophobicContact CB-CG 3.83Å |
| 532 | V | 93.5 | Very high | 90 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.1 | -44.2 | 174.7 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | L397 F398 S528 L529 M534 L535 Y536 | L397-V532 HydrophobicContact CB-CG1 3.78Å; L397-V532 HydrophobicContact CB-CG2 4.2Å; L397-V532 WeakPolarHBondContact O-CG2 3.45Å; F398-V532 HydrophobicContact CD1-CG1 4Å; F398-V532 HydrophobicContact CD2-CG1 3.91Å; F398-V532 HydrophobicContact CE1-CB 4.46Å; F398-V532 HydrophobicContact CE1-CG1 3.69Å; F398-V532 HydrophobicContact CE2-CG1 3.61Å; F398-V532 HydrophobicContact CG-CG1 4.11Å; F398-V532 HydrophobicContact CZ-CG1 3.5Å; F398-V532 VanDerWaalsContact CZ-CG1 3.5Å; S528-V532 WeakPolarHBondContact O-CG2 3.22Å; S528-V532 PolarHBondContact O-N 2.89Å; L529-V532 PolarHBondContact O-N 3.37Å; V532-M534 VanDerWaalsContact C-N 3.34Å; V532-M534 PolarHBondContact O-N 3.32Å; V532-L535 WeakPolarHBondContact O-CB 3.46Å; V532-L535 PolarHBondContact O-N 3.18Å; V532-Y536 HydrophobicContact CG1-CD2 4.16Å; V532-Y536 HydrophobicContact CG1-CE2 4.02Å; V532-Y536 WeakPolarHBondContact O-CD2 3.44Å; V532-Y536 PolarHBondContact O-N 3Å |
| 533 | C | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 175.8 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | L529 K530 L535 Y536 C537 H595 I599 | L529-C533 PolarHBondContact O-N 3.29Å; L529-C533 PolarHBondContact O-SG 2.96Å; K530-C533 PolarHBondContact O-N 2.85Å; C533-L535 VanDerWaalsContact C-N 3.33Å; C533-L535 PolarHBondContact O-N 2.89Å; C533-Y536 PolarHBondContact O-N 2.86Å; C533-C537 PolarHBondContact O-N 3.36Å; C533-C537 PolarHBondContact O-SG 2.88Å; C533-H595 HydrophobicContact CB-CB 3.71Å; C533-I599 HydrophobicContact CB-CG2 4.12Å |
| 534 | M | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -52.9 | -50.1 | 173.7 | -172.5 | -170.5 | 174.5 | 0 | 0 | 111.3 | K530 A531 V532 Y536 C537 F538 L589 P591 H595 | K530-M534 WeakPolarHBondContact O-CB 3.26Å; K530-M534 PolarHBondContact O-N 3.36Å; A531-M534 VanDerWaalsContact O-CB 3.28Å; A531-M534 WeakPolarHBondContact O-CB 3.49Å; A531-M534 PolarHBondContact O-N 3.31Å; V532-M534 VanDerWaalsContact C-N 3.34Å; V532-M534 PolarHBondContact O-N 3.32Å; M534-Y536 PolarHBondContact O-N 3.28Å; M534-C537 WeakPolarHBondContact O-CB 3.35Å; M534-C537 PolarHBondContact O-N 2.9Å; M534-F538 HydrophobicContact CE-CD2 4.08Å; M534-F538 HydrophobicContact CE-CE2 3.52Å; M534-F538 HydrophobicContact CE-CZ 4.38Å; M534-F538 HydrophobicContact CG-CD2 3.68Å; M534-F538 HydrophobicContact CG-CE2 3.6Å; M534-F538 VanDerWaalsContact O-CD2 3.29Å; M534-F538 WeakPolarHBondContact O-CD2 3.34Å; M534-F538 PolarHBondContact O-N 2.98Å; M534-F538 HydrophobicContact SD-CE2 4.47Å; M534-L589 HydrophobicContact CE-CG 4.48Å; M534-L589 VanDerWaalsContact CE-O 3.3Å; M534-L589 WeakPolarHBondContact CE-O 3.46Å; M534-P591 HydrophobicContact SD-CG 4.34Å; M534-H595 VanDerWaalsContact CB-CD2 3.41Å; M534-H595 WeakPolarHBondContact CB-CD2 3.48Å |
| 535 | L | 94.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -55.9 | -49.6 | 179.8 | 175 | 58.4 | 0 | 0 | 0 | 111.8 | F334 C335 L338 S339 L388 L397 A531 V532 C533 F538 T539 | F334-L535 HydrophobicContact CE1-CD2 4.32Å; C335-L535 HydrophobicContact CB-CB 4.23Å; C335-L535 HydrophobicContact CB-CD2 4.39Å; L338-L535 HydrophobicContact CB-CD1 3.49Å; L338-L535 VanDerWaalsContact CB-CD1 3.49Å; L338-L535 HydrophobicContact CD1-CD1 4.17Å; L338-L535 HydrophobicContact CD1-CD2 4.3Å; S339-L535 WeakPolarHBondContact OG-CA 3.49Å; S339-L535 PolarHBondContact OG-N 3.41Å; L388-L535 HydrophobicContact CD1-CD2 3.93Å; L397-L535 HydrophobicContact CD1-CD2 4.09Å; A531-L535 PolarHBondContact O-N 3.46Å; V532-L535 WeakPolarHBondContact O-CB 3.46Å; V532-L535 PolarHBondContact O-N 3.18Å; C533-L535 VanDerWaalsContact C-N 3.33Å; C533-L535 PolarHBondContact O-N 2.89Å; L535-F538 PolarHBondContact O-N 3.16Å; L535-T539 VanDerWaalsContact O-CB 3.27Å; L535-T539 WeakPolarHBondContact O-CB 3.17Å; L535-T539 PolarHBondContact O-N 3.18Å; L535-T539 PolarHBondContact O-OG1 3.06Å |
| 536 | Y | 93.6 | Very high | 89 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70.5 | -31.2 | 179.7 | -73.6 | -68 | 0 | 0 | 0 | 113.1 | L388 W389 V394 L397 F398 V532 C533 M534 S540 I550 L554 | L388-Y536 HydrophobicContact CG-CE1 4.2Å; L388-Y536 PolarHBondContact O-OH 3.29Å; W389-Y536 HydrophobicContact CB-CE1 4.45Å; V394-Y536 WeakPolarHBondContact CG2-OH 3.21Å; L397-Y536 HydrophobicContact CD1-CE2 4Å; F398-Y536 HydrophobicContact CD2-CE2 4.32Å; F398-Y536 AromaticContact CE2-CD2 3.8Å; F398-Y536 HydrophobicContact CE2-CD2 3.8Å; F398-Y536 AromaticContact CE2-CE2 3.52Å; F398-Y536 HydrophobicContact CE2-CE2 3.52Å; F398-Y536 HydrophobicContact CZ-CD2 4.1Å; F398-Y536 HydrophobicContact CZ-CE2 4.26Å; V532-Y536 HydrophobicContact CG1-CD2 4.16Å; V532-Y536 HydrophobicContact CG1-CE2 4.02Å; V532-Y536 WeakPolarHBondContact O-CD2 3.44Å; V532-Y536 PolarHBondContact O-N 3Å; C533-Y536 PolarHBondContact O-N 2.86Å; M534-Y536 PolarHBondContact O-N 3.28Å; Y536-S540 WeakPolarHBondContact O-CB 3.4Å; Y536-S540 PolarHBondContact O-N 3.21Å; Y536-I550 HydrophobicContact CD1-CG2 4.37Å; Y536-L554 HydrophobicContact CD1-CD1 3.89Å; Y536-L554 HydrophobicContact CD1-CD2 3.85Å; Y536-L554 HydrophobicContact CD1-CG 4.23Å; Y536-L554 HydrophobicContact CD2-CD2 4.14Å; Y536-L554 HydrophobicContact CE1-CD2 3.7Å; Y536-L554 HydrophobicContact CE1-CG 4.38Å; Y536-L554 HydrophobicContact CE2-CD2 3.98Å; Y536-L554 HydrophobicContact CG-CD1 3.96Å; Y536-L554 HydrophobicContact CG-CD2 4.07Å |
| 537 | C | 91.4 | Very high | 88.7 | Confident | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.02 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.9 | -53.1 | 170.6 | -74.1 | 0 | 0 | 0 | 0 | 111.5 | C533 M534 S540 G541 H595 M691 | C533-C537 PolarHBondContact O-N 3.36Å; C533-C537 PolarHBondContact O-SG 2.88Å; M534-C537 WeakPolarHBondContact O-CB 3.35Å; M534-C537 PolarHBondContact O-N 2.9Å; C537-S540 PolarHBondContact O-N 3.15Å; C537-G541 PolarHBondContact O-N 3.45Å; C537-H595 PolarHBondContact SG-O 3.06Å; C537-M691 HydrophobicContact CB-SD 4.39Å; C537-M691 WeakPolarHBondContact O-CE 3.39Å |
| 538 | F | 90.2 | Very high | 88.4 | Confident | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.5 | -41.2 | 178.7 | -78.1 | -73.9 | 0 | 0 | 0 | 112.3 | M342 H343 M534 L535 S540 G541 S542 L589 M691 | M342-F538 HydrophobicContact CB-CB 3.92Å; H343-F538 HydrophobicContact CB-CD1 3.85Å; H343-F538 HydrophobicContact CB-CE1 3.86Å; H343-F538 AromaticContact CG-CE1 3.97Å; H343-F538 AromaticContact ND1-CE1 3.54Å; M534-F538 HydrophobicContact CE-CD2 4.08Å; M534-F538 HydrophobicContact CE-CE2 3.52Å; M534-F538 HydrophobicContact CE-CZ 4.38Å; M534-F538 HydrophobicContact CG-CD2 3.68Å; M534-F538 HydrophobicContact CG-CE2 3.6Å; M534-F538 VanDerWaalsContact O-CD2 3.29Å; M534-F538 WeakPolarHBondContact O-CD2 3.34Å; M534-F538 PolarHBondContact O-N 2.98Å; M534-F538 HydrophobicContact SD-CE2 4.47Å; L535-F538 PolarHBondContact O-N 3.16Å; F538-S540 PolarHBondContact O-N 3.36Å; F538-G541 PolarHBondContact O-N 3Å; F538-S542 VanDerWaalsContact O-CB 3.28Å; F538-S542 WeakPolarHBondContact O-CB 3.22Å; F538-S542 PolarHBondContact O-N 3.26Å; F538-S542 PolarHBondContact O-OG 3.42Å; F538-L589 HydrophobicContact CE1-CD1 4.45Å; F538-L589 HydrophobicContact CZ-CD1 4.14Å; F538-M691 HydrophobicContact CD1-CE 3.84Å; F538-M691 HydrophobicContact CE1-CE 4.35Å; F538-M691 HydrophobicContact CG-CE 4.36Å |
| 539 | T | 90.8 | Very high | 88 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.8 | -47.3 | 175.8 | -55 | 0 | 0 | 0 | 0 | 111 | M342 L388 L535 G541 L543 I550 | M342-T539 HydrophobicContact CE-CG2 4.17Å; L388-T539 HydrophobicContact CD2-CG2 3.8Å; L535-T539 VanDerWaalsContact O-CB 3.27Å; L535-T539 WeakPolarHBondContact O-CB 3.17Å; L535-T539 PolarHBondContact O-N 3.18Å; L535-T539 PolarHBondContact O-OG1 3.06Å; T539-G541 VanDerWaalsContact C-N 3.33Å; T539-G541 PolarHBondContact O-N 2.96Å; T539-L543 HydrophobicContact CG2-CD1 3.75Å; T539-L543 HydrophobicContact CG2-CG 4.39Å; T539-L543 WeakPolarHBondContact O-CB 3.48Å; T539-L543 WeakPolarHBondContact O-CG 3.21Å; T539-L543 PolarHBondContact O-N 3.22Å; T539-I550 HydrophobicContact CG2-CD1 3.83Å; T539-I550 HydrophobicContact CG2-CG1 4.44Å |
| 540 | S | 88.1 | Confident | 87.9 | Confident | 11 Ų | 11 | 23.6 Ų | 23.6 | 8% | 0.077 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.2 | -30 | 178.9 | 177.4 | 0 | 0 | 0 | 0 | 113.4 | Y536 C537 F538 R547 | Y536-S540 WeakPolarHBondContact O-CB 3.4Å; Y536-S540 PolarHBondContact O-N 3.21Å; C537-S540 PolarHBondContact O-N 3.15Å; F538-S540 PolarHBondContact O-N 3.36Å; S540-R547 WeakPolarHBondContact O-CD 3.26Å; S540-R547 WeakPolarHBondContact OG-CG 3.29Å |
| 541 | G | 84.1 | Confident | 87.7 | Confident | 14 Ų | 14 | 23 Ų | 23 | 14% | 0.144 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -86.4 | -33.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | C537 F538 T539 | C537-G541 PolarHBondContact O-N 3.45Å; F538-G541 PolarHBondContact O-N 3Å; T539-G541 VanDerWaalsContact C-N 3.33Å; T539-G541 PolarHBondContact O-N 2.96Å |
| 542 | S | 84.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -78.7 | -44.2 | 176.1 | -61.9 | 0 | 0 | 0 | 0 | 111.4 | M342 I349 F538 K544 | M342-S542 WeakPolarHBondContact O-CB 3.17Å; M342-S542 PolarHBondContact O-OG 2.98Å; I349-S542 WeakPolarHBondContact CD1-O 3.21Å; F538-S542 VanDerWaalsContact O-CB 3.28Å; F538-S542 WeakPolarHBondContact O-CB 3.22Å; F538-S542 PolarHBondContact O-N 3.26Å; F538-S542 PolarHBondContact O-OG 3.42Å; S542-K544 PolarHBondContact O-N 2.9Å |
| 543 | L | 86 | Confident | 86.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -90.4 | 66.7 | -175.7 | -49.5 | -177.7 | 0 | 0 | 0 | 111.9 | L310 M342 L345 I362 L363 T539 E545 I546 R547 I550 | L310-L543 HydrophobicContact CD1-CD2 4.28Å; M342-L543 HydrophobicContact CE-CD1 4.09Å; M342-L543 HydrophobicContact SD-CD1 4.37Å; M342-L543 HydrophobicContact SD-CD2 4.41Å; M342-L543 HydrophobicContact SD-CG 4.36Å; L345-L543 HydrophobicContact CD2-CD2 4.01Å; I362-L543 HydrophobicContact CG2-CD2 4.17Å; L363-L543 HydrophobicContact CD2-CD2 3.46Å; L363-L543 VanDerWaalsContact CD2-CD2 3.46Å; T539-L543 HydrophobicContact CG2-CD1 3.75Å; T539-L543 HydrophobicContact CG2-CG 4.39Å; T539-L543 WeakPolarHBondContact O-CB 3.48Å; T539-L543 WeakPolarHBondContact O-CG 3.21Å; T539-L543 PolarHBondContact O-N 3.22Å; L543-E545 PolarHBondContact O-N 3.29Å; L543-I546 HydrophobicContact CB-CD1 3.93Å; L543-I546 HydrophobicContact CB-CG1 3.61Å; L543-I546 HydrophobicContact CD1-CD1 3.82Å; L543-I546 HydrophobicContact CD1-CG1 4.46Å; L543-I546 HydrophobicContact CG-CD1 4.45Å; L543-I546 CarbonylContact O-C 3.49Å; L543-I546 PolarHBondContact O-N 3.48Å; L543-R547 PolarHBondContact O-N 2.83Å; L543-I550 HydrophobicContact CB-CD1 3.95Å; L543-I550 HydrophobicContact CD1-CD1 4.26Å | ||
| 544 | K | 80 | Confident | 86.4 | Confident | 85 Ų | 85 | 25 Ų | 25 | 37% | 0.37 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -57.9 | -41.2 | -170.5 | -67.5 | 179.4 | -175.4 | 168 | 0 | 114.3 | I349 S542 I546 R547 | I349-K544 HydrophobicContact CG2-CD 4.19Å; S542-K544 PolarHBondContact O-N 2.9Å; K544-I546 VanDerWaalsContact C-N 3.34Å; K544-I546 PolarHBondContact O-N 2.79Å; K544-R547 VanDerWaalsContact O-CB 3.3Å; K544-R547 WeakPolarHBondContact O-CB 3.18Å; K544-R547 PolarHBondContact O-N 3.23Å |
| 545 | E | 80.4 | Confident | 86 | Confident | 95 Ų | 95 | 25.8 Ų | 25.8 | 44% | 0.444 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -69 | -32 | -176.6 | -63.2 | -54.7 | 127.3 | 0 | 0 | 112.8 | W359 L543 | W359-E545 VanDerWaalsContact CH2-CD 3.4Å; W359-E545 HydrophobicContact CH2-CG 4.22Å; W359-E545 VanDerWaalsContact CH2-OE1 3.23Å; W359-E545 WeakPolarHBondContact CH2-OE1 3.31Å; W359-E545 HydrophobicContact CZ2-CG 4.14Å; L543-E545 PolarHBondContact O-N 3.29Å |
| 546 | I | 82 | Confident | 85.1 | Confident | 33 Ų | 33 | 31.6 Ų | 31.6 | 17% | 0.169 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -106.2 | 10.3 | 179.7 | 57.7 | 160.1 | 0 | 0 | 0 | 113 | I362 W389 L543 K544 S548 A549 I550 | I362-I546 HydrophobicContact CG2-CD1 3.87Å; I362-I546 HydrophobicContact CG2-CG1 4.22Å; W389-I546 HydrophobicContact CH2-CD1 3.47Å; W389-I546 VanDerWaalsContact CH2-CD1 3.47Å; W389-I546 HydrophobicContact CZ2-CD1 4.01Å; W389-I546 HydrophobicContact CZ3-CD1 4.3Å; L543-I546 HydrophobicContact CB-CD1 3.93Å; L543-I546 HydrophobicContact CB-CG1 3.61Å; L543-I546 HydrophobicContact CD1-CD1 3.82Å; L543-I546 HydrophobicContact CD1-CG1 4.46Å; L543-I546 HydrophobicContact CG-CD1 4.45Å; L543-I546 CarbonylContact O-C 3.49Å; L543-I546 PolarHBondContact O-N 3.48Å; K544-I546 VanDerWaalsContact C-N 3.34Å; K544-I546 PolarHBondContact O-N 2.79Å; I546-S548 VanDerWaalsContact C-N 3.29Å; I546-S548 PolarHBondContact O-N 2.86Å; I546-A549 WeakPolarHBondContact O-CB 3.49Å; I546-A549 PolarHBondContact O-N 3.22Å; I546-I550 HydrophobicContact CD1-CD1 4.21Å; I546-I550 HydrophobicContact CG1-CD1 4.11Å; I546-I550 PolarHBondContact O-N 3.29Å |
| 547 | R | 84.6 | Confident | 84.4 | Confident | 110 Ų | 110 | 33.8 Ų | 33.8 | 42% | 0.415 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -51.3 | -46.8 | 179.7 | 177.2 | 174.4 | 62.9 | 161.8 | 0.1 | 112.4 | S540 L543 K544 A549 I550 L551 | S540-R547 WeakPolarHBondContact O-CD 3.26Å; S540-R547 WeakPolarHBondContact OG-CG 3.29Å; L543-R547 PolarHBondContact O-N 2.83Å; K544-R547 VanDerWaalsContact O-CB 3.3Å; K544-R547 WeakPolarHBondContact O-CB 3.18Å; K544-R547 PolarHBondContact O-N 3.23Å; R547-A549 VanDerWaalsContact C-N 3.27Å; R547-A549 PolarHBondContact O-N 3.48Å; R547-I550 PolarHBondContact O-N 3.17Å; R547-L551 HydrophobicContact CG-CD1 4.1Å; R547-L551 HydrophobicContact CG-CG 4.44Å; R547-L551 WeakPolarHBondContact O-CG 3.46Å; R547-L551 PolarHBondContact O-N 3.02Å |
| 548 | S | 81.5 | Confident | 84 | Confident | 69 Ų | 69 | 36.3 Ų | 36.3 | 48% | 0.483 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.7 | -34 | -179.6 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | I546 A552 | I546-S548 VanDerWaalsContact C-N 3.29Å; I546-S548 PolarHBondContact O-N 2.86Å; S548-A552 WeakPolarHBondContact O-CB 3.25Å; S548-A552 PolarHBondContact O-N 3.43Å |
| 549 | A | 81.8 | Confident | 84 | Confident | 48 Ų | 48 | 36.2 Ų | 36.2 | 40% | 0.397 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -71.5 | -37 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I546 R547 G553 | I546-A549 WeakPolarHBondContact O-CB 3.49Å; I546-A549 PolarHBondContact O-N 3.22Å; R547-A549 VanDerWaalsContact C-N 3.27Å; R547-A549 PolarHBondContact O-N 3.48Å; A549-G553 PolarHBondContact O-N 3.34Å |
| 550 | I | 86.8 | Confident | 84 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -51.1 | 174.5 | -63.5 | 156.5 | 0 | 0 | 0 | 109.9 | W389 Y536 T539 L543 I546 R547 A552 G553 L554 | W389-I550 HydrophobicContact CD2-CB 4.41Å; W389-I550 HydrophobicContact CD2-CG1 3.8Å; W389-I550 HydrophobicContact CE3-CB 4.48Å; W389-I550 HydrophobicContact CE3-CG1 3.62Å; W389-I550 HydrophobicContact CG-CG1 4.46Å; W389-I550 HydrophobicContact CH2-CG1 4.11Å; W389-I550 HydrophobicContact CZ2-CG1 4.23Å; W389-I550 HydrophobicContact CZ3-CD1 4.35Å; W389-I550 HydrophobicContact CZ3-CG1 3.79Å; Y536-I550 HydrophobicContact CD1-CG2 4.37Å; T539-I550 HydrophobicContact CG2-CD1 3.83Å; T539-I550 HydrophobicContact CG2-CG1 4.44Å; L543-I550 HydrophobicContact CB-CD1 3.95Å; L543-I550 HydrophobicContact CD1-CD1 4.26Å; I546-I550 HydrophobicContact CD1-CD1 4.21Å; I546-I550 HydrophobicContact CG1-CD1 4.11Å; I546-I550 PolarHBondContact O-N 3.29Å; R547-I550 PolarHBondContact O-N 3.17Å; I550-A552 VanDerWaalsContact C-N 3.32Å; I550-A552 PolarHBondContact O-N 3.2Å; I550-G553 PolarHBondContact O-N 3.33Å; I550-G553 VanDerWaalsContact O-N 3.15Å; I550-L554 WeakPolarHBondContact O-CG 3.39Å; I550-L554 PolarHBondContact O-N 3.03Å |
| 551 | L | 88.3 | Confident | 84.1 | Confident | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.4 | -39 | 179.1 | -64.5 | 179.1 | 0 | 0 | 0 | 111.7 | R547 G553 L554 S555 I599 A603 N606 | R547-L551 HydrophobicContact CG-CD1 4.1Å; R547-L551 HydrophobicContact CG-CG 4.44Å; R547-L551 WeakPolarHBondContact O-CG 3.46Å; R547-L551 PolarHBondContact O-N 3.02Å; L551-G553 VanDerWaalsContact C-N 3.34Å; L551-L554 PolarHBondContact O-N 2.69Å; L551-S555 PolarHBondContact O-N 3.26Å; L551-S555 PolarHBondContact O-OG 3.42Å; L551-I599 HydrophobicContact CD2-CD1 3.9Å; L551-A603 HydrophobicContact CD2-CB 4.13Å; L551-N606 HydrophobicContact CB-CB 4.11Å; L551-N606 HydrophobicContact CD1-CB 4.05Å |
| 552 | A | 83.4 | Confident | 84.3 | Confident | 34 Ų | 34 | 36.1 Ų | 36.1 | 28% | 0.281 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S548 I550 L554 S555 L556 | S548-A552 WeakPolarHBondContact O-CB 3.25Å; S548-A552 PolarHBondContact O-N 3.43Å; I550-A552 VanDerWaalsContact C-N 3.32Å; I550-A552 PolarHBondContact O-N 3.2Å; A552-L554 VanDerWaalsContact C-N 3.3Å; A552-L554 PolarHBondContact O-N 2.87Å; A552-S555 WeakPolarHBondContact CA-OG 3.31Å; A552-S555 PolarHBondContact O-N 3.17Å; A552-S555 PolarHBondContact O-OG 3.26Å; A552-L556 WeakPolarHBondContact O-CG 3.37Å; A552-L556 PolarHBondContact O-N 3.09Å |
| 553 | G | 83.1 | Confident | 84.6 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 7% | 0.072 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.4 | -37.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A549 I550 L551 | A549-G553 PolarHBondContact O-N 3.34Å; I550-G553 PolarHBondContact O-N 3.33Å; I550-G553 VanDerWaalsContact O-N 3.15Å; L551-G553 VanDerWaalsContact C-N 3.34Å |
| 554 | L | 87.2 | Confident | 84.9 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -73.6 | -27.5 | 175.4 | -67.4 | 176.3 | 0 | 0 | 0 | 113.5 | V394 F398 Y536 I550 L551 A552 L556 L559 I599 | V394-L554 HydrophobicContact CG1-CD2 4.2Å; V394-L554 HydrophobicContact CG2-CD2 3.95Å; F398-L554 HydrophobicContact CE2-CD2 4.35Å; Y536-L554 HydrophobicContact CD1-CD1 3.89Å; Y536-L554 HydrophobicContact CD1-CD2 3.85Å; Y536-L554 HydrophobicContact CD1-CG 4.23Å; Y536-L554 HydrophobicContact CD2-CD2 4.14Å; Y536-L554 HydrophobicContact CE1-CD2 3.7Å; Y536-L554 HydrophobicContact CE1-CG 4.38Å; Y536-L554 HydrophobicContact CE2-CD2 3.98Å; Y536-L554 HydrophobicContact CG-CD1 3.96Å; Y536-L554 HydrophobicContact CG-CD2 4.07Å; I550-L554 WeakPolarHBondContact O-CG 3.39Å; I550-L554 PolarHBondContact O-N 3.03Å; L551-L554 PolarHBondContact O-N 2.69Å; A552-L554 VanDerWaalsContact C-N 3.3Å; A552-L554 PolarHBondContact O-N 2.87Å; L554-L556 VanDerWaalsContact C-N 3.28Å; L554-L559 HydrophobicContact CB-CD2 4.43Å; L554-L559 HydrophobicContact CD2-CD2 4.08Å; L554-I599 HydrophobicContact CD1-CD1 3.67Å; L554-I599 HydrophobicContact CD1-CG1 3.73Å |
| 555 | S | 83.2 | Confident | 85.3 | Confident | 15 Ų | 15 | 32.5 Ų | 32.5 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -3 | 178 | 65 | 0 | 0 | 0 | 0 | 113.7 | L551 A552 G557 | L551-S555 PolarHBondContact O-N 3.26Å; L551-S555 PolarHBondContact O-OG 3.42Å; A552-S555 WeakPolarHBondContact CA-OG 3.31Å; A552-S555 PolarHBondContact O-N 3.17Å; A552-S555 PolarHBondContact O-OG 3.26Å; S555-G557 PolarHBondContact O-N 3.36Å |
| 556 | L | 76.3 | Confident | 85.7 | Confident | 122 Ų | 122 | 28 Ų | 28 | 64% | 0.639 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -75.4 | 116.8 | 174.9 | -68.4 | 171.1 | 0 | 0 | 0 | 110.2 | A552 L554 | A552-L556 WeakPolarHBondContact O-CG 3.37Å; A552-L556 PolarHBondContact O-N 3.09Å; L554-L556 VanDerWaalsContact C-N 3.28Å |
| 557 | G | 78.1 | Confident | 86.1 | Confident | 46 Ų | 46 | 26.5 Ų | 26.5 | 47% | 0.474 | 16% | 0.161 | S | C | . | . | S | Bend | trans | 96.4 | -147.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S555 | S555-G557 PolarHBondContact O-N 3.36Š|
| 558 | D | 83.3 | Confident | 86.1 | Confident | 57 Ų | 57 | 21.4 Ų | 21.4 | 31% | 0.305 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -106.8 | 15.8 | -170.7 | 63.6 | -26.5 | 0 | 0 | 0 | 113.4 | Y402 P561 R562 | Y402-D558 WeakPolarHBondContact CE1-OD1 3.32Å; D558-P561 WeakPolarHBondContact O-CD 3.45Å; D558-R562 VanDerWaalsContact O-CG 3.26Å; D558-R562 WeakPolarHBondContact O-CG 3.19Å; D558-R562 PolarHBondContact O-N 2.93Å; D558-R562 IonicContact OD1-NE 3.84Å; D558-R562 IonicContact OD2-CZ 3.22Å; D558-R562 IonicContact OD2-NE 2.61Å; D558-R562 PolarHBondContact OD2-NE 3.3Å; D558-R562 IonicContact OD2-NH2 3.68Å; D558-R562 PolarHBondContact OD2-NH2 3.35Å |
| 559 | L | 89.6 | Confident | 86.1 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60 | -52.9 | 177.9 | 179.2 | 64.6 | 0 | 0 | 0 | 112.5 | V394 F398 L401 Y402 L554 R562 M563 | V394-L559 HydrophobicContact CG1-CD2 3.68Å; F398-L559 HydrophobicContact CB-CD1 3.92Å; F398-L559 HydrophobicContact CD1-CD1 3.95Å; F398-L559 HydrophobicContact CD2-CD1 3.86Å; F398-L559 HydrophobicContact CD2-CD2 3.97Å; F398-L559 HydrophobicContact CE1-CD1 4.4Å; F398-L559 HydrophobicContact CE2-CD1 4.31Å; F398-L559 HydrophobicContact CE2-CD2 3.86Å; F398-L559 HydrophobicContact CG-CD1 3.66Å; F398-L559 HydrophobicContact CZ-CD2 4.4Å; L401-L559 HydrophobicContact CD2-CD1 3.68Å; Y402-L559 HydrophobicContact CE2-CD1 4.17Å; L554-L559 HydrophobicContact CB-CD2 4.43Å; L554-L559 HydrophobicContact CD2-CD2 4.08Å; L559-R562 WeakPolarHBondContact O-CB 3.3Å; L559-R562 PolarHBondContact O-N 3.34Å; L559-M563 HydrophobicContact CD1-CG 4.27Å; L559-M563 HydrophobicContact CD1-SD 4.27Å; L559-M563 HydrophobicContact CD2-SD 4.31Å; L559-M563 HydrophobicContact CG-CG 4.35Å; L559-M563 HydrophobicContact CG-SD 3.9Å; L559-M563 WeakPolarHBondContact O-CG 3.18Å; L559-M563 PolarHBondContact O-N 3.45Å |
| 560 | L | 92 | Very high | 86.2 | Confident | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.5 | -41.5 | -175.1 | -55.6 | 178.9 | 0 | 0 | 0 | 112.8 | R562 M563 W564 F600 A603 L607 F623 | L560-R562 VanDerWaalsContact C-N 3.35Å; L560-R562 PolarHBondContact O-N 3.02Å; L560-M563 HydrophobicContact CD2-SD 4.04Å; L560-M563 WeakPolarHBondContact O-CB 3.39Å; L560-M563 PolarHBondContact O-N 2.78Å; L560-W564 PolarHBondContact O-N 3.24Å; L560-F600 WeakPolarHBondContact O-CE2 3.41Å; L560-A603 HydrophobicContact CD1-CB 4.13Å; L560-A603 HydrophobicContact CD2-CB 3.62Å; L560-L607 HydrophobicContact CD1-CB 4.27Å; L560-L607 HydrophobicContact CD1-CD2 3.75Å; L560-F623 HydrophobicContact CB-CE1 4.39Å; L560-F623 HydrophobicContact CB-CE2 4.36Å; L560-F623 HydrophobicContact CB-CZ 3.65Å |
| 561 | P | 89.2 | Confident | 86 | Confident | 3 Ų | 3 | 16.7 Ų | 16.7 | 2% | 0.019 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.3 | -43.3 | 170.2 | -27.5 | 35.8 | 0 | 0 | 0 | 113.4 | D558 M563 W564 R565 S622 F623 | D558-P561 WeakPolarHBondContact O-CD 3.45Å; P561-M563 PolarHBondContact O-N 2.8Å; P561-W564 WeakPolarHBondContact O-CB 3.26Å; P561-W564 PolarHBondContact O-N 3.47Å; P561-R565 WeakPolarHBondContact O-CG 3.09Å; P561-R565 PolarHBondContact O-N 3.3Å; P561-S622 WeakPolarHBondContact CG-O 3.27Å; P561-F623 HydrophobicContact CB-CD1 4.43Å; P561-F623 HydrophobicContact CB-CE1 4.37Å; P561-F623 HydrophobicContact CG-CD1 4.08Å; P561-F623 HydrophobicContact CG-CE1 4.03Å |
| 562 | R | 88.4 | Confident | 85.9 | Confident | 18 Ų | 18 | 16.2 Ų | 16.2 | 7% | 0.068 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 176 | -68.8 | 169.6 | -176.3 | -74 | -9.3 | 112.1 | L401 Q404 L407 N408 D558 L559 L560 W564 R565 L566 | L401-R562 HydrophobicContact CD1-CB 4.25Å; L401-R562 HydrophobicContact CD2-CB 3.97Å; L401-R562 HydrophobicContact CG-CB 3.89Å; Q404-R562 PolarHBondContact O-NH1 3.08Å; L407-R562 HydrophobicContact CB-CG 4.3Å; N408-R562 PolarHBondContact OD1-NH1 3.25Å; N408-R562 PolarHBondContact OD1-NH2 3.32Å; D558-R562 VanDerWaalsContact O-CG 3.26Å; D558-R562 WeakPolarHBondContact O-CG 3.19Å; D558-R562 PolarHBondContact O-N 2.93Å; D558-R562 IonicContact OD1-NE 3.84Å; D558-R562 IonicContact OD2-CZ 3.22Å; D558-R562 IonicContact OD2-NE 2.61Å; D558-R562 PolarHBondContact OD2-NE 3.3Å; D558-R562 IonicContact OD2-NH2 3.68Å; D558-R562 PolarHBondContact OD2-NH2 3.35Å; L559-R562 WeakPolarHBondContact O-CB 3.3Å; L559-R562 PolarHBondContact O-N 3.34Å; L560-R562 VanDerWaalsContact C-N 3.35Å; L560-R562 PolarHBondContact O-N 3.02Å; R562-W564 VanDerWaalsContact C-N 3.35Å; R562-R565 PolarHBondContact O-N 3.08Å; R562-L566 PolarHBondContact O-N 3.09Å |
| 563 | M | 92 | Very high | 86.2 | Confident | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.5 | -42.1 | 174.6 | -70.4 | 176.2 | 73.6 | 0 | 0 | 111.6 | L401 L559 L560 P561 L566 I567 L596 I599 F600 | L401-M563 HydrophobicContact CD2-CG 3.78Å; L559-M563 HydrophobicContact CD1-CG 4.27Å; L559-M563 HydrophobicContact CD1-SD 4.27Å; L559-M563 HydrophobicContact CD2-SD 4.31Å; L559-M563 HydrophobicContact CG-CG 4.35Å; L559-M563 HydrophobicContact CG-SD 3.9Å; L559-M563 WeakPolarHBondContact O-CG 3.18Å; L559-M563 PolarHBondContact O-N 3.45Å; L560-M563 HydrophobicContact CD2-SD 4.04Å; L560-M563 WeakPolarHBondContact O-CB 3.39Å; L560-M563 PolarHBondContact O-N 2.78Å; P561-M563 PolarHBondContact O-N 2.8Å; M563-L566 PolarHBondContact O-N 3.2Å; M563-I567 VanDerWaalsContact O-CG1 3.31Å; M563-I567 WeakPolarHBondContact O-CG1 3.23Å; M563-I567 PolarHBondContact O-N 2.68Å; M563-L596 HydrophobicContact CE-CD1 3.57Å; M563-L596 HydrophobicContact CG-CD1 4.4Å; M563-I599 HydrophobicContact CE-CG2 3.47Å; M563-I599 VanDerWaalsContact CE-CG2 3.47Å; M563-F600 HydrophobicContact CB-CD2 3.89Å; M563-F600 HydrophobicContact CE-CB 3.7Å |
| 564 | W | 92.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.2 | -50.9 | 175.9 | 172.3 | -119.7 | 0 | 0 | 0 | 111.6 | L560 P561 R562 L566 I567 S568 F600 F623 S630 M631 F634 F635 | L560-W564 PolarHBondContact O-N 3.24Å; P561-W564 WeakPolarHBondContact O-CB 3.26Å; P561-W564 PolarHBondContact O-N 3.47Å; R562-W564 VanDerWaalsContact C-N 3.35Å; W564-L566 VanDerWaalsContact C-N 3.26Å; W564-L566 PolarHBondContact O-N 3.36Å; W564-I567 HydrophobicContact CE3-CB 4.38Å; W564-I567 HydrophobicContact CE3-CG2 4.32Å; W564-I567 HydrophobicContact CZ3-CG2 4.05Å; W564-I567 PolarHBondContact O-N 2.88Å; W564-S568 WeakPolarHBondContact O-CB 3.14Å; W564-S568 PolarHBondContact O-N 3.11Å; W564-F600 HydrophobicContact CB-CE2 3.67Å; W564-F600 HydrophobicContact CB-CZ 3.69Å; W564-F600 HydrophobicContact CD2-CZ 4.1Å; W564-F600 AromaticContact CE3-CE1 3.67Å; W564-F600 HydrophobicContact CE3-CE1 3.67Å; W564-F600 AromaticContact CE3-CZ 3.57Å; W564-F600 HydrophobicContact CE3-CZ 3.57Å; W564-F600 HydrophobicContact CG-CZ 4.17Å; W564-F600 HydrophobicContact CZ3-CE1 4.29Å; W564-F623 HydrophobicContact CB-CE1 4.25Å; W564-S630 VanDerWaalsContact CZ2-C 3.48Å; W564-S630 WeakPolarHBondContact CZ2-OG 3.22Å; W564-M631 HydrophobicContact CD2-CG 3.35Å; W564-M631 HydrophobicContact CD2-SD 4.1Å; W564-M631 HydrophobicContact CE3-CG 3.6Å; W564-M631 HydrophobicContact CE3-SD 4.45Å; W564-M631 HydrophobicContact CG-CG 3.99Å; W564-M631 HydrophobicContact CG-SD 4.19Å; W564-M631 HydrophobicContact CH2-CB 4.23Å; W564-M631 HydrophobicContact CH2-CG 3.77Å; W564-M631 HydrophobicContact CZ2-CB 4.12Å; W564-M631 HydrophobicContact CZ2-CG 3.5Å; W564-M631 VanDerWaalsContact CZ2-N 3.34Å; W564-M631 HydrophobicContact CZ3-CG 3.8Å; W564-F634 HydrophobicContact CH2-CB 3.65Å; W564-F634 AromaticContact CH2-CD1 3.83Å; W564-F634 HydrophobicContact CH2-CD1 3.83Å; W564-F634 AromaticContact CH2-CG 3.79Å; W564-F634 HydrophobicContact CH2-CG 3.79Å; W564-F634 HydrophobicContact CZ3-CB 4.49Å; W564-F634 AromaticContact CZ3-CD1 3.85Å; W564-F634 HydrophobicContact CZ3-CD1 3.85Å; W564-F634 HydrophobicContact CZ3-CE1 4.37Å; W564-F634 HydrophobicContact CZ3-CG 4.27Å; W564-F635 AromaticContact CZ3-CE2 4Å; W564-F635 HydrophobicContact CZ3-CE2 4Å |
| 565 | R | 87.2 | Confident | 86.6 | Confident | 7 Ų | 7 | 20.5 Ų | 20.5 | 3% | 0.026 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.4 | -43 | 177.6 | -69.1 | 169.8 | -163.2 | 141.5 | 8 | 110.8 | L407 Y508 P561 R562 S568 C569 E627 | L407-R565 HydrophobicContact CD2-CB 3.64Å; L407-R565 WeakPolarHBondContact O-CD 3.26Å; L407-R565 PolarHBondContact O-NH1 3.23Å; Y508-R565 HydrophobicContact CD1-CB 4.36Å; Y508-R565 HydrophobicContact CD1-CG 4.08Å; Y508-R565 HydrophobicContact CE1-CB 4.18Å; Y508-R565 HydrophobicContact CE1-CG 3.95Å; Y508-R565 HydrophobicContact CG-CG 4.47Å; P561-R565 WeakPolarHBondContact O-CG 3.09Å; P561-R565 PolarHBondContact O-N 3.3Å; R562-R565 PolarHBondContact O-N 3.08Å; R565-S568 PolarHBondContact O-N 2.92Å; R565-S568 PolarHBondContact O-OG 3.37Å; R565-C569 PolarHBondContact O-N 3.18Å; R565-C569 VanDerWaalsContact O-N 3.15Å; R565-C569 PolarHBondContact O-SG 3.38Å; R565-C569 VanDerWaalsContact O-SG 3.33Å; R565-E627 IonicContact CZ-OE1 2.69Å; R565-E627 IonicContact NE-OE1 3.52Å; R565-E627 PolarHBondContact NE-OE1 3.3Å; R565-E627 IonicContact NH2-OE1 3.74Å; R565-E627 PolarHBondContact NH2-OE1 2.89Å; R565-E627 IonicContact NH2-OE2 3.64Å |
| 566 | L | 88.5 | Confident | 87 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 174 | -179.4 | 63.5 | 0 | 0 | 0 | 112.8 | L401 L481 F484 L485 L525 L529 R562 M563 W564 S568 C569 C570 L596 | L401-L566 HydrophobicContact CD1-CB 4.46Å; L401-L566 HydrophobicContact CD1-CD2 4.09Å; L481-L566 HydrophobicContact CD1-CD1 4.02Å; L481-L566 HydrophobicContact CD1-CD2 4.27Å; F484-L566 HydrophobicContact CD1-CD1 4.47Å; F484-L566 HydrophobicContact CE1-CD1 4.01Å; L485-L566 HydrophobicContact CD2-CD1 4.05Å; L525-L566 HydrophobicContact CD2-CD1 4.3Å; L525-L566 HydrophobicContact CD2-CD2 4.17Å; L525-L566 HydrophobicContact CD2-CG 4.38Å; L529-L566 HydrophobicContact CD2-CD2 3.39Å; R562-L566 PolarHBondContact O-N 3.09Å; M563-L566 PolarHBondContact O-N 3.2Å; W564-L566 VanDerWaalsContact C-N 3.26Å; W564-L566 PolarHBondContact O-N 3.36Å; L566-S568 VanDerWaalsContact C-N 3.32Å; L566-S568 PolarHBondContact O-N 2.91Å; L566-C569 PolarHBondContact O-N 3.47Å; L566-C570 WeakPolarHBondContact O-CB 3.13Å; L566-C570 PolarHBondContact O-N 3.49Å; L566-C570 VanDerWaalsContact O-N 3.08Å; L566-L596 HydrophobicContact CD2-CD2 3.94Å; L566-L596 HydrophobicContact CG-CD2 4.36Å |
| 567 | I | 90.7 | Very high | 87.6 | Confident | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 177.2 | -70.8 | 165.7 | 0 | 0 | 0 | 110.6 | M563 W564 C569 C570 W576 L596 M597 F600 F634 | M563-I567 VanDerWaalsContact O-CG1 3.31Å; M563-I567 WeakPolarHBondContact O-CG1 3.23Å; M563-I567 PolarHBondContact O-N 2.68Å; W564-I567 HydrophobicContact CE3-CB 4.38Å; W564-I567 HydrophobicContact CE3-CG2 4.32Å; W564-I567 HydrophobicContact CZ3-CG2 4.05Å; W564-I567 PolarHBondContact O-N 2.88Å; I567-C569 VanDerWaalsContact C-N 3.29Å; I567-C569 PolarHBondContact O-N 3.49Å; I567-C570 PolarHBondContact O-N 3.04Å; I567-W576 HydrophobicContact CB-CZ2 4.42Å; I567-W576 HydrophobicContact CG1-CH2 4.47Å; I567-W576 HydrophobicContact CG1-CZ2 4.21Å; I567-W576 HydrophobicContact CG2-CZ2 4.13Å; I567-L596 HydrophobicContact CD1-CG 4.31Å; I567-L596 HydrophobicContact CG1-CD2 3.97Å; I567-L596 HydrophobicContact CG1-CG 4.11Å; I567-M597 HydrophobicContact CD1-CE 4.39Å; I567-M597 HydrophobicContact CD1-SD 4.35Å; I567-M597 HydrophobicContact CG2-CE 3.59Å; I567-F600 HydrophobicContact CD1-CB 3.75Å; I567-F600 HydrophobicContact CD1-CD1 3.41Å; I567-F600 VanDerWaalsContact CD1-CD1 3.41Å; I567-F600 HydrophobicContact CD1-CD2 4.28Å; I567-F600 HydrophobicContact CD1-CE1 4.07Å; I567-F600 HydrophobicContact CD1-CG 3.53Å; I567-F634 HydrophobicContact CG2-CE1 4.11Å; I567-F634 HydrophobicContact CG2-CZ 4.08Å |
| 568 | S | 86.1 | Confident | 88.2 | Confident | 4 Ų | 4 | 15 Ų | 15 | 3% | 0.028 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.3 | -29.3 | -178.7 | 76.9 | 0 | 0 | 0 | 0 | 113.7 | W564 R565 L566 | W564-S568 WeakPolarHBondContact O-CB 3.14Å; W564-S568 PolarHBondContact O-N 3.11Å; R565-S568 PolarHBondContact O-N 2.92Å; R565-S568 PolarHBondContact O-OG 3.37Å; L566-S568 VanDerWaalsContact C-N 3.32Å; L566-S568 PolarHBondContact O-N 2.91Å |
| 569 | C | 81.2 | Confident | 88.5 | Confident | 15 Ų | 15 | 12.8 Ų | 12.8 | 10% | 0.101 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -89.2 | -18.6 | 177.5 | -63.5 | 0 | 0 | 0 | 0 | 113.4 | R565 L566 I567 | R565-C569 PolarHBondContact O-N 3.18Å; R565-C569 VanDerWaalsContact O-N 3.15Å; R565-C569 PolarHBondContact O-SG 3.38Å; R565-C569 VanDerWaalsContact O-SG 3.33Å; L566-C569 PolarHBondContact O-N 3.47Å; I567-C569 VanDerWaalsContact C-N 3.29Å; I567-C569 PolarHBondContact O-N 3.49Å |
| 570 | C | 83.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -95.5 | 104.8 | -172.1 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | F484 G521 P522 L566 I567 W576 | F484-C570 HydrophobicContact CZ-CB 4.32Å; G521-C570 PolarHBondContact O-SG 3.16Å; G521-C570 VanDerWaalsContact O-SG 3.41Å; P522-C570 WeakPolarHBondContact CA-SG 3.35Å; P522-C570 VanDerWaalsContact N-SG 3.39Å; L566-C570 WeakPolarHBondContact O-CB 3.13Å; L566-C570 PolarHBondContact O-N 3.49Å; L566-C570 VanDerWaalsContact O-N 3.08Å; I567-C570 PolarHBondContact O-N 3.04Å; C570-W576 HydrophobicContact CB-CZ2 4.37Å; C570-W576 PolarHBondContact O-NE1 2.96Å |
| 571 | G | 82.7 | Confident | 88 | Confident | 3 Ų | 3 | 15.1 Ų | 15.1 | 3% | 0.031 | 7% | 0.07 | C | C | . | . | S | Bend | trans | 69.2 | -169.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | P520 | P520-G571 PolarHBondContact O-N 3.17Š|
| 572 | S | 87.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -104 | 167.5 | 175.2 | 67.2 | 0 | 0 | 0 | 0 | 112 | S513 R574 D575 W576 | S513-S572 WeakPolarHBondContact O-CB 3.4Å; S572-R574 PolarHBondContact O-N 3.03Å; S572-R574 PolarHBondContact OG-N 3.36Å; S572-D575 WeakPolarHBondContact CB-OD2 2.94Å; S572-D575 PolarHBondContact N-OD2 3.32Å; S572-D575 PolarHBondContact O-N 3Å; S572-D575 VanDerWaalsContact O-N 3.09Å; S572-D575 PolarHBondContact OG-N 3.45Å; S572-D575 PolarHBondContact OG-OD2 2.96Å; S572-W576 PolarHBondContact O-N 3.42Å | ||
| 573 | V | 88.5 | Confident | 87.1 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.012 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -52.6 | -39.1 | 171.3 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | N511 L512 W576 A577 F634 H637 L638 E641 | N511-V573 PolarHBondContact O-N 2.91Å; N511-V573 VanDerWaalsContact O-N 3.13Å; L512-V573 HydrophobicContact CD2-CG2 4.08Å; V573-W576 PolarHBondContact O-N 3.15Å; V573-A577 WeakPolarHBondContact O-CB 3.38Å; V573-A577 PolarHBondContact O-N 2.89Å; V573-F634 HydrophobicContact CG2-CD2 3.72Å; V573-F634 HydrophobicContact CG2-CE2 3.93Å; V573-H637 HydrophobicContact CG1-CB 4.02Å; V573-H637 HydrophobicContact CG2-CB 4.3Å; V573-L638 HydrophobicContact CG1-CB 4.15Å; V573-L638 HydrophobicContact CG1-CD1 4.37Å; V573-E641 HydrophobicContact CG1-CB 4.42Å; V573-E641 HydrophobicContact CG1-CG 4.17Å |
| 574 | R | 88.1 | Confident | 85.8 | Confident | 99 Ų | 99 | 23.3 Ų | 23.3 | 37% | 0.374 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -67.2 | -37.5 | 178.6 | -175.6 | 168.2 | -178.9 | 166.5 | 6.6 | 113 | T514 S572 W576 A577 H578 | T514-R574 WeakPolarHBondContact O-CD 3.33Å; T514-R574 PolarHBondContact O-NH1 3.48Å; S572-R574 PolarHBondContact O-N 3.03Å; S572-R574 PolarHBondContact OG-N 3.36Å; R574-W576 VanDerWaalsContact C-N 3.33Å; R574-A577 PolarHBondContact O-N 2.95Å; R574-H578 PolarHBondContact O-CD2 2.99Å; R574-H578 PolarHBondContact O-N 2.69Å |
| 575 | D | 90 | Very high | 83.8 | Confident | 33 Ų | 33 | 27.9 Ų | 27.9 | 18% | 0.176 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 176.4 | -57.8 | -45.1 | 0 | 0 | 0 | 110.5 | P522 S572 H578 V579 | P522-D575 HydrophobicContact CG-CB 4.21Å; S572-D575 WeakPolarHBondContact CB-OD2 2.94Å; S572-D575 PolarHBondContact N-OD2 3.32Å; S572-D575 PolarHBondContact O-N 3Å; S572-D575 VanDerWaalsContact O-N 3.09Å; S572-D575 PolarHBondContact OG-N 3.45Å; S572-D575 PolarHBondContact OG-OD2 2.96Å; D575-H578 WeakPolarHBondContact O-CB 3.34Å; D575-H578 PolarHBondContact O-N 2.73Å; D575-V579 WeakPolarHBondContact O-CG2 3.46Å; D575-V579 PolarHBondContact O-N 2.9Å; D575-V579 VanDerWaalsContact O-N 3.09Å |
| 576 | W | 92.4 | Very high | 82.2 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.3 | -34.7 | 173.5 | -75.2 | 107 | 0 | 0 | 0 | 113.3 | P522 L525 I567 C570 S572 V573 R574 H578 V579 I580 L596 M597 F634 L638 | P522-W576 HydrophobicContact CB-CD2 4.41Å; P522-W576 HydrophobicContact CB-CE3 4.31Å; P522-W576 HydrophobicContact CB-CH2 3.98Å; P522-W576 HydrophobicContact CB-CZ2 4.08Å; P522-W576 HydrophobicContact CB-CZ3 4.09Å; P522-W576 HydrophobicContact CG-CD2 3.79Å; P522-W576 HydrophobicContact CG-CE3 4.16Å; P522-W576 HydrophobicContact CG-CG 4.23Å; P522-W576 HydrophobicContact CG-CH2 4.25Å; P522-W576 HydrophobicContact CG-CZ2 3.88Å; P522-W576 HydrophobicContact CG-CZ3 4.37Å; L525-W576 HydrophobicContact CD1-CH2 4.49Å; I567-W576 HydrophobicContact CB-CZ2 4.42Å; I567-W576 HydrophobicContact CG1-CH2 4.47Å; I567-W576 HydrophobicContact CG1-CZ2 4.21Å; I567-W576 HydrophobicContact CG2-CZ2 4.13Å; C570-W576 HydrophobicContact CB-CZ2 4.37Å; C570-W576 PolarHBondContact O-NE1 2.96Å; S572-W576 PolarHBondContact O-N 3.42Å; V573-W576 PolarHBondContact O-N 3.15Å; R574-W576 VanDerWaalsContact C-N 3.33Å; W576-H578 VanDerWaalsContact C-N 3.35Å; W576-V579 HydrophobicContact CE3-CB 4.31Å; W576-V579 HydrophobicContact CE3-CG1 4.36Å; W576-V579 HydrophobicContact CE3-CG2 4.41Å; W576-V579 HydrophobicContact CZ3-CG1 4.47Å; W576-V579 WeakPolarHBondContact O-CB 3.31Å; W576-V579 PolarHBondContact O-N 3.38Å; W576-V579 VanDerWaalsContact O-N 3.17Å; W576-I580 WeakPolarHBondContact O-CG1 3.5Å; W576-I580 PolarHBondContact O-N 3Å; W576-L596 HydrophobicContact CH2-CD2 4.3Å; W576-M597 HydrophobicContact CD2-CE 3.5Å; W576-M597 HydrophobicContact CE3-CB 4.18Å; W576-M597 HydrophobicContact CE3-CE 3.46Å; W576-M597 VanDerWaalsContact CE3-CE 3.46Å; W576-M597 HydrophobicContact CG-CE 4.03Å; W576-M597 HydrophobicContact CH2-CE 4.25Å; W576-M597 HydrophobicContact CZ2-CE 4.29Å; W576-M597 HydrophobicContact CZ3-CB 3.78Å; W576-M597 HydrophobicContact CZ3-CE 3.86Å; W576-F634 HydrophobicContact CB-CZ 4.13Å; W576-F634 AromaticContact CD1-CE2 3.87Å; W576-F634 AromaticContact CD1-CZ 3.57Å; W576-F634 HydrophobicContact CG-CE2 4.48Å; W576-F634 AromaticContact CG-CZ 3.83Å; W576-F634 HydrophobicContact CG-CZ 3.83Å; W576-L638 HydrophobicContact CB-CD1 3.67Å |
| 577 | A | 90 | Very high | 80.6 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V573 R574 V579 I580 M581 L638 E641 M645 | V573-A577 WeakPolarHBondContact O-CB 3.38Å; V573-A577 PolarHBondContact O-N 2.89Å; R574-A577 PolarHBondContact O-N 2.95Å; A577-V579 VanDerWaalsContact C-N 3.31Å; A577-V579 PolarHBondContact O-N 3.27Å; A577-I580 PolarHBondContact O-N 3.33Å; A577-M581 WeakPolarHBondContact O-CG 3.22Å; A577-M581 PolarHBondContact O-N 3.2Å; A577-L638 HydrophobicContact CB-CD1 4.11Å; A577-E641 HydrophobicContact CB-CB 4.4Å; A577-M645 HydrophobicContact CB-SD 3.6Å; A577-M645 VanDerWaalsContact CB-SD 3.6Å |
| 578 | H | 89.2 | Confident | 79.3 | Confident | 66 Ų | 66 | 36.5 Ų | 36.5 | 31% | 0.306 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.5 | -39.7 | 171.2 | -78.5 | -68.4 | 0 | 0 | 0 | 112.3 | R574 D575 W576 M581 N582 M645 | R574-H578 PolarHBondContact O-CD2 2.99Å; R574-H578 PolarHBondContact O-N 2.69Å; D575-H578 WeakPolarHBondContact O-CB 3.34Å; D575-H578 PolarHBondContact O-N 2.73Å; W576-H578 VanDerWaalsContact C-N 3.35Å; H578-M581 PolarHBondContact O-N 2.98Å; H578-N582 WeakPolarHBondContact O-CB 3.37Å; H578-N582 VanDerWaalsContact O-CG 3.27Å; H578-N582 PolarHBondContact O-N 3.24Å; H578-N582 PolarHBondContact O-ND2 3.44Å; H578-M645 WeakPolarHBondContact CE1-CE 3.3Å; H578-M645 WeakPolarHBondContact ND1-CE 3.16Å; H578-M645 WeakPolarHBondContact NE2-CE 3.37Å |
| 579 | V | 89.4 | Confident | 78.9 | Confident | 9 Ų | 9 | 39 Ų | 39 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 174.7 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | P522 D575 W576 A577 M581 N582 S583 E593 | P522-V579 HydrophobicContact CB-CG2 3.9Å; P522-V579 HydrophobicContact CG-CG2 4.28Å; D575-V579 WeakPolarHBondContact O-CG2 3.46Å; D575-V579 PolarHBondContact O-N 2.9Å; D575-V579 VanDerWaalsContact O-N 3.09Å; W576-V579 HydrophobicContact CE3-CB 4.31Å; W576-V579 HydrophobicContact CE3-CG1 4.36Å; W576-V579 HydrophobicContact CE3-CG2 4.41Å; W576-V579 HydrophobicContact CZ3-CG1 4.47Å; W576-V579 WeakPolarHBondContact O-CB 3.31Å; W576-V579 PolarHBondContact O-N 3.38Å; W576-V579 VanDerWaalsContact O-N 3.17Å; A577-V579 VanDerWaalsContact C-N 3.31Å; A577-V579 PolarHBondContact O-N 3.27Å; V579-M581 VanDerWaalsContact C-N 3.34Å; V579-M581 PolarHBondContact O-N 3.07Å; V579-N582 PolarHBondContact O-N 3.38Å; V579-S583 VanDerWaalsContact O-CB 3.31Å; V579-S583 WeakPolarHBondContact O-CB 3.49Å; V579-S583 PolarHBondContact O-N 3.48Å; V579-S583 PolarHBondContact O-OG 2.89Å; V579-E593 HydrophobicContact CG1-CG 4Å; V579-E593 HydrophobicContact CG2-CG 3.78Å |
| 580 | I | 88 | Confident | 79 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 175.7 | -69.2 | 177.5 | 0 | 0 | 0 | 110.5 | W576 A577 S583 L638 L694 F695 | W576-I580 WeakPolarHBondContact O-CG1 3.5Å; W576-I580 PolarHBondContact O-N 3Å; A577-I580 PolarHBondContact O-N 3.33Å; I580-S583 PolarHBondContact O-N 3.26Å; I580-S583 PolarHBondContact O-OG 3.42Å; I580-L638 HydrophobicContact CD1-CD1 3.86Å; I580-L638 HydrophobicContact CD1-CD2 3.82Å; I580-L638 HydrophobicContact CD1-CG 3.75Å; I580-L694 HydrophobicContact CG1-CD2 3.85Å; I580-L694 HydrophobicContact CG1-CG 4.04Å; I580-F695 HydrophobicContact CG2-CB 3.84Å; I580-F695 HydrophobicContact CG2-CD2 4.2Å |
| 581 | M | 83.4 | Confident | 79.3 | Confident | 52 Ų | 52 | 44 Ų | 44 | 26% | 0.256 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.9 | -45.7 | -179.5 | -66.5 | 174 | 79.4 | 0 | 0 | 112.4 | A577 H578 V579 S583 Q584 M645 V646 | A577-M581 WeakPolarHBondContact O-CG 3.22Å; A577-M581 PolarHBondContact O-N 3.2Å; H578-M581 PolarHBondContact O-N 2.98Å; V579-M581 VanDerWaalsContact C-N 3.34Å; V579-M581 PolarHBondContact O-N 3.07Å; M581-S583 VanDerWaalsContact C-N 3.26Å; M581-S583 PolarHBondContact O-N 3.28Å; M581-Q584 PolarHBondContact O-N 3.07Å; M581-M645 HydrophobicContact CE-CB 3.85Å; M581-M645 WeakPolarHBondContact CE-O 3.43Å; M581-M645 HydrophobicContact SD-CB 3.48Å; M581-M645 WeakPolarHBondContact SD-CB 3.46Å; M581-M645 HydrophobicContact SD-CE 3.52Å; M581-M645 VanDerWaalsContact SD-CE 3.52Å; M581-M645 HydrophobicContact SD-CG 4.32Å; M581-M645 HydrophobicContact SD-SD 4.01Å; M581-V646 HydrophobicContact CE-CG2 3.88Å; M581-V646 HydrophobicContact CG-CG2 4.38Å |
| 582 | N | 81.7 | Confident | 79.6 | Confident | 96 Ų | 96 | 45 Ų | 45 | 51% | 0.513 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.2 | -28.4 | 180 | -69.8 | -14.1 | 0 | 0 | 0 | 112.4 | H578 V579 Q584 S585 | H578-N582 WeakPolarHBondContact O-CB 3.37Å; H578-N582 VanDerWaalsContact O-CG 3.27Å; H578-N582 PolarHBondContact O-N 3.24Å; H578-N582 PolarHBondContact O-ND2 3.44Å; V579-N582 PolarHBondContact O-N 3.38Å; N582-Q584 VanDerWaalsContact C-N 3.27Å; N582-Q584 PolarHBondContact O-N 3.31Å; N582-S585 PolarHBondContact O-OG 3.22Å; N582-S585 VanDerWaalsContact O-OG 3.12Å |
| 583 | S | 77.7 | Confident | 79.7 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.3 | -17.6 | -179.5 | 73.4 | 0 | 0 | 0 | 0 | 114.7 | V579 I580 M581 S585 | V579-S583 VanDerWaalsContact O-CB 3.31Å; V579-S583 WeakPolarHBondContact O-CB 3.49Å; V579-S583 PolarHBondContact O-N 3.48Å; V579-S583 PolarHBondContact O-OG 2.89Å; I580-S583 PolarHBondContact O-N 3.26Å; I580-S583 PolarHBondContact O-OG 3.42Å; M581-S583 VanDerWaalsContact C-N 3.26Å; M581-S583 PolarHBondContact O-N 3.28Å; S583-S585 VanDerWaalsContact C-N 3.3Å; S583-S585 PolarHBondContact O-N 3.36Å |
| 584 | Q | 64.1 | Low | 79.8 | Confident | 77 Ų | 77 | 46.4 Ų | 46.4 | 36% | 0.36 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -21.2 | -175.9 | -66.8 | -178.2 | 3.5 | 0 | 0 | 113.6 | M581 N582 | M581-Q584 PolarHBondContact O-N 3.07Å; N582-Q584 VanDerWaalsContact C-N 3.27Å; N582-Q584 PolarHBondContact O-N 3.31Å |
| 585 | S | 51.5 | Low | 80 | Confident | 97 Ų | 97 | 42.1 Ų | 42.1 | 68% | 0.678 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -92.6 | -23.8 | -171.1 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | N582 S583 | N582-S585 PolarHBondContact O-OG 3.22Å; N582-S585 VanDerWaalsContact O-OG 3.12Å; S583-S585 VanDerWaalsContact C-N 3.3Å; S583-S585 PolarHBondContact O-N 3.36Å |
| 586 | V | 52.2 | Low | 80.2 | Confident | 81 Ų | 81 | 40.6 Ų | 40.6 | 49% | 0.491 | 22% | 0.222 | S | C | . | . | trans | -145.3 | 126 | -170.6 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | H588 | V586-H588 PolarHBondContact O-CD2 3.07Å; V586-H588 PolarHBondContact O-N 3.06Å | ||
| 587 | C | 55.3 | Low | 80.2 | Confident | 64 Ų | 64 | 40.6 Ų | 40.6 | 43% | 0.432 | 22% | 0.222 | S | C | . | . | trans | -66.9 | 100.2 | 159.7 | -69.5 | 0 | 0 | 0 | 0 | 107.5 | L589 | C587-L589 PolarHBondContact O-N 2.87Š| ||
| 588 | H | 63.8 | Low | 80.3 | Confident | 44 Ų | 44 | 41.3 Ų | 41.3 | 20% | 0.204 | 23% | 0.226 | C | C | . | . | trans | -67.5 | 102.7 | 176.8 | -59.9 | -80.2 | 0 | 0 | 0 | 108.6 | V586 E590 H592 | V586-H588 PolarHBondContact O-CD2 3.07Å; V586-H588 PolarHBondContact O-N 3.06Å; H588-E590 WeakPolarHBondContact CB-O 3.19Å; H588-E590 PolarHBondContact O-N 3.3Å; H588-H592 HydrophobicContact CB-CB 3.76Å; H588-H592 AromaticContact CD2-CD2 3.85Å; H588-H592 AromaticContact CD2-CG 3.53Å; H588-H592 AromaticContact CD2-ND1 3.66Å; H588-H592 AromaticContact CE1-CD2 3.63Å; H588-H592 AromaticContact CE1-NE2 3.78Å; H588-H592 AromaticContact CG-CD2 3.97Å; H588-H592 AromaticContact CG-CG 3.76Å; H588-H592 AromaticContact ND1-CD2 3.83Å; H588-H592 AromaticContact NE2-CD2 3.65Å; H588-H592 AromaticContact NE2-CE1 3.67Å; H588-H592 AromaticContact NE2-CG 3.77Å; H588-H592 AromaticContact NE2-ND1 3.78Å; H588-H592 AromaticContact NE2-NE2 3.58Å | ||
| 589 | L | 76.7 | Confident | 80.5 | Confident | 56 Ų | 56 | 38.4 Ų | 38.4 | 29% | 0.293 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -76.5 | 18.3 | 163.7 | -150.4 | 74.2 | 0 | 0 | 0 | 111.3 | K340 H343 M534 F538 C587 | K340-L589 HydrophobicContact CG-CD2 3.9Å; K340-L589 HydrophobicContact CG-CG 4.01Å; H343-L589 HydrophobicContact CB-CD1 3.57Å; H343-L589 VanDerWaalsContact CD2-CD1 3.47Å; H343-L589 WeakPolarHBondContact CD2-CD1 3.41Å; H343-L589 VanDerWaalsContact CG-CD1 3.44Å; M534-L589 HydrophobicContact CE-CG 4.48Å; M534-L589 VanDerWaalsContact CE-O 3.3Å; M534-L589 WeakPolarHBondContact CE-O 3.46Å; F538-L589 HydrophobicContact CE1-CD1 4.45Å; F538-L589 HydrophobicContact CZ-CD1 4.14Å; C587-L589 PolarHBondContact O-N 2.87Å |
| 590 | E | 84.3 | Confident | 80.8 | Confident | 99 Ų | 99 | 38 Ų | 38 | 46% | 0.463 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -129.5 | 149.7 | 177.9 | -74.6 | -62 | 146.8 | 0 | 0 | 108.8 | H588 H592 | H588-E590 WeakPolarHBondContact CB-O 3.19Å; H588-E590 PolarHBondContact O-N 3.3Å; E590-H592 PolarHBondContact O-N 3.22Å |
| 591 | P | 88.2 | Confident | 81.1 | Confident | 20 Ų | 20 | 37.9 Ų | 37.9 | 13% | 0.13 | 21% | 0.209 | C | C | . | . | trans | -57.5 | 110.7 | 179.8 | -26.5 | 36.4 | 0 | 0 | 0 | 113 | I336 K527 K530 A531 M534 | I336-P591 HydrophobicContact CD1-CG 3.88Å; I336-P591 HydrophobicContact CG1-CG 3.98Å; K527-P591 HydrophobicContact CG-CB 4.06Å; K527-P591 HydrophobicContact CG-CG 4.03Å; K530-P591 HydrophobicContact CB-CB 3.58Å; A531-P591 HydrophobicContact CB-CB 4.19Å; A531-P591 HydrophobicContact CB-CG 3.83Å; M534-P591 HydrophobicContact SD-CG 4.34Å | ||
| 592 | H | 90.5 | Very high | 81.5 | Confident | 25 Ų | 25 | 36.5 Ų | 36.5 | 12% | 0.116 | 21% | 0.205 | C | C | . | . | trans | -121.6 | 150 | -177.9 | -169.5 | -99.6 | 0 | 0 | 0 | 112.6 | H588 E590 S594 H595 | H588-H592 HydrophobicContact CB-CB 3.76Å; H588-H592 AromaticContact CD2-CD2 3.85Å; H588-H592 AromaticContact CD2-CG 3.53Å; H588-H592 AromaticContact CD2-ND1 3.66Å; H588-H592 AromaticContact CE1-CD2 3.63Å; H588-H592 AromaticContact CE1-NE2 3.78Å; H588-H592 AromaticContact CG-CD2 3.97Å; H588-H592 AromaticContact CG-CG 3.76Å; H588-H592 AromaticContact ND1-CD2 3.83Å; H588-H592 AromaticContact NE2-CD2 3.65Å; H588-H592 AromaticContact NE2-CE1 3.67Å; H588-H592 AromaticContact NE2-CG 3.77Å; H588-H592 AromaticContact NE2-ND1 3.78Å; H588-H592 AromaticContact NE2-NE2 3.58Å; E590-H592 PolarHBondContact O-N 3.22Å; H592-S594 VanDerWaalsContact C-N 3.26Å; H592-S594 VanDerWaalsContact ND1-CB 3.3Å; H592-S594 WeakPolarHBondContact ND1-CB 3.48Å; H592-S594 PolarHBondContact ND1-N 2.78Å; H592-S594 VanDerWaalsContact ND1-N 3.14Å; H592-S594 PolarHBondContact ND1-OG 3.21Å; H592-S594 PolarHBondContact O-N 3.04Å; H592-H595 WeakPolarHBondContact O-CB 3.47Å; H592-H595 PolarHBondContact O-CD2 2.92Å; H592-H595 PolarHBondContact O-N 3.3Å | ||
| 593 | E | 89 | Confident | 82 | Confident | 28 Ų | 28 | 32 Ų | 32 | 13% | 0.131 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26.2 | -178.9 | 51.6 | -92.5 | -151.4 | 0 | 0 | 114.3 | P522 L525 K530 V579 H595 L596 | P522-E593 HydrophobicContact CB-CB 4.01Å; P522-E593 HydrophobicContact CB-CG 4.09Å; P522-E593 VanDerWaalsContact O-CB 3.23Å; P522-E593 WeakPolarHBondContact O-CB 3.35Å; L525-E593 HydrophobicContact CD1-CB 4.27Å; K530-E593 IonicContact NZ-OE2 2.91Å; K530-E593 PolarHBondContact NZ-OE2 2.83Å; V579-E593 HydrophobicContact CG1-CG 4Å; V579-E593 HydrophobicContact CG2-CG 3.78Å; E593-H595 PolarHBondContact O-N 2.66Å; E593-L596 PolarHBondContact O-N 3.19Å |
| 594 | S | 90.5 | Very high | 82.7 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59 | -28.1 | 175.5 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | H592 L596 M597 Q598 | H592-S594 VanDerWaalsContact C-N 3.26Å; H592-S594 VanDerWaalsContact ND1-CB 3.3Å; H592-S594 WeakPolarHBondContact ND1-CB 3.48Å; H592-S594 PolarHBondContact ND1-N 2.78Å; H592-S594 VanDerWaalsContact ND1-N 3.14Å; H592-S594 PolarHBondContact ND1-OG 3.21Å; H592-S594 PolarHBondContact O-N 3.04Å; S594-L596 VanDerWaalsContact C-N 3.34Å; S594-L596 PolarHBondContact O-N 3.08Å; S594-M597 PolarHBondContact O-N 3.03Å; S594-Q598 VanDerWaalsContact O-CB 3.29Å; S594-Q598 WeakPolarHBondContact O-CB 3.39Å; S594-Q598 PolarHBondContact O-N 3.37Å |
| 595 | H | 92 | Very high | 83.9 | Confident | 8 Ų | 8 | 27.2 Ų | 27.2 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.5 | -33.5 | -177.5 | -58.2 | -25.1 | 0 | 0 | 0 | 112.8 | C533 M534 C537 H592 E593 Q598 I599 | C533-H595 HydrophobicContact CB-CB 3.71Å; M534-H595 VanDerWaalsContact CB-CD2 3.41Å; M534-H595 WeakPolarHBondContact CB-CD2 3.48Å; C537-H595 PolarHBondContact SG-O 3.06Å; H592-H595 WeakPolarHBondContact O-CB 3.47Å; H592-H595 PolarHBondContact O-CD2 2.92Å; H592-H595 PolarHBondContact O-N 3.3Å; E593-H595 PolarHBondContact O-N 2.66Å; H595-Q598 PolarHBondContact O-N 3.39Å; H595-I599 VanDerWaalsContact O-CG2 3.28Å; H595-I599 WeakPolarHBondContact O-CG2 3.49Å; H595-I599 PolarHBondContact O-N 3.43Å |
| 596 | L | 93.4 | Very high | 85.6 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62 | -50.6 | 176.1 | 176.4 | 64.3 | 0 | 0 | 0 | 110.2 | L525 M563 L566 I567 W576 E593 S594 Q598 F600 | L525-L596 HydrophobicContact CD1-CD2 3.71Å; L525-L596 HydrophobicContact CD2-CD2 4.46Å; M563-L596 HydrophobicContact CE-CD1 3.57Å; M563-L596 HydrophobicContact CG-CD1 4.4Å; L566-L596 HydrophobicContact CD2-CD2 3.94Å; L566-L596 HydrophobicContact CG-CD2 4.36Å; I567-L596 HydrophobicContact CD1-CG 4.31Å; I567-L596 HydrophobicContact CG1-CD2 3.97Å; I567-L596 HydrophobicContact CG1-CG 4.11Å; W576-L596 HydrophobicContact CH2-CD2 4.3Å; E593-L596 PolarHBondContact O-N 3.19Å; S594-L596 VanDerWaalsContact C-N 3.34Å; S594-L596 PolarHBondContact O-N 3.08Å; L596-Q598 VanDerWaalsContact C-N 3.34Å; L596-Q598 PolarHBondContact O-N 2.91Å; L596-F600 WeakPolarHBondContact O-CB 3.28Å; L596-F600 PolarHBondContact O-N 3.39Å |
| 597 | M | 93.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 177.5 | -174.7 | 61.9 | 70.4 | 0 | 0 | 111.4 | I567 W576 S594 A601 F634 F635 L694 | I567-M597 HydrophobicContact CD1-CE 4.39Å; I567-M597 HydrophobicContact CD1-SD 4.35Å; I567-M597 HydrophobicContact CG2-CE 3.59Å; W576-M597 HydrophobicContact CD2-CE 3.5Å; W576-M597 HydrophobicContact CE3-CB 4.18Å; W576-M597 HydrophobicContact CE3-CE 3.46Å; W576-M597 VanDerWaalsContact CE3-CE 3.46Å; W576-M597 HydrophobicContact CG-CE 4.03Å; W576-M597 HydrophobicContact CH2-CE 4.25Å; W576-M597 HydrophobicContact CZ2-CE 4.29Å; W576-M597 HydrophobicContact CZ3-CB 3.78Å; W576-M597 HydrophobicContact CZ3-CE 3.86Å; S594-M597 PolarHBondContact O-N 3.03Å; M597-A601 WeakPolarHBondContact O-CB 3.24Å; M597-A601 PolarHBondContact O-N 3.49Å; M597-F634 HydrophobicContact CE-CE1 3.78Å; M597-F634 HydrophobicContact CE-CZ 3.98Å; M597-F635 HydrophobicContact SD-CE1 3.74Å; M597-F635 HydrophobicContact SD-CZ 3.76Å; M597-L694 HydrophobicContact CB-CD1 4.19Å; M597-L694 HydrophobicContact CB-CD2 4.47Å; M597-L694 HydrophobicContact CG-CD1 3.92Å; M597-L694 HydrophobicContact CG-CD2 4.47Å |
| 598 | Q | 92 | Very high | 88.8 | Confident | 16 Ų | 16 | 17.5 Ų | 17.5 | 8% | 0.075 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.3 | -51.7 | -178.2 | -175.5 | 177.4 | -13.7 | 0 | 0 | 112.3 | S594 H595 L596 S602 M691 L694 I697 | S594-Q598 VanDerWaalsContact O-CB 3.29Å; S594-Q598 WeakPolarHBondContact O-CB 3.39Å; S594-Q598 PolarHBondContact O-N 3.37Å; H595-Q598 PolarHBondContact O-N 3.39Å; L596-Q598 VanDerWaalsContact C-N 3.34Å; L596-Q598 PolarHBondContact O-N 2.91Å; Q598-S602 VanDerWaalsContact O-CB 3.24Å; Q598-S602 WeakPolarHBondContact O-CB 3.45Å; Q598-S602 PolarHBondContact O-N 2.64Å; Q598-S602 PolarHBondContact O-OG 3.5Å; Q598-M691 PolarHBondContact NE2-SD 2.95Å; Q598-L694 HydrophobicContact CB-CD1 3.88Å; Q598-I697 HydrophobicContact CG-CD1 3.65Å |
| 599 | I | 93.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -72.1 | -37.9 | -177.3 | -165.1 | 62.3 | 0 | 0 | 0 | 111.2 | C533 L551 L554 M563 H595 A603 | C533-I599 HydrophobicContact CB-CG2 4.12Å; L551-I599 HydrophobicContact CD2-CD1 3.9Å; L554-I599 HydrophobicContact CD1-CD1 3.67Å; L554-I599 HydrophobicContact CD1-CG1 3.73Å; M563-I599 HydrophobicContact CE-CG2 3.47Å; M563-I599 VanDerWaalsContact CE-CG2 3.47Å; H595-I599 VanDerWaalsContact O-CG2 3.28Å; H595-I599 WeakPolarHBondContact O-CG2 3.49Å; H595-I599 PolarHBondContact O-N 3.43Å; I599-A603 WeakPolarHBondContact O-CB 3.43Å; I599-A603 PolarHBondContact O-N 3.08Å |
| 600 | F | 95.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.3 | -56.8 | 172.7 | 171.2 | -107.4 | 0 | 0 | 0 | 111 | L560 M563 W564 I567 L596 S602 A603 T604 F623 M631 F635 L701 | L560-F600 WeakPolarHBondContact O-CE2 3.41Å; M563-F600 HydrophobicContact CB-CD2 3.89Å; M563-F600 HydrophobicContact CE-CB 3.7Å; W564-F600 HydrophobicContact CB-CE2 3.67Å; W564-F600 HydrophobicContact CB-CZ 3.69Å; W564-F600 HydrophobicContact CD2-CZ 4.1Å; W564-F600 AromaticContact CE3-CE1 3.67Å; W564-F600 HydrophobicContact CE3-CE1 3.67Å; W564-F600 AromaticContact CE3-CZ 3.57Å; W564-F600 HydrophobicContact CE3-CZ 3.57Å; W564-F600 HydrophobicContact CG-CZ 4.17Å; W564-F600 HydrophobicContact CZ3-CE1 4.29Å; I567-F600 HydrophobicContact CD1-CB 3.75Å; I567-F600 HydrophobicContact CD1-CD1 3.41Å; I567-F600 VanDerWaalsContact CD1-CD1 3.41Å; I567-F600 HydrophobicContact CD1-CD2 4.28Å; I567-F600 HydrophobicContact CD1-CE1 4.07Å; I567-F600 HydrophobicContact CD1-CG 3.53Å; L596-F600 WeakPolarHBondContact O-CB 3.28Å; L596-F600 PolarHBondContact O-N 3.39Å; F600-S602 VanDerWaalsContact C-N 3.29Å; F600-S602 PolarHBondContact O-N 3.31Å; F600-A603 PolarHBondContact O-N 3.49Å; F600-T604 WeakPolarHBondContact CD2-OG1 3.2Å; F600-T604 VanDerWaalsContact CE2-OG1 3.26Å; F600-T604 WeakPolarHBondContact CE2-OG1 3.41Å; F600-T604 VanDerWaalsContact O-CB 3.3Å; F600-T604 WeakPolarHBondContact O-CB 3.46Å; F600-T604 PolarHBondContact O-N 3.43Å; F600-T604 PolarHBondContact O-OG1 3.1Å; F600-F623 HydrophobicContact CE2-CE1 4.46Å; F600-F623 HydrophobicContact CE2-CZ 4.28Å; F600-M631 HydrophobicContact CE1-CE 4.07Å; F600-M631 HydrophobicContact CZ-CE 3.62Å; F600-M631 HydrophobicContact CZ-SD 4.02Å; F600-F635 HydrophobicContact CD1-CZ 4.22Å; F600-F635 AromaticContact CE1-CE2 3.91Å; F600-F635 HydrophobicContact CE1-CE2 3.91Å; F600-F635 AromaticContact CE1-CZ 3.86Å; F600-F635 HydrophobicContact CE1-CZ 3.86Å; F600-L701 HydrophobicContact CE1-CD2 4.17Å |
| 601 | A | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.5 | -35.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M597 S605 I697 L701 | M597-A601 WeakPolarHBondContact O-CB 3.24Å; M597-A601 PolarHBondContact O-N 3.49Å; A601-S605 WeakPolarHBondContact O-CB 3.29Å; A601-S605 PolarHBondContact O-N 2.76Å; A601-S605 PolarHBondContact O-OG 2.87Å; A601-I697 HydrophobicContact CB-CG2 3.64Å; A601-L701 HydrophobicContact CB-CB 4.44Å; A601-L701 HydrophobicContact CB-CD2 3.99Å |
| 602 | S | 91.6 | Very high | 88.9 | Confident | 23 Ų | 23 | 11.5 Ų | 11.5 | 16% | 0.161 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -67.4 | -48.4 | 175.5 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | Q598 F600 N606 I697 | Q598-S602 VanDerWaalsContact O-CB 3.24Å; Q598-S602 WeakPolarHBondContact O-CB 3.45Å; Q598-S602 PolarHBondContact O-N 2.64Å; Q598-S602 PolarHBondContact O-OG 3.5Å; F600-S602 VanDerWaalsContact C-N 3.29Å; F600-S602 PolarHBondContact O-N 3.31Å; S602-N606 WeakPolarHBondContact O-CB 3.42Å; S602-N606 PolarHBondContact O-N 3.38Å; S602-N606 VanDerWaalsContact O-N 3.1Å; S602-I697 VanDerWaalsContact OG-CG2 3.31Å; S602-I697 WeakPolarHBondContact OG-CG2 3.3Å |
| 603 | A | 92 | Very high | 88.3 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -69.3 | -41.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L551 L560 I599 F600 N606 L607 | L551-A603 HydrophobicContact CD2-CB 4.13Å; L560-A603 HydrophobicContact CD1-CB 4.13Å; L560-A603 HydrophobicContact CD2-CB 3.62Å; I599-A603 WeakPolarHBondContact O-CB 3.43Å; I599-A603 PolarHBondContact O-N 3.08Å; F600-A603 PolarHBondContact O-N 3.49Å; A603-N606 PolarHBondContact O-N 2.97Å; A603-L607 WeakPolarHBondContact O-CB 3.12Å; A603-L607 PolarHBondContact O-N 3.32Å |
| 604 | T | 92.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.6 | -40.9 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | F600 N606 L607 L608 F623 M631 L701 | F600-T604 WeakPolarHBondContact CD2-OG1 3.2Å; F600-T604 VanDerWaalsContact CE2-OG1 3.26Å; F600-T604 WeakPolarHBondContact CE2-OG1 3.41Å; F600-T604 VanDerWaalsContact O-CB 3.3Å; F600-T604 WeakPolarHBondContact O-CB 3.46Å; F600-T604 PolarHBondContact O-N 3.43Å; F600-T604 PolarHBondContact O-OG1 3.1Å; T604-N606 VanDerWaalsContact C-N 3.28Å; T604-N606 PolarHBondContact O-N 3.4Å; T604-L607 PolarHBondContact O-N 3.06Å; T604-L608 HydrophobicContact CG2-CD1 3.76Å; T604-L608 HydrophobicContact CG2-CG 3.95Å; T604-L608 WeakPolarHBondContact O-CB 3.47Å; T604-L608 WeakPolarHBondContact O-CG 3.47Å; T604-L608 PolarHBondContact O-N 3.04Å; T604-F623 HydrophobicContact CG2-CE2 3.6Å; T604-F623 HydrophobicContact CG2-CZ 3.74Å; T604-M631 HydrophobicContact CG2-CE 3.6Å; T604-L701 HydrophobicContact CG2-CD1 3.91Å |
| 605 | S | 90 | Very high | 87.2 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -58.3 | -42.7 | 173.1 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | A601 S609 L701 | A601-S605 WeakPolarHBondContact O-CB 3.29Å; A601-S605 PolarHBondContact O-N 2.76Å; A601-S605 PolarHBondContact O-OG 2.87Å; S605-S609 WeakPolarHBondContact O-CB 3.22Å; S605-S609 PolarHBondContact O-N 2.86Å; S605-S609 PolarHBondContact O-OG 3.34Å; S605-L701 WeakPolarHBondContact OG-CA 3.35Å; S605-L701 WeakPolarHBondContact OG-CB 3.27Å |
| 606 | N | 87 | Confident | 86.8 | Confident | 19 Ų | 19 | 11.3 Ų | 11.3 | 10% | 0.102 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.3 | -45.8 | 177.9 | -171.1 | 68.2 | 0 | 0 | 0 | 111.6 | L551 S602 A603 T604 S609 I610 | L551-N606 HydrophobicContact CB-CB 4.11Å; L551-N606 HydrophobicContact CD1-CB 4.05Å; S602-N606 WeakPolarHBondContact O-CB 3.42Å; S602-N606 PolarHBondContact O-N 3.38Å; S602-N606 VanDerWaalsContact O-N 3.1Å; A603-N606 PolarHBondContact O-N 2.97Å; T604-N606 VanDerWaalsContact C-N 3.28Å; T604-N606 PolarHBondContact O-N 3.4Å; N606-S609 PolarHBondContact O-N 3.24Å; N606-I610 WeakPolarHBondContact O-CD1 3.42Å; N606-I610 VanDerWaalsContact O-CG1 3.28Å; N606-I610 WeakPolarHBondContact O-CG1 3.32Å; N606-I610 PolarHBondContact O-N 3.41Å |
| 607 | L | 87.3 | Confident | 86.2 | Confident | 13 Ų | 13 | 12.3 Ų | 12.3 | 7% | 0.068 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.5 | -51.9 | 177.8 | 176 | 63.3 | 0 | 0 | 0 | 111.6 | L560 A603 T604 S609 I610 L611 F623 | L560-L607 HydrophobicContact CD1-CB 4.27Å; L560-L607 HydrophobicContact CD1-CD2 3.75Å; A603-L607 WeakPolarHBondContact O-CB 3.12Å; A603-L607 PolarHBondContact O-N 3.32Å; T604-L607 PolarHBondContact O-N 3.06Å; L607-S609 PolarHBondContact O-N 3.16Å; L607-I610 PolarHBondContact O-N 3.23Å; L607-L611 HydrophobicContact CD1-CD1 3.72Å; L607-L611 HydrophobicContact CD1-CD2 3.98Å; L607-L611 HydrophobicContact CD1-CG 3.64Å; L607-L611 HydrophobicContact CD2-CD1 4.17Å; L607-L611 HydrophobicContact CG-CD1 3.68Å; L607-L611 HydrophobicContact CG-CG 4.01Å; L607-L611 WeakPolarHBondContact O-CG 3.33Å; L607-L611 PolarHBondContact O-N 2.83Å; L607-F623 HydrophobicContact CD2-CE2 3.98Å |
| 608 | L | 86.6 | Confident | 85.5 | Confident | 5 Ų | 5 | 19.8 Ų | 19.8 | 3% | 0.026 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.1 | -20.4 | -178.8 | -67.9 | 179.9 | 0 | 0 | 0 | 113.2 | T604 L616 F623 L628 L701 V704 I705 R708 | T604-L608 HydrophobicContact CG2-CD1 3.76Å; T604-L608 HydrophobicContact CG2-CG 3.95Å; T604-L608 WeakPolarHBondContact O-CB 3.47Å; T604-L608 WeakPolarHBondContact O-CG 3.47Å; T604-L608 PolarHBondContact O-N 3.04Å; L608-L616 HydrophobicContact CD2-CD1 4Å; L608-L616 HydrophobicContact CD2-CD2 4.21Å; L608-F623 HydrophobicContact CD2-CD2 4.38Å; L608-L628 HydrophobicContact CD1-CD2 4.41Å; L608-L628 HydrophobicContact CD2-CD2 4.13Å; L608-L701 HydrophobicContact CD1-CD1 3.98Å; L608-V704 HydrophobicContact CB-CG1 3.69Å; L608-V704 HydrophobicContact CD1-CG1 4.36Å; L608-I705 HydrophobicContact CD1-CG1 4Å; L608-R708 PolarHBondContact O-NH1 3.07Å |
| 609 | S | 80.4 | Confident | 84.8 | Confident | 18 Ų | 18 | 24.6 Ų | 24.6 | 13% | 0.126 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -82.8 | -17.5 | 173.4 | -54.7 | 0 | 0 | 0 | 0 | 113.1 | S605 N606 L607 C917 | S605-S609 WeakPolarHBondContact O-CB 3.22Å; S605-S609 PolarHBondContact O-N 2.86Å; S605-S609 PolarHBondContact O-OG 3.34Å; N606-S609 PolarHBondContact O-N 3.24Å; L607-S609 PolarHBondContact O-N 3.16Å; S609-C917 WeakPolarHBondContact OG-CA 3.25Å |
| 610 | I | 78.8 | Confident | 83.9 | Confident | 68 Ų | 68 | 30.6 Ų | 30.6 | 35% | 0.349 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -101.2 | -34.9 | -178.4 | -64 | 165.1 | 0 | 0 | 0 | 111.3 | N606 L607 D612 | N606-I610 WeakPolarHBondContact O-CD1 3.42Å; N606-I610 VanDerWaalsContact O-CG1 3.28Å; N606-I610 WeakPolarHBondContact O-CG1 3.32Å; N606-I610 PolarHBondContact O-N 3.41Å; L607-I610 PolarHBondContact O-N 3.23Å; I610-D612 PolarHBondContact O-N 3.35Å |
| 611 | L | 80 | Confident | 82.9 | Confident | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -67.5 | 127 | 177.4 | -68.8 | 177.8 | 0 | 0 | 0 | 110.7 | L607 E615 L616 K621 R708 | L607-L611 HydrophobicContact CD1-CD1 3.72Å; L607-L611 HydrophobicContact CD1-CD2 3.98Å; L607-L611 HydrophobicContact CD1-CG 3.64Å; L607-L611 HydrophobicContact CD2-CD1 4.17Å; L607-L611 HydrophobicContact CG-CD1 3.68Å; L607-L611 HydrophobicContact CG-CG 4.01Å; L607-L611 WeakPolarHBondContact O-CG 3.33Å; L607-L611 PolarHBondContact O-N 2.83Å; L611-E615 HydrophobicContact CD2-CB 4.11Å; L611-L616 HydrophobicContact CD1-CD1 4.17Å; L611-K621 HydrophobicContact CD2-CD 4.05Å; L611-K621 HydrophobicContact CD2-CG 4.46Å; L611-R708 PolarHBondContact O-NH1 3.16Å; L611-R708 PolarHBondContact O-NH2 3.15Å; L611-R708 VanDerWaalsContact O-NH2 3.11Å |
| 612 | D | 77.5 | Confident | 82.2 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | trans | -75.5 | 171.4 | 170.4 | 64.5 | 39.9 | 0 | 0 | 0 | 111.2 | I610 A614 E615 L616 R708 K939 | I610-D612 PolarHBondContact O-N 3.35Å; D612-A614 PolarHBondContact OD1-N 3.17Å; D612-E615 PolarHBondContact N-OE2 3.15Å; D612-E615 PolarHBondContact O-N 2.88Å; D612-E615 WeakPolarHBondContact OD1-CB 3.03Å; D612-E615 VanDerWaalsContact OD1-CG 3.32Å; D612-E615 WeakPolarHBondContact OD1-CG 3.42Å; D612-E615 PolarHBondContact OD1-N 3.18Å; D612-L616 PolarHBondContact O-N 3.42Å; D612-L616 VanDerWaalsContact O-N 3.13Å; D612-R708 PolarHBondContact O-NH2 2.81Å; D612-K939 IonicContact OD2-NZ 3.86Å; D612-K939 PolarHBondContact OD2-NZ 3.16Å | ||
| 613 | D | 77.3 | Confident | 82 | Confident | 27 Ų | 27 | 35.8 Ų | 35.8 | 14% | 0.144 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.7 | -35.8 | -177.5 | -77.4 | -3.3 | 0 | 0 | 0 | 113.2 | L616 F617 R708 R711 | D613-L616 PolarHBondContact O-N 2.79Å; D613-F617 HydrophobicContact CB-CD2 3.93Å; D613-F617 HydrophobicContact CB-CE2 4.22Å; D613-F617 WeakPolarHBondContact O-CB 3.41Å; D613-F617 VanDerWaalsContact O-CD2 3.3Å; D613-F617 WeakPolarHBondContact O-CD2 3.5Å; D613-F617 PolarHBondContact O-N 3.36Å; D613-R708 VanDerWaalsContact CA-NH2 3.35Å; D613-R708 IonicContact OD1-CZ 3.13Å; D613-R708 IonicContact OD1-NE 2.68Å; D613-R708 PolarHBondContact OD1-NE 3.46Å; D613-R708 IonicContact OD1-NH2 3.68Å; D613-R708 PolarHBondContact OD1-NH2 3.11Å; D613-R711 IonicContact OD1-CZ 3.1Å; D613-R711 IonicContact OD1-NH1 2.67Å; D613-R711 PolarHBondContact OD1-NH1 3.49Å; D613-R711 IonicContact OD1-NH2 2.78Å; D613-R711 IonicContact OD2-CZ 2.82Å; D613-R711 IonicContact OD2-NH1 3.98Å; D613-R711 PolarHBondContact OD2-NH1 3.26Å |
| 614 | A | 75.8 | Confident | 81.7 | Confident | 23 Ų | 23 | 37.4 Ų | 37.4 | 19% | 0.19 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -64.7 | -44.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D612 L616 E618 L619 | D612-A614 PolarHBondContact OD1-N 3.17Å; A614-L616 VanDerWaalsContact C-N 3.35Å; A614-L616 PolarHBondContact O-N 3.41Å; A614-E618 WeakPolarHBondContact O-CA 3.49Å; A614-E618 VanDerWaalsContact O-CB 3.26Å; A614-E618 WeakPolarHBondContact O-CB 3.26Å; A614-E618 PolarHBondContact O-N 2.87Å; A614-L619 PolarHBondContact O-N 3.33Å |
| 615 | E | 81.3 | Confident | 81.4 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -61.7 | -41.3 | 176.5 | -74.8 | -178.5 | 123.9 | 0 | 0 | 112.3 | L611 D612 L619 K620 K621 K939 H940 | L611-E615 HydrophobicContact CD2-CB 4.11Å; D612-E615 PolarHBondContact N-OE2 3.15Å; D612-E615 PolarHBondContact O-N 2.88Å; D612-E615 WeakPolarHBondContact OD1-CB 3.03Å; D612-E615 VanDerWaalsContact OD1-CG 3.32Å; D612-E615 WeakPolarHBondContact OD1-CG 3.42Å; D612-E615 PolarHBondContact OD1-N 3.18Å; E615-L619 HydrophobicContact CG-CD1 4.27Å; E615-L619 CarbonylContact O-C 3.42Å; E615-K620 PolarHBondContact O-N 3.42Å; E615-K621 HydrophobicContact CB-CB 4.39Å; E615-K621 HydrophobicContact CB-CD 4.25Å; E615-K621 HydrophobicContact CG-CD 4.26Å; E615-K621 WeakPolarHBondContact O-CB 3.33Å; E615-K621 PolarHBondContact O-N 3.35Å; E615-K621 IonicContact OE1-NZ 2.96Å; E615-K621 PolarHBondContact OE1-NZ 2.96Å; E615-K939 IonicContact OE1-NZ 2.8Å; E615-K939 IonicContact OE2-NZ 3.87Å; E615-K939 PolarHBondContact OE2-NZ 3.24Å; E615-H940 IonicContact OE1-NE2 2.64Å |
| 616 | L | 82.9 | Confident | 81.2 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -79.1 | -47.4 | -176.2 | -170.9 | 67 | 0 | 0 | 0 | 112.9 | L608 L611 D612 D613 A614 K620 L628 R708 | L608-L616 HydrophobicContact CD2-CD1 4Å; L608-L616 HydrophobicContact CD2-CD2 4.21Å; L611-L616 HydrophobicContact CD1-CD1 4.17Å; D612-L616 PolarHBondContact O-N 3.42Å; D612-L616 VanDerWaalsContact O-N 3.13Å; D613-L616 PolarHBondContact O-N 2.79Å; A614-L616 VanDerWaalsContact C-N 3.35Å; A614-L616 PolarHBondContact O-N 3.41Å; L616-K620 WeakPolarHBondContact O-CA 3.41Å; L616-L628 HydrophobicContact CD1-CD1 3.99Å; L616-L628 HydrophobicContact CD2-CD1 3.75Å; L616-L628 HydrophobicContact CG-CD1 3.93Å; L616-R708 VanDerWaalsContact CD2-NE 3.28Å |
| 617 | F | 81.8 | Confident | 81.3 | Confident | 23 Ų | 23 | 43.6 Ų | 43.6 | 10% | 0.101 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -94 | -39.1 | -171 | -60.5 | -63.8 | 0 | 0 | 0 | 112.9 | D613 I625 R708 H712 F714 | D613-F617 HydrophobicContact CB-CD2 3.93Å; D613-F617 HydrophobicContact CB-CE2 4.22Å; D613-F617 WeakPolarHBondContact O-CB 3.41Å; D613-F617 VanDerWaalsContact O-CD2 3.3Å; D613-F617 WeakPolarHBondContact O-CD2 3.5Å; D613-F617 PolarHBondContact O-N 3.36Å; F617-I625 HydrophobicContact CD1-CG1 4.44Å; F617-R708 HydrophobicContact CZ-CG 4.22Å; F617-H712 HydrophobicContact CE2-CB 3.96Å; F617-H712 AromaticContact CE2-CD2 3.8Å; F617-H712 AromaticContact CE2-CG 3.78Å; F617-H712 HydrophobicContact CZ-CB 4.28Å; F617-H712 AromaticContact CZ-CD2 3.91Å; F617-F714 HydrophobicContact CE1-CB 4.07Å; F617-F714 AromaticContact CE1-CD1 3.51Å; F617-F714 HydrophobicContact CE1-CD1 3.51Å; F617-F714 HydrophobicContact CE1-CE1 4.16Å; F617-F714 AromaticContact CE1-CG 3.91Å; F617-F714 HydrophobicContact CE1-CG 3.91Å; F617-F714 AromaticContact CZ-CD1 3.62Å; F617-F714 HydrophobicContact CZ-CD1 3.62Å; F617-F714 HydrophobicContact CZ-CE1 4.06Å; F617-F714 HydrophobicContact CZ-CG 4.46Å |
| 618 | E | 78.3 | Confident | 81.5 | Confident | 158 Ų | 158 | 43.1 Ų | 43.1 | 74% | 0.738 | 22% | 0.22 | S | C | * | . | I | π-helix | trans | -88.7 | -52.6 | -177.3 | -54.1 | 178.8 | -178 | 0 | 0 | 111.4 | A614 K620 | A614-E618 WeakPolarHBondContact O-CA 3.49Å; A614-E618 VanDerWaalsContact O-CB 3.26Å; A614-E618 WeakPolarHBondContact O-CB 3.26Å; A614-E618 PolarHBondContact O-N 2.87Å; E618-K620 VanDerWaalsContact C-N 3.29Å; E618-K620 PolarHBondContact O-N 3.41Å |
| 619 | L | 76.1 | Confident | 81.7 | Confident | 117 Ų | 117 | 43.8 Ų | 43.8 | 61% | 0.613 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -80.7 | -9.3 | 179.1 | -59.2 | 178.6 | 0 | 0 | 0 | 113.2 | A614 E615 K621 | A614-L619 PolarHBondContact O-N 3.33Å; E615-L619 HydrophobicContact CG-CD1 4.27Å; E615-L619 CarbonylContact O-C 3.42Å; L619-K621 PolarHBondContact O-N 2.98Å; L619-K621 VanDerWaalsContact O-N 3.11Å |
| 620 | K | 74.8 | Confident | 82.2 | Confident | 129 Ų | 129 | 43.5 Ų | 43.5 | 56% | 0.561 | 22% | 0.222 | S | C | * | . | trans | 48.1 | 39.7 | -178.2 | -61.4 | -177.1 | -179.1 | -179.7 | 0 | 112.5 | E615 L616 E618 S622 | E615-K620 PolarHBondContact O-N 3.42Å; L616-K620 WeakPolarHBondContact O-CA 3.41Å; E618-K620 VanDerWaalsContact C-N 3.29Å; E618-K620 PolarHBondContact O-N 3.41Å; K620-S622 PolarHBondContact O-N 3.41Å | ||
| 621 | K | 75.4 | Confident | 82.9 | Confident | 97 Ų | 97 | 40.2 Ų | 40.2 | 42% | 0.422 | 21% | 0.206 | S | C | . | . | trans | -71.2 | 122.7 | -174.1 | -168.6 | 172 | 176.9 | 177.8 | 0 | 109.2 | L611 E615 L619 F623 | L611-K621 HydrophobicContact CD2-CD 4.05Å; L611-K621 HydrophobicContact CD2-CG 4.46Å; E615-K621 HydrophobicContact CB-CB 4.39Å; E615-K621 HydrophobicContact CB-CD 4.25Å; E615-K621 HydrophobicContact CG-CD 4.26Å; E615-K621 WeakPolarHBondContact O-CB 3.33Å; E615-K621 PolarHBondContact O-N 3.35Å; E615-K621 IonicContact OE1-NZ 2.96Å; E615-K621 PolarHBondContact OE1-NZ 2.96Å; L619-K621 PolarHBondContact O-N 2.98Å; L619-K621 VanDerWaalsContact O-N 3.11Å; K621-F623 PolarHBondContact O-N 3.15Å; K621-F623 VanDerWaalsContact O-N 3.11Å | ||
| 622 | S | 79.2 | Confident | 83.5 | Confident | 34 Ų | 34 | 40 Ų | 40 | 24% | 0.238 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 75.8 | -66.2 | -178.1 | -32.3 | 0 | 0 | 0 | 0 | 114.2 | P561 K620 | P561-S622 WeakPolarHBondContact CG-O 3.27Å; K620-S622 PolarHBondContact O-N 3.41Å |
| 623 | F | 86.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | trans | -113 | 144.1 | -174 | -63.4 | -76.5 | 0 | 0 | 0 | 112.8 | L560 P561 W564 F600 T604 L607 L608 K621 E627 L628 M631 | L560-F623 HydrophobicContact CB-CE1 4.39Å; L560-F623 HydrophobicContact CB-CE2 4.36Å; L560-F623 HydrophobicContact CB-CZ 3.65Å; P561-F623 HydrophobicContact CB-CD1 4.43Å; P561-F623 HydrophobicContact CB-CE1 4.37Å; P561-F623 HydrophobicContact CG-CD1 4.08Å; P561-F623 HydrophobicContact CG-CE1 4.03Å; W564-F623 HydrophobicContact CB-CE1 4.25Å; F600-F623 HydrophobicContact CE2-CE1 4.46Å; F600-F623 HydrophobicContact CE2-CZ 4.28Å; T604-F623 HydrophobicContact CG2-CE2 3.6Å; T604-F623 HydrophobicContact CG2-CZ 3.74Å; L607-F623 HydrophobicContact CD2-CE2 3.98Å; L608-F623 HydrophobicContact CD2-CD2 4.38Å; K621-F623 PolarHBondContact O-N 3.15Å; K621-F623 VanDerWaalsContact O-N 3.11Å; F623-E627 HydrophobicContact CD1-CB 4.46Å; F623-L628 HydrophobicContact CB-CD2 4.03Å; F623-L628 HydrophobicContact CB-CG 4.08Å; F623-L628 HydrophobicContact CG-CD2 4.4Å; F623-M631 HydrophobicContact CD1-SD 4.22Å; F623-M631 HydrophobicContact CE1-SD 4.04Å; F623-M631 HydrophobicContact CZ-SD 4.42Å | ||
| 624 | T | 86.2 | Confident | 85 | Confident | 35 Ų | 35 | 39.6 Ų | 39.6 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | trans | -78.4 | 158.2 | 166.6 | 60.7 | 0 | 0 | 0 | 0 | 111.3 | L409 D626 E627 L628 | L409-T624 HydrophobicContact CD2-CG2 4.15Å; T624-D626 VanDerWaalsContact C-N 3.26Å; T624-D626 PolarHBondContact O-N 3.28Å; T624-E627 PolarHBondContact N-OE2 2.88Å; T624-E627 PolarHBondContact O-N 3.29Å; T624-E627 WeakPolarHBondContact OG1-CB 3.2Å; T624-E627 VanDerWaalsContact OG1-CD 3.25Å; T624-E627 WeakPolarHBondContact OG1-CG 3.46Å; T624-E627 PolarHBondContact OG1-N 3.04Å; T624-E627 PolarHBondContact OG1-OE2 2.96Å; T624-L628 WeakPolarHBondContact O-CG 3.43Å; T624-L628 PolarHBondContact O-N 3.07Å | ||
| 625 | I | 87.1 | Confident | 85.9 | Confident | 57 Ų | 57 | 38.5 Ų | 38.5 | 29% | 0.292 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.6 | -40.2 | 175.8 | -62.5 | 172.9 | 0 | 0 | 0 | 110.6 | F617 E627 L628 C629 F714 | F617-I625 HydrophobicContact CD1-CG1 4.44Å; I625-E627 VanDerWaalsContact C-N 3.32Å; I625-E627 PolarHBondContact O-N 3.47Å; I625-L628 WeakPolarHBondContact O-CB 3.42Å; I625-L628 PolarHBondContact O-N 3.35Å; I625-L628 VanDerWaalsContact O-N 3.16Å; I625-C629 PolarHBondContact O-N 3.07Å; I625-C629 PolarHBondContact O-SG 3.25Å; I625-C629 VanDerWaalsContact O-SG 3.4Å; I625-F714 HydrophobicContact CG2-CB 4.13Å; I625-F714 HydrophobicContact CG2-CD2 4.15Å |
| 626 | D | 86 | Confident | 86.6 | Confident | 86 Ų | 86 | 38 Ų | 38 | 46% | 0.46 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.1 | -38 | 177.5 | -61.3 | -47.9 | 0 | 0 | 0 | 112.2 | T624 S630 | T624-D626 VanDerWaalsContact C-N 3.26Å; T624-D626 PolarHBondContact O-N 3.28Å; D626-S630 WeakPolarHBondContact O-CB 3.44Å; D626-S630 PolarHBondContact O-N 3.48Å |
| 627 | E | 89 | Confident | 87.1 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 2% | 0.023 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67 | -40.1 | 173.4 | -74.5 | 167.2 | 146.4 | 0 | 0 | 111.9 | R565 F623 T624 I625 S630 M631 | R565-E627 IonicContact CZ-OE1 2.69Å; R565-E627 IonicContact NE-OE1 3.52Å; R565-E627 PolarHBondContact NE-OE1 3.3Å; R565-E627 IonicContact NH2-OE1 3.74Å; R565-E627 PolarHBondContact NH2-OE1 2.89Å; R565-E627 IonicContact NH2-OE2 3.64Å; F623-E627 HydrophobicContact CD1-CB 4.46Å; T624-E627 PolarHBondContact N-OE2 2.88Å; T624-E627 PolarHBondContact O-N 3.29Å; T624-E627 WeakPolarHBondContact OG1-CB 3.2Å; T624-E627 VanDerWaalsContact OG1-CD 3.25Å; T624-E627 WeakPolarHBondContact OG1-CG 3.46Å; T624-E627 PolarHBondContact OG1-N 3.04Å; T624-E627 PolarHBondContact OG1-OE2 2.96Å; I625-E627 VanDerWaalsContact C-N 3.32Å; I625-E627 PolarHBondContact O-N 3.47Å; E627-S630 WeakPolarHBondContact O-CB 3.28Å; E627-S630 PolarHBondContact O-N 3.44Å; E627-M631 WeakPolarHBondContact O-CB 3.48Å; E627-M631 WeakPolarHBondContact O-CG 3.5Å; E627-M631 PolarHBondContact O-N 2.95Å |
| 628 | L | 90.3 | Very high | 87.7 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 175.2 | -68 | 171.5 | 0 | 0 | 0 | 111.9 | L608 L616 F623 T624 I625 M631 G632 F714 | L608-L628 HydrophobicContact CD1-CD2 4.41Å; L608-L628 HydrophobicContact CD2-CD2 4.13Å; L616-L628 HydrophobicContact CD1-CD1 3.99Å; L616-L628 HydrophobicContact CD2-CD1 3.75Å; L616-L628 HydrophobicContact CG-CD1 3.93Å; F623-L628 HydrophobicContact CB-CD2 4.03Å; F623-L628 HydrophobicContact CB-CG 4.08Å; F623-L628 HydrophobicContact CG-CD2 4.4Å; T624-L628 WeakPolarHBondContact O-CG 3.43Å; T624-L628 PolarHBondContact O-N 3.07Å; I625-L628 WeakPolarHBondContact O-CB 3.42Å; I625-L628 PolarHBondContact O-N 3.35Å; I625-L628 VanDerWaalsContact O-N 3.16Å; L628-M631 WeakPolarHBondContact O-CB 3.49Å; L628-M631 PolarHBondContact O-N 2.87Å; L628-G632 PolarHBondContact O-N 3.06Å; L628-F714 HydrophobicContact CB-CE2 3.92Å; L628-F714 HydrophobicContact CB-CZ 4.4Å |
| 629 | C | 91.3 | Very high | 88.4 | Confident | 20 Ų | 20 | 30.3 Ų | 30.3 | 14% | 0.135 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -49.8 | 172 | -71.8 | 0 | 0 | 0 | 0 | 110.3 | I625 M631 G632 S633 F719 | I625-C629 PolarHBondContact O-N 3.07Å; I625-C629 PolarHBondContact O-SG 3.25Å; I625-C629 VanDerWaalsContact O-SG 3.4Å; C629-M631 VanDerWaalsContact C-N 3.28Å; C629-M631 PolarHBondContact O-N 3.46Å; C629-G632 PolarHBondContact O-N 3.09Å; C629-G632 VanDerWaalsContact O-N 3.14Å; C629-S633 PolarHBondContact O-N 3.41Å; C629-F719 HydrophobicContact CB-CE2 4.42Å; C629-F719 HydrophobicContact CB-CZ 4.42Å; C629-F719 WeakPolarHBondContact O-CZ 2.88Å |
| 630 | S | 90.5 | Very high | 89.2 | Confident | 11 Ų | 11 | 25.8 Ų | 25.8 | 8% | 0.077 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.1 | -44.5 | 177.1 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | Y508 P510 W564 D626 E627 F634 | Y508-S630 PolarHBondContact O-OG 2.92Å; P510-S630 VanDerWaalsContact CD-OG 3.26Å; P510-S630 WeakPolarHBondContact CD-OG 3.33Å; W564-S630 VanDerWaalsContact CZ2-C 3.48Å; W564-S630 WeakPolarHBondContact CZ2-OG 3.22Å; D626-S630 WeakPolarHBondContact O-CB 3.44Å; D626-S630 PolarHBondContact O-N 3.48Å; E627-S630 WeakPolarHBondContact O-CB 3.28Å; E627-S630 PolarHBondContact O-N 3.44Å; S630-F634 WeakPolarHBondContact O-CB 3.48Å; S630-F634 PolarHBondContact O-N 3.3Å |
| 631 | M | 93.4 | Very high | 90 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.5 | -50.8 | 174.2 | -74 | 176.4 | 62.1 | 0 | 0 | 112.3 | W564 F600 T604 F623 E627 L628 C629 S633 F634 F635 L701 I705 | W564-M631 HydrophobicContact CD2-CG 3.35Å; W564-M631 HydrophobicContact CD2-SD 4.1Å; W564-M631 HydrophobicContact CE3-CG 3.6Å; W564-M631 HydrophobicContact CE3-SD 4.45Å; W564-M631 HydrophobicContact CG-CG 3.99Å; W564-M631 HydrophobicContact CG-SD 4.19Å; W564-M631 HydrophobicContact CH2-CB 4.23Å; W564-M631 HydrophobicContact CH2-CG 3.77Å; W564-M631 HydrophobicContact CZ2-CB 4.12Å; W564-M631 HydrophobicContact CZ2-CG 3.5Å; W564-M631 VanDerWaalsContact CZ2-N 3.34Å; W564-M631 HydrophobicContact CZ3-CG 3.8Å; F600-M631 HydrophobicContact CE1-CE 4.07Å; F600-M631 HydrophobicContact CZ-CE 3.62Å; F600-M631 HydrophobicContact CZ-SD 4.02Å; T604-M631 HydrophobicContact CG2-CE 3.6Å; F623-M631 HydrophobicContact CD1-SD 4.22Å; F623-M631 HydrophobicContact CE1-SD 4.04Å; F623-M631 HydrophobicContact CZ-SD 4.42Å; E627-M631 WeakPolarHBondContact O-CB 3.48Å; E627-M631 WeakPolarHBondContact O-CG 3.5Å; E627-M631 PolarHBondContact O-N 2.95Å; L628-M631 WeakPolarHBondContact O-CB 3.49Å; L628-M631 PolarHBondContact O-N 2.87Å; C629-M631 VanDerWaalsContact C-N 3.28Å; C629-M631 PolarHBondContact O-N 3.46Å; M631-S633 VanDerWaalsContact C-N 3.3Å; M631-S633 PolarHBondContact O-N 3.07Å; M631-F634 PolarHBondContact O-N 2.92Å; M631-F635 HydrophobicContact CB-CD2 4.38Å; M631-F635 HydrophobicContact CE-CE2 4.37Å; M631-F635 VanDerWaalsContact O-CD2 3.25Å; M631-F635 WeakPolarHBondContact O-CD2 3.4Å; M631-F635 PolarHBondContact O-N 3.34Å; M631-L701 HydrophobicContact CE-CD1 4.2Å; M631-L701 HydrophobicContact CE-CD2 3.86Å; M631-L701 HydrophobicContact CE-CG 4.41Å; M631-I705 HydrophobicContact CB-CD1 3.92Å; M631-I705 HydrophobicContact CE-CD1 4Å |
| 632 | G | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -55.2 | -46.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | L628 C629 N636 | L628-G632 PolarHBondContact O-N 3.06Å; C629-G632 PolarHBondContact O-N 3.09Å; C629-G632 VanDerWaalsContact O-N 3.14Å; G632-N636 WeakPolarHBondContact O-CB 3.32Å; G632-N636 PolarHBondContact O-N 3.35Å |
| 633 | S | 92.3 | Very high | 91.4 | Very high | 16 Ų | 16 | 14.4 Ų | 14.4 | 11% | 0.112 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.5 | -49.7 | 177.8 | -172 | 0 | 0 | 0 | 0 | 111.6 | C629 M631 N636 H637 | C629-S633 PolarHBondContact O-N 3.41Å; M631-S633 VanDerWaalsContact C-N 3.3Å; M631-S633 PolarHBondContact O-N 3.07Å; S633-N636 PolarHBondContact O-N 3.31Å; S633-H637 PolarHBondContact O-N 2.98Å; S633-H637 VanDerWaalsContact O-N 3.13Å; S633-H637 PolarHBondContact O-ND1 3.26Å |
| 634 | F | 94.2 | Very high | 91.5 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.018 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.9 | -50.2 | -179.1 | 174.9 | -98.1 | 0 | 0 | 0 | 112.5 | P510 W564 I567 V573 W576 M597 S630 M631 N636 H637 L638 | P510-F634 HydrophobicContact CB-CB 3.93Å; P510-F634 HydrophobicContact CB-CD2 3.94Å; P510-F634 HydrophobicContact CB-CG 4.34Å; P510-F634 HydrophobicContact CG-CB 4.03Å; W564-F634 HydrophobicContact CH2-CB 3.65Å; W564-F634 AromaticContact CH2-CD1 3.83Å; W564-F634 HydrophobicContact CH2-CD1 3.83Å; W564-F634 AromaticContact CH2-CG 3.79Å; W564-F634 HydrophobicContact CH2-CG 3.79Å; W564-F634 HydrophobicContact CZ3-CB 4.49Å; W564-F634 AromaticContact CZ3-CD1 3.85Å; W564-F634 HydrophobicContact CZ3-CD1 3.85Å; W564-F634 HydrophobicContact CZ3-CE1 4.37Å; W564-F634 HydrophobicContact CZ3-CG 4.27Å; I567-F634 HydrophobicContact CG2-CE1 4.11Å; I567-F634 HydrophobicContact CG2-CZ 4.08Å; V573-F634 HydrophobicContact CG2-CD2 3.72Å; V573-F634 HydrophobicContact CG2-CE2 3.93Å; W576-F634 HydrophobicContact CB-CZ 4.13Å; W576-F634 AromaticContact CD1-CE2 3.87Å; W576-F634 AromaticContact CD1-CZ 3.57Å; W576-F634 HydrophobicContact CG-CE2 4.48Å; W576-F634 AromaticContact CG-CZ 3.83Å; W576-F634 HydrophobicContact CG-CZ 3.83Å; M597-F634 HydrophobicContact CE-CE1 3.78Å; M597-F634 HydrophobicContact CE-CZ 3.98Å; S630-F634 WeakPolarHBondContact O-CB 3.48Å; S630-F634 PolarHBondContact O-N 3.3Å; M631-F634 PolarHBondContact O-N 2.92Å; F634-N636 PolarHBondContact O-N 2.87Å; F634-H637 PolarHBondContact O-N 3.11Å; F634-L638 HydrophobicContact CD1-CD2 4.49Å; F634-L638 HydrophobicContact CE1-CD2 3.76Å; F634-L638 HydrophobicContact CZ-CD2 4.18Å; F634-L638 WeakPolarHBondContact O-CB 3.31Å; F634-L638 PolarHBondContact O-N 3.09Å |
| 635 | F | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.8 | -34.4 | -178.4 | -78.1 | -73.7 | 0 | 0 | 0 | 112.2 | W564 M597 F600 M631 L638 I639 C698 L701 L702 | W564-F635 AromaticContact CZ3-CE2 4Å; W564-F635 HydrophobicContact CZ3-CE2 4Å; M597-F635 HydrophobicContact SD-CE1 3.74Å; M597-F635 HydrophobicContact SD-CZ 3.76Å; F600-F635 HydrophobicContact CD1-CZ 4.22Å; F600-F635 AromaticContact CE1-CE2 3.91Å; F600-F635 HydrophobicContact CE1-CE2 3.91Å; F600-F635 AromaticContact CE1-CZ 3.86Å; F600-F635 HydrophobicContact CE1-CZ 3.86Å; M631-F635 HydrophobicContact CB-CD2 4.38Å; M631-F635 HydrophobicContact CE-CE2 4.37Å; M631-F635 VanDerWaalsContact O-CD2 3.25Å; M631-F635 WeakPolarHBondContact O-CD2 3.4Å; M631-F635 PolarHBondContact O-N 3.34Å; F635-L638 HydrophobicContact CD1-CD2 3.98Å; F635-L638 HydrophobicContact CE1-CD2 4.12Å; F635-L638 PolarHBondContact O-N 2.96Å; F635-I639 VanDerWaalsContact O-CG1 3.3Å; F635-I639 WeakPolarHBondContact O-CG1 3.49Å; F635-I639 PolarHBondContact O-N 3.25Å; F635-C698 HydrophobicContact CD1-CB 4.02Å; F635-C698 HydrophobicContact CE1-CB 4.06Å; F635-L701 HydrophobicContact CD2-CD2 3.96Å; F635-L701 HydrophobicContact CD2-CG 4.37Å; F635-L701 HydrophobicContact CE1-CD2 4.17Å; F635-L701 HydrophobicContact CE2-CD2 3.4Å; F635-L701 HydrophobicContact CE2-CG 4.28Å; F635-L701 HydrophobicContact CZ-CD2 3.53Å; F635-L702 HydrophobicContact CB-CB 4.13Å; F635-L702 HydrophobicContact CB-CD1 4.22Å |
| 636 | N | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60 | -48.9 | 174.9 | -168.6 | 26.2 | 0 | 0 | 0 | 111.2 | G632 S633 F634 Y640 L702 W720 H750 I751 | G632-N636 WeakPolarHBondContact O-CB 3.32Å; G632-N636 PolarHBondContact O-N 3.35Å; S633-N636 PolarHBondContact O-N 3.31Å; F634-N636 PolarHBondContact O-N 2.87Å; N636-Y640 WeakPolarHBondContact O-CB 3.45Å; N636-Y640 PolarHBondContact O-N 3.13Å; N636-Y640 VanDerWaalsContact O-N 3.15Å; N636-L702 HydrophobicContact CB-CD1 4Å; N636-W720 HydrophobicContact CB-CE3 4.35Å; N636-W720 HydrophobicContact CB-CZ3 4.46Å; N636-W720 PolarHBondContact ND2-O 2.98Å; N636-H750 PolarHBondContact OD1-NE2 2.9Å; N636-I751 WeakPolarHBondContact OD1-CG2 3.44Å |
| 637 | H | 93.5 | Very high | 91.6 | Very high | 21 Ų | 21 | 17.8 Ų | 17.8 | 10% | 0.097 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.6 | -37.9 | 175.9 | -68.5 | 82.1 | 0 | 0 | 0 | 112.5 | L512 V573 S633 F634 I639 Y640 E641 | L512-H637 HydrophobicContact CD2-CB 4.1Å; V573-H637 HydrophobicContact CG1-CB 4.02Å; V573-H637 HydrophobicContact CG2-CB 4.3Å; S633-H637 PolarHBondContact O-N 2.98Å; S633-H637 VanDerWaalsContact O-N 3.13Å; S633-H637 PolarHBondContact O-ND1 3.26Å; F634-H637 PolarHBondContact O-N 3.11Å; H637-I639 PolarHBondContact O-N 2.87Å; H637-Y640 PolarHBondContact O-N 3.22Å; H637-E641 WeakPolarHBondContact O-CB 3.4Å; H637-E641 WeakPolarHBondContact O-CG 3.35Å; H637-E641 PolarHBondContact O-N 3.36Å |
| 638 | L | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.4 | -45.6 | 179.2 | 179.4 | 63 | 0 | 0 | 0 | 112 | V573 W576 A577 I580 F634 F635 S642 | V573-L638 HydrophobicContact CG1-CB 4.15Å; V573-L638 HydrophobicContact CG1-CD1 4.37Å; W576-L638 HydrophobicContact CB-CD1 3.67Å; A577-L638 HydrophobicContact CB-CD1 4.11Å; I580-L638 HydrophobicContact CD1-CD1 3.86Å; I580-L638 HydrophobicContact CD1-CD2 3.82Å; I580-L638 HydrophobicContact CD1-CG 3.75Å; F634-L638 HydrophobicContact CD1-CD2 4.49Å; F634-L638 HydrophobicContact CE1-CD2 3.76Å; F634-L638 HydrophobicContact CZ-CD2 4.18Å; F634-L638 WeakPolarHBondContact O-CB 3.31Å; F634-L638 PolarHBondContact O-N 3.09Å; F635-L638 HydrophobicContact CD1-CD2 3.98Å; F635-L638 HydrophobicContact CE1-CD2 4.12Å; F635-L638 PolarHBondContact O-N 2.96Å; L638-S642 WeakPolarHBondContact O-CB 3.29Å; L638-S642 PolarHBondContact O-N 2.98Å; L638-S642 PolarHBondContact O-OG 3.26Å |
| 639 | I | 93.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66 | -45.7 | 177.2 | -64.9 | -58.5 | 0 | 0 | 0 | 110.2 | F635 H637 S642 V643 F695 C698 L699 L702 I748 | F635-I639 VanDerWaalsContact O-CG1 3.3Å; F635-I639 WeakPolarHBondContact O-CG1 3.49Å; F635-I639 PolarHBondContact O-N 3.25Å; H637-I639 PolarHBondContact O-N 2.87Å; I639-S642 PolarHBondContact O-N 3.44Å; I639-V643 VanDerWaalsContact O-CG2 3.29Å; I639-V643 WeakPolarHBondContact O-CG2 3.2Å; I639-V643 PolarHBondContact O-N 3.3Å; I639-F695 HydrophobicContact CD1-CD2 4Å; I639-F695 HydrophobicContact CD1-CE2 3.74Å; I639-F695 HydrophobicContact CD1-CZ 4.2Å; I639-F695 HydrophobicContact CG2-CE2 3.99Å; I639-F695 HydrophobicContact CG2-CZ 3.85Å; I639-C698 HydrophobicContact CD1-CB 3.88Å; I639-L699 HydrophobicContact CD1-CB 4.07Å; I639-L699 HydrophobicContact CG2-CD1 4.17Å; I639-L702 HydrophobicContact CB-CD2 4.2Å; I639-L702 HydrophobicContact CG1-CD2 3.92Å; I639-I748 HydrophobicContact CG2-CD1 3.91Å; I639-I748 HydrophobicContact CG2-CG2 4.11Å |
| 640 | Y | 93.7 | Very high | 90.4 | Very high | 21 Ų | 21 | 24 Ų | 24 | 8% | 0.082 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.4 | -55.2 | 176.9 | 176.6 | -99.1 | 0 | 0 | 0 | 112.2 | N636 H637 S642 V643 I644 I722 L725 L744 I751 | N636-Y640 WeakPolarHBondContact O-CB 3.45Å; N636-Y640 PolarHBondContact O-N 3.13Å; N636-Y640 VanDerWaalsContact O-N 3.15Å; H637-Y640 PolarHBondContact O-N 3.22Å; Y640-S642 VanDerWaalsContact C-N 3.34Å; Y640-S642 PolarHBondContact O-N 3.14Å; Y640-V643 PolarHBondContact O-N 3.17Å; Y640-I644 HydrophobicContact CD2-CG1 4.49Å; Y640-I644 HydrophobicContact CE1-CG1 4.12Å; Y640-I644 HydrophobicContact CE2-CD1 4.32Å; Y640-I644 HydrophobicContact CE2-CG1 4.09Å; Y640-I644 WeakPolarHBondContact O-CG1 3.42Å; Y640-I644 PolarHBondContact O-N 3.19Å; Y640-I644 VanDerWaalsContact O-N 3.12Å; Y640-I722 HydrophobicContact CD1-CG2 3.89Å; Y640-I722 HydrophobicContact CD2-CG2 4.32Å; Y640-I722 HydrophobicContact CE1-CG2 3.86Å; Y640-I722 HydrophobicContact CE2-CG2 4.3Å; Y640-I722 HydrophobicContact CG-CD1 4.49Å; Y640-I722 HydrophobicContact CG-CG1 4.37Å; Y640-I722 HydrophobicContact CG-CG2 4.12Å; Y640-L725 HydrophobicContact CE2-CD1 4.09Å; Y640-L744 HydrophobicContact CD2-CD1 4.25Å; Y640-L744 HydrophobicContact CD2-CD2 4.21Å; Y640-L744 HydrophobicContact CE2-CD1 4.13Å; Y640-I751 HydrophobicContact CD2-CD1 4.18Å |
| 641 | E | 91.2 | Very high | 89.6 | Confident | 21 Ų | 21 | 29.1 Ų | 29.1 | 10% | 0.098 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.4 | -41.2 | 179.8 | -70.6 | -64.9 | 147.3 | 0 | 0 | 111.6 | T514 V573 A577 H637 V643 I644 M645 N724 | T514-E641 HydrophobicContact CG2-CG 4.47Å; T514-E641 WeakPolarHBondContact CG2-OE1 3.46Å; V573-E641 HydrophobicContact CG1-CB 4.42Å; V573-E641 HydrophobicContact CG1-CG 4.17Å; A577-E641 HydrophobicContact CB-CB 4.4Å; H637-E641 WeakPolarHBondContact O-CB 3.4Å; H637-E641 WeakPolarHBondContact O-CG 3.35Å; H637-E641 PolarHBondContact O-N 3.36Å; E641-V643 VanDerWaalsContact C-N 3.28Å; E641-V643 PolarHBondContact O-N 3.41Å; E641-I644 PolarHBondContact O-N 3.33Å; E641-M645 WeakPolarHBondContact O-CB 3.42Å; E641-M645 WeakPolarHBondContact O-CG 3.41Å; E641-M645 PolarHBondContact O-N 3.49Å; E641-N724 PolarHBondContact OE1-ND2 2.93Å |
| 642 | S | 91.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.5 | -35.4 | 177.7 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | L638 I639 Y640 V646 | L638-S642 WeakPolarHBondContact O-CB 3.29Å; L638-S642 PolarHBondContact O-N 2.98Å; L638-S642 PolarHBondContact O-OG 3.26Å; I639-S642 PolarHBondContact O-N 3.44Å; Y640-S642 VanDerWaalsContact C-N 3.34Å; Y640-S642 PolarHBondContact O-N 3.14Å; S642-V646 WeakPolarHBondContact O-CG2 3.33Å |
| 643 | V | 91.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.7 | -47 | 177 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | I639 Y640 E641 M645 V646 P649 L652 F695 H740 F743 L744 | I639-V643 VanDerWaalsContact O-CG2 3.29Å; I639-V643 WeakPolarHBondContact O-CG2 3.2Å; I639-V643 PolarHBondContact O-N 3.3Å; Y640-V643 PolarHBondContact O-N 3.17Å; E641-V643 VanDerWaalsContact C-N 3.28Å; E641-V643 PolarHBondContact O-N 3.41Å; V643-M645 VanDerWaalsContact C-N 3.29Å; V643-M645 PolarHBondContact O-N 3.32Å; V643-V646 PolarHBondContact O-N 2.99Å; V643-P649 HydrophobicContact CG1-CB 4Å; V643-L652 HydrophobicContact CG2-CD1 3.9Å; V643-F695 HydrophobicContact CG2-CE2 3.99Å; V643-F695 HydrophobicContact CG2-CZ 3.77Å; V643-H740 PolarHBondContact O-CE1 3.36Å; V643-H740 VanDerWaalsContact O-CE1 3.24Å; V643-H740 PolarHBondContact O-ND1 3.05Å; V643-F743 HydrophobicContact CG1-CD1 4Å; V643-F743 HydrophobicContact CG1-CE1 4.49Å; V643-F743 HydrophobicContact CG2-CD1 3.81Å; V643-F743 HydrophobicContact CG2-CE1 3.53Å; V643-L744 HydrophobicContact CB-CD2 3.99Å; V643-L744 HydrophobicContact CG1-CD1 4.4Å; V643-L744 HydrophobicContact CG1-CD2 3.85Å; V643-L744 HydrophobicContact CG1-CG 3.93Å; V643-L744 HydrophobicContact CG2-CD2 4.14Å |
| 644 | I | 90 | Very high | 85.5 | Confident | 78 Ų | 78 | 38.9 Ų | 38.9 | 40% | 0.4 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.6 | -31.2 | -178.1 | -62.8 | -60.9 | 0 | 0 | 0 | 112.4 | Y640 E641 V646 L744 | Y640-I644 HydrophobicContact CD2-CG1 4.49Å; Y640-I644 HydrophobicContact CE1-CG1 4.12Å; Y640-I644 HydrophobicContact CE2-CD1 4.32Å; Y640-I644 HydrophobicContact CE2-CG1 4.09Å; Y640-I644 WeakPolarHBondContact O-CG1 3.42Å; Y640-I644 PolarHBondContact O-N 3.19Å; Y640-I644 VanDerWaalsContact O-N 3.12Å; E641-I644 PolarHBondContact O-N 3.33Å; I644-V646 VanDerWaalsContact C-N 3.32Å; I644-V646 PolarHBondContact O-N 3.01Å; I644-L744 HydrophobicContact CD1-CD1 4.22Å |
| 645 | M | 88.3 | Confident | 83 | Confident | 49 Ų | 49 | 48 Ų | 48 | 24% | 0.241 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -20.2 | -179.8 | -72.4 | 174.7 | 74.2 | 0 | 0 | 114.4 | A577 H578 M581 E641 V643 | A577-M645 HydrophobicContact CB-SD 3.6Å; A577-M645 VanDerWaalsContact CB-SD 3.6Å; H578-M645 WeakPolarHBondContact CE1-CE 3.3Å; H578-M645 WeakPolarHBondContact ND1-CE 3.16Å; H578-M645 WeakPolarHBondContact NE2-CE 3.37Å; M581-M645 HydrophobicContact CE-CB 3.85Å; M581-M645 WeakPolarHBondContact CE-O 3.43Å; M581-M645 HydrophobicContact SD-CB 3.48Å; M581-M645 WeakPolarHBondContact SD-CB 3.46Å; M581-M645 HydrophobicContact SD-CE 3.52Å; M581-M645 VanDerWaalsContact SD-CE 3.52Å; M581-M645 HydrophobicContact SD-CG 4.32Å; M581-M645 HydrophobicContact SD-SD 4.01Å; E641-M645 WeakPolarHBondContact O-CB 3.42Å; E641-M645 WeakPolarHBondContact O-CG 3.41Å; E641-M645 PolarHBondContact O-N 3.49Å; V643-M645 VanDerWaalsContact C-N 3.29Å; V643-M645 PolarHBondContact O-N 3.32Å |
| 646 | V | 87.9 | Confident | 79.9 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -90.2 | 139.1 | -178.7 | 179.1 | 0 | 0 | 0 | 0 | 110 | M581 S642 V643 I644 D648 Q651 L652 H740 | M581-V646 HydrophobicContact CE-CG2 3.88Å; M581-V646 HydrophobicContact CG-CG2 4.38Å; S642-V646 WeakPolarHBondContact O-CG2 3.33Å; V643-V646 PolarHBondContact O-N 2.99Å; I644-V646 VanDerWaalsContact C-N 3.32Å; I644-V646 PolarHBondContact O-N 3.01Å; V646-D648 WeakPolarHBondContact CG1-O 3.33Å; V646-D648 PolarHBondContact O-N 3.32Å; V646-Q651 HydrophobicContact CG1-CB 4.5Å; V646-L652 HydrophobicContact CG2-CD2 3.92Å; V646-L652 HydrophobicContact CG2-CG 4.43Å; V646-H740 PolarHBondContact O-CE1 2.67Å; V646-H740 PolarHBondContact O-NE2 3.42Å |
| 647 | P | 84.2 | Confident | 76.7 | Confident | 113 Ų | 113 | 56.2 Ų | 56.2 | 73% | 0.734 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -59.9 | -43.6 | 177.7 | -25.9 | 34.8 | 0 | 0 | 0 | 114 | H740 | P647-H740 PolarHBondContact O-NE2 3.47Å; P647-H740 VanDerWaalsContact O-NE2 3.07Å |
| 648 | D | 82.9 | Confident | 73.5 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 28% | 0.283 | 31% | 0.313 | S | S | . | . | trans | -127.5 | 115.3 | 175.5 | 173.6 | 20.2 | 0 | 0 | 0 | 110.3 | V646 N650 Q651 | V646-D648 WeakPolarHBondContact CG1-O 3.33Å; V646-D648 PolarHBondContact O-N 3.32Å; D648-N650 PolarHBondContact O-N 3.29Å; D648-N650 WeakPolarHBondContact OD1-CB 3.37Å; D648-N650 PolarHBondContact OD1-N 3.49Å; D648-N650 VanDerWaalsContact OD1-N 3.08Å; D648-N650 PolarHBondContact OD1-ND2 3.43Å; D648-Q651 HydrophobicContact CB-CG 4.09Å; D648-Q651 WeakPolarHBondContact O-CB 3.42Å; D648-Q651 PolarHBondContact O-N 3.47Å | ||
| 649 | P | 83.5 | Confident | 70.1 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -67.4 | -19.5 | -176.3 | 33.3 | -39.8 | 0 | 0 | 0 | 112.5 | V643 Q651 L652 P739 F743 | V643-P649 HydrophobicContact CG1-CB 4Å; P649-Q651 PolarHBondContact O-N 3.31Å; P649-L652 WeakPolarHBondContact O-CB 3.44Å; P649-L652 WeakPolarHBondContact O-CG 3.43Å; P649-L652 PolarHBondContact O-N 3.33Å; P649-P739 HydrophobicContact CG-CB 4.1Å; P649-P739 WeakPolarHBondContact CG-O 3.39Å; P649-F743 HydrophobicContact CB-CB 3.93Å; P649-F743 HydrophobicContact CB-CD1 4.19Å; P649-F743 HydrophobicContact CB-CD2 3.78Å; P649-F743 HydrophobicContact CB-CE2 4.26Å; P649-F743 HydrophobicContact CB-CG 3.72Å; P649-F743 HydrophobicContact CG-CB 3.87Å; P649-F743 HydrophobicContact CG-CD2 4.27Å; P649-F743 HydrophobicContact CG-CG 4.18Å; P649-F743 WeakPolarHBondContact O-CE2 3.48Å |
| 650 | N | 79.8 | Confident | 66.9 | Low | 107 Ų | 107 | 78.2 Ų | 78.2 | 57% | 0.572 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -68 | -15 | 175 | -59 | -61.9 | 0 | 0 | 0 | 112.7 | D648 L652 | D648-N650 PolarHBondContact O-N 3.29Å; D648-N650 WeakPolarHBondContact OD1-CB 3.37Å; D648-N650 PolarHBondContact OD1-N 3.49Å; D648-N650 VanDerWaalsContact OD1-N 3.08Å; D648-N650 PolarHBondContact OD1-ND2 3.43Å; N650-L652 VanDerWaalsContact C-N 3.28Å |
| 651 | Q | 74 | Confident | 63.6 | Low | 117 Ų | 117 | 83.9 Ų | 83.9 | 55% | 0.547 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -74 | -20 | 171.7 | -62.4 | -176.7 | 4 | 0 | 0 | 112.9 | V646 D648 P649 K653 | V646-Q651 HydrophobicContact CG1-CB 4.5Å; D648-Q651 HydrophobicContact CB-CG 4.09Å; D648-Q651 WeakPolarHBondContact O-CB 3.42Å; D648-Q651 PolarHBondContact O-N 3.47Å; P649-Q651 PolarHBondContact O-N 3.31Å; Q651-K653 PolarHBondContact O-N 2.87Å |
| 652 | L | 75.8 | Confident | 60.6 | Low | 3 Ų | 3 | 90 Ų | 90 | 2% | 0.016 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -66 | 88.8 | 167 | -59.5 | 172.6 | 0 | 0 | 0 | 106.4 | V643 V646 P649 N650 L654 F695 F743 | V643-L652 HydrophobicContact CG2-CD1 3.9Å; V646-L652 HydrophobicContact CG2-CD2 3.92Å; V646-L652 HydrophobicContact CG2-CG 4.43Å; P649-L652 WeakPolarHBondContact O-CB 3.44Å; P649-L652 WeakPolarHBondContact O-CG 3.43Å; P649-L652 PolarHBondContact O-N 3.33Å; N650-L652 VanDerWaalsContact C-N 3.28Å; L652-L654 PolarHBondContact O-N 2.93Å; L652-F695 HydrophobicContact CB-CD1 4.29Å; L652-F695 HydrophobicContact CB-CE1 4.46Å; L652-F695 HydrophobicContact CD1-CD1 4.42Å; L652-F695 HydrophobicContact CD1-CD2 4.27Å; L652-F695 HydrophobicContact CD1-CE1 4.08Å; L652-F695 HydrophobicContact CD1-CE2 3.91Å; L652-F695 HydrophobicContact CD1-CZ 3.81Å; L652-F695 HydrophobicContact CD2-CD2 4.46Å; L652-F695 HydrophobicContact CD2-CG 4.45Å; L652-F743 HydrophobicContact CB-CZ 4.29Å; L652-F743 HydrophobicContact CD1-CE1 4.23Å; L652-F743 HydrophobicContact CD1-CZ 3.94Å |
| 653 | K | 60.8 | Low | 57.5 | Low | 170 Ų | 170 | 97 Ų | 97 | 74% | 0.739 | 49% | 0.492 | S | S | * | . | trans | -57 | 87.4 | 179 | -71.6 | 179.5 | -179.2 | 173.3 | 0 | 109.4 | Q651 N693 | Q651-K653 PolarHBondContact O-N 2.87Å; K653-N693 PolarHBondContact O-ND2 3.08Å | ||
| 654 | L | 55.9 | Low | 54.4 | Low | 49 Ų | 49 | 105.9 Ų | 105.9 | 26% | 0.257 | 53% | 0.531 | S | S | . | . | trans | -66.8 | 134.4 | 169.7 | -75.9 | 149.8 | 0 | 0 | 0 | 106.7 | L652 S656 F695 L699 F743 H747 | L652-L654 PolarHBondContact O-N 2.93Å; L654-S656 PolarHBondContact O-N 3.31Å; L654-F695 HydrophobicContact CD2-CD1 4.35Å; L654-F695 HydrophobicContact CD2-CE1 4.12Å; L654-L699 HydrophobicContact CD2-CD2 3.68Å; L654-F743 HydrophobicContact CD1-CD2 4.37Å; L654-F743 HydrophobicContact CD1-CE2 3.33Å; L654-F743 HydrophobicContact CD1-CZ 3.55Å; L654-F743 HydrophobicContact CG-CE2 4.36Å; L654-F743 HydrophobicContact CG-CZ 4.24Å; L654-H747 WeakPolarHBondContact CD1-NE2 3.23Å | ||
| 655 | W | 40.8 | Very low | 51.4 | Low | 196 Ų | 196 | 109.2 Ų | 109.2 | 74% | 0.742 | 55% | 0.549 | S | S | * | . | trans | -64.5 | 102.2 | 169.5 | -179.3 | 67.9 | 0 | 0 | 0 | 108 | P657 T696 | W655-P657 HydrophobicContact CE3-CB 4.44Å; W655-P657 HydrophobicContact CE3-CG 4.22Å; W655-P657 HydrophobicContact CH2-CB 3.7Å; W655-P657 HydrophobicContact CH2-CG 4.13Å; W655-P657 HydrophobicContact CZ2-CB 3.87Å; W655-P657 HydrophobicContact CZ3-CB 3.99Å; W655-P657 HydrophobicContact CZ3-CG 3.9Å; W655-P657 WeakPolarHBondContact O-CD 3.27Å; W655-T696 HydrophobicContact CB-CG2 4.02Å | ||
| 656 | S | 30.1 | Very low | 48.6 | Very low | 95 Ų | 95 | 113.9 Ų | 113.9 | 66% | 0.664 | 58% | 0.575 | S | S | * | * | trans | -80.7 | 112.3 | 160.4 | -73.9 | 0 | 0 | 0 | 0 | 107 | L654 S658 | L654-S656 PolarHBondContact O-N 3.31Å; S656-S658 PolarHBondContact O-N 2.84Å | ||
| 657 | P | 29 | Very low | 45.5 | Very low | 77 Ų | 77 | 122.1 Ų | 122.1 | 50% | 0.5 | 61% | 0.61 | S | S | . | * | trans | -63.7 | 88.8 | 159 | 24.7 | -28.2 | 0 | 0 | 0 | 106.9 | W655 Y659 | W655-P657 HydrophobicContact CE3-CB 4.44Å; W655-P657 HydrophobicContact CE3-CG 4.22Å; W655-P657 HydrophobicContact CH2-CB 3.7Å; W655-P657 HydrophobicContact CH2-CG 4.13Å; W655-P657 HydrophobicContact CZ2-CB 3.87Å; W655-P657 HydrophobicContact CZ3-CB 3.99Å; W655-P657 HydrophobicContact CZ3-CG 3.9Å; W655-P657 WeakPolarHBondContact O-CD 3.27Å; P657-Y659 PolarHBondContact O-N 2.72Å | ||
| 658 | S | 24.4 | Very low | 42.7 | Very low | 90 Ų | 90 | 122.3 Ų | 122.3 | 63% | 0.629 | 61% | 0.609 | S | S | * | * | trans | -70.2 | 78.9 | 175.4 | -176.2 | 0 | 0 | 0 | 0 | 109 | S656 K660 | S656-S658 PolarHBondContact O-N 2.84Å; S658-K660 PolarHBondContact O-N 3.45Å | ||
| 659 | Y | 24.5 | Very low | 40 | Very low | 222 Ų | 222 | 127.2 Ų | 127.2 | 87% | 0.871 | 64% | 0.635 | S | S | * | * | trans | -80.5 | 68.1 | 144.6 | -81 | -84.7 | 0 | 0 | 0 | 106.7 | P657 | P657-Y659 PolarHBondContact O-N 2.72Š| ||
| 660 | K | 25.5 | Very low | 37.1 | Very low | 171 Ų | 171 | 136 Ų | 136 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | trans | -82.5 | 117.9 | 156.2 | -85.8 | -172.5 | 174.5 | -176.6 | 0 | 105.2 | S658 D662 | S658-K660 PolarHBondContact O-N 3.45Å; K660-D662 PolarHBondContact O-N 3.36Å | ||
| 661 | D | 24.8 | Very low | 34.4 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | trans | -49.6 | 96.3 | 169.1 | -76 | -48.6 | 0 | 0 | 0 | 110 | N663 | D661-N663 PolarHBondContact O-N 3.39Š| ||
| 662 | D | 26.9 | Very low | 32.3 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 80% | 0.802 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 39.8 | 162.7 | -78.7 | -22 | 0 | 0 | 0 | 110.6 | K660 | K660-D662 PolarHBondContact O-N 3.36Š|
| 663 | N | 27.9 | Very low | 29.9 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 16.1 | 170.2 | -94.3 | -2.2 | 0 | 0 | 0 | 112.6 | D661 L665 | D661-N663 PolarHBondContact O-N 3.39Å; N663-L665 VanDerWaalsContact C-N 3.27Å; N663-L665 PolarHBondContact O-N 3Å |
| 664 | K | 26.3 | Very low | 28.1 | Very low | 187 Ų | 187 | 141.3 Ų | 141.3 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | trans | -88.5 | 79 | 155.6 | -77.2 | -171.1 | 178 | -178.1 | 0 | 109 | N666 | K664-N666 PolarHBondContact O-N 3.39Š| ||
| 665 | L | 27 | Very low | 26.6 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | -57.4 | 83.3 | 161.4 | -150.7 | 98.4 | 0 | 0 | 0 | 107.9 | N663 K667 | N663-L665 VanDerWaalsContact C-N 3.27Å; N663-L665 PolarHBondContact O-N 3Å; L665-K667 PolarHBondContact O-N 3.47Å | ||
| 666 | N | 27.8 | Very low | 26 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -69.2 | 92.6 | 166.8 | -85.5 | -1.6 | 0 | 0 | 0 | 107.3 | K664 T668 | K664-N666 PolarHBondContact O-N 3.39Å; N666-T668 PolarHBondContact O-N 3.47Å | ||
| 667 | K | 23.8 | Very low | 25.6 | Very low | 183 Ų | 183 | 146.6 Ų | 146.6 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -50.1 | 111.3 | 146.6 | -69.2 | 175.1 | 173.9 | 179 | 0 | 107.6 | L665 | L665-K667 PolarHBondContact O-N 3.47Š| ||
| 668 | T | 25.4 | Very low | 25.4 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | trans | -176.8 | 112.2 | 135.1 | 41.8 | 0 | 0 | 0 | 0 | 108.2 | N666 | N666-T668 PolarHBondContact O-N 3.47Š| ||
| 669 | D | 25.4 | Very low | 25.5 | Very low | 156 Ų | 156 | 154.6 Ų | 154.6 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | 79.2 | 104.2 | 139.1 | -52.3 | -21.4 | 0 | 0 | 0 | 119.9 | ||||
| 670 | E | 22.7 | Very low | 25.5 | Very low | 183 Ų | 183 | 149.9 Ų | 149.9 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -45.2 | 155.9 | 152.5 | -62.6 | 174.1 | 144.9 | 0 | 0 | 113.8 | ||||
| 671 | S | 24.4 | Very low | 25.4 | Very low | 104 Ų | 104 | 147 Ų | 147 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 81.6 | 109.9 | 153.6 | 78.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 672 | I | 29.5 | Very low | 25.4 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 82% | 0.821 | 78% | 0.782 | S | S | * | * | 168.9 | 121.5 | 108.5 | -81.1 | 156 | 0 | 0 | 0 | 110.6 | |||||
| 673 | A | 25.8 | Very low | 25.2 | Very low | 80 Ų | 80 | 147.6 Ų | 147.6 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | trans | 56.1 | 110.4 | 146.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 674 | L | 21.4 | Very low | 25 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | 14.5 | 107.1 | 110.9 | -68.5 | 155.7 | 0 | 0 | 0 | 116.7 | |||||
| 675 | H | 24.9 | Very low | 25 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | -169.2 | 143.5 | 130.6 | -115.3 | -72.5 | 0 | 0 | 0 | 113.4 | ||||
| 676 | N | 28.1 | Very low | 25.2 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | 94.5 | 79.8 | 158.9 | -64.2 | -9.4 | 0 | 0 | 0 | 120 | ||||
| 677 | N | 23.2 | Very low | 25.5 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | 23.2 | 130.7 | 113.1 | -88.6 | -9.3 | 0 | 0 | 0 | 120.2 | |||||
| 678 | N | 23.9 | Very low | 26.3 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | 66.5 | 85.8 | 136.3 | -63.5 | -12.3 | 0 | 0 | 0 | 118.3 | ||||
| 679 | K | 26.6 | Very low | 27.3 | Very low | 195 Ų | 195 | 127.4 Ų | 127.4 | 85% | 0.848 | 71% | 0.707 | S | S | * | * | -151.5 | 95.8 | 126.8 | -100.6 | 165.4 | -166.7 | -178.9 | 0 | 107.7 | T681 | K679-T681 PolarHBondContact O-N 2.81Š| |||
| 680 | S | 23.3 | Very low | 28.6 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 86% | 0.86 | 70% | 0.701 | S | S | * | * | trans | -61.1 | 71.9 | 166.9 | 55.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 681 | T | 23.9 | Very low | 30.2 | Very low | 111 Ų | 111 | 118.1 Ų | 118.1 | 68% | 0.681 | 67% | 0.666 | S | S | * | * | trans | -95.3 | 103.9 | 152.7 | -35.8 | 0 | 0 | 0 | 0 | 102.5 | K679 Q683 | K679-T681 PolarHBondContact O-N 2.81Å; T681-Q683 PolarHBondContact O-N 2.67Å | ||
| 682 | V | 24.4 | Very low | 32.3 | Very low | 128 Ų | 128 | 116 Ų | 116 | 78% | 0.776 | 65% | 0.65 | S | S | * | * | trans | -55.8 | 92.4 | 168.6 | 175.7 | 0 | 0 | 0 | 0 | 105.5 | S684 | V682-S684 PolarHBondContact O-N 2.87Š| ||
| 683 | Q | 22.7 | Very low | 34.8 | Very low | 176 Ų | 176 | 109.9 Ų | 109.9 | 82% | 0.822 | 62% | 0.619 | S | S | * | * | trans | -64.7 | 92.2 | 157.1 | -76.3 | -177.3 | 4.1 | 0 | 0 | 103.2 | T681 N685 | T681-Q683 PolarHBondContact O-N 2.67Å; Q683-N685 PolarHBondContact O-N 3.39Å | ||
| 684 | S | 24 | Very low | 37.8 | Very low | 77 Ų | 77 | 106.4 Ų | 106.4 | 54% | 0.538 | 59% | 0.589 | S | S | . | * | trans | -47.8 | 112.7 | 166.3 | 51.8 | 0 | 0 | 0 | 0 | 106 | V682 N686 | V682-S684 PolarHBondContact O-N 2.87Å; S684-N686 VanDerWaalsContact C-N 3.28Å; S684-N686 PolarHBondContact O-N 3.44Å; S684-N686 PolarHBondContact O-OD1 2.94Å; S684-N686 PolarHBondContact OG-OD1 2.92Å | ||
| 685 | N | 26.9 | Very low | 41.1 | Very low | 149 Ų | 149 | 98.5 Ų | 98.5 | 80% | 0.797 | 55% | 0.548 | S | S | * | . | trans | -51 | 103.4 | 164.5 | -78.8 | -25.3 | 0 | 0 | 0 | 105.8 | Q683 S687 | Q683-N685 PolarHBondContact O-N 3.39Å; N685-S687 PolarHBondContact O-N 3.35Å | ||
| 686 | N | 30.5 | Very low | 44.2 | Very low | 126 Ų | 126 | 91.5 Ų | 91.5 | 67% | 0.674 | 52% | 0.518 | S | S | * | . | trans | -72.5 | 52.8 | 176.9 | -80.8 | -12.2 | 0 | 0 | 0 | 109.7 | S684 | S684-N686 VanDerWaalsContact C-N 3.28Å; S684-N686 PolarHBondContact O-N 3.44Å; S684-N686 PolarHBondContact O-OD1 2.94Å; S684-N686 PolarHBondContact OG-OD1 2.92Å | ||
| 687 | S | 34.1 | Very low | 47.1 | Very low | 83 Ų | 83 | 85.5 Ų | 85.5 | 58% | 0.58 | 49% | 0.486 | S | S | * | . | trans | -86.5 | 16.6 | 161.6 | 65.4 | 0 | 0 | 0 | 0 | 111.2 | N685 T689 | N685-S687 PolarHBondContact O-N 3.35Å; S687-T689 PolarHBondContact O-N 3.17Å | ||
| 688 | S | 41 | Very low | 50.5 | Low | 55 Ų | 55 | 78.9 Ų | 78.9 | 39% | 0.385 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -55.9 | 139.2 | 161.5 | 51.2 | 0 | 0 | 0 | 0 | 107.8 | V690 | S688-V690 VanDerWaalsContact C-N 3.31Å; S688-V690 WeakPolarHBondContact O-CG2 3.44Å; S688-V690 PolarHBondContact O-N 3.42Å |
| 689 | T | 46.7 | Very low | 53.8 | Low | 13 Ų | 13 | 72.9 Ų | 72.9 | 8% | 0.08 | 42% | 0.418 | C | S | . | . | trans | -53.2 | 90 | -174.1 | -14 | 0 | 0 | 0 | 0 | 109.5 | G346 S687 M691 | G346-T689 WeakPolarHBondContact CA-OG1 3.41Å; G346-T689 PolarHBondContact O-OG1 2.97Å; S687-T689 PolarHBondContact O-N 3.17Å; T689-M691 VanDerWaalsContact C-N 3.28Å; T689-M691 PolarHBondContact O-N 3.32Å | ||
| 690 | V | 52.3 | Low | 56.8 | Low | 118 Ų | 118 | 68 Ų | 68 | 72% | 0.715 | 39% | 0.394 | S | S | * | . | trans | -69.8 | 96 | 178.3 | -174.8 | 0 | 0 | 0 | 0 | 105.3 | S688 | S688-V690 VanDerWaalsContact C-N 3.31Å; S688-V690 WeakPolarHBondContact O-CG2 3.44Å; S688-V690 PolarHBondContact O-N 3.42Å | ||
| 691 | M | 57 | Low | 60.2 | Low | 26 Ų | 26 | 62.1 Ų | 62.1 | 13% | 0.128 | 35% | 0.353 | C | S | . | . | trans | -44.4 | 132.7 | 164 | -80.8 | -75.2 | 133.3 | 0 | 0 | 107.4 | C537 F538 Q598 T689 N693 | C537-M691 HydrophobicContact CB-SD 4.39Å; C537-M691 WeakPolarHBondContact O-CE 3.39Å; F538-M691 HydrophobicContact CD1-CE 3.84Å; F538-M691 HydrophobicContact CE1-CE 4.35Å; F538-M691 HydrophobicContact CG-CE 4.36Å; Q598-M691 PolarHBondContact NE2-SD 2.95Å; T689-M691 VanDerWaalsContact C-N 3.28Å; T689-M691 PolarHBondContact O-N 3.32Å; M691-N693 PolarHBondContact O-N 3.48Å | ||
| 692 | P | 67.4 | Low | 63.6 | Low | 61 Ų | 61 | 56.9 Ų | 56.9 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | trans | -54.5 | 135.3 | 179.6 | 13.9 | -21.8 | 0 | 0 | 0 | 109.6 | L694 I697 | P692-L694 PolarHBondContact O-N 2.8Å; P692-I697 HydrophobicContact CB-CD1 3.98Å; P692-I697 HydrophobicContact CB-CG1 4.14Å; P692-I697 HydrophobicContact CG-CD1 3.91Å; P692-I697 HydrophobicContact CG-CG1 4.47Å; P692-I697 WeakPolarHBondContact O-CD1 3.31Å | ||
| 693 | N | 82.7 | Confident | 66.7 | Low | 31 Ų | 31 | 53.3 Ų | 53.3 | 17% | 0.166 | 30% | 0.301 | C | S | . | . | trans | -53.5 | 125.6 | -178.1 | 179.5 | -10.7 | 0 | 0 | 0 | 109.8 | K653 M691 F695 T696 I697 | K653-N693 PolarHBondContact O-ND2 3.08Å; M691-N693 PolarHBondContact O-N 3.48Å; N693-F695 PolarHBondContact O-N 2.96Å; N693-F695 WeakPolarHBondContact OD1-CB 3.02Å; N693-F695 PolarHBondContact OD1-N 3.15Å; N693-T696 WeakPolarHBondContact O-CB 3.34Å; N693-T696 PolarHBondContact O-N 2.86Å; N693-I697 PolarHBondContact O-N 2.82Å | ||
| 694 | L | 88.6 | Confident | 69.9 | Low | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.7 | -39.8 | -178.8 | -178.2 | 57.4 | 0 | 0 | 0 | 112.1 | I580 M597 Q598 P692 T696 I697 C698 | I580-L694 HydrophobicContact CG1-CD2 3.85Å; I580-L694 HydrophobicContact CG1-CG 4.04Å; M597-L694 HydrophobicContact CB-CD1 4.19Å; M597-L694 HydrophobicContact CB-CD2 4.47Å; M597-L694 HydrophobicContact CG-CD1 3.92Å; M597-L694 HydrophobicContact CG-CD2 4.47Å; Q598-L694 HydrophobicContact CB-CD1 3.88Å; P692-L694 PolarHBondContact O-N 2.8Å; L694-T696 VanDerWaalsContact C-N 3.32Å; L694-T696 PolarHBondContact O-N 2.9Å; L694-I697 PolarHBondContact O-N 3.25Å; L694-I697 VanDerWaalsContact O-N 3.15Å; L694-C698 PolarHBondContact O-N 3.39Å; L694-C698 PolarHBondContact O-SG 3.14Å; L694-C698 VanDerWaalsContact O-SG 3.36Å |
| 695 | F | 91.2 | Very high | 73.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57 | -45.6 | 176.1 | -179 | -94.7 | 0 | 0 | 0 | 111.9 | I580 I639 V643 L652 L654 N693 I697 C698 L699 F743 | I580-F695 HydrophobicContact CG2-CB 3.84Å; I580-F695 HydrophobicContact CG2-CD2 4.2Å; I639-F695 HydrophobicContact CD1-CD2 4Å; I639-F695 HydrophobicContact CD1-CE2 3.74Å; I639-F695 HydrophobicContact CD1-CZ 4.2Å; I639-F695 HydrophobicContact CG2-CE2 3.99Å; I639-F695 HydrophobicContact CG2-CZ 3.85Å; V643-F695 HydrophobicContact CG2-CE2 3.99Å; V643-F695 HydrophobicContact CG2-CZ 3.77Å; L652-F695 HydrophobicContact CB-CD1 4.29Å; L652-F695 HydrophobicContact CB-CE1 4.46Å; L652-F695 HydrophobicContact CD1-CD1 4.42Å; L652-F695 HydrophobicContact CD1-CD2 4.27Å; L652-F695 HydrophobicContact CD1-CE1 4.08Å; L652-F695 HydrophobicContact CD1-CE2 3.91Å; L652-F695 HydrophobicContact CD1-CZ 3.81Å; L652-F695 HydrophobicContact CD2-CD2 4.46Å; L652-F695 HydrophobicContact CD2-CG 4.45Å; L654-F695 HydrophobicContact CD2-CD1 4.35Å; L654-F695 HydrophobicContact CD2-CE1 4.12Å; N693-F695 PolarHBondContact O-N 2.96Å; N693-F695 WeakPolarHBondContact OD1-CB 3.02Å; N693-F695 PolarHBondContact OD1-N 3.15Å; F695-I697 VanDerWaalsContact C-N 3.31Å; F695-I697 PolarHBondContact O-N 2.68Å; F695-C698 PolarHBondContact O-N 2.7Å; F695-L699 HydrophobicContact CE1-CD2 4.21Å; F695-L699 VanDerWaalsContact O-CB 3.31Å; F695-L699 WeakPolarHBondContact O-CB 3.18Å; F695-L699 PolarHBondContact O-N 3.4Å; F695-F743 HydrophobicContact CE1-CE1 4.1Å; F695-F743 AromaticContact CE1-CZ 3.85Å; F695-F743 HydrophobicContact CE1-CZ 3.85Å; F695-F743 AromaticContact CZ-CE1 3.91Å; F695-F743 HydrophobicContact CZ-CE1 3.91Å; F695-F743 HydrophobicContact CZ-CZ 4.1Å |
| 696 | T | 89 | Confident | 76.3 | Confident | 28 Ų | 28 | 35.8 Ų | 35.8 | 17% | 0.172 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.2 | -36.2 | 178.8 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | W655 N693 L694 R700 | W655-T696 HydrophobicContact CB-CG2 4.02Å; N693-T696 WeakPolarHBondContact O-CB 3.34Å; N693-T696 PolarHBondContact O-N 2.86Å; L694-T696 VanDerWaalsContact C-N 3.32Å; L694-T696 PolarHBondContact O-N 2.9Å; T696-R700 WeakPolarHBondContact O-CB 3.26Å; T696-R700 PolarHBondContact O-N 2.85Å |
| 697 | I | 90.3 | Very high | 79 | Confident | 12 Ų | 12 | 31.8 Ų | 31.8 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.5 | -45.3 | 178.5 | -59.1 | 168.8 | 0 | 0 | 0 | 110.2 | Q598 A601 S602 P692 N693 L694 F695 R700 L701 | Q598-I697 HydrophobicContact CG-CD1 3.65Å; A601-I697 HydrophobicContact CB-CG2 3.64Å; S602-I697 VanDerWaalsContact OG-CG2 3.31Å; S602-I697 WeakPolarHBondContact OG-CG2 3.3Å; P692-I697 HydrophobicContact CB-CD1 3.98Å; P692-I697 HydrophobicContact CB-CG1 4.14Å; P692-I697 HydrophobicContact CG-CD1 3.91Å; P692-I697 HydrophobicContact CG-CG1 4.47Å; P692-I697 WeakPolarHBondContact O-CD1 3.31Å; N693-I697 PolarHBondContact O-N 2.82Å; L694-I697 PolarHBondContact O-N 3.25Å; L694-I697 VanDerWaalsContact O-N 3.15Å; F695-I697 VanDerWaalsContact C-N 3.31Å; F695-I697 PolarHBondContact O-N 2.68Å; I697-R700 WeakPolarHBondContact O-CB 3.49Å; I697-R700 PolarHBondContact O-N 3.09Å; I697-L701 PolarHBondContact O-N 3.47Å; I697-L701 VanDerWaalsContact O-N 3.08Å |
| 698 | C | 93.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 175.6 | -66 | 0 | 0 | 0 | 0 | 111.6 | F635 I639 L694 F695 R700 L701 L702 | F635-C698 HydrophobicContact CD1-CB 4.02Å; F635-C698 HydrophobicContact CE1-CB 4.06Å; I639-C698 HydrophobicContact CD1-CB 3.88Å; L694-C698 PolarHBondContact O-N 3.39Å; L694-C698 PolarHBondContact O-SG 3.14Å; L694-C698 VanDerWaalsContact O-SG 3.36Å; F695-C698 PolarHBondContact O-N 2.7Å; C698-R700 VanDerWaalsContact C-N 3.32Å; C698-R700 PolarHBondContact O-N 3.22Å; C698-L701 PolarHBondContact O-N 3.33Å; C698-L702 PolarHBondContact O-N 3.14Å |
| 699 | L | 92.8 | Very high | 83.8 | Confident | 12 Ų | 12 | 25.9 Ų | 25.9 | 6% | 0.063 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 176.2 | 179.5 | 61.8 | 0 | 0 | 0 | 111 | I639 L654 F695 L701 L702 S703 H747 I748 | I639-L699 HydrophobicContact CD1-CB 4.07Å; I639-L699 HydrophobicContact CG2-CD1 4.17Å; L654-L699 HydrophobicContact CD2-CD2 3.68Å; F695-L699 HydrophobicContact CE1-CD2 4.21Å; F695-L699 VanDerWaalsContact O-CB 3.31Å; F695-L699 WeakPolarHBondContact O-CB 3.18Å; F695-L699 PolarHBondContact O-N 3.4Å; L699-L701 VanDerWaalsContact C-N 3.34Å; L699-L701 PolarHBondContact O-N 3.43Å; L699-L702 PolarHBondContact O-N 2.61Å; L699-S703 PolarHBondContact O-N 3.39Å; L699-S703 PolarHBondContact O-OG 3.34Å; L699-H747 HydrophobicContact CD1-CB 4.35Å; L699-H747 HydrophobicContact CD2-CB 4.15Å; L699-I748 HydrophobicContact CD1-CG2 3.89Å |
| 700 | R | 91 | Very high | 85.7 | Confident | 93 Ų | 93 | 26.4 Ų | 26.4 | 35% | 0.351 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -58.6 | -45.7 | 175.3 | -179.6 | -179 | -179.6 | -174.7 | -0.4 | 111.5 | T696 I697 C698 S703 V704 G916 C917 | T696-R700 WeakPolarHBondContact O-CB 3.26Å; T696-R700 PolarHBondContact O-N 2.85Å; I697-R700 WeakPolarHBondContact O-CB 3.49Å; I697-R700 PolarHBondContact O-N 3.09Å; C698-R700 VanDerWaalsContact C-N 3.32Å; C698-R700 PolarHBondContact O-N 3.22Å; R700-S703 PolarHBondContact O-N 3.43Å; R700-V704 HydrophobicContact CG-CG2 4.42Å; R700-V704 WeakPolarHBondContact O-CG2 3.25Å; R700-V704 PolarHBondContact O-N 3.37Å; R700-G916 PolarHBondContact NH2-O 2.89Å; R700-G916 VanDerWaalsContact NH2-O 3.09Å; R700-C917 PolarHBondContact NE-SG 3.49Å |
| 701 | L | 93.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 178.3 | 178 | 55.5 | 0 | 0 | 0 | 111.2 | F600 A601 T604 S605 L608 M631 F635 I697 C698 L699 S703 V704 I705 | F600-L701 HydrophobicContact CE1-CD2 4.17Å; A601-L701 HydrophobicContact CB-CB 4.44Å; A601-L701 HydrophobicContact CB-CD2 3.99Å; T604-L701 HydrophobicContact CG2-CD1 3.91Å; S605-L701 WeakPolarHBondContact OG-CA 3.35Å; S605-L701 WeakPolarHBondContact OG-CB 3.27Å; L608-L701 HydrophobicContact CD1-CD1 3.98Å; M631-L701 HydrophobicContact CE-CD1 4.2Å; M631-L701 HydrophobicContact CE-CD2 3.86Å; M631-L701 HydrophobicContact CE-CG 4.41Å; F635-L701 HydrophobicContact CD2-CD2 3.96Å; F635-L701 HydrophobicContact CD2-CG 4.37Å; F635-L701 HydrophobicContact CE1-CD2 4.17Å; F635-L701 HydrophobicContact CE2-CD2 3.4Å; F635-L701 HydrophobicContact CE2-CG 4.28Å; F635-L701 HydrophobicContact CZ-CD2 3.53Å; I697-L701 PolarHBondContact O-N 3.47Å; I697-L701 VanDerWaalsContact O-N 3.08Å; C698-L701 PolarHBondContact O-N 3.33Å; L699-L701 VanDerWaalsContact C-N 3.34Å; L699-L701 PolarHBondContact O-N 3.43Å; L701-S703 VanDerWaalsContact C-N 3.32Å; L701-S703 PolarHBondContact O-N 3.18Å; L701-V704 WeakPolarHBondContact O-CB 3.22Å; L701-V704 PolarHBondContact O-N 3.29Å; L701-I705 HydrophobicContact CD1-CD1 3.95Å; L701-I705 HydrophobicContact CD1-CG1 4.11Å; L701-I705 HydrophobicContact CG-CD1 3.98Å; L701-I705 WeakPolarHBondContact O-CG1 3.43Å; L701-I705 PolarHBondContact O-N 3.49Å |
| 702 | L | 94.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.2 | -47.4 | 174.8 | 177.4 | 59.6 | 0 | 0 | 0 | 111.5 | F635 N636 I639 C698 L699 V704 I705 Y706 W720 I748 | F635-L702 HydrophobicContact CB-CB 4.13Å; F635-L702 HydrophobicContact CB-CD1 4.22Å; N636-L702 HydrophobicContact CB-CD1 4Å; I639-L702 HydrophobicContact CB-CD2 4.2Å; I639-L702 HydrophobicContact CG1-CD2 3.92Å; C698-L702 PolarHBondContact O-N 3.14Å; L699-L702 PolarHBondContact O-N 2.61Å; L702-V704 VanDerWaalsContact C-N 3.32Å; L702-V704 PolarHBondContact O-N 3.11Å; L702-I705 PolarHBondContact O-N 3.27Å; L702-Y706 WeakPolarHBondContact O-CB 3.29Å; L702-Y706 PolarHBondContact O-N 2.75Å; L702-W720 HydrophobicContact CD1-CE3 4.47Å; L702-W720 HydrophobicContact CD1-CZ3 3.69Å; L702-I748 HydrophobicContact CD2-CG2 3.62Å |
| 703 | S | 91 | Very high | 89.3 | Confident | 53 Ų | 53 | 30 Ų | 30 | 37% | 0.371 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -60.8 | -39.4 | 177.8 | -58 | 0 | 0 | 0 | 0 | 112.4 | L699 R700 L701 E707 | L699-S703 PolarHBondContact O-N 3.39Å; L699-S703 PolarHBondContact O-OG 3.34Å; R700-S703 PolarHBondContact O-N 3.43Å; L701-S703 VanDerWaalsContact C-N 3.32Å; L701-S703 PolarHBondContact O-N 3.18Å; S703-E707 VanDerWaalsContact O-CB 3.24Å; S703-E707 WeakPolarHBondContact O-CB 3.41Å; S703-E707 PolarHBondContact O-N 3.06Å |
| 704 | V | 89.9 | Confident | 89.6 | Confident | 8 Ų | 8 | 30 Ų | 30 | 5% | 0.048 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 176.6 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | L608 R700 L701 L702 R708 C917 | L608-V704 HydrophobicContact CB-CG1 3.69Å; L608-V704 HydrophobicContact CD1-CG1 4.36Å; R700-V704 HydrophobicContact CG-CG2 4.42Å; R700-V704 WeakPolarHBondContact O-CG2 3.25Å; R700-V704 PolarHBondContact O-N 3.37Å; L701-V704 WeakPolarHBondContact O-CB 3.22Å; L701-V704 PolarHBondContact O-N 3.29Å; L702-V704 VanDerWaalsContact C-N 3.32Å; L702-V704 PolarHBondContact O-N 3.11Å; V704-R708 WeakPolarHBondContact O-CB 3.32Å; V704-R708 PolarHBondContact O-N 3.07Å; V704-R708 VanDerWaalsContact O-N 3.13Å; V704-C917 HydrophobicContact CG2-CB 3.56Å; V704-C917 WeakPolarHBondContact CG2-SG 3.18Å |
| 705 | I | 92.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.1 | -46.1 | -179 | -59.9 | 167.8 | 0 | 0 | 0 | 110.2 | L608 M631 L701 L702 R708 D709 F714 W720 | L608-I705 HydrophobicContact CD1-CG1 4Å; M631-I705 HydrophobicContact CB-CD1 3.92Å; M631-I705 HydrophobicContact CE-CD1 4Å; L701-I705 HydrophobicContact CD1-CD1 3.95Å; L701-I705 HydrophobicContact CD1-CG1 4.11Å; L701-I705 HydrophobicContact CG-CD1 3.98Å; L701-I705 WeakPolarHBondContact O-CG1 3.43Å; L701-I705 PolarHBondContact O-N 3.49Å; L702-I705 PolarHBondContact O-N 3.27Å; I705-R708 WeakPolarHBondContact O-CB 3.33Å; I705-R708 PolarHBondContact O-N 3.38Å; I705-D709 PolarHBondContact O-N 2.83Å; I705-F714 HydrophobicContact CG2-CZ 4.04Å; I705-W720 HydrophobicContact CB-CH2 4.5Å; I705-W720 HydrophobicContact CG2-CH2 3.87Å; I705-W720 HydrophobicContact CG2-CZ2 4.47Å |
| 706 | Y | 91.8 | Very high | 89.6 | Confident | 23 Ų | 23 | 33.7 Ų | 33.7 | 9% | 0.09 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 179.8 | 174.2 | -101 | 0 | 0 | 0 | 112.8 | L702 R708 D709 S710 W720 H750 | L702-Y706 WeakPolarHBondContact O-CB 3.29Å; L702-Y706 PolarHBondContact O-N 2.75Å; Y706-R708 PolarHBondContact O-N 2.87Å; Y706-D709 PolarHBondContact O-N 2.96Å; Y706-S710 WeakPolarHBondContact CE1-OG 3.44Å; Y706-S710 WeakPolarHBondContact O-CB 3.48Å; Y706-S710 PolarHBondContact O-N 3.39Å; Y706-S710 PolarHBondContact O-OG 3.27Å; Y706-W720 AromaticContact CD2-CD2 3.85Å; Y706-W720 HydrophobicContact CD2-CD2 3.85Å; Y706-W720 AromaticContact CD2-CE2 3.79Å; Y706-W720 HydrophobicContact CD2-CE3 4.29Å; Y706-W720 HydrophobicContact CD2-CG 4.16Å; Y706-W720 HydrophobicContact CD2-CZ2 4.19Å; Y706-W720 HydrophobicContact CE2-CD2 4.46Å; Y706-W720 HydrophobicContact CE2-CG 4.3Å; Y706-H750 AromaticContact CD1-ND1 3.76Å; Y706-H750 HydrophobicContact CD2-CB 3.92Å; Y706-H750 AromaticContact CD2-CG 3.67Å; Y706-H750 AromaticContact CD2-ND1 3.68Å; Y706-H750 HydrophobicContact CE1-CB 4.3Å; Y706-H750 AromaticContact CE1-ND1 3.87Å; Y706-H750 HydrophobicContact CE2-CB 3.26Å; Y706-H750 AromaticContact CE2-CG 3.56Å; Y706-H750 AromaticContact CE2-ND1 3.8Å; Y706-H750 AromaticContact CG-CE1 3.98Å; Y706-H750 AromaticContact CG-ND1 3.66Å; Y706-H750 VanDerWaalsContact CZ-CB 3.48Å; Y706-H750 AromaticContact CZ-CG 3.94Å; Y706-H750 AromaticContact CZ-ND1 3.9Å |
| 707 | E | 86.9 | Confident | 89.5 | Confident | 42 Ų | 42 | 38 Ų | 38 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.9 | -32.6 | 178.6 | -167.2 | 67.2 | -140.8 | 0 | 0 | 110.8 | S703 R711 R912 P1022 | S703-E707 VanDerWaalsContact O-CB 3.24Å; S703-E707 WeakPolarHBondContact O-CB 3.41Å; S703-E707 PolarHBondContact O-N 3.06Å; E707-R711 PolarHBondContact O-N 3.03Å; E707-R912 IonicContact OE1-NH1 2.74Å; E707-R912 IonicContact OE2-CZ 2.98Å; E707-R912 IonicContact OE2-NH1 3.98Å; E707-R912 PolarHBondContact OE2-NH1 2.86Å; E707-P1022 WeakPolarHBondContact OE1-CD 3.38Å |
| 708 | R | 87.1 | Confident | 89.3 | Confident | 8 Ų | 8 | 43.4 Ų | 43.4 | 3% | 0.03 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.8 | -45.7 | 175 | -161.7 | 159.6 | -166.7 | 160.3 | -1.6 | 112.2 | L608 L611 D612 D613 L616 F617 V704 I705 Y706 S710 R711 H712 | L608-R708 PolarHBondContact O-NH1 3.07Å; L611-R708 PolarHBondContact O-NH1 3.16Å; L611-R708 PolarHBondContact O-NH2 3.15Å; L611-R708 VanDerWaalsContact O-NH2 3.11Å; D612-R708 PolarHBondContact O-NH2 2.81Å; D613-R708 VanDerWaalsContact CA-NH2 3.35Å; D613-R708 IonicContact OD1-CZ 3.13Å; D613-R708 IonicContact OD1-NE 2.68Å; D613-R708 PolarHBondContact OD1-NE 3.46Å; D613-R708 IonicContact OD1-NH2 3.68Å; D613-R708 PolarHBondContact OD1-NH2 3.11Å; L616-R708 VanDerWaalsContact CD2-NE 3.28Å; F617-R708 HydrophobicContact CZ-CG 4.22Å; V704-R708 WeakPolarHBondContact O-CB 3.32Å; V704-R708 PolarHBondContact O-N 3.07Å; V704-R708 VanDerWaalsContact O-N 3.13Å; I705-R708 WeakPolarHBondContact O-CB 3.33Å; I705-R708 PolarHBondContact O-N 3.38Å; Y706-R708 PolarHBondContact O-N 2.87Å; R708-S710 VanDerWaalsContact C-N 3.33Å; R708-S710 PolarHBondContact O-N 3.42Å; R708-R711 PolarHBondContact O-N 3.33Å; R708-H712 PolarHBondContact O-N 3.23Å |
| 709 | D | 89.6 | Confident | 89.2 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.032 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.4 | -36.6 | 174.8 | -176.6 | 67.2 | 0 | 0 | 0 | 112.3 | I705 Y706 R711 H712 L713 F714 T715 W720 | I705-D709 PolarHBondContact O-N 2.83Å; Y706-D709 PolarHBondContact O-N 2.96Å; D709-R711 PolarHBondContact O-N 3.43Å; D709-H712 WeakPolarHBondContact CA-O 3.41Å; D709-H712 CarbonylContact O-C 3.6Å; D709-H712 VanDerWaalsContact O-C 3.25Å; D709-L713 WeakPolarHBondContact O-CA 3.47Å; D709-L713 PolarHBondContact O-N 3.35Å; D709-F714 HydrophobicContact CB-CD1 4.15Å; D709-F714 HydrophobicContact CB-CE1 3.59Å; D709-F714 HydrophobicContact CB-CZ 3.88Å; D709-F714 PolarHBondContact OD1-N 3.36Å; D709-T715 HydrophobicContact CB-CG2 4.49Å; D709-T715 WeakPolarHBondContact OD1-CB 3.39Å; D709-T715 WeakPolarHBondContact OD1-CG2 3.23Å; D709-T715 PolarHBondContact OD1-N 2.8Å; D709-T715 PolarHBondContact OD1-OG1 3.45Å; D709-T715 PolarHBondContact OD2-OG1 2.77Å; D709-W720 HydrophobicContact CB-CZ2 3.93Å; D709-W720 PolarHBondContact OD2-NE1 2.97Å |
| 710 | S | 86 | Confident | 89.3 | Confident | 24 Ų | 24 | 45.8 Ų | 45.8 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -26.9 | 176.6 | -63.2 | 0 | 0 | 0 | 0 | 113.3 | Y706 R708 S1023 | Y706-S710 WeakPolarHBondContact CE1-OG 3.44Å; Y706-S710 WeakPolarHBondContact O-CB 3.48Å; Y706-S710 PolarHBondContact O-N 3.39Å; Y706-S710 PolarHBondContact O-OG 3.27Å; R708-S710 VanDerWaalsContact C-N 3.33Å; R708-S710 PolarHBondContact O-N 3.42Å; S710-S1023 PolarHBondContact O-OG 2.8Å |
| 711 | R | 82.4 | Confident | 89.3 | Confident | 63 Ų | 63 | 43.9 Ų | 43.9 | 24% | 0.238 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -94.4 | -44.2 | 179.2 | 174.5 | 170.8 | 47.9 | 91.1 | -11 | 112.1 | D613 E707 R708 D709 D922 E923 | D613-R711 IonicContact OD1-CZ 3.1Å; D613-R711 IonicContact OD1-NH1 2.67Å; D613-R711 PolarHBondContact OD1-NH1 3.49Å; D613-R711 IonicContact OD1-NH2 2.78Å; D613-R711 IonicContact OD2-CZ 2.82Å; D613-R711 IonicContact OD2-NH1 3.98Å; D613-R711 PolarHBondContact OD2-NH1 3.26Å; E707-R711 PolarHBondContact O-N 3.03Å; R708-R711 PolarHBondContact O-N 3.33Å; D709-R711 PolarHBondContact O-N 3.43Å; R711-D922 IonicContact CZ-OD2 3.44Å; R711-D922 VanDerWaalsContact NH1-CB 3.3Å; R711-D922 IonicContact NH1-OD2 2.67Å; R711-D922 IonicContact NH2-OD2 3.61Å; R711-D922 PolarHBondContact NH2-OD2 3.07Å; R711-E923 WeakPolarHBondContact CD-OE1 3.28Å |
| 712 | H | 83.9 | Confident | 89.1 | Confident | 86 Ų | 86 | 44.2 Ų | 44.2 | 40% | 0.398 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -128.1 | 100.3 | 176.7 | -171.7 | 108.6 | 0 | 0 | 0 | 108.6 | F617 R708 D709 F714 | F617-H712 HydrophobicContact CE2-CB 3.96Å; F617-H712 AromaticContact CE2-CD2 3.8Å; F617-H712 AromaticContact CE2-CG 3.78Å; F617-H712 HydrophobicContact CZ-CB 4.28Å; F617-H712 AromaticContact CZ-CD2 3.91Å; R708-H712 PolarHBondContact O-N 3.23Å; D709-H712 WeakPolarHBondContact CA-O 3.41Å; D709-H712 CarbonylContact O-C 3.6Å; D709-H712 VanDerWaalsContact O-C 3.25Å; H712-F714 VanDerWaalsContact O-CD1 3.28Å; H712-F714 WeakPolarHBondContact O-CD1 3.28Å; H712-F714 PolarHBondContact O-N 2.82Å |
| 713 | L | 86.7 | Confident | 88.5 | Confident | 131 Ų | 131 | 49.8 Ų | 49.8 | 69% | 0.686 | 28% | 0.276 | S | S | * | . | trans | -65.6 | 118.6 | -174.9 | -169.3 | 76.6 | 0 | 0 | 0 | 110.7 | D709 | D709-L713 WeakPolarHBondContact O-CA 3.47Å; D709-L713 PolarHBondContact O-N 3.35Å | ||
| 714 | F | 89.4 | Confident | 88.1 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | trans | -127 | -6.4 | 172.9 | 62.9 | -96 | 0 | 0 | 0 | 112.8 | F617 I625 L628 I705 D709 H712 | F617-F714 HydrophobicContact CE1-CB 4.07Å; F617-F714 AromaticContact CE1-CD1 3.51Å; F617-F714 HydrophobicContact CE1-CD1 3.51Å; F617-F714 HydrophobicContact CE1-CE1 4.16Å; F617-F714 AromaticContact CE1-CG 3.91Å; F617-F714 HydrophobicContact CE1-CG 3.91Å; F617-F714 AromaticContact CZ-CD1 3.62Å; F617-F714 HydrophobicContact CZ-CD1 3.62Å; F617-F714 HydrophobicContact CZ-CE1 4.06Å; F617-F714 HydrophobicContact CZ-CG 4.46Å; I625-F714 HydrophobicContact CG2-CB 4.13Å; I625-F714 HydrophobicContact CG2-CD2 4.15Å; L628-F714 HydrophobicContact CB-CE2 3.92Å; L628-F714 HydrophobicContact CB-CZ 4.4Å; I705-F714 HydrophobicContact CG2-CZ 4.04Å; D709-F714 HydrophobicContact CB-CD1 4.15Å; D709-F714 HydrophobicContact CB-CE1 3.59Å; D709-F714 HydrophobicContact CB-CZ 3.88Å; D709-F714 PolarHBondContact OD1-N 3.36Å; H712-F714 VanDerWaalsContact O-CD1 3.28Å; H712-F714 WeakPolarHBondContact O-CD1 3.28Å; H712-F714 PolarHBondContact O-N 2.82Å | ||
| 715 | T | 90.8 | Very high | 88 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -95.7 | 153.9 | 176.1 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | D709 F719 W720 | D709-T715 HydrophobicContact CB-CG2 4.49Å; D709-T715 WeakPolarHBondContact OD1-CB 3.39Å; D709-T715 WeakPolarHBondContact OD1-CG2 3.23Å; D709-T715 PolarHBondContact OD1-N 2.8Å; D709-T715 PolarHBondContact OD1-OG1 3.45Å; D709-T715 PolarHBondContact OD2-OG1 2.77Å; T715-F719 HydrophobicContact CG2-CD1 3.6Å; T715-F719 HydrophobicContact CG2-CE1 3.8Å; T715-F719 HydrophobicContact CG2-CG 4.08Å; T715-F719 HydrophobicContact CG2-CZ 4.41Å; T715-W720 HydrophobicContact CG2-CZ2 4.14Å |
| 716 | P | 89.1 | Confident | 87.8 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 163.2 | 175.3 | 26.4 | -32 | 0 | 0 | 0 | 112.5 | F719 | P716-F719 HydrophobicContact CG-CB 4.08Å; P716-F719 HydrophobicContact CG-CD2 3.9Å; P716-F719 HydrophobicContact CG-CG 4.37Å; P716-F719 WeakPolarHBondContact O-CB 3.39Å; P716-F719 PolarHBondContact O-N 3.28Å |
| 717 | P | 86 | Confident | 87.6 | Confident | 118 Ų | 118 | 59.8 Ų | 59.8 | 77% | 0.766 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 143.7 | 177.6 | 25.8 | -34.8 | 0 | 0 | 0 | 111.4 | F719 | P717-F719 PolarHBondContact O-N 3.08Š|
| 718 | N | 87 | Confident | 87.7 | Confident | 125 Ų | 125 | 62.7 Ų | 62.7 | 67% | 0.668 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 11.1 | -177.9 | -56.7 | -46.3 | 0 | 0 | 0 | 115.5 | W720 L721 | N718-W720 VanDerWaalsContact C-N 3.29Å; N718-W720 PolarHBondContact O-N 3.46Å; N718-L721 HydrophobicContact CB-CD1 3.81Å; N718-L721 HydrophobicContact CB-CG 4.24Å; N718-L721 WeakPolarHBondContact O-CB 3.48Å; N718-L721 PolarHBondContact O-N 3.47Å; N718-L721 VanDerWaalsContact O-N 3.14Å |
| 719 | F | 91.8 | Very high | 87.9 | Confident | 42 Ų | 42 | 64.7 Ų | 64.7 | 18% | 0.184 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -38.9 | -177.4 | 175.2 | -95.7 | 0 | 0 | 0 | 114.3 | C629 T715 P716 P717 L721 | C629-F719 HydrophobicContact CB-CE2 4.42Å; C629-F719 HydrophobicContact CB-CZ 4.42Å; C629-F719 WeakPolarHBondContact O-CZ 2.88Å; T715-F719 HydrophobicContact CG2-CD1 3.6Å; T715-F719 HydrophobicContact CG2-CE1 3.8Å; T715-F719 HydrophobicContact CG2-CG 4.08Å; T715-F719 HydrophobicContact CG2-CZ 4.41Å; P716-F719 HydrophobicContact CG-CB 4.08Å; P716-F719 HydrophobicContact CG-CD2 3.9Å; P716-F719 HydrophobicContact CG-CG 4.37Å; P716-F719 WeakPolarHBondContact O-CB 3.39Å; P716-F719 PolarHBondContact O-N 3.28Å; P717-F719 PolarHBondContact O-N 3.08Å; F719-L721 VanDerWaalsContact C-N 3.28Å; F719-L721 PolarHBondContact O-N 2.75Å |
| 720 | W | 93.7 | Very high | 88 | Confident | 21 Ų | 21 | 65 Ų | 65 | 8% | 0.08 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -6.6 | -177.2 | -61.8 | 105.6 | 0 | 0 | 0 | 114.3 | N636 L702 I705 Y706 D709 T715 N718 H750 I751 | N636-W720 HydrophobicContact CB-CE3 4.35Å; N636-W720 HydrophobicContact CB-CZ3 4.46Å; N636-W720 PolarHBondContact ND2-O 2.98Å; L702-W720 HydrophobicContact CD1-CE3 4.47Å; L702-W720 HydrophobicContact CD1-CZ3 3.69Å; I705-W720 HydrophobicContact CB-CH2 4.5Å; I705-W720 HydrophobicContact CG2-CH2 3.87Å; I705-W720 HydrophobicContact CG2-CZ2 4.47Å; Y706-W720 AromaticContact CD2-CD2 3.85Å; Y706-W720 HydrophobicContact CD2-CD2 3.85Å; Y706-W720 AromaticContact CD2-CE2 3.79Å; Y706-W720 HydrophobicContact CD2-CE3 4.29Å; Y706-W720 HydrophobicContact CD2-CG 4.16Å; Y706-W720 HydrophobicContact CD2-CZ2 4.19Å; Y706-W720 HydrophobicContact CE2-CD2 4.46Å; Y706-W720 HydrophobicContact CE2-CG 4.3Å; D709-W720 HydrophobicContact CB-CZ2 3.93Å; D709-W720 PolarHBondContact OD2-NE1 2.97Å; T715-W720 HydrophobicContact CG2-CZ2 4.14Å; N718-W720 VanDerWaalsContact C-N 3.29Å; N718-W720 PolarHBondContact O-N 3.46Å; W720-H750 HydrophobicContact CB-CB 4.37Å; W720-I751 WeakPolarHBondContact O-CA 3.33Å |
| 721 | L | 92.5 | Very high | 88.1 | Confident | 52 Ų | 52 | 64.9 Ų | 64.9 | 27% | 0.272 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -77.5 | 137.4 | -178.9 | -56.7 | -174.4 | 0 | 0 | 0 | 111.3 | N718 F719 P753 | N718-L721 HydrophobicContact CB-CD1 3.81Å; N718-L721 HydrophobicContact CB-CG 4.24Å; N718-L721 WeakPolarHBondContact O-CB 3.48Å; N718-L721 PolarHBondContact O-N 3.47Å; N718-L721 VanDerWaalsContact O-N 3.14Å; F719-L721 VanDerWaalsContact C-N 3.28Å; F719-L721 PolarHBondContact O-N 2.75Å; L721-P753 HydrophobicContact CD1-CG 4.03Å; L721-P753 HydrophobicContact CD2-CG 4.08Å |
| 722 | I | 89.2 | Confident | 88.4 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | trans | -89.1 | 114 | 179.7 | -66.2 | -66.9 | 0 | 0 | 0 | 109.3 | Y640 N724 L725 I751 | Y640-I722 HydrophobicContact CD1-CG2 3.89Å; Y640-I722 HydrophobicContact CD2-CG2 4.32Å; Y640-I722 HydrophobicContact CE1-CG2 3.86Å; Y640-I722 HydrophobicContact CE2-CG2 4.3Å; Y640-I722 HydrophobicContact CG-CD1 4.49Å; Y640-I722 HydrophobicContact CG-CG1 4.37Å; Y640-I722 HydrophobicContact CG-CG2 4.12Å; I722-N724 VanDerWaalsContact C-N 3.33Å; I722-N724 WeakPolarHBondContact CG2-OD1 3.43Å; I722-N724 PolarHBondContact O-N 2.96Å; I722-L725 HydrophobicContact CB-CB 4.06Å; I722-L725 HydrophobicContact CG2-CB 3.97Å; I722-L725 WeakPolarHBondContact O-CB 3.34Å; I722-L725 PolarHBondContact O-N 2.78Å; I722-I751 HydrophobicContact CB-CB 4.45Å; I722-I751 HydrophobicContact CD1-CG2 4.5Å; I722-I751 HydrophobicContact CG1-CB 3.79Å; I722-I751 HydrophobicContact CG1-CG2 3.64Å | ||
| 723 | S | 82.5 | Confident | 88.7 | Confident | 117 Ų | 117 | 62.2 Ų | 62.2 | 82% | 0.818 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -28.8 | -170.6 | 59.4 | 0 | 0 | 0 | 0 | 114.7 | L725 | S723-L725 VanDerWaalsContact C-N 3.35Š|
| 724 | N | 81.6 | Confident | 88.8 | Confident | 76 Ų | 76 | 56.7 Ų | 56.7 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -6 | 175.3 | 54.9 | -26 | 0 | 0 | 0 | 113.7 | E641 I722 K726 | E641-N724 PolarHBondContact OE1-ND2 2.93Å; I722-N724 VanDerWaalsContact C-N 3.33Å; I722-N724 WeakPolarHBondContact CG2-OD1 3.43Å; I722-N724 PolarHBondContact O-N 2.96Å; N724-K726 PolarHBondContact O-N 3.12Å |
| 725 | L | 87.3 | Confident | 88.7 | Confident | 22 Ų | 22 | 62.8 Ų | 62.8 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | trans | -81.1 | 111 | 179.9 | -176.1 | 65.6 | 0 | 0 | 0 | 111.3 | Y640 I722 S723 V727 F730 I751 I752 | Y640-L725 HydrophobicContact CE2-CD1 4.09Å; I722-L725 HydrophobicContact CB-CB 4.06Å; I722-L725 HydrophobicContact CG2-CB 3.97Å; I722-L725 WeakPolarHBondContact O-CB 3.34Å; I722-L725 PolarHBondContact O-N 2.78Å; S723-L725 VanDerWaalsContact C-N 3.35Å; L725-V727 PolarHBondContact O-N 3.19Å; L725-F730 HydrophobicContact CD1-CB 4.03Å; L725-F730 HydrophobicContact CD1-CD2 3.73Å; L725-F730 HydrophobicContact CD1-CG 4.05Å; L725-F730 HydrophobicContact CG-CB 4.47Å; L725-I751 HydrophobicContact CD2-CD1 4.03Å; L725-I751 HydrophobicContact CD2-CG1 3.98Å; L725-I752 HydrophobicContact CD2-CG1 4.43Å | ||
| 726 | K | 89.5 | Confident | 88.6 | Confident | 164 Ų | 164 | 70 Ų | 70 | 71% | 0.713 | 38% | 0.381 | S | S | * | . | trans | -74.5 | 91.5 | 170.3 | -67.4 | -176.7 | -179 | 179.3 | 0 | 110.4 | N724 A729 F730 | N724-K726 PolarHBondContact O-N 3.12Å; K726-A729 HydrophobicContact CB-CB 4.09Å; K726-A729 PolarHBondContact O-N 3.11Å; K726-F730 PolarHBondContact O-N 3.14Å | ||
| 727 | V | 87.4 | Confident | 88.3 | Confident | 34 Ų | 34 | 71.1 Ų | 71.1 | 21% | 0.206 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -49 | -46.5 | -176.4 | -178.8 | 0 | 0 | 0 | 0 | 113.8 | L725 A729 F730 L731 I752 E756 | L725-V727 PolarHBondContact O-N 3.19Å; V727-A729 VanDerWaalsContact C-N 3.33Å; V727-A729 PolarHBondContact O-N 2.8Å; V727-F730 WeakPolarHBondContact O-CB 3.31Å; V727-F730 PolarHBondContact O-N 2.79Å; V727-L731 HydrophobicContact CG1-CD1 4.01Å; V727-L731 HydrophobicContact CG1-CG 4.23Å; V727-L731 WeakPolarHBondContact O-CG 3.17Å; V727-L731 PolarHBondContact O-N 3.18Å; V727-I752 HydrophobicContact CG1-CG2 4.35Å; V727-E756 HydrophobicContact CG1-CG 3.98Å |
| 728 | P | 89 | Confident | 88.6 | Confident | 103 Ų | 103 | 70 Ų | 70 | 67% | 0.669 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.1 | -36.6 | 179.7 | -24 | 35.3 | 0 | 0 | 0 | 113.9 | A732 | P728-A732 PolarHBondContact O-N 3.39Å; P728-A732 VanDerWaalsContact O-N 3.1Å |
| 729 | A | 90.1 | Very high | 88.7 | Confident | 50 Ų | 50 | 66.7 Ų | 66.7 | 41% | 0.413 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.6 | -39 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | K726 V727 A732 D733 | K726-A729 HydrophobicContact CB-CB 4.09Å; K726-A729 PolarHBondContact O-N 3.11Å; V727-A729 VanDerWaalsContact C-N 3.33Å; V727-A729 PolarHBondContact O-N 2.8Å; A729-A732 PolarHBondContact O-N 3.01Å; A729-D733 PolarHBondContact O-N 3.44Å |
| 730 | F | 91.3 | Very high | 88.7 | Confident | 14 Ų | 14 | 66.9 Ų | 66.9 | 6% | 0.061 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63 | -43.7 | 175.6 | -173.3 | -92.4 | 0 | 0 | 0 | 112.3 | L725 K726 V727 A732 D733 L734 A741 L744 I752 | L725-F730 HydrophobicContact CD1-CB 4.03Å; L725-F730 HydrophobicContact CD1-CD2 3.73Å; L725-F730 HydrophobicContact CD1-CG 4.05Å; L725-F730 HydrophobicContact CG-CB 4.47Å; K726-F730 PolarHBondContact O-N 3.14Å; V727-F730 WeakPolarHBondContact O-CB 3.31Å; V727-F730 PolarHBondContact O-N 2.79Å; F730-A732 VanDerWaalsContact C-N 3.33Å; F730-A732 PolarHBondContact O-N 3.02Å; F730-D733 WeakPolarHBondContact O-CB 3.1Å; F730-D733 PolarHBondContact O-N 3.32Å; F730-D733 VanDerWaalsContact O-N 3.15Å; F730-L734 HydrophobicContact CD1-CD1 3.96Å; F730-L734 HydrophobicContact CD1-CG 4.27Å; F730-L734 HydrophobicContact CE1-CD1 3.54Å; F730-L734 HydrophobicContact CE1-CD2 4.34Å; F730-L734 HydrophobicContact CE1-CG 3.86Å; F730-L734 HydrophobicContact CZ-CD1 4.48Å; F730-L734 HydrophobicContact CZ-CG 4.46Å; F730-L734 PolarHBondContact O-N 3.28Å; F730-A741 HydrophobicContact CD2-CB 4.32Å; F730-A741 HydrophobicContact CE2-CB 3.83Å; F730-A741 HydrophobicContact CZ-CB 3.98Å; F730-A741 WeakPolarHBondContact CZ-O 3.47Å; F730-L744 HydrophobicContact CE2-CB 4.12Å; F730-L744 HydrophobicContact CE2-CD1 3.81Å; F730-L744 HydrophobicContact CZ-CB 3.96Å; F730-L744 HydrophobicContact CZ-CD1 4.49Å; F730-I752 HydrophobicContact CD1-CD1 3.64Å; F730-I752 HydrophobicContact CD1-CG1 4.26Å; F730-I752 HydrophobicContact CE1-CD1 3.22Å; F730-I752 HydrophobicContact CE1-CG1 4.12Å; F730-I752 HydrophobicContact CZ-CD1 4.14Å |
| 731 | L | 88.9 | Confident | 88.6 | Confident | 20 Ų | 20 | 66 Ų | 66 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 175.2 | -66.5 | 174.7 | 0 | 0 | 0 | 112 | V727 D733 L734 R735 E756 | V727-L731 HydrophobicContact CG1-CD1 4.01Å; V727-L731 HydrophobicContact CG1-CG 4.23Å; V727-L731 WeakPolarHBondContact O-CG 3.17Å; V727-L731 PolarHBondContact O-N 3.18Å; L731-D733 VanDerWaalsContact C-N 3.29Å; L731-D733 PolarHBondContact O-N 3.18Å; L731-L734 HydrophobicContact CD2-CD1 4.3Å; L731-L734 PolarHBondContact O-N 3.38Å; L731-R735 WeakPolarHBondContact O-CG 3.39Å; L731-R735 PolarHBondContact O-N 3.21Å; L731-R735 VanDerWaalsContact O-N 3.16Å; L731-E756 HydrophobicContact CD1-CB 4.24Å; L731-E756 HydrophobicContact CD1-CG 4.41Å; L731-E756 WeakPolarHBondContact CD1-OE2 3.36Å |
| 732 | A | 89.3 | Confident | 88.5 | Confident | 41 Ų | 41 | 66.2 Ų | 66.2 | 34% | 0.339 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.9 | -35.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | P728 A729 F730 R735 K736 | P728-A732 PolarHBondContact O-N 3.39Å; P728-A732 VanDerWaalsContact O-N 3.1Å; A729-A732 PolarHBondContact O-N 3.01Å; F730-A732 VanDerWaalsContact C-N 3.33Å; F730-A732 PolarHBondContact O-N 3.02Å; A732-R735 PolarHBondContact O-N 3.36Å; A732-K736 PolarHBondContact O-N 3.03Å |
| 733 | D | 90.4 | Very high | 88.7 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -72 | -28.4 | 176 | -76.9 | -3.2 | 0 | 0 | 0 | 113 | A729 F730 L731 K736 K738 A741 | A729-D733 PolarHBondContact O-N 3.44Å; F730-D733 WeakPolarHBondContact O-CB 3.1Å; F730-D733 PolarHBondContact O-N 3.32Å; F730-D733 VanDerWaalsContact O-N 3.15Å; L731-D733 VanDerWaalsContact C-N 3.29Å; L731-D733 PolarHBondContact O-N 3.18Å; D733-K736 CarbonylContact O-C 3.53Å; D733-K738 HydrophobicContact CB-CB 4.41Å; D733-K738 HydrophobicContact CB-CD 3.96Å; D733-K738 HydrophobicContact CB-CG 4.24Å; D733-K738 PolarHBondContact O-N 3.27Å; D733-K738 VanDerWaalsContact O-N 3.08Å; D733-K738 WeakPolarHBondContact OD1-CE 3.3Å; D733-K738 IonicContact OD1-NZ 3.52Å; D733-K738 PolarHBondContact OD1-NZ 2.9Å; D733-K738 IonicContact OD2-NZ 2.68Å; D733-K738 PolarHBondContact OD2-NZ 3.42Å; D733-K738 VanDerWaalsContact OD2-NZ 3.1Å; D733-A741 HydrophobicContact CB-CB 3.99Å |
| 734 | L | 88.8 | Confident | 89.2 | Confident | 16 Ų | 16 | 60.8 Ų | 60.8 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.7 | -38.2 | 171.2 | -76.3 | 176.1 | 0 | 0 | 0 | 112.7 | F730 L731 K736 A741 T742 L745 L760 | F730-L734 HydrophobicContact CD1-CD1 3.96Å; F730-L734 HydrophobicContact CD1-CG 4.27Å; F730-L734 HydrophobicContact CE1-CD1 3.54Å; F730-L734 HydrophobicContact CE1-CD2 4.34Å; F730-L734 HydrophobicContact CE1-CG 3.86Å; F730-L734 HydrophobicContact CZ-CD1 4.48Å; F730-L734 HydrophobicContact CZ-CG 4.46Å; F730-L734 PolarHBondContact O-N 3.28Å; L731-L734 HydrophobicContact CD2-CD1 4.3Å; L731-L734 PolarHBondContact O-N 3.38Å; L734-K736 PolarHBondContact O-N 3.38Å; L734-A741 HydrophobicContact CD2-CB 3.7Å; L734-A741 WeakPolarHBondContact CD2-O 3.24Å; L734-A741 HydrophobicContact CG-CB 3.99Å; L734-T742 HydrophobicContact CD2-CG2 4.46Å; L734-L745 HydrophobicContact CD1-CD1 4.46Å; L734-L745 HydrophobicContact CD1-CD2 4.02Å; L734-L745 HydrophobicContact CD2-CB 4.04Å; L734-L745 HydrophobicContact CD2-CD2 3.82Å; L734-L760 HydrophobicContact CD1-CD1 4.46Å; L734-L760 HydrophobicContact CD1-CD2 3.76Å |
| 735 | R | 86.1 | Confident | 89.7 | Confident | 158 Ų | 158 | 58.3 Ų | 58.3 | 60% | 0.596 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.5 | -28.4 | 174.8 | -68.2 | 176.3 | -173.2 | 144.1 | 2.3 | 112.7 | L731 A732 P737 D763 | L731-R735 WeakPolarHBondContact O-CG 3.39Å; L731-R735 PolarHBondContact O-N 3.21Å; L731-R735 VanDerWaalsContact O-N 3.16Å; A732-R735 PolarHBondContact O-N 3.36Å; R735-P737 WeakPolarHBondContact O-CD 3.29Å; R735-D763 IonicContact NH2-OD2 2.86Å |
| 736 | K | 88.1 | Confident | 89.9 | Confident | 161 Ų | 161 | 64.4 Ų | 64.4 | 70% | 0.7 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 71.5 | 171.7 | -68.1 | -175.7 | 179.6 | -178.7 | 0 | 109 | A732 D733 L734 K738 | A732-K736 PolarHBondContact O-N 3.03Å; D733-K736 CarbonylContact O-C 3.53Å; L734-K736 PolarHBondContact O-N 3.38Å; K736-K738 WeakPolarHBondContact O-CA 3.24Å; K736-K738 WeakPolarHBondContact O-CG 3.4Å; K736-K738 PolarHBondContact O-N 3.13Å |
| 737 | P | 84 | Confident | 89.9 | Confident | 99 Ų | 99 | 58.8 Ų | 58.8 | 64% | 0.643 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.9 | 78.1 | -153.3 | 21.5 | -36.4 | 0 | 0 | 0 | 114.5 | R735 T742 | R735-P737 WeakPolarHBondContact O-CD 3.29Å; P737-T742 HydrophobicContact CB-CG2 3.93Å |
| 738 | K | 91.2 | Very high | 90.2 | Very high | 94 Ų | 94 | 57.2 Ų | 57.2 | 41% | 0.409 | 30% | 0.3 | S | S | . | . | trans | -75.1 | 139.7 | -176.8 | -70.3 | -164.6 | -172.3 | 161.5 | 0 | 108.1 | D733 K736 H740 A741 T742 | D733-K738 HydrophobicContact CB-CB 4.41Å; D733-K738 HydrophobicContact CB-CD 3.96Å; D733-K738 HydrophobicContact CB-CG 4.24Å; D733-K738 PolarHBondContact O-N 3.27Å; D733-K738 VanDerWaalsContact O-N 3.08Å; D733-K738 WeakPolarHBondContact OD1-CE 3.3Å; D733-K738 IonicContact OD1-NZ 3.52Å; D733-K738 PolarHBondContact OD1-NZ 2.9Å; D733-K738 IonicContact OD2-NZ 2.68Å; D733-K738 PolarHBondContact OD2-NZ 3.42Å; D733-K738 VanDerWaalsContact OD2-NZ 3.1Å; K736-K738 WeakPolarHBondContact O-CA 3.24Å; K736-K738 WeakPolarHBondContact O-CG 3.4Å; K736-K738 PolarHBondContact O-N 3.13Å; K738-H740 VanDerWaalsContact C-N 3.27Å; K738-H740 PolarHBondContact O-N 3.28Å; K738-A741 HydrophobicContact CB-CB 4.47Å; K738-A741 PolarHBondContact O-N 2.92Å; K738-A741 VanDerWaalsContact O-N 3.08Å; K738-T742 PolarHBondContact O-N 3.44Å; K738-T742 PolarHBondContact O-OG1 3.35Å | ||
| 739 | P | 90.1 | Very high | 90.5 | Very high | 57 Ų | 57 | 52.9 Ų | 52.9 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.4 | -37.7 | -172.4 | 23.2 | -34.5 | 0 | 0 | 0 | 112.9 | P649 T742 F743 | P649-P739 HydrophobicContact CG-CB 4.1Å; P649-P739 WeakPolarHBondContact CG-O 3.39Å; P739-T742 WeakPolarHBondContact CA-OG1 3.31Å; P739-T742 PolarHBondContact O-OG1 3.21Å; P739-T742 VanDerWaalsContact O-OG1 3.07Å; P739-F743 WeakPolarHBondContact O-CB 3.44Å; P739-F743 PolarHBondContact O-N 3.03Å |
| 740 | H | 91.4 | Very high | 90.7 | Very high | 46 Ų | 46 | 51 Ų | 51 | 21% | 0.213 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 175.3 | -76.6 | -66.9 | 0 | 0 | 0 | 113.2 | V643 V646 P647 K738 F743 L744 | V643-H740 PolarHBondContact O-CE1 3.36Å; V643-H740 VanDerWaalsContact O-CE1 3.24Å; V643-H740 PolarHBondContact O-ND1 3.05Å; V646-H740 PolarHBondContact O-CE1 2.67Å; V646-H740 PolarHBondContact O-NE2 3.42Å; P647-H740 PolarHBondContact O-NE2 3.47Å; P647-H740 VanDerWaalsContact O-NE2 3.07Å; K738-H740 VanDerWaalsContact C-N 3.27Å; K738-H740 PolarHBondContact O-N 3.28Å; H740-F743 PolarHBondContact O-N 3.29Å; H740-L744 WeakPolarHBondContact O-CB 3.26Å; H740-L744 VanDerWaalsContact O-CG 3.27Å; H740-L744 WeakPolarHBondContact O-CG 3.45Å; H740-L744 PolarHBondContact O-N 3.36Å |
| 741 | A | 91.7 | Very high | 90.8 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.1 | -43 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F730 D733 L734 K738 L744 L745 | F730-A741 HydrophobicContact CD2-CB 4.32Å; F730-A741 HydrophobicContact CE2-CB 3.83Å; F730-A741 HydrophobicContact CZ-CB 3.98Å; F730-A741 WeakPolarHBondContact CZ-O 3.47Å; D733-A741 HydrophobicContact CB-CB 3.99Å; L734-A741 HydrophobicContact CD2-CB 3.7Å; L734-A741 WeakPolarHBondContact CD2-O 3.24Å; L734-A741 HydrophobicContact CG-CB 3.99Å; K738-A741 HydrophobicContact CB-CB 4.47Å; K738-A741 PolarHBondContact O-N 2.92Å; K738-A741 VanDerWaalsContact O-N 3.08Å; A741-L744 PolarHBondContact O-N 3.12Å; A741-L745 WeakPolarHBondContact O-CB 3.18Å; A741-L745 PolarHBondContact O-N 3.35Å |
| 742 | T | 91.7 | Very high | 91 | Very high | 55 Ų | 55 | 49.5 Ų | 49.5 | 34% | 0.337 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.2 | -38.2 | 178.1 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | L734 P737 K738 P739 K746 | L734-T742 HydrophobicContact CD2-CG2 4.46Å; P737-T742 HydrophobicContact CB-CG2 3.93Å; K738-T742 PolarHBondContact O-N 3.44Å; K738-T742 PolarHBondContact O-OG1 3.35Å; P739-T742 WeakPolarHBondContact CA-OG1 3.31Å; P739-T742 PolarHBondContact O-OG1 3.21Å; P739-T742 VanDerWaalsContact O-OG1 3.07Å; T742-K746 WeakPolarHBondContact O-CB 3.42Å; T742-K746 PolarHBondContact O-N 3.36Å; T742-K746 VanDerWaalsContact O-N 3.08Å |
| 743 | F | 92.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.6 | -47.4 | 174.8 | -172.8 | -80.8 | 0 | 0 | 0 | 112 | V643 P649 L652 L654 F695 P739 H740 K746 H747 | V643-F743 HydrophobicContact CG1-CD1 4Å; V643-F743 HydrophobicContact CG1-CE1 4.49Å; V643-F743 HydrophobicContact CG2-CD1 3.81Å; V643-F743 HydrophobicContact CG2-CE1 3.53Å; P649-F743 HydrophobicContact CB-CB 3.93Å; P649-F743 HydrophobicContact CB-CD1 4.19Å; P649-F743 HydrophobicContact CB-CD2 3.78Å; P649-F743 HydrophobicContact CB-CE2 4.26Å; P649-F743 HydrophobicContact CB-CG 3.72Å; P649-F743 HydrophobicContact CG-CB 3.87Å; P649-F743 HydrophobicContact CG-CD2 4.27Å; P649-F743 HydrophobicContact CG-CG 4.18Å; P649-F743 WeakPolarHBondContact O-CE2 3.48Å; L652-F743 HydrophobicContact CB-CZ 4.29Å; L652-F743 HydrophobicContact CD1-CE1 4.23Å; L652-F743 HydrophobicContact CD1-CZ 3.94Å; L654-F743 HydrophobicContact CD1-CD2 4.37Å; L654-F743 HydrophobicContact CD1-CE2 3.33Å; L654-F743 HydrophobicContact CD1-CZ 3.55Å; L654-F743 HydrophobicContact CG-CE2 4.36Å; L654-F743 HydrophobicContact CG-CZ 4.24Å; F695-F743 HydrophobicContact CE1-CE1 4.1Å; F695-F743 AromaticContact CE1-CZ 3.85Å; F695-F743 HydrophobicContact CE1-CZ 3.85Å; F695-F743 AromaticContact CZ-CE1 3.91Å; F695-F743 HydrophobicContact CZ-CE1 3.91Å; F695-F743 HydrophobicContact CZ-CZ 4.1Å; P739-F743 WeakPolarHBondContact O-CB 3.44Å; P739-F743 PolarHBondContact O-N 3.03Å; H740-F743 PolarHBondContact O-N 3.29Å; F743-K746 PolarHBondContact O-N 2.96Å; F743-H747 AromaticContact CD1-CD2 3.96Å; F743-H747 AromaticContact CE1-CD2 3.82Å; F743-H747 AromaticContact CE2-CD2 3.99Å; F743-H747 AromaticContact CZ-CD2 3.85Å; F743-H747 PolarHBondContact O-CD2 3.42Å; F743-H747 PolarHBondContact O-N 2.88Å; F743-H747 VanDerWaalsContact O-N 3.07Å |
| 744 | L | 93.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 179.4 | -71.9 | 169.9 | 0 | 0 | 0 | 111.8 | Y640 V643 I644 F730 H740 A741 K746 H747 I748 I751 | Y640-L744 HydrophobicContact CD2-CD1 4.25Å; Y640-L744 HydrophobicContact CD2-CD2 4.21Å; Y640-L744 HydrophobicContact CE2-CD1 4.13Å; V643-L744 HydrophobicContact CB-CD2 3.99Å; V643-L744 HydrophobicContact CG1-CD1 4.4Å; V643-L744 HydrophobicContact CG1-CD2 3.85Å; V643-L744 HydrophobicContact CG1-CG 3.93Å; V643-L744 HydrophobicContact CG2-CD2 4.14Å; I644-L744 HydrophobicContact CD1-CD1 4.22Å; F730-L744 HydrophobicContact CE2-CB 4.12Å; F730-L744 HydrophobicContact CE2-CD1 3.81Å; F730-L744 HydrophobicContact CZ-CB 3.96Å; F730-L744 HydrophobicContact CZ-CD1 4.49Å; H740-L744 WeakPolarHBondContact O-CB 3.26Å; H740-L744 VanDerWaalsContact O-CG 3.27Å; H740-L744 WeakPolarHBondContact O-CG 3.45Å; H740-L744 PolarHBondContact O-N 3.36Å; A741-L744 PolarHBondContact O-N 3.12Å; L744-K746 VanDerWaalsContact C-N 3.26Å; L744-K746 PolarHBondContact O-N 3.32Å; L744-H747 PolarHBondContact O-N 3.24Å; L744-I748 HydrophobicContact CD2-CD1 3.65Å; L744-I748 HydrophobicContact CD2-CG1 3.87Å; L744-I748 CarbonylContact O-C 3.54Å; L744-I748 VanDerWaalsContact O-C 3.27Å; L744-I748 WeakPolarHBondContact O-CA 3.14Å; L744-I748 PolarHBondContact O-N 3.14Å; L744-I751 HydrophobicContact CB-CD1 4.27Å; L744-I751 HydrophobicContact CD2-CD1 4.39Å |
| 745 | L | 92.7 | Very high | 91.2 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.2 | -37.5 | 175.9 | -178.3 | 67.4 | 0 | 0 | 0 | 111.9 | L734 A741 P749 I752 L760 M1019 | L734-L745 HydrophobicContact CD1-CD1 4.46Å; L734-L745 HydrophobicContact CD1-CD2 4.02Å; L734-L745 HydrophobicContact CD2-CB 4.04Å; L734-L745 HydrophobicContact CD2-CD2 3.82Å; A741-L745 WeakPolarHBondContact O-CB 3.18Å; A741-L745 PolarHBondContact O-N 3.35Å; L745-P749 HydrophobicContact CD1-CB 4.42Å; L745-P749 WeakPolarHBondContact O-CB 3.11Å; L745-P749 WeakPolarHBondContact O-CD 3.32Å; L745-I752 HydrophobicContact CD1-CD1 4.21Å; L745-L760 HydrophobicContact CD1-CD2 4Å; L745-L760 HydrophobicContact CD2-CD2 3.67Å; L745-M1019 HydrophobicContact CD1-CB 4.2Å; L745-M1019 HydrophobicContact CD1-SD 4.17Å |
| 746 | K | 90.7 | Very high | 91.5 | Very high | 151 Ų | 151 | 48.9 Ų | 48.9 | 66% | 0.657 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -71.4 | -38.1 | -179.7 | -176.4 | 176 | -179.1 | 175.5 | 0 | 113.4 | T742 F743 L744 | T742-K746 WeakPolarHBondContact O-CB 3.42Å; T742-K746 PolarHBondContact O-N 3.36Å; T742-K746 VanDerWaalsContact O-N 3.08Å; F743-K746 PolarHBondContact O-N 2.96Å; L744-K746 VanDerWaalsContact C-N 3.26Å; L744-K746 PolarHBondContact O-N 3.32Å |
| 747 | H | 90.6 | Very high | 91.7 | Very high | 46 Ų | 46 | 41.6 Ų | 41.6 | 21% | 0.213 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -105.3 | -33 | -169.4 | -71.3 | -65.8 | 0 | 0 | 0 | 114.7 | L654 L699 F743 L744 | L654-H747 WeakPolarHBondContact CD1-NE2 3.23Å; L699-H747 HydrophobicContact CD1-CB 4.35Å; L699-H747 HydrophobicContact CD2-CB 4.15Å; F743-H747 AromaticContact CD1-CD2 3.96Å; F743-H747 AromaticContact CE1-CD2 3.82Å; F743-H747 AromaticContact CE2-CD2 3.99Å; F743-H747 AromaticContact CZ-CD2 3.85Å; F743-H747 PolarHBondContact O-CD2 3.42Å; F743-H747 PolarHBondContact O-N 2.88Å; F743-H747 VanDerWaalsContact O-N 3.07Å; L744-H747 PolarHBondContact O-N 3.24Å |
| 748 | I | 93.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | trans | -137.5 | 57.8 | 179.7 | 54.6 | 169 | 0 | 0 | 0 | 111.8 | I639 L699 L702 L744 H750 I751 | I639-I748 HydrophobicContact CG2-CD1 3.91Å; I639-I748 HydrophobicContact CG2-CG2 4.11Å; L699-I748 HydrophobicContact CD1-CG2 3.89Å; L702-I748 HydrophobicContact CD2-CG2 3.62Å; L744-I748 HydrophobicContact CD2-CD1 3.65Å; L744-I748 HydrophobicContact CD2-CG1 3.87Å; L744-I748 CarbonylContact O-C 3.54Å; L744-I748 VanDerWaalsContact O-C 3.27Å; L744-I748 WeakPolarHBondContact O-CA 3.14Å; L744-I748 PolarHBondContact O-N 3.14Å; I748-H750 PolarHBondContact O-N 3.41Å; I748-H750 VanDerWaalsContact O-N 3.1Å; I748-I751 HydrophobicContact CB-CG2 4.26Å; I748-I751 HydrophobicContact CD1-CD1 4.11Å; I748-I751 HydrophobicContact CD1-CG2 3.9Å; I748-I751 HydrophobicContact CG1-CD1 4.19Å; I748-I751 HydrophobicContact CG1-CG2 4.25Å; I748-I751 WeakPolarHBondContact O-CG1 3.32Å; I748-I751 PolarHBondContact O-N 2.64Å | ||
| 749 | P | 93.9 | Very high | 92.1 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 7% | 0.071 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -59.5 | -24.4 | -178 | 23.8 | -34.7 | 0 | 0 | 0 | 114.1 | L745 I751 I752 R757 M1019 | L745-P749 HydrophobicContact CD1-CB 4.42Å; L745-P749 WeakPolarHBondContact O-CB 3.11Å; L745-P749 WeakPolarHBondContact O-CD 3.32Å; P749-I751 PolarHBondContact O-N 2.9Å; P749-I751 VanDerWaalsContact O-N 3.16Å; P749-I752 PolarHBondContact O-N 3.48Å; P749-I752 VanDerWaalsContact O-N 3.15Å; P749-R757 WeakPolarHBondContact O-CD 3.28Å; P749-R757 PolarHBondContact O-NE 3.33Å; P749-M1019 HydrophobicContact CB-CB 3.75Å; P749-M1019 HydrophobicContact CG-CB 4.36Å |
| 750 | H | 94.2 | Very high | 92.1 | Very high | 11 Ų | 11 | 32.6 Ų | 32.6 | 5% | 0.051 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -66.3 | -11.8 | -178.2 | 52.7 | -102.7 | 0 | 0 | 0 | 114.7 | N636 Y706 W720 I748 I752 | N636-H750 PolarHBondContact OD1-NE2 2.9Å; Y706-H750 AromaticContact CD1-ND1 3.76Å; Y706-H750 HydrophobicContact CD2-CB 3.92Å; Y706-H750 AromaticContact CD2-CG 3.67Å; Y706-H750 AromaticContact CD2-ND1 3.68Å; Y706-H750 HydrophobicContact CE1-CB 4.3Å; Y706-H750 AromaticContact CE1-ND1 3.87Å; Y706-H750 HydrophobicContact CE2-CB 3.26Å; Y706-H750 AromaticContact CE2-CG 3.56Å; Y706-H750 AromaticContact CE2-ND1 3.8Å; Y706-H750 AromaticContact CG-CE1 3.98Å; Y706-H750 AromaticContact CG-ND1 3.66Å; Y706-H750 VanDerWaalsContact CZ-CB 3.48Å; Y706-H750 AromaticContact CZ-CG 3.94Å; Y706-H750 AromaticContact CZ-ND1 3.9Å; W720-H750 HydrophobicContact CB-CB 4.37Å; I748-H750 PolarHBondContact O-N 3.41Å; I748-H750 VanDerWaalsContact O-N 3.1Å; H750-I752 PolarHBondContact O-N 3.46Å |
| 751 | I | 94.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -68.2 | -12.4 | 172.4 | 72 | -177 | 0 | 0 | 0 | 112.9 | N636 Y640 W720 I722 L725 L744 I748 P749 | N636-I751 WeakPolarHBondContact OD1-CG2 3.44Å; Y640-I751 HydrophobicContact CD2-CD1 4.18Å; W720-I751 WeakPolarHBondContact O-CA 3.33Å; I722-I751 HydrophobicContact CB-CB 4.45Å; I722-I751 HydrophobicContact CD1-CG2 4.5Å; I722-I751 HydrophobicContact CG1-CB 3.79Å; I722-I751 HydrophobicContact CG1-CG2 3.64Å; L725-I751 HydrophobicContact CD2-CD1 4.03Å; L725-I751 HydrophobicContact CD2-CG1 3.98Å; L744-I751 HydrophobicContact CB-CD1 4.27Å; L744-I751 HydrophobicContact CD2-CD1 4.39Å; I748-I751 HydrophobicContact CB-CG2 4.26Å; I748-I751 HydrophobicContact CD1-CD1 4.11Å; I748-I751 HydrophobicContact CD1-CG2 3.9Å; I748-I751 HydrophobicContact CG1-CD1 4.19Å; I748-I751 HydrophobicContact CG1-CG2 4.25Å; I748-I751 WeakPolarHBondContact O-CG1 3.32Å; I748-I751 PolarHBondContact O-N 2.64Å; P749-I751 PolarHBondContact O-N 2.9Å; P749-I751 VanDerWaalsContact O-N 3.16Å |
| 752 | I | 91.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -109.8 | 136.9 | 179.1 | -50.7 | 168.6 | 0 | 0 | 0 | 108.8 | L725 V727 F730 L745 P749 H750 H754 E756 R757 | L725-I752 HydrophobicContact CD2-CG1 4.43Å; V727-I752 HydrophobicContact CG1-CG2 4.35Å; F730-I752 HydrophobicContact CD1-CD1 3.64Å; F730-I752 HydrophobicContact CD1-CG1 4.26Å; F730-I752 HydrophobicContact CE1-CD1 3.22Å; F730-I752 HydrophobicContact CE1-CG1 4.12Å; F730-I752 HydrophobicContact CZ-CD1 4.14Å; L745-I752 HydrophobicContact CD1-CD1 4.21Å; P749-I752 PolarHBondContact O-N 3.48Å; P749-I752 VanDerWaalsContact O-N 3.15Å; H750-I752 PolarHBondContact O-N 3.46Å; I752-H754 PolarHBondContact O-N 3.09Å; I752-E756 HydrophobicContact CG2-CB 3.76Å; I752-R757 HydrophobicContact CB-CG 4.26Å; I752-R757 HydrophobicContact CG2-CG 4.29Å; I752-R757 PolarHBondContact O-NE 3.23Å; I752-R757 VanDerWaalsContact O-NE 3.13Å |
| 753 | P | 92.2 | Very high | 92.2 | Very high | 40 Ų | 40 | 30.7 Ų | 30.7 | 26% | 0.26 | 14% | 0.144 | S | C | . | . | trans | -53 | 140.5 | 175.9 | -25.6 | 33.8 | 0 | 0 | 0 | 112.6 | L721 K755 E756 R757 | L721-P753 HydrophobicContact CD1-CG 4.03Å; L721-P753 HydrophobicContact CD2-CG 4.08Å; P753-K755 PolarHBondContact O-N 2.94Å; P753-E756 HydrophobicContact CB-CG 4.3Å; P753-E756 HydrophobicContact CG-CG 4.47Å; P753-E756 PolarHBondContact O-N 3Å; P753-R757 PolarHBondContact O-N 3.02Å | ||
| 754 | H | 91.2 | Very high | 92.2 | Very high | 46 Ų | 46 | 32.7 Ų | 32.7 | 21% | 0.213 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -48.6 | -44.9 | 177.2 | 178.6 | 101.8 | 0 | 0 | 0 | 112.5 | I752 E756 R757 V758 E1024 | I752-H754 PolarHBondContact O-N 3.09Å; H754-E756 VanDerWaalsContact C-N 3.28Å; H754-E756 PolarHBondContact O-N 2.83Å; H754-R757 PolarHBondContact O-N 3.37Å; H754-R757 VanDerWaalsContact O-N 3.1Å; H754-V758 VanDerWaalsContact NE2-CG2 3.34Å; H754-V758 WeakPolarHBondContact NE2-CG2 3.45Å; H754-V758 WeakPolarHBondContact O-CG2 3.38Å; H754-V758 PolarHBondContact O-N 2.92Å; H754-E1024 IonicContact CE1-OE1 2.8Å; H754-E1024 IonicContact CG-OE1 3.36Å; H754-E1024 VanDerWaalsContact ND1-CD 3.29Å; H754-E1024 VanDerWaalsContact ND1-CG 3.27Å; H754-E1024 WeakPolarHBondContact ND1-CG 3.11Å; H754-E1024 IonicContact ND1-OE1 3.85Å; H754-E1024 PolarHBondContact ND1-OE1 3.21Å |
| 755 | K | 90.2 | Very high | 92.1 | Very high | 115 Ų | 115 | 32.8 Ų | 32.8 | 50% | 0.5 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -52.4 | -45 | 178.5 | 172.8 | 167.9 | -177.8 | -179.3 | 0 | 112.9 | P753 V758 I759 L1090 | P753-K755 PolarHBondContact O-N 2.94Å; K755-V758 PolarHBondContact O-N 3.44Å; K755-I759 HydrophobicContact CG-CD1 4.25Å; K755-I759 WeakPolarHBondContact O-CG1 3.49Å; K755-I759 PolarHBondContact O-N 3.06Å; K755-I759 VanDerWaalsContact O-N 3.11Å; K755-L1090 HydrophobicContact CB-CD2 3.91Å; K755-L1090 HydrophobicContact CD-CD2 4.28Å; K755-L1090 HydrophobicContact CG-CD1 3.98Å; K755-L1090 HydrophobicContact CG-CD2 3.72Å; K755-L1090 HydrophobicContact CG-CG 4.41Å |
| 756 | E | 91.4 | Very high | 91.9 | Very high | 53 Ų | 53 | 38 Ų | 38 | 25% | 0.248 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73.1 | -33.2 | -178.3 | -58.9 | -58.8 | 151.7 | 0 | 0 | 111.7 | V727 L731 I752 P753 H754 I759 L760 | V727-E756 HydrophobicContact CG1-CG 3.98Å; L731-E756 HydrophobicContact CD1-CB 4.24Å; L731-E756 HydrophobicContact CD1-CG 4.41Å; L731-E756 WeakPolarHBondContact CD1-OE2 3.36Å; I752-E756 HydrophobicContact CG2-CB 3.76Å; P753-E756 HydrophobicContact CB-CG 4.3Å; P753-E756 HydrophobicContact CG-CG 4.47Å; P753-E756 PolarHBondContact O-N 3Å; H754-E756 VanDerWaalsContact C-N 3.28Å; H754-E756 PolarHBondContact O-N 2.83Å; E756-I759 PolarHBondContact O-N 3.36Å; E756-L760 WeakPolarHBondContact O-CB 3.24Å; E756-L760 PolarHBondContact O-N 2.97Å |
| 757 | R | 93.4 | Very high | 91.9 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67 | -36.5 | 173 | -71.8 | -174.1 | -79.4 | 117 | 1.6 | 112.4 | P749 I752 P753 H754 L760 F761 M1019 F1020 E1024 | P749-R757 WeakPolarHBondContact O-CD 3.28Å; P749-R757 PolarHBondContact O-NE 3.33Å; I752-R757 HydrophobicContact CB-CG 4.26Å; I752-R757 HydrophobicContact CG2-CG 4.29Å; I752-R757 PolarHBondContact O-NE 3.23Å; I752-R757 VanDerWaalsContact O-NE 3.13Å; P753-R757 PolarHBondContact O-N 3.02Å; H754-R757 PolarHBondContact O-N 3.37Å; H754-R757 VanDerWaalsContact O-N 3.1Å; R757-L760 PolarHBondContact O-N 3.39Å; R757-F761 PolarHBondContact O-N 3.13Å; R757-M1019 HydrophobicContact CB-SD 3.89Å; R757-M1019 HydrophobicContact CG-SD 4.12Å; R757-M1019 PolarHBondContact NH1-O 2.94Å; R757-M1019 WeakPolarHBondContact O-CE 3.38Å; R757-F1020 HydrophobicContact CB-CE1 3.82Å; R757-F1020 HydrophobicContact CB-CZ 4.32Å; R757-E1024 IonicContact CZ-OE1 3.35Å; R757-E1024 IonicContact CZ-OE2 3.17Å; R757-E1024 VanDerWaalsContact NH1-CD 3.33Å; R757-E1024 IonicContact NH1-OE1 2.77Å; R757-E1024 PolarHBondContact NH1-OE1 3.44Å; R757-E1024 IonicContact NH1-OE2 2.7Å; R757-E1024 PolarHBondContact NH1-OE2 2.98Å; R757-E1024 IonicContact NH2-OE1 2.97Å; R757-E1024 PolarHBondContact NH2-OE1 3.23Å; R757-E1024 IonicContact NH2-OE2 2.98Å |
| 758 | V | 92.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.4 | -42 | 171.9 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | H754 K755 L760 F761 R762 F1020 L1089 L1090 | H754-V758 VanDerWaalsContact NE2-CG2 3.34Å; H754-V758 WeakPolarHBondContact NE2-CG2 3.45Å; H754-V758 WeakPolarHBondContact O-CG2 3.38Å; H754-V758 PolarHBondContact O-N 2.92Å; K755-V758 PolarHBondContact O-N 3.44Å; V758-L760 VanDerWaalsContact C-N 3.34Å; V758-F761 WeakPolarHBondContact O-CB 3.33Å; V758-F761 PolarHBondContact O-N 2.95Å; V758-R762 WeakPolarHBondContact O-CG 3.41Å; V758-R762 PolarHBondContact O-N 3.41Å; V758-F1020 HydrophobicContact CG2-CE1 3.99Å; V758-F1020 HydrophobicContact CG2-CZ 4.33Å; V758-L1089 HydrophobicContact CB-CD2 4.41Å; V758-L1089 HydrophobicContact CG1-CD2 3.66Å; V758-L1089 HydrophobicContact CG1-CG 4.24Å; V758-L1089 HydrophobicContact CG2-CD2 3.82Å; V758-L1090 HydrophobicContact CB-CD1 4.16Å; V758-L1090 HydrophobicContact CG1-CD1 3.83Å; V758-L1090 HydrophobicContact CG1-CG 4.18Å |
| 759 | I | 90.8 | Very high | 91.6 | Very high | 50 Ų | 50 | 37.4 Ų | 37.4 | 26% | 0.256 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 175 | -67.1 | 165.4 | 0 | 0 | 0 | 110.2 | K755 E756 F761 R762 D763 L1090 | K755-I759 HydrophobicContact CG-CD1 4.25Å; K755-I759 WeakPolarHBondContact O-CG1 3.49Å; K755-I759 PolarHBondContact O-N 3.06Å; K755-I759 VanDerWaalsContact O-N 3.11Å; E756-I759 PolarHBondContact O-N 3.36Å; I759-F761 VanDerWaalsContact C-N 3.34Å; I759-F761 PolarHBondContact O-N 2.96Å; I759-R762 WeakPolarHBondContact O-CB 3.38Å; I759-R762 PolarHBondContact O-N 3.45Å; I759-D763 PolarHBondContact O-N 3.33Å; I759-L1090 HydrophobicContact CD1-CD1 4.35Å; I759-L1090 HydrophobicContact CG1-CD1 3.84Å |
| 760 | L | 91.6 | Very high | 91.2 | Very high | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.6 | -41.8 | 176.8 | -174.3 | 67.8 | 0 | 0 | 0 | 112.2 | L734 L745 E756 R757 V758 R762 D763 F764 M1019 | L734-L760 HydrophobicContact CD1-CD1 4.46Å; L734-L760 HydrophobicContact CD1-CD2 3.76Å; L745-L760 HydrophobicContact CD1-CD2 4Å; L745-L760 HydrophobicContact CD2-CD2 3.67Å; E756-L760 WeakPolarHBondContact O-CB 3.24Å; E756-L760 PolarHBondContact O-N 2.97Å; R757-L760 PolarHBondContact O-N 3.39Å; V758-L760 VanDerWaalsContact C-N 3.34Å; L760-R762 VanDerWaalsContact C-N 3.35Å; L760-R762 PolarHBondContact O-N 2.93Å; L760-D763 PolarHBondContact O-N 2.83Å; L760-F764 HydrophobicContact CD1-CE1 4.02Å; L760-F764 HydrophobicContact CD1-CE2 4.25Å; L760-F764 HydrophobicContact CD1-CZ 3.73Å; L760-F764 HydrophobicContact CD2-CE2 3.98Å; L760-F764 HydrophobicContact CD2-CZ 3.93Å; L760-F764 HydrophobicContact CG-CD2 4.35Å; L760-F764 HydrophobicContact CG-CE1 4.32Å; L760-F764 HydrophobicContact CG-CE2 3.65Å; L760-F764 HydrophobicContact CG-CZ 3.62Å; L760-F764 WeakPolarHBondContact O-CD2 3.34Å; L760-F764 WeakPolarHBondContact O-CG 3.12Å; L760-F764 PolarHBondContact O-N 3.4Å; L760-M1019 HydrophobicContact CD2-SD 4.07Å |
| 761 | F | 93.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.9 | -47.1 | 173.6 | 172.9 | -100.2 | 0 | 0 | 0 | 111.6 | R757 V758 I759 D763 F764 V765 V891 L1012 W1016 L1017 M1019 F1020 L1028 | R757-F761 PolarHBondContact O-N 3.13Å; V758-F761 WeakPolarHBondContact O-CB 3.33Å; V758-F761 PolarHBondContact O-N 2.95Å; I759-F761 VanDerWaalsContact C-N 3.34Å; I759-F761 PolarHBondContact O-N 2.96Å; F761-D763 VanDerWaalsContact C-N 3.3Å; F761-D763 PolarHBondContact O-N 2.99Å; F761-F764 PolarHBondContact O-N 2.83Å; F761-V765 HydrophobicContact CD1-CG2 4.42Å; F761-V765 HydrophobicContact CE1-CG2 3.89Å; F761-V765 HydrophobicContact CE2-CG2 4.08Å; F761-V765 HydrophobicContact CZ-CG2 3.68Å; F761-V765 WeakPolarHBondContact O-CG2 3.3Å; F761-V765 PolarHBondContact O-N 3.34Å; F761-V891 HydrophobicContact CE1-CG1 4.1Å; F761-V891 HydrophobicContact CZ-CG1 3.75Å; F761-L1012 HydrophobicContact CE2-CD2 4.35Å; F761-L1012 HydrophobicContact CZ-CD2 4.05Å; F761-W1016 HydrophobicContact CD2-CB 3.94Å; F761-W1016 HydrophobicContact CE2-CB 4.1Å; F761-W1016 HydrophobicContact CE2-CE3 4.39Å; F761-L1017 HydrophobicContact CD2-CD2 4.19Å; F761-L1017 HydrophobicContact CE2-CD2 3.71Å; F761-L1017 HydrophobicContact CZ-CD2 4.42Å; F761-M1019 HydrophobicContact CB-CE 3.62Å; F761-M1019 HydrophobicContact CD2-CE 4.49Å; F761-F1020 HydrophobicContact CB-CE2 4.05Å; F761-F1020 HydrophobicContact CB-CZ 3.91Å; F761-F1020 HydrophobicContact CD2-CE2 4.19Å; F761-F1020 HydrophobicContact CG-CE2 4.21Å; F761-F1020 HydrophobicContact CG-CZ 4.45Å; F761-L1028 HydrophobicContact CD1-CD1 4.14Å; F761-L1028 HydrophobicContact CD1-CD2 4.36Å; F761-L1028 HydrophobicContact CE1-CD1 4.27Å; F761-L1028 HydrophobicContact CE1-CD2 4.22Å; F761-L1028 HydrophobicContact CZ-CD2 4.33Å |
| 762 | R | 91.3 | Very high | 90.4 | Very high | 42 Ų | 42 | 45.1 Ų | 45.1 | 16% | 0.158 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.7 | -37.1 | 177.3 | -72.1 | 177.9 | 173.1 | 165.8 | 2.7 | 112.1 | V758 I759 L760 V765 R766 L1089 | V758-R762 WeakPolarHBondContact O-CG 3.41Å; V758-R762 PolarHBondContact O-N 3.41Å; I759-R762 WeakPolarHBondContact O-CB 3.38Å; I759-R762 PolarHBondContact O-N 3.45Å; L760-R762 VanDerWaalsContact C-N 3.35Å; L760-R762 PolarHBondContact O-N 2.93Å; R762-V765 PolarHBondContact O-N 3.35Å; R762-R766 WeakPolarHBondContact O-CB 2.9Å; R762-R766 PolarHBondContact O-N 3.29Å; R762-L1089 PolarHBondContact NH1-O 2.94Å; R762-L1089 PolarHBondContact NH2-O 2.82Å |
| 763 | D | 90.6 | Very high | 89.7 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 12% | 0.118 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 175 | -73.1 | -13.2 | 0 | 0 | 0 | 110.9 | R735 I759 L760 F761 V765 R766 E767 | R735-D763 IonicContact NH2-OD2 2.86Å; I759-D763 PolarHBondContact O-N 3.33Å; L760-D763 PolarHBondContact O-N 2.83Å; F761-D763 VanDerWaalsContact C-N 3.3Å; F761-D763 PolarHBondContact O-N 2.99Å; D763-V765 PolarHBondContact O-N 3.41Å; D763-R766 WeakPolarHBondContact O-CB 3.04Å; D763-R766 PolarHBondContact O-N 3.03Å; D763-R766 VanDerWaalsContact O-N 3.16Å; D763-R766 IonicContact OD1-CZ 3.47Å; D763-R766 IonicContact OD1-NH1 3.42Å; D763-R766 PolarHBondContact OD1-NH1 2.99Å; D763-R766 IonicContact OD1-NH2 3.69Å; D763-R766 PolarHBondContact OD1-NH2 3.27Å; D763-E767 WeakPolarHBondContact O-CG 3.27Å; D763-E767 PolarHBondContact O-N 3Å |
| 764 | F | 92.3 | Very high | 88.6 | Confident | 50 Ų | 50 | 46.7 Ų | 46.7 | 22% | 0.219 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 175.4 | -64.1 | -34.2 | 0 | 0 | 0 | 113 | L760 F761 R766 E767 D768 W1016 M1019 | L760-F764 HydrophobicContact CD1-CE1 4.02Å; L760-F764 HydrophobicContact CD1-CE2 4.25Å; L760-F764 HydrophobicContact CD1-CZ 3.73Å; L760-F764 HydrophobicContact CD2-CE2 3.98Å; L760-F764 HydrophobicContact CD2-CZ 3.93Å; L760-F764 HydrophobicContact CG-CD2 4.35Å; L760-F764 HydrophobicContact CG-CE1 4.32Å; L760-F764 HydrophobicContact CG-CE2 3.65Å; L760-F764 HydrophobicContact CG-CZ 3.62Å; L760-F764 WeakPolarHBondContact O-CD2 3.34Å; L760-F764 WeakPolarHBondContact O-CG 3.12Å; L760-F764 PolarHBondContact O-N 3.4Å; F761-F764 PolarHBondContact O-N 2.83Å; F764-R766 VanDerWaalsContact C-N 3.31Å; F764-R766 PolarHBondContact O-N 2.88Å; F764-E767 PolarHBondContact O-N 2.78Å; F764-D768 PolarHBondContact O-N 3.31Å; F764-W1016 HydrophobicContact CB-CD2 4.18Å; F764-W1016 HydrophobicContact CB-CG 4.21Å; F764-W1016 HydrophobicContact CD2-CB 4.4Å; F764-W1016 AromaticContact CD2-CD1 3.59Å; F764-W1016 HydrophobicContact CD2-CG 4.06Å; F764-W1016 AromaticContact CG-CD1 3.93Å; F764-W1016 HydrophobicContact CG-CG 4.49Å; F764-M1019 HydrophobicContact CD2-CE 4.43Å; F764-M1019 HydrophobicContact CE2-CE 4.29Å |
| 765 | V | 91.8 | Very high | 87.3 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 175 | 168.8 | 0 | 0 | 0 | 0 | 111 | F761 R762 D763 D768 K769 Y892 W1016 | F761-V765 HydrophobicContact CD1-CG2 4.42Å; F761-V765 HydrophobicContact CE1-CG2 3.89Å; F761-V765 HydrophobicContact CE2-CG2 4.08Å; F761-V765 HydrophobicContact CZ-CG2 3.68Å; F761-V765 WeakPolarHBondContact O-CG2 3.3Å; F761-V765 PolarHBondContact O-N 3.34Å; R762-V765 PolarHBondContact O-N 3.35Å; D763-V765 PolarHBondContact O-N 3.41Å; V765-D768 PolarHBondContact O-N 3.42Å; V765-K769 HydrophobicContact CG1-CD 4.33Å; V765-K769 WeakPolarHBondContact O-CG 3.28Å; V765-K769 PolarHBondContact O-N 3.09Å; V765-Y892 HydrophobicContact CG1-CD2 3.89Å; V765-Y892 HydrophobicContact CG1-CE2 3.94Å; V765-Y892 HydrophobicContact CG1-CG 4.23Å; V765-Y892 VanDerWaalsContact CG1-O 3.22Å; V765-Y892 WeakPolarHBondContact CG1-O 3.29Å; V765-Y892 HydrophobicContact CG2-CD2 4.19Å; V765-W1016 HydrophobicContact CG2-CE3 4.37Å; V765-W1016 HydrophobicContact CG2-CZ3 4.3Å |
| 766 | R | 88.8 | Confident | 85.7 | Confident | 133 Ų | 133 | 49.4 Ų | 49.4 | 50% | 0.502 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 177.3 | -168 | -170.1 | -58.2 | 121.4 | 6.2 | 111.7 | R762 D763 F764 K769 A770 | R762-R766 WeakPolarHBondContact O-CB 2.9Å; R762-R766 PolarHBondContact O-N 3.29Å; D763-R766 WeakPolarHBondContact O-CB 3.04Å; D763-R766 PolarHBondContact O-N 3.03Å; D763-R766 VanDerWaalsContact O-N 3.16Å; D763-R766 IonicContact OD1-CZ 3.47Å; D763-R766 IonicContact OD1-NH1 3.42Å; D763-R766 PolarHBondContact OD1-NH1 2.99Å; D763-R766 IonicContact OD1-NH2 3.69Å; D763-R766 PolarHBondContact OD1-NH2 3.27Å; F764-R766 VanDerWaalsContact C-N 3.31Å; F764-R766 PolarHBondContact O-N 2.88Å; R766-K769 PolarHBondContact O-N 3.37Å; R766-A770 WeakPolarHBondContact O-CB 3.5Å; R766-A770 PolarHBondContact O-N 3.29Å |
| 767 | E | 89.4 | Confident | 83.7 | Confident | 124 Ų | 124 | 56.3 Ų | 56.3 | 58% | 0.579 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.8 | -41.7 | 175.6 | -72.9 | 174.3 | -176.4 | 0 | 0 | 111.7 | D763 F764 A770 S771 | D763-E767 WeakPolarHBondContact O-CG 3.27Å; D763-E767 PolarHBondContact O-N 3Å; F764-E767 PolarHBondContact O-N 2.78Å; E767-A770 PolarHBondContact O-N 3.46Å; E767-S771 PolarHBondContact O-N 2.77Å |
| 768 | D | 90.9 | Very high | 81.3 | Confident | 27 Ų | 27 | 61.9 Ų | 61.9 | 14% | 0.144 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 174.9 | -172.4 | 78.1 | 0 | 0 | 0 | 111.3 | F764 V765 A770 S771 L772 R813 Y892 W1016 | F764-D768 PolarHBondContact O-N 3.31Å; V765-D768 PolarHBondContact O-N 3.42Å; D768-A770 VanDerWaalsContact C-N 3.34Å; D768-A770 PolarHBondContact O-N 3.22Å; D768-S771 WeakPolarHBondContact O-CB 3.43Å; D768-S771 PolarHBondContact O-N 3.31Å; D768-S771 VanDerWaalsContact O-N 3.12Å; D768-S771 PolarHBondContact O-OG 3.42Å; D768-L772 PolarHBondContact O-N 3.09Å; D768-R813 IonicContact OD1-NH1 3.3Å; D768-Y892 HydrophobicContact CB-CE2 4.42Å; D768-Y892 VanDerWaalsContact OD2-CE2 3.3Å; D768-Y892 WeakPolarHBondContact OD2-CE2 3.37Å; D768-Y892 PolarHBondContact OD2-OH 2.69Å; D768-W1016 HydrophobicContact CB-CH2 3.73Å; D768-W1016 HydrophobicContact CB-CZ2 4.17Å |
| 769 | K | 88.3 | Confident | 78.8 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 173.2 | -74.6 | -178 | -175.9 | 177.9 | 0 | 112.1 | V765 R766 S771 L772 G773 I774 Y892 E893 | V765-K769 HydrophobicContact CG1-CD 4.33Å; V765-K769 WeakPolarHBondContact O-CG 3.28Å; V765-K769 PolarHBondContact O-N 3.09Å; R766-K769 PolarHBondContact O-N 3.37Å; K769-S771 VanDerWaalsContact C-N 3.29Å; K769-S771 PolarHBondContact O-N 3.45Å; K769-L772 CarbonylContact O-C 3.2Å; K769-L772 PolarHBondContact O-N 3.17Å; K769-L772 VanDerWaalsContact O-N 3.1Å; K769-G773 PolarHBondContact O-N 3.45Å; K769-I774 CarbonylContact C-O 3.53Å; K769-I774 HydrophobicContact CB-CB 4.21Å; K769-I774 WeakPolarHBondContact O-CB 3.29Å; K769-I774 PolarHBondContact O-N 3.26Å; K769-Y892 HydrophobicContact CD-CE1 4.14Å; K769-Y892 WeakPolarHBondContact CE-O 3.38Å; K769-Y892 HydrophobicContact CG-CE1 3.71Å; K769-Y892 VanDerWaalsContact CG-OH 3.28Å; K769-Y892 WeakPolarHBondContact CG-OH 3.49Å; K769-Y892 PolarHBondContact N-OH 2.96Å; K769-Y892 PolarHBondContact NZ-O 3.37Å; K769-E893 IonicContact NZ-OE1 3.73Å; K769-E893 IonicContact NZ-OE2 2.73Å; K769-E893 PolarHBondContact NZ-OE2 2.73Å |
| 770 | A | 86.1 | Confident | 76.8 | Confident | 44 Ų | 44 | 70.7 Ų | 70.7 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -36.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | R766 E767 D768 L772 G773 | R766-A770 WeakPolarHBondContact O-CB 3.5Å; R766-A770 PolarHBondContact O-N 3.29Å; E767-A770 PolarHBondContact O-N 3.46Å; D768-A770 VanDerWaalsContact C-N 3.34Å; D768-A770 PolarHBondContact O-N 3.22Å; A770-L772 PolarHBondContact O-N 3Å; A770-G773 PolarHBondContact O-N 3.19Å |
| 771 | S | 86.4 | Confident | 74.6 | Confident | 90 Ų | 90 | 78.3 Ų | 78.3 | 63% | 0.629 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -65.1 | -26.7 | 175.1 | 83.3 | 0 | 0 | 0 | 0 | 113.2 | E767 D768 K769 G773 | E767-S771 PolarHBondContact O-N 2.77Å; D768-S771 WeakPolarHBondContact O-CB 3.43Å; D768-S771 PolarHBondContact O-N 3.31Å; D768-S771 VanDerWaalsContact O-N 3.12Å; D768-S771 PolarHBondContact O-OG 3.42Å; K769-S771 VanDerWaalsContact C-N 3.29Å; K769-S771 PolarHBondContact O-N 3.45Å; S771-G773 VanDerWaalsContact C-N 3.29Å |
| 772 | L | 84.4 | Confident | 72.4 | Confident | 53 Ų | 53 | 83.2 Ų | 83.2 | 28% | 0.277 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 4.7 | 173.5 | -62 | 172.2 | 0 | 0 | 0 | 113.1 | D768 K769 A770 I774 R813 | D768-L772 PolarHBondContact O-N 3.09Å; K769-L772 CarbonylContact O-C 3.2Å; K769-L772 PolarHBondContact O-N 3.17Å; K769-L772 VanDerWaalsContact O-N 3.1Å; A770-L772 PolarHBondContact O-N 3Å; L772-I774 VanDerWaalsContact C-N 3.32Å; L772-I774 HydrophobicContact CB-CD1 4.11Å; L772-I774 HydrophobicContact CB-CG1 4.37Å; L772-R813 HydrophobicContact CD1-CB 3.55Å |
| 773 | G | 76.1 | Confident | 70.4 | Confident | 34 Ų | 34 | 83.8 Ų | 83.8 | 35% | 0.351 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 11.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K769 A770 S771 H775 | K769-G773 PolarHBondContact O-N 3.45Å; A770-G773 PolarHBondContact O-N 3.19Å; S771-G773 VanDerWaalsContact C-N 3.29Å; G773-H775 PolarHBondContact O-N 3.04Å |
| 774 | I | 70.6 | Confident | 68.7 | Low | 39 Ų | 39 | 90.6 Ų | 90.6 | 20% | 0.2 | 47% | 0.471 | C | S | . | . | trans | -90.6 | 95.3 | 178.7 | -56.2 | 163.4 | 0 | 0 | 0 | 107.4 | K769 L772 M814 | K769-I774 CarbonylContact C-O 3.53Å; K769-I774 HydrophobicContact CB-CB 4.21Å; K769-I774 WeakPolarHBondContact O-CB 3.29Å; K769-I774 PolarHBondContact O-N 3.26Å; L772-I774 VanDerWaalsContact C-N 3.32Å; L772-I774 HydrophobicContact CB-CD1 4.11Å; L772-I774 HydrophobicContact CB-CG1 4.37Å; I774-M814 HydrophobicContact CD1-CB 4.35Å; I774-M814 HydrophobicContact CD1-CG 4.4Å | ||
| 775 | H | 63.9 | Low | 67.2 | Low | 121 Ų | 121 | 89.8 Ų | 89.8 | 56% | 0.56 | 48% | 0.477 | S | S | * | . | trans | -90 | 128.3 | 174.4 | -62.8 | -52.4 | 0 | 0 | 0 | 110.5 | G773 R777 | G773-H775 PolarHBondContact O-N 3.04Å; H775-R777 VanDerWaalsContact C-N 3.27Å; H775-R777 HydrophobicContact CB-CG 4.15Å; H775-R777 PolarHBondContact O-N 3.14Å | ||
| 776 | T | 55.8 | Low | 66 | Low | 97 Ų | 97 | 92.7 Ų | 92.7 | 60% | 0.595 | 50% | 0.496 | S | S | * | . | trans | -65.4 | 85.9 | 166.8 | -35.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 777 | R | 49.5 | Very low | 65 | Low | 199 Ų | 199 | 88.5 Ų | 88.5 | 75% | 0.751 | 49% | 0.485 | S | S | * | . | trans | -90.5 | 143.7 | -177 | -85.3 | -172.5 | 170.8 | 178.6 | -0.2 | 111.6 | H775 N779 | H775-R777 VanDerWaalsContact C-N 3.27Å; H775-R777 HydrophobicContact CB-CG 4.15Å; H775-R777 PolarHBondContact O-N 3.14Å; R777-N779 VanDerWaalsContact C-N 3.32Å; R777-N779 PolarHBondContact O-N 3.45Å | ||
| 778 | T | 43.4 | Very low | 64.1 | Low | 125 Ų | 125 | 83.3 Ų | 83.3 | 77% | 0.767 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -76.2 | -9.2 | 178.3 | 44.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 779 | N | 40.1 | Very low | 63.6 | Low | 123 Ų | 123 | 82.8 Ų | 82.8 | 66% | 0.658 | 46% | 0.464 | S | S | * | . | trans | -103.9 | 94.3 | -178.2 | -107.7 | 20.5 | 0 | 0 | 0 | 111.2 | R777 L781 | R777-N779 VanDerWaalsContact C-N 3.32Å; R777-N779 PolarHBondContact O-N 3.45Å; N779-L781 VanDerWaalsContact C-N 3.3Å; N779-L781 PolarHBondContact O-N 2.65Å | ||
| 780 | W | 48.7 | Very low | 63.3 | Low | 111 Ų | 111 | 85.5 Ų | 85.5 | 42% | 0.42 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -11.2 | -173.1 | -59.2 | 74.7 | 0 | 0 | 0 | 114.9 | P1097 F1144 | W780-P1097 HydrophobicContact CH2-CB 3.58Å; W780-P1097 HydrophobicContact CH2-CG 3.8Å; W780-P1097 HydrophobicContact CZ2-CB 4.06Å; W780-P1097 HydrophobicContact CZ3-CB 4.19Å; W780-P1097 HydrophobicContact CZ3-CG 3.98Å; W780-F1144 HydrophobicContact CE3-CD1 4.41Å; W780-F1144 HydrophobicContact CE3-CE1 4.15Å |
| 781 | L | 44.3 | Very low | 63.1 | Low | 171 Ų | 171 | 83.5 Ų | 83.5 | 90% | 0.895 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -10.8 | -168.2 | -80.8 | 153.4 | 0 | 0 | 0 | 115 | N779 | N779-L781 VanDerWaalsContact C-N 3.3Å; N779-L781 PolarHBondContact O-N 2.65Å |
| 782 | T | 47.2 | Very low | 62.9 | Low | 104 Ų | 104 | 81.4 Ų | 81.4 | 64% | 0.638 | 45% | 0.45 | S | S | * | . | trans | -135 | 85.6 | -175.6 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | D784 | T782-D784 PolarHBondContact O-N 3.5Š| ||
| 783 | D | 50.2 | Low | 62.7 | Low | 54 Ų | 54 | 79.2 Ų | 79.2 | 29% | 0.289 | 44% | 0.439 | S | S | . | . | trans | -89.6 | 70.7 | -172.4 | -164.1 | 21.6 | 0 | 0 | 0 | 113.2 | G785 K815 R817 L833 | D783-G785 VanDerWaalsContact C-N 3.34Å; D783-K815 IonicContact OD1-NZ 3.03Å; D783-K815 PolarHBondContact OD1-NZ 3.02Å; D783-K815 IonicContact OD2-NZ 3.39Å; D783-K815 PolarHBondContact OD2-NZ 3.19Å; D783-R817 PolarHBondContact O-NH2 3.02Å; D783-R817 IonicContact OD1-NH2 3.25Å; D783-R817 IonicContact OD2-CZ 2.84Å; D783-R817 IonicContact OD2-NE 2.73Å; D783-R817 IonicContact OD2-NH2 3.44Å; D783-R817 PolarHBondContact OD2-NH2 2.88Å; D783-L833 HydrophobicContact CB-CD2 4.38Å | ||
| 784 | D | 55.3 | Low | 62.9 | Low | 164 Ų | 164 | 81 Ų | 81 | 88% | 0.877 | 44% | 0.438 | S | S | * | . | trans | -94.2 | 19.8 | 170.3 | -76.7 | -16.5 | 0 | 0 | 0 | 112.7 | T782 | T782-D784 PolarHBondContact O-N 3.5Š| ||
| 785 | G | 60.8 | Low | 63.1 | Low | 34 Ų | 34 | 81.7 Ų | 81.7 | 35% | 0.351 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -62.2 | 148.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | D783 V787 | D783-G785 VanDerWaalsContact C-N 3.34Å; G785-V787 PolarHBondContact O-N 2.85Å |
| 786 | P | 65.7 | Low | 63.5 | Low | 64 Ų | 64 | 80.9 Ų | 80.9 | 42% | 0.416 | 44% | 0.438 | S | S | . | . | trans | -63.8 | 108.3 | 179 | 26.6 | -33.5 | 0 | 0 | 0 | 110.2 | M814 | P786-M814 HydrophobicContact CB-CE 3.75Å; P786-M814 HydrophobicContact CG-CE 4.33Å | ||
| 787 | V | 68.2 | Low | 64 | Low | 46 Ų | 46 | 84.9 Ų | 84.9 | 28% | 0.279 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 124.1 | 174.2 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | G785 A789 V790 R817 | G785-V787 PolarHBondContact O-N 2.85Å; V787-A789 VanDerWaalsContact CG1-O 3.25Å; V787-A789 WeakPolarHBondContact CG1-O 3.49Å; V787-V790 HydrophobicContact CG1-CG2 4.07Å; V787-R817 HydrophobicContact CG1-CB 4.43Å; V787-R817 HydrophobicContact CG1-CG 4.05Å; V787-R817 HydrophobicContact CG2-CG 4.38Å; V787-R817 VanDerWaalsContact CG2-CZ 3.47Å |
| 788 | G | 70.2 | Confident | 64.5 | Low | 15 Ų | 15 | 79 Ų | 79 | 16% | 0.155 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -35.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K815 | G788-K815 PolarHBondContact N-O 2.87Å |
| 789 | A | 80.3 | Confident | 65.5 | Low | 15 Ų | 15 | 74.8 Ų | 74.8 | 12% | 0.124 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 150.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V787 L807 I816 R817 | V787-A789 VanDerWaalsContact CG1-O 3.25Å; V787-A789 WeakPolarHBondContact CG1-O 3.49Å; A789-L807 HydrophobicContact CB-CD1 3.59Å; A789-L807 HydrophobicContact CB-CD2 3.79Å; A789-L807 HydrophobicContact CB-CG 4.36Å; A789-I816 WeakPolarHBondContact O-CA 3.42Å; A789-R817 PolarHBondContact O-N 3.06Å |
| 790 | V | 81.7 | Confident | 66.7 | Low | 92 Ų | 92 | 69 Ų | 69 | 56% | 0.558 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.9 | 164.3 | -176.4 | 0 | 0 | 0 | 0 | 106.7 | V787 R817 | V787-V790 HydrophobicContact CG1-CG2 4.07Å; V790-R817 CarbonylContact C-O 3.5Å; V790-R817 WeakPolarHBondContact CA-O 3.39Å; V790-R817 HydrophobicContact CG2-CB 4.32Å |
| 791 | I | 82.5 | Confident | 67.7 | Low | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.015 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.8 | 179.2 | 56.6 | 172.2 | 0 | 0 | 0 | 110.8 | V793 Q803 L804 I816 R817 V818 Q819 F840 | I791-V793 HydrophobicContact CD1-CG2 4.42Å; I791-Q803 VanDerWaalsContact CA-OE1 3.28Å; I791-Q803 HydrophobicContact CB-CB 4.46Å; I791-Q803 HydrophobicContact CG2-CB 3.85Å; I791-L804 HydrophobicContact CD1-CD1 4.19Å; I791-L804 HydrophobicContact CD1-CD2 3.84Å; I791-L804 HydrophobicContact CD1-CG 3.9Å; I791-L804 HydrophobicContact CG2-CD2 4.33Å; I791-I816 HydrophobicContact CD1-CG2 3.92Å; I791-I816 HydrophobicContact CG1-CG2 3.95Å; I791-R817 WeakPolarHBondContact CG1-O 3.49Å; I791-R817 PolarHBondContact N-O 3.32Å; I791-V818 HydrophobicContact CD1-CG2 3.8Å; I791-V818 HydrophobicContact CG1-CB 4.24Å; I791-V818 HydrophobicContact CG1-CG1 4.29Å; I791-V818 HydrophobicContact CG1-CG2 3.77Å; I791-V818 CarbonylContact O-C 3.25Å; I791-V818 WeakPolarHBondContact O-CA 3.47Å; I791-Q819 PolarHBondContact O-N 3.44Å; I791-F840 HydrophobicContact CD1-CD1 4.17Å; I791-F840 HydrophobicContact CD1-CE1 3.75Å; I791-F840 HydrophobicContact CD1-CZ 4.17Å |
| 792 | T | 82.7 | Confident | 69.1 | Low | 45 Ų | 45 | 65.3 Ų | 65.3 | 28% | 0.276 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126.2 | 175.8 | -53.4 | 0 | 0 | 0 | 0 | 108.8 | Q803 Q819 V821 | T792-Q803 PolarHBondContact O-NE2 3.26Å; T792-Q819 CarbonylContact C-O 3.54Å; T792-Q819 WeakPolarHBondContact CA-O 3.34Å; T792-V821 HydrophobicContact CG2-CG2 3.58Å |
| 793 | V | 80.7 | Confident | 70.6 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 120.1 | -174 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | I791 V818 Q819 F820 V821 F840 | I791-V793 HydrophobicContact CD1-CG2 4.42Å; V793-V818 HydrophobicContact CB-CG1 4.35Å; V793-V818 HydrophobicContact CG2-CG1 3.81Å; V793-Q819 PolarHBondContact N-O 2.83Å; V793-F820 HydrophobicContact CB-CD1 3.95Å; V793-F820 HydrophobicContact CB-CE1 4.03Å; V793-F820 HydrophobicContact CG1-CD1 4.04Å; V793-F820 HydrophobicContact CG1-CE1 3.81Å; V793-F820 CarbonylContact O-C 3.56Å; V793-F820 VanDerWaalsContact O-CA 3.29Å; V793-F820 WeakPolarHBondContact O-CA 3.31Å; V793-V821 PolarHBondContact O-N 3.48Å; V793-F840 HydrophobicContact CB-CD2 4.33Å; V793-F840 HydrophobicContact CB-CE2 4.32Å; V793-F840 HydrophobicContact CG1-CD2 3.95Å; V793-F840 HydrophobicContact CG1-CE2 3.84Å; V793-F840 HydrophobicContact CG2-CD2 3.8Å; V793-F840 HydrophobicContact CG2-CE2 3.57Å; V793-F840 HydrophobicContact CG2-CZ 4.17Å |
| 794 | H | 79.6 | Confident | 72.1 | Confident | 73 Ų | 73 | 61.2 Ų | 61.2 | 34% | 0.338 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 127.9 | 174.9 | -70.5 | -101.4 | 0 | 0 | 0 | 110.2 | N796 R797 D799 V821 | H794-N796 PolarHBondContact O-N 3.28Å; H794-R797 HydrophobicContact CB-CB 4.36Å; H794-R797 CarbonylContact O-C 3.42Å; H794-R797 PolarHBondContact O-N 3.11Å; H794-D799 IonicContact CD2-OD2 3.28Å; H794-D799 PolarHBondContact CD2-OD2 2.94Å; H794-D799 IonicContact CG-OD2 3.63Å; H794-D799 PolarHBondContact N-OD1 3.23Å; H794-D799 VanDerWaalsContact N-OD1 3.13Å; H794-V821 CarbonylContact C-O 3.57Å; H794-V821 WeakPolarHBondContact CA-O 3.14Å; H794-V821 WeakPolarHBondContact ND1-CG1 3.27Å |
| 795 | R | 74.8 | Confident | 73.2 | Confident | 52 Ų | 52 | 55 Ų | 55 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -30.9 | -179.7 | -74.5 | -150.8 | -177 | -110.1 | -5.2 | 113.3 | F820 V821 E828 E839 G1171 | R795-F820 HydrophobicContact CG-CD1 4.2Å; R795-V821 PolarHBondContact N-O 3.37Å; R795-E828 VanDerWaalsContact CD-OE1 3.27Å; R795-E828 WeakPolarHBondContact CD-OE1 3.42Å; R795-E828 WeakPolarHBondContact CG-OE1 3.39Å; R795-E828 IonicContact CZ-OE1 3.24Å; R795-E828 IonicContact CZ-OE2 3.95Å; R795-E828 IonicContact NE-OE1 3.7Å; R795-E828 PolarHBondContact NE-OE1 2.88Å; R795-E828 IonicContact NE-OE2 3Å; R795-E828 PolarHBondContact NE-OE2 3.5Å; R795-E828 IonicContact NH2-OE1 2.73Å; R795-E828 IonicContact NH2-OE2 3.3Å; R795-E828 PolarHBondContact NH2-OE2 2.83Å; R795-E839 IonicContact CZ-OE1 3.08Å; R795-E839 IonicContact NH1-OE1 2.66Å; R795-E839 PolarHBondContact NH1-OE1 3.03Å; R795-E839 IonicContact NH2-OE1 3.53Å; R795-E839 PolarHBondContact NH2-OE1 2.94Å; R795-G1171 VanDerWaalsContact NH2-CA 3.28Å |
| 796 | N | 71.2 | Confident | 74.3 | Confident | 105 Ų | 105 | 59.9 Ų | 59.9 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -14.1 | 177.4 | -67.9 | -8.7 | 0 | 0 | 0 | 114.6 | H794 E823 | H794-N796 PolarHBondContact O-N 3.28Å; N796-E823 WeakPolarHBondContact ND2-CA 3.33Å; N796-E823 PolarHBondContact ND2-O 2.98Å; N796-E823 WeakPolarHBondContact OD1-CG 3.36Å |
| 797 | R | 68.1 | Low | 75.3 | Confident | 180 Ų | 180 | 58 Ų | 58 | 68% | 0.679 | 30% | 0.295 | S | S | * | . | trans | -140.6 | 134.5 | -174.9 | -64.1 | -177.6 | 179.8 | 177.3 | 0.6 | 110.9 | H794 D799 | H794-R797 HydrophobicContact CB-CB 4.36Å; H794-R797 CarbonylContact O-C 3.42Å; H794-R797 PolarHBondContact O-N 3.11Å; R797-D799 HydrophobicContact CB-CB 4.36Å; R797-D799 PolarHBondContact O-N 2.76Å | ||
| 798 | I | 59.6 | Low | 76.1 | Confident | 75 Ų | 75 | 59.4 Ų | 59.4 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | trans | -81.3 | 54.7 | 170.2 | -45.6 | 176.7 | 0 | 0 | 0 | 109.3 | G800 Y801 R847 | I798-G800 VanDerWaalsContact C-N 3.31Å; I798-Y801 WeakPolarHBondContact O-CB 3.44Å; I798-R847 HydrophobicContact CD1-CB 4.37Å | ||
| 799 | D | 64.7 | Low | 76.9 | Confident | 38 Ų | 38 | 60 Ų | 60 | 20% | 0.203 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -20.2 | 178.7 | 49.4 | 12.1 | 0 | 0 | 0 | 113.2 | H794 R797 Y801 Q802 | H794-D799 IonicContact CD2-OD2 3.28Å; H794-D799 PolarHBondContact CD2-OD2 2.94Å; H794-D799 IonicContact CG-OD2 3.63Å; H794-D799 PolarHBondContact N-OD1 3.23Å; H794-D799 VanDerWaalsContact N-OD1 3.13Å; R797-D799 HydrophobicContact CB-CB 4.36Å; R797-D799 PolarHBondContact O-N 2.76Å; D799-Y801 PolarHBondContact O-N 2.83Å; D799-Q802 PolarHBondContact O-N 2.91Å; D799-Q802 VanDerWaalsContact O-N 3.08Å |
| 800 | G | 64 | Low | 77.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -51.9 | -25.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I798 Q802 Q803 L804 | I798-G800 VanDerWaalsContact C-N 3.31Å; G800-Q802 PolarHBondContact O-N 3.2Å; G800-Q803 PolarHBondContact O-N 3.35Å; G800-L804 WeakPolarHBondContact O-CB 3.18Å; G800-L804 WeakPolarHBondContact O-CG 3.21Å; G800-L804 PolarHBondContact O-N 2.79Å |
| 801 | Y | 69.5 | Low | 77.3 | Confident | 69 Ų | 69 | 61.8 Ų | 61.8 | 27% | 0.271 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -53.7 | -50.4 | 173.6 | 169.9 | -100 | 0 | 0 | 0 | 112.5 | I798 D799 Q803 L804 A805 L879 F882 | I798-Y801 WeakPolarHBondContact O-CB 3.44Å; D799-Y801 PolarHBondContact O-N 2.83Å; Y801-Q803 PolarHBondContact O-N 2.84Å; Y801-L804 PolarHBondContact O-N 3.47Å; Y801-A805 WeakPolarHBondContact O-CB 3.47Å; Y801-A805 PolarHBondContact O-N 2.93Å; Y801-L879 HydrophobicContact CE2-CD2 3.73Å; Y801-L879 WeakPolarHBondContact OH-CD2 3.3Å; Y801-F882 AromaticContact CD2-CD1 3.56Å; Y801-F882 HydrophobicContact CD2-CD1 3.56Å; Y801-F882 HydrophobicContact CD2-CD2 4.27Å; Y801-F882 AromaticContact CD2-CE1 3.44Å; Y801-F882 HydrophobicContact CD2-CE1 3.44Å; Y801-F882 VanDerWaalsContact CD2-CE1 3.44Å; Y801-F882 HydrophobicContact CD2-CE2 4.16Å; Y801-F882 AromaticContact CD2-CG 3.97Å; Y801-F882 HydrophobicContact CD2-CG 3.97Å; Y801-F882 AromaticContact CD2-CZ 3.75Å; Y801-F882 HydrophobicContact CD2-CZ 3.75Å; Y801-F882 HydrophobicContact CE2-CB 4.04Å; Y801-F882 AromaticContact CE2-CD1 3.49Å; Y801-F882 HydrophobicContact CE2-CD1 3.49Å; Y801-F882 VanDerWaalsContact CE2-CD1 3.49Å; Y801-F882 HydrophobicContact CE2-CD2 4.06Å; Y801-F882 AromaticContact CE2-CE1 3.9Å; Y801-F882 HydrophobicContact CE2-CE1 3.9Å; Y801-F882 HydrophobicContact CE2-CE2 4.41Å; Y801-F882 AromaticContact CE2-CG 3.57Å; Y801-F882 HydrophobicContact CE2-CG 3.57Å; Y801-F882 HydrophobicContact CE2-CZ 4.33Å |
| 802 | Q | 73.6 | Confident | 77.6 | Confident | 136 Ų | 136 | 61.7 Ų | 61.7 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -68.6 | -38 | -175.5 | -67.5 | -177.3 | -12.4 | 0 | 0 | 111.4 | D799 G800 N806 | D799-Q802 PolarHBondContact O-N 2.91Å; D799-Q802 VanDerWaalsContact O-N 3.08Å; G800-Q802 PolarHBondContact O-N 3.2Å; Q802-N806 VanDerWaalsContact O-CG 3.32Å; Q802-N806 PolarHBondContact O-N 3.34Å; Q802-N806 PolarHBondContact O-ND2 3.03Å |
| 803 | Q | 78.5 | Confident | 77.9 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 33% | 0.327 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 178.9 | -66.2 | 178.5 | 46.8 | 0 | 0 | 111.3 | I791 T792 G800 Y801 | I791-Q803 VanDerWaalsContact CA-OE1 3.28Å; I791-Q803 HydrophobicContact CB-CB 4.46Å; I791-Q803 HydrophobicContact CG2-CB 3.85Å; T792-Q803 PolarHBondContact O-NE2 3.26Å; G800-Q803 PolarHBondContact O-N 3.35Å; Y801-Q803 PolarHBondContact O-N 2.84Å |
| 804 | L | 81.7 | Confident | 78.1 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.6 | -36.5 | 177.3 | -75.7 | 176.8 | 0 | 0 | 0 | 113.6 | I791 G800 Y801 N806 L807 L812 I816 F840 F882 M886 | I791-L804 HydrophobicContact CD1-CD1 4.19Å; I791-L804 HydrophobicContact CD1-CD2 3.84Å; I791-L804 HydrophobicContact CD1-CG 3.9Å; I791-L804 HydrophobicContact CG2-CD2 4.33Å; G800-L804 WeakPolarHBondContact O-CB 3.18Å; G800-L804 WeakPolarHBondContact O-CG 3.21Å; G800-L804 PolarHBondContact O-N 2.79Å; Y801-L804 PolarHBondContact O-N 3.47Å; L804-N806 PolarHBondContact O-N 2.98Å; L804-L807 HydrophobicContact CD2-CD1 3.81Å; L804-L807 WeakPolarHBondContact O-CB 3.15Å; L804-L807 PolarHBondContact O-N 3.19Å; L804-L807 VanDerWaalsContact O-N 3.12Å; L804-L812 HydrophobicContact CD2-CD2 4.1Å; L804-I816 HydrophobicContact CD2-CD1 3.97Å; L804-I816 HydrophobicContact CD2-CG2 4.36Å; L804-F840 HydrophobicContact CD1-CE1 3.48Å; L804-F840 VanDerWaalsContact CD1-CE1 3.48Å; L804-F840 HydrophobicContact CD1-CZ 3.75Å; L804-F882 HydrophobicContact CB-CE2 3.67Å; L804-F882 HydrophobicContact CB-CZ 3.99Å; L804-F882 HydrophobicContact CD1-CZ 4.19Å; L804-M886 HydrophobicContact CB-CE 4.46Å; L804-M886 HydrophobicContact CD1-CE 4.34Å; L804-M886 HydrophobicContact CD1-SD 3.6Å |
| 805 | A | 80 | Confident | 78.2 | Confident | 35 Ų | 35 | 62.3 Ų | 62.3 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.3 | -29.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y801 L807 F882 | Y801-A805 WeakPolarHBondContact O-CB 3.47Å; Y801-A805 PolarHBondContact O-N 2.93Å; A805-L807 VanDerWaalsContact C-N 3.31Å; A805-F882 HydrophobicContact CB-CD2 3.98Å; A805-F882 HydrophobicContact CB-CE2 4.18Å |
| 806 | N | 83.8 | Confident | 78.6 | Confident | 136 Ų | 136 | 60 Ų | 60 | 73% | 0.727 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -11 | 177.2 | -70.9 | -22 | 0 | 0 | 0 | 113.9 | Q802 L804 | Q802-N806 VanDerWaalsContact O-CG 3.32Å; Q802-N806 PolarHBondContact O-N 3.34Å; Q802-N806 PolarHBondContact O-ND2 3.03Å; L804-N806 PolarHBondContact O-N 2.98Å |
| 807 | L | 85.3 | Confident | 79.1 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -76.8 | 140.2 | 179.2 | -61.5 | 179 | 0 | 0 | 0 | 111.6 | A789 L804 A805 Q811 L812 I816 | A789-L807 HydrophobicContact CB-CD1 3.59Å; A789-L807 HydrophobicContact CB-CD2 3.79Å; A789-L807 HydrophobicContact CB-CG 4.36Å; L804-L807 HydrophobicContact CD2-CD1 3.81Å; L804-L807 WeakPolarHBondContact O-CB 3.15Å; L804-L807 PolarHBondContact O-N 3.19Å; L804-L807 VanDerWaalsContact O-N 3.12Å; A805-L807 VanDerWaalsContact C-N 3.31Å; L807-Q811 HydrophobicContact CB-CB 4.32Å; L807-L812 HydrophobicContact CB-CD2 3.97Å; L807-L812 HydrophobicContact CB-CG 3.88Å; L807-L812 HydrophobicContact CD1-CD2 3.85Å; L807-I816 HydrophobicContact CD1-CD1 4.47Å |
| 808 | T | 86.4 | Confident | 79.8 | Confident | 75 Ų | 75 | 50 Ų | 50 | 46% | 0.46 | 26% | 0.255 | S | S | . | . | trans | -71.7 | 155.7 | 171.3 | 64.9 | 0 | 0 | 0 | 0 | 111 | Q811 L812 | T808-Q811 WeakPolarHBondContact O-CB 3.45Å; T808-Q811 PolarHBondContact O-N 3.07Å; T808-Q811 VanDerWaalsContact OG1-CD 3.32Å; T808-Q811 VanDerWaalsContact OG1-CG 3.3Å; T808-Q811 WeakPolarHBondContact OG1-CG 3.37Å; T808-Q811 PolarHBondContact OG1-OE1 2.88Å; T808-L812 PolarHBondContact O-N 2.86Å | ||
| 809 | S | 86.1 | Confident | 80.9 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -38.9 | 179.5 | -60.1 | 0 | 0 | 0 | 0 | 114.3 | L812 R813 S1010 | S809-L812 PolarHBondContact O-N 2.98Å; S809-R813 PolarHBondContact O-N 3.02Å; S809-R813 VanDerWaalsContact O-N 3.11Å; S809-S1010 WeakPolarHBondContact CB-O 3.46Å; S809-S1010 VanDerWaalsContact OG-CB 3.28Å; S809-S1010 WeakPolarHBondContact OG-CB 3.48Å; S809-S1010 PolarHBondContact OG-OG 2.79Å |
| 810 | P | 85.5 | Confident | 81.7 | Confident | 76 Ų | 76 | 48.4 Ų | 48.4 | 49% | 0.494 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 171.6 | -24.5 | 35.6 | 0 | 0 | 0 | 113.2 | L812 R813 M814 | P810-L812 VanDerWaalsContact C-N 3.31Å; P810-L812 PolarHBondContact O-N 2.64Å; P810-R813 PolarHBondContact O-N 3.24Å; P810-R813 VanDerWaalsContact O-N 3.15Å; P810-M814 WeakPolarHBondContact O-CG 3.4Å; P810-M814 PolarHBondContact O-N 3.09Å |
| 811 | Q | 85.9 | Confident | 82.5 | Confident | 68 Ų | 68 | 48.6 Ų | 48.6 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.7 | -37.6 | 175.5 | -71.3 | 169.3 | -57.9 | 0 | 0 | 111.8 | L807 T808 R813 M814 | L807-Q811 HydrophobicContact CB-CB 4.32Å; T808-Q811 WeakPolarHBondContact O-CB 3.45Å; T808-Q811 PolarHBondContact O-N 3.07Å; T808-Q811 VanDerWaalsContact OG1-CD 3.32Å; T808-Q811 VanDerWaalsContact OG1-CG 3.3Å; T808-Q811 WeakPolarHBondContact OG1-CG 3.37Å; T808-Q811 PolarHBondContact OG1-OE1 2.88Å; Q811-R813 VanDerWaalsContact C-N 3.29Å; Q811-R813 PolarHBondContact O-N 2.69Å; Q811-M814 WeakPolarHBondContact O-CB 3.18Å; Q811-M814 PolarHBondContact O-N 3Å; Q811-M814 VanDerWaalsContact O-N 3.1Å |
| 812 | L | 87.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.5 | -28.5 | 175 | -74.3 | 172.2 | 0 | 0 | 0 | 112.8 | L804 L807 T808 S809 P810 M814 I816 K885 M886 K889 I1011 | L804-L812 HydrophobicContact CD2-CD2 4.1Å; L807-L812 HydrophobicContact CB-CD2 3.97Å; L807-L812 HydrophobicContact CB-CG 3.88Å; L807-L812 HydrophobicContact CD1-CD2 3.85Å; T808-L812 PolarHBondContact O-N 2.86Å; S809-L812 PolarHBondContact O-N 2.98Å; P810-L812 VanDerWaalsContact C-N 3.31Å; P810-L812 PolarHBondContact O-N 2.64Å; L812-M814 VanDerWaalsContact C-N 3.29Å; L812-I816 HydrophobicContact CD2-CD1 3.86Å; L812-K885 HydrophobicContact CD1-CB 4.27Å; L812-K885 HydrophobicContact CD1-CD 3.84Å; L812-K885 HydrophobicContact CD1-CG 4.39Å; L812-M886 HydrophobicContact CD1-CE 4.31Å; L812-M886 HydrophobicContact CD2-CE 3.92Å; L812-K889 WeakPolarHBondContact O-CD 3.34Å; L812-K889 WeakPolarHBondContact O-CE 3.4Å; L812-K889 PolarHBondContact O-NZ 3.06Å; L812-I1011 HydrophobicContact CB-CD1 3.95Å; L812-I1011 HydrophobicContact CD1-CD1 4.31Å |
| 813 | R | 89 | Confident | 82.9 | Confident | 61 Ų | 61 | 46.7 Ų | 46.7 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.6 | -22.3 | 172 | -70.6 | -179.4 | -165.7 | 165.8 | 9.7 | 112.7 | D768 L772 S809 P810 Q811 Y892 S1010 I1011 | D768-R813 IonicContact OD1-NH1 3.3Å; L772-R813 HydrophobicContact CD1-CB 3.55Å; S809-R813 PolarHBondContact O-N 3.02Å; S809-R813 VanDerWaalsContact O-N 3.11Å; P810-R813 PolarHBondContact O-N 3.24Å; P810-R813 VanDerWaalsContact O-N 3.15Å; Q811-R813 VanDerWaalsContact C-N 3.29Å; Q811-R813 PolarHBondContact O-N 2.69Å; R813-Y892 HydrophobicContact CB-CE1 4.21Å; R813-Y892 HydrophobicContact CG-CE1 4.49Å; R813-Y892 WeakPolarHBondContact O-CE1 3.49Å; R813-S1010 PolarHBondContact NH2-O 3.26Å; R813-I1011 HydrophobicContact CG-CG2 3.95Å; R813-I1011 VanDerWaalsContact CZ-O 3.28Å; R813-I1011 PolarHBondContact NE-O 3.21Å; R813-I1011 PolarHBondContact NH2-O 3.38Å |
| 814 | M | 84.9 | Confident | 82.8 | Confident | 41 Ų | 41 | 50.9 Ų | 50.9 | 20% | 0.202 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -73.6 | 171.3 | 175.8 | -64.2 | 178.7 | 75.9 | 0 | 0 | 113 | I774 P786 P810 Q811 L812 I816 K889 | I774-M814 HydrophobicContact CD1-CB 4.35Å; I774-M814 HydrophobicContact CD1-CG 4.4Å; P786-M814 HydrophobicContact CB-CE 3.75Å; P786-M814 HydrophobicContact CG-CE 4.33Å; P810-M814 WeakPolarHBondContact O-CG 3.4Å; P810-M814 PolarHBondContact O-N 3.09Å; Q811-M814 WeakPolarHBondContact O-CB 3.18Å; Q811-M814 PolarHBondContact O-N 3Å; Q811-M814 VanDerWaalsContact O-N 3.1Å; L812-M814 VanDerWaalsContact C-N 3.29Å; M814-I816 PolarHBondContact O-N 3.17Å; M814-K889 PolarHBondContact O-NZ 3.41Å |
| 815 | K | 82.4 | Confident | 82.4 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 126.6 | 175 | -170.8 | 176.7 | -175.4 | 179.8 | 0 | 109.3 | D783 G788 D834 | D783-K815 IonicContact OD1-NZ 3.03Å; D783-K815 PolarHBondContact OD1-NZ 3.02Å; D783-K815 IonicContact OD2-NZ 3.39Å; D783-K815 PolarHBondContact OD2-NZ 3.19Å; G788-K815 PolarHBondContact N-O 2.87Å; K815-D834 WeakPolarHBondContact CE-OD1 3.47Å |
| 816 | I | 83.2 | Confident | 82.3 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 124.2 | 176.4 | -59.4 | 173.2 | 0 | 0 | 0 | 106.7 | A789 I791 L804 L807 L812 M814 F837 | A789-I816 WeakPolarHBondContact O-CA 3.42Å; I791-I816 HydrophobicContact CD1-CG2 3.92Å; I791-I816 HydrophobicContact CG1-CG2 3.95Å; L804-I816 HydrophobicContact CD2-CD1 3.97Å; L804-I816 HydrophobicContact CD2-CG2 4.36Å; L807-I816 HydrophobicContact CD1-CD1 4.47Å; L812-I816 HydrophobicContact CD2-CD1 3.86Å; M814-I816 PolarHBondContact O-N 3.17Å; I816-F837 HydrophobicContact CB-CD2 3.86Å; I816-F837 HydrophobicContact CB-CE2 3.73Å; I816-F837 HydrophobicContact CD1-CE2 3.93Å; I816-F837 HydrophobicContact CD1-CZ 4.29Å; I816-F837 HydrophobicContact CG1-CE2 4.37Å; I816-F837 HydrophobicContact CG2-CD2 3.97Å; I816-F837 HydrophobicContact CG2-CE2 3.93Å |
| 817 | R | 82.6 | Confident | 81.9 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 134.1 | 173.6 | -69.9 | -174.7 | -179.2 | 161 | 6.5 | 110.1 | D783 V787 A789 V790 I791 D832 | D783-R817 PolarHBondContact O-NH2 3.02Å; D783-R817 IonicContact OD1-NH2 3.25Å; D783-R817 IonicContact OD2-CZ 2.84Å; D783-R817 IonicContact OD2-NE 2.73Å; D783-R817 IonicContact OD2-NH2 3.44Å; D783-R817 PolarHBondContact OD2-NH2 2.88Å; V787-R817 HydrophobicContact CG1-CB 4.43Å; V787-R817 HydrophobicContact CG1-CG 4.05Å; V787-R817 HydrophobicContact CG2-CG 4.38Å; V787-R817 VanDerWaalsContact CG2-CZ 3.47Å; A789-R817 PolarHBondContact O-N 3.06Å; V790-R817 CarbonylContact C-O 3.5Å; V790-R817 WeakPolarHBondContact CA-O 3.39Å; V790-R817 HydrophobicContact CG2-CB 4.32Å; I791-R817 WeakPolarHBondContact CG1-O 3.49Å; I791-R817 PolarHBondContact N-O 3.32Å; R817-D832 VanDerWaalsContact CA-OD2 3.24Å; R817-D832 WeakPolarHBondContact CA-OD2 3.18Å; R817-D832 HydrophobicContact CB-CB 4.39Å |
| 818 | V | 82.4 | Confident | 81.3 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132.6 | 178.5 | -171.8 | 0 | 0 | 0 | 0 | 110.1 | I791 V793 F820 D832 V836 F837 F840 | I791-V818 HydrophobicContact CD1-CG2 3.8Å; I791-V818 HydrophobicContact CG1-CB 4.24Å; I791-V818 HydrophobicContact CG1-CG1 4.29Å; I791-V818 HydrophobicContact CG1-CG2 3.77Å; I791-V818 CarbonylContact O-C 3.25Å; I791-V818 WeakPolarHBondContact O-CA 3.47Å; V793-V818 HydrophobicContact CB-CG1 4.35Å; V793-V818 HydrophobicContact CG2-CG1 3.81Å; V818-F820 HydrophobicContact CG1-CE2 4.34Å; V818-F820 HydrophobicContact CG1-CZ 4.43Å; V818-D832 PolarHBondContact N-OD2 3.18Å; V818-V836 HydrophobicContact CB-CG1 3.99Å; V818-V836 HydrophobicContact CG1-CG1 4.24Å; V818-F837 HydrophobicContact CG2-CB 3.97Å; V818-F837 HydrophobicContact CG2-CD2 3.7Å; V818-F837 HydrophobicContact CG2-CG 4.34Å; V818-F840 HydrophobicContact CG1-CB 4.08Å; V818-F840 HydrophobicContact CG1-CD2 4.48Å; V818-F840 HydrophobicContact CG1-CG 4.12Å; V818-F840 HydrophobicContact CG2-CB 4.22Å; V818-F840 HydrophobicContact CG2-CD1 4.06Å; V818-F840 HydrophobicContact CG2-CG 4.26Å |
| 819 | Q | 82 | Confident | 80.2 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 118.3 | 170.4 | -174.7 | 174.7 | 5.7 | 0 | 0 | 108.7 | I791 T792 V793 D827 | I791-Q819 PolarHBondContact O-N 3.44Å; T792-Q819 CarbonylContact C-O 3.54Å; T792-Q819 WeakPolarHBondContact CA-O 3.34Å; V793-Q819 PolarHBondContact N-O 2.83Å; Q819-D827 VanDerWaalsContact NE2-CG 3.27Å; Q819-D827 PolarHBondContact NE2-OD2 3.29Å; Q819-D827 VanDerWaalsContact NE2-OD2 3.16Å |
| 820 | F | 81.5 | Confident | 79.1 | Confident | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 142.9 | 175.1 | -78 | -70.1 | 0 | 0 | 0 | 111.4 | V793 R795 V818 E828 V836 F840 F1172 | V793-F820 HydrophobicContact CB-CD1 3.95Å; V793-F820 HydrophobicContact CB-CE1 4.03Å; V793-F820 HydrophobicContact CG1-CD1 4.04Å; V793-F820 HydrophobicContact CG1-CE1 3.81Å; V793-F820 CarbonylContact O-C 3.56Å; V793-F820 VanDerWaalsContact O-CA 3.29Å; V793-F820 WeakPolarHBondContact O-CA 3.31Å; R795-F820 HydrophobicContact CG-CD1 4.2Å; V818-F820 HydrophobicContact CG1-CE2 4.34Å; V818-F820 HydrophobicContact CG1-CZ 4.43Å; F820-E828 HydrophobicContact CB-CB 4.1Å; F820-E828 HydrophobicContact CB-CG 4.16Å; F820-E828 PolarHBondContact O-N 2.96Å; F820-V836 HydrophobicContact CD2-CG1 3.33Å; F820-V836 HydrophobicContact CE2-CG1 3.39Å; F820-F840 HydrophobicContact CE1-CD2 4.3Å; F820-F840 HydrophobicContact CE2-CB 4.3Å; F820-F840 HydrophobicContact CZ-CB 3.69Å; F820-F840 HydrophobicContact CZ-CD2 4.27Å; F820-F840 HydrophobicContact CZ-CG 4.45Å; F820-F1172 HydrophobicContact CD2-CD2 4.11Å; F820-F1172 HydrophobicContact CD2-CE2 4Å; F820-F1172 HydrophobicContact CE2-CE2 4.04Å |
| 821 | V | 81.4 | Confident | 78.2 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.9 | 168.1 | -177.2 | 0 | 0 | 0 | 0 | 107.5 | T792 V793 H794 R795 L826 | T792-V821 HydrophobicContact CG2-CG2 3.58Å; V793-V821 PolarHBondContact O-N 3.48Å; H794-V821 CarbonylContact C-O 3.57Å; H794-V821 WeakPolarHBondContact CA-O 3.14Å; H794-V821 WeakPolarHBondContact ND1-CG1 3.27Å; R795-V821 PolarHBondContact N-O 3.37Å; V821-L826 WeakPolarHBondContact CA-O 3.41Å |
| 822 | N | 77.3 | Confident | 77 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 9% | 0.086 | 31% | 0.312 | C | S | . | . | trans | -70.5 | -179.9 | -175.5 | 72.2 | 8.9 | 0 | 0 | 0 | 113.1 | M824 G825 L826 E828 E1173 | N822-M824 PolarHBondContact O-N 2.93Å; N822-M824 WeakPolarHBondContact OD1-CA 3.49Å; N822-M824 WeakPolarHBondContact OD1-CB 3.33Å; N822-M824 PolarHBondContact OD1-N 2.95Å; N822-G825 PolarHBondContact O-N 2.94Å; N822-G825 VanDerWaalsContact O-N 3.08Å; N822-G825 PolarHBondContact OD1-N 3.17Å; N822-L826 VanDerWaalsContact CG-O 3.31Å; N822-L826 PolarHBondContact N-O 3.25Å; N822-L826 PolarHBondContact OD1-N 3.43Å; N822-L826 PolarHBondContact OD1-O 2.94Å; N822-E828 HydrophobicContact CB-CG 3.99Å; N822-E1173 WeakPolarHBondContact CB-OE1 3.43Å; N822-E1173 VanDerWaalsContact CG-OE1 3.23Å; N822-E1173 PolarHBondContact ND2-OE1 3.31Å | ||
| 823 | E | 73.7 | Confident | 75.9 | Confident | 148 Ų | 148 | 59.6 Ų | 59.6 | 69% | 0.692 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.5 | -179.8 | -52.8 | -169.1 | 162.1 | 0 | 0 | 113.3 | N796 G825 | N796-E823 WeakPolarHBondContact ND2-CA 3.33Å; N796-E823 PolarHBondContact ND2-O 2.98Å; N796-E823 WeakPolarHBondContact OD1-CG 3.36Å; E823-G825 VanDerWaalsContact C-N 3.32Å |
| 824 | M | 76.4 | Confident | 74.8 | Confident | 159 Ų | 159 | 60 Ų | 60 | 78% | 0.783 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0 | 179.5 | -58 | -59.5 | -72.9 | 0 | 0 | 113 | N822 | N822-M824 PolarHBondContact O-N 2.93Å; N822-M824 WeakPolarHBondContact OD1-CA 3.49Å; N822-M824 WeakPolarHBondContact OD1-CB 3.33Å; N822-M824 PolarHBondContact OD1-N 2.95Å |
| 825 | G | 73 | Confident | 74.1 | Confident | 50 Ų | 50 | 58.1 Ų | 58.1 | 52% | 0.515 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 79.9 | 12.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N822 E823 | N822-G825 PolarHBondContact O-N 2.94Å; N822-G825 VanDerWaalsContact O-N 3.08Å; N822-G825 PolarHBondContact OD1-N 3.17Å; E823-G825 VanDerWaalsContact C-N 3.32Å |
| 826 | L | 77.5 | Confident | 73.9 | Confident | 114 Ų | 114 | 56.6 Ų | 56.6 | 60% | 0.597 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -94.7 | 145.6 | 176.2 | -58.6 | 170.4 | 0 | 0 | 0 | 110.6 | V821 N822 E828 | V821-L826 WeakPolarHBondContact CA-O 3.41Å; N822-L826 VanDerWaalsContact CG-O 3.31Å; N822-L826 PolarHBondContact N-O 3.25Å; N822-L826 PolarHBondContact OD1-N 3.43Å; N822-L826 PolarHBondContact OD1-O 2.94Å; L826-E828 PolarHBondContact O-N 3.45Å |
| 827 | D | 76.6 | Confident | 73.8 | Confident | 102 Ų | 102 | 56.9 Ų | 56.9 | 55% | 0.545 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -62.6 | 126.2 | 174.3 | -68.5 | -17.8 | 0 | 0 | 0 | 110.3 | Q819 | Q819-D827 VanDerWaalsContact NE2-CG 3.27Å; Q819-D827 PolarHBondContact NE2-OD2 3.29Å; Q819-D827 VanDerWaalsContact NE2-OD2 3.16Å |
| 828 | E | 72.8 | Confident | 73.7 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 133.1 | 170.4 | -74.1 | -179 | -147 | 0 | 0 | 109.6 | R795 F820 N822 L826 G830 F1172 E1173 | R795-E828 VanDerWaalsContact CD-OE1 3.27Å; R795-E828 WeakPolarHBondContact CD-OE1 3.42Å; R795-E828 WeakPolarHBondContact CG-OE1 3.39Å; R795-E828 IonicContact CZ-OE1 3.24Å; R795-E828 IonicContact CZ-OE2 3.95Å; R795-E828 IonicContact NE-OE1 3.7Å; R795-E828 PolarHBondContact NE-OE1 2.88Å; R795-E828 IonicContact NE-OE2 3Å; R795-E828 PolarHBondContact NE-OE2 3.5Å; R795-E828 IonicContact NH2-OE1 2.73Å; R795-E828 IonicContact NH2-OE2 3.3Å; R795-E828 PolarHBondContact NH2-OE2 2.83Å; F820-E828 HydrophobicContact CB-CB 4.1Å; F820-E828 HydrophobicContact CB-CG 4.16Å; F820-E828 PolarHBondContact O-N 2.96Å; N822-E828 HydrophobicContact CB-CG 3.99Å; L826-E828 PolarHBondContact O-N 3.45Å; E828-G830 PolarHBondContact O-N 2.89Å; E828-F1172 PolarHBondContact OE2-N 3.1Å; E828-E1173 HydrophobicContact CG-CG 4.04Å |
| 829 | V | 63.7 | Low | 73.5 | Confident | 131 Ų | 131 | 56.6 Ų | 56.6 | 79% | 0.794 | 31% | 0.313 | S | S | * | . | trans | -73.6 | 90 | 180 | -169.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 830 | G | 62.3 | Low | 73.6 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | trans | -145.1 | 128.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | E828 | E828-G830 PolarHBondContact O-N 2.89Š| ||
| 831 | I | 65.5 | Low | 73.7 | Confident | 138 Ų | 138 | 53.1 Ų | 53.1 | 71% | 0.708 | 30% | 0.296 | S | S | * | . | trans | -92.5 | 114.3 | 167.8 | -57 | 176.3 | 0 | 0 | 0 | 107.3 | L833 C1143 | I831-L833 HydrophobicContact CG2-CG 4.12Å; I831-L833 PolarHBondContact O-N 3.31Å; I831-C1143 PolarHBondContact O-SG 3.46Å; I831-C1143 VanDerWaalsContact O-SG 3.4Å | ||
| 832 | D | 60.8 | Low | 73.7 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | trans | -76.1 | 89.6 | 178.4 | -167.6 | 13.9 | 0 | 0 | 0 | 112 | R817 V818 D834 V836 F837 | R817-D832 VanDerWaalsContact CA-OD2 3.24Å; R817-D832 WeakPolarHBondContact CA-OD2 3.18Å; R817-D832 HydrophobicContact CB-CB 4.39Å; V818-D832 PolarHBondContact N-OD2 3.18Å; D832-D834 WeakPolarHBondContact OD1-CA 2.96Å; D832-D834 PolarHBondContact OD1-N 3.34Å; D832-D834 VanDerWaalsContact OD1-N 3.09Å; D832-V836 HydrophobicContact CB-CB 3.94Å; D832-V836 HydrophobicContact CB-CG2 4.04Å; D832-V836 WeakPolarHBondContact OD1-CB 3.46Å; D832-V836 PolarHBondContact OD1-N 3.45Å; D832-F837 PolarHBondContact OD1-N 2.9Å; D832-F837 PolarHBondContact OD2-N 3.01Å | ||
| 833 | L | 64.3 | Low | 73.8 | Confident | 29 Ų | 29 | 54.6 Ų | 54.6 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -101.3 | 61.2 | 163.8 | -67.5 | 171.5 | 0 | 0 | 0 | 108.6 | D783 I831 G835 C1143 F1144 | D783-L833 HydrophobicContact CB-CD2 4.38Å; I831-L833 HydrophobicContact CG2-CG 4.12Å; I831-L833 PolarHBondContact O-N 3.31Å; L833-G835 PolarHBondContact O-N 3.09Å; L833-C1143 HydrophobicContact CB-CB 3.88Å; L833-C1143 WeakPolarHBondContact O-CB 3.43Å; L833-F1144 HydrophobicContact CD1-CE1 4.13Å; L833-F1144 HydrophobicContact CD1-CE2 4.32Å; L833-F1144 HydrophobicContact CD1-CZ 3.59Å |
| 834 | D | 67.2 | Low | 74.2 | Confident | 70 Ų | 70 | 48.1 Ų | 48.1 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 69.9 | -17.6 | 179.3 | -54.7 | -27.3 | 0 | 0 | 0 | 116.6 | K815 D832 K838 | K815-D834 WeakPolarHBondContact CE-OD1 3.47Å; D832-D834 WeakPolarHBondContact OD1-CA 2.96Å; D832-D834 PolarHBondContact OD1-N 3.34Å; D832-D834 VanDerWaalsContact OD1-N 3.09Å; D834-K838 WeakPolarHBondContact O-CB 3.12Å; D834-K838 WeakPolarHBondContact O-CD 3.4Å; D834-K838 WeakPolarHBondContact O-CG 3.27Å; D834-K838 PolarHBondContact O-N 3.03Å; D834-K838 VanDerWaalsContact O-N 3.11Å |
| 835 | G | 70.2 | Confident | 74.6 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.3 | -38 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | L833 E839 S1083 | L833-G835 PolarHBondContact O-N 3.09Å; G835-E839 PolarHBondContact O-N 2.9Å; G835-S1083 PolarHBondContact O-OG 3.5Å |
| 836 | V | 77.1 | Confident | 75.1 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.9 | -42.4 | -179 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | V818 F820 D832 K838 E839 F840 F1172 | V818-V836 HydrophobicContact CB-CG1 3.99Å; V818-V836 HydrophobicContact CG1-CG1 4.24Å; F820-V836 HydrophobicContact CD2-CG1 3.33Å; F820-V836 HydrophobicContact CE2-CG1 3.39Å; D832-V836 HydrophobicContact CB-CB 3.94Å; D832-V836 HydrophobicContact CB-CG2 4.04Å; D832-V836 WeakPolarHBondContact OD1-CB 3.46Å; D832-V836 PolarHBondContact OD1-N 3.45Å; V836-K838 VanDerWaalsContact C-N 3.34Å; V836-K838 PolarHBondContact O-N 3.44Å; V836-E839 PolarHBondContact O-N 3.46Å; V836-F840 WeakPolarHBondContact O-CB 3.33Å; V836-F840 PolarHBondContact O-N 2.96Å; V836-F1172 HydrophobicContact CB-CE2 4.27Å; V836-F1172 HydrophobicContact CB-CZ 4.24Å; V836-F1172 HydrophobicContact CG1-CE2 3.9Å; V836-F1172 HydrophobicContact CG1-CZ 4.37Å; V836-F1172 HydrophobicContact CG2-CE1 4.16Å; V836-F1172 HydrophobicContact CG2-CE2 4.04Å; V836-F1172 HydrophobicContact CG2-CZ 3.82Å |
| 837 | F | 81.8 | Confident | 75.2 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 5% | 0.048 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.3 | -42 | 172.1 | 179.6 | -101.2 | 0 | 0 | 0 | 113 | I816 V818 D832 F840 L841 K889 E893 I895 | I816-F837 HydrophobicContact CB-CD2 3.86Å; I816-F837 HydrophobicContact CB-CE2 3.73Å; I816-F837 HydrophobicContact CD1-CE2 3.93Å; I816-F837 HydrophobicContact CD1-CZ 4.29Å; I816-F837 HydrophobicContact CG1-CE2 4.37Å; I816-F837 HydrophobicContact CG2-CD2 3.97Å; I816-F837 HydrophobicContact CG2-CE2 3.93Å; V818-F837 HydrophobicContact CG2-CB 3.97Å; V818-F837 HydrophobicContact CG2-CD2 3.7Å; V818-F837 HydrophobicContact CG2-CG 4.34Å; D832-F837 PolarHBondContact OD1-N 2.9Å; D832-F837 PolarHBondContact OD2-N 3.01Å; F837-F840 PolarHBondContact O-N 2.69Å; F837-L841 HydrophobicContact CE1-CD2 3.98Å; F837-L841 HydrophobicContact CZ-CD2 4.06Å; F837-L841 WeakPolarHBondContact O-CB 3.26Å; F837-L841 PolarHBondContact O-N 2.94Å; F837-K889 HydrophobicContact CE1-CG 4.34Å; F837-K889 HydrophobicContact CZ-CD 4.35Å; F837-K889 HydrophobicContact CZ-CG 3.78Å; F837-E893 HydrophobicContact CE1-CG 4.15Å; F837-I895 HydrophobicContact CD1-CD1 4.31Å; F837-I895 HydrophobicContact CE1-CD1 4.16Å |
| 838 | K | 80.4 | Confident | 75.6 | Confident | 36 Ų | 36 | 39 Ų | 39 | 16% | 0.157 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.6 | -48.9 | 176.3 | -79.9 | 171 | -175.4 | 178.6 | 0 | 112.4 | D834 V836 L841 E842 I895 | D834-K838 WeakPolarHBondContact O-CB 3.12Å; D834-K838 WeakPolarHBondContact O-CD 3.4Å; D834-K838 WeakPolarHBondContact O-CG 3.27Å; D834-K838 PolarHBondContact O-N 3.03Å; D834-K838 VanDerWaalsContact O-N 3.11Å; V836-K838 VanDerWaalsContact C-N 3.34Å; V836-K838 PolarHBondContact O-N 3.44Å; K838-L841 PolarHBondContact O-N 3.36Å; K838-E842 WeakPolarHBondContact O-CB 3.48Å; K838-E842 PolarHBondContact O-N 3.47Å; K838-I895 HydrophobicContact CB-CD1 4.4Å; K838-I895 HydrophobicContact CG-CD1 3.58Å; K838-I895 HydrophobicContact CG-CG1 3.92Å |
| 839 | E | 78.5 | Confident | 76.3 | Confident | 33 Ų | 33 | 38.7 Ų | 38.7 | 15% | 0.154 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.1 | -50.6 | 177.3 | 177 | 178.6 | 154.1 | 0 | 0 | 110.9 | R795 G835 V836 L841 E842 E843 F1172 | R795-E839 IonicContact CZ-OE1 3.08Å; R795-E839 IonicContact NH1-OE1 2.66Å; R795-E839 PolarHBondContact NH1-OE1 3.03Å; R795-E839 IonicContact NH2-OE1 3.53Å; R795-E839 PolarHBondContact NH2-OE1 2.94Å; G835-E839 PolarHBondContact O-N 2.9Å; V836-E839 PolarHBondContact O-N 3.46Å; E839-L841 VanDerWaalsContact C-N 3.31Å; E839-L841 PolarHBondContact O-N 3.21Å; E839-E842 PolarHBondContact O-N 3.44Å; E839-E843 VanDerWaalsContact O-CB 3.31Å; E839-E843 WeakPolarHBondContact O-CB 3.11Å; E839-E843 PolarHBondContact O-N 3.26Å; E839-F1172 WeakPolarHBondContact OE2-CE2 3.5Å; E839-F1172 WeakPolarHBondContact OE2-CZ 3.12Å |
| 840 | F | 82.8 | Confident | 77.3 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 2% | 0.022 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.6 | -46.2 | 179.3 | 168.7 | -105.5 | 0 | 0 | 0 | 112 | I791 V793 L804 V818 F820 V836 F837 T844 | I791-F840 HydrophobicContact CD1-CD1 4.17Å; I791-F840 HydrophobicContact CD1-CE1 3.75Å; I791-F840 HydrophobicContact CD1-CZ 4.17Å; V793-F840 HydrophobicContact CB-CD2 4.33Å; V793-F840 HydrophobicContact CB-CE2 4.32Å; V793-F840 HydrophobicContact CG1-CD2 3.95Å; V793-F840 HydrophobicContact CG1-CE2 3.84Å; V793-F840 HydrophobicContact CG2-CD2 3.8Å; V793-F840 HydrophobicContact CG2-CE2 3.57Å; V793-F840 HydrophobicContact CG2-CZ 4.17Å; L804-F840 HydrophobicContact CD1-CE1 3.48Å; L804-F840 VanDerWaalsContact CD1-CE1 3.48Å; L804-F840 HydrophobicContact CD1-CZ 3.75Å; V818-F840 HydrophobicContact CG1-CB 4.08Å; V818-F840 HydrophobicContact CG1-CD2 4.48Å; V818-F840 HydrophobicContact CG1-CG 4.12Å; V818-F840 HydrophobicContact CG2-CB 4.22Å; V818-F840 HydrophobicContact CG2-CD1 4.06Å; V818-F840 HydrophobicContact CG2-CG 4.26Å; F820-F840 HydrophobicContact CE1-CD2 4.3Å; F820-F840 HydrophobicContact CE2-CB 4.3Å; F820-F840 HydrophobicContact CZ-CB 3.69Å; F820-F840 HydrophobicContact CZ-CD2 4.27Å; F820-F840 HydrophobicContact CZ-CG 4.45Å; V836-F840 WeakPolarHBondContact O-CB 3.33Å; V836-F840 PolarHBondContact O-N 2.96Å; F837-F840 PolarHBondContact O-N 2.69Å; F840-T844 VanDerWaalsContact CE2-OG1 3.31Å; F840-T844 WeakPolarHBondContact CE2-OG1 3.43Å; F840-T844 WeakPolarHBondContact O-CB 3.13Å; F840-T844 PolarHBondContact O-N 2.95Å; F840-T844 PolarHBondContact O-OG1 3.35Å |
| 841 | L | 84.5 | Confident | 78.5 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.1 | -45.7 | -178.3 | -171 | 62.1 | 0 | 0 | 0 | 112 | F837 K838 E839 E843 T844 L845 M886 K889 A890 I895 | F837-L841 HydrophobicContact CE1-CD2 3.98Å; F837-L841 HydrophobicContact CZ-CD2 4.06Å; F837-L841 WeakPolarHBondContact O-CB 3.26Å; F837-L841 PolarHBondContact O-N 2.94Å; K838-L841 PolarHBondContact O-N 3.36Å; E839-L841 VanDerWaalsContact C-N 3.31Å; E839-L841 PolarHBondContact O-N 3.21Å; L841-E843 PolarHBondContact O-N 3.02Å; L841-T844 PolarHBondContact O-N 3.37Å; L841-L845 HydrophobicContact CD1-CD1 4.15Å; L841-L845 HydrophobicContact CD1-CG 4.3Å; L841-L845 HydrophobicContact CG-CD1 4.09Å; L841-L845 WeakPolarHBondContact O-CB 3.25Å; L841-L845 VanDerWaalsContact O-CG 3.29Å; L841-L845 WeakPolarHBondContact O-CG 3.3Å; L841-L845 PolarHBondContact O-N 3.38Å; L841-M886 HydrophobicContact CD1-CB 4.18Å; L841-M886 HydrophobicContact CD1-SD 4.23Å; L841-K889 HydrophobicContact CD2-CG 4.47Å; L841-A890 HydrophobicContact CD2-CB 3.61Å; L841-A890 HydrophobicContact CG-CB 4.28Å; L841-I895 HydrophobicContact CD2-CD1 3.89Å |
| 842 | E | 81 | Confident | 79.6 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 178 | -175.2 | 178.4 | 143.8 | 0 | 0 | 111.5 | K838 E839 R846 C1084 S1085 | K838-E842 WeakPolarHBondContact O-CB 3.48Å; K838-E842 PolarHBondContact O-N 3.47Å; E839-E842 PolarHBondContact O-N 3.44Å; E842-R846 VanDerWaalsContact O-CB 3.26Å; E842-R846 WeakPolarHBondContact O-CB 3.47Å; E842-R846 PolarHBondContact O-N 3.23Å; E842-R846 IonicContact OE1-CZ 3.93Å; E842-R846 IonicContact OE1-NH2 3.36Å; E842-R846 PolarHBondContact OE1-NH2 3.08Å; E842-C1084 WeakPolarHBondContact OE2-CA 3.43Å; E842-S1085 WeakPolarHBondContact OE1-CB 3.35Å; E842-S1085 PolarHBondContact OE1-OG 3.09Å; E842-S1085 PolarHBondContact OE2-N 2.9Å |
| 843 | E | 79.2 | Confident | 80.9 | Confident | 48 Ų | 48 | 37.3 Ų | 37.3 | 22% | 0.224 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.9 | -44 | 177.4 | -175.5 | 166.7 | -153.6 | 0 | 0 | 112.6 | E839 L841 R846 R847 | E839-E843 VanDerWaalsContact O-CB 3.31Å; E839-E843 WeakPolarHBondContact O-CB 3.11Å; E839-E843 PolarHBondContact O-N 3.26Å; L841-E843 PolarHBondContact O-N 3.02Å; E843-R846 PolarHBondContact O-N 3.31Å; E843-R847 WeakPolarHBondContact O-CG 3.47Å; E843-R847 PolarHBondContact O-N 3.37Å; E843-R847 IonicContact OE1-CZ 2.89Å; E843-R847 VanDerWaalsContact OE1-CZ 3.25Å; E843-R847 IonicContact OE1-NE 3.64Å; E843-R847 PolarHBondContact OE1-NE 3.45Å; E843-R847 IonicContact OE1-NH2 3.38Å; E843-R847 PolarHBondContact OE1-NH2 2.8Å |
| 844 | T | 82.2 | Confident | 82.1 | Confident | 11 Ų | 11 | 38.1 Ų | 38.1 | 7% | 0.067 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.2 | -49.1 | 177.5 | -62.3 | 0 | 0 | 0 | 0 | 110.8 | F840 L841 R846 R847 V848 | F840-T844 VanDerWaalsContact CE2-OG1 3.31Å; F840-T844 WeakPolarHBondContact CE2-OG1 3.43Å; F840-T844 WeakPolarHBondContact O-CB 3.13Å; F840-T844 PolarHBondContact O-N 2.95Å; F840-T844 PolarHBondContact O-OG1 3.35Å; L841-T844 PolarHBondContact O-N 3.37Å; T844-R846 PolarHBondContact O-N 3.48Å; T844-R847 PolarHBondContact O-N 3.38Å; T844-V848 HydrophobicContact CG2-CG2 4.39Å; T844-V848 WeakPolarHBondContact O-CG2 3.28Å; T844-V848 PolarHBondContact O-N 3.33Å |
| 845 | L | 85.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.6 | -41.7 | 179.8 | -67.3 | 177 | 0 | 0 | 0 | 111.3 | L841 R847 V848 F849 L883 M886 L887 A890 V897 | L841-L845 HydrophobicContact CD1-CD1 4.15Å; L841-L845 HydrophobicContact CD1-CG 4.3Å; L841-L845 HydrophobicContact CG-CD1 4.09Å; L841-L845 WeakPolarHBondContact O-CB 3.25Å; L841-L845 VanDerWaalsContact O-CG 3.29Å; L841-L845 WeakPolarHBondContact O-CG 3.3Å; L841-L845 PolarHBondContact O-N 3.38Å; L845-R847 VanDerWaalsContact C-N 3.33Å; L845-R847 PolarHBondContact O-N 3.46Å; L845-V848 PolarHBondContact O-N 2.66Å; L845-F849 HydrophobicContact CB-CD2 4.08Å; L845-F849 HydrophobicContact CB-CE2 4.11Å; L845-F849 HydrophobicContact CD2-CD2 4.44Å; L845-F849 HydrophobicContact CD2-CE2 3.79Å; L845-F849 HydrophobicContact CG-CE2 4.43Å; L845-F849 WeakPolarHBondContact O-CB 3.2Å; L845-F849 WeakPolarHBondContact O-CD2 3.39Å; L845-F849 PolarHBondContact O-N 2.86Å; L845-L883 HydrophobicContact CD2-CD2 4.45Å; L845-M886 HydrophobicContact CD2-CB 3.7Å; L845-L887 HydrophobicContact CD1-CD1 4.45Å; L845-A890 HydrophobicContact CD1-CB 4.06Å; L845-V897 HydrophobicContact CB-CG1 3.74Å; L845-V897 HydrophobicContact CD1-CB 4.26Å; L845-V897 HydrophobicContact CD1-CG1 3.64Å; L845-V897 HydrophobicContact CD1-CG2 3.56Å; L845-V897 HydrophobicContact CG-CG1 4.34Å |
| 846 | R | 82.4 | Confident | 84.5 | Confident | 103 Ų | 103 | 35 Ų | 35 | 39% | 0.389 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57.4 | -44.4 | 175.6 | -177.5 | -173.4 | -67.3 | 102.6 | 1.9 | 112.4 | E842 E843 T844 | E842-R846 VanDerWaalsContact O-CB 3.26Å; E842-R846 WeakPolarHBondContact O-CB 3.47Å; E842-R846 PolarHBondContact O-N 3.23Å; E842-R846 IonicContact OE1-CZ 3.93Å; E842-R846 IonicContact OE1-NH2 3.36Å; E842-R846 PolarHBondContact OE1-NH2 3.08Å; E843-R846 PolarHBondContact O-N 3.31Å; T844-R846 PolarHBondContact O-N 3.48Å |
| 847 | R | 81.2 | Confident | 85.2 | Confident | 105 Ų | 105 | 40.6 Ų | 40.6 | 40% | 0.396 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -70.1 | -41.3 | 179.8 | -69.9 | -179.3 | -173.8 | 177.4 | -2 | 112 | I798 E843 T844 L845 D850 L853 | I798-R847 HydrophobicContact CD1-CB 4.37Å; E843-R847 WeakPolarHBondContact O-CG 3.47Å; E843-R847 PolarHBondContact O-N 3.37Å; E843-R847 IonicContact OE1-CZ 2.89Å; E843-R847 VanDerWaalsContact OE1-CZ 3.25Å; E843-R847 IonicContact OE1-NE 3.64Å; E843-R847 PolarHBondContact OE1-NE 3.45Å; E843-R847 IonicContact OE1-NH2 3.38Å; E843-R847 PolarHBondContact OE1-NH2 2.8Å; T844-R847 PolarHBondContact O-N 3.38Å; L845-R847 VanDerWaalsContact C-N 3.33Å; L845-R847 PolarHBondContact O-N 3.46Å; R847-D850 VanDerWaalsContact O-CB 3.24Å; R847-D850 WeakPolarHBondContact O-CB 3.29Å; R847-D850 PolarHBondContact O-N 3.35Å; R847-L853 VanDerWaalsContact O-CD1 3.28Å; R847-L853 WeakPolarHBondContact O-CD1 3.28Å |
| 848 | V | 83.9 | Confident | 85.7 | Confident | 25 Ų | 25 | 42 Ų | 42 | 15% | 0.152 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -80.6 | -26.2 | -173.9 | -173.3 | 0 | 0 | 0 | 0 | 113.4 | T844 L845 D850 L855 L883 | T844-V848 HydrophobicContact CG2-CG2 4.39Å; T844-V848 WeakPolarHBondContact O-CG2 3.28Å; T844-V848 PolarHBondContact O-N 3.33Å; L845-V848 PolarHBondContact O-N 2.66Å; V848-D850 PolarHBondContact O-N 2.95Å; V848-L855 HydrophobicContact CG1-CD1 3.89Å; V848-L883 HydrophobicContact CB-CD2 3.71Å; V848-L883 HydrophobicContact CG1-CD1 3.53Å; V848-L883 HydrophobicContact CG1-CD2 3.32Å; V848-L883 HydrophobicContact CG1-CG 3.92Å; V848-L883 HydrophobicContact CG2-CD2 4.43Å |
| 849 | F | 88.3 | Confident | 86.1 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 3.4 | 171.1 | -72.9 | -62.9 | 0 | 0 | 0 | 113.7 | L845 P851 F856 L864 L887 V899 F901 F1004 | L845-F849 HydrophobicContact CB-CD2 4.08Å; L845-F849 HydrophobicContact CB-CE2 4.11Å; L845-F849 HydrophobicContact CD2-CD2 4.44Å; L845-F849 HydrophobicContact CD2-CE2 3.79Å; L845-F849 HydrophobicContact CG-CE2 4.43Å; L845-F849 WeakPolarHBondContact O-CB 3.2Å; L845-F849 WeakPolarHBondContact O-CD2 3.39Å; L845-F849 PolarHBondContact O-N 2.86Å; F849-P851 WeakPolarHBondContact O-CD 3.49Å; F849-F856 HydrophobicContact CD1-CD1 4.24Å; F849-F856 AromaticContact CD1-CD2 3.64Å; F849-F856 HydrophobicContact CD1-CD2 3.64Å; F849-F856 HydrophobicContact CD1-CE1 4.17Å; F849-F856 AromaticContact CD1-CE2 3.57Å; F849-F856 HydrophobicContact CD1-CE2 3.57Å; F849-F856 HydrophobicContact CD1-CG 4.02Å; F849-F856 AromaticContact CD1-CZ 3.85Å; F849-F856 HydrophobicContact CD1-CZ 3.85Å; F849-F856 HydrophobicContact CE1-CD1 4.46Å; F849-F856 HydrophobicContact CE1-CD2 4.09Å; F849-F856 AromaticContact CE1-CE1 3.93Å; F849-F856 HydrophobicContact CE1-CE1 3.93Å; F849-F856 AromaticContact CE1-CE2 3.51Å; F849-F856 HydrophobicContact CE1-CE2 3.51Å; F849-F856 AromaticContact CE1-CZ 3.43Å; F849-F856 HydrophobicContact CE1-CZ 3.43Å; F849-F856 VanDerWaalsContact CE1-CZ 3.43Å; F849-L864 HydrophobicContact CB-CD1 4.16Å; F849-L887 HydrophobicContact CE2-CD1 4.48Å; F849-V899 HydrophobicContact CB-CG1 4.11Å; F849-V899 HydrophobicContact CB-CG2 4.11Å; F849-V899 HydrophobicContact CD1-CG1 3.98Å; F849-V899 HydrophobicContact CD2-CB 4.16Å; F849-V899 HydrophobicContact CD2-CG1 3.77Å; F849-V899 HydrophobicContact CD2-CG2 3.33Å; F849-V899 HydrophobicContact CE1-CG1 4.34Å; F849-V899 HydrophobicContact CE2-CB 4.47Å; F849-V899 HydrophobicContact CE2-CG1 4.11Å; F849-V899 HydrophobicContact CE2-CG2 3.9Å; F849-V899 HydrophobicContact CG-CG1 3.7Å; F849-V899 HydrophobicContact CG-CG2 3.91Å; F849-V899 HydrophobicContact CZ-CG1 4.42Å; F849-F901 HydrophobicContact CD1-CE1 4.22Å; F849-F901 HydrophobicContact CD1-CZ 4.33Å; F849-F901 AromaticContact CE1-CE1 3.72Å; F849-F901 HydrophobicContact CE1-CE1 3.72Å; F849-F901 AromaticContact CE1-CZ 3.63Å; F849-F901 HydrophobicContact CE1-CZ 3.63Å; F849-F901 HydrophobicContact CE2-CZ 4.25Å; F849-F901 HydrophobicContact CZ-CE1 4.2Å; F849-F901 AromaticContact CZ-CZ 3.6Å; F849-F901 HydrophobicContact CZ-CZ 3.6Å; F849-F1004 HydrophobicContact CE1-CE2 4.37Å; F849-F1004 HydrophobicContact CZ-CE2 4.34Å |
| 850 | D | 85 | Confident | 86.4 | Confident | 71 Ų | 71 | 43.2 Ų | 43.2 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | trans | -62.1 | 122.4 | 172.2 | -175.3 | -5.6 | 0 | 0 | 0 | 110.4 | R847 V848 S852 L853 | R847-D850 VanDerWaalsContact O-CB 3.24Å; R847-D850 WeakPolarHBondContact O-CB 3.29Å; R847-D850 PolarHBondContact O-N 3.35Å; V848-D850 PolarHBondContact O-N 2.95Å; D850-S852 PolarHBondContact O-N 3.45Å; D850-S852 VanDerWaalsContact O-N 3.08Å; D850-S852 WeakPolarHBondContact OD1-CB 3.42Å; D850-S852 PolarHBondContact OD1-N 2.72Å; D850-S852 PolarHBondContact OD1-OG 3.36Å; D850-S852 PolarHBondContact OD2-OG 3.46Å; D850-L853 PolarHBondContact O-N 2.86Å; D850-L853 VanDerWaalsContact O-N 3.15Å | ||
| 851 | P | 86.9 | Confident | 86.5 | Confident | 56 Ų | 56 | 46.5 Ų | 46.5 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -54.2 | -24.6 | 174.6 | -26.1 | 34.5 | 0 | 0 | 0 | 114.7 | F849 L853 N854 F856 V858 L864 | F849-P851 WeakPolarHBondContact O-CD 3.49Å; P851-L853 PolarHBondContact O-N 3Å; P851-N854 PolarHBondContact O-N 3.02Å; P851-N854 VanDerWaalsContact O-N 3.1Å; P851-F856 WeakPolarHBondContact CA-O 3.48Å; P851-V858 HydrophobicContact CB-CG2 3.81Å; P851-V858 HydrophobicContact CG-CG2 3.2Å; P851-L864 HydrophobicContact CG-CD2 3.87Å |
| 852 | S | 87.4 | Confident | 86.6 | Confident | 88 Ų | 88 | 53.2 Ų | 53.2 | 62% | 0.615 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -59.3 | -25.6 | 178.5 | 74.5 | 0 | 0 | 0 | 0 | 113.3 | D850 N854 | D850-S852 PolarHBondContact O-N 3.45Å; D850-S852 VanDerWaalsContact O-N 3.08Å; D850-S852 WeakPolarHBondContact OD1-CB 3.42Å; D850-S852 PolarHBondContact OD1-N 2.72Å; D850-S852 PolarHBondContact OD1-OG 3.36Å; D850-S852 PolarHBondContact OD2-OG 3.46Å; S852-N854 VanDerWaalsContact C-N 3.27Å; S852-N854 PolarHBondContact O-N 3.16Å |
| 853 | L | 88 | Confident | 87.1 | Confident | 76 Ų | 76 | 57.8 Ų | 57.8 | 40% | 0.398 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -80.8 | -2 | 179.6 | -61.1 | 178.3 | 0 | 0 | 0 | 113.8 | R847 D850 P851 L855 | R847-L853 VanDerWaalsContact O-CD1 3.28Å; R847-L853 WeakPolarHBondContact O-CD1 3.28Å; D850-L853 PolarHBondContact O-N 2.86Å; D850-L853 VanDerWaalsContact O-N 3.15Å; P851-L853 PolarHBondContact O-N 3Å; L853-L855 PolarHBondContact O-N 3.31Å |
| 854 | N | 91.5 | Very high | 87.8 | Confident | 45 Ų | 45 | 56.2 Ų | 56.2 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 55.3 | 16.3 | -178.6 | -176.6 | 42.8 | 0 | 0 | 0 | 114.7 | P851 S852 S867 T869 S870 | P851-N854 PolarHBondContact O-N 3.02Å; P851-N854 VanDerWaalsContact O-N 3.1Å; S852-N854 VanDerWaalsContact C-N 3.27Å; S852-N854 PolarHBondContact O-N 3.16Å; N854-S867 WeakPolarHBondContact O-CB 3.45Å; N854-S867 PolarHBondContact O-OG 3.39Å; N854-S867 PolarHBondContact OD1-OG 3.3Å; N854-T869 PolarHBondContact ND2-O 2.81Å; N854-T869 PolarHBondContact OD1-OG1 3.39Å; N854-S870 WeakPolarHBondContact O-CA 3.4Å; N854-S870 WeakPolarHBondContact O-CB 3.46Å |
| 855 | L | 93.1 | Very high | 88.4 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -80.5 | -45.1 | 167.2 | -66.5 | 179.4 | 0 | 0 | 0 | 110.1 | V848 L853 S867 Q873 H876 L879 F880 L883 | V848-L855 HydrophobicContact CG1-CD1 3.89Å; L853-L855 PolarHBondContact O-N 3.31Å; L855-S867 WeakPolarHBondContact O-CB 3.38Å; L855-S867 PolarHBondContact O-N 3.07Å; L855-Q873 HydrophobicContact CD2-CB 4.5Å; L855-Q873 HydrophobicContact CD2-CG 4.29Å; L855-H876 HydrophobicContact CD2-CB 4.24Å; L855-L879 HydrophobicContact CD1-CB 4.29Å; L855-L879 HydrophobicContact CD1-CD1 4.25Å; L855-L879 HydrophobicContact CD2-CB 4.35Å; L855-L879 HydrophobicContact CD2-CD1 4.04Å; L855-F880 HydrophobicContact CD2-CE2 4.48Å; L855-F880 WeakPolarHBondContact O-CZ 3.35Å; L855-L883 HydrophobicContact CD1-CD1 4Å |
| 856 | F | 94.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 153.5 | 176 | -72.5 | -96.6 | 0 | 0 | 0 | 110.7 | F849 P851 L864 Y865 P866 F880 L883 F901 F905 F1004 | F849-F856 HydrophobicContact CD1-CD1 4.24Å; F849-F856 AromaticContact CD1-CD2 3.64Å; F849-F856 HydrophobicContact CD1-CD2 3.64Å; F849-F856 HydrophobicContact CD1-CE1 4.17Å; F849-F856 AromaticContact CD1-CE2 3.57Å; F849-F856 HydrophobicContact CD1-CE2 3.57Å; F849-F856 HydrophobicContact CD1-CG 4.02Å; F849-F856 AromaticContact CD1-CZ 3.85Å; F849-F856 HydrophobicContact CD1-CZ 3.85Å; F849-F856 HydrophobicContact CE1-CD1 4.46Å; F849-F856 HydrophobicContact CE1-CD2 4.09Å; F849-F856 AromaticContact CE1-CE1 3.93Å; F849-F856 HydrophobicContact CE1-CE1 3.93Å; F849-F856 AromaticContact CE1-CE2 3.51Å; F849-F856 HydrophobicContact CE1-CE2 3.51Å; F849-F856 AromaticContact CE1-CZ 3.43Å; F849-F856 HydrophobicContact CE1-CZ 3.43Å; F849-F856 VanDerWaalsContact CE1-CZ 3.43Å; P851-F856 WeakPolarHBondContact CA-O 3.48Å; F856-L864 HydrophobicContact CB-CD2 4Å; F856-L864 HydrophobicContact CD1-CB 4.34Å; F856-Y865 CarbonylContact C-O 3.49Å; F856-Y865 WeakPolarHBondContact CA-O 3.23Å; F856-Y865 WeakPolarHBondContact CD1-O 3.03Å; F856-P866 HydrophobicContact CE1-CG 4.26Å; F856-F880 HydrophobicContact CD2-CE1 4.39Å; F856-F880 HydrophobicContact CE1-CE1 4.32Å; F856-F880 HydrophobicContact CE2-CD1 4.17Å; F856-F880 AromaticContact CE2-CE1 3.73Å; F856-F880 HydrophobicContact CE2-CE1 3.73Å; F856-F880 HydrophobicContact CZ-CD1 4.01Å; F856-F880 AromaticContact CZ-CE1 3.68Å; F856-F880 HydrophobicContact CZ-CE1 3.68Å; F856-L883 HydrophobicContact CE2-CD1 3.93Å; F856-F901 HydrophobicContact CE1-CE1 4.02Å; F856-F905 HydrophobicContact CE1-CE1 4.46Å; F856-F1004 HydrophobicContact CZ-CD2 4.26Å; F856-F1004 HydrophobicContact CZ-CE2 4.1Å |
| 857 | R | 91.4 | Very high | 89.4 | Confident | 121 Ų | 121 | 51.3 Ų | 51.3 | 46% | 0.457 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 153.9 | 173.6 | -174.5 | 165.1 | 176.9 | 177.2 | 3.7 | 109.1 | L864 Y865 | R857-L864 WeakPolarHBondContact O-CA 3.31Å; R857-Y865 HydrophobicContact CB-CD1 4.44Å; R857-Y865 HydrophobicContact CB-CE1 3.84Å; R857-Y865 HydrophobicContact CB-CE2 4.36Å; R857-Y865 VanDerWaalsContact CD-OH 3.29Å; R857-Y865 WeakPolarHBondContact CD-OH 3.28Å; R857-Y865 HydrophobicContact CG-CE1 3.94Å; R857-Y865 PolarHBondContact N-O 3.27Å; R857-Y865 WeakPolarHBondContact O-CD1 3.38Å; R857-Y865 WeakPolarHBondContact O-CE1 3.47Å; R857-Y865 PolarHBondContact O-N 2.93Å |
| 858 | V | 91.5 | Very high | 90 | Very high | 40 Ų | 40 | 47 Ų | 47 | 24% | 0.242 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 135.7 | -179.2 | -167 | 0 | 0 | 0 | 0 | 109.7 | P851 Q862 R863 L864 | P851-V858 HydrophobicContact CB-CG2 3.81Å; P851-V858 HydrophobicContact CG-CG2 3.2Å; V858-Q862 HydrophobicContact CG1-CB 4.32Å; V858-R863 CarbonylContact C-O 3.59Å; V858-R863 WeakPolarHBondContact CA-O 3.39Å; V858-L864 HydrophobicContact CG2-CD2 3.95Å |
| 859 | T | 89.9 | Confident | 90.3 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | trans | -77.2 | 175.3 | 170.4 | 72.7 | 0 | 0 | 0 | 0 | 111.7 | D861 Q862 R863 Y865 A902 F904 T926 L927 | T859-D861 PolarHBondContact O-N 3.48Å; T859-D861 VanDerWaalsContact O-N 3.12Å; T859-D861 PolarHBondContact OG1-N 2.91Å; T859-Q862 PolarHBondContact O-N 3.08Å; T859-Q862 VanDerWaalsContact O-N 3.16Å; T859-R863 HydrophobicContact CG2-CB 4.38Å; T859-R863 WeakPolarHBondContact CG2-O 3.32Å; T859-R863 PolarHBondContact N-O 3.47Å; T859-R863 PolarHBondContact OG1-N 3.09Å; T859-Y865 HydrophobicContact CG2-CD1 3.55Å; T859-Y865 HydrophobicContact CG2-CE1 3.76Å; T859-A902 HydrophobicContact CG2-CB 4.02Å; T859-F904 HydrophobicContact CG2-CE1 4.11Å; T859-T926 VanDerWaalsContact CB-O 3.22Å; T859-T926 WeakPolarHBondContact CB-O 3.45Å; T859-T926 PolarHBondContact OG1-O 3.33Å; T859-L927 HydrophobicContact CG2-CD1 4.04Å | ||
| 860 | N | 84.8 | Confident | 90.6 | Very high | 88 Ų | 88 | 47.1 Ų | 47.1 | 47% | 0.471 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27.1 | 174.9 | -69.4 | -36.7 | 0 | 0 | 0 | 113.8 | L927 D928 K929 | N860-L927 PolarHBondContact ND2-O 3.23Å; N860-D928 WeakPolarHBondContact ND2-CA 3.27Å; N860-K929 PolarHBondContact ND2-N 3.22Å; N860-K929 VanDerWaalsContact ND2-N 3.19Å |
| 861 | D | 83.9 | Confident | 90.9 | Very high | 74 Ų | 74 | 49.2 Ų | 49.2 | 40% | 0.396 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 24.4 | -177.5 | -54.7 | -35 | 0 | 0 | 0 | 112.5 | T859 R863 K929 | T859-D861 PolarHBondContact O-N 3.48Å; T859-D861 VanDerWaalsContact O-N 3.12Å; T859-D861 PolarHBondContact OG1-N 2.91Å; D861-R863 VanDerWaalsContact C-N 3.31Å; D861-R863 PolarHBondContact O-N 3.2Å; D861-K929 IonicContact OD1-NZ 2.98Å; D861-K929 PolarHBondContact OD1-NZ 3.31Å |
| 862 | Q | 87.5 | Confident | 91 | Very high | 142 Ų | 142 | 51.1 Ų | 51.1 | 66% | 0.664 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 61.4 | 31.5 | 178.2 | -60.5 | -64.3 | -42.9 | 0 | 0 | 114.8 | V858 T859 | V858-Q862 HydrophobicContact CG1-CB 4.32Å; T859-Q862 PolarHBondContact O-N 3.08Å; T859-Q862 VanDerWaalsContact O-N 3.16Å |
| 863 | R | 91 | Very high | 91 | Very high | 99 Ų | 99 | 51.1 Ų | 51.1 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | trans | -104.7 | 144.7 | 177.2 | -59.4 | -61.1 | -172.2 | 132.6 | -8.1 | 112.1 | V858 T859 D861 P900 F901 A902 | V858-R863 CarbonylContact C-O 3.59Å; V858-R863 WeakPolarHBondContact CA-O 3.39Å; T859-R863 HydrophobicContact CG2-CB 4.38Å; T859-R863 WeakPolarHBondContact CG2-O 3.32Å; T859-R863 PolarHBondContact N-O 3.47Å; T859-R863 PolarHBondContact OG1-N 3.09Å; D861-R863 VanDerWaalsContact C-N 3.31Å; D861-R863 PolarHBondContact O-N 3.2Å; R863-P900 CarbonylContact C-O 3.29Å; R863-P900 WeakPolarHBondContact CA-O 3.46Å; R863-F901 PolarHBondContact NH1-O 3.17Å; R863-A902 HydrophobicContact CB-CB 3.97Å | ||
| 864 | L | 93.5 | Very high | 91 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 139.6 | -176.2 | -67.9 | 164.7 | 0 | 0 | 0 | 112.7 | F849 P851 F856 R857 V858 V899 P900 F901 A902 | F849-L864 HydrophobicContact CB-CD1 4.16Å; P851-L864 HydrophobicContact CG-CD2 3.87Å; F856-L864 HydrophobicContact CB-CD2 4Å; F856-L864 HydrophobicContact CD1-CB 4.34Å; R857-L864 WeakPolarHBondContact O-CA 3.31Å; V858-L864 HydrophobicContact CG2-CD2 3.95Å; L864-V899 HydrophobicContact CD1-CG1 3.61Å; L864-P900 PolarHBondContact N-O 3.24Å; L864-F901 HydrophobicContact CB-CD1 4.27Å; L864-F901 WeakPolarHBondContact O-CA 3.33Å; L864-A902 PolarHBondContact O-N 3.4Å |
| 865 | Y | 94.8 | Very high | 90.9 | Very high | 10 Ų | 10 | 56.5 Ų | 56.5 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 160 | 170.4 | 70 | -78.4 | 0 | 0 | 0 | 110.2 | F856 R857 T859 S867 F904 L927 | F856-Y865 CarbonylContact C-O 3.49Å; F856-Y865 WeakPolarHBondContact CA-O 3.23Å; F856-Y865 WeakPolarHBondContact CD1-O 3.03Å; R857-Y865 HydrophobicContact CB-CD1 4.44Å; R857-Y865 HydrophobicContact CB-CE1 3.84Å; R857-Y865 HydrophobicContact CB-CE2 4.36Å; R857-Y865 VanDerWaalsContact CD-OH 3.29Å; R857-Y865 WeakPolarHBondContact CD-OH 3.28Å; R857-Y865 HydrophobicContact CG-CE1 3.94Å; R857-Y865 PolarHBondContact N-O 3.27Å; R857-Y865 WeakPolarHBondContact O-CD1 3.38Å; R857-Y865 WeakPolarHBondContact O-CE1 3.47Å; R857-Y865 PolarHBondContact O-N 2.93Å; T859-Y865 HydrophobicContact CG2-CD1 3.55Å; T859-Y865 HydrophobicContact CG2-CE1 3.76Å; Y865-S867 PolarHBondContact O-N 3.23Å; Y865-F904 VanDerWaalsContact CB-CZ 3.46Å; Y865-F904 HydrophobicContact CD1-CZ 4.07Å; Y865-F904 HydrophobicContact CD2-CE2 4.16Å; Y865-F904 AromaticContact CD2-CZ 3.77Å; Y865-F904 HydrophobicContact CD2-CZ 3.77Å; Y865-F904 HydrophobicContact CG-CE1 4.49Å; Y865-F904 HydrophobicContact CG-CE2 4.15Å; Y865-F904 AromaticContact CG-CZ 3.51Å; Y865-F904 HydrophobicContact CG-CZ 3.51Å; Y865-L927 HydrophobicContact CD1-CD1 4.21Å; Y865-L927 HydrophobicContact CD2-CD1 4.48Å; Y865-L927 HydrophobicContact CE1-CD1 3.59Å; Y865-L927 HydrophobicContact CE2-CD1 3.89Å; Y865-L927 VanDerWaalsContact CZ-CD1 3.4Å |
| 866 | P | 96 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 134.4 | 179.2 | -26 | 34.8 | 0 | 0 | 0 | 112.7 | F856 P868 F880 F905 I997 Q1000 | F856-P866 HydrophobicContact CE1-CG 4.26Å; P866-P868 WeakPolarHBondContact O-CD 3.26Å; P866-F880 HydrophobicContact CB-CE1 3.79Å; P866-F880 HydrophobicContact CB-CZ 3.91Å; P866-F880 HydrophobicContact CG-CE1 4.26Å; P866-F905 VanDerWaalsContact CD-CD2 3.44Å; P866-F905 HydrophobicContact CG-CD2 3.73Å; P866-F905 HydrophobicContact CG-CE2 3.41Å; P866-F905 VanDerWaalsContact CG-CE2 3.41Å; P866-F905 HydrophobicContact CG-CZ 4Å; P866-I997 HydrophobicContact CB-CB 4.31Å; P866-I997 HydrophobicContact CB-CG2 4.49Å; P866-I997 VanDerWaalsContact O-CG2 3.27Å; P866-I997 WeakPolarHBondContact O-CG2 3.32Å; P866-Q1000 HydrophobicContact CB-CB 3.73Å; P866-Q1000 HydrophobicContact CB-CG 4.41Å |
| 867 | S | 94.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | trans | -72.2 | 127.5 | 179 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | N854 L855 Y865 T869 S870 Q1000 | N854-S867 WeakPolarHBondContact O-CB 3.45Å; N854-S867 PolarHBondContact O-OG 3.39Å; N854-S867 PolarHBondContact OD1-OG 3.3Å; L855-S867 WeakPolarHBondContact O-CB 3.38Å; L855-S867 PolarHBondContact O-N 3.07Å; Y865-S867 PolarHBondContact O-N 3.23Å; S867-T869 PolarHBondContact O-N 3.32Å; S867-T869 PolarHBondContact OG-N 3.01Å; S867-T869 PolarHBondContact OG-OG1 3.03Å; S867-T869 VanDerWaalsContact OG-OG1 3.04Å; S867-S870 VanDerWaalsContact O-CB 3.29Å; S867-S870 WeakPolarHBondContact O-CB 3.45Å; S867-S870 PolarHBondContact O-N 3.14Å; S867-S870 VanDerWaalsContact O-N 3.17Å; S867-S870 PolarHBondContact O-OG 3.21Å; S867-Q1000 PolarHBondContact O-NE2 2.79Å | ||
| 868 | P | 92.2 | Very high | 90.9 | Very high | 14 Ų | 14 | 60.1 Ų | 60.1 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -58.6 | -32.4 | 171.5 | -24.7 | 34.7 | 0 | 0 | 0 | 113.1 | P866 S870 H871 Q996 I997 | P866-P868 WeakPolarHBondContact O-CD 3.26Å; P868-S870 VanDerWaalsContact C-N 3.32Å; P868-S870 PolarHBondContact O-N 3.26Å; P868-H871 PolarHBondContact O-ND1 3.5Å; P868-Q996 HydrophobicContact CB-CB 4.4Å; P868-I997 HydrophobicContact CG-CG2 4Å |
| 869 | T | 91.8 | Very high | 90.9 | Very high | 36 Ų | 36 | 59.7 Ų | 59.7 | 22% | 0.221 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -90 | 10.1 | -179.9 | 49.4 | 0 | 0 | 0 | 0 | 113.5 | N854 S867 H871 L872 | N854-T869 PolarHBondContact ND2-O 2.81Å; N854-T869 PolarHBondContact OD1-OG1 3.39Å; S867-T869 PolarHBondContact O-N 3.32Å; S867-T869 PolarHBondContact OG-N 3.01Å; S867-T869 PolarHBondContact OG-OG1 3.03Å; S867-T869 VanDerWaalsContact OG-OG1 3.04Å; T869-H871 PolarHBondContact O-N 3.42Å; T869-H871 VanDerWaalsContact O-N 3.12Å; T869-L872 WeakPolarHBondContact O-CB 3.11Å; T869-L872 VanDerWaalsContact O-CG 3.28Å; T869-L872 WeakPolarHBondContact O-CG 3.4Å; T869-L872 PolarHBondContact O-N 3.44Å; T869-L872 VanDerWaalsContact O-N 3.11Å |
| 870 | S | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -61.6 | -19.3 | 177.8 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | N854 S867 P868 L872 Q873 H876 Q1000 | N854-S870 WeakPolarHBondContact O-CA 3.4Å; N854-S870 WeakPolarHBondContact O-CB 3.46Å; S867-S870 VanDerWaalsContact O-CB 3.29Å; S867-S870 WeakPolarHBondContact O-CB 3.45Å; S867-S870 PolarHBondContact O-N 3.14Å; S867-S870 VanDerWaalsContact O-N 3.17Å; S867-S870 PolarHBondContact O-OG 3.21Å; P868-S870 VanDerWaalsContact C-N 3.32Å; P868-S870 PolarHBondContact O-N 3.26Å; S870-L872 PolarHBondContact O-N 3.49Å; S870-L872 VanDerWaalsContact O-N 3.14Å; S870-Q873 WeakPolarHBondContact O-CB 3.3Å; S870-Q873 PolarHBondContact O-N 2.94Å; S870-H876 VanDerWaalsContact C-ND1 3.32Å; S870-H876 WeakPolarHBondContact CB-ND1 3.17Å; S870-H876 WeakPolarHBondContact O-CB 3.25Å; S870-H876 VanDerWaalsContact O-CG 3.27Å; S870-H876 PolarHBondContact O-ND1 3.1Å; S870-H876 PolarHBondContact OG-ND1 3.11Å; S870-Q1000 VanDerWaalsContact OG-CG 3.25Å; S870-Q1000 WeakPolarHBondContact OG-CG 3.49Å; S870-Q1000 PolarHBondContact OG-NE2 3.23Å; S870-Q1000 VanDerWaalsContact OG-NE2 3.12Å |
| 871 | H | 91.1 | Very high | 91.6 | Very high | 114 Ų | 114 | 57 Ų | 57 | 53% | 0.528 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -62.4 | -15.8 | 174.8 | 64.4 | -91.3 | 0 | 0 | 0 | 113.5 | P868 T869 Q873 H876 | P868-H871 PolarHBondContact O-ND1 3.5Å; T869-H871 PolarHBondContact O-N 3.42Å; T869-H871 VanDerWaalsContact O-N 3.12Å; H871-Q873 PolarHBondContact O-N 2.97Å; H871-H876 PolarHBondContact N-ND1 3.4Å |
| 872 | L | 90.2 | Very high | 91.9 | Very high | 97 Ų | 97 | 54.1 Ų | 54.1 | 51% | 0.508 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -68.4 | -19.8 | 170.6 | -61.5 | 175.9 | 0 | 0 | 0 | 112.5 | T869 S870 L959 | T869-L872 WeakPolarHBondContact O-CB 3.11Å; T869-L872 VanDerWaalsContact O-CG 3.28Å; T869-L872 WeakPolarHBondContact O-CG 3.4Å; T869-L872 PolarHBondContact O-N 3.44Å; T869-L872 VanDerWaalsContact O-N 3.11Å; S870-L872 PolarHBondContact O-N 3.49Å; S870-L872 VanDerWaalsContact O-N 3.14Å; L872-L959 HydrophobicContact CD1-CD1 4.14Å |
| 873 | Q | 87.7 | Confident | 92.2 | Very high | 87 Ų | 87 | 47.4 Ų | 47.4 | 41% | 0.407 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -90.4 | 136.7 | 174.9 | -178.7 | 64.4 | -33.4 | 0 | 0 | 110.7 | L855 S870 H871 S875 H876 L879 | L855-Q873 HydrophobicContact CD2-CB 4.5Å; L855-Q873 HydrophobicContact CD2-CG 4.29Å; S870-Q873 WeakPolarHBondContact O-CB 3.3Å; S870-Q873 PolarHBondContact O-N 2.94Å; H871-Q873 PolarHBondContact O-N 2.97Å; Q873-S875 PolarHBondContact O-N 3.4Å; Q873-H876 HydrophobicContact CB-CB 4.29Å; Q873-H876 PolarHBondContact O-N 2.91Å; Q873-L879 HydrophobicContact CG-CD1 3.9Å |
| 874 | E | 87.8 | Confident | 92.3 | Very high | 165 Ų | 165 | 42.7 Ų | 42.7 | 77% | 0.771 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 137.2 | 176.7 | -66.9 | -174 | 178.4 | 0 | 0 | 111.2 | H876 | E874-H876 PolarHBondContact O-N 2.93Š|
| 875 | S | 88.4 | Confident | 92.3 | Very high | 69 Ų | 69 | 43.4 Ų | 43.4 | 48% | 0.483 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 27.3 | 177.4 | -61 | 0 | 0 | 0 | 0 | 114.5 | Q873 L877 Q878 L879 | Q873-S875 PolarHBondContact O-N 3.4Å; S875-L877 PolarHBondContact O-N 3.45Å; S875-Q878 WeakPolarHBondContact O-CA 3.45Å; S875-Q878 WeakPolarHBondContact O-CB 3.4Å; S875-Q878 PolarHBondContact O-N 3.07Å; S875-L879 PolarHBondContact O-N 3.34Å; S875-L879 VanDerWaalsContact O-N 3.08Å |
| 876 | H | 93.4 | Very high | 92.2 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 13% | 0.125 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -51.7 | -36.9 | -175.7 | 78.6 | 127.6 | 0 | 0 | 0 | 114 | L855 S870 H871 Q873 E874 Q878 L879 F880 | L855-H876 HydrophobicContact CD2-CB 4.24Å; S870-H876 VanDerWaalsContact C-ND1 3.32Å; S870-H876 WeakPolarHBondContact CB-ND1 3.17Å; S870-H876 WeakPolarHBondContact O-CB 3.25Å; S870-H876 VanDerWaalsContact O-CG 3.27Å; S870-H876 PolarHBondContact O-ND1 3.1Å; S870-H876 PolarHBondContact OG-ND1 3.11Å; H871-H876 PolarHBondContact N-ND1 3.4Å; Q873-H876 HydrophobicContact CB-CB 4.29Å; Q873-H876 PolarHBondContact O-N 2.91Å; E874-H876 PolarHBondContact O-N 2.93Å; H876-Q878 PolarHBondContact O-N 3.41Å; H876-L879 WeakPolarHBondContact O-CB 3.33Å; H876-L879 PolarHBondContact O-N 2.98Å; H876-F880 AromaticContact ND1-CE2 3.95Å; H876-F880 WeakPolarHBondContact O-CD2 3.36Å; H876-F880 PolarHBondContact O-N 2.99Å |
| 877 | L | 95.2 | Very high | 92.1 | Very high | 62 Ų | 62 | 43.1 Ų | 43.1 | 33% | 0.325 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66 | -35.8 | 177.2 | -62.7 | -174.4 | 0 | 0 | 0 | 113.1 | S875 L879 E881 A999 S1003 | S875-L877 PolarHBondContact O-N 3.45Å; L877-L879 VanDerWaalsContact C-N 3.35Å; L877-E881 PolarHBondContact O-N 3.44Å; L877-E881 VanDerWaalsContact O-N 3.13Å; L877-A999 HydrophobicContact CD2-CB 3.88Å; L877-S1003 VanDerWaalsContact O-CB 3.23Å; L877-S1003 WeakPolarHBondContact O-CB 3.43Å; L877-S1003 PolarHBondContact O-OG 3.43Å |
| 878 | Q | 91.5 | Very high | 92.1 | Very high | 116 Ų | 116 | 43 Ų | 43 | 54% | 0.542 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70.4 | -37.5 | 174.6 | -63 | 176.4 | 0.2 | 0 | 0 | 110.1 | S875 H876 E881 F882 | S875-Q878 WeakPolarHBondContact O-CA 3.45Å; S875-Q878 WeakPolarHBondContact O-CB 3.4Å; S875-Q878 PolarHBondContact O-N 3.07Å; H876-Q878 PolarHBondContact O-N 3.41Å; Q878-E881 PolarHBondContact O-N 2.89Å; Q878-F882 WeakPolarHBondContact O-CB 3.46Å; Q878-F882 PolarHBondContact O-N 3.17Å |
| 879 | L | 91.3 | Very high | 92.1 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 173.3 | -63.9 | 173 | 0 | 0 | 0 | 111.5 | Y801 L855 Q873 S875 H876 L877 E881 F882 L883 | Y801-L879 HydrophobicContact CE2-CD2 3.73Å; Y801-L879 WeakPolarHBondContact OH-CD2 3.3Å; L855-L879 HydrophobicContact CD1-CB 4.29Å; L855-L879 HydrophobicContact CD1-CD1 4.25Å; L855-L879 HydrophobicContact CD2-CB 4.35Å; L855-L879 HydrophobicContact CD2-CD1 4.04Å; Q873-L879 HydrophobicContact CG-CD1 3.9Å; S875-L879 PolarHBondContact O-N 3.34Å; S875-L879 VanDerWaalsContact O-N 3.08Å; H876-L879 WeakPolarHBondContact O-CB 3.33Å; H876-L879 PolarHBondContact O-N 2.98Å; L877-L879 VanDerWaalsContact C-N 3.35Å; L879-E881 PolarHBondContact O-N 3.23Å; L879-F882 PolarHBondContact O-N 3.05Å; L879-L883 WeakPolarHBondContact O-CB 3.35Å; L879-L883 VanDerWaalsContact O-CG 3.24Å; L879-L883 WeakPolarHBondContact O-CG 3.4Å; L879-L883 PolarHBondContact O-N 2.91Å |
| 880 | F | 95 | Very high | 92 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.1 | -80.9 | -68.9 | 0 | 0 | 0 | 112.8 | L855 F856 P866 H876 L883 G884 Q1000 F1004 | L855-F880 HydrophobicContact CD2-CE2 4.48Å; L855-F880 WeakPolarHBondContact O-CZ 3.35Å; F856-F880 HydrophobicContact CD2-CE1 4.39Å; F856-F880 HydrophobicContact CE1-CE1 4.32Å; F856-F880 HydrophobicContact CE2-CD1 4.17Å; F856-F880 AromaticContact CE2-CE1 3.73Å; F856-F880 HydrophobicContact CE2-CE1 3.73Å; F856-F880 HydrophobicContact CZ-CD1 4.01Å; F856-F880 AromaticContact CZ-CE1 3.68Å; F856-F880 HydrophobicContact CZ-CE1 3.68Å; P866-F880 HydrophobicContact CB-CE1 3.79Å; P866-F880 HydrophobicContact CB-CZ 3.91Å; P866-F880 HydrophobicContact CG-CE1 4.26Å; H876-F880 AromaticContact ND1-CE2 3.95Å; H876-F880 WeakPolarHBondContact O-CD2 3.36Å; H876-F880 PolarHBondContact O-N 2.99Å; F880-L883 PolarHBondContact O-N 3.17Å; F880-G884 PolarHBondContact O-N 3.36Å; F880-Q1000 HydrophobicContact CD1-CB 4.34Å; F880-Q1000 HydrophobicContact CD2-CB 3.71Å; F880-Q1000 HydrophobicContact CD2-CG 3.8Å; F880-Q1000 HydrophobicContact CE1-CB 4.13Å; F880-Q1000 HydrophobicContact CE2-CB 3.5Å; F880-Q1000 HydrophobicContact CE2-CG 3.26Å; F880-Q1000 HydrophobicContact CG-CB 4.14Å; F880-Q1000 HydrophobicContact CZ-CB 3.69Å; F880-Q1000 HydrophobicContact CZ-CG 3.71Å; F880-F1004 HydrophobicContact CB-CB 4.27Å; F880-F1004 HydrophobicContact CD1-CB 4.46Å; F880-F1004 HydrophobicContact CD1-CD2 4.26Å; F880-F1004 WeakPolarHBondContact O-CA 3.25Å; F880-F1004 WeakPolarHBondContact O-CD2 3.17Å |
| 881 | E | 93.8 | Very high | 92 | Very high | 39 Ų | 39 | 40.9 Ų | 40.9 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 175.9 | 178.8 | 178.6 | -166.5 | 0 | 0 | 111.9 | L877 Q878 L879 L883 G884 K885 S1003 R1006 G1007 | L877-E881 PolarHBondContact O-N 3.44Å; L877-E881 VanDerWaalsContact O-N 3.13Å; Q878-E881 PolarHBondContact O-N 2.89Å; L879-E881 PolarHBondContact O-N 3.23Å; E881-L883 VanDerWaalsContact C-N 3.33Å; E881-L883 PolarHBondContact O-N 3.37Å; E881-G884 PolarHBondContact O-N 2.91Å; E881-K885 WeakPolarHBondContact O-CG 3.26Å; E881-K885 PolarHBondContact O-N 2.73Å; E881-S1003 VanDerWaalsContact CA-O 3.22Å; E881-S1003 WeakPolarHBondContact CA-O 3.35Å; E881-S1003 WeakPolarHBondContact CB-O 3.43Å; E881-R1006 VanDerWaalsContact CD-NE 3.33Å; E881-R1006 IonicContact OE1-CZ 2.81Å; E881-R1006 IonicContact OE1-NE 3.23Å; E881-R1006 PolarHBondContact OE1-NE 3.4Å; E881-R1006 IonicContact OE1-NH2 3.78Å; E881-R1006 IonicContact OE2-CZ 2.85Å; E881-R1006 IonicContact OE2-NE 2.67Å; E881-R1006 PolarHBondContact OE2-NE 2.84Å; E881-R1006 IonicContact OE2-NH2 3.06Å; E881-R1006 PolarHBondContact OE2-NH2 2.92Å; E881-G1007 VanDerWaalsContact O-CA 3.29Å; E881-G1007 WeakPolarHBondContact O-CA 3.48Å |
| 882 | F | 91.1 | Very high | 92 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 5% | 0.053 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -44.8 | 174.8 | 176.9 | -98.1 | 0 | 0 | 0 | 111.7 | Y801 L804 A805 Q878 L879 G884 K885 M886 | Y801-F882 AromaticContact CD2-CD1 3.56Å; Y801-F882 HydrophobicContact CD2-CD1 3.56Å; Y801-F882 HydrophobicContact CD2-CD2 4.27Å; Y801-F882 AromaticContact CD2-CE1 3.44Å; Y801-F882 HydrophobicContact CD2-CE1 3.44Å; Y801-F882 VanDerWaalsContact CD2-CE1 3.44Å; Y801-F882 HydrophobicContact CD2-CE2 4.16Å; Y801-F882 AromaticContact CD2-CG 3.97Å; Y801-F882 HydrophobicContact CD2-CG 3.97Å; Y801-F882 AromaticContact CD2-CZ 3.75Å; Y801-F882 HydrophobicContact CD2-CZ 3.75Å; Y801-F882 HydrophobicContact CE2-CB 4.04Å; Y801-F882 AromaticContact CE2-CD1 3.49Å; Y801-F882 HydrophobicContact CE2-CD1 3.49Å; Y801-F882 VanDerWaalsContact CE2-CD1 3.49Å; Y801-F882 HydrophobicContact CE2-CD2 4.06Å; Y801-F882 AromaticContact CE2-CE1 3.9Å; Y801-F882 HydrophobicContact CE2-CE1 3.9Å; Y801-F882 HydrophobicContact CE2-CE2 4.41Å; Y801-F882 AromaticContact CE2-CG 3.57Å; Y801-F882 HydrophobicContact CE2-CG 3.57Å; Y801-F882 HydrophobicContact CE2-CZ 4.33Å; L804-F882 HydrophobicContact CB-CE2 3.67Å; L804-F882 HydrophobicContact CB-CZ 3.99Å; L804-F882 HydrophobicContact CD1-CZ 4.19Å; A805-F882 HydrophobicContact CB-CD2 3.98Å; A805-F882 HydrophobicContact CB-CE2 4.18Å; Q878-F882 WeakPolarHBondContact O-CB 3.46Å; Q878-F882 PolarHBondContact O-N 3.17Å; L879-F882 PolarHBondContact O-N 3.05Å; F882-G884 VanDerWaalsContact C-N 3.33Å; F882-G884 PolarHBondContact O-N 3.43Å; F882-K885 WeakPolarHBondContact O-CA 3.39Å; F882-K885 WeakPolarHBondContact O-CB 3.41Å; F882-K885 PolarHBondContact O-N 3.19Å; F882-K885 VanDerWaalsContact O-N 3.11Å; F882-M886 HydrophobicContact CD1-CG 4.01Å; F882-M886 HydrophobicContact CD2-CE 4.43Å; F882-M886 HydrophobicContact CD2-CG 4.49Å; F882-M886 HydrophobicContact CE1-CG 3.46Å; F882-M886 VanDerWaalsContact CE1-CG 3.46Å; F882-M886 HydrophobicContact CE1-SD 4.35Å; F882-M886 HydrophobicContact CE2-CE 3.85Å; F882-M886 HydrophobicContact CE2-CG 4.02Å; F882-M886 HydrophobicContact CE2-SD 4.1Å; F882-M886 HydrophobicContact CZ-CE 4.14Å; F882-M886 HydrophobicContact CZ-CG 3.47Å; F882-M886 VanDerWaalsContact CZ-CG 3.47Å; F882-M886 HydrophobicContact CZ-SD 3.75Å; F882-M886 WeakPolarHBondContact O-CG 3.18Å; F882-M886 PolarHBondContact O-N 3.46Å |
| 883 | L | 92.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 177.9 | -70.9 | 166.3 | 0 | 0 | 0 | 112.6 | L845 V848 L855 F856 L879 F880 E881 K885 M886 L887 F1004 | L845-L883 HydrophobicContact CD2-CD2 4.45Å; V848-L883 HydrophobicContact CB-CD2 3.71Å; V848-L883 HydrophobicContact CG1-CD1 3.53Å; V848-L883 HydrophobicContact CG1-CD2 3.32Å; V848-L883 HydrophobicContact CG1-CG 3.92Å; V848-L883 HydrophobicContact CG2-CD2 4.43Å; L855-L883 HydrophobicContact CD1-CD1 4Å; F856-L883 HydrophobicContact CE2-CD1 3.93Å; L879-L883 WeakPolarHBondContact O-CB 3.35Å; L879-L883 VanDerWaalsContact O-CG 3.24Å; L879-L883 WeakPolarHBondContact O-CG 3.4Å; L879-L883 PolarHBondContact O-N 2.91Å; F880-L883 PolarHBondContact O-N 3.17Å; E881-L883 VanDerWaalsContact C-N 3.33Å; E881-L883 PolarHBondContact O-N 3.37Å; L883-K885 VanDerWaalsContact C-N 3.32Å; L883-K885 PolarHBondContact O-N 3.49Å; L883-M886 PolarHBondContact O-N 2.91Å; L883-L887 WeakPolarHBondContact O-CB 3.37Å; L883-L887 PolarHBondContact O-N 3.31Å; L883-F1004 HydrophobicContact CB-CD2 4.23Å; L883-F1004 HydrophobicContact CB-CE2 3.97Å |
| 884 | G | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56 | -48 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F880 E881 F882 A888 F1004 F1008 | F880-G884 PolarHBondContact O-N 3.36Å; E881-G884 PolarHBondContact O-N 2.91Å; F882-G884 VanDerWaalsContact C-N 3.33Å; F882-G884 PolarHBondContact O-N 3.43Å; G884-A888 VanDerWaalsContact O-CB 3.27Å; G884-A888 WeakPolarHBondContact O-CB 3.48Å; G884-A888 PolarHBondContact O-N 2.93Å; G884-F1004 WeakPolarHBondContact CA-O 3.35Å; G884-F1008 VanDerWaalsContact O-CA 3.27Å; G884-F1008 WeakPolarHBondContact O-CA 3.49Å |
| 885 | K | 92.9 | Very high | 91.6 | Very high | 30 Ų | 30 | 24.3 Ų | 24.3 | 13% | 0.13 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.9 | -48.2 | 175.4 | -69.3 | 174.8 | 178.3 | -179.9 | 0 | 111.7 | L812 E881 F882 L883 A888 K889 G1007 I1011 | L812-K885 HydrophobicContact CD1-CB 4.27Å; L812-K885 HydrophobicContact CD1-CD 3.84Å; L812-K885 HydrophobicContact CD1-CG 4.39Å; E881-K885 WeakPolarHBondContact O-CG 3.26Å; E881-K885 PolarHBondContact O-N 2.73Å; F882-K885 WeakPolarHBondContact O-CA 3.39Å; F882-K885 WeakPolarHBondContact O-CB 3.41Å; F882-K885 PolarHBondContact O-N 3.19Å; F882-K885 VanDerWaalsContact O-N 3.11Å; L883-K885 VanDerWaalsContact C-N 3.32Å; L883-K885 PolarHBondContact O-N 3.49Å; K885-A888 PolarHBondContact O-N 2.79Å; K885-K889 WeakPolarHBondContact O-CB 3.35Å; K885-K889 PolarHBondContact O-N 3.46Å; K885-G1007 WeakPolarHBondContact CG-O 3.49Å; K885-I1011 HydrophobicContact CB-CD1 4.17Å; K885-I1011 WeakPolarHBondContact O-CD1 3.37Å |
| 886 | M | 91.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.015 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.8 | -41.8 | -176.6 | -66.9 | -56.2 | 102.2 | 0 | 0 | 112.4 | L804 L812 L841 L845 F882 L883 K889 A890 | L804-M886 HydrophobicContact CB-CE 4.46Å; L804-M886 HydrophobicContact CD1-CE 4.34Å; L804-M886 HydrophobicContact CD1-SD 3.6Å; L812-M886 HydrophobicContact CD1-CE 4.31Å; L812-M886 HydrophobicContact CD2-CE 3.92Å; L841-M886 HydrophobicContact CD1-CB 4.18Å; L841-M886 HydrophobicContact CD1-SD 4.23Å; L845-M886 HydrophobicContact CD2-CB 3.7Å; F882-M886 HydrophobicContact CD1-CG 4.01Å; F882-M886 HydrophobicContact CD2-CE 4.43Å; F882-M886 HydrophobicContact CD2-CG 4.49Å; F882-M886 HydrophobicContact CE1-CG 3.46Å; F882-M886 VanDerWaalsContact CE1-CG 3.46Å; F882-M886 HydrophobicContact CE1-SD 4.35Å; F882-M886 HydrophobicContact CE2-CE 3.85Å; F882-M886 HydrophobicContact CE2-CG 4.02Å; F882-M886 HydrophobicContact CE2-SD 4.1Å; F882-M886 HydrophobicContact CZ-CE 4.14Å; F882-M886 HydrophobicContact CZ-CG 3.47Å; F882-M886 VanDerWaalsContact CZ-CG 3.47Å; F882-M886 HydrophobicContact CZ-SD 3.75Å; F882-M886 WeakPolarHBondContact O-CG 3.18Å; F882-M886 PolarHBondContact O-N 3.46Å; L883-M886 PolarHBondContact O-N 2.91Å; M886-K889 PolarHBondContact O-N 3.47Å; M886-A890 PolarHBondContact O-N 2.85Å |
| 887 | L | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 174.6 | -173.3 | 68.1 | 0 | 0 | 0 | 111.3 | L845 F849 L883 K889 A890 V891 V897 F901 F1004 F1008 I1029 | L845-L887 HydrophobicContact CD1-CD1 4.45Å; F849-L887 HydrophobicContact CE2-CD1 4.48Å; L883-L887 WeakPolarHBondContact O-CB 3.37Å; L883-L887 PolarHBondContact O-N 3.31Å; L887-K889 VanDerWaalsContact C-N 3.31Å; L887-K889 PolarHBondContact O-N 3.03Å; L887-A890 WeakPolarHBondContact O-CB 3.32Å; L887-A890 PolarHBondContact O-N 3.32Å; L887-V891 WeakPolarHBondContact O-CG2 3.36Å; L887-V891 PolarHBondContact O-N 2.94Å; L887-V897 HydrophobicContact CD1-CB 4.29Å; L887-V897 HydrophobicContact CD1-CG2 4.2Å; L887-F901 HydrophobicContact CD1-CE2 4.41Å; L887-F901 HydrophobicContact CD2-CE2 3.6Å; L887-F901 HydrophobicContact CD2-CZ 3.79Å; L887-F1004 HydrophobicContact CB-CZ 4.33Å; L887-F1004 HydrophobicContact CD2-CE1 4.18Å; L887-F1004 HydrophobicContact CD2-CZ 3.66Å; L887-F1008 HydrophobicContact CB-CD2 4.34Å; L887-F1008 HydrophobicContact CB-CE2 4.41Å; L887-F1008 HydrophobicContact CD2-CD2 4.31Å; L887-F1008 HydrophobicContact CD2-CE2 3.98Å; L887-F1008 HydrophobicContact CG-CD2 4.44Å; L887-F1008 HydrophobicContact CG-CE2 4.06Å; L887-I1029 HydrophobicContact CD1-CG2 3.84Å; L887-I1029 HydrophobicContact CD2-CD1 4.28Å |
| 888 | A | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.9 | -36.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G884 K885 V891 Y892 F1008 I1011 L1012 | G884-A888 VanDerWaalsContact O-CB 3.27Å; G884-A888 WeakPolarHBondContact O-CB 3.48Å; G884-A888 PolarHBondContact O-N 2.93Å; K885-A888 PolarHBondContact O-N 2.79Å; A888-V891 PolarHBondContact O-N 3.49Å; A888-Y892 VanDerWaalsContact O-CB 3.26Å; A888-Y892 WeakPolarHBondContact O-CB 3.3Å; A888-Y892 PolarHBondContact O-N 3.26Å; A888-F1008 HydrophobicContact CB-CB 4.45Å; A888-F1008 HydrophobicContact CB-CD2 3.61Å; A888-F1008 HydrophobicContact CB-CE2 4.02Å; A888-F1008 HydrophobicContact CB-CG 4.05Å; A888-F1008 WeakPolarHBondContact CB-O 3.5Å; A888-I1011 HydrophobicContact CB-CB 3.82Å; A888-I1011 HydrophobicContact CB-CD1 4.43Å; A888-I1011 HydrophobicContact CB-CG1 4.45Å; A888-I1011 HydrophobicContact CB-CG2 4.33Å; A888-L1012 HydrophobicContact CB-CD1 3.88Å; A888-L1012 HydrophobicContact CB-CG 4Å |
| 889 | K | 92.1 | Very high | 90 | Very high | 1 Ų | 1 | 16 Ų | 16 | 0% | 0.004 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 172.8 | -179.7 | 56.5 | 169.8 | -175.7 | 0 | 111.3 | L812 M814 F837 L841 K885 M886 L887 V891 Y892 E893 I1011 | L812-K889 WeakPolarHBondContact O-CD 3.34Å; L812-K889 WeakPolarHBondContact O-CE 3.4Å; L812-K889 PolarHBondContact O-NZ 3.06Å; M814-K889 PolarHBondContact O-NZ 3.41Å; F837-K889 HydrophobicContact CE1-CG 4.34Å; F837-K889 HydrophobicContact CZ-CD 4.35Å; F837-K889 HydrophobicContact CZ-CG 3.78Å; L841-K889 HydrophobicContact CD2-CG 4.47Å; K885-K889 WeakPolarHBondContact O-CB 3.35Å; K885-K889 PolarHBondContact O-N 3.46Å; M886-K889 PolarHBondContact O-N 3.47Å; L887-K889 VanDerWaalsContact C-N 3.31Å; L887-K889 PolarHBondContact O-N 3.03Å; K889-V891 PolarHBondContact O-N 3.42Å; K889-Y892 PolarHBondContact O-N 3.42Å; K889-E893 HydrophobicContact CD-CG 3.97Å; K889-E893 WeakPolarHBondContact CE-OE1 3.45Å; K889-E893 IonicContact NZ-OE1 2.82Å; K889-E893 PolarHBondContact NZ-OE1 3.43Å; K889-E893 WeakPolarHBondContact O-CG 3.37Å; K889-E893 PolarHBondContact O-N 2.89Å; K889-I1011 HydrophobicContact CB-CD1 3.89Å |
| 890 | A | 90.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.9 | -48.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L841 L845 M886 L887 Y892 E893 C894 I895 V897 | L841-A890 HydrophobicContact CD2-CB 3.61Å; L841-A890 HydrophobicContact CG-CB 4.28Å; L845-A890 HydrophobicContact CD1-CB 4.06Å; M886-A890 PolarHBondContact O-N 2.85Å; L887-A890 WeakPolarHBondContact O-CB 3.32Å; L887-A890 PolarHBondContact O-N 3.32Å; A890-Y892 PolarHBondContact O-N 3.43Å; A890-E893 CarbonylContact O-C 3.53Å; A890-E893 PolarHBondContact O-N 3.27Å; A890-C894 PolarHBondContact O-N 2.86Å; A890-C894 VanDerWaalsContact O-N 3.1Å; A890-I895 HydrophobicContact CB-CB 4.28Å; A890-I895 PolarHBondContact O-N 3.08Å; A890-V897 HydrophobicContact CB-CG2 3.42Å; A890-V897 VanDerWaalsContact CB-CG2 3.42Å |
| 891 | V | 92.7 | Very high | 89.8 | Confident | 4 Ų | 4 | 16.7 Ų | 16.7 | 2% | 0.024 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63 | -39.8 | 177.3 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | F761 L887 A888 K889 E893 C894 L1012 L1028 I1029 | F761-V891 HydrophobicContact CE1-CG1 4.1Å; F761-V891 HydrophobicContact CZ-CG1 3.75Å; L887-V891 WeakPolarHBondContact O-CG2 3.36Å; L887-V891 PolarHBondContact O-N 2.94Å; A888-V891 PolarHBondContact O-N 3.49Å; K889-V891 PolarHBondContact O-N 3.42Å; V891-E893 VanDerWaalsContact C-N 3.31Å; V891-E893 PolarHBondContact O-N 2.88Å; V891-C894 PolarHBondContact O-N 3.38Å; V891-C894 VanDerWaalsContact O-N 3.09Å; V891-L1012 HydrophobicContact CB-CD1 3.99Å; V891-L1012 HydrophobicContact CG1-CD1 3.81Å; V891-L1012 HydrophobicContact CG1-CD2 4.45Å; V891-L1028 HydrophobicContact CG1-CD2 4.06Å; V891-L1028 HydrophobicContact CG1-CG 4.23Å; V891-I1029 HydrophobicContact CG2-CG1 3.86Å |
| 892 | Y | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.6 | -30.2 | 176.3 | -172.8 | -97.4 | 0 | 0 | 0 | 113.2 | V765 D768 K769 R813 A888 K889 A890 C894 I1011 L1012 W1016 | V765-Y892 HydrophobicContact CG1-CD2 3.89Å; V765-Y892 HydrophobicContact CG1-CE2 3.94Å; V765-Y892 HydrophobicContact CG1-CG 4.23Å; V765-Y892 VanDerWaalsContact CG1-O 3.22Å; V765-Y892 WeakPolarHBondContact CG1-O 3.29Å; V765-Y892 HydrophobicContact CG2-CD2 4.19Å; D768-Y892 HydrophobicContact CB-CE2 4.42Å; D768-Y892 VanDerWaalsContact OD2-CE2 3.3Å; D768-Y892 WeakPolarHBondContact OD2-CE2 3.37Å; D768-Y892 PolarHBondContact OD2-OH 2.69Å; K769-Y892 HydrophobicContact CD-CE1 4.14Å; K769-Y892 WeakPolarHBondContact CE-O 3.38Å; K769-Y892 HydrophobicContact CG-CE1 3.71Å; K769-Y892 VanDerWaalsContact CG-OH 3.28Å; K769-Y892 WeakPolarHBondContact CG-OH 3.49Å; K769-Y892 PolarHBondContact N-OH 2.96Å; K769-Y892 PolarHBondContact NZ-O 3.37Å; R813-Y892 HydrophobicContact CB-CE1 4.21Å; R813-Y892 HydrophobicContact CG-CE1 4.49Å; R813-Y892 WeakPolarHBondContact O-CE1 3.49Å; A888-Y892 VanDerWaalsContact O-CB 3.26Å; A888-Y892 WeakPolarHBondContact O-CB 3.3Å; A888-Y892 PolarHBondContact O-N 3.26Å; K889-Y892 PolarHBondContact O-N 3.42Å; A890-Y892 PolarHBondContact O-N 3.43Å; Y892-C894 VanDerWaalsContact C-N 3.34Å; Y892-I1011 HydrophobicContact CD2-CG2 4.37Å; Y892-I1011 HydrophobicContact CG-CG2 4.2Å; Y892-L1012 HydrophobicContact CD2-CD2 4.12Å; Y892-W1016 HydrophobicContact CE2-CZ3 4.4Å |
| 893 | E | 86.9 | Confident | 89.8 | Confident | 48 Ų | 48 | 16.3 Ų | 16.3 | 22% | 0.224 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 4.7 | 173.1 | -60.7 | -54.8 | 155.8 | 0 | 0 | 113.5 | K769 F837 K889 A890 V891 I895 | K769-E893 IonicContact NZ-OE1 3.73Å; K769-E893 IonicContact NZ-OE2 2.73Å; K769-E893 PolarHBondContact NZ-OE2 2.73Å; F837-E893 HydrophobicContact CE1-CG 4.15Å; K889-E893 HydrophobicContact CD-CG 3.97Å; K889-E893 WeakPolarHBondContact CE-OE1 3.45Å; K889-E893 IonicContact NZ-OE1 2.82Å; K889-E893 PolarHBondContact NZ-OE1 3.43Å; K889-E893 WeakPolarHBondContact O-CG 3.37Å; K889-E893 PolarHBondContact O-N 2.89Å; A890-E893 CarbonylContact O-C 3.53Å; A890-E893 PolarHBondContact O-N 3.27Å; V891-E893 VanDerWaalsContact C-N 3.31Å; V891-E893 PolarHBondContact O-N 2.88Å; E893-I895 HydrophobicContact CB-CD1 3.67Å; E893-I895 HydrophobicContact CB-CG1 3.81Å; E893-I895 HydrophobicContact CG-CD1 4.45Å; E893-I895 PolarHBondContact O-N 3.17Å |
| 894 | C | 85.9 | Confident | 89.7 | Confident | 61 Ų | 61 | 16.2 Ų | 16.2 | 41% | 0.412 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 31.2 | -174.1 | -62.7 | 0 | 0 | 0 | 0 | 113.4 | A890 V891 Y892 | A890-C894 PolarHBondContact O-N 2.86Å; A890-C894 VanDerWaalsContact O-N 3.1Å; V891-C894 PolarHBondContact O-N 3.38Å; V891-C894 VanDerWaalsContact O-N 3.09Å; Y892-C894 VanDerWaalsContact C-N 3.34Å |
| 895 | I | 83.7 | Confident | 89.8 | Confident | 5 Ų | 5 | 16.2 Ų | 16.2 | 3% | 0.026 | 9% | 0.091 | C | C | . | . | trans | -88.4 | 121 | 174.9 | -57.9 | 169.7 | 0 | 0 | 0 | 107.9 | F837 K838 L841 A890 E893 | F837-I895 HydrophobicContact CD1-CD1 4.31Å; F837-I895 HydrophobicContact CE1-CD1 4.16Å; K838-I895 HydrophobicContact CB-CD1 4.4Å; K838-I895 HydrophobicContact CG-CD1 3.58Å; K838-I895 HydrophobicContact CG-CG1 3.92Å; L841-I895 HydrophobicContact CD2-CD1 3.89Å; A890-I895 HydrophobicContact CB-CB 4.28Å; A890-I895 PolarHBondContact O-N 3.08Å; E893-I895 HydrophobicContact CB-CD1 3.67Å; E893-I895 HydrophobicContact CB-CG1 3.81Å; E893-I895 HydrophobicContact CG-CD1 4.45Å; E893-I895 PolarHBondContact O-N 3.17Å | ||
| 896 | V | 83.3 | Confident | 89.8 | Confident | 16 Ų | 16 | 14.9 Ų | 14.9 | 10% | 0.097 | 9% | 0.085 | C | C | . | . | trans | -78.2 | 128.9 | 177.7 | 171.8 | 0 | 0 | 0 | 0 | 109.6 | I1029 S1030 R1086 | V896-I1029 CarbonylContact C-O 3.5Å; V896-I1029 WeakPolarHBondContact CA-O 3.32Å; V896-S1030 WeakPolarHBondContact CG1-O 3.37Å; V896-R1086 HydrophobicContact CG1-CB 3.94Å | ||
| 897 | V | 84.1 | Confident | 89.9 | Confident | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.012 | 9% | 0.085 | C | C | . | . | trans | -114.3 | 121.2 | -179.4 | -168.5 | 0 | 0 | 0 | 0 | 109.3 | L845 L887 A890 V899 I1029 S1030 | L845-V897 HydrophobicContact CB-CG1 3.74Å; L845-V897 HydrophobicContact CD1-CB 4.26Å; L845-V897 HydrophobicContact CD1-CG1 3.64Å; L845-V897 HydrophobicContact CD1-CG2 3.56Å; L845-V897 HydrophobicContact CG-CG1 4.34Å; L887-V897 HydrophobicContact CD1-CB 4.29Å; L887-V897 HydrophobicContact CD1-CG2 4.2Å; A890-V897 HydrophobicContact CB-CG2 3.42Å; A890-V897 VanDerWaalsContact CB-CG2 3.42Å; V897-V899 VanDerWaalsContact C-N 3.26Å; V897-V899 HydrophobicContact CG1-CB 4.37Å; V897-V899 HydrophobicContact CG1-CG2 3.57Å; V897-V899 PolarHBondContact O-N 3.39Å; V897-I1029 PolarHBondContact N-O 3.06Å; V897-S1030 VanDerWaalsContact O-CA 3.22Å; V897-S1030 WeakPolarHBondContact O-CA 3.47Å; V897-S1030 WeakPolarHBondContact O-CB 2.96Å; V897-S1030 PolarHBondContact O-OG 3.46Å | ||
| 898 | D | 80.9 | Confident | 89.8 | Confident | 80 Ų | 80 | 14.8 Ų | 14.8 | 43% | 0.428 | 9% | 0.085 | S | C | . | . | trans | -76.7 | 73.3 | -179.8 | -171.3 | 12.8 | 0 | 0 | 0 | 112.6 | R1086 | D898-R1086 VanDerWaalsContact CG-CZ 3.42Å; D898-R1086 IonicContact OD1-CZ 3.54Å; D898-R1086 IonicContact OD1-NH1 3.8Å; D898-R1086 PolarHBondContact OD1-NH1 3.47Å; D898-R1086 IonicContact OD1-NH2 3.92Å; D898-R1086 PolarHBondContact OD1-NH2 3Å; D898-R1086 IonicContact OD2-CZ 3.73Å; D898-R1086 IonicContact OD2-NH2 2.8Å; D898-R1086 PolarHBondContact OD2-NH2 3.29Å | ||
| 899 | V | 86.2 | Confident | 89.8 | Confident | 3 Ų | 3 | 14.9 Ų | 14.9 | 2% | 0.018 | 9% | 0.085 | C | C | . | . | trans | -135.6 | 98.2 | -177.8 | 179.4 | 0 | 0 | 0 | 0 | 108 | F849 L864 V897 F901 Q1026 S1030 | F849-V899 HydrophobicContact CB-CG1 4.11Å; F849-V899 HydrophobicContact CB-CG2 4.11Å; F849-V899 HydrophobicContact CD1-CG1 3.98Å; F849-V899 HydrophobicContact CD2-CB 4.16Å; F849-V899 HydrophobicContact CD2-CG1 3.77Å; F849-V899 HydrophobicContact CD2-CG2 3.33Å; F849-V899 HydrophobicContact CE1-CG1 4.34Å; F849-V899 HydrophobicContact CE2-CB 4.47Å; F849-V899 HydrophobicContact CE2-CG1 4.11Å; F849-V899 HydrophobicContact CE2-CG2 3.9Å; F849-V899 HydrophobicContact CG-CG1 3.7Å; F849-V899 HydrophobicContact CG-CG2 3.91Å; F849-V899 HydrophobicContact CZ-CG1 4.42Å; L864-V899 HydrophobicContact CD1-CG1 3.61Å; V897-V899 VanDerWaalsContact C-N 3.26Å; V897-V899 HydrophobicContact CG1-CB 4.37Å; V897-V899 HydrophobicContact CG1-CG2 3.57Å; V897-V899 PolarHBondContact O-N 3.39Å; V899-F901 HydrophobicContact CB-CE2 4.17Å; V899-F901 HydrophobicContact CB-CZ 4.26Å; V899-F901 HydrophobicContact CG1-CD1 4.22Å; V899-F901 HydrophobicContact CG1-CD2 4.23Å; V899-F901 HydrophobicContact CG1-CE1 3.66Å; V899-F901 HydrophobicContact CG1-CE2 3.67Å; V899-F901 HydrophobicContact CG1-CG 4.49Å; V899-F901 HydrophobicContact CG1-CZ 3.37Å; V899-F901 PolarHBondContact O-N 2.75Å; V899-F901 VanDerWaalsContact O-N 3.15Å; V899-Q1026 PolarHBondContact O-NE2 2.73Å; V899-Q1026 VanDerWaalsContact O-NE2 3.1Å; V899-S1030 PolarHBondContact N-OG 3.17Å; V899-S1030 PolarHBondContact O-OG 3.47Å; V899-S1030 VanDerWaalsContact O-OG 3.09Å | ||
| 900 | P | 89.1 | Confident | 89.8 | Confident | 44 Ų | 44 | 15.9 Ų | 15.9 | 29% | 0.286 | 9% | 0.091 | S | C | . | . | trans | -78.7 | 101.8 | -178.2 | 31.9 | -34.4 | 0 | 0 | 0 | 109.7 | R863 L864 | R863-P900 CarbonylContact C-O 3.29Å; R863-P900 WeakPolarHBondContact CA-O 3.46Å; L864-P900 PolarHBondContact N-O 3.24Å | ||
| 901 | F | 94.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 17.8 Ų | 17.8 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -79 | 154.3 | 177.1 | -68.7 | -68.8 | 0 | 0 | 0 | 111.9 | F849 F856 R863 L864 L887 V899 F905 L906 Q1026 I1029 | F849-F901 HydrophobicContact CD1-CE1 4.22Å; F849-F901 HydrophobicContact CD1-CZ 4.33Å; F849-F901 AromaticContact CE1-CE1 3.72Å; F849-F901 HydrophobicContact CE1-CE1 3.72Å; F849-F901 AromaticContact CE1-CZ 3.63Å; F849-F901 HydrophobicContact CE1-CZ 3.63Å; F849-F901 HydrophobicContact CE2-CZ 4.25Å; F849-F901 HydrophobicContact CZ-CE1 4.2Å; F849-F901 AromaticContact CZ-CZ 3.6Å; F849-F901 HydrophobicContact CZ-CZ 3.6Å; F856-F901 HydrophobicContact CE1-CE1 4.02Å; R863-F901 PolarHBondContact NH1-O 3.17Å; L864-F901 HydrophobicContact CB-CD1 4.27Å; L864-F901 WeakPolarHBondContact O-CA 3.33Å; L887-F901 HydrophobicContact CD1-CE2 4.41Å; L887-F901 HydrophobicContact CD2-CE2 3.6Å; L887-F901 HydrophobicContact CD2-CZ 3.79Å; V899-F901 HydrophobicContact CB-CE2 4.17Å; V899-F901 HydrophobicContact CB-CZ 4.26Å; V899-F901 HydrophobicContact CG1-CD1 4.22Å; V899-F901 HydrophobicContact CG1-CD2 4.23Å; V899-F901 HydrophobicContact CG1-CE1 3.66Å; V899-F901 HydrophobicContact CG1-CE2 3.67Å; V899-F901 HydrophobicContact CG1-CG 4.49Å; V899-F901 HydrophobicContact CG1-CZ 3.37Å; V899-F901 PolarHBondContact O-N 2.75Å; V899-F901 VanDerWaalsContact O-N 3.15Å; F901-F905 HydrophobicContact CB-CD1 4.17Å; F901-F905 AromaticContact CD1-CD1 3.61Å; F901-F905 HydrophobicContact CD1-CD1 3.61Å; F901-F905 AromaticContact CD1-CE1 3.63Å; F901-F905 HydrophobicContact CD1-CE1 3.63Å; F901-F905 HydrophobicContact CE1-CD1 4.26Å; F901-F905 AromaticContact CE1-CE1 3.81Å; F901-F905 HydrophobicContact CE1-CE1 3.81Å; F901-F905 HydrophobicContact CG-CD1 4.04Å; F901-F905 HydrophobicContact CG-CE1 4.26Å; F901-L906 HydrophobicContact CB-CD1 4.22Å; F901-L906 HydrophobicContact CB-CD2 3.84Å; F901-L906 HydrophobicContact CB-CG 3.9Å; F901-L906 HydrophobicContact CD2-CD2 4.17Å; F901-L906 HydrophobicContact CG-CD2 4.26Å; F901-Q1026 PolarHBondContact O-OE1 2.9Å; F901-I1029 HydrophobicContact CD2-CD1 4.39Å; F901-I1029 HydrophobicContact CE2-CD1 4.48Å; F901-I1029 HydrophobicContact CE2-CG2 4.24Å |
| 902 | A | 92.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 20 Ų | 20 | 2% | 0.017 | 12% | 0.118 | C | C | . | . | trans | -72.7 | 139.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | T859 R863 L864 F904 F905 L906 | T859-A902 HydrophobicContact CG2-CB 4.02Å; R863-A902 HydrophobicContact CB-CB 3.97Å; L864-A902 PolarHBondContact O-N 3.4Å; A902-F904 VanDerWaalsContact C-N 3.31Å; A902-F904 HydrophobicContact CB-CD1 3.71Å; A902-F904 HydrophobicContact CB-CE1 3.37Å; A902-F904 HydrophobicContact CB-CG 4.49Å; A902-F904 HydrophobicContact CB-CZ 3.9Å; A902-F904 PolarHBondContact O-N 2.75Å; A902-F905 WeakPolarHBondContact O-CB 3.15Å; A902-F905 PolarHBondContact O-N 2.8Å; A902-L906 PolarHBondContact O-N 3.03Å | ||
| 903 | N | 91.3 | Very high | 88.4 | Confident | 40 Ų | 40 | 21.1 Ų | 21.1 | 21% | 0.214 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.1 | -40.1 | -173.5 | -158.6 | 60.9 | 0 | 0 | 0 | 112.4 | F905 L906 T907 E923 P1022 | N903-F905 PolarHBondContact O-N 3.43Å; N903-L906 WeakPolarHBondContact O-CB 3.37Å; N903-L906 PolarHBondContact O-N 3.34Å; N903-L906 VanDerWaalsContact O-N 3.07Å; N903-T907 PolarHBondContact O-N 3.28Å; N903-T907 PolarHBondContact O-OG1 3.06Å; N903-T907 VanDerWaalsContact O-OG1 3.05Å; N903-E923 PolarHBondContact ND2-OE1 3.13Å; N903-P1022 VanDerWaalsContact OD1-CB 3.29Å; N903-P1022 WeakPolarHBondContact OD1-CB 3.45Å |
| 904 | F | 91.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.1 | -29.6 | 176.6 | 69.8 | -98.6 | 0 | 0 | 0 | 113.7 | T859 Y865 A902 Q908 Y918 E923 L927 M993 I997 | T859-F904 HydrophobicContact CG2-CE1 4.11Å; Y865-F904 VanDerWaalsContact CB-CZ 3.46Å; Y865-F904 HydrophobicContact CD1-CZ 4.07Å; Y865-F904 HydrophobicContact CD2-CE2 4.16Å; Y865-F904 AromaticContact CD2-CZ 3.77Å; Y865-F904 HydrophobicContact CD2-CZ 3.77Å; Y865-F904 HydrophobicContact CG-CE1 4.49Å; Y865-F904 HydrophobicContact CG-CE2 4.15Å; Y865-F904 AromaticContact CG-CZ 3.51Å; Y865-F904 HydrophobicContact CG-CZ 3.51Å; A902-F904 VanDerWaalsContact C-N 3.31Å; A902-F904 HydrophobicContact CB-CD1 3.71Å; A902-F904 HydrophobicContact CB-CE1 3.37Å; A902-F904 HydrophobicContact CB-CG 4.49Å; A902-F904 HydrophobicContact CB-CZ 3.9Å; A902-F904 PolarHBondContact O-N 2.75Å; F904-Q908 WeakPolarHBondContact O-CG 3.49Å; F904-Q908 PolarHBondContact O-N 2.84Å; F904-Q908 PolarHBondContact O-NE2 2.91Å; F904-Y918 WeakPolarHBondContact CB-OH 3.36Å; F904-E923 WeakPolarHBondContact CA-OE2 3.47Å; F904-E923 WeakPolarHBondContact CB-OE2 3.34Å; F904-E923 PolarHBondContact N-OE2 2.71Å; F904-L927 HydrophobicContact CE1-CB 4.22Å; F904-L927 HydrophobicContact CE1-CD1 4.17Å; F904-L927 HydrophobicContact CZ-CD1 4.04Å; F904-M993 HydrophobicContact CB-CE 3.36Å; F904-M993 HydrophobicContact CD1-CE 3.6Å; F904-M993 HydrophobicContact CD2-CE 4.16Å; F904-M993 HydrophobicContact CE1-CE 4.38Å; F904-M993 HydrophobicContact CG-CE 3.46Å; F904-M993 VanDerWaalsContact CG-CE 3.46Å; F904-I997 HydrophobicContact CE2-CD1 3.97Å |
| 905 | F | 95 | Very high | 86.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -75.6 | -39.2 | 175.7 | 175.4 | -117.4 | 0 | 0 | 0 | 110.7 | F856 P866 F901 A902 N903 T907 Q908 L909 T1001 F1004 | F856-F905 HydrophobicContact CE1-CE1 4.46Å; P866-F905 VanDerWaalsContact CD-CD2 3.44Å; P866-F905 HydrophobicContact CG-CD2 3.73Å; P866-F905 HydrophobicContact CG-CE2 3.41Å; P866-F905 VanDerWaalsContact CG-CE2 3.41Å; P866-F905 HydrophobicContact CG-CZ 4Å; F901-F905 HydrophobicContact CB-CD1 4.17Å; F901-F905 AromaticContact CD1-CD1 3.61Å; F901-F905 HydrophobicContact CD1-CD1 3.61Å; F901-F905 AromaticContact CD1-CE1 3.63Å; F901-F905 HydrophobicContact CD1-CE1 3.63Å; F901-F905 HydrophobicContact CE1-CD1 4.26Å; F901-F905 AromaticContact CE1-CE1 3.81Å; F901-F905 HydrophobicContact CE1-CE1 3.81Å; F901-F905 HydrophobicContact CG-CD1 4.04Å; F901-F905 HydrophobicContact CG-CE1 4.26Å; A902-F905 WeakPolarHBondContact O-CB 3.15Å; A902-F905 PolarHBondContact O-N 2.8Å; N903-F905 PolarHBondContact O-N 3.43Å; F905-T907 VanDerWaalsContact C-N 3.35Å; F905-Q908 PolarHBondContact O-N 3.49Å; F905-L909 WeakPolarHBondContact O-CB 3.25Å; F905-L909 PolarHBondContact O-N 2.84Å; F905-T1001 HydrophobicContact CD2-CG2 4.33Å; F905-T1001 HydrophobicContact CE2-CG2 4.07Å; F905-F1004 HydrophobicContact CE1-CE1 4.24Å; F905-F1004 HydrophobicContact CE1-CZ 4.49Å; F905-F1004 AromaticContact CZ-CD1 3.69Å; F905-F1004 HydrophobicContact CZ-CD1 3.69Å; F905-F1004 HydrophobicContact CZ-CD2 4.47Å; F905-F1004 AromaticContact CZ-CE1 3.86Å; F905-F1004 HydrophobicContact CZ-CE1 3.86Å; F905-F1004 HydrophobicContact CZ-CG 4.01Å; F905-F1004 HydrophobicContact CZ-CZ 4.31Å |
| 906 | L | 94.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.9 | -36.8 | 173.6 | -63.3 | 174.7 | 0 | 0 | 0 | 112.3 | F901 A902 N903 Q908 L909 L910 P1022 L1025 Q1026 I1029 | F901-L906 HydrophobicContact CB-CD1 4.22Å; F901-L906 HydrophobicContact CB-CD2 3.84Å; F901-L906 HydrophobicContact CB-CG 3.9Å; F901-L906 HydrophobicContact CD2-CD2 4.17Å; F901-L906 HydrophobicContact CG-CD2 4.26Å; A902-L906 PolarHBondContact O-N 3.03Å; N903-L906 WeakPolarHBondContact O-CB 3.37Å; N903-L906 PolarHBondContact O-N 3.34Å; N903-L906 VanDerWaalsContact O-N 3.07Å; L906-Q908 VanDerWaalsContact C-N 3.32Å; L906-Q908 PolarHBondContact O-N 2.99Å; L906-L909 HydrophobicContact CD2-CD2 4.22Å; L906-L909 WeakPolarHBondContact O-CB 3.26Å; L906-L909 PolarHBondContact O-N 3.22Å; L906-L910 PolarHBondContact O-N 3.01Å; L906-P1022 HydrophobicContact CB-CB 3.94Å; L906-P1022 WeakPolarHBondContact CD1-O 3.28Å; L906-L1025 HydrophobicContact CD2-CD2 4.19Å; L906-L1025 HydrophobicContact CD2-CG 4.45Å; L906-Q1026 HydrophobicContact CD1-CB 3.7Å; L906-Q1026 HydrophobicContact CD1-CG 4.41Å; L906-I1029 HydrophobicContact CD2-CD1 4.2Å |
| 907 | T | 92 | Very high | 84.4 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60 | -43.7 | 172.6 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | N903 F905 L910 G911 R912 Y918 P1022 | N903-T907 PolarHBondContact O-N 3.28Å; N903-T907 PolarHBondContact O-OG1 3.06Å; N903-T907 VanDerWaalsContact O-OG1 3.05Å; F905-T907 VanDerWaalsContact C-N 3.35Å; T907-L910 PolarHBondContact O-N 3.45Å; T907-G911 PolarHBondContact O-N 2.84Å; T907-R912 HydrophobicContact CG2-CB 3.83Å; T907-R912 PolarHBondContact O-N 3.17Å; T907-Y918 HydrophobicContact CG2-CD1 4.49Å; T907-Y918 HydrophobicContact CG2-CD2 3.89Å; T907-Y918 HydrophobicContact CG2-CE1 4.3Å; T907-Y918 HydrophobicContact CG2-CE2 3.72Å; T907-Y918 HydrophobicContact CG2-CG 4.28Å; T907-P1022 WeakPolarHBondContact OG1-CG 3.09Å |
| 908 | Q | 93.5 | Very high | 84 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -39.1 | 174.1 | -71.2 | 172.8 | 61.6 | 0 | 0 | 112.1 | F904 F905 L906 L910 G911 E913 M993 Y994 T1001 I1005 | F904-Q908 WeakPolarHBondContact O-CG 3.49Å; F904-Q908 PolarHBondContact O-N 2.84Å; F904-Q908 PolarHBondContact O-NE2 2.91Å; F905-Q908 PolarHBondContact O-N 3.49Å; L906-Q908 VanDerWaalsContact C-N 3.32Å; L906-Q908 PolarHBondContact O-N 2.99Å; Q908-L910 VanDerWaalsContact C-N 3.27Å; Q908-L910 PolarHBondContact O-N 3.14Å; Q908-G911 PolarHBondContact O-N 3.49Å; Q908-E913 WeakPolarHBondContact CA-OE2 3.37Å; Q908-E913 HydrophobicContact CG-CB 3.86Å; Q908-E913 HydrophobicContact CG-CG 4.06Å; Q908-M993 PolarHBondContact NE2-O 2.94Å; Q908-Y994 HydrophobicContact CG-CD2 4.25Å; Q908-T1001 HydrophobicContact CB-CG2 3.87Å; Q908-I1005 VanDerWaalsContact O-CD1 3.24Å; Q908-I1005 WeakPolarHBondContact O-CD1 3.45Å |
| 909 | L | 93.9 | Very high | 83.9 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.3 | -40.2 | 176.5 | -176.5 | 58.8 | 0 | 0 | 0 | 111.3 | F905 L906 G911 F1004 I1005 F1008 Y1009 L1025 | F905-L909 WeakPolarHBondContact O-CB 3.25Å; F905-L909 PolarHBondContact O-N 2.84Å; L906-L909 HydrophobicContact CD2-CD2 4.22Å; L906-L909 WeakPolarHBondContact O-CB 3.26Å; L906-L909 PolarHBondContact O-N 3.22Å; L909-G911 VanDerWaalsContact C-N 3.27Å; L909-G911 PolarHBondContact O-N 2.74Å; L909-F1004 HydrophobicContact CD1-CD1 4.07Å; L909-F1004 HydrophobicContact CD1-CE1 4.1Å; L909-F1004 HydrophobicContact CD2-CE1 4.45Å; L909-I1005 HydrophobicContact CD1-CG1 3.82Å; L909-F1008 HydrophobicContact CD1-CB 4.16Å; L909-F1008 HydrophobicContact CD1-CD1 3.56Å; L909-F1008 HydrophobicContact CD1-CE1 3.99Å; L909-F1008 HydrophobicContact CD1-CG 3.86Å; L909-F1008 HydrophobicContact CD2-CD1 4.37Å; L909-F1008 HydrophobicContact CD2-CE1 4.01Å; L909-F1008 HydrophobicContact CD2-CE2 4.45Å; L909-F1008 HydrophobicContact CD2-CZ 4.07Å; L909-F1008 HydrophobicContact CG-CD1 4.15Å; L909-F1008 HydrophobicContact CG-CE1 4.06Å; L909-Y1009 WeakPolarHBondContact O-CE2 2.79Å; L909-Y1009 PolarHBondContact O-OH 2.92Å; L909-L1025 HydrophobicContact CD2-CD2 3.92Å; L909-L1025 HydrophobicContact CG-CD2 4.37Å |
| 910 | L | 92.3 | Very high | 83.8 | Confident | 22 Ų | 22 | 28.2 Ų | 28.2 | 12% | 0.115 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -3.3 | 175.5 | -70.5 | 175 | 0 | 0 | 0 | 114.4 | L906 T907 Q908 R912 L1017 P1022 L1025 | L906-L910 PolarHBondContact O-N 3.01Å; T907-L910 PolarHBondContact O-N 3.45Å; Q908-L910 VanDerWaalsContact C-N 3.27Å; Q908-L910 PolarHBondContact O-N 3.14Å; L910-R912 HydrophobicContact CB-CG 4.06Å; L910-R912 PolarHBondContact O-N 2.96Å; L910-L1017 HydrophobicContact CD2-CB 4.01Å; L910-P1022 HydrophobicContact CD1-CG 4.1Å; L910-L1025 HydrophobicContact CD1-CD2 4.28Å; L910-L1025 HydrophobicContact CD2-CD2 3.84Å; L910-L1025 HydrophobicContact CG-CD2 3.83Å |
| 911 | G | 87.8 | Confident | 83.6 | Confident | 41 Ų | 41 | 26.2 Ų | 26.2 | 42% | 0.423 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 16.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T907 Q908 L909 E913 | T907-G911 PolarHBondContact O-N 2.84Å; Q908-G911 PolarHBondContact O-N 3.49Å; L909-G911 VanDerWaalsContact C-N 3.27Å; L909-G911 PolarHBondContact O-N 2.74Å; G911-E913 WeakPolarHBondContact CA-OE2 3.33Å |
| 912 | R | 83.6 | Confident | 83 | Confident | 49 Ų | 49 | 27 Ų | 27 | 19% | 0.185 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -86.1 | -9 | -176.9 | -68.4 | -173.5 | -178.2 | -174.4 | 7.2 | 113.3 | E707 T907 L910 K914 A915 A1018 F1020 | E707-R912 IonicContact OE1-NH1 2.74Å; E707-R912 IonicContact OE2-CZ 2.98Å; E707-R912 IonicContact OE2-NH1 3.98Å; E707-R912 PolarHBondContact OE2-NH1 2.86Å; T907-R912 HydrophobicContact CG2-CB 3.83Å; T907-R912 PolarHBondContact O-N 3.17Å; L910-R912 HydrophobicContact CB-CG 4.06Å; L910-R912 PolarHBondContact O-N 2.96Å; R912-K914 PolarHBondContact O-N 3.26Å; R912-A915 WeakPolarHBondContact O-CB 3.39Å; R912-A915 PolarHBondContact O-N 3.04Å; R912-A1018 PolarHBondContact NH2-O 3.41Å; R912-A1018 VanDerWaalsContact NH2-O 3.08Å; R912-F1020 PolarHBondContact NH2-O 3.03Å |
| 913 | E | 73.2 | Confident | 82.6 | Confident | 24 Ų | 24 | 27.1 Ų | 27.1 | 11% | 0.112 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -63.4 | -24.6 | 176.2 | 80.7 | -68.3 | 169.1 | 0 | 0 | 113 | Q908 G911 A915 Y918 F920 Y994 | Q908-E913 WeakPolarHBondContact CA-OE2 3.37Å; Q908-E913 HydrophobicContact CG-CB 3.86Å; Q908-E913 HydrophobicContact CG-CG 4.06Å; G911-E913 WeakPolarHBondContact CA-OE2 3.33Å; E913-A915 VanDerWaalsContact C-N 3.34Å; E913-Y918 HydrophobicContact CB-CD1 4.39Å; E913-Y918 HydrophobicContact CB-CE1 4.49Å; E913-F920 HydrophobicContact CB-CZ 4.08Å; E913-Y994 HydrophobicContact CG-CD2 4.12Å; E913-Y994 HydrophobicContact CG-CE2 3.76Å |
| 914 | K | 66.6 | Low | 82.5 | Confident | 160 Ų | 160 | 25.2 Ų | 25.2 | 70% | 0.696 | 15% | 0.154 | S | C | * | . | G | 310 helix | trans | -85 | -7.9 | 176.1 | -67.5 | 170 | -170.2 | 164.9 | 0 | 113.1 | R912 G916 | R912-K914 PolarHBondContact O-N 3.26Å; K914-G916 PolarHBondContact O-N 2.78Å |
| 915 | A | 65.3 | Low | 82.2 | Confident | 52 Ų | 52 | 26.6 Ų | 26.6 | 43% | 0.43 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -62.5 | 124.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | R912 E913 C917 Y918 | R912-A915 WeakPolarHBondContact O-CB 3.39Å; R912-A915 PolarHBondContact O-N 3.04Å; E913-A915 VanDerWaalsContact C-N 3.34Å; A915-C917 PolarHBondContact O-N 3.31Å; A915-Y918 PolarHBondContact O-N 2.98Å |
| 916 | G | 61.5 | Low | 81.8 | Confident | 63 Ų | 63 | 28.8 Ų | 28.8 | 65% | 0.649 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 19.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | R700 K914 | R700-G916 PolarHBondContact NH2-O 2.89Å; R700-G916 VanDerWaalsContact NH2-O 3.09Å; K914-G916 PolarHBondContact O-N 2.78Å |
| 917 | C | 62.5 | Low | 81.6 | Confident | 31 Ų | 31 | 29.2 Ų | 29.2 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123 | -7.8 | -179.4 | -52.9 | 0 | 0 | 0 | 0 | 112.4 | S609 R700 V704 A915 | S609-C917 WeakPolarHBondContact OG-CA 3.25Å; R700-C917 PolarHBondContact NE-SG 3.49Å; V704-C917 HydrophobicContact CG2-CB 3.56Å; V704-C917 WeakPolarHBondContact CG2-SG 3.18Å; A915-C917 PolarHBondContact O-N 3.31Å |
| 918 | Y | 76.4 | Confident | 81.6 | Confident | 35 Ų | 35 | 30.7 Ų | 30.7 | 14% | 0.137 | 19% | 0.189 | C | C | . | . | trans | -88.1 | 124.6 | -178.9 | 176.6 | -104.9 | 0 | 0 | 0 | 110.8 | F904 T907 E913 A915 F920 E923 | F904-Y918 WeakPolarHBondContact CB-OH 3.36Å; T907-Y918 HydrophobicContact CG2-CD1 4.49Å; T907-Y918 HydrophobicContact CG2-CD2 3.89Å; T907-Y918 HydrophobicContact CG2-CE1 4.3Å; T907-Y918 HydrophobicContact CG2-CE2 3.72Å; T907-Y918 HydrophobicContact CG2-CG 4.28Å; E913-Y918 HydrophobicContact CB-CD1 4.39Å; E913-Y918 HydrophobicContact CB-CE1 4.49Å; A915-Y918 PolarHBondContact O-N 2.98Å; Y918-F920 HydrophobicContact CD1-CD2 4.16Å; Y918-F920 HydrophobicContact CD1-CE1 4.37Å; Y918-F920 AromaticContact CD1-CE2 3.91Å; Y918-F920 HydrophobicContact CD1-CE2 3.91Å; Y918-F920 HydrophobicContact CD1-CG 4.47Å; Y918-F920 HydrophobicContact CD1-CZ 4.07Å; Y918-F920 AromaticContact CE1-CD1 3.56Å; Y918-F920 HydrophobicContact CE1-CD1 3.56Å; Y918-F920 AromaticContact CE1-CD2 3.94Å; Y918-F920 HydrophobicContact CE1-CD2 3.94Å; Y918-F920 AromaticContact CE1-CE1 3.5Å; Y918-F920 HydrophobicContact CE1-CE1 3.5Å; Y918-F920 VanDerWaalsContact CE1-CE1 3.5Å; Y918-F920 AromaticContact CE1-CE2 3.81Å; Y918-F920 HydrophobicContact CE1-CE2 3.81Å; Y918-F920 AromaticContact CE1-CG 3.82Å; Y918-F920 HydrophobicContact CE1-CG 3.82Å; Y918-F920 AromaticContact CE1-CZ 3.63Å; Y918-F920 HydrophobicContact CE1-CZ 3.63Å; Y918-E923 WeakPolarHBondContact CE2-OE2 3.4Å; Y918-E923 PolarHBondContact OH-OE2 3.15Å | ||
| 919 | S | 79.6 | Confident | 81.4 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | trans | -108.1 | 114.5 | 177.5 | 171.3 | 0 | 0 | 0 | 0 | 109.4 | L921 D922 | S919-L921 PolarHBondContact O-N 3.45Å; S919-L921 PolarHBondContact OG-N 2.84Å; S919-D922 WeakPolarHBondContact CB-OD1 3.33Å; S919-D922 PolarHBondContact O-N 3.26Å; S919-D922 PolarHBondContact OG-OD1 3.41Å | ||
| 920 | F | 83.8 | Confident | 81.2 | Confident | 17 Ų | 17 | 42.9 Ų | 42.9 | 8% | 0.075 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -25.2 | 172.6 | -69.5 | -86.4 | 0 | 0 | 0 | 112.4 | E913 Y918 D922 E923 L924 A989 H990 M993 Y994 | E913-F920 HydrophobicContact CB-CZ 4.08Å; Y918-F920 HydrophobicContact CD1-CD2 4.16Å; Y918-F920 HydrophobicContact CD1-CE1 4.37Å; Y918-F920 AromaticContact CD1-CE2 3.91Å; Y918-F920 HydrophobicContact CD1-CE2 3.91Å; Y918-F920 HydrophobicContact CD1-CG 4.47Å; Y918-F920 HydrophobicContact CD1-CZ 4.07Å; Y918-F920 AromaticContact CE1-CD1 3.56Å; Y918-F920 HydrophobicContact CE1-CD1 3.56Å; Y918-F920 AromaticContact CE1-CD2 3.94Å; Y918-F920 HydrophobicContact CE1-CD2 3.94Å; Y918-F920 AromaticContact CE1-CE1 3.5Å; Y918-F920 HydrophobicContact CE1-CE1 3.5Å; Y918-F920 VanDerWaalsContact CE1-CE1 3.5Å; Y918-F920 AromaticContact CE1-CE2 3.81Å; Y918-F920 HydrophobicContact CE1-CE2 3.81Å; Y918-F920 AromaticContact CE1-CG 3.82Å; Y918-F920 HydrophobicContact CE1-CG 3.82Å; Y918-F920 AromaticContact CE1-CZ 3.63Å; Y918-F920 HydrophobicContact CE1-CZ 3.63Å; F920-D922 PolarHBondContact O-N 3.06Å; F920-E923 PolarHBondContact O-N 2.91Å; F920-L924 PolarHBondContact O-N 2.76Å; F920-L924 VanDerWaalsContact O-N 3.16Å; F920-A989 HydrophobicContact CB-CB 4.02Å; F920-H990 HydrophobicContact CD2-CB 4.16Å; F920-H990 AromaticContact CD2-CD2 3.88Å; F920-H990 AromaticContact CE2-CD2 3.49Å; F920-H990 VanDerWaalsContact CE2-CD2 3.49Å; F920-H990 WeakPolarHBondContact CE2-CD2 3.26Å; F920-M993 HydrophobicContact CB-CB 4.45Å; F920-M993 HydrophobicContact CB-SD 4.04Å; F920-M993 HydrophobicContact CD1-CB 3.51Å; F920-M993 HydrophobicContact CD1-CE 4.47Å; F920-M993 HydrophobicContact CD1-SD 4.38Å; F920-M993 HydrophobicContact CE1-CB 4.15Å; F920-M993 HydrophobicContact CG-CB 4.35Å; F920-Y994 HydrophobicContact CE1-CG 4.43Å; F920-Y994 HydrophobicContact CZ-CD2 4.19Å; F920-Y994 HydrophobicContact CZ-CG 4.01Å |
| 921 | L | 83.9 | Confident | 81.2 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -35 | -179.4 | -176.2 | 64.6 | 0 | 0 | 0 | 111.8 | S919 E923 L924 Y932 L935 V985 A989 | S919-L921 PolarHBondContact O-N 3.45Å; S919-L921 PolarHBondContact OG-N 2.84Å; L921-E923 VanDerWaalsContact C-N 3.28Å; L921-E923 PolarHBondContact O-N 3.14Å; L921-L924 HydrophobicContact CD1-CD2 4.09Å; L921-L924 WeakPolarHBondContact O-CB 3.35Å; L921-L924 PolarHBondContact O-N 2.7Å; L921-Y932 HydrophobicContact CD1-CD2 4.27Å; L921-Y932 HydrophobicContact CD1-CE2 4.38Å; L921-Y932 HydrophobicContact CG-CE2 4.42Å; L921-L935 HydrophobicContact CD1-CD1 4.38Å; L921-V985 HydrophobicContact CD1-CG1 3.67Å; L921-V985 HydrophobicContact CD2-CG1 3.71Å; L921-V985 HydrophobicContact CG-CG1 4.31Å; L921-A989 HydrophobicContact CB-CB 4.38Å; L921-A989 HydrophobicContact CD1-CB 4.47Å |
| 922 | D | 81.9 | Confident | 81.3 | Confident | 18 Ų | 18 | 43 Ų | 43 | 10% | 0.096 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.8 | -30.9 | -174.4 | -53.6 | 0.6 | 0 | 0 | 0 | 111.8 | R711 S919 F920 | R711-D922 IonicContact CZ-OD2 3.44Å; R711-D922 VanDerWaalsContact NH1-CB 3.3Å; R711-D922 IonicContact NH1-OD2 2.67Å; R711-D922 IonicContact NH2-OD2 3.61Å; R711-D922 PolarHBondContact NH2-OD2 3.07Å; S919-D922 WeakPolarHBondContact CB-OD1 3.33Å; S919-D922 PolarHBondContact O-N 3.26Å; S919-D922 PolarHBondContact OG-OD1 3.41Å; F920-D922 PolarHBondContact O-N 3.06Å |
| 923 | E | 84.6 | Confident | 81.6 | Confident | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.023 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -96.4 | -6.1 | 178.3 | -66.5 | -172.1 | 143 | 0 | 0 | 112.7 | R711 N903 F904 Y918 F920 L921 A925 T926 M993 | R711-E923 WeakPolarHBondContact CD-OE1 3.28Å; N903-E923 PolarHBondContact ND2-OE1 3.13Å; F904-E923 WeakPolarHBondContact CA-OE2 3.47Å; F904-E923 WeakPolarHBondContact CB-OE2 3.34Å; F904-E923 PolarHBondContact N-OE2 2.71Å; Y918-E923 WeakPolarHBondContact CE2-OE2 3.4Å; Y918-E923 PolarHBondContact OH-OE2 3.15Å; F920-E923 PolarHBondContact O-N 2.91Å; L921-E923 VanDerWaalsContact C-N 3.28Å; L921-E923 PolarHBondContact O-N 3.14Å; E923-A925 PolarHBondContact O-N 2.96Å; E923-T926 WeakPolarHBondContact O-CB 3.46Å; E923-T926 PolarHBondContact O-N 3.42Å; E923-T926 PolarHBondContact O-OG1 2.93Å; E923-M993 HydrophobicContact CB-CE 3.63Å |
| 924 | L | 88.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.5 | -34.9 | -176.6 | -176.1 | 64.3 | 0 | 0 | 0 | 112 | F920 L921 T926 L927 D928 L931 Y932 L935 A989 M993 | F920-L924 PolarHBondContact O-N 2.76Å; F920-L924 VanDerWaalsContact O-N 3.16Å; L921-L924 HydrophobicContact CD1-CD2 4.09Å; L921-L924 WeakPolarHBondContact O-CB 3.35Å; L921-L924 PolarHBondContact O-N 2.7Å; L924-T926 PolarHBondContact O-N 2.81Å; L924-L927 HydrophobicContact CD1-CD2 4.39Å; L924-L927 PolarHBondContact O-N 3.26Å; L924-D928 PolarHBondContact O-N 2.79Å; L924-L931 HydrophobicContact CD1-CD2 4.16Å; L924-L931 HydrophobicContact CD2-CD2 4.45Å; L924-L931 HydrophobicContact CD2-CG 4.26Å; L924-Y932 HydrophobicContact CB-CD2 4.28Å; L924-L935 HydrophobicContact CD2-CD1 3.55Å; L924-A989 HydrophobicContact CD2-CB 4.18Å; L924-M993 HydrophobicContact CB-SD 3.98Å; L924-M993 HydrophobicContact CD1-CG 4.12Å; L924-M993 HydrophobicContact CD1-SD 3.83Å |
| 925 | A | 86.6 | Confident | 83.6 | Confident | 29 Ų | 29 | 42 Ų | 42 | 24% | 0.24 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60 | -30.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E923 L927 K929 Y932 | E923-A925 PolarHBondContact O-N 2.96Å; A925-L927 VanDerWaalsContact C-N 3.33Å; A925-K929 WeakPolarHBondContact O-CG 3.43Å; A925-Y932 HydrophobicContact CB-CD1 3.95Å; A925-Y932 HydrophobicContact CB-CD2 4.28Å; A925-Y932 HydrophobicContact CB-CE1 4.45Å; A925-Y932 HydrophobicContact CB-CG 3.85Å |
| 926 | T | 86.7 | Confident | 84.7 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 29% | 0.288 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -71.6 | -31.1 | 176.8 | 72.6 | 0 | 0 | 0 | 0 | 111.8 | T859 E923 L924 | T859-T926 VanDerWaalsContact CB-O 3.22Å; T859-T926 WeakPolarHBondContact CB-O 3.45Å; T859-T926 PolarHBondContact OG1-O 3.33Å; E923-T926 WeakPolarHBondContact O-CB 3.46Å; E923-T926 PolarHBondContact O-N 3.42Å; E923-T926 PolarHBondContact O-OG1 2.93Å; L924-T926 PolarHBondContact O-N 2.81Å |
| 927 | L | 90.2 | Very high | 86 | Confident | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -80.5 | -54 | 176.1 | 177.5 | 64.2 | 0 | 0 | 0 | 111 | T859 N860 Y865 F904 L924 A925 M993 | T859-L927 HydrophobicContact CG2-CD1 4.04Å; N860-L927 PolarHBondContact ND2-O 3.23Å; Y865-L927 HydrophobicContact CD1-CD1 4.21Å; Y865-L927 HydrophobicContact CD2-CD1 4.48Å; Y865-L927 HydrophobicContact CE1-CD1 3.59Å; Y865-L927 HydrophobicContact CE2-CD1 3.89Å; Y865-L927 VanDerWaalsContact CZ-CD1 3.4Å; F904-L927 HydrophobicContact CE1-CB 4.22Å; F904-L927 HydrophobicContact CE1-CD1 4.17Å; F904-L927 HydrophobicContact CZ-CD1 4.04Å; L924-L927 HydrophobicContact CD1-CD2 4.39Å; L924-L927 PolarHBondContact O-N 3.26Å; A925-L927 VanDerWaalsContact C-N 3.33Å; L927-M993 HydrophobicContact CD2-CG 3.64Å |
| 928 | D | 90.1 | Very high | 87.2 | Confident | 32 Ų | 32 | 42.6 Ų | 42.6 | 17% | 0.171 | 21% | 0.208 | C | C | . | . | trans | -149.3 | 97.2 | -168.4 | -168.8 | -24.6 | 0 | 0 | 0 | 110.8 | N860 L924 E930 L931 Y932 R992 | N860-D928 WeakPolarHBondContact ND2-CA 3.27Å; L924-D928 PolarHBondContact O-N 2.79Å; D928-E930 VanDerWaalsContact C-N 3.29Å; D928-E930 PolarHBondContact O-N 3.5Å; D928-E930 PolarHBondContact OD1-N 3.21Å; D928-L931 HydrophobicContact CB-CB 3.9Å; D928-L931 PolarHBondContact OD1-N 3Å; D928-L931 WeakPolarHBondContact OD2-CB 3.34Å; D928-Y932 WeakPolarHBondContact O-CB 3.4Å; D928-Y932 PolarHBondContact O-N 2.79Å; D928-R992 IonicContact OD2-NH2 3.91Å; D928-R992 PolarHBondContact OD2-NH2 3.33Å | ||
| 929 | K | 89.5 | Confident | 87.7 | Confident | 98 Ų | 98 | 41.9 Ų | 41.9 | 43% | 0.426 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.3 | -30.8 | -176.7 | -68.8 | 177.5 | -178 | 164.7 | 0 | 112.3 | N860 D861 A925 K933 | N860-K929 PolarHBondContact ND2-N 3.22Å; N860-K929 VanDerWaalsContact ND2-N 3.19Å; D861-K929 IonicContact OD1-NZ 2.98Å; D861-K929 PolarHBondContact OD1-NZ 3.31Å; A925-K929 WeakPolarHBondContact O-CG 3.43Å; K929-K933 VanDerWaalsContact O-CG 3.31Å; K929-K933 WeakPolarHBondContact O-CG 3.02Å; K929-K933 PolarHBondContact O-N 3.03Å |
| 930 | E | 90.6 | Very high | 87.9 | Confident | 160 Ų | 160 | 45.7 Ų | 45.7 | 75% | 0.748 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -76.9 | -46.4 | -178.8 | -175.2 | 173.1 | -171.5 | 0 | 0 | 110.8 | D928 Y932 K933 S934 | D928-E930 VanDerWaalsContact C-N 3.29Å; D928-E930 PolarHBondContact O-N 3.5Å; D928-E930 PolarHBondContact OD1-N 3.21Å; E930-Y932 VanDerWaalsContact C-N 3.3Å; E930-Y932 PolarHBondContact O-N 2.92Å; E930-K933 WeakPolarHBondContact O-CB 3.34Å; E930-K933 PolarHBondContact O-N 3.46Å; E930-K933 VanDerWaalsContact O-N 3.16Å; E930-S934 PolarHBondContact O-N 3.25Å |
| 931 | L | 91.2 | Very high | 88.1 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 13% | 0.131 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.1 | -42.1 | 174.4 | -178.8 | 60.1 | 0 | 0 | 0 | 111.5 | L924 D928 K933 S934 L935 Y954 V988 R992 | L924-L931 HydrophobicContact CD1-CD2 4.16Å; L924-L931 HydrophobicContact CD2-CD2 4.45Å; L924-L931 HydrophobicContact CD2-CG 4.26Å; D928-L931 HydrophobicContact CB-CB 3.9Å; D928-L931 PolarHBondContact OD1-N 3Å; D928-L931 WeakPolarHBondContact OD2-CB 3.34Å; L931-K933 PolarHBondContact O-N 3.36Å; L931-S934 PolarHBondContact O-N 2.83Å; L931-L935 HydrophobicContact CD1-CD1 4.44Å; L931-L935 HydrophobicContact CD1-CG 4.2Å; L931-L935 HydrophobicContact CG-CD1 4.38Å; L931-L935 HydrophobicContact CG-CG 4.49Å; L931-L935 WeakPolarHBondContact O-CG 3.33Å; L931-L935 PolarHBondContact O-N 3.22Å; L931-Y954 HydrophobicContact CD1-CE2 4.42Å; L931-Y954 HydrophobicContact CD2-CE2 4.46Å; L931-V988 HydrophobicContact CD1-CG1 4.33Å; L931-V988 HydrophobicContact CD2-CG1 4.45Å; L931-R992 HydrophobicContact CD2-CG 3.88Å |
| 932 | Y | 90.4 | Very high | 87.9 | Confident | 41 Ų | 41 | 55.5 Ų | 55.5 | 16% | 0.161 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.3 | -47 | 174.3 | 177.6 | -100.9 | 0 | 0 | 0 | 111.9 | L921 L924 A925 D928 E930 S934 L935 S936 | L921-Y932 HydrophobicContact CD1-CD2 4.27Å; L921-Y932 HydrophobicContact CD1-CE2 4.38Å; L921-Y932 HydrophobicContact CG-CE2 4.42Å; L924-Y932 HydrophobicContact CB-CD2 4.28Å; A925-Y932 HydrophobicContact CB-CD1 3.95Å; A925-Y932 HydrophobicContact CB-CD2 4.28Å; A925-Y932 HydrophobicContact CB-CE1 4.45Å; A925-Y932 HydrophobicContact CB-CG 3.85Å; D928-Y932 WeakPolarHBondContact O-CB 3.4Å; D928-Y932 PolarHBondContact O-N 2.79Å; E930-Y932 VanDerWaalsContact C-N 3.3Å; E930-Y932 PolarHBondContact O-N 2.92Å; Y932-S934 VanDerWaalsContact C-N 3.35Å; Y932-S934 PolarHBondContact O-N 2.93Å; Y932-L935 PolarHBondContact O-N 3.43Å; Y932-S936 VanDerWaalsContact O-CB 3.27Å; Y932-S936 WeakPolarHBondContact O-CB 3.44Å; Y932-S936 PolarHBondContact O-N 3.19Å; Y932-S936 PolarHBondContact O-OG 3.45Å; Y932-S936 VanDerWaalsContact O-OG 3.06Å |
| 933 | K | 89.9 | Confident | 88.1 | Confident | 152 Ų | 152 | 56.1 Ų | 56.1 | 66% | 0.661 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59 | -44 | 176.3 | -75.7 | 174.1 | -178.8 | -177.6 | 0 | 112.2 | K929 E930 L931 S936 Y937 | K929-K933 VanDerWaalsContact O-CG 3.31Å; K929-K933 WeakPolarHBondContact O-CG 3.02Å; K929-K933 PolarHBondContact O-N 3.03Å; E930-K933 WeakPolarHBondContact O-CB 3.34Å; E930-K933 PolarHBondContact O-N 3.46Å; E930-K933 VanDerWaalsContact O-N 3.16Å; L931-K933 PolarHBondContact O-N 3.36Å; K933-S936 PolarHBondContact O-N 3.25Å; K933-Y937 PolarHBondContact O-N 3.09Å |
| 934 | S | 90.6 | Very high | 88 | Confident | 55 Ų | 55 | 59 Ų | 59 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 177.9 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | E930 L931 Y932 Y937 I938 | E930-S934 PolarHBondContact O-N 3.25Å; L931-S934 PolarHBondContact O-N 2.83Å; Y932-S934 VanDerWaalsContact C-N 3.35Å; Y932-S934 PolarHBondContact O-N 2.93Å; S934-Y937 WeakPolarHBondContact O-CB 3.17Å; S934-Y937 PolarHBondContact O-N 2.73Å; S934-I938 WeakPolarHBondContact O-CG1 3.19Å; S934-I938 PolarHBondContact O-N 3.42Å; S934-I938 VanDerWaalsContact O-N 3.13Å |
| 935 | L | 91 | Very high | 87.8 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.9 | -37.1 | 178 | -67.8 | -174.6 | 0 | 0 | 0 | 112.2 | L921 L924 L931 Y932 Y937 I938 K939 Y984 V985 V988 | L921-L935 HydrophobicContact CD1-CD1 4.38Å; L924-L935 HydrophobicContact CD2-CD1 3.55Å; L931-L935 HydrophobicContact CD1-CD1 4.44Å; L931-L935 HydrophobicContact CD1-CG 4.2Å; L931-L935 HydrophobicContact CG-CD1 4.38Å; L931-L935 HydrophobicContact CG-CG 4.49Å; L931-L935 WeakPolarHBondContact O-CG 3.33Å; L931-L935 PolarHBondContact O-N 3.22Å; Y932-L935 PolarHBondContact O-N 3.43Å; L935-Y937 VanDerWaalsContact C-N 3.31Å; L935-Y937 PolarHBondContact O-N 2.74Å; L935-I938 HydrophobicContact CD2-CD1 4.29Å; L935-I938 PolarHBondContact O-N 2.98Å; L935-K939 WeakPolarHBondContact O-CB 3.26Å; L935-K939 PolarHBondContact O-N 3.43Å; L935-Y984 HydrophobicContact CD2-CE1 4.3Å; L935-V985 HydrophobicContact CB-CG1 4.1Å; L935-V985 HydrophobicContact CB-CG2 4.36Å; L935-V985 HydrophobicContact CD1-CG1 4.39Å; L935-V985 HydrophobicContact CD2-CG2 4.37Å; L935-V988 HydrophobicContact CD1-CB 4.03Å; L935-V988 HydrophobicContact CD1-CG1 3.87Å; L935-V988 HydrophobicContact CD2-CB 4.25Å; L935-V988 HydrophobicContact CD2-CG1 4.22Å; L935-V988 HydrophobicContact CD2-CG2 4.39Å |
| 936 | S | 88.2 | Confident | 87.7 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63 | -37.2 | 173.6 | -71.2 | 0 | 0 | 0 | 0 | 111.8 | Y932 K933 K939 H940 | Y932-S936 VanDerWaalsContact O-CB 3.27Å; Y932-S936 WeakPolarHBondContact O-CB 3.44Å; Y932-S936 PolarHBondContact O-N 3.19Å; Y932-S936 PolarHBondContact O-OG 3.45Å; Y932-S936 VanDerWaalsContact O-OG 3.06Å; K933-S936 PolarHBondContact O-N 3.25Å; S936-K939 PolarHBondContact O-N 2.98Å; S936-H940 PolarHBondContact O-N 2.84Å; S936-H940 VanDerWaalsContact O-N 3.09Å; S936-H940 PolarHBondContact O-ND1 3.16Å |
| 937 | Y | 89.1 | Confident | 87.6 | Confident | 137 Ų | 137 | 62.6 Ų | 62.6 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.5 | -48.3 | 171.6 | 176.9 | -98.1 | 0 | 0 | 0 | 111.6 | K933 S934 L935 K939 H940 Y941 L948 | K933-Y937 PolarHBondContact O-N 3.09Å; S934-Y937 WeakPolarHBondContact O-CB 3.17Å; S934-Y937 PolarHBondContact O-N 2.73Å; L935-Y937 VanDerWaalsContact C-N 3.31Å; L935-Y937 PolarHBondContact O-N 2.74Å; Y937-K939 VanDerWaalsContact C-N 3.33Å; Y937-K939 PolarHBondContact O-N 3.37Å; Y937-H940 CarbonylContact O-C 3.59Å; Y937-H940 PolarHBondContact O-N 3.43Å; Y937-Y941 HydrophobicContact CE1-CD2 4.04Å; Y937-Y941 HydrophobicContact CE1-CE2 4.49Å; Y937-Y941 AromaticContact CZ-CD2 3.83Å; Y937-Y941 WeakPolarHBondContact O-CB 3.49Å; Y937-Y941 PolarHBondContact O-N 3.28Å; Y937-Y941 WeakPolarHBondContact OH-CE2 3.39Å; Y937-L948 HydrophobicContact CE1-CD1 4.13Å; Y937-L948 HydrophobicContact CE1-CD2 4.45Å |
| 938 | I | 88.9 | Confident | 87.5 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 177.1 | -63.7 | 168.1 | 0 | 0 | 0 | 111.2 | S934 L935 H940 Y941 V945 L948 F950 K981 Y984 V985 | S934-I938 WeakPolarHBondContact O-CG1 3.19Å; S934-I938 PolarHBondContact O-N 3.42Å; S934-I938 VanDerWaalsContact O-N 3.13Å; L935-I938 HydrophobicContact CD2-CD1 4.29Å; L935-I938 PolarHBondContact O-N 2.98Å; I938-H940 VanDerWaalsContact C-N 3.32Å; I938-H940 PolarHBondContact O-N 3.47Å; I938-Y941 PolarHBondContact O-N 3.28Å; I938-V945 HydrophobicContact CG2-CG1 3.94Å; I938-L948 HydrophobicContact CG1-CD1 4.4Å; I938-F950 HydrophobicContact CD1-CD2 3.85Å; I938-F950 HydrophobicContact CD1-CE1 4.43Å; I938-F950 HydrophobicContact CD1-CE2 3.45Å; I938-F950 VanDerWaalsContact CD1-CE2 3.45Å; I938-F950 HydrophobicContact CD1-CG 4.49Å; I938-F950 HydrophobicContact CD1-CZ 3.8Å; I938-F950 HydrophobicContact CG1-CD2 4.28Å; I938-F950 HydrophobicContact CG1-CE2 3.76Å; I938-F950 HydrophobicContact CG1-CZ 4.42Å; I938-K981 HydrophobicContact CG2-CB 4.47Å; I938-Y984 HydrophobicContact CD1-CE1 4.04Å; I938-V985 HydrophobicContact CB-CG2 4.48Å; I938-V985 HydrophobicContact CG2-CG2 4.3Å |
| 939 | K | 85.9 | Confident | 87.4 | Confident | 20 Ų | 20 | 71.2 Ų | 71.2 | 9% | 0.087 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 179 | -178.5 | 177 | 172.3 | -176 | 0 | 111.8 | D612 E615 L935 S936 Y937 I982 V985 | D612-K939 IonicContact OD2-NZ 3.86Å; D612-K939 PolarHBondContact OD2-NZ 3.16Å; E615-K939 IonicContact OE1-NZ 2.8Å; E615-K939 IonicContact OE2-NZ 3.87Å; E615-K939 PolarHBondContact OE2-NZ 3.24Å; L935-K939 WeakPolarHBondContact O-CB 3.26Å; L935-K939 PolarHBondContact O-N 3.43Å; S936-K939 PolarHBondContact O-N 2.98Å; Y937-K939 VanDerWaalsContact C-N 3.33Å; Y937-K939 PolarHBondContact O-N 3.37Å; K939-I982 HydrophobicContact CG-CD1 3.97Å; K939-V985 HydrophobicContact CB-CG2 4.44Å |
| 940 | H | 84.7 | Confident | 87.4 | Confident | 87 Ų | 87 | 69.9 Ų | 69.9 | 40% | 0.403 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 10 | -176 | -60 | 94.9 | 0 | 0 | 0 | 114.1 | E615 S936 Y937 I938 D942 | E615-H940 IonicContact OE1-NE2 2.64Å; S936-H940 PolarHBondContact O-N 2.84Å; S936-H940 VanDerWaalsContact O-N 3.09Å; S936-H940 PolarHBondContact O-ND1 3.16Å; Y937-H940 CarbonylContact O-C 3.59Å; Y937-H940 PolarHBondContact O-N 3.43Å; I938-H940 VanDerWaalsContact C-N 3.32Å; I938-H940 PolarHBondContact O-N 3.47Å; H940-D942 PolarHBondContact O-N 3.29Å |
| 941 | Y | 86.6 | Confident | 87.4 | Confident | 54 Ų | 54 | 64.6 Ų | 64.6 | 21% | 0.212 | 33% | 0.327 | C | S | . | . | trans | -65.3 | 121.6 | 177.4 | -171.1 | -112.3 | 0 | 0 | 0 | 110.6 | Y937 I938 G943 D944 V945 L948 K981 | Y937-Y941 HydrophobicContact CE1-CD2 4.04Å; Y937-Y941 HydrophobicContact CE1-CE2 4.49Å; Y937-Y941 AromaticContact CZ-CD2 3.83Å; Y937-Y941 WeakPolarHBondContact O-CB 3.49Å; Y937-Y941 PolarHBondContact O-N 3.28Å; Y937-Y941 WeakPolarHBondContact OH-CE2 3.39Å; I938-Y941 PolarHBondContact O-N 3.28Å; Y941-G943 WeakPolarHBondContact CD1-O 3.41Å; Y941-D944 WeakPolarHBondContact CE1-O 3.42Å; Y941-V945 HydrophobicContact CD1-CG2 3.83Å; Y941-V945 HydrophobicContact CG-CG2 4.42Å; Y941-L948 HydrophobicContact CD1-CD1 4.36Å; Y941-L948 HydrophobicContact CD2-CD1 4.49Å; Y941-L948 HydrophobicContact CE1-CG 4.46Å; Y941-L948 HydrophobicContact CE2-CD2 4.45Å; Y941-L948 HydrophobicContact CG-CD1 4.31Å; Y941-K981 PolarHBondContact O-NZ 3.23Å | ||
| 942 | D | 80.6 | Confident | 87.5 | Confident | 169 Ų | 169 | 64.5 Ų | 64.5 | 90% | 0.904 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -77.5 | -24.1 | -178.3 | -71.8 | -39.5 | 0 | 0 | 0 | 113.1 | H940 | H940-D942 PolarHBondContact O-N 3.29Š|
| 943 | G | 85.3 | Confident | 87.6 | Confident | 31 Ų | 31 | 63.1 Ų | 63.1 | 32% | 0.32 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -81.4 | -167 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y941 V945 N978 | Y941-G943 WeakPolarHBondContact CD1-O 3.41Å; G943-V945 PolarHBondContact O-N 3.4Å; G943-N978 PolarHBondContact O-ND2 2.81Å |
| 944 | D | 82.4 | Confident | 87.7 | Confident | 66 Ų | 66 | 57.4 Ų | 57.4 | 35% | 0.353 | 30% | 0.297 | S | S | . | . | trans | -81.4 | 116.5 | 169.9 | -163.3 | 19.4 | 0 | 0 | 0 | 111.3 | Y941 S946 D947 N978 | Y941-D944 WeakPolarHBondContact CE1-O 3.42Å; D944-S946 PolarHBondContact O-N 3.46Å; D944-S946 PolarHBondContact OD1-OG 3.35Å; D944-S946 VanDerWaalsContact OD2-CB 3.26Å; D944-S946 WeakPolarHBondContact OD2-CB 3.5Å; D944-S946 PolarHBondContact OD2-OG 3.3Å; D944-D947 VanDerWaalsContact O-CB 3.24Å; D944-D947 WeakPolarHBondContact O-CB 3.31Å; D944-D947 VanDerWaalsContact O-CG 3.25Å; D944-D947 PolarHBondContact O-N 3Å; D944-N978 WeakPolarHBondContact CA-ND2 3.45Å; D944-N978 PolarHBondContact OD1-ND2 3.35Å | ||
| 945 | V | 85 | Confident | 87.7 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -60.6 | -22 | -179.7 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | I938 Y941 G943 D947 L948 V976 K981 | I938-V945 HydrophobicContact CG2-CG1 3.94Å; Y941-V945 HydrophobicContact CD1-CG2 3.83Å; Y941-V945 HydrophobicContact CG-CG2 4.42Å; G943-V945 PolarHBondContact O-N 3.4Å; V945-D947 PolarHBondContact O-N 2.86Å; V945-D947 VanDerWaalsContact O-N 3.16Å; V945-L948 HydrophobicContact CG1-CD1 4.41Å; V945-L948 WeakPolarHBondContact O-CB 3.45Å; V945-L948 PolarHBondContact O-N 2.99Å; V945-V976 CarbonylContact C-O 3.27Å; V945-V976 HydrophobicContact CG1-CB 4.33Å; V945-V976 HydrophobicContact CG1-CG1 3.76Å; V945-K981 HydrophobicContact CG1-CB 4.39Å; V945-K981 HydrophobicContact CG2-CB 4.17Å; V945-K981 HydrophobicContact CG2-CD 3.56Å |
| 946 | S | 84.7 | Confident | 87.6 | Confident | 40 Ų | 40 | 58.8 Ų | 58.8 | 28% | 0.28 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -53.9 | -30.6 | 171.3 | -40.7 | 0 | 0 | 0 | 0 | 112.6 | D944 L948 E949 V976 | D944-S946 PolarHBondContact O-N 3.46Å; D944-S946 PolarHBondContact OD1-OG 3.35Å; D944-S946 VanDerWaalsContact OD2-CB 3.26Å; D944-S946 WeakPolarHBondContact OD2-CB 3.5Å; D944-S946 PolarHBondContact OD2-OG 3.3Å; S946-L948 PolarHBondContact O-N 2.66Å; S946-E949 PolarHBondContact O-N 3.43Å; S946-V976 PolarHBondContact N-O 2.61Å |
| 947 | D | 85.7 | Confident | 87.6 | Confident | 111 Ų | 111 | 63.1 Ų | 63.1 | 59% | 0.594 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -68.1 | -20.7 | 178.7 | -58.4 | -25.8 | 0 | 0 | 0 | 112.8 | D944 V945 E949 | D944-D947 VanDerWaalsContact O-CB 3.24Å; D944-D947 WeakPolarHBondContact O-CB 3.31Å; D944-D947 VanDerWaalsContact O-CG 3.25Å; D944-D947 PolarHBondContact O-N 3Å; V945-D947 PolarHBondContact O-N 2.86Å; V945-D947 VanDerWaalsContact O-N 3.16Å; D947-E949 PolarHBondContact O-N 3.45Å |
| 948 | L | 87.1 | Confident | 87.3 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -83.7 | -1 | 178.1 | -55.9 | 177.1 | 0 | 0 | 0 | 112.5 | Y937 I938 Y941 V945 S946 F950 | Y937-L948 HydrophobicContact CE1-CD1 4.13Å; Y937-L948 HydrophobicContact CE1-CD2 4.45Å; I938-L948 HydrophobicContact CG1-CD1 4.4Å; Y941-L948 HydrophobicContact CD1-CD1 4.36Å; Y941-L948 HydrophobicContact CD2-CD1 4.49Å; Y941-L948 HydrophobicContact CE1-CG 4.46Å; Y941-L948 HydrophobicContact CE2-CD2 4.45Å; Y941-L948 HydrophobicContact CG-CD1 4.31Å; V945-L948 HydrophobicContact CG1-CD1 4.41Å; V945-L948 WeakPolarHBondContact O-CB 3.45Å; V945-L948 PolarHBondContact O-N 2.99Å; S946-L948 PolarHBondContact O-N 2.66Å; L948-F950 HydrophobicContact CB-CD2 3.51Å; L948-F950 HydrophobicContact CB-CE2 3.56Å; L948-F950 HydrophobicContact CD1-CD2 4.24Å; L948-F950 HydrophobicContact CD1-CE2 3.88Å; L948-F950 HydrophobicContact CG-CE2 4.32Å; L948-F950 PolarHBondContact O-N 3.4Å |
| 949 | E | 87.2 | Confident | 87 | Confident | 174 Ų | 174 | 65.4 Ų | 65.4 | 81% | 0.813 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 25 | 176.2 | -59.3 | -171.8 | 158.6 | 0 | 0 | 115 | S946 D947 | S946-E949 PolarHBondContact O-N 3.43Å; D947-E949 PolarHBondContact O-N 3.45Å |
| 950 | F | 90.6 | Very high | 87.1 | Confident | 69 Ų | 69 | 67.6 Ų | 67.6 | 30% | 0.303 | 38% | 0.38 | S | S | . | . | trans | -70.8 | 140.7 | 173.7 | -70.8 | -65.4 | 0 | 0 | 0 | 111.5 | I938 L948 S975 V976 | I938-F950 HydrophobicContact CD1-CD2 3.85Å; I938-F950 HydrophobicContact CD1-CE1 4.43Å; I938-F950 HydrophobicContact CD1-CE2 3.45Å; I938-F950 VanDerWaalsContact CD1-CE2 3.45Å; I938-F950 HydrophobicContact CD1-CG 4.49Å; I938-F950 HydrophobicContact CD1-CZ 3.8Å; I938-F950 HydrophobicContact CG1-CD2 4.28Å; I938-F950 HydrophobicContact CG1-CE2 3.76Å; I938-F950 HydrophobicContact CG1-CZ 4.42Å; L948-F950 HydrophobicContact CB-CD2 3.51Å; L948-F950 HydrophobicContact CB-CE2 3.56Å; L948-F950 HydrophobicContact CD1-CD2 4.24Å; L948-F950 HydrophobicContact CD1-CE2 3.88Å; L948-F950 HydrophobicContact CG-CE2 4.32Å; L948-F950 PolarHBondContact O-N 3.4Å; F950-S975 WeakPolarHBondContact O-CA 3.24Å; F950-V976 HydrophobicContact CB-CB 3.99Å; F950-V976 HydrophobicContact CB-CG2 3.8Å; F950-V976 PolarHBondContact O-N 3.28Å | ||
| 951 | T | 91.2 | Very high | 87.2 | Confident | 49 Ų | 49 | 69.9 Ų | 69.9 | 30% | 0.301 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -106.5 | 161 | 169.1 | 54.9 | 0 | 0 | 0 | 0 | 110.4 | S953 R972 I974 Y984 | T951-S953 PolarHBondContact O-N 3.38Å; T951-S953 PolarHBondContact OG1-OG 3.19Å; T951-R972 WeakPolarHBondContact CG2-O 3.47Å; T951-I974 CarbonylContact C-O 3.59Å; T951-I974 VanDerWaalsContact CA-O 3.31Å; T951-I974 WeakPolarHBondContact CA-O 3.3Å; T951-Y984 VanDerWaalsContact O-CE2 3.24Å; T951-Y984 WeakPolarHBondContact O-CE2 3.37Å |
| 952 | Y | 91.8 | Very high | 87.4 | Confident | 23 Ų | 23 | 72 Ų | 72 | 9% | 0.09 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -75.2 | 44.7 | 178.4 | -141.7 | -88.4 | 0 | 0 | 0 | 112.5 | L967 C968 G971 I974 V976 S983 Y984 S987 | Y952-L967 HydrophobicContact CD1-CB 3.7Å; Y952-L967 HydrophobicContact CD1-CD1 4.4Å; Y952-L967 HydrophobicContact CE1-CB 3.94Å; Y952-L967 WeakPolarHBondContact O-CB 3.37Å; Y952-L967 PolarHBondContact O-N 3.42Å; Y952-C968 HydrophobicContact CD1-CB 4.07Å; Y952-C968 WeakPolarHBondContact CD1-SG 3.19Å; Y952-C968 HydrophobicContact CE1-CB 4.16Å; Y952-G971 CarbonylContact C-O 3.49Å; Y952-G971 WeakPolarHBondContact CA-O 3.42Å; Y952-G971 WeakPolarHBondContact CB-O 3.34Å; Y952-G971 PolarHBondContact N-O 3.44Å; Y952-G971 CarbonylContact O-C 3.56Å; Y952-G971 VanDerWaalsContact O-CA 3.31Å; Y952-G971 WeakPolarHBondContact O-CA 3.23Å; Y952-I974 PolarHBondContact N-O 3.08Å; Y952-V976 HydrophobicContact CD2-CG2 4.46Å; Y952-S983 WeakPolarHBondContact OH-CB 3.24Å; Y952-S983 PolarHBondContact OH-O 3.25Å; Y952-S983 VanDerWaalsContact OH-O 3.07Å; Y952-S983 PolarHBondContact OH-OG 3.03Å; Y952-S983 VanDerWaalsContact OH-OG 3.08Å; Y952-Y984 AromaticContact CD2-CD2 3.96Å; Y952-Y984 HydrophobicContact CD2-CD2 3.96Å; Y952-Y984 HydrophobicContact CE2-CD2 4.26Å; Y952-Y984 HydrophobicContact CE2-CG 4.5Å; Y952-Y984 HydrophobicContact CG-CD2 4.29Å; Y952-Y984 PolarHBondContact OH-N 3.16Å; Y952-S987 PolarHBondContact OH-OG 3.46Å |
| 953 | S | 93 | Very high | 87.9 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 161.4 | 178.8 | 55.3 | 0 | 0 | 0 | 0 | 110.7 | T951 H965 | T951-S953 PolarHBondContact O-N 3.38Å; T951-S953 PolarHBondContact OG1-OG 3.19Å; S953-H965 CarbonylContact C-O 3.59Å; S953-H965 WeakPolarHBondContact CA-O 3.44Å; S953-H965 WeakPolarHBondContact CB-O 3.38Å |
| 954 | Y | 92.6 | Very high | 88.2 | Confident | 31 Ų | 31 | 69.6 Ų | 69.6 | 12% | 0.122 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 121.8 | 176.5 | -177.1 | -92.5 | 0 | 0 | 0 | 109.6 | L931 E956 H965 V988 F991 R992 | L931-Y954 HydrophobicContact CD1-CE2 4.42Å; L931-Y954 HydrophobicContact CD2-CE2 4.46Å; Y954-E956 HydrophobicContact CD1-CB 4.25Å; Y954-E956 HydrophobicContact CE1-CB 3.9Å; Y954-E956 HydrophobicContact CE1-CG 4.41Å; Y954-H965 PolarHBondContact N-O 3.42Å; Y954-H965 PolarHBondContact O-N 2.94Å; Y954-V988 HydrophobicContact CD2-CG1 3.79Å; Y954-V988 HydrophobicContact CE2-CG1 4Å; Y954-F991 AromaticContact CD1-CD1 3.92Å; Y954-F991 HydrophobicContact CD1-CD1 3.92Å; Y954-F991 AromaticContact CD1-CE1 3.53Å; Y954-F991 HydrophobicContact CD1-CE1 3.53Å; Y954-F991 HydrophobicContact CE1-CE1 4.2Å; Y954-F991 HydrophobicContact CG-CD1 4.01Å; Y954-F991 HydrophobicContact CG-CE1 4.05Å; Y954-R992 HydrophobicContact CE2-CG 4.12Å; Y954-R992 WeakPolarHBondContact OH-CD 3.39Å; Y954-R992 PolarHBondContact OH-NE 2.78Å; Y954-R992 VanDerWaalsContact OH-NE 3.07Å |
| 955 | A | 90.9 | Very high | 88.7 | Confident | 62 Ų | 62 | 69.1 Ų | 69.1 | 51% | 0.512 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 124.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V962 I963 I964 | A955-V962 HydrophobicContact CB-CG1 4.06Å; A955-I963 WeakPolarHBondContact CA-O 3.42Å; A955-I964 HydrophobicContact CB-CG1 4.48Å |
| 956 | E | 88.8 | Confident | 89.1 | Confident | 26 Ų | 26 | 71.6 Ų | 71.6 | 12% | 0.121 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.4 | 178.4 | -172.5 | 168.6 | -137.9 | 0 | 0 | 109.9 | Y954 V962 I963 H965 R992 Q996 | Y954-E956 HydrophobicContact CD1-CB 4.25Å; Y954-E956 HydrophobicContact CE1-CB 3.9Å; Y954-E956 HydrophobicContact CE1-CG 4.41Å; E956-V962 CarbonylContact O-C 3.5Å; E956-V962 WeakPolarHBondContact O-CA 3.37Å; E956-I963 PolarHBondContact N-O 2.8Å; E956-I963 PolarHBondContact O-N 2.7Å; E956-H965 IonicContact OE2-NE2 3.96Å; E956-R992 IonicContact OE1-NH1 2.65Å; E956-Q996 PolarHBondContact OE1-NE2 3.49Å; E956-Q996 PolarHBondContact OE2-NE2 3.24Å |
| 957 | D | 87.1 | Confident | 89.5 | Confident | 112 Ų | 112 | 70 Ų | 70 | 60% | 0.599 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 111 | 168.8 | -173.9 | -15.7 | 0 | 0 | 0 | 109.5 | G960 | D957-G960 WeakPolarHBondContact OD1-CA 3.32Å; D957-G960 PolarHBondContact OD1-N 3.08Å |
| 958 | C | 82.5 | Confident | 89.5 | Confident | 28 Ų | 28 | 66.6 Ų | 66.6 | 19% | 0.189 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 104 | 174.9 | -74.6 | 0 | 0 | 0 | 0 | 109.2 | G960 Q961 I963 | C958-G960 PolarHBondContact O-N 3.27Å; C958-Q961 PolarHBondContact N-O 3.29Å; C958-Q961 PolarHBondContact O-N 3.24Å; C958-I963 HydrophobicContact CB-CD1 3.73Å; C958-I963 HydrophobicContact CB-CG1 4.28Å |
| 959 | L | 84.2 | Confident | 89.5 | Confident | 158 Ų | 158 | 70.4 Ų | 70.4 | 83% | 0.827 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 35.5 | 177.5 | -56.5 | 172.7 | 0 | 0 | 0 | 113.6 | L872 Q961 | L872-L959 HydrophobicContact CD1-CD1 4.14Å; L959-Q961 VanDerWaalsContact C-N 3.34Å |
| 960 | G | 86.6 | Confident | 89.5 | Confident | 67 Ų | 67 | 63.9 Ų | 63.9 | 69% | 0.691 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | -3.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D957 C958 | D957-G960 WeakPolarHBondContact OD1-CA 3.32Å; D957-G960 PolarHBondContact OD1-N 3.08Å; C958-G960 PolarHBondContact O-N 3.27Å |
| 961 | Q | 88.1 | Confident | 89.4 | Confident | 135 Ų | 135 | 60.6 Ų | 60.6 | 63% | 0.631 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 120.5 | 173 | -174 | 177.9 | 3.7 | 0 | 0 | 110.2 | C958 L959 I963 | C958-Q961 PolarHBondContact N-O 3.29Å; C958-Q961 PolarHBondContact O-N 3.24Å; L959-Q961 VanDerWaalsContact C-N 3.34Å; Q961-I963 HydrophobicContact CG-CG1 4.36Å; Q961-I963 PolarHBondContact O-N 3.02Å |
| 962 | V | 90.4 | Very high | 89.4 | Confident | 97 Ų | 97 | 64.2 Ų | 64.2 | 59% | 0.588 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 110.8 | 173.5 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | A955 E956 | A955-V962 HydrophobicContact CB-CG1 4.06Å; E956-V962 CarbonylContact O-C 3.5Å; E956-V962 WeakPolarHBondContact O-CA 3.37Å |
| 963 | I | 91.5 | Very high | 89.3 | Confident | 60 Ų | 60 | 70.9 Ų | 70.9 | 31% | 0.308 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 125.8 | 176 | -55.4 | -179.7 | 0 | 0 | 0 | 108.6 | A955 E956 C958 Q961 H965 | A955-I963 WeakPolarHBondContact CA-O 3.42Å; E956-I963 PolarHBondContact N-O 2.8Å; E956-I963 PolarHBondContact O-N 2.7Å; C958-I963 HydrophobicContact CB-CD1 3.73Å; C958-I963 HydrophobicContact CB-CG1 4.28Å; Q961-I963 HydrophobicContact CG-CG1 4.36Å; Q961-I963 PolarHBondContact O-N 3.02Å; I963-H965 WeakPolarHBondContact CG2-NE2 3.46Å |
| 964 | I | 91.9 | Very high | 89 | Confident | 90 Ų | 90 | 73.7 Ų | 73.7 | 46% | 0.462 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 118.6 | 178.8 | -56.7 | 174.4 | 0 | 0 | 0 | 109.4 | A955 | A955-I964 HydrophobicContact CB-CG1 4.48Å |
| 965 | H | 92.5 | Very high | 89 | Confident | 56 Ų | 56 | 75.8 Ų | 75.8 | 26% | 0.259 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 120.2 | 177.8 | -61.9 | -83.8 | 0 | 0 | 0 | 111 | S953 Y954 E956 I963 L967 F991 | S953-H965 CarbonylContact C-O 3.59Å; S953-H965 WeakPolarHBondContact CA-O 3.44Å; S953-H965 WeakPolarHBondContact CB-O 3.38Å; Y954-H965 PolarHBondContact N-O 3.42Å; Y954-H965 PolarHBondContact O-N 2.94Å; E956-H965 IonicContact OE2-NE2 3.96Å; I963-H965 WeakPolarHBondContact CG2-NE2 3.46Å; H965-L967 PolarHBondContact O-N 3.41Å; H965-F991 HydrophobicContact CB-CE1 4.18Å; H965-F991 HydrophobicContact CB-CE2 3.89Å; H965-F991 HydrophobicContact CB-CZ 3.53Å; H965-F991 AromaticContact CD2-CZ 3.73Å; H965-F991 AromaticContact CG-CZ 3.4Å; H965-F991 AromaticContact ND1-CZ 3.8Å |
| 966 | D | 93.8 | Very high | 88.9 | Confident | 53 Ų | 53 | 72.9 Ų | 72.9 | 28% | 0.283 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 121.5 | 172.9 | -67.9 | -47.8 | 0 | 0 | 0 | 110.2 | C968 R972 | D966-C968 VanDerWaalsContact C-N 3.32Å; D966-C968 WeakPolarHBondContact CB-O 3.28Å; D966-C968 PolarHBondContact O-N 3.23Å; D966-R972 VanDerWaalsContact OD1-CB 3.27Å; D966-R972 WeakPolarHBondContact OD1-CB 3.48Å; D966-R972 IonicContact OD1-CZ 3.46Å; D966-R972 PolarHBondContact OD1-N 3.36Å; D966-R972 IonicContact OD1-NE 3.28Å; D966-R972 PolarHBondContact OD1-NE 3.48Å; D966-R972 VanDerWaalsContact OD1-NE 3.12Å; D966-R972 IonicContact OD1-NH2 2.78Å; D966-R972 IonicContact OD2-CZ 2.8Å; D966-R972 IonicContact OD2-NE 3.57Å; D966-R972 PolarHBondContact OD2-NE 3.06Å; D966-R972 VanDerWaalsContact OD2-NE 3.08Å; D966-R972 IonicContact OD2-NH2 2.78Å; D966-R972 PolarHBondContact OD2-NH2 3.26Å |
| 967 | L | 91.3 | Very high | 88.8 | Confident | 7 Ų | 7 | 73.9 Ų | 73.9 | 4% | 0.037 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -74.4 | -26.7 | -177.6 | -63.2 | 171.2 | 0 | 0 | 0 | 112.2 | Y952 H965 Y984 V988 F991 K995 | Y952-L967 HydrophobicContact CD1-CB 3.7Å; Y952-L967 HydrophobicContact CD1-CD1 4.4Å; Y952-L967 HydrophobicContact CE1-CB 3.94Å; Y952-L967 WeakPolarHBondContact O-CB 3.37Å; Y952-L967 PolarHBondContact O-N 3.42Å; H965-L967 PolarHBondContact O-N 3.41Å; L967-Y984 HydrophobicContact CD1-CD2 3.92Å; L967-Y984 HydrophobicContact CD1-CE2 3.76Å; L967-V988 HydrophobicContact CD1-CG2 3.59Å; L967-F991 HydrophobicContact CD2-CB 3.58Å; L967-F991 HydrophobicContact CD2-CD1 4.32Å; L967-F991 HydrophobicContact CD2-CD2 4.27Å; L967-F991 HydrophobicContact CD2-CG 3.81Å; L967-K995 PolarHBondContact O-NZ 3.04Å |
| 968 | C | 87.3 | Confident | 88.6 | Confident | 39 Ų | 39 | 71.5 Ų | 71.5 | 26% | 0.264 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -135.5 | 165 | 170 | 67.3 | 0 | 0 | 0 | 0 | 109.4 | Y952 D966 G970 G971 | Y952-C968 HydrophobicContact CD1-CB 4.07Å; Y952-C968 WeakPolarHBondContact CD1-SG 3.19Å; Y952-C968 HydrophobicContact CE1-CB 4.16Å; D966-C968 VanDerWaalsContact C-N 3.32Å; D966-C968 WeakPolarHBondContact CB-O 3.28Å; D966-C968 PolarHBondContact O-N 3.23Å; C968-G970 PolarHBondContact O-N 3.35Å; C968-G970 VanDerWaalsContact O-N 3.13Å; C968-G971 PolarHBondContact O-N 3.07Å |
| 969 | P | 85.8 | Confident | 88.4 | Confident | 129 Ų | 129 | 77.8 Ų | 77.8 | 84% | 0.838 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 121.4 | 178.7 | -25.7 | 35.1 | 0 | 0 | 0 | 112 | G971 | P969-G971 VanDerWaalsContact C-N 3.3Å; P969-G971 PolarHBondContact O-N 2.97Å |
| 970 | G | 87.8 | Confident | 88.4 | Confident | 38 Ų | 38 | 72.3 Ų | 72.3 | 39% | 0.392 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 16.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | C968 R972 Q973 | C968-G970 PolarHBondContact O-N 3.35Å; C968-G970 VanDerWaalsContact O-N 3.13Å; G970-R972 VanDerWaalsContact C-N 3.25Å; G970-R972 PolarHBondContact O-N 3.24Å; G970-R972 VanDerWaalsContact O-N 3.11Å; G970-Q973 PolarHBondContact O-N 2.8Å |
| 971 | G | 88.5 | Confident | 88.4 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -53.2 | -32.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y952 C968 P969 Q973 I974 | Y952-G971 CarbonylContact C-O 3.49Å; Y952-G971 WeakPolarHBondContact CA-O 3.42Å; Y952-G971 WeakPolarHBondContact CB-O 3.34Å; Y952-G971 PolarHBondContact N-O 3.44Å; Y952-G971 CarbonylContact O-C 3.56Å; Y952-G971 VanDerWaalsContact O-CA 3.31Å; Y952-G971 WeakPolarHBondContact O-CA 3.23Å; C968-G971 PolarHBondContact O-N 3.07Å; P969-G971 VanDerWaalsContact C-N 3.3Å; P969-G971 PolarHBondContact O-N 2.97Å; G971-Q973 PolarHBondContact O-N 3.41Å; G971-Q973 VanDerWaalsContact O-N 3.11Å; G971-I974 PolarHBondContact O-N 3.25Å |
| 972 | R | 90.9 | Very high | 88.2 | Confident | 125 Ų | 125 | 67.4 Ų | 67.4 | 47% | 0.472 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -57.4 | -20.8 | 172.4 | 70.2 | -174.2 | 77.3 | -171.3 | 4.3 | 115.2 | T951 D966 G970 | T951-R972 WeakPolarHBondContact CG2-O 3.47Å; D966-R972 VanDerWaalsContact OD1-CB 3.27Å; D966-R972 WeakPolarHBondContact OD1-CB 3.48Å; D966-R972 IonicContact OD1-CZ 3.46Å; D966-R972 PolarHBondContact OD1-N 3.36Å; D966-R972 IonicContact OD1-NE 3.28Å; D966-R972 PolarHBondContact OD1-NE 3.48Å; D966-R972 VanDerWaalsContact OD1-NE 3.12Å; D966-R972 IonicContact OD1-NH2 2.78Å; D966-R972 IonicContact OD2-CZ 2.8Å; D966-R972 IonicContact OD2-NE 3.57Å; D966-R972 PolarHBondContact OD2-NE 3.06Å; D966-R972 VanDerWaalsContact OD2-NE 3.08Å; D966-R972 IonicContact OD2-NH2 2.78Å; D966-R972 PolarHBondContact OD2-NH2 3.26Å; G970-R972 VanDerWaalsContact C-N 3.25Å; G970-R972 PolarHBondContact O-N 3.24Å; G970-R972 VanDerWaalsContact O-N 3.11Å |
| 973 | Q | 89.6 | Confident | 87.9 | Confident | 162 Ų | 162 | 65.3 Ų | 65.3 | 76% | 0.757 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -98.5 | 1.3 | 178.7 | -58.5 | -58.3 | -30.6 | 0 | 0 | 112.9 | G970 G971 | G970-Q973 PolarHBondContact O-N 2.8Å; G971-Q973 PolarHBondContact O-N 3.41Å; G971-Q973 VanDerWaalsContact O-N 3.11Å |
| 974 | I | 88.1 | Confident | 87.9 | Confident | 73 Ų | 73 | 63.2 Ų | 63.2 | 37% | 0.374 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -109.4 | 109.3 | -177.5 | -57.1 | 175.9 | 0 | 0 | 0 | 108 | T951 Y952 G971 | T951-I974 CarbonylContact C-O 3.59Å; T951-I974 VanDerWaalsContact CA-O 3.31Å; T951-I974 WeakPolarHBondContact CA-O 3.3Å; Y952-I974 PolarHBondContact N-O 3.08Å; G971-I974 PolarHBondContact O-N 3.25Å |
| 975 | S | 91 | Very high | 87.8 | Confident | 75 Ų | 75 | 59 Ų | 59 | 52% | 0.524 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -68.8 | 140.8 | 173.2 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | F950 T977 | F950-S975 WeakPolarHBondContact O-CA 3.24Å; S975-T977 PolarHBondContact O-N 3.13Å |
| 976 | V | 89.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -79.2 | 107.5 | 176.9 | -177.5 | 0 | 0 | 0 | 0 | 109 | V945 S946 F950 Y952 V980 K981 Y984 | V945-V976 CarbonylContact C-O 3.27Å; V945-V976 HydrophobicContact CG1-CB 4.33Å; V945-V976 HydrophobicContact CG1-CG1 3.76Å; S946-V976 PolarHBondContact N-O 2.61Å; F950-V976 HydrophobicContact CB-CB 3.99Å; F950-V976 HydrophobicContact CB-CG2 3.8Å; F950-V976 PolarHBondContact O-N 3.28Å; Y952-V976 HydrophobicContact CD2-CG2 4.46Å; V976-V980 HydrophobicContact CG1-CG2 4.38Å; V976-K981 HydrophobicContact CG1-CB 4.21Å; V976-Y984 HydrophobicContact CG1-CD1 4.14Å; V976-Y984 HydrophobicContact CG1-CG 4.03Å; V976-Y984 HydrophobicContact CG2-CD1 4.17Å; V976-Y984 HydrophobicContact CG2-CD2 3.58Å; V976-Y984 HydrophobicContact CG2-CE1 4.48Å; V976-Y984 HydrophobicContact CG2-CE2 3.93Å; V976-Y984 HydrophobicContact CG2-CG 3.71Å | ||
| 977 | T | 87.5 | Confident | 87.4 | Confident | 48 Ų | 48 | 57.7 Ų | 57.7 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | trans | -98.7 | 169.6 | 174.6 | 70.7 | 0 | 0 | 0 | 0 | 111.3 | S975 D979 V980 K981 | S975-T977 PolarHBondContact O-N 3.13Å; T977-D979 PolarHBondContact O-N 3.16Å; T977-D979 VanDerWaalsContact O-N 3.12Å; T977-D979 PolarHBondContact OG1-N 2.91Å; T977-V980 VanDerWaalsContact N-CG2 3.29Å; T977-V980 CarbonylContact O-C 3.42Å; T977-V980 PolarHBondContact O-N 3.09Å; T977-K981 PolarHBondContact O-N 3.49Å | ||
| 978 | N | 82.5 | Confident | 87.4 | Confident | 61 Ų | 61 | 57.4 Ų | 57.4 | 33% | 0.326 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.1 | 173.3 | -93.9 | -41.9 | 0 | 0 | 0 | 114.8 | G943 D944 K981 | G943-N978 PolarHBondContact O-ND2 2.81Å; D944-N978 WeakPolarHBondContact CA-ND2 3.45Å; D944-N978 PolarHBondContact OD1-ND2 3.35Å; N978-K981 WeakPolarHBondContact OD1-CD 3.35Å; N978-K981 WeakPolarHBondContact OD1-CE 3.27Å; N978-K981 PolarHBondContact OD1-NZ 3.37Å |
| 979 | D | 77.9 | Confident | 87.6 | Confident | 160 Ų | 160 | 55.5 Ų | 55.5 | 86% | 0.856 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -26.8 | 178.3 | -68 | -41.1 | 0 | 0 | 0 | 112.6 | T977 | T977-D979 PolarHBondContact O-N 3.16Å; T977-D979 VanDerWaalsContact O-N 3.12Å; T977-D979 PolarHBondContact OG1-N 2.91Å |
| 980 | V | 83.3 | Confident | 87.9 | Confident | 43 Ų | 43 | 52.3 Ų | 52.3 | 26% | 0.261 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -3.2 | -177.1 | -60 | 0 | 0 | 0 | 0 | 113.8 | V976 T977 I982 S983 Y984 | V976-V980 HydrophobicContact CG1-CG2 4.38Å; T977-V980 VanDerWaalsContact N-CG2 3.29Å; T977-V980 CarbonylContact O-C 3.42Å; T977-V980 PolarHBondContact O-N 3.09Å; V980-I982 VanDerWaalsContact C-N 3.27Å; V980-I982 PolarHBondContact O-N 3.37Å; V980-S983 PolarHBondContact O-N 3.27Å; V980-S983 VanDerWaalsContact O-N 3.13Å; V980-S983 PolarHBondContact O-OG 3.01Å; V980-Y984 PolarHBondContact O-N 2.89Å |
| 981 | K | 87.2 | Confident | 88.1 | Confident | 30 Ų | 30 | 51.3 Ų | 51.3 | 13% | 0.13 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.8 | -39.1 | -176.1 | 73.8 | 179 | -179.7 | -172.9 | 0 | 113.6 | I938 Y941 V945 V976 T977 N978 Y984 V985 | I938-K981 HydrophobicContact CG2-CB 4.47Å; Y941-K981 PolarHBondContact O-NZ 3.23Å; V945-K981 HydrophobicContact CG1-CB 4.39Å; V945-K981 HydrophobicContact CG2-CB 4.17Å; V945-K981 HydrophobicContact CG2-CD 3.56Å; V976-K981 HydrophobicContact CG1-CB 4.21Å; T977-K981 PolarHBondContact O-N 3.49Å; N978-K981 WeakPolarHBondContact OD1-CD 3.35Å; N978-K981 WeakPolarHBondContact OD1-CE 3.27Å; N978-K981 PolarHBondContact OD1-NZ 3.37Å; K981-Y984 WeakPolarHBondContact O-CB 3.25Å; K981-Y984 PolarHBondContact O-N 3.4Å; K981-V985 WeakPolarHBondContact O-CG2 3.25Å; K981-V985 PolarHBondContact O-N 3.21Å |
| 982 | I | 84.7 | Confident | 88.3 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 36% | 0.359 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.9 | -45.4 | 179.3 | -56.4 | -58.4 | 0 | 0 | 0 | 110.7 | K939 V980 Y984 V985 H986 | K939-I982 HydrophobicContact CG-CD1 3.97Å; V980-I982 VanDerWaalsContact C-N 3.27Å; V980-I982 PolarHBondContact O-N 3.37Å; I982-Y984 VanDerWaalsContact C-N 3.29Å; I982-Y984 PolarHBondContact O-N 3.45Å; I982-V985 PolarHBondContact O-N 3.05Å; I982-H986 PolarHBondContact O-CD2 3.28Å; I982-H986 PolarHBondContact O-N 3.07Å; I982-H986 VanDerWaalsContact O-N 3.14Å |
| 983 | S | 84.6 | Confident | 88.4 | Confident | 53 Ų | 53 | 46.7 Ų | 46.7 | 37% | 0.371 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.9 | -35.3 | 178.5 | 66.8 | 0 | 0 | 0 | 0 | 111.8 | Y952 V980 S987 | Y952-S983 WeakPolarHBondContact OH-CB 3.24Å; Y952-S983 PolarHBondContact OH-O 3.25Å; Y952-S983 VanDerWaalsContact OH-O 3.07Å; Y952-S983 PolarHBondContact OH-OG 3.03Å; Y952-S983 VanDerWaalsContact OH-OG 3.08Å; V980-S983 PolarHBondContact O-N 3.27Å; V980-S983 VanDerWaalsContact O-N 3.13Å; V980-S983 PolarHBondContact O-OG 3.01Å; S983-S987 VanDerWaalsContact O-CB 3.23Å; S983-S987 WeakPolarHBondContact O-CB 3.4Å; S983-S987 PolarHBondContact O-N 3.16Å; S983-S987 PolarHBondContact O-OG 2.88Å |
| 984 | Y | 90.7 | Very high | 88.5 | Confident | 16 Ų | 16 | 40.9 Ų | 40.9 | 6% | 0.063 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.9 | -53.1 | 173.1 | 173.3 | -103.3 | 0 | 0 | 0 | 111.4 | L935 I938 T951 Y952 L967 V976 V980 K981 I982 H986 S987 V988 | L935-Y984 HydrophobicContact CD2-CE1 4.3Å; I938-Y984 HydrophobicContact CD1-CE1 4.04Å; T951-Y984 VanDerWaalsContact O-CE2 3.24Å; T951-Y984 WeakPolarHBondContact O-CE2 3.37Å; Y952-Y984 AromaticContact CD2-CD2 3.96Å; Y952-Y984 HydrophobicContact CD2-CD2 3.96Å; Y952-Y984 HydrophobicContact CE2-CD2 4.26Å; Y952-Y984 HydrophobicContact CE2-CG 4.5Å; Y952-Y984 HydrophobicContact CG-CD2 4.29Å; Y952-Y984 PolarHBondContact OH-N 3.16Å; L967-Y984 HydrophobicContact CD1-CD2 3.92Å; L967-Y984 HydrophobicContact CD1-CE2 3.76Å; V976-Y984 HydrophobicContact CG1-CD1 4.14Å; V976-Y984 HydrophobicContact CG1-CG 4.03Å; V976-Y984 HydrophobicContact CG2-CD1 4.17Å; V976-Y984 HydrophobicContact CG2-CD2 3.58Å; V976-Y984 HydrophobicContact CG2-CE1 4.48Å; V976-Y984 HydrophobicContact CG2-CE2 3.93Å; V976-Y984 HydrophobicContact CG2-CG 3.71Å; V980-Y984 PolarHBondContact O-N 2.89Å; K981-Y984 WeakPolarHBondContact O-CB 3.25Å; K981-Y984 PolarHBondContact O-N 3.4Å; I982-Y984 VanDerWaalsContact C-N 3.29Å; I982-Y984 PolarHBondContact O-N 3.45Å; Y984-H986 PolarHBondContact O-N 2.97Å; Y984-S987 WeakPolarHBondContact O-CA 3.3Å; Y984-S987 WeakPolarHBondContact O-CB 3.32Å; Y984-S987 PolarHBondContact O-N 2.66Å; Y984-V988 HydrophobicContact CD1-CG2 4.47Å; Y984-V988 HydrophobicContact CD2-CG2 4.23Å; Y984-V988 HydrophobicContact CE1-CG2 4.04Å; Y984-V988 HydrophobicContact CE2-CG2 3.79Å; Y984-V988 WeakPolarHBondContact O-CG2 3.35Å; Y984-V988 PolarHBondContact O-N 3.48Å |
| 985 | V | 89.8 | Confident | 88.7 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.4 | -49.8 | 178.8 | 166.4 | 0 | 0 | 0 | 0 | 111.7 | L921 L935 I938 K939 K981 I982 S987 V988 A989 | L921-V985 HydrophobicContact CD1-CG1 3.67Å; L921-V985 HydrophobicContact CD2-CG1 3.71Å; L921-V985 HydrophobicContact CG-CG1 4.31Å; L935-V985 HydrophobicContact CB-CG1 4.1Å; L935-V985 HydrophobicContact CB-CG2 4.36Å; L935-V985 HydrophobicContact CD1-CG1 4.39Å; L935-V985 HydrophobicContact CD2-CG2 4.37Å; I938-V985 HydrophobicContact CB-CG2 4.48Å; I938-V985 HydrophobicContact CG2-CG2 4.3Å; K939-V985 HydrophobicContact CB-CG2 4.44Å; K981-V985 WeakPolarHBondContact O-CG2 3.25Å; K981-V985 PolarHBondContact O-N 3.21Å; I982-V985 PolarHBondContact O-N 3.05Å; V985-S987 VanDerWaalsContact C-N 3.33Å; V985-S987 PolarHBondContact O-N 3.04Å; V985-V988 PolarHBondContact O-N 3.32Å; V985-A989 PolarHBondContact O-N 3.41Å; V985-A989 VanDerWaalsContact O-N 3.16Å |
| 986 | H | 87.9 | Confident | 88.8 | Confident | 51 Ų | 51 | 39.4 Ų | 39.4 | 24% | 0.236 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.3 | -33.2 | 177 | -74.2 | -79.2 | 0 | 0 | 0 | 112.9 | I982 Y984 H990 | I982-H986 PolarHBondContact O-CD2 3.28Å; I982-H986 PolarHBondContact O-N 3.07Å; I982-H986 VanDerWaalsContact O-N 3.14Å; Y984-H986 PolarHBondContact O-N 2.97Å; H986-H990 VanDerWaalsContact O-CB 3.24Å; H986-H990 WeakPolarHBondContact O-CB 3.32Å; H986-H990 PolarHBondContact O-N 3.45Å |
| 987 | S | 89.6 | Confident | 89 | Confident | 29 Ų | 29 | 39.4 Ų | 39.4 | 20% | 0.203 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.8 | -38.8 | 178.6 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | Y952 S983 Y984 V985 F991 | Y952-S987 PolarHBondContact OH-OG 3.46Å; S983-S987 VanDerWaalsContact O-CB 3.23Å; S983-S987 WeakPolarHBondContact O-CB 3.4Å; S983-S987 PolarHBondContact O-N 3.16Å; S983-S987 PolarHBondContact O-OG 2.88Å; Y984-S987 WeakPolarHBondContact O-CA 3.3Å; Y984-S987 WeakPolarHBondContact O-CB 3.32Å; Y984-S987 PolarHBondContact O-N 2.66Å; V985-S987 VanDerWaalsContact C-N 3.33Å; V985-S987 PolarHBondContact O-N 3.04Å; S987-F991 VanDerWaalsContact O-CB 3.27Å; S987-F991 WeakPolarHBondContact O-CB 3.42Å; S987-F991 PolarHBondContact O-N 3.5Å |
| 988 | V | 92.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.2 | -48.9 | 174.1 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | L931 L935 Y954 L967 Y984 V985 H990 F991 R992 | L931-V988 HydrophobicContact CD1-CG1 4.33Å; L931-V988 HydrophobicContact CD2-CG1 4.45Å; L935-V988 HydrophobicContact CD1-CB 4.03Å; L935-V988 HydrophobicContact CD1-CG1 3.87Å; L935-V988 HydrophobicContact CD2-CB 4.25Å; L935-V988 HydrophobicContact CD2-CG1 4.22Å; L935-V988 HydrophobicContact CD2-CG2 4.39Å; Y954-V988 HydrophobicContact CD2-CG1 3.79Å; Y954-V988 HydrophobicContact CE2-CG1 4Å; L967-V988 HydrophobicContact CD1-CG2 3.59Å; Y984-V988 HydrophobicContact CD1-CG2 4.47Å; Y984-V988 HydrophobicContact CD2-CG2 4.23Å; Y984-V988 HydrophobicContact CE1-CG2 4.04Å; Y984-V988 HydrophobicContact CE2-CG2 3.79Å; Y984-V988 WeakPolarHBondContact O-CG2 3.35Å; Y984-V988 PolarHBondContact O-N 3.48Å; V985-V988 PolarHBondContact O-N 3.32Å; V988-H990 PolarHBondContact O-N 3.23Å; V988-F991 WeakPolarHBondContact O-CB 3.3Å; V988-F991 PolarHBondContact O-N 2.86Å; V988-F991 VanDerWaalsContact O-N 3.14Å; V988-R992 PolarHBondContact O-N 2.99Å |
| 989 | A | 91.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.8 | -48.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F920 L921 L924 V985 F991 R992 M993 | F920-A989 HydrophobicContact CB-CB 4.02Å; L921-A989 HydrophobicContact CB-CB 4.38Å; L921-A989 HydrophobicContact CD1-CB 4.47Å; L924-A989 HydrophobicContact CD2-CB 4.18Å; V985-A989 PolarHBondContact O-N 3.41Å; V985-A989 VanDerWaalsContact O-N 3.16Å; A989-F991 VanDerWaalsContact C-N 3.3Å; A989-F991 PolarHBondContact O-N 3.42Å; A989-R992 PolarHBondContact O-N 3.44Å; A989-M993 WeakPolarHBondContact O-CB 3.36Å; A989-M993 WeakPolarHBondContact O-CG 3.5Å; A989-M993 PolarHBondContact O-N 3.28Å |
| 990 | H | 91 | Very high | 91 | Very high | 61 Ų | 61 | 36.7 Ų | 36.7 | 28% | 0.282 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.6 | -34.6 | 175.6 | 175.1 | -99.5 | 0 | 0 | 0 | 112.6 | F920 H986 V988 Y994 K995 | F920-H990 HydrophobicContact CD2-CB 4.16Å; F920-H990 AromaticContact CD2-CD2 3.88Å; F920-H990 AromaticContact CE2-CD2 3.49Å; F920-H990 VanDerWaalsContact CE2-CD2 3.49Å; F920-H990 WeakPolarHBondContact CE2-CD2 3.26Å; H986-H990 VanDerWaalsContact O-CB 3.24Å; H986-H990 WeakPolarHBondContact O-CB 3.32Å; H986-H990 PolarHBondContact O-N 3.45Å; V988-H990 PolarHBondContact O-N 3.23Å; H990-Y994 AromaticContact CD2-CD1 3.95Å; H990-Y994 AromaticContact CE1-CD1 3.76Å; H990-Y994 AromaticContact NE2-CD1 3.26Å; H990-Y994 VanDerWaalsContact NE2-CD1 3.26Å; H990-Y994 WeakPolarHBondContact NE2-CD1 3.35Å; H990-Y994 AromaticContact NE2-CE1 3.79Å; H990-Y994 WeakPolarHBondContact O-CB 3.44Å; H990-Y994 PolarHBondContact O-N 3.42Å; H990-Y994 VanDerWaalsContact O-N 3.1Å; H990-K995 PolarHBondContact O-N 3.25Å |
| 991 | F | 93.2 | Very high | 91.6 | Very high | 18 Ų | 18 | 34.9 Ų | 34.9 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -65 | -52 | 175.5 | 175.3 | -100.2 | 0 | 0 | 0 | 111.4 | Y954 H965 L967 S987 V988 A989 K995 Q996 | Y954-F991 AromaticContact CD1-CD1 3.92Å; Y954-F991 HydrophobicContact CD1-CD1 3.92Å; Y954-F991 AromaticContact CD1-CE1 3.53Å; Y954-F991 HydrophobicContact CD1-CE1 3.53Å; Y954-F991 HydrophobicContact CE1-CE1 4.2Å; Y954-F991 HydrophobicContact CG-CD1 4.01Å; Y954-F991 HydrophobicContact CG-CE1 4.05Å; H965-F991 HydrophobicContact CB-CE1 4.18Å; H965-F991 HydrophobicContact CB-CE2 3.89Å; H965-F991 HydrophobicContact CB-CZ 3.53Å; H965-F991 AromaticContact CD2-CZ 3.73Å; H965-F991 AromaticContact CG-CZ 3.4Å; H965-F991 AromaticContact ND1-CZ 3.8Å; L967-F991 HydrophobicContact CD2-CB 3.58Å; L967-F991 HydrophobicContact CD2-CD1 4.32Å; L967-F991 HydrophobicContact CD2-CD2 4.27Å; L967-F991 HydrophobicContact CD2-CG 3.81Å; S987-F991 VanDerWaalsContact O-CB 3.27Å; S987-F991 WeakPolarHBondContact O-CB 3.42Å; S987-F991 PolarHBondContact O-N 3.5Å; V988-F991 WeakPolarHBondContact O-CB 3.3Å; V988-F991 PolarHBondContact O-N 2.86Å; V988-F991 VanDerWaalsContact O-N 3.14Å; A989-F991 VanDerWaalsContact C-N 3.3Å; A989-F991 PolarHBondContact O-N 3.42Å; F991-K995 HydrophobicContact CB-CD 4.41Å; F991-K995 HydrophobicContact CD2-CB 3.85Å; F991-K995 HydrophobicContact CD2-CD 3.88Å; F991-K995 HydrophobicContact CD2-CG 4.48Å; F991-K995 HydrophobicContact CE2-CB 4.47Å; F991-K995 PolarHBondContact O-N 2.94Å; F991-Q996 HydrophobicContact CD1-CG 4.06Å; F991-Q996 HydrophobicContact CD2-CG 4.46Å; F991-Q996 HydrophobicContact CE1-CG 3.54Å; F991-Q996 VanDerWaalsContact CE1-NE2 3.29Å; F991-Q996 HydrophobicContact CE2-CG 3.99Å; F991-Q996 HydrophobicContact CG-CG 4.48Å; F991-Q996 HydrophobicContact CZ-CG 3.49Å; F991-Q996 VanDerWaalsContact CZ-CG 3.49Å; F991-Q996 PolarHBondContact O-N 3Å |
| 992 | R | 92.5 | Very high | 92 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 11% | 0.106 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -65.5 | -39.8 | -176.9 | -76.9 | -77.7 | -88 | 168.6 | -6.8 | 113.7 | D928 L931 Y954 E956 V988 A989 | D928-R992 IonicContact OD2-NH2 3.91Å; D928-R992 PolarHBondContact OD2-NH2 3.33Å; L931-R992 HydrophobicContact CD2-CG 3.88Å; Y954-R992 HydrophobicContact CE2-CG 4.12Å; Y954-R992 WeakPolarHBondContact OH-CD 3.39Å; Y954-R992 PolarHBondContact OH-NE 2.78Å; Y954-R992 VanDerWaalsContact OH-NE 3.07Å; E956-R992 IonicContact OE1-NH1 2.65Å; V988-R992 PolarHBondContact O-N 2.99Å; A989-R992 PolarHBondContact O-N 3.44Å |
| 993 | M | 91.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -96.2 | -17.2 | -172.3 | -63.2 | -178.8 | 68.6 | 0 | 0 | 114 | F904 Q908 F920 E923 L924 L927 A989 I997 | F904-M993 HydrophobicContact CB-CE 3.36Å; F904-M993 HydrophobicContact CD1-CE 3.6Å; F904-M993 HydrophobicContact CD2-CE 4.16Å; F904-M993 HydrophobicContact CE1-CE 4.38Å; F904-M993 HydrophobicContact CG-CE 3.46Å; F904-M993 VanDerWaalsContact CG-CE 3.46Å; Q908-M993 PolarHBondContact NE2-O 2.94Å; F920-M993 HydrophobicContact CB-CB 4.45Å; F920-M993 HydrophobicContact CB-SD 4.04Å; F920-M993 HydrophobicContact CD1-CB 3.51Å; F920-M993 HydrophobicContact CD1-CE 4.47Å; F920-M993 HydrophobicContact CD1-SD 4.38Å; F920-M993 HydrophobicContact CE1-CB 4.15Å; F920-M993 HydrophobicContact CG-CB 4.35Å; E923-M993 HydrophobicContact CB-CE 3.63Å; L924-M993 HydrophobicContact CB-SD 3.98Å; L924-M993 HydrophobicContact CD1-CG 4.12Å; L924-M993 HydrophobicContact CD1-SD 3.83Å; L927-M993 HydrophobicContact CD2-CG 3.64Å; A989-M993 WeakPolarHBondContact O-CB 3.36Å; A989-M993 WeakPolarHBondContact O-CG 3.5Å; A989-M993 PolarHBondContact O-N 3.28Å; M993-I997 VanDerWaalsContact O-CD1 3.3Å; M993-I997 WeakPolarHBondContact O-CD1 3.31Å |
| 994 | Y | 92.7 | Very high | 93.2 | Very high | 39 Ų | 39 | 30.9 Ų | 30.9 | 15% | 0.153 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -130.5 | -59.8 | -177.3 | 177.4 | -99.4 | 0 | 0 | 0 | 113.2 | Q908 E913 F920 H990 Q996 I997 R998 | Q908-Y994 HydrophobicContact CG-CD2 4.25Å; E913-Y994 HydrophobicContact CG-CD2 4.12Å; E913-Y994 HydrophobicContact CG-CE2 3.76Å; F920-Y994 HydrophobicContact CE1-CG 4.43Å; F920-Y994 HydrophobicContact CZ-CD2 4.19Å; F920-Y994 HydrophobicContact CZ-CG 4.01Å; H990-Y994 AromaticContact CD2-CD1 3.95Å; H990-Y994 AromaticContact CE1-CD1 3.76Å; H990-Y994 AromaticContact NE2-CD1 3.26Å; H990-Y994 VanDerWaalsContact NE2-CD1 3.26Å; H990-Y994 WeakPolarHBondContact NE2-CD1 3.35Å; H990-Y994 AromaticContact NE2-CE1 3.79Å; H990-Y994 WeakPolarHBondContact O-CB 3.44Å; H990-Y994 PolarHBondContact O-N 3.42Å; H990-Y994 VanDerWaalsContact O-N 3.1Å; Y994-Q996 VanDerWaalsContact C-N 3.34Å; Y994-Q996 PolarHBondContact O-N 3.48Å; Y994-I997 PolarHBondContact O-N 2.86Å; Y994-R998 HydrophobicContact CE1-CG 4.46Å; Y994-R998 WeakPolarHBondContact O-CA 3.16Å; Y994-R998 WeakPolarHBondContact O-CB 3.38Å; Y994-R998 PolarHBondContact O-N 2.88Å |
| 995 | K | 92.3 | Very high | 93.5 | Very high | 91 Ų | 91 | 32 Ų | 32 | 40% | 0.396 | 16% | 0.163 | S | C | . | . | I | π-helix | trans | -58.9 | -43.2 | -172.8 | -71.3 | -179.2 | 169 | 177.8 | 0 | 112.5 | L967 H990 F991 I997 R998 | L967-K995 PolarHBondContact O-NZ 3.04Å; H990-K995 PolarHBondContact O-N 3.25Å; F991-K995 HydrophobicContact CB-CD 4.41Å; F991-K995 HydrophobicContact CD2-CB 3.85Å; F991-K995 HydrophobicContact CD2-CD 3.88Å; F991-K995 HydrophobicContact CD2-CG 4.48Å; F991-K995 HydrophobicContact CE2-CB 4.47Å; F991-K995 PolarHBondContact O-N 2.94Å; K995-I997 VanDerWaalsContact C-N 3.33Å; K995-I997 PolarHBondContact O-N 3.2Å; K995-R998 PolarHBondContact O-N 3.03Å |
| 996 | Q | 92.3 | Very high | 93.7 | Very high | 26 Ų | 26 | 38.8 Ų | 38.8 | 12% | 0.121 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -33.7 | -177.9 | -77.6 | -173.3 | -39.9 | 0 | 0 | 113.6 | P868 E956 F991 Y994 | P868-Q996 HydrophobicContact CB-CB 4.4Å; E956-Q996 PolarHBondContact OE1-NE2 3.49Å; E956-Q996 PolarHBondContact OE2-NE2 3.24Å; F991-Q996 HydrophobicContact CD1-CG 4.06Å; F991-Q996 HydrophobicContact CD2-CG 4.46Å; F991-Q996 HydrophobicContact CE1-CG 3.54Å; F991-Q996 VanDerWaalsContact CE1-NE2 3.29Å; F991-Q996 HydrophobicContact CE2-CG 3.99Å; F991-Q996 HydrophobicContact CG-CG 4.48Å; F991-Q996 HydrophobicContact CZ-CG 3.49Å; F991-Q996 VanDerWaalsContact CZ-CG 3.49Å; F991-Q996 PolarHBondContact O-N 3Å; Y994-Q996 VanDerWaalsContact C-N 3.34Å; Y994-Q996 PolarHBondContact O-N 3.48Å |
| 997 | I | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 5.3 | -175.9 | 64 | 169.4 | 0 | 0 | 0 | 113.1 | P866 P868 F904 M993 Y994 K995 A999 Q1000 T1001 | P866-I997 HydrophobicContact CB-CB 4.31Å; P866-I997 HydrophobicContact CB-CG2 4.49Å; P866-I997 VanDerWaalsContact O-CG2 3.27Å; P866-I997 WeakPolarHBondContact O-CG2 3.32Å; P868-I997 HydrophobicContact CG-CG2 4Å; F904-I997 HydrophobicContact CE2-CD1 3.97Å; M993-I997 VanDerWaalsContact O-CD1 3.3Å; M993-I997 WeakPolarHBondContact O-CD1 3.31Å; Y994-I997 PolarHBondContact O-N 2.86Å; K995-I997 VanDerWaalsContact C-N 3.33Å; K995-I997 PolarHBondContact O-N 3.2Å; I997-A999 VanDerWaalsContact C-N 3.33Å; I997-A999 PolarHBondContact O-N 2.87Å; I997-Q1000 VanDerWaalsContact CA-OE1 3.3Å; I997-Q1000 PolarHBondContact O-N 3.02Å; I997-Q1000 PolarHBondContact O-OE1 3.32Å; I997-Q1000 VanDerWaalsContact O-OE1 3.12Å; I997-T1001 WeakPolarHBondContact O-CB 3.5Å; I997-T1001 PolarHBondContact O-N 3.34Å; I997-T1001 PolarHBondContact O-OG1 3.42Å; I997-T1001 VanDerWaalsContact O-OG1 3.08Å |
| 998 | R | 95.2 | Very high | 94.4 | Very high | 154 Ų | 154 | 35 Ų | 35 | 58% | 0.581 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -57.7 | -42.3 | -169.4 | -177.3 | -179.9 | 173.7 | -166.3 | -2.7 | 113 | Y994 K995 A1002 | Y994-R998 HydrophobicContact CE1-CG 4.46Å; Y994-R998 WeakPolarHBondContact O-CA 3.16Å; Y994-R998 WeakPolarHBondContact O-CB 3.38Å; Y994-R998 PolarHBondContact O-N 2.88Å; K995-R998 PolarHBondContact O-N 3.03Å; R998-A1002 WeakPolarHBondContact O-CB 3.38Å; R998-A1002 PolarHBondContact O-N 3.03Å |
| 999 | A | 96.3 | Very high | 94.5 | Very high | 49 Ų | 49 | 37.4 Ų | 37.4 | 41% | 0.405 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -68.9 | -43.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L877 I997 A1002 S1003 | L877-A999 HydrophobicContact CD2-CB 3.88Å; I997-A999 VanDerWaalsContact C-N 3.33Å; I997-A999 PolarHBondContact O-N 2.87Å; A999-A1002 PolarHBondContact O-N 2.68Å; A999-S1003 PolarHBondContact O-N 3.14Å; A999-S1003 PolarHBondContact O-OG 3.48Å |
| 1000 | Q | 96.7 | Very high | 94.7 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -51.4 | 177.1 | -61.2 | 83.8 | -17.1 | 0 | 0 | 110.6 | P866 S867 S870 F880 I997 A1002 S1003 F1004 | P866-Q1000 HydrophobicContact CB-CB 3.73Å; P866-Q1000 HydrophobicContact CB-CG 4.41Å; S867-Q1000 PolarHBondContact O-NE2 2.79Å; S870-Q1000 VanDerWaalsContact OG-CG 3.25Å; S870-Q1000 WeakPolarHBondContact OG-CG 3.49Å; S870-Q1000 PolarHBondContact OG-NE2 3.23Å; S870-Q1000 VanDerWaalsContact OG-NE2 3.12Å; F880-Q1000 HydrophobicContact CD1-CB 4.34Å; F880-Q1000 HydrophobicContact CD2-CB 3.71Å; F880-Q1000 HydrophobicContact CD2-CG 3.8Å; F880-Q1000 HydrophobicContact CE1-CB 4.13Å; F880-Q1000 HydrophobicContact CE2-CB 3.5Å; F880-Q1000 HydrophobicContact CE2-CG 3.26Å; F880-Q1000 HydrophobicContact CG-CB 4.14Å; F880-Q1000 HydrophobicContact CZ-CB 3.69Å; F880-Q1000 HydrophobicContact CZ-CG 3.71Å; I997-Q1000 VanDerWaalsContact CA-OE1 3.3Å; I997-Q1000 PolarHBondContact O-N 3.02Å; I997-Q1000 PolarHBondContact O-OE1 3.32Å; I997-Q1000 VanDerWaalsContact O-OE1 3.12Å; Q1000-A1002 PolarHBondContact O-N 3.24Å; Q1000-S1003 PolarHBondContact O-N 2.83Å; Q1000-F1004 WeakPolarHBondContact O-CB 3.4Å; Q1000-F1004 PolarHBondContact O-N 2.98Å |
| 1001 | T | 96.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 177.7 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | F905 Q908 I997 S1003 F1004 I1005 | F905-T1001 HydrophobicContact CD2-CG2 4.33Å; F905-T1001 HydrophobicContact CE2-CG2 4.07Å; Q908-T1001 HydrophobicContact CB-CG2 3.87Å; I997-T1001 WeakPolarHBondContact O-CB 3.5Å; I997-T1001 PolarHBondContact O-N 3.34Å; I997-T1001 PolarHBondContact O-OG1 3.42Å; I997-T1001 VanDerWaalsContact O-OG1 3.08Å; T1001-S1003 PolarHBondContact O-N 3.3Å; T1001-F1004 PolarHBondContact O-N 3.07Å; T1001-I1005 HydrophobicContact CG2-CD1 3.61Å; T1001-I1005 HydrophobicContact CG2-CG1 4.22Å; T1001-I1005 WeakPolarHBondContact O-CB 3.35Å; T1001-I1005 WeakPolarHBondContact O-CG1 3.37Å; T1001-I1005 PolarHBondContact O-N 3.04Å |
| 1002 | A | 96.6 | Very high | 94.9 | Very high | 56 Ų | 56 | 34.8 Ų | 34.8 | 46% | 0.463 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R998 A999 Q1000 R1006 | R998-A1002 WeakPolarHBondContact O-CB 3.38Å; R998-A1002 PolarHBondContact O-N 3.03Å; A999-A1002 PolarHBondContact O-N 2.68Å; Q1000-A1002 PolarHBondContact O-N 3.24Å; A1002-R1006 WeakPolarHBondContact O-CB 3.44Å; A1002-R1006 PolarHBondContact O-N 2.72Å |
| 1003 | S | 96.8 | Very high | 94.9 | Very high | 14 Ų | 14 | 35.1 Ų | 35.1 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 174.7 | -78.4 | 0 | 0 | 0 | 0 | 111.9 | L877 E881 A999 Q1000 T1001 R1006 G1007 | L877-S1003 VanDerWaalsContact O-CB 3.23Å; L877-S1003 WeakPolarHBondContact O-CB 3.43Å; L877-S1003 PolarHBondContact O-OG 3.43Å; E881-S1003 VanDerWaalsContact CA-O 3.22Å; E881-S1003 WeakPolarHBondContact CA-O 3.35Å; E881-S1003 WeakPolarHBondContact CB-O 3.43Å; A999-S1003 PolarHBondContact O-N 3.14Å; A999-S1003 PolarHBondContact O-OG 3.48Å; Q1000-S1003 PolarHBondContact O-N 2.83Å; T1001-S1003 PolarHBondContact O-N 3.3Å; S1003-R1006 WeakPolarHBondContact O-CB 3Å; S1003-R1006 PolarHBondContact O-N 2.96Å; S1003-G1007 PolarHBondContact O-N 2.91Å; S1003-G1007 VanDerWaalsContact O-N 3.11Å |
| 1004 | F | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.6 | -48.9 | 176.4 | -171 | -85.5 | 0 | 0 | 0 | 112.1 | F849 F856 F880 L883 G884 L887 F905 L909 Q1000 T1001 R1006 G1007 F1008 | F849-F1004 HydrophobicContact CE1-CE2 4.37Å; F849-F1004 HydrophobicContact CZ-CE2 4.34Å; F856-F1004 HydrophobicContact CZ-CD2 4.26Å; F856-F1004 HydrophobicContact CZ-CE2 4.1Å; F880-F1004 HydrophobicContact CB-CB 4.27Å; F880-F1004 HydrophobicContact CD1-CB 4.46Å; F880-F1004 HydrophobicContact CD1-CD2 4.26Å; F880-F1004 WeakPolarHBondContact O-CA 3.25Å; F880-F1004 WeakPolarHBondContact O-CD2 3.17Å; L883-F1004 HydrophobicContact CB-CD2 4.23Å; L883-F1004 HydrophobicContact CB-CE2 3.97Å; G884-F1004 WeakPolarHBondContact CA-O 3.35Å; L887-F1004 HydrophobicContact CB-CZ 4.33Å; L887-F1004 HydrophobicContact CD2-CE1 4.18Å; L887-F1004 HydrophobicContact CD2-CZ 3.66Å; F905-F1004 HydrophobicContact CE1-CE1 4.24Å; F905-F1004 HydrophobicContact CE1-CZ 4.49Å; F905-F1004 AromaticContact CZ-CD1 3.69Å; F905-F1004 HydrophobicContact CZ-CD1 3.69Å; F905-F1004 HydrophobicContact CZ-CD2 4.47Å; F905-F1004 AromaticContact CZ-CE1 3.86Å; F905-F1004 HydrophobicContact CZ-CE1 3.86Å; F905-F1004 HydrophobicContact CZ-CG 4.01Å; F905-F1004 HydrophobicContact CZ-CZ 4.31Å; L909-F1004 HydrophobicContact CD1-CD1 4.07Å; L909-F1004 HydrophobicContact CD1-CE1 4.1Å; L909-F1004 HydrophobicContact CD2-CE1 4.45Å; Q1000-F1004 WeakPolarHBondContact O-CB 3.4Å; Q1000-F1004 PolarHBondContact O-N 2.98Å; T1001-F1004 PolarHBondContact O-N 3.07Å; F1004-R1006 VanDerWaalsContact C-N 3.33Å; F1004-R1006 PolarHBondContact O-N 2.87Å; F1004-G1007 PolarHBondContact O-N 2.89Å; F1004-G1007 VanDerWaalsContact O-N 3.16Å; F1004-F1008 HydrophobicContact CE1-CB 4.48Å; F1004-F1008 HydrophobicContact CE1-CD2 4.34Å; F1004-F1008 WeakPolarHBondContact O-CB 3.32Å; F1004-F1008 PolarHBondContact O-N 3.02Å |
| 1005 | I | 96.5 | Very high | 94.8 | Very high | 39 Ų | 39 | 42.4 Ų | 42.4 | 20% | 0.2 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.5 | -43.4 | 177 | -72.6 | 172.7 | 0 | 0 | 0 | 111.2 | Q908 L909 T1001 G1007 F1008 Y1009 | Q908-I1005 VanDerWaalsContact O-CD1 3.24Å; Q908-I1005 WeakPolarHBondContact O-CD1 3.45Å; L909-I1005 HydrophobicContact CD1-CG1 3.82Å; T1001-I1005 HydrophobicContact CG2-CD1 3.61Å; T1001-I1005 HydrophobicContact CG2-CG1 4.22Å; T1001-I1005 WeakPolarHBondContact O-CB 3.35Å; T1001-I1005 WeakPolarHBondContact O-CG1 3.37Å; T1001-I1005 PolarHBondContact O-N 3.04Å; I1005-G1007 VanDerWaalsContact C-N 3.29Å; I1005-G1007 PolarHBondContact O-N 3.12Å; I1005-F1008 PolarHBondContact O-N 3.39Å; I1005-Y1009 HydrophobicContact CG2-CD2 3.54Å; I1005-Y1009 HydrophobicContact CG2-CE2 3.83Å; I1005-Y1009 PolarHBondContact O-N 3.47Å |
| 1006 | R | 95.6 | Very high | 94.9 | Very high | 145 Ų | 145 | 39.9 Ų | 39.9 | 55% | 0.547 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.9 | -43.7 | 176.8 | 180 | 175.8 | 66.8 | 170.6 | -0.8 | 111.4 | E881 A1002 S1003 F1004 S1010 | E881-R1006 VanDerWaalsContact CD-NE 3.33Å; E881-R1006 IonicContact OE1-CZ 2.81Å; E881-R1006 IonicContact OE1-NE 3.23Å; E881-R1006 PolarHBondContact OE1-NE 3.4Å; E881-R1006 IonicContact OE1-NH2 3.78Å; E881-R1006 IonicContact OE2-CZ 2.85Å; E881-R1006 IonicContact OE2-NE 2.67Å; E881-R1006 PolarHBondContact OE2-NE 2.84Å; E881-R1006 IonicContact OE2-NH2 3.06Å; E881-R1006 PolarHBondContact OE2-NH2 2.92Å; A1002-R1006 WeakPolarHBondContact O-CB 3.44Å; A1002-R1006 PolarHBondContact O-N 2.72Å; S1003-R1006 WeakPolarHBondContact O-CB 3Å; S1003-R1006 PolarHBondContact O-N 2.96Å; F1004-R1006 VanDerWaalsContact C-N 3.33Å; F1004-R1006 PolarHBondContact O-N 2.87Å; R1006-S1010 WeakPolarHBondContact O-CB 3.08Å; R1006-S1010 PolarHBondContact O-N 3.29Å |
| 1007 | G | 94.5 | Very high | 95 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.5 | -47.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E881 K885 S1003 F1004 I1005 S1010 | E881-G1007 VanDerWaalsContact O-CA 3.29Å; E881-G1007 WeakPolarHBondContact O-CA 3.48Å; K885-G1007 WeakPolarHBondContact CG-O 3.49Å; S1003-G1007 PolarHBondContact O-N 2.91Å; S1003-G1007 VanDerWaalsContact O-N 3.11Å; F1004-G1007 PolarHBondContact O-N 2.89Å; F1004-G1007 VanDerWaalsContact O-N 3.16Å; I1005-G1007 VanDerWaalsContact C-N 3.29Å; I1005-G1007 PolarHBondContact O-N 3.12Å; G1007-S1010 WeakPolarHBondContact O-CB 3.16Å; G1007-S1010 PolarHBondContact O-N 3.21Å; G1007-S1010 VanDerWaalsContact O-N 3.16Å; G1007-S1010 PolarHBondContact O-OG 2.88Å |
| 1008 | F | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.7 | -50.2 | -176.1 | -171.1 | -101.3 | 0 | 0 | 0 | 112.6 | G884 L887 A888 L909 F1004 I1005 S1010 I1011 L1012 L1017 | G884-F1008 VanDerWaalsContact O-CA 3.27Å; G884-F1008 WeakPolarHBondContact O-CA 3.49Å; L887-F1008 HydrophobicContact CB-CD2 4.34Å; L887-F1008 HydrophobicContact CB-CE2 4.41Å; L887-F1008 HydrophobicContact CD2-CD2 4.31Å; L887-F1008 HydrophobicContact CD2-CE2 3.98Å; L887-F1008 HydrophobicContact CG-CD2 4.44Å; L887-F1008 HydrophobicContact CG-CE2 4.06Å; A888-F1008 HydrophobicContact CB-CB 4.45Å; A888-F1008 HydrophobicContact CB-CD2 3.61Å; A888-F1008 HydrophobicContact CB-CE2 4.02Å; A888-F1008 HydrophobicContact CB-CG 4.05Å; A888-F1008 WeakPolarHBondContact CB-O 3.5Å; L909-F1008 HydrophobicContact CD1-CB 4.16Å; L909-F1008 HydrophobicContact CD1-CD1 3.56Å; L909-F1008 HydrophobicContact CD1-CE1 3.99Å; L909-F1008 HydrophobicContact CD1-CG 3.86Å; L909-F1008 HydrophobicContact CD2-CD1 4.37Å; L909-F1008 HydrophobicContact CD2-CE1 4.01Å; L909-F1008 HydrophobicContact CD2-CE2 4.45Å; L909-F1008 HydrophobicContact CD2-CZ 4.07Å; L909-F1008 HydrophobicContact CG-CD1 4.15Å; L909-F1008 HydrophobicContact CG-CE1 4.06Å; F1004-F1008 HydrophobicContact CE1-CB 4.48Å; F1004-F1008 HydrophobicContact CE1-CD2 4.34Å; F1004-F1008 WeakPolarHBondContact O-CB 3.32Å; F1004-F1008 PolarHBondContact O-N 3.02Å; I1005-F1008 PolarHBondContact O-N 3.39Å; F1008-S1010 PolarHBondContact O-N 3.1Å; F1008-I1011 PolarHBondContact O-N 3.05Å; F1008-L1012 HydrophobicContact CE1-CD1 3.97Å; F1008-L1012 HydrophobicContact CE2-CD1 4.06Å; F1008-L1012 HydrophobicContact CZ-CD1 3.66Å; F1008-L1012 PolarHBondContact O-N 2.91Å; F1008-L1017 HydrophobicContact CD1-CD1 4.42Å; F1008-L1017 HydrophobicContact CE1-CD1 3.39Å; F1008-L1017 HydrophobicContact CZ-CD1 3.94Å |
| 1009 | Y | 96.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 33.9 Ų | 33.9 | 20% | 0.2 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -78.9 | -0.9 | 176.6 | -69.6 | -55.3 | 0 | 0 | 0 | 114.5 | L909 I1005 L1012 P1014 L1017 | L909-Y1009 WeakPolarHBondContact O-CE2 2.79Å; L909-Y1009 PolarHBondContact O-OH 2.92Å; I1005-Y1009 HydrophobicContact CG2-CD2 3.54Å; I1005-Y1009 HydrophobicContact CG2-CE2 3.83Å; I1005-Y1009 PolarHBondContact O-N 3.47Å; Y1009-L1012 CarbonylContact C-O 3.53Å; Y1009-L1012 WeakPolarHBondContact CA-O 3.46Å; Y1009-L1012 WeakPolarHBondContact CD1-O 3.39Å; Y1009-L1012 VanDerWaalsContact O-O 3.11Å; Y1009-P1014 HydrophobicContact CD1-CB 4.19Å; Y1009-P1014 HydrophobicContact CD1-CG 3.64Å; Y1009-P1014 HydrophobicContact CD2-CG 4.45Å; Y1009-P1014 VanDerWaalsContact CE1-CA 3.49Å; Y1009-P1014 HydrophobicContact CE1-CB 3.92Å; Y1009-P1014 HydrophobicContact CE1-CG 3.9Å; Y1009-P1014 HydrophobicContact CG-CG 3.94Å; Y1009-L1017 HydrophobicContact CE1-CD1 3.97Å |
| 1010 | S | 94.3 | Very high | 94.6 | Very high | 24 Ų | 24 | 31.6 Ų | 31.6 | 17% | 0.168 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.8 | -24.5 | 167.7 | 83.2 | 0 | 0 | 0 | 0 | 111.6 | S809 R813 R1006 G1007 F1008 | S809-S1010 WeakPolarHBondContact CB-O 3.46Å; S809-S1010 VanDerWaalsContact OG-CB 3.28Å; S809-S1010 WeakPolarHBondContact OG-CB 3.48Å; S809-S1010 PolarHBondContact OG-OG 2.79Å; R813-S1010 PolarHBondContact NH2-O 3.26Å; R1006-S1010 WeakPolarHBondContact O-CB 3.08Å; R1006-S1010 PolarHBondContact O-N 3.29Å; G1007-S1010 WeakPolarHBondContact O-CB 3.16Å; G1007-S1010 PolarHBondContact O-N 3.21Å; G1007-S1010 VanDerWaalsContact O-N 3.16Å; G1007-S1010 PolarHBondContact O-OG 2.88Å; F1008-S1010 PolarHBondContact O-N 3.1Å |
| 1011 | I | 93.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -103.8 | -47.8 | 178.3 | -59 | -171.9 | 0 | 0 | 0 | 111.1 | L812 R813 K885 A888 K889 Y892 F1008 | L812-I1011 HydrophobicContact CB-CD1 3.95Å; L812-I1011 HydrophobicContact CD1-CD1 4.31Å; R813-I1011 HydrophobicContact CG-CG2 3.95Å; R813-I1011 VanDerWaalsContact CZ-O 3.28Å; R813-I1011 PolarHBondContact NE-O 3.21Å; R813-I1011 PolarHBondContact NH2-O 3.38Å; K885-I1011 HydrophobicContact CB-CD1 4.17Å; K885-I1011 WeakPolarHBondContact O-CD1 3.37Å; A888-I1011 HydrophobicContact CB-CB 3.82Å; A888-I1011 HydrophobicContact CB-CD1 4.43Å; A888-I1011 HydrophobicContact CB-CG1 4.45Å; A888-I1011 HydrophobicContact CB-CG2 4.33Å; K889-I1011 HydrophobicContact CB-CD1 3.89Å; Y892-I1011 HydrophobicContact CD2-CG2 4.37Å; Y892-I1011 HydrophobicContact CG-CG2 4.2Å; F1008-I1011 PolarHBondContact O-N 3.05Å |
| 1012 | L | 94.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -94.3 | 146 | -178.2 | -66 | 169.8 | 0 | 0 | 0 | 112.1 | F761 A888 V891 Y892 F1008 Y1009 W1016 L1017 | F761-L1012 HydrophobicContact CE2-CD2 4.35Å; F761-L1012 HydrophobicContact CZ-CD2 4.05Å; A888-L1012 HydrophobicContact CB-CD1 3.88Å; A888-L1012 HydrophobicContact CB-CG 4Å; V891-L1012 HydrophobicContact CB-CD1 3.99Å; V891-L1012 HydrophobicContact CG1-CD1 3.81Å; V891-L1012 HydrophobicContact CG1-CD2 4.45Å; Y892-L1012 HydrophobicContact CD2-CD2 4.12Å; F1008-L1012 HydrophobicContact CE1-CD1 3.97Å; F1008-L1012 HydrophobicContact CE2-CD1 4.06Å; F1008-L1012 HydrophobicContact CZ-CD1 3.66Å; F1008-L1012 PolarHBondContact O-N 2.91Å; Y1009-L1012 CarbonylContact C-O 3.53Å; Y1009-L1012 WeakPolarHBondContact CA-O 3.46Å; Y1009-L1012 WeakPolarHBondContact CD1-O 3.39Å; Y1009-L1012 VanDerWaalsContact O-O 3.11Å; L1012-W1016 HydrophobicContact CD2-CE3 4.37Å; L1012-W1016 HydrophobicContact CD2-CZ3 4.42Å; L1012-L1017 HydrophobicContact CB-CD1 4.43Å; L1012-L1017 HydrophobicContact CD1-CD1 4.07Å |
| 1013 | S | 92.9 | Very high | 93.8 | Very high | 34 Ų | 34 | 30.6 Ų | 30.6 | 24% | 0.238 | 17% | 0.166 | C | C | . | . | trans | -78.6 | 133.6 | 170 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | D1015 W1016 | S1013-D1015 PolarHBondContact O-N 2.95Å; S1013-D1015 PolarHBondContact OG-N 2.9Å; S1013-W1016 VanDerWaalsContact CB-CD2 3.49Å; S1013-W1016 PolarHBondContact O-N 3.21Å | ||
| 1014 | P | 92.6 | Very high | 93.5 | Very high | 65 Ų | 65 | 31.1 Ų | 31.1 | 42% | 0.422 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -54.3 | -36.2 | 171.5 | -24.3 | 32.6 | 0 | 0 | 0 | 113.7 | Y1009 W1016 L1017 A1018 | Y1009-P1014 HydrophobicContact CD1-CB 4.19Å; Y1009-P1014 HydrophobicContact CD1-CG 3.64Å; Y1009-P1014 HydrophobicContact CD2-CG 4.45Å; Y1009-P1014 VanDerWaalsContact CE1-CA 3.49Å; Y1009-P1014 HydrophobicContact CE1-CB 3.92Å; Y1009-P1014 HydrophobicContact CE1-CG 3.9Å; Y1009-P1014 HydrophobicContact CG-CG 3.94Å; P1014-W1016 VanDerWaalsContact C-N 3.27Å; P1014-W1016 PolarHBondContact O-N 3.12Å; P1014-L1017 PolarHBondContact O-N 2.99Å; P1014-L1017 VanDerWaalsContact O-N 3.16Å; P1014-A1018 PolarHBondContact O-N 3.1Å |
| 1015 | D | 90.5 | Very high | 93.4 | Very high | 127 Ų | 127 | 31.1 Ų | 31.1 | 68% | 0.679 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -65.1 | -31.4 | -177.3 | -67 | -35.2 | 0 | 0 | 0 | 112.4 | S1013 L1017 | S1013-D1015 PolarHBondContact O-N 2.95Å; S1013-D1015 PolarHBondContact OG-N 2.9Å; D1015-L1017 VanDerWaalsContact C-N 3.34Å |
| 1016 | W | 93.4 | Very high | 93.2 | Very high | 39 Ų | 39 | 30.2 Ų | 30.2 | 15% | 0.148 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.3 | -31 | 177.8 | -55.2 | -20.8 | 0 | 0 | 0 | 112.2 | F761 F764 V765 D768 Y892 L1012 S1013 P1014 M1019 | F761-W1016 HydrophobicContact CD2-CB 3.94Å; F761-W1016 HydrophobicContact CE2-CB 4.1Å; F761-W1016 HydrophobicContact CE2-CE3 4.39Å; F764-W1016 HydrophobicContact CB-CD2 4.18Å; F764-W1016 HydrophobicContact CB-CG 4.21Å; F764-W1016 HydrophobicContact CD2-CB 4.4Å; F764-W1016 AromaticContact CD2-CD1 3.59Å; F764-W1016 HydrophobicContact CD2-CG 4.06Å; F764-W1016 AromaticContact CG-CD1 3.93Å; F764-W1016 HydrophobicContact CG-CG 4.49Å; V765-W1016 HydrophobicContact CG2-CE3 4.37Å; V765-W1016 HydrophobicContact CG2-CZ3 4.3Å; D768-W1016 HydrophobicContact CB-CH2 3.73Å; D768-W1016 HydrophobicContact CB-CZ2 4.17Å; Y892-W1016 HydrophobicContact CE2-CZ3 4.4Å; L1012-W1016 HydrophobicContact CD2-CE3 4.37Å; L1012-W1016 HydrophobicContact CD2-CZ3 4.42Å; S1013-W1016 VanDerWaalsContact CB-CD2 3.49Å; S1013-W1016 PolarHBondContact O-N 3.21Å; P1014-W1016 VanDerWaalsContact C-N 3.27Å; P1014-W1016 PolarHBondContact O-N 3.12Å; W1016-M1019 WeakPolarHBondContact O-CE 3.24Å; W1016-M1019 WeakPolarHBondContact O-CG 3.43Å |
| 1017 | L | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -91.3 | -19.1 | -178.6 | -60.3 | -174.7 | 0 | 0 | 0 | 112.9 | F761 L910 F1008 Y1009 L1012 P1014 D1015 M1019 F1020 L1025 L1028 | F761-L1017 HydrophobicContact CD2-CD2 4.19Å; F761-L1017 HydrophobicContact CE2-CD2 3.71Å; F761-L1017 HydrophobicContact CZ-CD2 4.42Å; L910-L1017 HydrophobicContact CD2-CB 4.01Å; F1008-L1017 HydrophobicContact CD1-CD1 4.42Å; F1008-L1017 HydrophobicContact CE1-CD1 3.39Å; F1008-L1017 HydrophobicContact CZ-CD1 3.94Å; Y1009-L1017 HydrophobicContact CE1-CD1 3.97Å; L1012-L1017 HydrophobicContact CB-CD1 4.43Å; L1012-L1017 HydrophobicContact CD1-CD1 4.07Å; P1014-L1017 PolarHBondContact O-N 2.99Å; P1014-L1017 VanDerWaalsContact O-N 3.16Å; D1015-L1017 VanDerWaalsContact C-N 3.34Å; L1017-M1019 PolarHBondContact O-N 3.45Å; L1017-F1020 HydrophobicContact CD2-CD2 4.3Å; L1017-F1020 HydrophobicContact CD2-CE2 4.48Å; L1017-F1020 PolarHBondContact O-N 2.87Å; L1017-L1025 HydrophobicContact CD1-CD1 4.44Å; L1017-L1025 HydrophobicContact CD2-CD1 4.3Å; L1017-L1028 HydrophobicContact CD2-CD2 3.95Å |
| 1018 | A | 90.9 | Very high | 92.8 | Very high | 48 Ų | 48 | 26 Ų | 26 | 40% | 0.397 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -26.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R912 P1014 F1020 | R912-A1018 PolarHBondContact NH2-O 3.41Å; R912-A1018 VanDerWaalsContact NH2-O 3.08Å; P1014-A1018 PolarHBondContact O-N 3.1Å; A1018-F1020 VanDerWaalsContact C-N 3.31Å; A1018-F1020 PolarHBondContact O-N 2.89Å |
| 1019 | M | 93.3 | Very high | 92.6 | Very high | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.03 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -8 | 179.1 | 65.1 | 175.8 | 158.4 | 0 | 0 | 115.3 | L745 P749 R757 L760 F761 F764 W1016 L1017 | L745-M1019 HydrophobicContact CD1-CB 4.2Å; L745-M1019 HydrophobicContact CD1-SD 4.17Å; P749-M1019 HydrophobicContact CB-CB 3.75Å; P749-M1019 HydrophobicContact CG-CB 4.36Å; R757-M1019 HydrophobicContact CB-SD 3.89Å; R757-M1019 HydrophobicContact CG-SD 4.12Å; R757-M1019 PolarHBondContact NH1-O 2.94Å; R757-M1019 WeakPolarHBondContact O-CE 3.38Å; L760-M1019 HydrophobicContact CD2-SD 4.07Å; F761-M1019 HydrophobicContact CB-CE 3.62Å; F761-M1019 HydrophobicContact CD2-CE 4.49Å; F764-M1019 HydrophobicContact CD2-CE 4.43Å; F764-M1019 HydrophobicContact CE2-CE 4.29Å; W1016-M1019 WeakPolarHBondContact O-CE 3.24Å; W1016-M1019 WeakPolarHBondContact O-CG 3.43Å; L1017-M1019 PolarHBondContact O-N 3.45Å |
| 1020 | F | 94.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -105.2 | 143.9 | -179.8 | -59.8 | -66.2 | 0 | 0 | 0 | 111.6 | R757 V758 F761 R912 L1017 A1018 E1024 L1028 | R757-F1020 HydrophobicContact CB-CE1 3.82Å; R757-F1020 HydrophobicContact CB-CZ 4.32Å; V758-F1020 HydrophobicContact CG2-CE1 3.99Å; V758-F1020 HydrophobicContact CG2-CZ 4.33Å; F761-F1020 HydrophobicContact CB-CE2 4.05Å; F761-F1020 HydrophobicContact CB-CZ 3.91Å; F761-F1020 HydrophobicContact CD2-CE2 4.19Å; F761-F1020 HydrophobicContact CG-CE2 4.21Å; F761-F1020 HydrophobicContact CG-CZ 4.45Å; R912-F1020 PolarHBondContact NH2-O 3.03Å; L1017-F1020 HydrophobicContact CD2-CD2 4.3Å; L1017-F1020 HydrophobicContact CD2-CE2 4.48Å; L1017-F1020 PolarHBondContact O-N 2.87Å; A1018-F1020 VanDerWaalsContact C-N 3.31Å; A1018-F1020 PolarHBondContact O-N 2.89Å; F1020-E1024 WeakPolarHBondContact CA-OE2 3.22Å; F1020-E1024 HydrophobicContact CB-CB 3.98Å; F1020-E1024 HydrophobicContact CD1-CB 4.2Å; F1020-L1028 HydrophobicContact CD2-CD2 4.24Å; F1020-L1028 HydrophobicContact CE2-CD2 3.99Å |
| 1021 | S | 90.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.014 | 14% | 0.137 | C | C | . | . | trans | -72 | 167.2 | 164.5 | 74.6 | 0 | 0 | 0 | 0 | 111.3 | S1023 E1024 L1025 | S1021-S1023 VanDerWaalsContact C-N 3.31Å; S1021-S1023 PolarHBondContact O-N 3.14Å; S1021-S1023 PolarHBondContact OG-OG 2.61Å; S1021-E1024 PolarHBondContact N-OE2 3.39Å; S1021-E1024 PolarHBondContact O-N 2.95Å; S1021-E1024 WeakPolarHBondContact OG-CB 3.15Å; S1021-E1024 WeakPolarHBondContact OG-CG 3.49Å; S1021-E1024 PolarHBondContact OG-N 3.49Å; S1021-E1024 VanDerWaalsContact OG-N 3.11Å; S1021-L1025 WeakPolarHBondContact O-CB 3.48Å; S1021-L1025 PolarHBondContact O-N 3.39Å | ||
| 1022 | P | 91.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.2 | -44.3 | 172.3 | -28 | 36.6 | 0 | 0 | 0 | 113.3 | E707 N903 L906 T907 L910 E1024 L1025 Q1026 | E707-P1022 WeakPolarHBondContact OE1-CD 3.38Å; N903-P1022 VanDerWaalsContact OD1-CB 3.29Å; N903-P1022 WeakPolarHBondContact OD1-CB 3.45Å; L906-P1022 HydrophobicContact CB-CB 3.94Å; L906-P1022 WeakPolarHBondContact CD1-O 3.28Å; T907-P1022 WeakPolarHBondContact OG1-CG 3.09Å; L910-P1022 HydrophobicContact CD1-CG 4.1Å; P1022-E1024 VanDerWaalsContact C-N 3.35Å; P1022-E1024 PolarHBondContact O-N 3.14Å; P1022-L1025 PolarHBondContact O-N 3.33Å; P1022-Q1026 PolarHBondContact O-N 3.23Å |
| 1023 | S | 89.9 | Confident | 89 | Confident | 46 Ų | 46 | 32.3 Ų | 32.3 | 32% | 0.322 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.5 | -37.8 | 177 | 45.9 | 0 | 0 | 0 | 0 | 112.5 | S710 S1021 Q1026 T1027 | S710-S1023 PolarHBondContact O-OG 2.8Å; S1021-S1023 VanDerWaalsContact C-N 3.31Å; S1021-S1023 PolarHBondContact O-N 3.14Å; S1021-S1023 PolarHBondContact OG-OG 2.61Å; S1023-Q1026 WeakPolarHBondContact O-CB 3.42Å; S1023-Q1026 PolarHBondContact O-N 3.49Å; S1023-T1027 PolarHBondContact O-N 3.22Å; S1023-T1027 PolarHBondContact O-OG1 3.13Å |
| 1024 | E | 92.2 | Very high | 87.8 | Confident | 25 Ų | 25 | 33.6 Ų | 33.6 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.4 | -35.6 | 176 | -69.8 | -179.1 | 135.1 | 0 | 0 | 113.1 | H754 R757 F1020 S1021 P1022 Q1026 T1027 L1028 | H754-E1024 IonicContact CE1-OE1 2.8Å; H754-E1024 IonicContact CG-OE1 3.36Å; H754-E1024 VanDerWaalsContact ND1-CD 3.29Å; H754-E1024 VanDerWaalsContact ND1-CG 3.27Å; H754-E1024 WeakPolarHBondContact ND1-CG 3.11Å; H754-E1024 IonicContact ND1-OE1 3.85Å; H754-E1024 PolarHBondContact ND1-OE1 3.21Å; R757-E1024 IonicContact CZ-OE1 3.35Å; R757-E1024 IonicContact CZ-OE2 3.17Å; R757-E1024 VanDerWaalsContact NH1-CD 3.33Å; R757-E1024 IonicContact NH1-OE1 2.77Å; R757-E1024 PolarHBondContact NH1-OE1 3.44Å; R757-E1024 IonicContact NH1-OE2 2.7Å; R757-E1024 PolarHBondContact NH1-OE2 2.98Å; R757-E1024 IonicContact NH2-OE1 2.97Å; R757-E1024 PolarHBondContact NH2-OE1 3.23Å; R757-E1024 IonicContact NH2-OE2 2.98Å; F1020-E1024 WeakPolarHBondContact CA-OE2 3.22Å; F1020-E1024 HydrophobicContact CB-CB 3.98Å; F1020-E1024 HydrophobicContact CD1-CB 4.2Å; S1021-E1024 PolarHBondContact N-OE2 3.39Å; S1021-E1024 PolarHBondContact O-N 2.95Å; S1021-E1024 WeakPolarHBondContact OG-CB 3.15Å; S1021-E1024 WeakPolarHBondContact OG-CG 3.49Å; S1021-E1024 PolarHBondContact OG-N 3.49Å; S1021-E1024 VanDerWaalsContact OG-N 3.11Å; P1022-E1024 VanDerWaalsContact C-N 3.35Å; P1022-E1024 PolarHBondContact O-N 3.14Å; E1024-Q1026 VanDerWaalsContact C-N 3.29Å; E1024-T1027 WeakPolarHBondContact O-CB 3.47Å; E1024-T1027 PolarHBondContact O-N 3.18Å; E1024-L1028 PolarHBondContact O-N 3.17Å |
| 1025 | L | 94.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.4 | -38.2 | 172.1 | 179.2 | 61.4 | 0 | 0 | 0 | 110.8 | L906 L909 L910 L1017 S1021 P1022 T1027 L1028 I1029 | L906-L1025 HydrophobicContact CD2-CD2 4.19Å; L906-L1025 HydrophobicContact CD2-CG 4.45Å; L909-L1025 HydrophobicContact CD2-CD2 3.92Å; L909-L1025 HydrophobicContact CG-CD2 4.37Å; L910-L1025 HydrophobicContact CD1-CD2 4.28Å; L910-L1025 HydrophobicContact CD2-CD2 3.84Å; L910-L1025 HydrophobicContact CG-CD2 3.83Å; L1017-L1025 HydrophobicContact CD1-CD1 4.44Å; L1017-L1025 HydrophobicContact CD2-CD1 4.3Å; S1021-L1025 WeakPolarHBondContact O-CB 3.48Å; S1021-L1025 PolarHBondContact O-N 3.39Å; P1022-L1025 PolarHBondContact O-N 3.33Å; L1025-T1027 VanDerWaalsContact C-N 3.3Å; L1025-T1027 PolarHBondContact O-N 3.37Å; L1025-L1028 HydrophobicContact CD1-CD2 4.22Å; L1025-L1028 WeakPolarHBondContact O-CB 3.3Å; L1025-L1028 PolarHBondContact O-N 3.08Å; L1025-L1028 VanDerWaalsContact O-N 3.17Å; L1025-I1029 HydrophobicContact CD1-CD1 4.1Å; L1025-I1029 HydrophobicContact CD1-CG1 4.31Å; L1025-I1029 HydrophobicContact CG-CD1 3.9Å; L1025-I1029 WeakPolarHBondContact O-CG1 3.46Å; L1025-I1029 PolarHBondContact O-N 3.39Å |
| 1026 | Q | 92.6 | Very high | 86.4 | Confident | 19 Ų | 19 | 28.7 Ų | 28.7 | 9% | 0.089 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.8 | -42.9 | 172.4 | -175.2 | 62 | 65.8 | 0 | 0 | 111.4 | V899 F901 L906 P1022 S1023 E1024 L1028 I1029 S1030 | V899-Q1026 PolarHBondContact O-NE2 2.73Å; V899-Q1026 VanDerWaalsContact O-NE2 3.1Å; F901-Q1026 PolarHBondContact O-OE1 2.9Å; L906-Q1026 HydrophobicContact CD1-CB 3.7Å; L906-Q1026 HydrophobicContact CD1-CG 4.41Å; P1022-Q1026 PolarHBondContact O-N 3.23Å; S1023-Q1026 WeakPolarHBondContact O-CB 3.42Å; S1023-Q1026 PolarHBondContact O-N 3.49Å; E1024-Q1026 VanDerWaalsContact C-N 3.29Å; Q1026-L1028 VanDerWaalsContact C-N 3.33Å; Q1026-I1029 PolarHBondContact O-N 2.92Å; Q1026-S1030 VanDerWaalsContact NE2-CB 3.34Å; Q1026-S1030 PolarHBondContact NE2-OG 2.86Å; Q1026-S1030 PolarHBondContact O-N 3.14Å |
| 1027 | T | 90.1 | Very high | 86.1 | Confident | 40 Ų | 40 | 30.9 Ų | 30.9 | 25% | 0.245 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.1 | -34.5 | 175.9 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | S1023 E1024 L1025 G1031 L1089 | S1023-T1027 PolarHBondContact O-N 3.22Å; S1023-T1027 PolarHBondContact O-OG1 3.13Å; E1024-T1027 WeakPolarHBondContact O-CB 3.47Å; E1024-T1027 PolarHBondContact O-N 3.18Å; L1025-T1027 VanDerWaalsContact C-N 3.3Å; L1025-T1027 PolarHBondContact O-N 3.37Å; T1027-G1031 CarbonylContact O-C 3.53Å; T1027-G1031 WeakPolarHBondContact O-CA 3.41Å; T1027-G1031 PolarHBondContact O-N 3.29Å; T1027-L1089 HydrophobicContact CG2-CD1 3.68Å |
| 1028 | L | 91 | Very high | 85.9 | Confident | 18 Ų | 18 | 31.4 Ų | 31.4 | 9% | 0.094 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.4 | -38.2 | 174.4 | -173.6 | 65.2 | 0 | 0 | 0 | 112.1 | F761 V891 L1017 F1020 E1024 L1025 Q1026 L1089 | F761-L1028 HydrophobicContact CD1-CD1 4.14Å; F761-L1028 HydrophobicContact CD1-CD2 4.36Å; F761-L1028 HydrophobicContact CE1-CD1 4.27Å; F761-L1028 HydrophobicContact CE1-CD2 4.22Å; F761-L1028 HydrophobicContact CZ-CD2 4.33Å; V891-L1028 HydrophobicContact CG1-CD2 4.06Å; V891-L1028 HydrophobicContact CG1-CG 4.23Å; L1017-L1028 HydrophobicContact CD2-CD2 3.95Å; F1020-L1028 HydrophobicContact CD2-CD2 4.24Å; F1020-L1028 HydrophobicContact CE2-CD2 3.99Å; E1024-L1028 PolarHBondContact O-N 3.17Å; L1025-L1028 HydrophobicContact CD1-CD2 4.22Å; L1025-L1028 WeakPolarHBondContact O-CB 3.3Å; L1025-L1028 PolarHBondContact O-N 3.08Å; L1025-L1028 VanDerWaalsContact O-N 3.17Å; Q1026-L1028 VanDerWaalsContact C-N 3.33Å; L1028-L1089 HydrophobicContact CD1-CD2 4Å |
| 1029 | I | 90.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -78.1 | -51.2 | -179.6 | -68.1 | 164.7 | 0 | 0 | 0 | 111.5 | L887 V891 V896 V897 F901 L906 L1025 Q1026 | L887-I1029 HydrophobicContact CD1-CG2 3.84Å; L887-I1029 HydrophobicContact CD2-CD1 4.28Å; V891-I1029 HydrophobicContact CG2-CG1 3.86Å; V896-I1029 CarbonylContact C-O 3.5Å; V896-I1029 WeakPolarHBondContact CA-O 3.32Å; V897-I1029 PolarHBondContact N-O 3.06Å; F901-I1029 HydrophobicContact CD2-CD1 4.39Å; F901-I1029 HydrophobicContact CE2-CD1 4.48Å; F901-I1029 HydrophobicContact CE2-CG2 4.24Å; L906-I1029 HydrophobicContact CD2-CD1 4.2Å; L1025-I1029 HydrophobicContact CD1-CD1 4.1Å; L1025-I1029 HydrophobicContact CD1-CG1 4.31Å; L1025-I1029 HydrophobicContact CG-CD1 3.9Å; L1025-I1029 WeakPolarHBondContact O-CG1 3.46Å; L1025-I1029 PolarHBondContact O-N 3.39Å; Q1026-I1029 PolarHBondContact O-N 2.92Å |
| 1030 | S | 85.7 | Confident | 85.6 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -104.4 | 4 | -169 | -65.3 | 0 | 0 | 0 | 0 | 114.9 | V896 V897 V899 Q1026 R1086 | V896-S1030 WeakPolarHBondContact CG1-O 3.37Å; V897-S1030 VanDerWaalsContact O-CA 3.22Å; V897-S1030 WeakPolarHBondContact O-CA 3.47Å; V897-S1030 WeakPolarHBondContact O-CB 2.96Å; V897-S1030 PolarHBondContact O-OG 3.46Å; V899-S1030 PolarHBondContact N-OG 3.17Å; V899-S1030 PolarHBondContact O-OG 3.47Å; V899-S1030 VanDerWaalsContact O-OG 3.09Å; Q1026-S1030 VanDerWaalsContact NE2-CB 3.34Å; Q1026-S1030 PolarHBondContact NE2-OG 2.86Å; Q1026-S1030 PolarHBondContact O-N 3.14Å; S1030-R1086 WeakPolarHBondContact O-CD 3.31Å; S1030-R1086 PolarHBondContact O-NH1 3.1Å |
| 1031 | G | 80.2 | Confident | 85.5 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | trans | 73.9 | -179.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1027 | T1027-G1031 CarbonylContact O-C 3.53Å; T1027-G1031 WeakPolarHBondContact O-CA 3.41Å; T1027-G1031 PolarHBondContact O-N 3.29Å | ||
| 1032 | D | 71.9 | Confident | 85.5 | Confident | 83 Ų | 83 | 38.3 Ų | 38.3 | 44% | 0.444 | 23% | 0.225 | S | C | . | . | trans | -70.1 | 144.9 | 172.5 | -167.5 | 9.6 | 0 | 0 | 0 | 110.1 | S1034 | D1032-S1034 PolarHBondContact O-N 3.17Å; D1032-S1034 WeakPolarHBondContact OD2-CB 3.41Å; D1032-S1034 PolarHBondContact OD2-OG 3.02Å | ||
| 1033 | S | 65.9 | Low | 85.5 | Confident | 115 Ų | 115 | 45.5 Ų | 45.5 | 80% | 0.804 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -78.5 | 1.6 | 178.5 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1034 | S | 68.2 | Low | 85.5 | Confident | 61 Ų | 61 | 46.4 Ų | 46.4 | 43% | 0.427 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -69.8 | 143.9 | 179.4 | 51.6 | 0 | 0 | 0 | 0 | 111.9 | D1032 | D1032-S1034 PolarHBondContact O-N 3.17Å; D1032-S1034 WeakPolarHBondContact OD2-CB 3.41Å; D1032-S1034 PolarHBondContact OD2-OG 3.02Å |
| 1035 | S | 73.3 | Confident | 85.5 | Confident | 76 Ų | 76 | 45.7 Ų | 45.7 | 53% | 0.531 | 26% | 0.255 | S | S | . | . | trans | -57.1 | 147.4 | 170.3 | 57.3 | 0 | 0 | 0 | 0 | 110.2 | D1037 | S1035-D1037 PolarHBondContact O-N 2.85Š| ||
| 1036 | M | 81.5 | Confident | 85.4 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 6% | 0.064 | 28% | 0.284 | C | S | . | . | trans | -53.1 | 115.2 | 179.2 | -175.8 | 170.7 | 78.8 | 0 | 0 | 111.8 | I1038 L1041 R1074 F1077 L1078 F1092 | M1036-I1038 HydrophobicContact CE-CD1 3.2Å; M1036-I1038 HydrophobicContact CG-CD1 4.18Å; M1036-I1038 PolarHBondContact O-N 3.43Å; M1036-I1038 HydrophobicContact SD-CD1 4.48Å; M1036-L1041 HydrophobicContact CE-CD2 4.3Å; M1036-L1041 HydrophobicContact SD-CD2 4.28Å; M1036-R1074 HydrophobicContact CE-CB 3.61Å; M1036-R1074 HydrophobicContact CE-CG 3.98Å; M1036-F1077 HydrophobicContact CE-CD1 4.31Å; M1036-L1078 HydrophobicContact SD-CB 3.82Å; M1036-L1078 HydrophobicContact SD-CD1 4.4Å; M1036-L1078 HydrophobicContact SD-CD2 3.99Å; M1036-L1078 HydrophobicContact SD-CG 4.27Å; M1036-F1092 HydrophobicContact CG-CE2 4.09Å; M1036-F1092 HydrophobicContact CG-CZ 3.87Å; M1036-F1092 HydrophobicContact SD-CZ 4.16Å | ||
| 1037 | D | 85.3 | Confident | 85.3 | Confident | 86 Ų | 86 | 55 Ų | 55 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | trans | -71.6 | 98 | 174.7 | -172.5 | -17.3 | 0 | 0 | 0 | 109.9 | S1035 D1039 D1040 L1041 | S1035-D1037 PolarHBondContact O-N 2.85Å; D1037-D1039 PolarHBondContact O-N 3.04Å; D1037-D1039 WeakPolarHBondContact OD1-CA 3.38Å; D1037-D1039 WeakPolarHBondContact OD1-CB 3.36Å; D1037-D1039 PolarHBondContact OD1-N 3.39Å; D1037-D1040 HydrophobicContact CB-CB 3.9Å; D1037-D1040 PolarHBondContact O-N 3.4Å; D1037-D1040 PolarHBondContact OD1-N 2.98Å; D1037-L1041 PolarHBondContact O-N 2.88Å | ||
| 1038 | I | 89.8 | Confident | 85.1 | Confident | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -31.1 | 179.5 | -53.5 | -57.7 | 0 | 0 | 0 | 111.4 | M1036 K1042 W1062 L1065 R1074 | M1036-I1038 HydrophobicContact CE-CD1 3.2Å; M1036-I1038 HydrophobicContact CG-CD1 4.18Å; M1036-I1038 PolarHBondContact O-N 3.43Å; M1036-I1038 HydrophobicContact SD-CD1 4.48Å; I1038-K1042 WeakPolarHBondContact O-CB 3.28Å; I1038-K1042 PolarHBondContact O-N 3.5Å; I1038-W1062 HydrophobicContact CG2-CE3 3.77Å; I1038-W1062 HydrophobicContact CG2-CZ3 4.17Å; I1038-L1065 HydrophobicContact CD1-CB 4.35Å; I1038-L1065 HydrophobicContact CG2-CB 4.36Å; I1038-R1074 HydrophobicContact CD1-CG 4.25Å |
| 1039 | D | 89.7 | Confident | 84.7 | Confident | 91 Ų | 91 | 56 Ų | 56 | 49% | 0.487 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -76.4 | -39.5 | -177.7 | -67.9 | -41.3 | 0 | 0 | 0 | 110.6 | D1037 K1042 Q1043 R1066 | D1037-D1039 PolarHBondContact O-N 3.04Å; D1037-D1039 WeakPolarHBondContact OD1-CA 3.38Å; D1037-D1039 WeakPolarHBondContact OD1-CB 3.36Å; D1037-D1039 PolarHBondContact OD1-N 3.39Å; D1039-K1042 PolarHBondContact O-N 3.5Å; D1039-Q1043 WeakPolarHBondContact O-CB 3.48Å; D1039-Q1043 PolarHBondContact O-N 3.31Å; D1039-R1066 IonicContact OD1-CZ 2.72Å; D1039-R1066 IonicContact OD1-NE 3.63Å; D1039-R1066 IonicContact OD1-NH2 3.74Å; D1039-R1066 PolarHBondContact OD1-NH2 2.84Å |
| 1040 | D | 89.7 | Confident | 84.2 | Confident | 30 Ų | 30 | 59 Ų | 59 | 16% | 0.16 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63 | -44.6 | 170.9 | -175.5 | 42.3 | 0 | 0 | 0 | 112 | D1037 K1042 Q1043 H1044 G1091 F1092 | D1037-D1040 HydrophobicContact CB-CB 3.9Å; D1037-D1040 PolarHBondContact O-N 3.4Å; D1037-D1040 PolarHBondContact OD1-N 2.98Å; D1040-K1042 VanDerWaalsContact C-N 3.33Å; D1040-K1042 PolarHBondContact O-N 3.49Å; D1040-Q1043 PolarHBondContact O-N 2.94Å; D1040-H1044 PolarHBondContact O-N 2.94Å; D1040-H1044 VanDerWaalsContact O-N 3.13Å; D1040-H1044 PolarHBondContact O-ND1 3.12Å; D1040-H1044 IonicContact OD1-CE1 2.71Å; D1040-H1044 PolarHBondContact OD1-CE1 2.99Å; D1040-H1044 IonicContact OD1-ND1 2.68Å; D1040-H1044 PolarHBondContact OD1-ND1 2.78Å; D1040-G1091 VanDerWaalsContact OD2-CA 3.27Å; D1040-G1091 WeakPolarHBondContact OD2-CA 3.45Å; D1040-F1092 HydrophobicContact CB-CD2 4.26Å; D1040-F1092 WeakPolarHBondContact OD2-CD2 3.28Å; D1040-F1092 PolarHBondContact OD2-N 3.33Å |
| 1041 | L | 91.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.3 | -47.6 | 175 | 179.6 | 57.7 | 0 | 0 | 0 | 110.8 | M1036 D1037 Q1043 H1044 T1045 W1062 F1077 F1092 F1099 | M1036-L1041 HydrophobicContact CE-CD2 4.3Å; M1036-L1041 HydrophobicContact SD-CD2 4.28Å; D1037-L1041 PolarHBondContact O-N 2.88Å; L1041-Q1043 VanDerWaalsContact C-N 3.34Å; L1041-Q1043 PolarHBondContact O-N 2.77Å; L1041-H1044 PolarHBondContact O-N 3.28Å; L1041-T1045 WeakPolarHBondContact O-CB 3.29Å; L1041-T1045 PolarHBondContact O-N 2.87Å; L1041-T1045 PolarHBondContact O-OG1 3.4Å; L1041-W1062 HydrophobicContact CB-CZ3 4.39Å; L1041-W1062 HydrophobicContact CD2-CH2 4.26Å; L1041-W1062 HydrophobicContact CD2-CZ3 4.02Å; L1041-W1062 HydrophobicContact CG-CH2 3.91Å; L1041-W1062 HydrophobicContact CG-CZ3 4Å; L1041-F1077 HydrophobicContact CD2-CE1 4.31Å; L1041-F1092 VanDerWaalsContact CA-CD2 3.48Å; L1041-F1092 HydrophobicContact CB-CD2 3.61Å; L1041-F1092 HydrophobicContact CB-CE2 3.59Å; L1041-F1092 HydrophobicContact CB-CG 4.11Å; L1041-F1092 HydrophobicContact CB-CZ 4.08Å; L1041-F1092 HydrophobicContact CD1-CD1 3.59Å; L1041-F1092 HydrophobicContact CD1-CD2 4.19Å; L1041-F1092 HydrophobicContact CD1-CE1 3.7Å; L1041-F1092 HydrophobicContact CD1-CE2 4.27Å; L1041-F1092 HydrophobicContact CD1-CG 3.84Å; L1041-F1092 HydrophobicContact CD1-CZ 4.01Å; L1041-F1092 HydrophobicContact CD2-CZ 4.37Å; L1041-F1092 HydrophobicContact CG-CD2 4.46Å; L1041-F1092 HydrophobicContact CG-CE2 4.35Å; L1041-F1092 HydrophobicContact CG-CZ 4.36Å; L1041-F1099 HydrophobicContact CD1-CB 4.04Å; L1041-F1099 HydrophobicContact CD1-CD1 4.04Å; L1041-F1099 HydrophobicContact CD1-CD2 3.89Å; L1041-F1099 HydrophobicContact CD1-CE1 4.45Å; L1041-F1099 HydrophobicContact CD1-CE2 4.29Å; L1041-F1099 HydrophobicContact CD1-CG 3.74Å |
| 1042 | K | 91.8 | Very high | 84.8 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 35% | 0.348 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 179 | 178.5 | 179.2 | 176.6 | -166.1 | 0 | 112.4 | I1038 D1039 D1040 H1044 T1045 W1062 | I1038-K1042 WeakPolarHBondContact O-CB 3.28Å; I1038-K1042 PolarHBondContact O-N 3.5Å; D1039-K1042 PolarHBondContact O-N 3.5Å; D1040-K1042 VanDerWaalsContact C-N 3.33Å; D1040-K1042 PolarHBondContact O-N 3.49Å; K1042-H1044 VanDerWaalsContact C-N 3.3Å; K1042-H1044 PolarHBondContact O-N 3.4Å; K1042-T1045 PolarHBondContact O-N 2.87Å; K1042-W1062 HydrophobicContact CB-CD2 3.92Å; K1042-W1062 HydrophobicContact CB-CE3 3.9Å; K1042-W1062 HydrophobicContact CB-CH2 3.86Å; K1042-W1062 HydrophobicContact CB-CZ2 3.85Å; K1042-W1062 HydrophobicContact CB-CZ3 3.87Å; K1042-W1062 HydrophobicContact CD-CB 4.47Å; K1042-W1062 HydrophobicContact CD-CD2 3.94Å; K1042-W1062 HydrophobicContact CD-CG 3.86Å; K1042-W1062 HydrophobicContact CG-CD2 3.87Å; K1042-W1062 HydrophobicContact CG-CE3 4.37Å; K1042-W1062 HydrophobicContact CG-CG 4.26Å; K1042-W1062 HydrophobicContact CG-CH2 4.47Å; K1042-W1062 HydrophobicContact CG-CZ2 3.95Å |
| 1043 | Q | 90.8 | Very high | 85.6 | Confident | 152 Ų | 152 | 62.5 Ų | 62.5 | 71% | 0.71 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.6 | -37.2 | 179.5 | -179.5 | 173.9 | -3.3 | 0 | 0 | 111.9 | D1039 D1040 L1041 | D1039-Q1043 WeakPolarHBondContact O-CB 3.48Å; D1039-Q1043 PolarHBondContact O-N 3.31Å; D1040-Q1043 PolarHBondContact O-N 2.94Å; L1041-Q1043 VanDerWaalsContact C-N 3.34Å; L1041-Q1043 PolarHBondContact O-N 2.77Å |
| 1044 | H | 90.4 | Very high | 86.7 | Confident | 65 Ų | 65 | 62.1 Ų | 62.1 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -96.4 | 4.6 | -178.5 | -62.8 | 101.3 | 0 | 0 | 0 | 114 | D1040 L1041 K1042 F1092 | D1040-H1044 PolarHBondContact O-N 2.94Å; D1040-H1044 VanDerWaalsContact O-N 3.13Å; D1040-H1044 PolarHBondContact O-ND1 3.12Å; D1040-H1044 IonicContact OD1-CE1 2.71Å; D1040-H1044 PolarHBondContact OD1-CE1 2.99Å; D1040-H1044 IonicContact OD1-ND1 2.68Å; D1040-H1044 PolarHBondContact OD1-ND1 2.78Å; L1041-H1044 PolarHBondContact O-N 3.28Å; K1042-H1044 VanDerWaalsContact C-N 3.3Å; K1042-H1044 PolarHBondContact O-N 3.4Å; H1044-F1092 HydrophobicContact CB-CB 4.18Å |
| 1045 | T | 92.7 | Very high | 87.8 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | trans | -78.5 | 129.2 | 177.2 | -66.6 | 0 | 0 | 0 | 0 | 112 | L1041 K1042 Y1047 W1062 F1099 I1101 | L1041-T1045 WeakPolarHBondContact O-CB 3.29Å; L1041-T1045 PolarHBondContact O-N 2.87Å; L1041-T1045 PolarHBondContact O-OG1 3.4Å; K1042-T1045 PolarHBondContact O-N 2.87Å; T1045-Y1047 HydrophobicContact CG2-CD1 4.34Å; T1045-Y1047 HydrophobicContact CG2-CE1 3.86Å; T1045-Y1047 HydrophobicContact CG2-CE2 4.18Å; T1045-Y1047 WeakPolarHBondContact O-CE2 3.4Å; T1045-W1062 HydrophobicContact CG2-CZ2 4.07Å; T1045-W1062 WeakPolarHBondContact OG1-CH2 3.33Å; T1045-F1099 CarbonylContact C-O 3.55Å; T1045-F1099 WeakPolarHBondContact CA-O 3.43Å; T1045-F1099 HydrophobicContact CG2-CD1 3.82Å; T1045-F1099 HydrophobicContact CG2-CE1 4.37Å; T1045-F1099 WeakPolarHBondContact OG1-CD1 3.47Å; T1045-I1101 HydrophobicContact CG2-CD1 3.73Å; T1045-I1101 HydrophobicContact CG2-CG1 3.75Å | ||
| 1046 | R | 91 | Very high | 88.8 | Confident | 162 Ų | 162 | 63.2 Ų | 63.2 | 61% | 0.611 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 145.9 | 169.4 | -62.7 | -175.7 | 179.2 | 176.4 | 1.4 | 110.6 | P1098 F1099 C1100 I1101 | R1046-P1098 VanDerWaalsContact CZ-CG 3.5Å; R1046-F1099 PolarHBondContact N-O 3.17Å; R1046-C1100 CarbonylContact O-C 3.52Å; R1046-C1100 VanDerWaalsContact O-CA 3.26Å; R1046-C1100 WeakPolarHBondContact O-CA 3.28Å; R1046-I1101 PolarHBondContact O-N 3.36Å |
| 1047 | Y | 90.7 | Very high | 89.2 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 142.6 | 179 | -55.6 | -87 | 0 | 0 | 0 | 110.4 | T1045 F1051 I1058 W1062 I1101 | T1045-Y1047 HydrophobicContact CG2-CD1 4.34Å; T1045-Y1047 HydrophobicContact CG2-CE1 3.86Å; T1045-Y1047 HydrophobicContact CG2-CE2 4.18Å; T1045-Y1047 WeakPolarHBondContact O-CE2 3.4Å; Y1047-F1051 WeakPolarHBondContact CB-O 3.27Å; Y1047-F1051 HydrophobicContact CD1-CB 4.38Å; Y1047-I1058 HydrophobicContact CD1-CD1 3.96Å; Y1047-I1058 HydrophobicContact CD1-CG1 4.12Å; Y1047-I1058 HydrophobicContact CD1-CG2 4.26Å; Y1047-I1058 HydrophobicContact CE1-CB 4.36Å; Y1047-I1058 HydrophobicContact CE1-CD1 3.9Å; Y1047-I1058 HydrophobicContact CE1-CG1 4.04Å; Y1047-I1058 HydrophobicContact CE1-CG2 3.4Å; Y1047-W1062 PolarHBondContact OH-NE1 2.79Å; Y1047-I1101 CarbonylContact C-O 3.43Å; Y1047-I1101 WeakPolarHBondContact CA-O 3.45Å; Y1047-I1101 HydrophobicContact CD1-CB 4.17Å; Y1047-I1101 HydrophobicContact CE1-CD1 4Å |
| 1048 | S | 86.6 | Confident | 89.6 | Confident | 41 Ų | 41 | 58.5 Ų | 58.5 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 171.5 | 179.3 | 63.4 | 0 | 0 | 0 | 0 | 112.3 | G1050 F1051 I1101 R1102 C1103 | S1048-G1050 VanDerWaalsContact C-N 3.29Å; S1048-G1050 PolarHBondContact O-N 2.94Å; S1048-F1051 PolarHBondContact O-N 3.34Å; S1048-I1101 PolarHBondContact N-O 3.43Å; S1048-R1102 WeakPolarHBondContact O-CA 3.48Å; S1048-R1102 VanDerWaalsContact OG-CB 3.26Å; S1048-R1102 WeakPolarHBondContact OG-CB 3.42Å; S1048-C1103 PolarHBondContact O-N 3.33Å; S1048-C1103 VanDerWaalsContact O-N 3.14Å |
| 1049 | G | 81.6 | Confident | 89.8 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 40% | 0.402 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 19.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | C1103 | G1049-C1103 VanDerWaalsContact O-CB 3.28Å; G1049-C1103 WeakPolarHBondContact O-CB 3.49Å |
| 1050 | G | 81.3 | Confident | 90.1 | Very high | 62 Ų | 62 | 64.3 Ų | 64.3 | 64% | 0.639 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.2 | -8.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1048 | S1048-G1050 VanDerWaalsContact C-N 3.29Å; S1048-G1050 PolarHBondContact O-N 2.94Å |
| 1051 | F | 89.1 | Confident | 90.4 | Very high | 9 Ų | 9 | 62.9 Ų | 62.9 | 4% | 0.039 | 31% | 0.311 | C | S | . | . | trans | -72.7 | 145.7 | 166.5 | -73.4 | -25.1 | 0 | 0 | 0 | 111.6 | Y1047 S1048 H1055 V1057 I1058 I1101 C1103 L1149 | Y1047-F1051 WeakPolarHBondContact CB-O 3.27Å; Y1047-F1051 HydrophobicContact CD1-CB 4.38Å; S1048-F1051 PolarHBondContact O-N 3.34Å; F1051-H1055 HydrophobicContact CD1-CB 4.33Å; F1051-H1055 AromaticContact CD1-CE1 3.77Å; F1051-H1055 AromaticContact CD1-CG 3.73Å; F1051-H1055 AromaticContact CD1-ND1 3.45Å; F1051-H1055 WeakPolarHBondContact CD1-ND1 3.17Å; F1051-H1055 AromaticContact CE1-CE1 3.44Å; F1051-H1055 VanDerWaalsContact CE1-CE1 3.44Å; F1051-H1055 WeakPolarHBondContact CE1-CE1 3.31Å; F1051-H1055 AromaticContact CE1-ND1 3.44Å; F1051-H1055 WeakPolarHBondContact CE1-ND1 3.25Å; F1051-V1057 HydrophobicContact CE1-CB 4.37Å; F1051-V1057 HydrophobicContact CZ-CB 4.47Å; F1051-V1057 HydrophobicContact CZ-CG1 4.31Å; F1051-I1058 HydrophobicContact CB-CD1 4.13Å; F1051-I1058 HydrophobicContact CB-CG1 4.04Å; F1051-I1058 HydrophobicContact CD1-CD1 4.48Å; F1051-I1058 HydrophobicContact CD1-CG1 4.26Å; F1051-I1058 HydrophobicContact CD2-CD1 3.75Å; F1051-I1058 HydrophobicContact CD2-CG1 4.36Å; F1051-I1058 HydrophobicContact CE2-CD1 4.25Å; F1051-I1058 HydrophobicContact CG-CD1 3.88Å; F1051-I1058 HydrophobicContact CG-CG1 3.98Å; F1051-I1101 HydrophobicContact CD2-CG2 3.97Å; F1051-I1101 HydrophobicContact CE2-CG2 4.34Å; F1051-C1103 HydrophobicContact CD1-CB 3.77Å; F1051-C1103 HydrophobicContact CD2-CB 3.56Å; F1051-C1103 VanDerWaalsContact CD2-N 3.28Å; F1051-C1103 HydrophobicContact CE1-CB 3.67Å; F1051-C1103 WeakPolarHBondContact CE1-SG 3.31Å; F1051-C1103 HydrophobicContact CE2-CB 3.46Å; F1051-C1103 VanDerWaalsContact CE2-CB 3.46Å; F1051-C1103 HydrophobicContact CG-CB 3.72Å; F1051-C1103 HydrophobicContact CZ-CB 3.53Å; F1051-C1103 WeakPolarHBondContact CZ-SG 3.49Å; F1051-L1149 HydrophobicContact CE2-CB 3.97Å; F1051-L1149 HydrophobicContact CE2-CD2 4.34Å; F1051-L1149 HydrophobicContact CE2-CG 4.42Å; F1051-L1149 WeakPolarHBondContact CE2-O 3.48Å | ||
| 1052 | H | 89.4 | Confident | 90.5 | Very high | 99 Ų | 99 | 63 Ų | 63 | 46% | 0.458 | 31% | 0.311 | S | S | . | . | trans | -146.2 | 166 | 171.6 | 60.4 | 94 | 0 | 0 | 0 | 107.9 | N1054 H1055 | H1052-N1054 PolarHBondContact ND1-N 2.87Å; H1052-N1054 PolarHBondContact O-N 3.41Å; H1052-H1055 PolarHBondContact CE1-N 3.41Å; H1052-H1055 VanDerWaalsContact O-CB 3.26Å; H1052-H1055 WeakPolarHBondContact O-CB 3.39Å; H1052-H1055 PolarHBondContact O-N 3.02Å | ||
| 1053 | S | 88.3 | Confident | 90.6 | Very high | 57 Ų | 57 | 61.2 Ų | 61.2 | 40% | 0.399 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28 | -173.2 | 56.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1054 | N | 89.4 | Confident | 90.8 | Very high | 107 Ų | 107 | 54 Ų | 54 | 57% | 0.572 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -3.5 | 179.3 | -71 | -26.4 | 0 | 0 | 0 | 114.3 | H1052 | H1052-N1054 PolarHBondContact ND1-N 2.87Å; H1052-N1054 PolarHBondContact O-N 3.41Å |
| 1055 | H | 91.2 | Very high | 91 | Very high | 34 Ų | 34 | 50.9 Ų | 50.9 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | trans | -63.1 | 139.7 | -179.5 | -172 | -91 | 0 | 0 | 0 | 111 | F1051 H1052 V1057 I1058 R1059 | F1051-H1055 HydrophobicContact CD1-CB 4.33Å; F1051-H1055 AromaticContact CD1-CE1 3.77Å; F1051-H1055 AromaticContact CD1-CG 3.73Å; F1051-H1055 AromaticContact CD1-ND1 3.45Å; F1051-H1055 WeakPolarHBondContact CD1-ND1 3.17Å; F1051-H1055 AromaticContact CE1-CE1 3.44Å; F1051-H1055 VanDerWaalsContact CE1-CE1 3.44Å; F1051-H1055 WeakPolarHBondContact CE1-CE1 3.31Å; F1051-H1055 AromaticContact CE1-ND1 3.44Å; F1051-H1055 WeakPolarHBondContact CE1-ND1 3.25Å; H1052-H1055 PolarHBondContact CE1-N 3.41Å; H1052-H1055 VanDerWaalsContact O-CB 3.26Å; H1052-H1055 WeakPolarHBondContact O-CB 3.39Å; H1052-H1055 PolarHBondContact O-N 3.02Å; H1055-V1057 VanDerWaalsContact C-N 3.32Å; H1055-V1057 PolarHBondContact ND1-N 3.12Å; H1055-V1057 PolarHBondContact O-N 2.87Å; H1055-I1058 HydrophobicContact CB-CB 4.29Å; H1055-I1058 HydrophobicContact CB-CG1 4.01Å; H1055-I1058 WeakPolarHBondContact O-CB 3.28Å; H1055-I1058 PolarHBondContact O-N 3.17Å; H1055-R1059 PolarHBondContact O-N 3.13Å | ||
| 1056 | R | 92.6 | Very high | 90.9 | Very high | 127 Ų | 127 | 55 Ų | 55 | 48% | 0.479 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -54.1 | -45.4 | -173.1 | 73.3 | -176.5 | 179.2 | -140.3 | -7.9 | 113.2 | I1058 R1059 W1060 N1151 | R1056-I1058 VanDerWaalsContact C-N 3.32Å; R1056-I1058 PolarHBondContact O-N 3.48Å; R1056-R1059 PolarHBondContact O-N 3.31Å; R1056-W1060 HydrophobicContact CB-CZ2 4.38Å; R1056-W1060 HydrophobicContact CG-CH2 4.18Å; R1056-W1060 HydrophobicContact CG-CZ2 4.35Å; R1056-W1060 HydrophobicContact CG-CZ3 4.39Å; R1056-W1060 VanDerWaalsContact O-CG 3.22Å; R1056-W1060 PolarHBondContact O-N 2.82Å; R1056-N1151 PolarHBondContact NH2-OD1 3.38Å; R1056-N1151 VanDerWaalsContact NH2-OD1 3.17Å |
| 1057 | V | 91.3 | Very high | 91 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.8 | -35.5 | -177.9 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | F1051 H1055 W1060 L1061 L1149 N1151 L1158 | F1051-V1057 HydrophobicContact CE1-CB 4.37Å; F1051-V1057 HydrophobicContact CZ-CB 4.47Å; F1051-V1057 HydrophobicContact CZ-CG1 4.31Å; H1055-V1057 VanDerWaalsContact C-N 3.32Å; H1055-V1057 PolarHBondContact ND1-N 3.12Å; H1055-V1057 PolarHBondContact O-N 2.87Å; V1057-W1060 HydrophobicContact CB-CE3 4.5Å; V1057-W1060 HydrophobicContact CG2-CE3 4.13Å; V1057-W1060 HydrophobicContact CG2-CZ3 4.12Å; V1057-W1060 PolarHBondContact O-N 3.06Å; V1057-L1061 WeakPolarHBondContact O-CB 3.47Å; V1057-L1061 PolarHBondContact O-N 3.45Å; V1057-L1149 HydrophobicContact CG1-CD2 3.74Å; V1057-L1149 HydrophobicContact CG1-CG 4.39Å; V1057-N1151 VanDerWaalsContact CG2-OD1 3.25Å; V1057-N1151 WeakPolarHBondContact CG2-OD1 3.5Å; V1057-L1158 HydrophobicContact CG1-CD2 4.11Å |
| 1058 | I | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.8 | -43 | 175.8 | -63.9 | -55.5 | 0 | 0 | 0 | 110.5 | Y1047 F1051 H1055 R1056 W1060 L1061 W1062 I1101 | Y1047-I1058 HydrophobicContact CD1-CD1 3.96Å; Y1047-I1058 HydrophobicContact CD1-CG1 4.12Å; Y1047-I1058 HydrophobicContact CD1-CG2 4.26Å; Y1047-I1058 HydrophobicContact CE1-CB 4.36Å; Y1047-I1058 HydrophobicContact CE1-CD1 3.9Å; Y1047-I1058 HydrophobicContact CE1-CG1 4.04Å; Y1047-I1058 HydrophobicContact CE1-CG2 3.4Å; F1051-I1058 HydrophobicContact CB-CD1 4.13Å; F1051-I1058 HydrophobicContact CB-CG1 4.04Å; F1051-I1058 HydrophobicContact CD1-CD1 4.48Å; F1051-I1058 HydrophobicContact CD1-CG1 4.26Å; F1051-I1058 HydrophobicContact CD2-CD1 3.75Å; F1051-I1058 HydrophobicContact CD2-CG1 4.36Å; F1051-I1058 HydrophobicContact CE2-CD1 4.25Å; F1051-I1058 HydrophobicContact CG-CD1 3.88Å; F1051-I1058 HydrophobicContact CG-CG1 3.98Å; H1055-I1058 HydrophobicContact CB-CB 4.29Å; H1055-I1058 HydrophobicContact CB-CG1 4.01Å; H1055-I1058 WeakPolarHBondContact O-CB 3.28Å; H1055-I1058 PolarHBondContact O-N 3.17Å; R1056-I1058 VanDerWaalsContact C-N 3.32Å; R1056-I1058 PolarHBondContact O-N 3.48Å; I1058-W1060 VanDerWaalsContact C-N 3.3Å; I1058-W1060 PolarHBondContact O-N 3.33Å; I1058-L1061 PolarHBondContact O-N 3.05Å; I1058-W1062 PolarHBondContact O-N 2.99Å; I1058-W1062 VanDerWaalsContact O-N 3.07Å; I1058-I1101 HydrophobicContact CD1-CB 4.41Å; I1058-I1101 HydrophobicContact CD1-CD1 4.3Å; I1058-I1101 HydrophobicContact CD1-CG2 3.77Å |
| 1059 | R | 93.6 | Very high | 91.4 | Very high | 161 Ų | 161 | 54.4 Ų | 54.4 | 61% | 0.608 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.2 | -40.7 | 174.2 | -65.4 | -178.7 | 110.2 | 169.7 | 4 | 111.5 | H1055 R1056 D1063 | H1055-R1059 PolarHBondContact O-N 3.13Å; R1056-R1059 PolarHBondContact O-N 3.31Å; R1059-D1063 VanDerWaalsContact O-CB 3.24Å; R1059-D1063 WeakPolarHBondContact O-CB 3.37Å; R1059-D1063 PolarHBondContact O-N 2.96Å |
| 1060 | W | 95.7 | Very high | 91.8 | Very high | 63 Ų | 63 | 56.3 Ų | 56.3 | 24% | 0.239 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 174.4 | -63.3 | -20.6 | 0 | 0 | 0 | 112.3 | R1056 V1057 I1058 W1062 D1063 I1064 S1154 R1155 L1158 | R1056-W1060 HydrophobicContact CB-CZ2 4.38Å; R1056-W1060 HydrophobicContact CG-CH2 4.18Å; R1056-W1060 HydrophobicContact CG-CZ2 4.35Å; R1056-W1060 HydrophobicContact CG-CZ3 4.39Å; R1056-W1060 VanDerWaalsContact O-CG 3.22Å; R1056-W1060 PolarHBondContact O-N 2.82Å; V1057-W1060 HydrophobicContact CB-CE3 4.5Å; V1057-W1060 HydrophobicContact CG2-CE3 4.13Å; V1057-W1060 HydrophobicContact CG2-CZ3 4.12Å; V1057-W1060 PolarHBondContact O-N 3.06Å; I1058-W1060 VanDerWaalsContact C-N 3.3Å; I1058-W1060 PolarHBondContact O-N 3.33Å; W1060-W1062 PolarHBondContact O-N 3.06Å; W1060-D1063 PolarHBondContact O-N 2.97Å; W1060-I1064 WeakPolarHBondContact O-CB 3.25Å; W1060-I1064 WeakPolarHBondContact O-CD1 3.45Å; W1060-I1064 WeakPolarHBondContact O-CG1 3.35Å; W1060-I1064 PolarHBondContact O-N 3.38Å; W1060-S1154 VanDerWaalsContact CZ3-C 3.49Å; W1060-R1155 HydrophobicContact CB-CB 4.42Å; W1060-R1155 HydrophobicContact CB-CG 4.1Å; W1060-R1155 HydrophobicContact CD2-CB 3.93Å; W1060-R1155 HydrophobicContact CE3-CB 4.34Å; W1060-R1155 HydrophobicContact CG-CB 3.95Å; W1060-R1155 HydrophobicContact CG-CG 4.03Å; W1060-L1158 HydrophobicContact CB-CD2 3.71Å |
| 1061 | L | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.5 | -53.9 | 176.9 | 176.8 | 68.2 | 0 | 0 | 0 | 111 | V1057 I1058 D1063 I1064 L1065 F1077 I1101 L1147 L1149 L1158 L1162 | V1057-L1061 WeakPolarHBondContact O-CB 3.47Å; V1057-L1061 PolarHBondContact O-N 3.45Å; I1058-L1061 PolarHBondContact O-N 3.05Å; L1061-D1063 VanDerWaalsContact C-N 3.3Å; L1061-D1063 PolarHBondContact O-N 3.43Å; L1061-I1064 PolarHBondContact O-N 3.42Å; L1061-L1065 HydrophobicContact CD1-CD1 4.32Å; L1061-L1065 HydrophobicContact CD1-CG 4.41Å; L1061-L1065 HydrophobicContact CG-CD1 4.2Å; L1061-L1065 WeakPolarHBondContact O-CG 3.38Å; L1061-L1065 PolarHBondContact O-N 3.13Å; L1061-F1077 HydrophobicContact CD1-CE2 4.25Å; L1061-F1077 HydrophobicContact CD1-CZ 4.47Å; L1061-I1101 HydrophobicContact CD2-CD1 3.57Å; L1061-L1147 HydrophobicContact CD2-CD2 3.96Å; L1061-L1149 HydrophobicContact CD2-CD2 4.3Å; L1061-L1158 HydrophobicContact CB-CD2 4.18Å; L1061-L1162 HydrophobicContact CD1-CD2 3.51Å |
| 1062 | W | 94.9 | Very high | 92 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 1% | 0.011 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -35.2 | 179.7 | -65 | 120.2 | 0 | 0 | 0 | 112.9 | I1038 L1041 K1042 T1045 Y1047 I1058 W1060 L1065 R1066 I1101 | I1038-W1062 HydrophobicContact CG2-CE3 3.77Å; I1038-W1062 HydrophobicContact CG2-CZ3 4.17Å; L1041-W1062 HydrophobicContact CB-CZ3 4.39Å; L1041-W1062 HydrophobicContact CD2-CH2 4.26Å; L1041-W1062 HydrophobicContact CD2-CZ3 4.02Å; L1041-W1062 HydrophobicContact CG-CH2 3.91Å; L1041-W1062 HydrophobicContact CG-CZ3 4Å; K1042-W1062 HydrophobicContact CB-CD2 3.92Å; K1042-W1062 HydrophobicContact CB-CE3 3.9Å; K1042-W1062 HydrophobicContact CB-CH2 3.86Å; K1042-W1062 HydrophobicContact CB-CZ2 3.85Å; K1042-W1062 HydrophobicContact CB-CZ3 3.87Å; K1042-W1062 HydrophobicContact CD-CB 4.47Å; K1042-W1062 HydrophobicContact CD-CD2 3.94Å; K1042-W1062 HydrophobicContact CD-CG 3.86Å; K1042-W1062 HydrophobicContact CG-CD2 3.87Å; K1042-W1062 HydrophobicContact CG-CE3 4.37Å; K1042-W1062 HydrophobicContact CG-CG 4.26Å; K1042-W1062 HydrophobicContact CG-CH2 4.47Å; K1042-W1062 HydrophobicContact CG-CZ2 3.95Å; T1045-W1062 HydrophobicContact CG2-CZ2 4.07Å; T1045-W1062 WeakPolarHBondContact OG1-CH2 3.33Å; Y1047-W1062 PolarHBondContact OH-NE1 2.79Å; I1058-W1062 PolarHBondContact O-N 2.99Å; I1058-W1062 VanDerWaalsContact O-N 3.07Å; W1060-W1062 PolarHBondContact O-N 3.06Å; W1062-L1065 HydrophobicContact CE3-CD1 3.93Å; W1062-L1065 HydrophobicContact CZ3-CD1 3.98Å; W1062-R1066 WeakPolarHBondContact O-CB 3.45Å; W1062-R1066 PolarHBondContact O-N 3.39Å; W1062-R1066 VanDerWaalsContact O-N 3.1Å; W1062-I1101 HydrophobicContact CZ2-CD1 4.03Å |
| 1063 | D | 93.3 | Very high | 92.1 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 22% | 0.219 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 175.7 | -173.2 | 57.8 | 0 | 0 | 0 | 112.2 | R1059 W1060 L1061 R1066 R1067 R1155 | R1059-D1063 VanDerWaalsContact O-CB 3.24Å; R1059-D1063 WeakPolarHBondContact O-CB 3.37Å; R1059-D1063 PolarHBondContact O-N 2.96Å; W1060-D1063 PolarHBondContact O-N 2.97Å; L1061-D1063 VanDerWaalsContact C-N 3.3Å; L1061-D1063 PolarHBondContact O-N 3.43Å; D1063-R1066 PolarHBondContact O-N 3.16Å; D1063-R1067 WeakPolarHBondContact O-CB 3.28Å; D1063-R1067 PolarHBondContact O-N 3.03Å; D1063-R1067 VanDerWaalsContact OD1-CD 3.26Å; D1063-R1067 WeakPolarHBondContact OD1-CD 3.38Å; D1063-R1067 IonicContact OD1-CZ 2.68Å; D1063-R1067 IonicContact OD1-NE 3.69Å; D1063-R1067 PolarHBondContact OD1-NE 3.48Å; D1063-R1155 IonicContact OD2-CZ 3.25Å; D1063-R1155 VanDerWaalsContact OD2-CZ 3.3Å; D1063-R1155 IonicContact OD2-NE 3.42Å; D1063-R1155 PolarHBondContact OD2-NE 3.46Å; D1063-R1155 IonicContact OD2-NH2 3.36Å; D1063-R1155 PolarHBondContact OD2-NH2 2.69Å |
| 1064 | I | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -50 | 174.6 | -70.2 | 160.4 | 0 | 0 | 0 | 110.2 | W1060 L1061 R1066 R1067 D1068 F1069 R1155 L1158 K1159 | W1060-I1064 WeakPolarHBondContact O-CB 3.25Å; W1060-I1064 WeakPolarHBondContact O-CD1 3.45Å; W1060-I1064 WeakPolarHBondContact O-CG1 3.35Å; W1060-I1064 PolarHBondContact O-N 3.38Å; L1061-I1064 PolarHBondContact O-N 3.42Å; I1064-R1066 PolarHBondContact O-N 3.4Å; I1064-R1067 PolarHBondContact O-N 3.38Å; I1064-D1068 HydrophobicContact CG2-CB 4.13Å; I1064-D1068 WeakPolarHBondContact O-CA 3.41Å; I1064-D1068 WeakPolarHBondContact O-CB 3.45Å; I1064-D1068 PolarHBondContact O-N 3.08Å; I1064-F1069 HydrophobicContact CG2-CD1 3.76Å; I1064-F1069 HydrophobicContact CG2-CE1 3.5Å; I1064-F1069 HydrophobicContact CG2-CG 4.48Å; I1064-F1069 HydrophobicContact CG2-CZ 4.03Å; I1064-F1069 PolarHBondContact O-N 2.91Å; I1064-F1069 VanDerWaalsContact O-N 3.08Å; I1064-R1155 HydrophobicContact CD1-CG 4.13Å; I1064-R1155 HydrophobicContact CG1-CG 4.3Å; I1064-L1158 HydrophobicContact CD1-CB 4.18Å; I1064-L1158 HydrophobicContact CD1-CD2 3.7Å; I1064-L1158 HydrophobicContact CD1-CG 3.7Å; I1064-K1159 HydrophobicContact CD1-CB 3.82Å; I1064-K1159 HydrophobicContact CG1-CB 4.19Å; I1064-K1159 HydrophobicContact CG2-CB 4.38Å; I1064-K1159 HydrophobicContact CG2-CG 4.17Å |
| 1065 | L | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59 | -35.6 | 178.3 | -68.1 | 175.9 | 0 | 0 | 0 | 112.3 | I1038 L1061 W1062 F1069 R1074 F1077 | I1038-L1065 HydrophobicContact CD1-CB 4.35Å; I1038-L1065 HydrophobicContact CG2-CB 4.36Å; L1061-L1065 HydrophobicContact CD1-CD1 4.32Å; L1061-L1065 HydrophobicContact CD1-CG 4.41Å; L1061-L1065 HydrophobicContact CG-CD1 4.2Å; L1061-L1065 WeakPolarHBondContact O-CG 3.38Å; L1061-L1065 PolarHBondContact O-N 3.13Å; W1062-L1065 HydrophobicContact CE3-CD1 3.93Å; W1062-L1065 HydrophobicContact CZ3-CD1 3.98Å; L1065-F1069 HydrophobicContact CD2-CD2 3.53Å; L1065-F1069 HydrophobicContact CD2-CE2 3.81Å; L1065-F1069 HydrophobicContact CD2-CG 4.35Å; L1065-R1074 PolarHBondContact O-NE 2.93Å; L1065-R1074 PolarHBondContact O-NH2 3.32Å; L1065-F1077 HydrophobicContact CD1-CD1 4.03Å; L1065-F1077 HydrophobicContact CD1-CE1 3.59Å; L1065-F1077 HydrophobicContact CD1-CZ 3.87Å; L1065-F1077 HydrophobicContact CD2-CB 4.14Å; L1065-F1077 HydrophobicContact CD2-CD1 3.69Å; L1065-F1077 HydrophobicContact CD2-CD2 4.06Å; L1065-F1077 HydrophobicContact CD2-CE1 4.08Å; L1065-F1077 HydrophobicContact CD2-CE2 4.41Å; L1065-F1077 HydrophobicContact CD2-CG 3.67Å; L1065-F1077 HydrophobicContact CD2-CZ 4.41Å; L1065-F1077 HydrophobicContact CG-CE1 4.5Å |
| 1066 | R | 92.2 | Very high | 91.9 | Very high | 97 Ų | 97 | 55.2 Ų | 55.2 | 37% | 0.366 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -80 | -44.6 | -178.9 | -166.5 | -178.5 | -66.4 | 112.9 | -5 | 113.1 | D1039 W1062 D1063 I1064 R1074 | D1039-R1066 IonicContact OD1-CZ 2.72Å; D1039-R1066 IonicContact OD1-NE 3.63Å; D1039-R1066 IonicContact OD1-NH2 3.74Å; D1039-R1066 PolarHBondContact OD1-NH2 2.84Å; W1062-R1066 WeakPolarHBondContact O-CB 3.45Å; W1062-R1066 PolarHBondContact O-N 3.39Å; W1062-R1066 VanDerWaalsContact O-N 3.1Å; D1063-R1066 PolarHBondContact O-N 3.16Å; I1064-R1066 PolarHBondContact O-N 3.4Å; R1066-R1074 PolarHBondContact O-NH2 2.94Å |
| 1067 | R | 92.3 | Very high | 91.8 | Very high | 196 Ų | 196 | 49.2 Ų | 49.2 | 74% | 0.74 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -103.7 | -29.7 | -169.1 | -62.5 | -172.4 | 178.7 | -158 | -3 | 114.7 | D1063 I1064 | D1063-R1067 WeakPolarHBondContact O-CB 3.28Å; D1063-R1067 PolarHBondContact O-N 3.03Å; D1063-R1067 VanDerWaalsContact OD1-CD 3.26Å; D1063-R1067 WeakPolarHBondContact OD1-CD 3.38Å; D1063-R1067 IonicContact OD1-CZ 2.68Å; D1063-R1067 IonicContact OD1-NE 3.69Å; D1063-R1067 PolarHBondContact OD1-NE 3.48Å; I1064-R1067 PolarHBondContact O-N 3.38Å |
| 1068 | D | 92.6 | Very high | 91.7 | Very high | 42 Ų | 42 | 49.3 Ų | 49.3 | 23% | 0.225 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -27.4 | -171 | -69.5 | -67.3 | 0 | 0 | 0 | 114.1 | I1064 R1155 K1159 R1163 | I1064-D1068 HydrophobicContact CG2-CB 4.13Å; I1064-D1068 WeakPolarHBondContact O-CA 3.41Å; I1064-D1068 WeakPolarHBondContact O-CB 3.45Å; I1064-D1068 PolarHBondContact O-N 3.08Å; D1068-R1155 IonicContact OD2-CZ 4Å; D1068-R1155 IonicContact OD2-NH1 3.39Å; D1068-R1155 PolarHBondContact OD2-NH1 2.84Å; D1068-R1155 IonicContact OD2-NH2 2.9Å; D1068-R1155 PolarHBondContact OD2-NH2 3.02Å; D1068-K1159 HydrophobicContact CB-CD 4.13Å; D1068-K1159 VanDerWaalsContact CG-NZ 3.32Å; D1068-K1159 IonicContact OD1-NZ 2.71Å; D1068-K1159 PolarHBondContact OD1-NZ 3.4Å; D1068-R1163 PolarHBondContact O-NH2 3.48Å; D1068-R1163 VanDerWaalsContact O-NH2 3.14Å |
| 1069 | F | 93 | Very high | 91.3 | Very high | 5 Ų | 5 | 52 Ų | 52 | 2% | 0.022 | 23% | 0.226 | C | C | . | . | trans | -93.7 | 130.6 | -179.6 | -77.5 | 18.1 | 0 | 0 | 0 | 110.6 | I1064 L1065 E1073 R1074 F1077 L1162 R1163 I1166 | I1064-F1069 HydrophobicContact CG2-CD1 3.76Å; I1064-F1069 HydrophobicContact CG2-CE1 3.5Å; I1064-F1069 HydrophobicContact CG2-CG 4.48Å; I1064-F1069 HydrophobicContact CG2-CZ 4.03Å; I1064-F1069 PolarHBondContact O-N 2.91Å; I1064-F1069 VanDerWaalsContact O-N 3.08Å; L1065-F1069 HydrophobicContact CD2-CD2 3.53Å; L1065-F1069 HydrophobicContact CD2-CE2 3.81Å; L1065-F1069 HydrophobicContact CD2-CG 4.35Å; F1069-E1073 WeakPolarHBondContact CA-OE2 3.25Å; F1069-E1073 HydrophobicContact CB-CB 3.77Å; F1069-E1073 HydrophobicContact CD1-CB 4.4Å; F1069-E1073 HydrophobicContact CD2-CB 3.81Å; F1069-E1073 HydrophobicContact CG-CB 3.75Å; F1069-R1074 HydrophobicContact CB-CG 4.1Å; F1069-R1074 PolarHBondContact O-NE 3.13Å; F1069-R1074 PolarHBondContact O-NH2 3.02Å; F1069-F1077 HydrophobicContact CE2-CB 4.35Å; F1069-L1162 HydrophobicContact CE2-CD2 3.97Å; F1069-L1162 HydrophobicContact CE2-CG 4.27Å; F1069-L1162 HydrophobicContact CZ-CB 4.46Å; F1069-L1162 HydrophobicContact CZ-CD2 3.82Å; F1069-L1162 HydrophobicContact CZ-CG 3.98Å; F1069-R1163 HydrophobicContact CE1-CB 4.46Å; F1069-R1163 HydrophobicContact CZ-CB 4.46Å; F1069-I1166 HydrophobicContact CD2-CD1 4.21Å; F1069-I1166 HydrophobicContact CE2-CD1 3.46Å; F1069-I1166 VanDerWaalsContact CE2-CD1 3.46Å; F1069-I1166 HydrophobicContact CZ-CD1 3.78Å | ||
| 1070 | D | 90.8 | Very high | 91 | Very high | 80 Ų | 80 | 46.7 Ų | 46.7 | 43% | 0.428 | 21% | 0.207 | S | C | . | . | trans | -75.3 | 174.5 | 167.9 | 67.7 | 21.4 | 0 | 0 | 0 | 111.2 | R1072 E1073 R1074 | D1070-R1072 PolarHBondContact O-N 3.1Å; D1070-R1072 WeakPolarHBondContact OD1-CA 3.46Å; D1070-R1072 WeakPolarHBondContact OD1-CB 3.4Å; D1070-R1072 PolarHBondContact OD1-N 3.38Å; D1070-R1072 VanDerWaalsContact OD1-N 3.1Å; D1070-E1073 PolarHBondContact O-N 3.02Å; D1070-E1073 WeakPolarHBondContact OD1-CB 3.27Å; D1070-E1073 WeakPolarHBondContact OD1-CG 3.48Å; D1070-E1073 PolarHBondContact OD1-N 3.32Å; D1070-R1074 WeakPolarHBondContact O-CB 3.25Å; D1070-R1074 VanDerWaalsContact O-CG 3.27Å; D1070-R1074 WeakPolarHBondContact O-CG 3.06Å; D1070-R1074 PolarHBondContact O-N 3.38Å | ||
| 1071 | D | 86.4 | Confident | 90.6 | Very high | 87 Ų | 87 | 43.7 Ų | 43.7 | 47% | 0.465 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.1 | -29.8 | -178 | -67.7 | -32.4 | 0 | 0 | 0 | 112.8 | R1074 S1075 | D1071-R1074 IonicContact OD1-CZ 3.57Å; D1071-R1074 IonicContact OD1-NH1 2.63Å; D1071-R1074 PolarHBondContact OD1-NH1 2.96Å; D1071-S1075 WeakPolarHBondContact O-CB 3.35Å; D1071-S1075 PolarHBondContact O-N 2.78Å; D1071-S1075 PolarHBondContact O-OG 2.96Å |
| 1072 | R | 87.9 | Confident | 90 | Very high | 139 Ų | 139 | 43.8 Ų | 43.8 | 53% | 0.525 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.3 | -46.9 | 175 | -174.9 | -170.4 | 67.2 | 88.6 | 6.6 | 110.8 | D1070 R1074 S1075 L1076 | D1070-R1072 PolarHBondContact O-N 3.1Å; D1070-R1072 WeakPolarHBondContact OD1-CA 3.46Å; D1070-R1072 WeakPolarHBondContact OD1-CB 3.4Å; D1070-R1072 PolarHBondContact OD1-N 3.38Å; D1070-R1072 VanDerWaalsContact OD1-N 3.1Å; R1072-R1074 VanDerWaalsContact C-N 3.31Å; R1072-R1074 PolarHBondContact O-N 3.38Å; R1072-S1075 PolarHBondContact O-N 3.43Å; R1072-L1076 HydrophobicContact CG-CD1 4.47Å; R1072-L1076 WeakPolarHBondContact O-CG 3.07Å; R1072-L1076 PolarHBondContact O-N 3.43Å |
| 1073 | E | 90.7 | Very high | 89.2 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.2 | -35.1 | 176.9 | -70.7 | -168.2 | 120.6 | 0 | 0 | 111.7 | F1069 D1070 L1076 F1077 R1163 I1166 | F1069-E1073 WeakPolarHBondContact CA-OE2 3.25Å; F1069-E1073 HydrophobicContact CB-CB 3.77Å; F1069-E1073 HydrophobicContact CD1-CB 4.4Å; F1069-E1073 HydrophobicContact CD2-CB 3.81Å; F1069-E1073 HydrophobicContact CG-CB 3.75Å; D1070-E1073 PolarHBondContact O-N 3.02Å; D1070-E1073 WeakPolarHBondContact OD1-CB 3.27Å; D1070-E1073 WeakPolarHBondContact OD1-CG 3.48Å; D1070-E1073 PolarHBondContact OD1-N 3.32Å; E1073-L1076 PolarHBondContact O-N 3.41Å; E1073-F1077 WeakPolarHBondContact O-CB 3.48Å; E1073-F1077 PolarHBondContact O-N 2.92Å; E1073-R1163 WeakPolarHBondContact OE1-CD 3.43Å; E1073-R1163 WeakPolarHBondContact OE1-CG 3.32Å; E1073-R1163 IonicContact OE1-CZ 2.64Å; E1073-R1163 IonicContact OE1-NE 3.33Å; E1073-R1163 PolarHBondContact OE1-NE 2.77Å; E1073-R1163 IonicContact OE1-NH2 3.64Å; E1073-R1163 PolarHBondContact OE1-NH2 2.8Å; E1073-R1163 IonicContact OE2-CZ 3.13Å; E1073-R1163 IonicContact OE2-NE 2.84Å; E1073-R1163 IonicContact OE2-NH2 2.81Å; E1073-R1163 PolarHBondContact OE2-NH2 2.83Å; E1073-I1166 HydrophobicContact CB-CD1 4.35Å |
| 1074 | R | 90.6 | Very high | 88.5 | Confident | 42 Ų | 42 | 42.6 Ų | 42.6 | 16% | 0.158 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.7 | -46 | 172.1 | -75.4 | 170.8 | -172 | 163.8 | 1.2 | 112.1 | M1036 I1038 L1065 R1066 F1069 D1070 D1071 R1072 L1076 F1077 L1078 | M1036-R1074 HydrophobicContact CE-CB 3.61Å; M1036-R1074 HydrophobicContact CE-CG 3.98Å; I1038-R1074 HydrophobicContact CD1-CG 4.25Å; L1065-R1074 PolarHBondContact O-NE 2.93Å; L1065-R1074 PolarHBondContact O-NH2 3.32Å; R1066-R1074 PolarHBondContact O-NH2 2.94Å; F1069-R1074 HydrophobicContact CB-CG 4.1Å; F1069-R1074 PolarHBondContact O-NE 3.13Å; F1069-R1074 PolarHBondContact O-NH2 3.02Å; D1070-R1074 WeakPolarHBondContact O-CB 3.25Å; D1070-R1074 VanDerWaalsContact O-CG 3.27Å; D1070-R1074 WeakPolarHBondContact O-CG 3.06Å; D1070-R1074 PolarHBondContact O-N 3.38Å; D1071-R1074 IonicContact OD1-CZ 3.57Å; D1071-R1074 IonicContact OD1-NH1 2.63Å; D1071-R1074 PolarHBondContact OD1-NH1 2.96Å; R1072-R1074 VanDerWaalsContact C-N 3.31Å; R1072-R1074 PolarHBondContact O-N 3.38Å; R1074-L1076 VanDerWaalsContact C-N 3.35Å; R1074-F1077 WeakPolarHBondContact O-CB 3.39Å; R1074-F1077 PolarHBondContact O-N 2.98Å; R1074-L1078 PolarHBondContact O-N 3.29Å |
| 1075 | S | 85.5 | Confident | 87.7 | Confident | 41 Ų | 41 | 43.4 Ų | 43.4 | 29% | 0.287 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 173.7 | -80.3 | 0 | 0 | 0 | 0 | 112.4 | D1071 R1072 L1078 K1079 S1085 | D1071-S1075 WeakPolarHBondContact O-CB 3.35Å; D1071-S1075 PolarHBondContact O-N 2.78Å; D1071-S1075 PolarHBondContact O-OG 2.96Å; R1072-S1075 PolarHBondContact O-N 3.43Å; S1075-L1078 PolarHBondContact O-N 2.92Å; S1075-K1079 VanDerWaalsContact O-CB 3.32Å; S1075-K1079 WeakPolarHBondContact O-CB 3.26Å; S1075-K1079 PolarHBondContact O-N 3.41Å; S1075-S1085 VanDerWaalsContact CB-O 3.27Å; S1075-S1085 WeakPolarHBondContact CB-O 3.19Å; S1075-S1085 PolarHBondContact OG-O 2.9Å |
| 1076 | L | 88.4 | Confident | 86.9 | Confident | 25 Ų | 25 | 46.4 Ų | 46.4 | 13% | 0.131 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.8 | -40.2 | 174.3 | -73.6 | 173.1 | 0 | 0 | 0 | 112 | R1072 E1073 R1074 K1079 F1080 I1166 | R1072-L1076 HydrophobicContact CG-CD1 4.47Å; R1072-L1076 WeakPolarHBondContact O-CG 3.07Å; R1072-L1076 PolarHBondContact O-N 3.43Å; E1073-L1076 PolarHBondContact O-N 3.41Å; R1074-L1076 VanDerWaalsContact C-N 3.35Å; L1076-K1079 PolarHBondContact O-N 3.39Å; L1076-F1080 VanDerWaalsContact O-CB 3.26Å; L1076-F1080 WeakPolarHBondContact O-CB 3.33Å; L1076-F1080 PolarHBondContact O-N 3.46Å; L1076-I1166 HydrophobicContact CB-CB 4.23Å; L1076-I1166 HydrophobicContact CB-CD1 4.43Å; L1076-I1166 HydrophobicContact CB-CG1 4.43Å |
| 1077 | F | 91.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -45.6 | 173.5 | 170.4 | -100.1 | 0 | 0 | 0 | 111.7 | M1036 L1041 L1061 L1065 F1069 E1073 R1074 K1079 F1080 V1081 F1099 L1147 L1162 I1166 | M1036-F1077 HydrophobicContact CE-CD1 4.31Å; L1041-F1077 HydrophobicContact CD2-CE1 4.31Å; L1061-F1077 HydrophobicContact CD1-CE2 4.25Å; L1061-F1077 HydrophobicContact CD1-CZ 4.47Å; L1065-F1077 HydrophobicContact CD1-CD1 4.03Å; L1065-F1077 HydrophobicContact CD1-CE1 3.59Å; L1065-F1077 HydrophobicContact CD1-CZ 3.87Å; L1065-F1077 HydrophobicContact CD2-CB 4.14Å; L1065-F1077 HydrophobicContact CD2-CD1 3.69Å; L1065-F1077 HydrophobicContact CD2-CD2 4.06Å; L1065-F1077 HydrophobicContact CD2-CE1 4.08Å; L1065-F1077 HydrophobicContact CD2-CE2 4.41Å; L1065-F1077 HydrophobicContact CD2-CG 3.67Å; L1065-F1077 HydrophobicContact CD2-CZ 4.41Å; L1065-F1077 HydrophobicContact CG-CE1 4.5Å; F1069-F1077 HydrophobicContact CE2-CB 4.35Å; E1073-F1077 WeakPolarHBondContact O-CB 3.48Å; E1073-F1077 PolarHBondContact O-N 2.92Å; R1074-F1077 WeakPolarHBondContact O-CB 3.39Å; R1074-F1077 PolarHBondContact O-N 2.98Å; F1077-K1079 VanDerWaalsContact C-N 3.34Å; F1077-K1079 PolarHBondContact O-N 2.69Å; F1077-F1080 WeakPolarHBondContact O-CB 3.48Å; F1077-F1080 PolarHBondContact O-N 2.96Å; F1077-V1081 HydrophobicContact CE2-CG2 4.12Å; F1077-V1081 HydrophobicContact CZ-CG2 4.23Å; F1077-V1081 PolarHBondContact O-N 2.69Å; F1077-F1099 AromaticContact CE1-CZ 3.98Å; F1077-F1099 HydrophobicContact CE1-CZ 3.98Å; F1077-F1099 AromaticContact CZ-CZ 3.91Å; F1077-F1099 HydrophobicContact CZ-CZ 3.91Å; F1077-L1147 HydrophobicContact CE2-CD2 3.89Å; F1077-L1147 HydrophobicContact CZ-CD2 4.03Å; F1077-L1162 HydrophobicContact CD2-CD1 4.05Å; F1077-L1162 HydrophobicContact CD2-CD2 4.25Å; F1077-L1162 HydrophobicContact CD2-CG 4.47Å; F1077-L1162 HydrophobicContact CE2-CD1 4.13Å; F1077-L1162 HydrophobicContact CE2-CD2 4.33Å; F1077-I1166 HydrophobicContact CB-CG2 4.27Å; F1077-I1166 HydrophobicContact CD2-CG2 4.38Å |
| 1078 | L | 88.5 | Confident | 85.5 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 177.3 | -175.6 | 62.9 | 0 | 0 | 0 | 111 | M1036 R1074 S1075 F1080 V1081 T1082 C1084 R1086 F1092 | M1036-L1078 HydrophobicContact SD-CB 3.82Å; M1036-L1078 HydrophobicContact SD-CD1 4.4Å; M1036-L1078 HydrophobicContact SD-CD2 3.99Å; M1036-L1078 HydrophobicContact SD-CG 4.27Å; R1074-L1078 PolarHBondContact O-N 3.29Å; S1075-L1078 PolarHBondContact O-N 2.92Å; L1078-F1080 VanDerWaalsContact C-N 3.32Å; L1078-F1080 PolarHBondContact O-N 3.5Å; L1078-V1081 PolarHBondContact O-N 2.81Å; L1078-T1082 HydrophobicContact CD1-CG2 3.67Å; L1078-T1082 WeakPolarHBondContact O-CB 3.37Å; L1078-T1082 PolarHBondContact O-N 3.04Å; L1078-T1082 PolarHBondContact O-OG1 3.33Å; L1078-C1084 CarbonylContact C-O 3.55Å; L1078-C1084 VanDerWaalsContact C-O 3.29Å; L1078-C1084 WeakPolarHBondContact CG-O 3.49Å; L1078-R1086 WeakPolarHBondContact CD2-O 3.09Å; L1078-F1092 HydrophobicContact CD1-CE1 3.76Å; L1078-F1092 HydrophobicContact CD1-CZ 4.22Å; L1078-F1092 HydrophobicContact CD2-CE1 4.25Å; L1078-F1092 HydrophobicContact CD2-CZ 4.24Å |
| 1079 | K | 84.9 | Confident | 84.5 | Confident | 58 Ų | 58 | 33.4 Ų | 33.4 | 25% | 0.252 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 176 | -172.5 | 176.6 | -179.4 | -176.7 | 0 | 111.6 | S1075 L1076 F1077 V1081 S1083 C1084 | S1075-K1079 VanDerWaalsContact O-CB 3.32Å; S1075-K1079 WeakPolarHBondContact O-CB 3.26Å; S1075-K1079 PolarHBondContact O-N 3.41Å; L1076-K1079 PolarHBondContact O-N 3.39Å; F1077-K1079 VanDerWaalsContact C-N 3.34Å; F1077-K1079 PolarHBondContact O-N 2.69Å; K1079-V1081 VanDerWaalsContact C-N 3.26Å; K1079-V1081 PolarHBondContact O-N 3.47Å; K1079-S1083 WeakPolarHBondContact O-CA 3.23Å; K1079-S1083 PolarHBondContact O-N 3.27Å; K1079-C1084 WeakPolarHBondContact CA-O 3.39Å; K1079-C1084 PolarHBondContact N-O 2.94Å |
| 1080 | F | 87.6 | Confident | 83.7 | Confident | 48 Ų | 48 | 35.6 Ų | 35.6 | 21% | 0.211 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.6 | -38.2 | 177.8 | 177.7 | -103.3 | 0 | 0 | 0 | 112 | L1076 F1077 L1078 P1138 A1140 L1147 A1165 I1166 | L1076-F1080 VanDerWaalsContact O-CB 3.26Å; L1076-F1080 WeakPolarHBondContact O-CB 3.33Å; L1076-F1080 PolarHBondContact O-N 3.46Å; F1077-F1080 WeakPolarHBondContact O-CB 3.48Å; F1077-F1080 PolarHBondContact O-N 2.96Å; L1078-F1080 VanDerWaalsContact C-N 3.32Å; L1078-F1080 PolarHBondContact O-N 3.5Å; F1080-P1138 WeakPolarHBondContact CZ-O 3.38Å; F1080-A1140 HydrophobicContact CD1-CB 4.12Å; F1080-A1140 HydrophobicContact CE1-CB 3.86Å; F1080-A1140 HydrophobicContact CZ-CB 4.17Å; F1080-A1140 WeakPolarHBondContact O-CB 3.33Å; F1080-L1147 HydrophobicContact CD1-CD1 4.29Å; F1080-L1147 HydrophobicContact CE1-CD1 3.87Å; F1080-A1165 HydrophobicContact CE2-CB 4.14Å; F1080-A1165 HydrophobicContact CZ-CB 4.02Å; F1080-I1166 HydrophobicContact CB-CB 4.49Å; F1080-I1166 HydrophobicContact CB-CG2 3.93Å; F1080-I1166 HydrophobicContact CD1-CG2 4.26Å; F1080-I1166 HydrophobicContact CG-CG2 4.03Å |
| 1081 | V | 87.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -92.6 | -27.9 | -177.2 | -174.5 | 0 | 0 | 0 | 0 | 113.8 | F1077 L1078 K1079 F1099 T1142 N1145 L1147 | F1077-V1081 HydrophobicContact CE2-CG2 4.12Å; F1077-V1081 HydrophobicContact CZ-CG2 4.23Å; F1077-V1081 PolarHBondContact O-N 2.69Å; L1078-V1081 PolarHBondContact O-N 2.81Å; K1079-V1081 VanDerWaalsContact C-N 3.26Å; K1079-V1081 PolarHBondContact O-N 3.47Å; V1081-F1099 HydrophobicContact CB-CE2 3.61Å; V1081-F1099 HydrophobicContact CB-CZ 4.06Å; V1081-F1099 HydrophobicContact CG1-CD2 3.94Å; V1081-F1099 HydrophobicContact CG1-CE2 3.24Å; V1081-F1099 HydrophobicContact CG1-CZ 3.66Å; V1081-F1099 HydrophobicContact CG2-CE2 4.16Å; V1081-F1099 HydrophobicContact CG2-CZ 4.1Å; V1081-T1142 WeakPolarHBondContact O-CA 3.37Å; V1081-N1145 WeakPolarHBondContact O-CA 3.3Å; V1081-L1147 HydrophobicContact CG1-CB 4.05Å; V1081-L1147 HydrophobicContact CG2-CB 3.97Å; V1081-L1147 HydrophobicContact CG2-CD1 3.9Å; V1081-L1147 HydrophobicContact CG2-CG 4.37Å |
| 1082 | T | 82.1 | Confident | 83.2 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -124.3 | -2.9 | -168.3 | 71 | 0 | 0 | 0 | 0 | 114.8 | L1078 C1084 L1095 F1099 N1145 | L1078-T1082 HydrophobicContact CD1-CG2 3.67Å; L1078-T1082 WeakPolarHBondContact O-CB 3.37Å; L1078-T1082 PolarHBondContact O-N 3.04Å; L1078-T1082 PolarHBondContact O-OG1 3.33Å; T1082-C1084 PolarHBondContact O-N 2.86Å; T1082-C1084 PolarHBondContact OG1-N 3.28Å; T1082-C1084 PolarHBondContact OG1-O 3.34Å; T1082-L1095 HydrophobicContact CG2-CD2 4.11Å; T1082-F1099 HydrophobicContact CG2-CD2 3.95Å; T1082-F1099 HydrophobicContact CG2-CE2 4.1Å; T1082-N1145 VanDerWaalsContact CA-OD1 3.26Å; T1082-N1145 WeakPolarHBondContact CA-OD1 3.43Å; T1082-N1145 VanDerWaalsContact CB-OD1 3.24Å; T1082-N1145 WeakPolarHBondContact CB-OD1 3.44Å; T1082-N1145 HydrophobicContact CG2-CB 4.18Å; T1082-N1145 WeakPolarHBondContact CG2-OD1 3.31Å |
| 1083 | S | 78.7 | Confident | 82.9 | Confident | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 63.2 | -7.8 | -166 | -57.5 | 0 | 0 | 0 | 0 | 115.3 | G835 K1079 T1142 | G835-S1083 PolarHBondContact O-OG 3.5Å; K1079-S1083 WeakPolarHBondContact O-CA 3.23Å; K1079-S1083 PolarHBondContact O-N 3.27Å; S1083-T1142 VanDerWaalsContact OG-CB 3.22Å; S1083-T1142 WeakPolarHBondContact OG-CB 3.37Å; S1083-T1142 WeakPolarHBondContact OG-CG2 3.35Å; S1083-T1142 PolarHBondContact OG-OG1 2.89Å |
| 1084 | C | 78.6 | Confident | 82.4 | Confident | 17 Ų | 17 | 28 Ų | 28 | 12% | 0.115 | 16% | 0.158 | C | C | . | . | trans | -99.1 | 131 | 179 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | E842 L1078 K1079 T1082 R1086 | E842-C1084 WeakPolarHBondContact OE2-CA 3.43Å; L1078-C1084 CarbonylContact C-O 3.55Å; L1078-C1084 VanDerWaalsContact C-O 3.29Å; L1078-C1084 WeakPolarHBondContact CG-O 3.49Å; K1079-C1084 WeakPolarHBondContact CA-O 3.39Å; K1079-C1084 PolarHBondContact N-O 2.94Å; T1082-C1084 PolarHBondContact O-N 2.86Å; T1082-C1084 PolarHBondContact OG1-N 3.28Å; T1082-C1084 PolarHBondContact OG1-O 3.34Å; C1084-R1086 VanDerWaalsContact C-N 3.31Å; C1084-R1086 PolarHBondContact O-N 3.39Å | ||
| 1085 | S | 77.6 | Confident | 81.9 | Confident | 16 Ų | 16 | 27 Ų | 27 | 11% | 0.112 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -78.4 | -11.6 | 175.3 | 46.1 | 0 | 0 | 0 | 0 | 114.8 | E842 S1075 | E842-S1085 WeakPolarHBondContact OE1-CB 3.35Å; E842-S1085 PolarHBondContact OE1-OG 3.09Å; E842-S1085 PolarHBondContact OE2-N 2.9Å; S1075-S1085 VanDerWaalsContact CB-O 3.27Å; S1075-S1085 WeakPolarHBondContact CB-O 3.19Å; S1075-S1085 PolarHBondContact OG-O 2.9Å |
| 1086 | R | 78.6 | Confident | 81.2 | Confident | 64 Ų | 64 | 30.9 Ų | 30.9 | 24% | 0.242 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -128.5 | 151.9 | -178.3 | -79.2 | -165 | 174.7 | 130.4 | 14 | 113.1 | V896 D898 S1030 L1078 C1084 | V896-R1086 HydrophobicContact CG1-CB 3.94Å; D898-R1086 VanDerWaalsContact CG-CZ 3.42Å; D898-R1086 IonicContact OD1-CZ 3.54Å; D898-R1086 IonicContact OD1-NH1 3.8Å; D898-R1086 PolarHBondContact OD1-NH1 3.47Å; D898-R1086 IonicContact OD1-NH2 3.92Å; D898-R1086 PolarHBondContact OD1-NH2 3Å; D898-R1086 IonicContact OD2-CZ 3.73Å; D898-R1086 IonicContact OD2-NH2 2.8Å; D898-R1086 PolarHBondContact OD2-NH2 3.29Å; S1030-R1086 WeakPolarHBondContact O-CD 3.31Å; S1030-R1086 PolarHBondContact O-NH1 3.1Å; L1078-R1086 WeakPolarHBondContact CD2-O 3.09Å; C1084-R1086 VanDerWaalsContact C-N 3.31Å; C1084-R1086 PolarHBondContact O-N 3.39Å |
| 1087 | P | 78.3 | Confident | 80.8 | Confident | 21 Ų | 21 | 30.4 Ų | 30.4 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 152 | 176 | 27.9 | -35.2 | 0 | 0 | 0 | 111.5 | F1092 | P1087-F1092 HydrophobicContact CB-CE1 4.16Å; P1087-F1092 HydrophobicContact CB-CE2 3.96Å; P1087-F1092 HydrophobicContact CB-CZ 3.64Å |
| 1088 | P | 74.9 | Confident | 80.4 | Confident | 26 Ų | 26 | 32.3 Ų | 32.3 | 17% | 0.169 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 143.3 | 174.2 | 27.3 | -34 | 0 | 0 | 0 | 111 | L1090 G1091 F1092 L1095 | P1088-L1090 PolarHBondContact O-N 3.23Å; P1088-G1091 WeakPolarHBondContact CG-O 3.45Å; P1088-G1091 PolarHBondContact O-N 3.35Å; P1088-F1092 HydrophobicContact CG-CD1 4.1Å; P1088-L1095 HydrophobicContact CG-CB 4.17Å; P1088-L1095 HydrophobicContact CG-CD1 4.28Å |
| 1089 | L | 72.7 | Confident | 80.5 | Confident | 14 Ų | 14 | 32.4 Ų | 32.4 | 7% | 0.073 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 132.7 | 175.6 | -172.2 | 63.8 | 0 | 0 | 0 | 110 | V758 R762 T1027 L1028 | V758-L1089 HydrophobicContact CB-CD2 4.41Å; V758-L1089 HydrophobicContact CG1-CD2 3.66Å; V758-L1089 HydrophobicContact CG1-CG 4.24Å; V758-L1089 HydrophobicContact CG2-CD2 3.82Å; R762-L1089 PolarHBondContact NH1-O 2.94Å; R762-L1089 PolarHBondContact NH2-O 2.82Å; T1027-L1089 HydrophobicContact CG2-CD1 3.68Å; L1028-L1089 HydrophobicContact CD1-CD2 4Å |
| 1090 | L | 76.4 | Confident | 80.8 | Confident | 51 Ų | 51 | 30.8 Ų | 30.8 | 27% | 0.267 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 13.2 | -173.3 | -45.9 | 177.9 | 0 | 0 | 0 | 116.3 | K755 V758 I759 P1088 N1094 | K755-L1090 HydrophobicContact CB-CD2 3.91Å; K755-L1090 HydrophobicContact CD-CD2 4.28Å; K755-L1090 HydrophobicContact CG-CD1 3.98Å; K755-L1090 HydrophobicContact CG-CD2 3.72Å; K755-L1090 HydrophobicContact CG-CG 4.41Å; V758-L1090 HydrophobicContact CB-CD1 4.16Å; V758-L1090 HydrophobicContact CG1-CD1 3.83Å; V758-L1090 HydrophobicContact CG1-CG 4.18Å; I759-L1090 HydrophobicContact CD1-CD1 4.35Å; I759-L1090 HydrophobicContact CG1-CD1 3.84Å; P1088-L1090 PolarHBondContact O-N 3.23Å; L1090-N1094 WeakPolarHBondContact CB-ND2 3.38Å; L1090-N1094 PolarHBondContact O-ND2 3.34Å |
| 1091 | G | 80.4 | Confident | 81.1 | Confident | 17 Ų | 17 | 28.5 Ų | 28.5 | 18% | 0.175 | 17% | 0.166 | C | C | . | . | trans | 94 | 166.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1040 P1088 A1093 N1094 | D1040-G1091 VanDerWaalsContact OD2-CA 3.27Å; D1040-G1091 WeakPolarHBondContact OD2-CA 3.45Å; P1088-G1091 WeakPolarHBondContact CG-O 3.45Å; P1088-G1091 PolarHBondContact O-N 3.35Å; G1091-A1093 PolarHBondContact O-N 3.49Å; G1091-A1093 VanDerWaalsContact O-N 3.12Å; G1091-N1094 PolarHBondContact O-N 3.24Å; G1091-N1094 PolarHBondContact O-ND2 2.76Å | ||
| 1092 | F | 85.9 | Confident | 81.2 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -66.4 | -13.4 | -170.6 | -72.2 | -74.5 | 0 | 0 | 0 | 114.5 | M1036 D1040 L1041 H1044 L1078 P1087 P1088 N1094 L1095 | M1036-F1092 HydrophobicContact CG-CE2 4.09Å; M1036-F1092 HydrophobicContact CG-CZ 3.87Å; M1036-F1092 HydrophobicContact SD-CZ 4.16Å; D1040-F1092 HydrophobicContact CB-CD2 4.26Å; D1040-F1092 WeakPolarHBondContact OD2-CD2 3.28Å; D1040-F1092 PolarHBondContact OD2-N 3.33Å; L1041-F1092 VanDerWaalsContact CA-CD2 3.48Å; L1041-F1092 HydrophobicContact CB-CD2 3.61Å; L1041-F1092 HydrophobicContact CB-CE2 3.59Å; L1041-F1092 HydrophobicContact CB-CG 4.11Å; L1041-F1092 HydrophobicContact CB-CZ 4.08Å; L1041-F1092 HydrophobicContact CD1-CD1 3.59Å; L1041-F1092 HydrophobicContact CD1-CD2 4.19Å; L1041-F1092 HydrophobicContact CD1-CE1 3.7Å; L1041-F1092 HydrophobicContact CD1-CE2 4.27Å; L1041-F1092 HydrophobicContact CD1-CG 3.84Å; L1041-F1092 HydrophobicContact CD1-CZ 4.01Å; L1041-F1092 HydrophobicContact CD2-CZ 4.37Å; L1041-F1092 HydrophobicContact CG-CD2 4.46Å; L1041-F1092 HydrophobicContact CG-CE2 4.35Å; L1041-F1092 HydrophobicContact CG-CZ 4.36Å; H1044-F1092 HydrophobicContact CB-CB 4.18Å; L1078-F1092 HydrophobicContact CD1-CE1 3.76Å; L1078-F1092 HydrophobicContact CD1-CZ 4.22Å; L1078-F1092 HydrophobicContact CD2-CE1 4.25Å; L1078-F1092 HydrophobicContact CD2-CZ 4.24Å; P1087-F1092 HydrophobicContact CB-CE1 4.16Å; P1087-F1092 HydrophobicContact CB-CE2 3.96Å; P1087-F1092 HydrophobicContact CB-CZ 3.64Å; P1088-F1092 HydrophobicContact CG-CD1 4.1Å; F1092-N1094 PolarHBondContact O-N 3.35Å; F1092-L1095 HydrophobicContact CD1-CD2 4.38Å; F1092-L1095 VanDerWaalsContact O-CB 3.32Å; F1092-L1095 WeakPolarHBondContact O-CB 3.25Å; F1092-L1095 PolarHBondContact O-N 2.91Å |
| 1093 | A | 81.9 | Confident | 81.3 | Confident | 65 Ų | 65 | 32.3 Ų | 32.3 | 54% | 0.537 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -56 | -27.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1091 | G1091-A1093 PolarHBondContact O-N 3.49Å; G1091-A1093 VanDerWaalsContact O-N 3.12Å |
| 1094 | N | 79.7 | Confident | 81.4 | Confident | 70 Ų | 70 | 33.4 Ų | 33.4 | 37% | 0.374 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -95.9 | 7 | 179.2 | -56.5 | -78.5 | 0 | 0 | 0 | 113.1 | L1090 G1091 F1092 E1096 | L1090-N1094 WeakPolarHBondContact CB-ND2 3.38Å; L1090-N1094 PolarHBondContact O-ND2 3.34Å; G1091-N1094 PolarHBondContact O-N 3.24Å; G1091-N1094 PolarHBondContact O-ND2 2.76Å; F1092-N1094 PolarHBondContact O-N 3.35Å; N1094-E1096 PolarHBondContact O-N 3.42Å |
| 1095 | L | 80.6 | Confident | 80.8 | Confident | 21 Ų | 21 | 37.3 Ų | 37.3 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | trans | -74.9 | 117 | 174.3 | -168.7 | 69.8 | 0 | 0 | 0 | 109 | T1082 P1088 F1092 P1097 P1098 F1099 N1145 | T1082-L1095 HydrophobicContact CG2-CD2 4.11Å; P1088-L1095 HydrophobicContact CG-CB 4.17Å; P1088-L1095 HydrophobicContact CG-CD1 4.28Å; F1092-L1095 HydrophobicContact CD1-CD2 4.38Å; F1092-L1095 VanDerWaalsContact O-CB 3.32Å; F1092-L1095 WeakPolarHBondContact O-CB 3.25Å; F1092-L1095 PolarHBondContact O-N 2.91Å; L1095-P1097 CarbonylContact C-O 3.52Å; L1095-P1097 CarbonylContact O-C 3.44Å; L1095-P1098 WeakPolarHBondContact O-CA 3.36Å; L1095-F1099 HydrophobicContact CD2-CB 3.93Å; L1095-F1099 HydrophobicContact CD2-CD2 4.27Å; L1095-N1145 HydrophobicContact CD2-CB 4.08Å; L1095-N1145 WeakPolarHBondContact CG-ND2 3.34Å | ||
| 1096 | E | 70 | Confident | 79.7 | Confident | 123 Ų | 123 | 42.3 Ų | 42.3 | 58% | 0.575 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -120.2 | 122.9 | 177.2 | -168 | 163.1 | -164.9 | 0 | 0 | 110.2 | N1094 | N1094-E1096 PolarHBondContact O-N 3.42Š|
| 1097 | P | 80.3 | Confident | 78.2 | Confident | 15 Ų | 15 | 42.7 Ų | 42.7 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | S | Bend | cis | -63.8 | 161.7 | -8.7 | 22.9 | -28.9 | 0 | 0 | 0 | 113.7 | W780 L1095 C1143 N1145 | W780-P1097 HydrophobicContact CH2-CB 3.58Å; W780-P1097 HydrophobicContact CH2-CG 3.8Å; W780-P1097 HydrophobicContact CZ2-CB 4.06Å; W780-P1097 HydrophobicContact CZ3-CB 4.19Å; W780-P1097 HydrophobicContact CZ3-CG 3.98Å; L1095-P1097 CarbonylContact C-O 3.52Å; L1095-P1097 CarbonylContact O-C 3.44Å; P1097-C1143 VanDerWaalsContact CG-O 3.32Å; P1097-C1143 WeakPolarHBondContact CG-O 3.39Å; P1097-N1145 WeakPolarHBondContact CD-ND2 3.24Å; P1097-N1145 PolarHBondContact O-ND2 2.72Å |
| 1098 | P | 84.2 | Confident | 76.5 | Confident | 40 Ų | 40 | 46.5 Ų | 46.5 | 26% | 0.26 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 145 | 179.5 | 25.4 | -33.1 | 0 | 0 | 0 | 111.7 | R1046 L1095 C1100 | R1046-P1098 VanDerWaalsContact CZ-CG 3.5Å; L1095-P1098 WeakPolarHBondContact O-CA 3.36Å; P1098-C1100 PolarHBondContact O-N 3.21Å |
| 1099 | F | 90.8 | Very high | 74.9 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 128.6 | 178.5 | -166.4 | -93.1 | 0 | 0 | 0 | 110.7 | L1041 T1045 R1046 F1077 V1081 T1082 L1095 I1101 N1145 | L1041-F1099 HydrophobicContact CD1-CB 4.04Å; L1041-F1099 HydrophobicContact CD1-CD1 4.04Å; L1041-F1099 HydrophobicContact CD1-CD2 3.89Å; L1041-F1099 HydrophobicContact CD1-CE1 4.45Å; L1041-F1099 HydrophobicContact CD1-CE2 4.29Å; L1041-F1099 HydrophobicContact CD1-CG 3.74Å; T1045-F1099 CarbonylContact C-O 3.55Å; T1045-F1099 WeakPolarHBondContact CA-O 3.43Å; T1045-F1099 HydrophobicContact CG2-CD1 3.82Å; T1045-F1099 HydrophobicContact CG2-CE1 4.37Å; T1045-F1099 WeakPolarHBondContact OG1-CD1 3.47Å; R1046-F1099 PolarHBondContact N-O 3.17Å; F1077-F1099 AromaticContact CE1-CZ 3.98Å; F1077-F1099 HydrophobicContact CE1-CZ 3.98Å; F1077-F1099 AromaticContact CZ-CZ 3.91Å; F1077-F1099 HydrophobicContact CZ-CZ 3.91Å; V1081-F1099 HydrophobicContact CB-CE2 3.61Å; V1081-F1099 HydrophobicContact CB-CZ 4.06Å; V1081-F1099 HydrophobicContact CG1-CD2 3.94Å; V1081-F1099 HydrophobicContact CG1-CE2 3.24Å; V1081-F1099 HydrophobicContact CG1-CZ 3.66Å; V1081-F1099 HydrophobicContact CG2-CE2 4.16Å; V1081-F1099 HydrophobicContact CG2-CZ 4.1Å; T1082-F1099 HydrophobicContact CG2-CD2 3.95Å; T1082-F1099 HydrophobicContact CG2-CE2 4.1Å; L1095-F1099 HydrophobicContact CD2-CB 3.93Å; L1095-F1099 HydrophobicContact CD2-CD2 4.27Å; F1099-I1101 HydrophobicContact CD1-CG1 4.26Å; F1099-I1101 HydrophobicContact CE1-CD1 4.04Å; F1099-I1101 HydrophobicContact CE1-CG1 3.75Å; F1099-N1145 WeakPolarHBondContact CA-O 3.46Å |
| 1100 | C | 90.7 | Very high | 73.6 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 16% | 0.162 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142 | -175.8 | -169.2 | 0 | 0 | 0 | 0 | 111.3 | R1046 P1098 N1145 L1146 L1147 | R1046-C1100 CarbonylContact O-C 3.52Å; R1046-C1100 VanDerWaalsContact O-CA 3.26Å; R1046-C1100 WeakPolarHBondContact O-CA 3.28Å; P1098-C1100 PolarHBondContact O-N 3.21Å; C1100-N1145 PolarHBondContact N-O 2.84Å; C1100-L1146 HydrophobicContact CB-CD1 3.7Å; C1100-L1146 CarbonylContact O-C 3.58Å; C1100-L1146 WeakPolarHBondContact O-CA 3.31Å; C1100-L1147 PolarHBondContact O-N 3.38Å |
| 1101 | I | 93.3 | Very high | 71.9 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 120.8 | 172.1 | -52.8 | 175.5 | 0 | 0 | 0 | 108.9 | T1045 R1046 Y1047 S1048 F1051 I1058 L1061 W1062 F1099 L1147 L1149 | T1045-I1101 HydrophobicContact CG2-CD1 3.73Å; T1045-I1101 HydrophobicContact CG2-CG1 3.75Å; R1046-I1101 PolarHBondContact O-N 3.36Å; Y1047-I1101 CarbonylContact C-O 3.43Å; Y1047-I1101 WeakPolarHBondContact CA-O 3.45Å; Y1047-I1101 HydrophobicContact CD1-CB 4.17Å; Y1047-I1101 HydrophobicContact CE1-CD1 4Å; S1048-I1101 PolarHBondContact N-O 3.43Å; F1051-I1101 HydrophobicContact CD2-CG2 3.97Å; F1051-I1101 HydrophobicContact CE2-CG2 4.34Å; I1058-I1101 HydrophobicContact CD1-CB 4.41Å; I1058-I1101 HydrophobicContact CD1-CD1 4.3Å; I1058-I1101 HydrophobicContact CD1-CG2 3.77Å; L1061-I1101 HydrophobicContact CD2-CD1 3.57Å; W1062-I1101 HydrophobicContact CZ2-CD1 4.03Å; F1099-I1101 HydrophobicContact CD1-CG1 4.26Å; F1099-I1101 HydrophobicContact CE1-CD1 4.04Å; F1099-I1101 HydrophobicContact CE1-CG1 3.75Å; I1101-L1147 CarbonylContact C-O 3.53Å; I1101-L1147 WeakPolarHBondContact CA-O 3.35Å; I1101-L1147 HydrophobicContact CG1-CB 4.3Å; I1101-L1147 HydrophobicContact CG1-CD2 4.38Å; I1101-L1147 HydrophobicContact CG2-CB 4.49Å; I1101-L1147 HydrophobicContact CG2-CD2 4.29Å; I1101-L1149 HydrophobicContact CG2-CB 4.24Å |
| 1102 | R | 89.7 | Confident | 70.1 | Confident | 75 Ų | 75 | 69.5 Ų | 69.5 | 28% | 0.283 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.6 | 178.4 | -178.2 | 173 | 174.8 | -175 | -4.4 | 110.8 | S1048 D1115 L1146 L1147 L1149 | S1048-R1102 WeakPolarHBondContact O-CA 3.48Å; S1048-R1102 VanDerWaalsContact OG-CB 3.26Å; S1048-R1102 WeakPolarHBondContact OG-CB 3.42Å; R1102-D1115 IonicContact CZ-OD1 3.12Å; R1102-D1115 IonicContact NH1-OD1 3.9Å; R1102-D1115 IonicContact NH1-OD2 3.97Å; R1102-D1115 PolarHBondContact NH1-OD2 3.37Å; R1102-D1115 IonicContact NH2-OD1 3.94Å; R1102-D1115 PolarHBondContact NH2-OD1 2.92Å; R1102-D1115 IonicContact NH2-OD2 2.71Å; R1102-L1146 HydrophobicContact CB-CD1 3.74Å; R1102-L1147 PolarHBondContact N-O 3.39Å; R1102-L1149 PolarHBondContact O-N 3.35Å |
| 1103 | C | 84.5 | Confident | 67.9 | Low | 6 Ų | 6 | 75 Ų | 75 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 127.5 | 168.3 | -168.7 | 0 | 0 | 0 | 0 | 110.6 | S1048 G1049 F1051 L1149 | S1048-C1103 PolarHBondContact O-N 3.33Å; S1048-C1103 VanDerWaalsContact O-N 3.14Å; G1049-C1103 VanDerWaalsContact O-CB 3.28Å; G1049-C1103 WeakPolarHBondContact O-CB 3.49Å; F1051-C1103 HydrophobicContact CD1-CB 3.77Å; F1051-C1103 HydrophobicContact CD2-CB 3.56Å; F1051-C1103 VanDerWaalsContact CD2-N 3.28Å; F1051-C1103 HydrophobicContact CE1-CB 3.67Å; F1051-C1103 WeakPolarHBondContact CE1-SG 3.31Å; F1051-C1103 HydrophobicContact CE2-CB 3.46Å; F1051-C1103 VanDerWaalsContact CE2-CB 3.46Å; F1051-C1103 HydrophobicContact CG-CB 3.72Å; F1051-C1103 HydrophobicContact CZ-CB 3.53Å; F1051-C1103 WeakPolarHBondContact CZ-SG 3.49Å; C1103-L1149 WeakPolarHBondContact CA-O 3.37Å |
| 1104 | V | 80 | Confident | 66.1 | Low | 27 Ų | 27 | 74.1 Ų | 74.1 | 16% | 0.164 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 129.3 | 168.7 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | K1148 L1149 | V1104-K1148 HydrophobicContact CG2-CB 3.62Å; V1104-K1148 HydrophobicContact CG2-CG 4.35Å; V1104-L1149 PolarHBondContact N-O 2.96Å; V1104-L1149 VanDerWaalsContact N-O 3.11Å |
| 1105 | H | 66.3 | Low | 64.4 | Low | 98 Ų | 98 | 76.5 Ų | 76.5 | 45% | 0.454 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -96.5 | 146.2 | 177.3 | -75.3 | 77.6 | 0 | 0 | 0 | 110.7 | ||
| 1106 | Y | 54 | Low | 62.7 | Low | 121 Ų | 121 | 79.3 Ų | 79.3 | 48% | 0.475 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -99.2 | 125.9 | 176.6 | -176.2 | -111.9 | 0 | 0 | 0 | 109.9 | N1108 | Y1106-N1108 HydrophobicContact CE1-CB 4.43Å; Y1106-N1108 WeakPolarHBondContact CE1-OD1 3.37Å; Y1106-N1108 PolarHBondContact OH-OD1 2.86Å |
| 1107 | T | 46.9 | Very low | 61.4 | Low | 73 Ų | 73 | 80.4 Ų | 80.4 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | trans | -120.5 | 132 | 159.9 | 43.9 | 0 | 0 | 0 | 0 | 107.7 | E1109 K1122 | T1107-E1109 PolarHBondContact O-N 3.44Å; T1107-K1122 HydrophobicContact CG2-CD 4.36Å | ||
| 1108 | N | 43.4 | Very low | 59.8 | Low | 100 Ų | 100 | 81.7 Ų | 81.7 | 54% | 0.535 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -65.6 | 35.2 | -174.9 | -102.6 | -31 | 0 | 0 | 0 | 115.2 | Y1106 E1132 | Y1106-N1108 HydrophobicContact CE1-CB 4.43Å; Y1106-N1108 WeakPolarHBondContact CE1-OD1 3.37Å; Y1106-N1108 PolarHBondContact OH-OD1 2.86Å; N1108-E1132 PolarHBondContact ND2-OE2 3.5Å |
| 1109 | E | 42.1 | Very low | 58.1 | Low | 153 Ų | 153 | 82.3 Ų | 82.3 | 72% | 0.715 | 45% | 0.45 | S | S | * | . | trans | -124.7 | 118 | 176.6 | -69.7 | 176.7 | -170.8 | 0 | 0 | 108.5 | T1107 Q1111 | T1107-E1109 PolarHBondContact O-N 3.44Å; E1109-Q1111 PolarHBondContact O-N 3Å | ||
| 1110 | D | 43.9 | Very low | 56 | Low | 175 Ų | 175 | 85.5 Ų | 85.5 | 94% | 0.936 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -64.1 | 28.3 | -178.5 | -69.8 | -42.9 | 0 | 0 | 0 | 114.2 | ||
| 1111 | Q | 42.5 | Very low | 53.6 | Low | 165 Ų | 165 | 89.5 Ų | 89.5 | 77% | 0.771 | 49% | 0.488 | S | S | * | . | trans | -136 | 66.6 | 176.5 | -66.3 | -175 | 8.8 | 0 | 0 | 109.7 | E1109 V1113 | E1109-Q1111 PolarHBondContact O-N 3Å; Q1111-V1113 PolarHBondContact O-N 3.15Å | ||
| 1112 | D | 41.7 | Very low | 51.4 | Low | 98 Ų | 98 | 96.1 Ų | 96.1 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | trans | -76.2 | 75.7 | 173 | -155.1 | 10.5 | 0 | 0 | 0 | 109.2 | G1114 R1136 | D1112-G1114 PolarHBondContact O-N 3.22Å; D1112-R1136 IonicContact OD2-NH1 3.34Å; D1112-R1136 PolarHBondContact OD2-NH1 2.99Å | ||
| 1113 | V | 38.8 | Very low | 49.4 | Very low | 121 Ų | 121 | 93.5 Ų | 93.5 | 73% | 0.733 | 51% | 0.514 | S | S | * | . | trans | -77.8 | 69.6 | 174 | -169.2 | 0 | 0 | 0 | 0 | 109.2 | Q1111 | Q1111-V1113 PolarHBondContact O-N 3.15Š| ||
| 1114 | G | 44.5 | Very low | 47.4 | Very low | 47 Ų | 47 | 101.4 Ų | 101.4 | 49% | 0.485 | 55% | 0.548 | S | S | . | . | S | Bend | trans | 57.6 | -175.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | D1112 T1116 | D1112-G1114 PolarHBondContact O-N 3.22Å; G1114-T1116 PolarHBondContact O-N 3.19Å |
| 1115 | D | 44.1 | Very low | 45.6 | Very low | 120 Ų | 120 | 107.5 Ų | 107.5 | 64% | 0.642 | 58% | 0.579 | S | S | * | * | trans | -65.3 | 89.6 | -176.4 | -81 | -33.5 | 0 | 0 | 0 | 111.7 | R1102 | R1102-D1115 IonicContact CZ-OD1 3.12Å; R1102-D1115 IonicContact NH1-OD1 3.9Å; R1102-D1115 IonicContact NH1-OD2 3.97Å; R1102-D1115 PolarHBondContact NH1-OD2 3.37Å; R1102-D1115 IonicContact NH2-OD1 3.94Å; R1102-D1115 PolarHBondContact NH2-OD1 2.92Å; R1102-D1115 IonicContact NH2-OD2 2.71Å | ||
| 1116 | T | 44.8 | Very low | 44.4 | Very low | 81 Ų | 81 | 105.2 Ų | 105.2 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | trans | -96.1 | 146.6 | 161.8 | 65.9 | 0 | 0 | 0 | 0 | 110.3 | G1114 G1118 S1119 | G1114-T1116 PolarHBondContact O-N 3.19Å; T1116-G1118 PolarHBondContact O-N 2.86Å; T1116-S1119 WeakPolarHBondContact O-CB 3.28Å; T1116-S1119 PolarHBondContact O-N 3.44Å; T1116-S1119 PolarHBondContact O-OG 3.43Å; T1116-S1119 PolarHBondContact OG1-OG 3.48Å | ||
| 1117 | L | 43.6 | Very low | 43.7 | Very low | 146 Ų | 146 | 105.8 Ų | 105.8 | 76% | 0.764 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -49.2 | -29.2 | 174 | -83.4 | 156.5 | 0 | 0 | 0 | 112.5 | V1120 L1121 | L1117-V1120 PolarHBondContact O-N 2.82Å; L1117-L1121 WeakPolarHBondContact O-CB 3.24Å; L1117-L1121 WeakPolarHBondContact O-CG 3.37Å; L1117-L1121 PolarHBondContact O-N 3.46Å |
| 1118 | G | 46.3 | Very low | 43.4 | Very low | 42 Ų | 42 | 109.3 Ų | 109.3 | 43% | 0.433 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.5 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1116 V1120 L1121 K1122 | T1116-G1118 PolarHBondContact O-N 2.86Å; G1118-V1120 VanDerWaalsContact C-N 3.34Å; G1118-V1120 PolarHBondContact O-N 3.16Å; G1118-L1121 PolarHBondContact O-N 2.85Å; G1118-K1122 VanDerWaalsContact O-CB 3.24Å; G1118-K1122 WeakPolarHBondContact O-CB 3.23Å; G1118-K1122 PolarHBondContact O-N 2.88Å |
| 1119 | S | 48.3 | Very low | 43.2 | Very low | 52 Ų | 52 | 107.7 Ų | 107.7 | 36% | 0.364 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.5 | -37.8 | 178.5 | -31 | 0 | 0 | 0 | 0 | 111.7 | T1116 G1123 | T1116-S1119 WeakPolarHBondContact O-CB 3.28Å; T1116-S1119 PolarHBondContact O-N 3.44Å; T1116-S1119 PolarHBondContact O-OG 3.43Å; T1116-S1119 PolarHBondContact OG1-OG 3.48Å; S1119-G1123 PolarHBondContact O-N 3.4Å; S1119-G1123 VanDerWaalsContact O-N 3.16Å |
| 1120 | V | 46.9 | Very low | 43.1 | Very low | 72 Ų | 72 | 111.1 Ų | 111.1 | 44% | 0.436 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71.4 | -45 | 178.1 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | L1117 G1118 G1123 F1124 | L1117-V1120 PolarHBondContact O-N 2.82Å; G1118-V1120 VanDerWaalsContact C-N 3.34Å; G1118-V1120 PolarHBondContact O-N 3.16Å; V1120-G1123 PolarHBondContact O-N 2.86Å; V1120-F1124 HydrophobicContact CG1-CD2 4.37Å; V1120-F1124 HydrophobicContact CG1-CE2 4.44Å; V1120-F1124 PolarHBondContact O-N 2.83Å; V1120-F1124 VanDerWaalsContact O-N 3.16Å |
| 1121 | L | 40.4 | Very low | 43.2 | Very low | 107 Ų | 107 | 114.8 Ų | 114.8 | 56% | 0.56 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.5 | -37.8 | 179.2 | -74.2 | 165.7 | 0 | 0 | 0 | 112.4 | L1117 G1118 G1123 F1124 L1125 | L1117-L1121 WeakPolarHBondContact O-CB 3.24Å; L1117-L1121 WeakPolarHBondContact O-CG 3.37Å; L1117-L1121 PolarHBondContact O-N 3.46Å; G1118-L1121 PolarHBondContact O-N 2.85Å; L1121-G1123 VanDerWaalsContact C-N 3.3Å; L1121-G1123 PolarHBondContact O-N 2.99Å; L1121-F1124 PolarHBondContact O-N 3.3Å; L1121-L1125 PolarHBondContact O-N 3.06Å |
| 1122 | K | 47 | Very low | 43.5 | Very low | 139 Ų | 139 | 111.5 Ų | 111.5 | 60% | 0.604 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67 | -32.9 | 174.8 | -150.8 | 176.2 | -172.1 | -179.2 | 0 | 111.4 | T1107 G1118 L1125 G1126 | T1107-K1122 HydrophobicContact CG2-CD 4.36Å; G1118-K1122 VanDerWaalsContact O-CB 3.24Å; G1118-K1122 WeakPolarHBondContact O-CB 3.23Å; G1118-K1122 PolarHBondContact O-N 2.88Å; K1122-L1125 PolarHBondContact O-N 3.44Å; K1122-G1126 WeakPolarHBondContact O-CA 3.36Å; K1122-G1126 PolarHBondContact O-N 2.85Å |
| 1123 | G | 46.8 | Very low | 44 | Very low | 21 Ų | 21 | 115.1 Ų | 115.1 | 22% | 0.216 | 63% | 0.631 | C | S | . | * | H | α-helix | trans | -66.4 | -35.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1119 V1120 L1121 | S1119-G1123 PolarHBondContact O-N 3.4Å; S1119-G1123 VanDerWaalsContact O-N 3.16Å; V1120-G1123 PolarHBondContact O-N 2.86Å; L1121-G1123 VanDerWaalsContact C-N 3.3Å; L1121-G1123 PolarHBondContact O-N 2.99Å |
| 1124 | F | 44.2 | Very low | 45.2 | Very low | 171 Ų | 171 | 110.8 Ų | 110.8 | 75% | 0.75 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.3 | -27.6 | 176.2 | -96.1 | -85.8 | 0 | 0 | 0 | 113.7 | V1120 L1121 | V1120-F1124 HydrophobicContact CG1-CD2 4.37Å; V1120-F1124 HydrophobicContact CG1-CE2 4.44Å; V1120-F1124 PolarHBondContact O-N 2.83Å; V1120-F1124 VanDerWaalsContact O-N 3.16Å; L1121-F1124 PolarHBondContact O-N 3.3Å |
| 1125 | L | 41.1 | Very low | 46.5 | Very low | 156 Ų | 156 | 112.7 Ų | 112.7 | 82% | 0.817 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -111.4 | -9.2 | -173.8 | -67.6 | 168.6 | 0 | 0 | 0 | 114.7 | L1121 K1122 | L1121-L1125 PolarHBondContact O-N 3.06Å; K1122-L1125 PolarHBondContact O-N 3.44Å |
| 1126 | G | 41.8 | Very low | 48.2 | Very low | 49 Ų | 49 | 111 Ų | 111 | 51% | 0.505 | 60% | 0.595 | S | S | . | * | trans | -97.9 | 26.4 | -164.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | K1122 V1128 | K1122-G1126 WeakPolarHBondContact O-CA 3.36Å; K1122-G1126 PolarHBondContact O-N 2.85Å; G1126-V1128 PolarHBondContact O-N 3.46Å | ||
| 1127 | V | 39.6 | Very low | 50.1 | Low | 133 Ų | 133 | 109.5 Ų | 109.5 | 81% | 0.806 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 7.7 | -171.6 | 178.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1128 | V | 40.5 | Very low | 52.2 | Low | 148 Ų | 148 | 102.7 Ų | 102.7 | 90% | 0.897 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.5 | 27 | -170.8 | -161.7 | 0 | 0 | 0 | 0 | 115.4 | G1126 | G1126-V1128 PolarHBondContact O-N 3.46Š|
| 1129 | G | 39 | Very low | 54.1 | Low | 65 Ų | 65 | 101.4 Ų | 101.4 | 67% | 0.67 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -127.2 | 103.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1130 | R | 40.6 | Very low | 55.8 | Low | 225 Ų | 225 | 100.4 Ų | 100.4 | 85% | 0.849 | 53% | 0.526 | S | S | * | . | trans | 54.4 | 120.5 | 163 | -73.4 | -177.4 | 178.3 | 170.3 | 0.6 | 119.2 | E1132 | R1130-E1132 VanDerWaalsContact C-N 3.31Å; R1130-E1132 PolarHBondContact O-N 3.3Å | ||
| 1131 | R | 44.4 | Very low | 57.5 | Low | 252 Ų | 252 | 98.3 Ų | 98.3 | 95% | 0.951 | 52% | 0.515 | S | S | * | . | trans | -75.5 | 69.6 | 171.1 | -69.7 | 177.1 | 172.7 | 168.8 | -2.2 | 111.4 | ||||
| 1132 | E | 49.3 | Very low | 59.4 | Low | 96 Ų | 96 | 94 Ų | 94 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | trans | -82.3 | 142.1 | 165.8 | -84.5 | 167.3 | -168.9 | 0 | 0 | 110.4 | N1108 R1130 V1134 | N1108-E1132 PolarHBondContact ND2-OE2 3.5Å; R1130-E1132 VanDerWaalsContact C-N 3.31Å; R1130-E1132 PolarHBondContact O-N 3.3Å; E1132-V1134 PolarHBondContact O-N 2.94Å | ||
| 1133 | E | 52.1 | Low | 60.6 | Low | 174 Ų | 174 | 88.1 Ų | 88.1 | 81% | 0.813 | 47% | 0.469 | S | S | * | . | trans | -69 | 115.3 | 176.2 | -75.1 | -172.1 | 161.3 | 0 | 0 | 109.9 | S1135 | E1133-S1135 PolarHBondContact O-N 2.86Å; E1133-S1135 VanDerWaalsContact O-N 3.09Å | ||
| 1134 | V | 64.7 | Low | 62.1 | Low | 31 Ų | 31 | 91.2 Ų | 91.2 | 19% | 0.188 | 48% | 0.477 | C | S | . | . | trans | -69.3 | 108 | 178.6 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | E1132 R1136 P1150 Y1152 | E1132-V1134 PolarHBondContact O-N 2.94Å; V1134-R1136 HydrophobicContact CG1-CB 4.15Å; V1134-P1150 HydrophobicContact CG1-CB 3.73Å; V1134-P1150 HydrophobicContact CG1-CG 4.41Å; V1134-Y1152 HydrophobicContact CB-CD1 4.44Å | ||
| 1135 | S | 71.4 | Confident | 64.1 | Low | 86 Ų | 86 | 83.1 Ų | 83.1 | 60% | 0.601 | 44% | 0.442 | S | S | * | . | trans | -75.8 | -22.1 | -179.6 | 59.9 | 0 | 0 | 0 | 0 | 113.6 | E1133 L1137 | E1133-S1135 PolarHBondContact O-N 2.86Å; E1133-S1135 VanDerWaalsContact O-N 3.09Å; S1135-L1137 PolarHBondContact O-N 3.47Å | ||
| 1136 | R | 79.3 | Confident | 66.4 | Low | 85 Ų | 85 | 76.7 Ų | 76.7 | 32% | 0.321 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 132.3 | -178.2 | -164.4 | 172.9 | -175.8 | 167.2 | 5 | 111 | D1112 V1134 P1150 Y1152 S1175 | D1112-R1136 IonicContact OD2-NH1 3.34Å; D1112-R1136 PolarHBondContact OD2-NH1 2.99Å; V1134-R1136 HydrophobicContact CG1-CB 4.15Å; R1136-P1150 HydrophobicContact CB-CG 4.4Å; R1136-Y1152 PolarHBondContact O-OH 3.29Å; R1136-S1175 PolarHBondContact NH2-OXT 3.21Å |
| 1137 | L | 85 | Confident | 68.7 | Low | 49 Ų | 49 | 74.4 Ų | 74.4 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 154.6 | 173.3 | -69 | 169.1 | 0 | 0 | 0 | 110.6 | S1135 T1139 K1161 Y1164 | S1135-L1137 PolarHBondContact O-N 3.47Å; L1137-T1139 PolarHBondContact O-N 2.96Å; L1137-K1161 HydrophobicContact CD2-CB 4.16Å; L1137-K1161 HydrophobicContact CD2-CD 3.68Å; L1137-Y1164 HydrophobicContact CD1-CD1 3.66Å; L1137-Y1164 HydrophobicContact CD1-CE1 3.64Å; L1137-Y1164 HydrophobicContact CD2-CD1 3.66Å; L1137-Y1164 HydrophobicContact CD2-CE1 4.39Å; L1137-Y1164 HydrophobicContact CD2-CG 4.39Å; L1137-Y1164 HydrophobicContact CG-CD1 4.34Å |
| 1138 | P | 87.1 | Confident | 71.1 | Confident | 3 Ų | 3 | 70.8 Ų | 70.8 | 2% | 0.019 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 138.8 | 165.8 | -18.5 | 33.5 | 0 | 0 | 0 | 108.9 | F1080 L1147 L1149 Y1152 L1162 A1165 | F1080-P1138 WeakPolarHBondContact CZ-O 3.38Å; P1138-L1147 HydrophobicContact CB-CD1 4.37Å; P1138-L1149 HydrophobicContact CB-CD1 3.99Å; P1138-L1149 HydrophobicContact CG-CD1 3.97Å; P1138-Y1152 WeakPolarHBondContact CD-OH 3.43Å; P1138-Y1152 HydrophobicContact CG-CE2 4.22Å; P1138-L1162 HydrophobicContact CB-CD1 4.32Å; P1138-L1162 HydrophobicContact CG-CB 4.48Å; P1138-L1162 HydrophobicContact CG-CD1 4.19Å; P1138-A1165 HydrophobicContact CG-CB 4.49Å |
| 1139 | T | 86.4 | Confident | 73.5 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 163.6 | 172.8 | 57.4 | 0 | 0 | 0 | 0 | 109.5 | L1137 K1148 | L1137-T1139 PolarHBondContact O-N 2.96Å; T1139-K1148 PolarHBondContact N-O 2.82Å; T1139-K1148 VanDerWaalsContact N-O 3.07Å; T1139-K1148 WeakPolarHBondContact O-CA 3.45Å; T1139-K1148 WeakPolarHBondContact O-CB 3.25Å; T1139-K1148 PolarHBondContact O-N 2.89Å; T1139-K1148 WeakPolarHBondContact OG1-CB 3.3Å |
| 1140 | A | 84.5 | Confident | 75.8 | Confident | 30 Ų | 30 | 60.8 Ų | 60.8 | 25% | 0.248 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 154.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | F1080 L1146 | F1080-A1140 HydrophobicContact CD1-CB 4.12Å; F1080-A1140 HydrophobicContact CE1-CB 3.86Å; F1080-A1140 HydrophobicContact CZ-CB 4.17Å; F1080-A1140 WeakPolarHBondContact O-CB 3.33Å; A1140-L1146 CarbonylContact C-O 3.59Å; A1140-L1146 VanDerWaalsContact CA-O 3.26Å; A1140-L1146 WeakPolarHBondContact CA-O 3.31Å |
| 1141 | S | 82.6 | Confident | 77.9 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 91.9 | 164.3 | -58 | 0 | 0 | 0 | 0 | 107.1 | C1143 F1144 N1145 L1146 K1148 | S1141-C1143 VanDerWaalsContact C-N 3.27Å; S1141-C1143 PolarHBondContact O-N 3.5Å; S1141-F1144 CarbonylContact O-C 3.45Å; S1141-F1144 PolarHBondContact O-N 3.27Å; S1141-N1145 PolarHBondContact O-N 3.3Å; S1141-L1146 PolarHBondContact N-O 2.92Å; S1141-L1146 PolarHBondContact O-N 2.8Å; S1141-L1146 VanDerWaalsContact O-N 3.1Å; S1141-K1148 WeakPolarHBondContact OG-CE 3.21Å; S1141-K1148 PolarHBondContact OG-NZ 3.31Å |
| 1142 | T | 79.1 | Confident | 79.9 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 10% | 0.098 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -61.8 | -35 | -171.5 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | V1081 S1083 F1144 N1145 F1172 | V1081-T1142 WeakPolarHBondContact O-CA 3.37Å; S1083-T1142 VanDerWaalsContact OG-CB 3.22Å; S1083-T1142 WeakPolarHBondContact OG-CB 3.37Å; S1083-T1142 WeakPolarHBondContact OG-CG2 3.35Å; S1083-T1142 PolarHBondContact OG-OG1 2.89Å; T1142-F1144 PolarHBondContact O-N 3.33Å; T1142-F1144 VanDerWaalsContact O-N 3.1Å; T1142-N1145 PolarHBondContact O-N 2.85Å; T1142-N1145 PolarHBondContact O-OD1 3.4Å; T1142-F1172 WeakPolarHBondContact OG1-CE1 3.28Å |
| 1143 | C | 73.4 | Confident | 81.6 | Confident | 16 Ų | 16 | 39.1 Ų | 39.1 | 11% | 0.108 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -54.9 | -29 | 171.9 | -56.8 | 0 | 0 | 0 | 0 | 113.6 | I831 L833 P1097 S1141 | I831-C1143 PolarHBondContact O-SG 3.46Å; I831-C1143 VanDerWaalsContact O-SG 3.4Å; L833-C1143 HydrophobicContact CB-CB 3.88Å; L833-C1143 WeakPolarHBondContact O-CB 3.43Å; P1097-C1143 VanDerWaalsContact CG-O 3.32Å; P1097-C1143 WeakPolarHBondContact CG-O 3.39Å; S1141-C1143 VanDerWaalsContact C-N 3.27Å; S1141-C1143 PolarHBondContact O-N 3.5Å |
| 1144 | F | 78.8 | Confident | 83.4 | Confident | 87 Ų | 87 | 32.6 Ų | 32.6 | 38% | 0.382 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -107 | 6.2 | 179.6 | -61.5 | -71.1 | 0 | 0 | 0 | 113.2 | W780 L833 S1141 T1142 L1146 | W780-F1144 HydrophobicContact CE3-CD1 4.41Å; W780-F1144 HydrophobicContact CE3-CE1 4.15Å; L833-F1144 HydrophobicContact CD1-CE1 4.13Å; L833-F1144 HydrophobicContact CD1-CE2 4.32Å; L833-F1144 HydrophobicContact CD1-CZ 3.59Å; S1141-F1144 CarbonylContact O-C 3.45Å; S1141-F1144 PolarHBondContact O-N 3.27Å; T1142-F1144 PolarHBondContact O-N 3.33Å; T1142-F1144 VanDerWaalsContact O-N 3.1Å; F1144-L1146 HydrophobicContact CB-CB 3.85Å; F1144-L1146 PolarHBondContact O-N 3.49Å; F1144-L1146 VanDerWaalsContact O-N 3.14Å |
| 1145 | N | 85.8 | Confident | 84.7 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 41.1 | -169.6 | -64.5 | -40.7 | 0 | 0 | 0 | 111.7 | V1081 T1082 L1095 P1097 F1099 C1100 S1141 T1142 | V1081-N1145 WeakPolarHBondContact O-CA 3.3Å; T1082-N1145 VanDerWaalsContact CA-OD1 3.26Å; T1082-N1145 WeakPolarHBondContact CA-OD1 3.43Å; T1082-N1145 VanDerWaalsContact CB-OD1 3.24Å; T1082-N1145 WeakPolarHBondContact CB-OD1 3.44Å; T1082-N1145 HydrophobicContact CG2-CB 4.18Å; T1082-N1145 WeakPolarHBondContact CG2-OD1 3.31Å; L1095-N1145 HydrophobicContact CD2-CB 4.08Å; L1095-N1145 WeakPolarHBondContact CG-ND2 3.34Å; P1097-N1145 WeakPolarHBondContact CD-ND2 3.24Å; P1097-N1145 PolarHBondContact O-ND2 2.72Å; F1099-N1145 WeakPolarHBondContact CA-O 3.46Å; C1100-N1145 PolarHBondContact N-O 2.84Å; S1141-N1145 PolarHBondContact O-N 3.3Å; T1142-N1145 PolarHBondContact O-N 2.85Å; T1142-N1145 PolarHBondContact O-OD1 3.4Å |
| 1146 | L | 88.3 | Confident | 85.6 | Confident | 21 Ų | 21 | 34.3 Ų | 34.3 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 115.7 | -167.7 | 173 | 64.7 | 0 | 0 | 0 | 111.1 | C1100 R1102 A1140 S1141 F1144 K1148 | C1100-L1146 HydrophobicContact CB-CD1 3.7Å; C1100-L1146 CarbonylContact O-C 3.58Å; C1100-L1146 WeakPolarHBondContact O-CA 3.31Å; R1102-L1146 HydrophobicContact CB-CD1 3.74Å; A1140-L1146 CarbonylContact C-O 3.59Å; A1140-L1146 VanDerWaalsContact CA-O 3.26Å; A1140-L1146 WeakPolarHBondContact CA-O 3.31Å; S1141-L1146 PolarHBondContact N-O 2.92Å; S1141-L1146 PolarHBondContact O-N 2.8Å; S1141-L1146 VanDerWaalsContact O-N 3.1Å; F1144-L1146 HydrophobicContact CB-CB 3.85Å; F1144-L1146 PolarHBondContact O-N 3.49Å; F1144-L1146 VanDerWaalsContact O-N 3.14Å; L1146-K1148 HydrophobicContact CD2-CG 4.32Å; L1146-K1148 HydrophobicContact CG-CG 4.32Å |
| 1147 | L | 91.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 116 | 168 | 179.1 | 65.7 | 0 | 0 | 0 | 110 | L1061 F1077 F1080 V1081 C1100 I1101 R1102 P1138 L1149 | L1061-L1147 HydrophobicContact CD2-CD2 3.96Å; F1077-L1147 HydrophobicContact CE2-CD2 3.89Å; F1077-L1147 HydrophobicContact CZ-CD2 4.03Å; F1080-L1147 HydrophobicContact CD1-CD1 4.29Å; F1080-L1147 HydrophobicContact CE1-CD1 3.87Å; V1081-L1147 HydrophobicContact CG1-CB 4.05Å; V1081-L1147 HydrophobicContact CG2-CB 3.97Å; V1081-L1147 HydrophobicContact CG2-CD1 3.9Å; V1081-L1147 HydrophobicContact CG2-CG 4.37Å; C1100-L1147 PolarHBondContact O-N 3.38Å; I1101-L1147 CarbonylContact C-O 3.53Å; I1101-L1147 WeakPolarHBondContact CA-O 3.35Å; I1101-L1147 HydrophobicContact CG1-CB 4.3Å; I1101-L1147 HydrophobicContact CG1-CD2 4.38Å; I1101-L1147 HydrophobicContact CG2-CB 4.49Å; I1101-L1147 HydrophobicContact CG2-CD2 4.29Å; R1102-L1147 PolarHBondContact N-O 3.39Å; P1138-L1147 HydrophobicContact CB-CD1 4.37Å; L1147-L1149 HydrophobicContact CD2-CB 4.45Å; L1147-L1149 HydrophobicContact CG-CB 4.25Å |
| 1148 | K | 89.7 | Confident | 86.4 | Confident | 57 Ų | 57 | 29.1 Ų | 29.1 | 25% | 0.248 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 102 | 171.8 | -67.8 | 178.8 | -175.5 | 171.8 | 0 | 108.4 | V1104 T1139 S1141 L1146 | V1104-K1148 HydrophobicContact CG2-CB 3.62Å; V1104-K1148 HydrophobicContact CG2-CG 4.35Å; T1139-K1148 PolarHBondContact N-O 2.82Å; T1139-K1148 VanDerWaalsContact N-O 3.07Å; T1139-K1148 WeakPolarHBondContact O-CA 3.45Å; T1139-K1148 WeakPolarHBondContact O-CB 3.25Å; T1139-K1148 PolarHBondContact O-N 2.89Å; T1139-K1148 WeakPolarHBondContact OG1-CB 3.3Å; S1141-K1148 WeakPolarHBondContact OG-CE 3.21Å; S1141-K1148 PolarHBondContact OG-NZ 3.31Å; L1146-K1148 HydrophobicContact CD2-CG 4.32Å; L1146-K1148 HydrophobicContact CG-CG 4.32Å |
| 1149 | L | 89.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 121.7 | -172 | -173 | 70.9 | 0 | 0 | 0 | 111.1 | F1051 V1057 L1061 I1101 R1102 C1103 V1104 P1138 L1147 Y1152 L1158 | F1051-L1149 HydrophobicContact CE2-CB 3.97Å; F1051-L1149 HydrophobicContact CE2-CD2 4.34Å; F1051-L1149 HydrophobicContact CE2-CG 4.42Å; F1051-L1149 WeakPolarHBondContact CE2-O 3.48Å; V1057-L1149 HydrophobicContact CG1-CD2 3.74Å; V1057-L1149 HydrophobicContact CG1-CG 4.39Å; L1061-L1149 HydrophobicContact CD2-CD2 4.3Å; I1101-L1149 HydrophobicContact CG2-CB 4.24Å; R1102-L1149 PolarHBondContact O-N 3.35Å; C1103-L1149 WeakPolarHBondContact CA-O 3.37Å; V1104-L1149 PolarHBondContact N-O 2.96Å; V1104-L1149 VanDerWaalsContact N-O 3.11Å; P1138-L1149 HydrophobicContact CB-CD1 3.99Å; P1138-L1149 HydrophobicContact CG-CD1 3.97Å; L1147-L1149 HydrophobicContact CD2-CB 4.45Å; L1147-L1149 HydrophobicContact CG-CB 4.25Å; L1149-Y1152 HydrophobicContact CD1-CD2 4.49Å; L1149-Y1152 HydrophobicContact CD1-CE2 3.94Å; L1149-L1158 HydrophobicContact CD1-CD1 3.64Å; L1149-L1158 HydrophobicContact CD2-CD1 4.16Å; L1149-L1158 HydrophobicContact CG-CD1 4.34Å |
| 1150 | P | 88 | Confident | 86.9 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 153.2 | 172.2 | -21.1 | 33 | 0 | 0 | 0 | 112.9 | V1134 R1136 Y1152 | V1134-P1150 HydrophobicContact CG1-CB 3.73Å; V1134-P1150 HydrophobicContact CG1-CG 4.41Å; R1136-P1150 HydrophobicContact CB-CG 4.4Å; P1150-Y1152 VanDerWaalsContact C-N 3.29Å; P1150-Y1152 HydrophobicContact CB-CE1 4.24Å; P1150-Y1152 HydrophobicContact CB-CE2 4.2Å; P1150-Y1152 HydrophobicContact CG-CE1 4.48Å; P1150-Y1152 HydrophobicContact CG-CE2 4.27Å; P1150-Y1152 WeakPolarHBondContact O-CD2 3.42Å; P1150-Y1152 PolarHBondContact O-N 2.83Å |
| 1151 | N | 85.5 | Confident | 87.2 | Confident | 52 Ų | 52 | 39.1 Ų | 39.1 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | trans | -79.4 | 73.2 | 176.5 | -169.3 | -1.7 | 0 | 0 | 0 | 111.6 | R1056 V1057 | R1056-N1151 PolarHBondContact NH2-OD1 3.38Å; R1056-N1151 VanDerWaalsContact NH2-OD1 3.17Å; V1057-N1151 VanDerWaalsContact CG2-OD1 3.25Å; V1057-N1151 WeakPolarHBondContact CG2-OD1 3.5Å | ||
| 1152 | Y | 86.4 | Confident | 87.7 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | trans | -57.7 | 147.3 | -179.4 | -64.5 | -69.5 | 0 | 0 | 0 | 113.2 | V1134 R1136 P1138 L1149 P1150 A1157 L1158 K1161 | V1134-Y1152 HydrophobicContact CB-CD1 4.44Å; R1136-Y1152 PolarHBondContact O-OH 3.29Å; P1138-Y1152 WeakPolarHBondContact CD-OH 3.43Å; P1138-Y1152 HydrophobicContact CG-CE2 4.22Å; L1149-Y1152 HydrophobicContact CD1-CD2 4.49Å; L1149-Y1152 HydrophobicContact CD1-CE2 3.94Å; P1150-Y1152 VanDerWaalsContact C-N 3.29Å; P1150-Y1152 HydrophobicContact CB-CE1 4.24Å; P1150-Y1152 HydrophobicContact CB-CE2 4.2Å; P1150-Y1152 HydrophobicContact CG-CE1 4.48Å; P1150-Y1152 HydrophobicContact CG-CE2 4.27Å; P1150-Y1152 WeakPolarHBondContact O-CD2 3.42Å; P1150-Y1152 PolarHBondContact O-N 2.83Å; Y1152-A1157 HydrophobicContact CD1-CB 4.46Å; Y1152-L1158 HydrophobicContact CD2-CB 3.94Å; Y1152-L1158 HydrophobicContact CD2-CD1 3.69Å; Y1152-L1158 HydrophobicContact CD2-CG 4.4Å; Y1152-L1158 HydrophobicContact CE2-CD1 3.9Å; Y1152-L1158 HydrophobicContact CG-CB 4.37Å; Y1152-K1161 HydrophobicContact CE1-CB 4.3Å; Y1152-K1161 HydrophobicContact CE1-CG 4.12Å | ||
| 1153 | S | 84.9 | Confident | 88.3 | Confident | 64 Ų | 64 | 40.9 Ų | 40.9 | 45% | 0.448 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -75.3 | -26.6 | -178.7 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1154 | S | 89.3 | Confident | 89.1 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 26% | 0.259 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -139.2 | 155.6 | -176.4 | 73.2 | 0 | 0 | 0 | 0 | 112.9 | W1060 S1156 A1157 L1158 | W1060-S1154 VanDerWaalsContact CZ3-C 3.49Å; S1154-S1156 VanDerWaalsContact C-N 3.32Å; S1154-S1156 PolarHBondContact OG-OG 2.95Å; S1154-S1156 VanDerWaalsContact OG-OG 3.12Å; S1154-A1157 PolarHBondContact O-N 3.42Å; S1154-A1157 VanDerWaalsContact OG-CB 3.26Å; S1154-A1157 WeakPolarHBondContact OG-CB 3.49Å; S1154-A1157 PolarHBondContact OG-N 2.84Å; S1154-A1157 VanDerWaalsContact OG-N 3.16Å; S1154-L1158 PolarHBondContact O-N 2.79Å |
| 1155 | R | 92.7 | Very high | 89.5 | Confident | 70 Ų | 70 | 43.4 Ų | 43.4 | 26% | 0.264 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.7 | -36.6 | 174.7 | -177 | -173.6 | -178.3 | -69.9 | 4.1 | 112 | W1060 D1063 I1064 D1068 L1158 K1159 | W1060-R1155 HydrophobicContact CB-CB 4.42Å; W1060-R1155 HydrophobicContact CB-CG 4.1Å; W1060-R1155 HydrophobicContact CD2-CB 3.93Å; W1060-R1155 HydrophobicContact CE3-CB 4.34Å; W1060-R1155 HydrophobicContact CG-CB 3.95Å; W1060-R1155 HydrophobicContact CG-CG 4.03Å; D1063-R1155 IonicContact OD2-CZ 3.25Å; D1063-R1155 VanDerWaalsContact OD2-CZ 3.3Å; D1063-R1155 IonicContact OD2-NE 3.42Å; D1063-R1155 PolarHBondContact OD2-NE 3.46Å; D1063-R1155 IonicContact OD2-NH2 3.36Å; D1063-R1155 PolarHBondContact OD2-NH2 2.69Å; I1064-R1155 HydrophobicContact CD1-CG 4.13Å; I1064-R1155 HydrophobicContact CG1-CG 4.3Å; D1068-R1155 IonicContact OD2-CZ 4Å; D1068-R1155 IonicContact OD2-NH1 3.39Å; D1068-R1155 PolarHBondContact OD2-NH1 2.84Å; D1068-R1155 IonicContact OD2-NH2 2.9Å; D1068-R1155 PolarHBondContact OD2-NH2 3.02Å; R1155-L1158 PolarHBondContact O-N 3.11Å; R1155-K1159 WeakPolarHBondContact O-CB 3.34Å; R1155-K1159 PolarHBondContact O-N 3.41Å |
| 1156 | S | 90.9 | Very high | 89.7 | Confident | 82 Ų | 82 | 43.6 Ų | 43.6 | 57% | 0.573 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -65.5 | -45 | 178.3 | 48 | 0 | 0 | 0 | 0 | 111.6 | S1154 L1158 K1159 E1160 | S1154-S1156 VanDerWaalsContact C-N 3.32Å; S1154-S1156 PolarHBondContact OG-OG 2.95Å; S1154-S1156 VanDerWaalsContact OG-OG 3.12Å; S1156-L1158 PolarHBondContact O-N 2.82Å; S1156-K1159 PolarHBondContact O-N 2.87Å; S1156-E1160 WeakPolarHBondContact O-CB 3.45Å; S1156-E1160 PolarHBondContact O-N 3.06Å |
| 1157 | A | 89.2 | Confident | 89.6 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1152 S1154 K1159 K1161 | Y1152-A1157 HydrophobicContact CD1-CB 4.46Å; S1154-A1157 PolarHBondContact O-N 3.42Å; S1154-A1157 VanDerWaalsContact OG-CB 3.26Å; S1154-A1157 WeakPolarHBondContact OG-CB 3.49Å; S1154-A1157 PolarHBondContact OG-N 2.84Å; S1154-A1157 VanDerWaalsContact OG-N 3.16Å; A1157-K1159 PolarHBondContact O-N 3.45Å; A1157-K1161 VanDerWaalsContact O-CB 3.28Å; A1157-K1161 WeakPolarHBondContact O-CB 3.43Å; A1157-K1161 WeakPolarHBondContact O-CG 3.43Å; A1157-K1161 PolarHBondContact O-N 3.19Å |
| 1158 | L | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.3 | -48.1 | 174 | 171.9 | 61.8 | 0 | 0 | 0 | 111.6 | V1057 W1060 L1061 I1064 L1149 Y1152 S1154 R1155 S1156 L1162 | V1057-L1158 HydrophobicContact CG1-CD2 4.11Å; W1060-L1158 HydrophobicContact CB-CD2 3.71Å; L1061-L1158 HydrophobicContact CB-CD2 4.18Å; I1064-L1158 HydrophobicContact CD1-CB 4.18Å; I1064-L1158 HydrophobicContact CD1-CD2 3.7Å; I1064-L1158 HydrophobicContact CD1-CG 3.7Å; L1149-L1158 HydrophobicContact CD1-CD1 3.64Å; L1149-L1158 HydrophobicContact CD2-CD1 4.16Å; L1149-L1158 HydrophobicContact CG-CD1 4.34Å; Y1152-L1158 HydrophobicContact CD2-CB 3.94Å; Y1152-L1158 HydrophobicContact CD2-CD1 3.69Å; Y1152-L1158 HydrophobicContact CD2-CG 4.4Å; Y1152-L1158 HydrophobicContact CE2-CD1 3.9Å; Y1152-L1158 HydrophobicContact CG-CB 4.37Å; S1154-L1158 PolarHBondContact O-N 2.79Å; R1155-L1158 PolarHBondContact O-N 3.11Å; S1156-L1158 PolarHBondContact O-N 2.82Å; L1158-L1162 WeakPolarHBondContact O-CB 3.35Å; L1158-L1162 PolarHBondContact O-N 2.81Å |
| 1159 | K | 92.7 | Very high | 88 | Confident | 51 Ų | 51 | 51.1 Ų | 51.1 | 22% | 0.222 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.3 | -49.9 | -178.9 | 179.8 | 178.6 | 172 | 176.8 | 0 | 111.7 | I1064 D1068 R1155 S1156 A1157 R1163 | I1064-K1159 HydrophobicContact CD1-CB 3.82Å; I1064-K1159 HydrophobicContact CG1-CB 4.19Å; I1064-K1159 HydrophobicContact CG2-CB 4.38Å; I1064-K1159 HydrophobicContact CG2-CG 4.17Å; D1068-K1159 HydrophobicContact CB-CD 4.13Å; D1068-K1159 VanDerWaalsContact CG-NZ 3.32Å; D1068-K1159 IonicContact OD1-NZ 2.71Å; D1068-K1159 PolarHBondContact OD1-NZ 3.4Å; R1155-K1159 WeakPolarHBondContact O-CB 3.34Å; R1155-K1159 PolarHBondContact O-N 3.41Å; S1156-K1159 PolarHBondContact O-N 2.87Å; A1157-K1159 PolarHBondContact O-N 3.45Å; K1159-R1163 WeakPolarHBondContact O-CB 3.28Å; K1159-R1163 PolarHBondContact O-N 3.15Å |
| 1160 | E | 91.5 | Very high | 86.8 | Confident | 139 Ų | 139 | 53.5 Ų | 53.5 | 65% | 0.65 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65.7 | -47.6 | -177.2 | -172.2 | -177.2 | 166.4 | 0 | 0 | 111.8 | S1156 R1163 Y1164 | S1156-E1160 WeakPolarHBondContact O-CB 3.45Å; S1156-E1160 PolarHBondContact O-N 3.06Å; E1160-R1163 PolarHBondContact O-N 2.95Å; E1160-Y1164 WeakPolarHBondContact O-CB 3.22Å; E1160-Y1164 PolarHBondContact O-N 3.43Å |
| 1161 | K | 90.8 | Very high | 85.4 | Confident | 69 Ų | 69 | 54.3 Ų | 54.3 | 30% | 0.3 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.5 | -37.9 | -179.2 | -63.7 | -72.8 | 176.9 | 179.8 | 0 | 112.2 | L1137 Y1152 A1157 Y1164 A1165 | L1137-K1161 HydrophobicContact CD2-CB 4.16Å; L1137-K1161 HydrophobicContact CD2-CD 3.68Å; Y1152-K1161 HydrophobicContact CE1-CB 4.3Å; Y1152-K1161 HydrophobicContact CE1-CG 4.12Å; A1157-K1161 VanDerWaalsContact O-CB 3.28Å; A1157-K1161 WeakPolarHBondContact O-CB 3.43Å; A1157-K1161 WeakPolarHBondContact O-CG 3.43Å; A1157-K1161 PolarHBondContact O-N 3.19Å; K1161-Y1164 PolarHBondContact O-N 3.49Å; K1161-A1165 WeakPolarHBondContact O-CB 3.14Å; K1161-A1165 PolarHBondContact O-N 2.89Å |
| 1162 | L | 91.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.1 | -46.5 | 174.2 | -174.8 | 64.6 | 0 | 0 | 0 | 111.2 | L1061 F1069 F1077 P1138 L1158 Y1164 A1165 I1166 | L1061-L1162 HydrophobicContact CD1-CD2 3.51Å; F1069-L1162 HydrophobicContact CE2-CD2 3.97Å; F1069-L1162 HydrophobicContact CE2-CG 4.27Å; F1069-L1162 HydrophobicContact CZ-CB 4.46Å; F1069-L1162 HydrophobicContact CZ-CD2 3.82Å; F1069-L1162 HydrophobicContact CZ-CG 3.98Å; F1077-L1162 HydrophobicContact CD2-CD1 4.05Å; F1077-L1162 HydrophobicContact CD2-CD2 4.25Å; F1077-L1162 HydrophobicContact CD2-CG 4.47Å; F1077-L1162 HydrophobicContact CE2-CD1 4.13Å; F1077-L1162 HydrophobicContact CE2-CD2 4.33Å; P1138-L1162 HydrophobicContact CB-CD1 4.32Å; P1138-L1162 HydrophobicContact CG-CB 4.48Å; P1138-L1162 HydrophobicContact CG-CD1 4.19Å; L1158-L1162 WeakPolarHBondContact O-CB 3.35Å; L1158-L1162 PolarHBondContact O-N 2.81Å; L1162-Y1164 VanDerWaalsContact C-N 3.28Å; L1162-Y1164 PolarHBondContact O-N 2.89Å; L1162-A1165 PolarHBondContact O-N 3.37Å; L1162-I1166 HydrophobicContact CD1-CG2 4.26Å; L1162-I1166 HydrophobicContact CG-CG2 4.49Å; L1162-I1166 WeakPolarHBondContact O-CG1 3.13Å; L1162-I1166 WeakPolarHBondContact O-CG2 3.36Å; L1162-I1166 PolarHBondContact O-N 2.75Å |
| 1163 | R | 92.5 | Very high | 82.6 | Confident | 81 Ų | 81 | 59.1 Ų | 59.1 | 31% | 0.306 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.1 | -37.8 | 176.5 | -175.7 | 174.8 | -79.4 | 176.4 | -11 | 111.7 | D1068 F1069 E1073 K1159 E1160 I1166 N1167 | D1068-R1163 PolarHBondContact O-NH2 3.48Å; D1068-R1163 VanDerWaalsContact O-NH2 3.14Å; F1069-R1163 HydrophobicContact CE1-CB 4.46Å; F1069-R1163 HydrophobicContact CZ-CB 4.46Å; E1073-R1163 WeakPolarHBondContact OE1-CD 3.43Å; E1073-R1163 WeakPolarHBondContact OE1-CG 3.32Å; E1073-R1163 IonicContact OE1-CZ 2.64Å; E1073-R1163 IonicContact OE1-NE 3.33Å; E1073-R1163 PolarHBondContact OE1-NE 2.77Å; E1073-R1163 IonicContact OE1-NH2 3.64Å; E1073-R1163 PolarHBondContact OE1-NH2 2.8Å; E1073-R1163 IonicContact OE2-CZ 3.13Å; E1073-R1163 IonicContact OE2-NE 2.84Å; E1073-R1163 IonicContact OE2-NH2 2.81Å; E1073-R1163 PolarHBondContact OE2-NH2 2.83Å; K1159-R1163 WeakPolarHBondContact O-CB 3.28Å; K1159-R1163 PolarHBondContact O-N 3.15Å; E1160-R1163 PolarHBondContact O-N 2.95Å; R1163-I1166 WeakPolarHBondContact O-CG1 3.45Å; R1163-N1167 WeakPolarHBondContact O-CB 3.39Å; R1163-N1167 PolarHBondContact O-N 3.16Å; R1163-N1167 PolarHBondContact O-ND2 3.49Å |
| 1164 | Y | 90.5 | Very high | 80.7 | Confident | 150 Ų | 150 | 61.5 Ų | 61.5 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.3 | -49.2 | 173.3 | -174.5 | -89.8 | 0 | 0 | 0 | 111.6 | L1137 E1160 K1161 L1162 I1166 N1167 S1168 | L1137-Y1164 HydrophobicContact CD1-CD1 3.66Å; L1137-Y1164 HydrophobicContact CD1-CE1 3.64Å; L1137-Y1164 HydrophobicContact CD2-CD1 3.66Å; L1137-Y1164 HydrophobicContact CD2-CE1 4.39Å; L1137-Y1164 HydrophobicContact CD2-CG 4.39Å; L1137-Y1164 HydrophobicContact CG-CD1 4.34Å; E1160-Y1164 WeakPolarHBondContact O-CB 3.22Å; E1160-Y1164 PolarHBondContact O-N 3.43Å; K1161-Y1164 PolarHBondContact O-N 3.49Å; L1162-Y1164 VanDerWaalsContact C-N 3.28Å; L1162-Y1164 PolarHBondContact O-N 2.89Å; Y1164-I1166 PolarHBondContact O-N 3.43Å; Y1164-N1167 PolarHBondContact O-N 2.89Å; Y1164-S1168 WeakPolarHBondContact O-CB 3.27Å; Y1164-S1168 PolarHBondContact O-N 3.28Å |
| 1165 | A | 87.4 | Confident | 78.6 | Confident | 5 Ų | 5 | 65 Ų | 65 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.8 | -39.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1080 P1138 K1161 L1162 N1167 S1168 | F1080-A1165 HydrophobicContact CE2-CB 4.14Å; F1080-A1165 HydrophobicContact CZ-CB 4.02Å; P1138-A1165 HydrophobicContact CG-CB 4.49Å; K1161-A1165 WeakPolarHBondContact O-CB 3.14Å; K1161-A1165 PolarHBondContact O-N 2.89Å; L1162-A1165 PolarHBondContact O-N 3.37Å; A1165-N1167 VanDerWaalsContact C-N 3.34Å; A1165-N1167 PolarHBondContact O-N 2.96Å; A1165-S1168 PolarHBondContact O-OG 2.78Å |
| 1166 | I | 88.9 | Confident | 77.8 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -74.7 | -22.6 | 179.2 | 69 | -177.7 | 0 | 0 | 0 | 113.3 | F1069 E1073 L1076 F1077 F1080 L1162 R1163 Y1164 | F1069-I1166 HydrophobicContact CD2-CD1 4.21Å; F1069-I1166 HydrophobicContact CE2-CD1 3.46Å; F1069-I1166 VanDerWaalsContact CE2-CD1 3.46Å; F1069-I1166 HydrophobicContact CZ-CD1 3.78Å; E1073-I1166 HydrophobicContact CB-CD1 4.35Å; L1076-I1166 HydrophobicContact CB-CB 4.23Å; L1076-I1166 HydrophobicContact CB-CD1 4.43Å; L1076-I1166 HydrophobicContact CB-CG1 4.43Å; F1077-I1166 HydrophobicContact CB-CG2 4.27Å; F1077-I1166 HydrophobicContact CD2-CG2 4.38Å; F1080-I1166 HydrophobicContact CB-CB 4.49Å; F1080-I1166 HydrophobicContact CB-CG2 3.93Å; F1080-I1166 HydrophobicContact CD1-CG2 4.26Å; F1080-I1166 HydrophobicContact CG-CG2 4.03Å; L1162-I1166 HydrophobicContact CD1-CG2 4.26Å; L1162-I1166 HydrophobicContact CG-CG2 4.49Å; L1162-I1166 WeakPolarHBondContact O-CG1 3.13Å; L1162-I1166 WeakPolarHBondContact O-CG2 3.36Å; L1162-I1166 PolarHBondContact O-N 2.75Å; R1163-I1166 WeakPolarHBondContact O-CG1 3.45Å; Y1164-I1166 PolarHBondContact O-N 3.43Å |
| 1167 | N | 86 | Confident | 77.2 | Confident | 56 Ų | 56 | 63.8 Ų | 63.8 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -98.4 | -9.9 | 179 | -72.2 | -70.8 | 0 | 0 | 0 | 113 | R1163 Y1164 A1165 H1169 | R1163-N1167 WeakPolarHBondContact O-CB 3.39Å; R1163-N1167 PolarHBondContact O-N 3.16Å; R1163-N1167 PolarHBondContact O-ND2 3.49Å; Y1164-N1167 PolarHBondContact O-N 2.89Å; A1165-N1167 VanDerWaalsContact C-N 3.34Å; A1165-N1167 PolarHBondContact O-N 2.96Å; N1167-H1169 PolarHBondContact O-CD2 3.49Å; N1167-H1169 PolarHBondContact O-N 3.11Å |
| 1168 | S | 80 | Confident | 76.5 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -70.2 | -21.6 | -178.6 | 64.6 | 0 | 0 | 0 | 0 | 113 | Y1164 A1165 A1170 | Y1164-S1168 WeakPolarHBondContact O-CB 3.27Å; Y1164-S1168 PolarHBondContact O-N 3.28Å; A1165-S1168 PolarHBondContact O-OG 2.78Å; S1168-A1170 PolarHBondContact O-N 2.81Å |
| 1169 | H | 69.3 | Low | 75.6 | Confident | 130 Ų | 130 | 69.8 Ų | 69.8 | 60% | 0.602 | 36% | 0.359 | S | S | * | . | trans | 49.5 | 24.5 | -175.5 | -62.8 | -61 | 0 | 0 | 0 | 114 | N1167 G1171 | N1167-H1169 PolarHBondContact O-CD2 3.49Å; N1167-H1169 PolarHBondContact O-N 3.11Å; H1169-G1171 PolarHBondContact O-N 3.12Å | ||
| 1170 | A | 62.6 | Low | 74.5 | Confident | 50 Ų | 50 | 71 Ų | 71 | 41% | 0.413 | 37% | 0.367 | S | S | . | . | trans | -63.2 | 133.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | S1168 L1174 | S1168-A1170 PolarHBondContact O-N 2.81Å; A1170-L1174 HydrophobicContact CB-CB 4.43Å; A1170-L1174 HydrophobicContact CB-CD1 3.23Å; A1170-L1174 HydrophobicContact CB-CG 3.91Å | ||
| 1171 | G | 59.8 | Low | 73.4 | Confident | 21 Ų | 21 | 66.5 Ų | 66.5 | 22% | 0.216 | 35% | 0.348 | C | S | . | . | trans | -65.7 | -160.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R795 H1169 E1173 | R795-G1171 VanDerWaalsContact NH2-CA 3.28Å; H1169-G1171 PolarHBondContact O-N 3.12Å; G1171-E1173 PolarHBondContact O-N 3.22Å | ||
| 1172 | F | 58.7 | Low | 72.2 | Confident | 43 Ų | 43 | 66.3 Ų | 66.3 | 19% | 0.189 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 1.1 | -177.8 | -66.5 | -80.3 | 0 | 0 | 0 | 114.3 | F820 E828 V836 E839 T1142 L1174 | F820-F1172 HydrophobicContact CD2-CD2 4.11Å; F820-F1172 HydrophobicContact CD2-CE2 4Å; F820-F1172 HydrophobicContact CE2-CE2 4.04Å; E828-F1172 PolarHBondContact OE2-N 3.1Å; V836-F1172 HydrophobicContact CB-CE2 4.27Å; V836-F1172 HydrophobicContact CB-CZ 4.24Å; V836-F1172 HydrophobicContact CG1-CE2 3.9Å; V836-F1172 HydrophobicContact CG1-CZ 4.37Å; V836-F1172 HydrophobicContact CG2-CE1 4.16Å; V836-F1172 HydrophobicContact CG2-CE2 4.04Å; V836-F1172 HydrophobicContact CG2-CZ 3.82Å; E839-F1172 WeakPolarHBondContact OE2-CE2 3.5Å; E839-F1172 WeakPolarHBondContact OE2-CZ 3.12Å; T1142-F1172 WeakPolarHBondContact OG1-CE1 3.28Å; F1172-L1174 PolarHBondContact O-N 2.82Å |
| 1173 | E | 53.4 | Low | 70.7 | Confident | 112 Ų | 112 | 71.4 Ų | 71.4 | 52% | 0.523 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -28.2 | -178 | -59.3 | -172.2 | 148.9 | 0 | 0 | 114.4 | N822 E828 G1171 S1175 | N822-E1173 WeakPolarHBondContact CB-OE1 3.43Å; N822-E1173 VanDerWaalsContact CG-OE1 3.23Å; N822-E1173 PolarHBondContact ND2-OE1 3.31Å; E828-E1173 HydrophobicContact CG-CG 4.04Å; G1171-E1173 PolarHBondContact O-N 3.22Å; E1173-S1175 PolarHBondContact O-N 3.1Å |
| 1174 | L | 46.4 | Very low | 68.9 | Low | 115 Ų | 115 | 70.6 Ų | 70.6 | 60% | 0.602 | 39% | 0.385 | S | S | * | . | trans | -95.1 | 75.4 | -175.4 | -69.2 | -179.6 | 0 | 0 | 0 | 111.8 | A1170 F1172 | A1170-L1174 HydrophobicContact CB-CB 4.43Å; A1170-L1174 HydrophobicContact CB-CD1 3.23Å; A1170-L1174 HydrophobicContact CB-CG 3.91Å; F1172-L1174 PolarHBondContact O-N 2.82Å | ||
| 1175 | S | 43.2 | Very low | 66.9 | Low | 110 Ų | 110 | 63.4 Ų | 63.4 | 77% | 0.769 | 37% | 0.366 | S | S | * | . | trans | -100.6 | 0 | 165.6 | 73.1 | 0 | 0 | 0 | 0 | 113 | R1136 E1173 | R1136-S1175 PolarHBondContact NH2-OXT 3.21Å; E1173-S1175 PolarHBondContact O-N 3.1Å |
Retrieved 1,175 of 1,175 residues in 1242.4 ms
(Link to these results)