| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.5 | Very low | 46.3 | Very low | 224 Ų | 224 | 124.5 Ų | 124.5 | 100% | 1.103 | 69% | 0.687 | S | S | * | * | 0 | 118 | 0 | -70.7 | -175.8 | 177.4 | 0 | 0 | 109.6 | |||||
| 2 | D | 31.8 | Very low | 47.4 | Very low | 127 Ų | 127 | 121.3 Ų | 121.3 | 68% | 0.679 | 68% | 0.678 | S | S | * | * | -149.3 | 133.9 | -86.6 | -73.4 | -44.9 | 0 | 0 | 0 | 111 | T4 | D2-T4 PolarHBondContact O-N 2.84Š| |||
| 3 | N | 38.4 | Very low | 49.2 | Very low | 158 Ų | 158 | 120 Ų | 120 | 85% | 0.845 | 66% | 0.664 | S | S | * | * | trans | 53.2 | 13.4 | 151.6 | -61 | -5.2 | 0 | 0 | 0 | 121.8 | ||||
| 4 | T | 44.7 | Very low | 50.9 | Low | 107 Ų | 107 | 116.8 Ų | 116.8 | 66% | 0.656 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -77.6 | -28.9 | -179.6 | 49.9 | 0 | 0 | 0 | 0 | 115.7 | D2 C6 | D2-T4 PolarHBondContact O-N 2.84Å; T4-C6 PolarHBondContact O-N 3.07Å |
| 5 | N | 42.5 | Very low | 52.5 | Low | 139 Ų | 139 | 114.1 Ų | 114.1 | 74% | 0.743 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -91.3 | 13.9 | -164 | -68.5 | 27.2 | 0 | 0 | 0 | 115.4 | ||
| 6 | C | 41.3 | Very low | 53.9 | Low | 94 Ų | 94 | 113.1 Ų | 113.1 | 64% | 0.635 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -87.1 | -25.8 | 178.7 | -149.7 | 0 | 0 | 0 | 0 | 112.8 | T4 Q10 | T4-C6 PolarHBondContact O-N 3.07Å; C6-Q10 PolarHBondContact O-N 3.19Å |
| 7 | S | 49.7 | Very low | 55.3 | Low | 80 Ų | 80 | 110.5 Ų | 110.5 | 56% | 0.559 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.6 | -43.7 | -168.7 | -50.9 | 0 | 0 | 0 | 0 | 114.1 | V9 Q10 L11 | S7-V9 PolarHBondContact O-N 2.85Å; S7-Q10 PolarHBondContact O-N 3.07Å; S7-L11 WeakPolarHBondContact O-CB 3.4Å; S7-L11 PolarHBondContact O-N 2.94Å |
| 8 | D | 43.8 | Very low | 56.3 | Low | 120 Ų | 120 | 112 Ų | 112 | 64% | 0.642 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.7 | -33.3 | -174.3 | -65 | -28.6 | 0 | 0 | 0 | 112.5 | L11 C12 | D8-L11 PolarHBondContact O-N 3.41Å; D8-C12 PolarHBondContact O-N 2.86Å |
| 9 | V | 56 | Low | 57.1 | Low | 101 Ų | 101 | 111.1 Ų | 111.1 | 61% | 0.612 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.5 | -43.4 | 174.8 | -177 | 0 | 0 | 0 | 0 | 110.1 | S7 L11 C12 Q13 | S7-V9 PolarHBondContact O-N 2.85Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-C12 PolarHBondContact O-N 3.26Å; V9-Q13 WeakPolarHBondContact O-CB 3.38Å; V9-Q13 PolarHBondContact O-N 2.85Å |
| 10 | Q | 59.3 | Low | 57.8 | Low | 110 Ų | 110 | 112.3 Ų | 112.3 | 51% | 0.514 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.4 | -41.9 | 175.1 | -164 | 70.2 | 40.7 | 0 | 0 | 111.3 | C6 S7 Q13 D14 | C6-Q10 PolarHBondContact O-N 3.19Å; S7-Q10 PolarHBondContact O-N 3.07Å; Q10-Q13 PolarHBondContact O-N 3.12Å; Q10-D14 WeakPolarHBondContact O-CB 3.47Å; Q10-D14 PolarHBondContact O-N 3.15Å |
| 11 | L | 62.6 | Low | 58.7 | Low | 109 Ų | 109 | 111.5 Ų | 111.5 | 57% | 0.571 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66 | -43.6 | 179.3 | -172.6 | 65.3 | 0 | 0 | 0 | 112.3 | S7 D8 V9 D14 V15 | S7-L11 WeakPolarHBondContact O-CB 3.4Å; S7-L11 PolarHBondContact O-N 2.94Å; D8-L11 PolarHBondContact O-N 3.41Å; V9-L11 VanDerWaalsContact C-N 3.34Å; L11-D14 PolarHBondContact O-N 3.27Å; L11-V15 WeakPolarHBondContact O-CB 3.43Å; L11-V15 VanDerWaalsContact O-CG2 3.28Å; L11-V15 WeakPolarHBondContact O-CG2 3.28Å; L11-V15 PolarHBondContact O-N 2.89Å |
| 12 | C | 59 | Low | 60 | Low | 86 Ų | 86 | 104.1 Ų | 104.1 | 58% | 0.581 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62 | -43.6 | 172.6 | -76.8 | 0 | 0 | 0 | 0 | 111.7 | D8 V9 D14 V15 D16 | D8-C12 PolarHBondContact O-N 2.86Å; V9-C12 PolarHBondContact O-N 3.26Å; C12-D14 PolarHBondContact O-N 2.83Å; C12-V15 PolarHBondContact O-N 3.13Å; C12-D16 PolarHBondContact O-N 3.02Å |
| 13 | Q | 71 | Confident | 61.3 | Low | 105 Ų | 105 | 102.8 Ų | 102.8 | 49% | 0.491 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.3 | -41.2 | 178.7 | -163.9 | 70.5 | 75 | 0 | 0 | 111.8 | V9 Q10 N17 | V9-Q13 WeakPolarHBondContact O-CB 3.38Å; V9-Q13 PolarHBondContact O-N 2.85Å; Q10-Q13 PolarHBondContact O-N 3.12Å; Q13-N17 VanDerWaalsContact O-CB 3.31Å; Q13-N17 WeakPolarHBondContact O-CB 3.35Å; Q13-N17 PolarHBondContact O-N 3.11Å; Q13-N17 PolarHBondContact O-ND2 3.26Å; Q13-N17 VanDerWaalsContact O-ND2 3.08Å |
| 14 | D | 73.6 | Confident | 62.8 | Low | 75 Ų | 75 | 98.3 Ų | 98.3 | 40% | 0.401 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.5 | -32.9 | 177.1 | -75.5 | -19.8 | 0 | 0 | 0 | 112.5 | Q10 L11 C12 Q18 | Q10-D14 WeakPolarHBondContact O-CB 3.47Å; Q10-D14 PolarHBondContact O-N 3.15Å; L11-D14 PolarHBondContact O-N 3.27Å; C12-D14 PolarHBondContact O-N 2.83Å; D14-Q18 VanDerWaalsContact O-CB 3.23Å; D14-Q18 WeakPolarHBondContact O-CB 3.42Å; D14-Q18 PolarHBondContact O-N 3.39Å |
| 15 | V | 75 | Confident | 63.7 | Low | 76 Ų | 76 | 99.3 Ų | 99.3 | 46% | 0.461 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.4 | -44.2 | 172.5 | 167.6 | 0 | 0 | 0 | 0 | 111.5 | L11 C12 Q18 L19 | L11-V15 WeakPolarHBondContact O-CB 3.43Å; L11-V15 VanDerWaalsContact O-CG2 3.28Å; L11-V15 WeakPolarHBondContact O-CG2 3.28Å; L11-V15 PolarHBondContact O-N 2.89Å; C12-V15 PolarHBondContact O-N 3.13Å; V15-Q18 PolarHBondContact O-N 3.25Å; V15-L19 HydrophobicContact CG1-CD1 4.21Å; V15-L19 WeakPolarHBondContact O-CB 3.39Å; V15-L19 PolarHBondContact O-N 3.18Å |
| 16 | D | 74.8 | Confident | 64 | Low | 99 Ų | 99 | 99 Ų | 99 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 173.8 | -94.6 | -12.1 | 0 | 0 | 0 | 111.3 | C12 Q18 L19 Q20 | C12-D16 PolarHBondContact O-N 3.02Å; D16-Q18 VanDerWaalsContact C-N 3.3Å; D16-Q18 PolarHBondContact O-N 3.22Å; D16-L19 PolarHBondContact O-N 3.27Å; D16-Q20 VanDerWaalsContact O-CB 3.22Å; D16-Q20 WeakPolarHBondContact O-CB 3.34Å; D16-Q20 PolarHBondContact O-N 2.86Å |
| 17 | N | 76.6 | Confident | 64.3 | Low | 69 Ų | 69 | 99.6 Ų | 99.6 | 37% | 0.369 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58 | -42.6 | 173.2 | -73.6 | -28.4 | 0 | 0 | 0 | 111.3 | Q13 Q20 I21 | Q13-N17 VanDerWaalsContact O-CB 3.31Å; Q13-N17 WeakPolarHBondContact O-CB 3.35Å; Q13-N17 PolarHBondContact O-N 3.11Å; Q13-N17 PolarHBondContact O-ND2 3.26Å; Q13-N17 VanDerWaalsContact O-ND2 3.08Å; N17-Q20 PolarHBondContact O-N 2.71Å; N17-I21 WeakPolarHBondContact O-CB 3.37Å; N17-I21 WeakPolarHBondContact O-CD1 3.4Å; N17-I21 VanDerWaalsContact O-CG1 3.23Å; N17-I21 WeakPolarHBondContact O-CG1 3.48Å; N17-I21 PolarHBondContact O-N 3.31Å |
| 18 | Q | 74.2 | Confident | 64.2 | Low | 137 Ų | 137 | 102.1 Ų | 102.1 | 64% | 0.64 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -72.7 | -37.7 | -178.5 | -158.1 | 170.8 | 119.8 | 0 | 0 | 112.4 | D14 V15 D16 I21 C22 | D14-Q18 VanDerWaalsContact O-CB 3.23Å; D14-Q18 WeakPolarHBondContact O-CB 3.42Å; D14-Q18 PolarHBondContact O-N 3.39Å; V15-Q18 PolarHBondContact O-N 3.25Å; D16-Q18 VanDerWaalsContact C-N 3.3Å; D16-Q18 PolarHBondContact O-N 3.22Å; Q18-I21 PolarHBondContact O-N 3.04Å; Q18-C22 WeakPolarHBondContact O-CB 3.43Å; Q18-C22 PolarHBondContact O-N 2.86Å; Q18-C22 PolarHBondContact O-SG 2.79Å |
| 19 | L | 71.6 | Confident | 64.1 | Low | 95 Ų | 95 | 100 Ų | 100 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 169.1 | -90.2 | 163.8 | 0 | 0 | 0 | 111.6 | V15 D16 C22 L23 | V15-L19 HydrophobicContact CG1-CD1 4.21Å; V15-L19 WeakPolarHBondContact O-CB 3.39Å; V15-L19 PolarHBondContact O-N 3.18Å; D16-L19 PolarHBondContact O-N 3.27Å; L19-C22 PolarHBondContact O-N 3.41Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.34Å; L19-L23 PolarHBondContact O-N 2.98Å |
| 20 | Q | 71.5 | Confident | 63.4 | Low | 135 Ų | 135 | 100.7 Ų | 100.7 | 63% | 0.631 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72.8 | -30 | 179.9 | -161.1 | 159.9 | 99.9 | 0 | 0 | 112.3 | D16 N17 T24 | D16-Q20 VanDerWaalsContact O-CB 3.22Å; D16-Q20 WeakPolarHBondContact O-CB 3.34Å; D16-Q20 PolarHBondContact O-N 2.86Å; N17-Q20 PolarHBondContact O-N 2.71Å; Q20-T24 WeakPolarHBondContact O-CB 3.42Å; Q20-T24 VanDerWaalsContact O-CG2 3.31Å; Q20-T24 WeakPolarHBondContact O-CG2 3.49Å; Q20-T24 PolarHBondContact O-N 3.41Å; Q20-T24 PolarHBondContact O-OG1 3.05Å |
| 21 | I | 76.8 | Confident | 62.4 | Low | 96 Ų | 96 | 102.1 Ų | 102.1 | 49% | 0.492 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.1 | -50.9 | 166.4 | -71.9 | 163.7 | 0 | 0 | 0 | 110.2 | N17 Q18 L23 T24 E25 | N17-I21 WeakPolarHBondContact O-CB 3.37Å; N17-I21 WeakPolarHBondContact O-CD1 3.4Å; N17-I21 VanDerWaalsContact O-CG1 3.23Å; N17-I21 WeakPolarHBondContact O-CG1 3.48Å; N17-I21 PolarHBondContact O-N 3.31Å; Q18-I21 PolarHBondContact O-N 3.04Å; I21-L23 PolarHBondContact O-N 3.21Å; I21-T24 CarbonylContact O-C 3.56Å; I21-T24 PolarHBondContact O-N 3.29Å; I21-T24 VanDerWaalsContact O-N 3.1Å; I21-T24 PolarHBondContact O-OG1 3.35Å; I21-E25 HydrophobicContact CG2-CG 4.4Å; I21-E25 PolarHBondContact O-N 2.93Å |
| 22 | C | 65.5 | Low | 60.9 | Low | 69 Ų | 69 | 101 Ų | 101 | 47% | 0.466 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 178.5 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | Q18 L19 T24 E25 E26 | Q18-C22 WeakPolarHBondContact O-CB 3.43Å; Q18-C22 PolarHBondContact O-N 2.86Å; Q18-C22 PolarHBondContact O-SG 2.79Å; L19-C22 PolarHBondContact O-N 3.41Å; C22-T24 VanDerWaalsContact C-N 3.34Å; C22-T24 PolarHBondContact O-N 3.43Å; C22-E25 PolarHBondContact O-N 2.92Å; C22-E26 PolarHBondContact O-N 2.86Å |
| 23 | L | 60.2 | Low | 59.4 | Low | 99 Ų | 99 | 107.9 Ų | 107.9 | 52% | 0.518 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.3 | -35.4 | 176.1 | -74.3 | 167.3 | 0 | 0 | 0 | 112.5 | L19 I21 L27 | L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.34Å; L19-L23 PolarHBondContact O-N 2.98Å; I21-L23 PolarHBondContact O-N 3.21Å; L23-L27 VanDerWaalsContact O-CB 3.26Å; L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 WeakPolarHBondContact O-CD1 3.42Å; L23-L27 WeakPolarHBondContact O-CG 3.39Å; L23-L27 PolarHBondContact O-N 3.45Å |
| 24 | T | 68.5 | Low | 57.6 | Low | 63 Ų | 63 | 108.4 Ų | 108.4 | 39% | 0.387 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -80.4 | -20.3 | 175.2 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | Q20 I21 C22 K28 | Q20-T24 WeakPolarHBondContact O-CB 3.42Å; Q20-T24 VanDerWaalsContact O-CG2 3.31Å; Q20-T24 WeakPolarHBondContact O-CG2 3.49Å; Q20-T24 PolarHBondContact O-N 3.41Å; Q20-T24 PolarHBondContact O-OG1 3.05Å; I21-T24 CarbonylContact O-C 3.56Å; I21-T24 PolarHBondContact O-N 3.29Å; I21-T24 VanDerWaalsContact O-N 3.1Å; I21-T24 PolarHBondContact O-OG1 3.35Å; C22-T24 VanDerWaalsContact C-N 3.34Å; C22-T24 PolarHBondContact O-N 3.43Å; T24-K28 VanDerWaalsContact O-CB 3.29Å; T24-K28 WeakPolarHBondContact O-CB 3.31Å; T24-K28 VanDerWaalsContact O-CD 3.28Å; T24-K28 WeakPolarHBondContact O-CD 3.34Å; T24-K28 WeakPolarHBondContact O-CG 3.48Å; T24-K28 PolarHBondContact O-N 2.86Å; T24-K28 VanDerWaalsContact O-N 3.08Å |
| 25 | E | 64.3 | Low | 55.6 | Low | 128 Ų | 128 | 114 Ų | 114 | 60% | 0.598 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -78.9 | -40.2 | 168.5 | -70.3 | -153.7 | 143.1 | 0 | 0 | 112.3 | I21 C22 K28 S29 | I21-E25 HydrophobicContact CG2-CG 4.4Å; I21-E25 PolarHBondContact O-N 2.93Å; C22-E25 PolarHBondContact O-N 2.92Å; E25-K28 PolarHBondContact O-N 3.34Å; E25-S29 WeakPolarHBondContact O-CB 3.39Å; E25-S29 PolarHBondContact O-N 3.47Å |
| 26 | E | 49 | Very low | 53.6 | Low | 134 Ų | 134 | 116.4 Ų | 116.4 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.8 | -45.2 | 170.3 | -73.8 | -156.1 | 145.9 | 0 | 0 | 111.6 | C22 K28 S29 V30 | C22-E26 PolarHBondContact O-N 2.86Å; E26-K28 VanDerWaalsContact C-N 3.27Å; E26-K28 PolarHBondContact O-N 2.66Å; E26-S29 PolarHBondContact O-N 3.21Å; E26-S29 PolarHBondContact O-OG 3.1Å; E26-V30 WeakPolarHBondContact O-CB 3.45Å; E26-V30 WeakPolarHBondContact O-CG2 3.33Å; E26-V30 PolarHBondContact O-N 2.91Å |
| 27 | L | 46.9 | Very low | 51.5 | Low | 106 Ų | 106 | 119.7 Ų | 119.7 | 56% | 0.555 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.6 | -31.1 | 175.4 | -72.5 | 171 | 0 | 0 | 0 | 112.3 | L23 H31 | L23-L27 VanDerWaalsContact O-CB 3.26Å; L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 WeakPolarHBondContact O-CD1 3.42Å; L23-L27 WeakPolarHBondContact O-CG 3.39Å; L23-L27 PolarHBondContact O-N 3.45Å; L27-H31 PolarHBondContact O-N 3.38Å; L27-H31 PolarHBondContact O-ND1 3.38Å |
| 28 | K | 47.6 | Very low | 49.6 | Very low | 133 Ų | 133 | 122.1 Ų | 122.1 | 58% | 0.578 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -71.2 | -42.2 | 171 | -80.5 | 166.9 | -171.6 | 162.4 | 0 | 112.4 | T24 E25 E26 V30 H31 S32 | T24-K28 VanDerWaalsContact O-CB 3.29Å; T24-K28 WeakPolarHBondContact O-CB 3.31Å; T24-K28 VanDerWaalsContact O-CD 3.28Å; T24-K28 WeakPolarHBondContact O-CD 3.34Å; T24-K28 WeakPolarHBondContact O-CG 3.48Å; T24-K28 PolarHBondContact O-N 2.86Å; T24-K28 VanDerWaalsContact O-N 3.08Å; E25-K28 PolarHBondContact O-N 3.34Å; E26-K28 VanDerWaalsContact C-N 3.27Å; E26-K28 PolarHBondContact O-N 2.66Å; K28-V30 VanDerWaalsContact C-N 3.35Å; K28-V30 PolarHBondContact O-N 3.36Å; K28-H31 CarbonylContact O-C 3.48Å; K28-H31 PolarHBondContact O-N 3.33Å; K28-S32 VanDerWaalsContact O-CB 3.31Å; K28-S32 WeakPolarHBondContact O-CB 3.39Å; K28-S32 PolarHBondContact O-N 3.05Å; K28-S32 PolarHBondContact O-OG 3.48Å |
| 29 | S | 43.2 | Very low | 47.4 | Very low | 75 Ų | 75 | 123 Ų | 123 | 52% | 0.524 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.2 | -40.3 | -179 | 74.9 | 0 | 0 | 0 | 0 | 111.3 | E25 E26 H31 S32 | E25-S29 WeakPolarHBondContact O-CB 3.39Å; E25-S29 PolarHBondContact O-N 3.47Å; E26-S29 PolarHBondContact O-N 3.21Å; E26-S29 PolarHBondContact O-OG 3.1Å; S29-H31 VanDerWaalsContact C-N 3.29Å; S29-H31 PolarHBondContact O-N 3.19Å; S29-S32 PolarHBondContact O-N 3.07Å |
| 30 | V | 40.1 | Very low | 45.6 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 70% | 0.697 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -66.3 | -26.8 | 174.6 | 174.1 | 0 | 0 | 0 | 0 | 112.9 | E26 K28 | E26-V30 WeakPolarHBondContact O-CB 3.45Å; E26-V30 WeakPolarHBondContact O-CG2 3.33Å; E26-V30 PolarHBondContact O-N 2.91Å; K28-V30 VanDerWaalsContact C-N 3.35Å; K28-V30 PolarHBondContact O-N 3.36Å |
| 31 | H | 38 | Very low | 43.9 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 65% | 0.648 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 2.7 | 175.8 | -70.8 | 83.7 | 0 | 0 | 0 | 114.2 | L27 K28 S29 Y33 | L27-H31 PolarHBondContact O-N 3.38Å; L27-H31 PolarHBondContact O-ND1 3.38Å; K28-H31 CarbonylContact O-C 3.48Å; K28-H31 PolarHBondContact O-N 3.33Å; S29-H31 VanDerWaalsContact C-N 3.29Å; S29-H31 PolarHBondContact O-N 3.19Å; H31-Y33 PolarHBondContact O-N 2.82Å |
| 32 | S | 32.3 | Very low | 41.6 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 60% | 0.601 | 69% | 0.687 | S | S | * | * | trans | -95.3 | 42.3 | -174.3 | -67.1 | 0 | 0 | 0 | 0 | 114.7 | K28 S29 | K28-S32 VanDerWaalsContact O-CB 3.31Å; K28-S32 WeakPolarHBondContact O-CB 3.39Å; K28-S32 PolarHBondContact O-N 3.05Å; K28-S32 PolarHBondContact O-OG 3.48Å; S29-S32 PolarHBondContact O-N 3.07Å | ||
| 33 | Y | 27.9 | Very low | 39.9 | Very low | 231 Ų | 231 | 137.7 Ų | 137.7 | 91% | 0.906 | 71% | 0.71 | S | S | * | * | trans | -116.3 | 99.9 | 156.8 | -95.4 | -90.7 | 0 | 0 | 0 | 108.6 | H31 | H31-Y33 PolarHBondContact O-N 2.82Š| ||
| 34 | S | 31.7 | Very low | 38.3 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | -151.9 | 122.3 | 177.9 | -78.4 | 0 | 0 | 0 | 0 | 110.5 | T36 | S34-T36 PolarHBondContact O-N 2.85Š| ||
| 35 | E | 31.2 | Very low | 36.3 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 91% | 0.907 | 73% | 0.734 | S | S | * | * | trans | -94.3 | 97.3 | -173.2 | -162.6 | 165 | -144.8 | 0 | 0 | 111.3 | ||||
| 36 | T | 32.9 | Very low | 34.7 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 77% | 0.767 | 74% | 0.742 | S | S | * | * | trans | 16.2 | 121.5 | 160.6 | 58.1 | 0 | 0 | 0 | 0 | 120.1 | S34 | S34-T36 PolarHBondContact O-N 2.85Š| ||
| 37 | L | 31 | Very low | 33.5 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 88% | 0.88 | 75% | 0.752 | S | S | * | * | trans | -128.7 | 133.7 | 154.8 | -145.1 | 79.8 | 0 | 0 | 0 | 109.6 | ||||
| 38 | P | 36.6 | Very low | 32.8 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -82.5 | 152.3 | -175.3 | 31.5 | -35.3 | 0 | 0 | 0 | 114.2 | ||||
| 39 | N | 29.6 | Very low | 31.9 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -71.6 | 149.4 | -173.6 | -53.6 | -74.7 | 0 | 0 | 0 | 114.8 | ||||
| 40 | H | 33.4 | Very low | 31.3 | Very low | 187 Ų | 187 | 148.1 Ų | 148.1 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | -151.7 | 149.9 | 133.3 | -108.2 | -80.6 | 0 | 0 | 0 | 110 | ||||
| 41 | P | 34.9 | Very low | 31 | Very low | 110 Ų | 110 | 147.5 Ų | 147.5 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | trans | -94.2 | 169.7 | -162.8 | 37.1 | -36.3 | 0 | 0 | 0 | 115.2 | ||||
| 42 | H | 28 | Very low | 30.7 | Very low | 169 Ų | 169 | 149.4 Ų | 149.4 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | trans | -50.4 | 144.5 | 173.6 | -70.6 | -113.1 | 0 | 0 | 0 | 114.3 | ||||
| 43 | Y | 31.3 | Very low | 30.9 | Very low | 238 Ų | 238 | 150.8 Ų | 150.8 | 93% | 0.933 | 81% | 0.807 | S | S | * | * | -146.9 | 156.2 | 124.8 | -111.9 | -78.3 | 0 | 0 | 0 | 110.2 | |||||
| 44 | S | 26.5 | Very low | 31 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 62% | 0.622 | 79% | 0.793 | S | S | * | * | trans | -112.8 | 167.4 | -165.5 | -55.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 45 | L | 26.7 | Very low | 31 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | trans | 90.2 | 143.6 | 156.8 | -61.9 | 171.8 | 0 | 0 | 0 | 120.4 | ||||
| 46 | Q | 29.9 | Very low | 31.1 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | 68.3 | 94.2 | 148.6 | -74.6 | 162.3 | -43.9 | 0 | 0 | 119.9 | N48 | Q46-N48 PolarHBondContact O-N 3.32Š| ||
| 47 | L | 24.5 | Very low | 31.3 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | 14.8 | 108.2 | 111 | -71.2 | 162.2 | 0 | 0 | 0 | 116 | |||||
| 48 | N | 31.3 | Very low | 31.6 | Very low | 169 Ų | 169 | 140 Ų | 140 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | -163.9 | 161.6 | 112.5 | -100 | -31.2 | 0 | 0 | 0 | 112.6 | Q46 | Q46-N48 PolarHBondContact O-N 3.32Š| |||
| 49 | A | 28.1 | Very low | 31.5 | Very low | 89 Ų | 89 | 140.3 Ų | 140.3 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -91.9 | -171.2 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 50 | V | 30.5 | Very low | 31.8 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | 115.1 | 122.6 | 153.3 | -175 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 51 | S | 34.6 | Very low | 31.7 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | 59.9 | 102 | 156.6 | 69 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 52 | H | 31.3 | Very low | 31.7 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | 6 | 164.8 | 101.4 | -78.4 | -27.3 | 0 | 0 | 0 | 120.2 | |||||
| 53 | P | 36.5 | Very low | 31.7 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | cis | -139.9 | -170.2 | 5.6 | 37.2 | -15.8 | 0 | 0 | 0 | 116.7 | ||||
| 54 | A | 30.7 | Very low | 31.5 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | trans | 86.3 | 119.7 | 135.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 55 | H | 30.5 | Very low | 31.6 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | trans | 39.1 | 135.7 | 132.7 | -54.8 | -72.9 | 0 | 0 | 0 | 120.4 | ||||
| 56 | T | 34.9 | Very low | 31.8 | Very low | 132 Ų | 132 | 130 Ų | 130 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | -168.8 | 137.4 | 71.6 | -68.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 57 | V | 37.4 | Very low | 31.8 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | trans | -93.7 | 162.9 | 166.6 | -151.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 58 | P | 37.2 | Very low | 31.8 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 62% | 0.623 | 74% | 0.744 | S | S | * | * | -156.9 | 173.1 | 105 | 41.6 | -24.6 | 0 | 0 | 0 | 117.3 | |||||
| 59 | N | 34.1 | Very low | 31.6 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 68% | 0.679 | 73% | 0.734 | S | S | * | * | trans | 74.1 | 142.3 | 151.3 | -62.4 | -30.7 | 0 | 0 | 0 | 119.2 | ||||
| 60 | Q | 36.1 | Very low | 31.6 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | cis | -154.6 | 155.9 | -5.5 | -124.6 | 160.2 | 46.9 | 0 | 0 | 112.8 | ||||
| 61 | I | 31.6 | Very low | 31.7 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | -135.2 | 128.2 | 177.9 | -70.6 | 168.8 | 0 | 0 | 0 | 106.7 | V63 | I61-V63 HydrophobicContact CG2-CG2 3.52Š| ||
| 62 | P | 33.7 | Very low | 31.3 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | -144.6 | 146.1 | 104.9 | 33.2 | -14.8 | 0 | 0 | 0 | 114.4 | |||||
| 63 | V | 28.3 | Very low | 31.3 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | 80.6 | 138.6 | 54.6 | -160.1 | 0 | 0 | 0 | 0 | 113.9 | I61 | I61-V63 HydrophobicContact CG2-CG2 3.52Š| |||
| 64 | I | 27.5 | Very low | 31 | Very low | 169 Ų | 169 | 128.2 Ų | 128.2 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | trans | 86.8 | 119.4 | 168.7 | -45.2 | -177.1 | 0 | 0 | 0 | 117.7 | ||||
| 65 | G | 28.1 | Very low | 30.9 | Very low | 60 Ų | 60 | 132 Ų | 132 | 62% | 0.619 | 74% | 0.738 | S | S | * | * | trans | 138.8 | 113.7 | 132.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 66 | S | 31 | Very low | 31 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | 71 | 133.8 | 146.8 | -67.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 67 | K | 29.2 | Very low | 30.8 | Very low | 175 Ų | 175 | 130.7 Ų | 130.7 | 76% | 0.761 | 73% | 0.731 | S | S | * | * | 56.9 | 132.9 | 78.3 | -66.8 | 171.1 | 152 | -86.9 | 0 | 112.2 | |||||
| 68 | E | 26 | Very low | 30.6 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 55% | 0.551 | 74% | 0.735 | S | S | * | * | cis | -167.7 | -174.5 | 0.5 | -128.4 | 170.6 | 101.3 | 0 | 0 | 109.7 | ||||
| 69 | Q | 27 | Very low | 30.2 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | trans | 59 | 103.6 | 147.1 | -72.9 | 169.1 | 24.8 | 0 | 0 | 119.1 | ||||
| 70 | T | 26.9 | Very low | 30.1 | Very low | 116 Ų | 116 | 136 Ų | 136 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | 73.9 | 110 | 78.9 | 61.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 71 | S | 32.5 | Very low | 29.9 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -174.1 | 119.5 | 132.4 | 39.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 72 | N | 26 | Very low | 30.1 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | 66.7 | 93.1 | 52.4 | -63.2 | 5.3 | 0 | 0 | 0 | 113.6 | |||||
| 73 | N | 31.9 | Very low | 30.2 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 87% | 0.866 | 76% | 0.755 | S | S | * | * | trans | -155.2 | 97.1 | 144.8 | -90.5 | -33.7 | 0 | 0 | 0 | 105.3 | ||||
| 74 | T | 29.8 | Very low | 30.3 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | 85.5 | 139.4 | 51.8 | -50.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 75 | I | 29.5 | Very low | 30.8 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | 60.7 | 146.8 | -178.7 | 28.5 | -178.3 | 0 | 0 | 0 | 116.1 | ||||
| 76 | V | 33.1 | Very low | 31.1 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | cis | -128.8 | 163 | 10.1 | -175 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 77 | E | 29.7 | Very low | 31.2 | Very low | 158 Ų | 158 | 139 Ų | 139 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | -56.7 | 153.7 | 172.5 | -56.1 | 112.2 | 151.9 | 0 | 0 | 115.4 | ||||
| 78 | D | 32.5 | Very low | 31.6 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 87% | 0.866 | 74% | 0.739 | S | S | * | * | -169.1 | 153.5 | 116.9 | -107.1 | -21.5 | 0 | 0 | 0 | 111.6 | |||||
| 79 | D | 30.2 | Very low | 32 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -73.2 | 143.3 | -167.8 | -79 | -50 | 0 | 0 | 0 | 115.6 | ||||
| 80 | N | 31 | Very low | 32.4 | Very low | 153 Ų | 153 | 137 Ų | 137 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | 135.7 | 75 | 151.6 | -78.1 | -73.9 | 0 | 0 | 0 | 113.8 | ||||
| 81 | F | 33 | Very low | 32.9 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 77% | 0.768 | 76% | 0.758 | S | S | * | * | trans | -129.7 | 104.1 | 171.1 | -95.7 | -88.6 | 0 | 0 | 0 | 113.6 | A83 D84 | F81-A83 PolarHBondContact O-N 3Å; F81-D84 HydrophobicContact CD1-CB 4.36Å; F81-D84 HydrophobicContact CE1-CB 4.2Å | ||
| 82 | V | 35 | Very low | 33.1 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 89% | 0.885 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -93.5 | 84.4 | 165 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | D84 | V82-D84 PolarHBondContact O-N 3.26Š|
| 83 | A | 36.5 | Very low | 33.7 | Very low | 88 Ų | 88 | 139.9 Ų | 139.9 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 45.9 | 63.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | F81 I85 | F81-A83 PolarHBondContact O-N 3Å; A83-I85 PolarHBondContact O-N 3.45Å | ||
| 84 | D | 30.9 | Very low | 33.9 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 56% | 0.561 | 77% | 0.767 | S | S | * | * | trans | -65.2 | 122.3 | 161.1 | -100.2 | 2.3 | 0 | 0 | 0 | 110 | F81 V82 | F81-D84 HydrophobicContact CD1-CB 4.36Å; F81-D84 HydrophobicContact CE1-CB 4.2Å; V82-D84 PolarHBondContact O-N 3.26Å | ||
| 85 | I | 37.7 | Very low | 34.5 | Very low | 162 Ų | 162 | 147 Ų | 147 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | -97.8 | 102.6 | 172.5 | -60.1 | 177.7 | 0 | 0 | 0 | 108.7 | A83 | A83-I85 PolarHBondContact O-N 3.45Š| ||
| 86 | E | 33.9 | Very low | 35 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 45% | 0.449 | 78% | 0.779 | S | S | . | * | trans | -94 | 105.3 | -175.8 | -158.5 | 166.4 | -136.8 | 0 | 0 | 112.6 | I88 R99 R101 | E86-I88 HydrophobicContact CB-CG1 4.3Å; E86-I88 HydrophobicContact CG-CD1 4.3Å; E86-I88 HydrophobicContact CG-CG1 3.82Å; E86-I88 PolarHBondContact O-N 2.89Å; E86-I88 VanDerWaalsContact O-N 3.1Å; E86-R99 IonicContact OE1-CZ 3.91Å; E86-R99 IonicContact OE1-NH2 2.7Å; E86-R99 PolarHBondContact OE1-NH2 2.91Å; E86-R101 IonicContact OE1-CZ 2.66Å; E86-R101 IonicContact OE1-NH2 3.32Å; E86-R101 PolarHBondContact OE1-NH2 2.79Å | ||
| 87 | L | 33.5 | Very low | 35.4 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -75.2 | 92.5 | 171.6 | -80.6 | 168.4 | 0 | 0 | 0 | 110.8 | ||||
| 88 | I | 37.1 | Very low | 36.1 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 63% | 0.626 | 77% | 0.774 | S | S | * | * | trans | -89 | 121.1 | -177.4 | -63.4 | 179.4 | 0 | 0 | 0 | 111.9 | E86 | E86-I88 HydrophobicContact CB-CG1 4.3Å; E86-I88 HydrophobicContact CG-CD1 4.3Å; E86-I88 HydrophobicContact CG-CG1 3.82Å; E86-I88 PolarHBondContact O-N 2.89Å; E86-I88 VanDerWaalsContact O-N 3.1Å | ||
| 89 | S | 34.9 | Very low | 36.3 | Very low | 97 Ų | 97 | 145 Ų | 145 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | 49.6 | 92 | 152.1 | -56.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 90 | L | 34.2 | Very low | 36.5 | Very low | 178 Ų | 178 | 146.6 Ų | 146.6 | 93% | 0.932 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -114.5 | 30.6 | 154.4 | -75.9 | 179.6 | 0 | 0 | 0 | 113.7 | ||
| 91 | T | 37.4 | Very low | 36.8 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -137.9 | 81.7 | 166.3 | 41.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 92 | S | 37.2 | Very low | 36.9 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -61.1 | 143.2 | 157.2 | -167.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 93 | Q | 39.3 | Very low | 36.9 | Very low | 181 Ų | 181 | 150.3 Ų | 150.3 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 60.9 | 72.9 | -176.1 | -57.7 | -179.6 | -23.8 | 0 | 0 | 116.6 | ||
| 94 | R | 36 | Very low | 37.2 | Very low | 236 Ų | 236 | 153 Ų | 153 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | -164.1 | 126 | 124.9 | -106 | 162.7 | -162.6 | -110.4 | 0.8 | 111.4 | |||||
| 95 | Q | 41.2 | Very low | 37.4 | Very low | 185 Ų | 185 | 152.9 Ų | 152.9 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -75.9 | 168.7 | 168.2 | -70.3 | 165.3 | -28.8 | 0 | 0 | 110 | ||||
| 96 | S | 41.8 | Very low | 37.7 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | 63.2 | 64.4 | 176.3 | 75.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 97 | I | 39.9 | Very low | 37.8 | Very low | 148 Ų | 148 | 150.6 Ų | 150.6 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -133.4 | 135.1 | 153 | -58.6 | -178.7 | 0 | 0 | 0 | 108.7 | ||||
| 98 | P | 45.2 | Very low | 38.2 | Very low | 92 Ų | 92 | 148.2 Ų | 148.2 | 60% | 0.597 | 76% | 0.762 | S | S | * | * | trans | -67 | 138.1 | -179.9 | -21.5 | 33.8 | 0 | 0 | 0 | 114.2 | Y100 | P98-Y100 HydrophobicContact CB-CE2 4.14Å; P98-Y100 PolarHBondContact O-N 3.46Å | ||
| 99 | R | 36.6 | Very low | 38.2 | Very low | 194 Ų | 194 | 146.1 Ų | 146.1 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | trans | -79 | 108.3 | 171.6 | -69 | -178.7 | 71.7 | 170.7 | 2.6 | 110.4 | E86 | E86-R99 IonicContact OE1-CZ 3.91Å; E86-R99 IonicContact OE1-NH2 2.7Å; E86-R99 PolarHBondContact OE1-NH2 2.91Å | ||
| 100 | Y | 34.4 | Very low | 38.3 | Very low | 183 Ų | 183 | 150 Ų | 150 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 127.2 | 165.1 | -62.6 | -76.9 | 0 | 0 | 0 | 109.8 | P98 | P98-Y100 HydrophobicContact CB-CE2 4.14Å; P98-Y100 PolarHBondContact O-N 3.46Å |
| 101 | R | 37.7 | Very low | 38.7 | Very low | 169 Ų | 169 | 149.7 Ų | 149.7 | 64% | 0.638 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 128.6 | 168.5 | -81.2 | -176.1 | 169.9 | 165.1 | -4.3 | 109.3 | E86 | E86-R101 IonicContact OE1-CZ 2.66Å; E86-R101 IonicContact OE1-NH2 3.32Å; E86-R101 PolarHBondContact OE1-NH2 2.79Å |
| 102 | L | 34.1 | Very low | 38.7 | Very low | 177 Ų | 177 | 147 Ų | 147 | 93% | 0.927 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 139.2 | 165.9 | -88.5 | 157.9 | 0 | 0 | 0 | 109.1 | ||
| 103 | R | 35.5 | Very low | 38.6 | Very low | 206 Ų | 206 | 151 Ų | 151 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 138.1 | 166.7 | -63.8 | -178.2 | -171.4 | 145.8 | 0.6 | 108.7 | D105 | R103-D105 VanDerWaalsContact C-N 3.31Å; R103-D105 PolarHBondContact O-N 2.99Å |
| 104 | V | 42.9 | Very low | 38.6 | Very low | 143 Ų | 143 | 154 Ų | 154 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -82.6 | 85.5 | 158.7 | -178.2 | 0 | 0 | 0 | 0 | 106.7 | P106 | V104-P106 WeakPolarHBondContact O-CD 3.26Š| ||
| 105 | D | 34.9 | Very low | 38.9 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 56% | 0.556 | 75% | 0.746 | S | S | * | * | trans | -66.2 | 123.3 | 172.2 | -71.6 | -28.6 | 0 | 0 | 0 | 108.3 | R103 C107 | R103-D105 VanDerWaalsContact C-N 3.31Å; R103-D105 PolarHBondContact O-N 2.99Å; D105-C107 VanDerWaalsContact C-N 3.28Å; D105-C107 PolarHBondContact O-N 3.28Å | ||
| 106 | P | 45.1 | Very low | 39.3 | Very low | 99 Ų | 99 | 147 Ų | 147 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | trans | -78.8 | 75.3 | -173.8 | 31.5 | -35.6 | 0 | 0 | 0 | 111.4 | V104 T108 A109 | V104-P106 WeakPolarHBondContact O-CD 3.26Å; P106-T108 PolarHBondContact O-N 3.41Å; P106-A109 PolarHBondContact O-N 2.87Å | ||
| 107 | C | 34.9 | Very low | 39.9 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 7 | -178.8 | -64.5 | 0 | 0 | 0 | 0 | 115.4 | D105 | D105-C107 VanDerWaalsContact C-N 3.28Å; D105-C107 PolarHBondContact O-N 3.28Å |
| 108 | T | 41.1 | Very low | 40.2 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 19.6 | 175.6 | 52 | 0 | 0 | 0 | 0 | 113.5 | P106 F110 | P106-T108 PolarHBondContact O-N 3.41Å; T108-F110 PolarHBondContact O-N 3.32Å |
| 109 | A | 38.8 | Very low | 40 | Very low | 77 Ų | 77 | 152.5 Ų | 152.5 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | trans | -70.8 | 46.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P106 L111 | P106-A109 PolarHBondContact O-N 2.87Å; A109-L111 PolarHBondContact O-N 3.34Å | ||
| 110 | F | 36.6 | Very low | 40.5 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | -71.8 | 85.4 | 175.1 | -95.6 | -87 | 0 | 0 | 0 | 111.1 | T108 G112 | T108-F110 PolarHBondContact O-N 3.32Å; F110-G112 PolarHBondContact O-N 2.81Å | ||
| 111 | L | 42.3 | Very low | 41 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 90% | 0.901 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 96.8 | 163.9 | -88.7 | 64.8 | 0 | 0 | 0 | 109.1 | A109 | A109-L111 PolarHBondContact O-N 3.34Š|
| 112 | G | 36.4 | Very low | 41.2 | Very low | 65 Ų | 65 | 142.8 Ų | 142.8 | 67% | 0.67 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -175.9 | -50.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | F110 | F110-G112 PolarHBondContact O-N 2.81Š|
| 113 | Y | 36.8 | Very low | 41.6 | Very low | 202 Ų | 202 | 143 Ų | 143 | 79% | 0.792 | 71% | 0.71 | S | S | * | * | trans | -99.6 | 116.1 | -167.4 | -79.7 | -89.5 | 0 | 0 | 0 | 113.9 | ||||
| 114 | R | 38.4 | Very low | 42.2 | Very low | 246 Ų | 246 | 138.7 Ų | 138.7 | 93% | 0.928 | 70% | 0.701 | S | S | * | * | trans | -93.6 | 25.5 | 177.2 | -87.2 | -169.1 | 169.3 | -149 | 0.1 | 114.1 | K116 | R114-K116 PolarHBondContact O-N 3.49Š| ||
| 115 | N | 41.5 | Very low | 42.2 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 50% | 0.503 | 69% | 0.693 | S | S | . | * | trans | -66.1 | 132.9 | 178.7 | -73.3 | 11.9 | 0 | 0 | 0 | 110.7 | D117 F118 | N115-D117 VanDerWaalsContact C-N 3.28Å; N115-D117 PolarHBondContact O-N 2.84Å; N115-F118 HydrophobicContact CB-CD2 4.28Å; N115-F118 HydrophobicContact CB-CE2 4.48Å | ||
| 116 | K | 49.8 | Very low | 42.5 | Very low | 178 Ų | 178 | 141.3 Ų | 141.3 | 77% | 0.774 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -71.9 | -26.9 | -173.8 | -69.6 | -179.2 | 177.9 | 178.2 | 0 | 112.3 | R114 F118 R119 | R114-K116 PolarHBondContact O-N 3.49Å; K116-F118 VanDerWaalsContact C-N 3.33Å; K116-F118 PolarHBondContact O-N 2.86Å; K116-R119 WeakPolarHBondContact O-CB 3.47Å; K116-R119 PolarHBondContact O-N 3.13Å; K116-R119 VanDerWaalsContact O-N 3.07Å |
| 117 | D | 56.2 | Low | 42.4 | Very low | 114 Ų | 114 | 141 Ų | 141 | 61% | 0.61 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -33 | -159.7 | -35.4 | -65.4 | 0 | 0 | 0 | 111.8 | N115 R119 S120 | N115-D117 VanDerWaalsContact C-N 3.28Å; N115-D117 PolarHBondContact O-N 2.84Å; D117-R119 PolarHBondContact O-N 2.87Å; D117-R119 VanDerWaalsContact O-N 3.15Å; D117-S120 PolarHBondContact O-N 2.8Å |
| 118 | F | 45.4 | Very low | 42.7 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 68% | 0.68 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -68.6 | -7.8 | 175.8 | -66.4 | -76.6 | 0 | 0 | 0 | 114.7 | N115 K116 | N115-F118 HydrophobicContact CB-CD2 4.28Å; N115-F118 HydrophobicContact CB-CE2 4.48Å; K116-F118 VanDerWaalsContact C-N 3.33Å; K116-F118 PolarHBondContact O-N 2.86Å |
| 119 | R | 40.5 | Very low | 42.7 | Very low | 209 Ų | 209 | 142.2 Ų | 142.2 | 79% | 0.789 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69.8 | -31.4 | 172.9 | -77.4 | -169.7 | 164.3 | -143.1 | -4.4 | 112.8 | K116 D117 | K116-R119 WeakPolarHBondContact O-CB 3.47Å; K116-R119 PolarHBondContact O-N 3.13Å; K116-R119 VanDerWaalsContact O-N 3.07Å; D117-R119 PolarHBondContact O-N 2.87Å; D117-R119 VanDerWaalsContact O-N 3.15Å |
| 120 | S | 46.9 | Very low | 42.9 | Very low | 77 Ų | 77 | 143.5 Ų | 143.5 | 54% | 0.538 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -71.8 | -44.6 | -179.8 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | D117 R122 R123 | D117-S120 PolarHBondContact O-N 2.8Å; S120-R122 PolarHBondContact O-N 3.01Å; S120-R122 VanDerWaalsContact O-N 3.12Å; S120-R123 PolarHBondContact O-N 3.24Å |
| 121 | A | 44.5 | Very low | 43.2 | Very low | 57 Ų | 57 | 143.2 Ų | 143.2 | 47% | 0.471 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -57 | -28.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R123 | A121-R123 VanDerWaalsContact C-N 3.35Å; A121-R123 PolarHBondContact O-N 2.72Å |
| 122 | R | 42.2 | Very low | 43 | Very low | 209 Ų | 209 | 143.4 Ų | 143.4 | 79% | 0.789 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -78.9 | -9.4 | 179.3 | -161 | -178.1 | -78.2 | -144.1 | -1.6 | 114.2 | S120 | S120-R122 PolarHBondContact O-N 3.01Å; S120-R122 VanDerWaalsContact O-N 3.12Å |
| 123 | R | 43.9 | Very low | 43.4 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 68% | 0.679 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -86.4 | -44.4 | 172.4 | -78.9 | -164.5 | -90.5 | -158.2 | 2.1 | 112.4 | S120 A121 T125 R126 | S120-R123 PolarHBondContact O-N 3.24Å; A121-R123 VanDerWaalsContact C-N 3.35Å; A121-R123 PolarHBondContact O-N 2.72Å; R123-T125 PolarHBondContact O-N 2.86Å; R123-R126 PolarHBondContact O-N 2.86Å |
| 124 | I | 46.9 | Very low | 43.6 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 60% | 0.6 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -51.3 | -39.1 | -175.2 | -60.2 | 172.8 | 0 | 0 | 0 | 112.5 | R126 F128 | I124-R126 PolarHBondContact O-N 3.33Å; I124-F128 WeakPolarHBondContact O-CD2 3.38Å |
| 125 | T | 43.3 | Very low | 43.6 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 70% | 0.699 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80.3 | -8.9 | -178.7 | 53.3 | 0 | 0 | 0 | 0 | 115.4 | R123 | R123-T125 PolarHBondContact O-N 2.86Å |
| 126 | R | 40.9 | Very low | 43.5 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 71% | 0.709 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -90.8 | -36.9 | -176.9 | -152.4 | -179.3 | 78.4 | 135.9 | 3.8 | 113 | R123 I124 S129 | R123-R126 PolarHBondContact O-N 2.86Å; I124-R126 PolarHBondContact O-N 3.33Å; R126-S129 PolarHBondContact O-N 3.42Å |
| 127 | D | 43.7 | Very low | 43.1 | Very low | 93 Ų | 93 | 136.2 Ų | 136.2 | 50% | 0.497 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -86.4 | -14.9 | -164.6 | -55.6 | -33.3 | 0 | 0 | 0 | 113.2 | S129 S130 | D127-S129 PolarHBondContact O-N 2.87Å; D127-S130 PolarHBondContact O-N 3.46Å |
| 128 | F | 41.4 | Very low | 42.4 | Very low | 154 Ų | 154 | 136 Ų | 136 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -56.9 | -29.6 | 166.9 | -85.4 | -85.4 | 0 | 0 | 0 | 113.1 | I124 S130 | I124-F128 WeakPolarHBondContact O-CD2 3.38Å; F128-S130 PolarHBondContact O-N 3.31Å; F128-S130 VanDerWaalsContact O-N 3.16Å |
| 129 | S | 41.3 | Very low | 42.5 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -69.6 | -8.8 | -179.1 | -167.5 | 0 | 0 | 0 | 0 | 113.9 | R126 D127 | R126-S129 PolarHBondContact O-N 3.42Å; D127-S129 PolarHBondContact O-N 2.87Å |
| 130 | S | 41.3 | Very low | 42.7 | Very low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -102.9 | -11.5 | -170.4 | -167.6 | 0 | 0 | 0 | 0 | 115.5 | D127 F128 | D127-S130 PolarHBondContact O-N 3.46Å; F128-S130 PolarHBondContact O-N 3.31Å; F128-S130 VanDerWaalsContact O-N 3.16Å |
| 131 | K | 44.3 | Very low | 42.1 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | -12.2 | -173.3 | -78.2 | -175.3 | 174.9 | 178 | 0 | 115.9 | ||
| 132 | Y | 37.6 | Very low | 41.7 | Very low | 177 Ų | 177 | 135.6 Ų | 135.6 | 69% | 0.694 | 70% | 0.696 | S | S | * | * | trans | -136 | 108.9 | -179 | -61.4 | -77 | 0 | 0 | 0 | 111.2 | L134 | Y132-L134 PolarHBondContact O-N 3.5Š| ||
| 133 | P | 43.9 | Very low | 41.2 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 81% | 0.812 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 122.7 | 172.5 | -16.2 | 30.4 | 0 | 0 | 0 | 110.2 | ||
| 134 | L | 41.7 | Very low | 40.9 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 77% | 0.77 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 139.2 | 174 | -81.6 | 82.7 | 0 | 0 | 0 | 110.8 | Y132 | Y132-L134 PolarHBondContact O-N 3.5Š|
| 135 | P | 38.2 | Very low | 40.3 | Very low | 89 Ų | 89 | 127.4 Ų | 127.4 | 58% | 0.578 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -60 | 146 | 175 | -23.6 | 33.9 | 0 | 0 | 0 | 113 | E140 | P135-E140 WeakPolarHBondContact CB-OE2 3.4Å; P135-E140 VanDerWaalsContact CG-OE2 3.22Å; P135-E140 WeakPolarHBondContact CG-OE2 3.45Å |
| 136 | K | 38.9 | Very low | 39.8 | Very low | 209 Ų | 209 | 133.5 Ų | 133.5 | 91% | 0.909 | 71% | 0.708 | S | S | * | * | trans | -110.4 | 24.1 | -170.6 | -62.8 | -175.1 | 178.7 | 178.8 | 0 | 114 | ||||
| 137 | S | 41.8 | Very low | 39.5 | Very low | 63 Ų | 63 | 132.1 Ų | 132.1 | 44% | 0.441 | 71% | 0.713 | S | S | . | * | S | Bend | trans | -145.2 | 132.1 | -175.1 | 44.5 | 0 | 0 | 0 | 0 | 113.1 | S139 | S137-S139 PolarHBondContact O-N 2.79Š|
| 138 | S | 42 | Very low | 38.8 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 2.6 | -171.3 | -40.8 | 0 | 0 | 0 | 0 | 116.2 | ||
| 139 | S | 46.3 | Very low | 38.3 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 66% | 0.657 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -16.3 | -177.2 | 43.3 | 0 | 0 | 0 | 0 | 114.5 | S137 | S137-S139 PolarHBondContact O-N 2.79Š|
| 140 | E | 45.6 | Very low | 37.9 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 58% | 0.579 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -96.8 | -11.9 | -171.6 | -65.4 | 177.1 | -176.3 | 0 | 0 | 113.9 | P135 T142 | P135-E140 WeakPolarHBondContact CB-OE2 3.4Å; P135-E140 VanDerWaalsContact CG-OE2 3.22Å; P135-E140 WeakPolarHBondContact CG-OE2 3.45Å; E140-T142 PolarHBondContact O-N 3.19Å; E140-T142 VanDerWaalsContact O-N 3.07Å |
| 141 | L | 33.8 | Very low | 37.5 | Very low | 150 Ų | 150 | 134 Ų | 134 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 22.3 | -171.9 | -72.1 | 170.1 | 0 | 0 | 0 | 115.2 | ||
| 142 | T | 36.5 | Very low | 36.9 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -12.9 | -172.6 | -42.9 | 0 | 0 | 0 | 0 | 114 | E140 | E140-T142 PolarHBondContact O-N 3.19Å; E140-T142 VanDerWaalsContact O-N 3.07Å |
| 143 | T | 33 | Very low | 36.7 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | -139.4 | 80 | -174.4 | -47.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 144 | I | 36.7 | Very low | 36.2 | Very low | 166 Ų | 166 | 131 Ų | 131 | 85% | 0.851 | 73% | 0.728 | S | S | * | * | trans | -97.2 | 74.4 | 157 | -55 | -178.2 | 0 | 0 | 0 | 107.6 | ||||
| 145 | G | 34 | Very low | 35.8 | Very low | 45 Ų | 45 | 131.5 Ų | 131.5 | 46% | 0.464 | 73% | 0.731 | S | S | . | * | trans | -79.9 | 150.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I147 | G145-I147 PolarHBondContact O-N 2.85Š| ||
| 146 | Y | 33.3 | Very low | 35.6 | Very low | 242 Ų | 242 | 134 Ų | 134 | 95% | 0.949 | 74% | 0.735 | S | S | * | * | trans | -57.8 | 108.7 | 177.9 | -83.1 | -110.8 | 0 | 0 | 0 | 111.2 | S148 | Y146-S148 PolarHBondContact O-N 3.23Š| ||
| 147 | I | 34.5 | Very low | 35.1 | Very low | 159 Ų | 159 | 133 Ų | 133 | 82% | 0.815 | 73% | 0.725 | S | S | * | * | trans | -86.6 | 96.3 | 166.1 | -59.9 | 179.4 | 0 | 0 | 0 | 107.2 | G145 | G145-I147 PolarHBondContact O-N 2.85Š| ||
| 148 | S | 29.2 | Very low | 34.6 | Very low | 72 Ų | 72 | 135.8 Ų | 135.8 | 50% | 0.503 | 74% | 0.74 | S | S | . | * | trans | -80.9 | 114.5 | 165.3 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | Y146 Y150 | Y146-S148 PolarHBondContact O-N 3.23Å; S148-Y150 PolarHBondContact O-N 3.05Å; S148-Y150 VanDerWaalsContact OG-CE2 3.31Å; S148-Y150 WeakPolarHBondContact OG-CE2 3.44Å; S148-Y150 PolarHBondContact OG-OH 3.35Å; S148-Y150 VanDerWaalsContact OG-OH 3.06Å | ||
| 149 | S | 31.5 | Very low | 34.2 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | trans | -87.4 | 105 | -172.9 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 150 | Y | 32.3 | Very low | 33.6 | Very low | 186 Ų | 186 | 138.4 Ų | 138.4 | 73% | 0.729 | 74% | 0.737 | S | S | * | * | trans | -108.7 | 167.8 | 165.9 | -50.3 | -72.4 | 0 | 0 | 0 | 110.4 | S148 | S148-Y150 PolarHBondContact O-N 3.05Å; S148-Y150 VanDerWaalsContact OG-CE2 3.31Å; S148-Y150 WeakPolarHBondContact OG-CE2 3.44Å; S148-Y150 PolarHBondContact OG-OH 3.35Å; S148-Y150 VanDerWaalsContact OG-OH 3.06Å | ||
| 151 | T | 32.6 | Very low | 33.4 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | trans | 66 | 89.6 | 177.4 | 69.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 152 | T | 31.6 | Very low | 33.3 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -65.7 | 143.3 | 148.7 | 42.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 153 | N | 33 | Very low | 33.3 | Very low | 165 Ų | 165 | 139 Ų | 139 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | trans | 179.9 | 93.6 | 147.8 | -97.4 | -31.8 | 0 | 0 | 0 | 111.6 | ||||
| 154 | P | 33.5 | Very low | 33.5 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | -100.4 | 122.7 | 172.6 | 34.3 | -26.8 | 0 | 0 | 0 | 111.8 | ||||
| 155 | L | 32.7 | Very low | 33.6 | Very low | 159 Ų | 159 | 142 Ų | 142 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -172.4 | 141.6 | 157.8 | -110.3 | 158.6 | 0 | 0 | 0 | 112.5 | ||||
| 156 | Q | 34.1 | Very low | 33.8 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 66% | 0.659 | 75% | 0.753 | S | S | * | * | trans | 71.5 | 142.9 | 165.1 | -63.3 | -171.1 | 67.3 | 0 | 0 | 117.5 | ||||
| 157 | R | 29.8 | Very low | 34.2 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | cis | -169.5 | 123.7 | -9 | 164.1 | -166.9 | -65.7 | -107.4 | 3.8 | 110.6 | ||||
| 158 | T | 31.7 | Very low | 34.5 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | 57.2 | 169.7 | 160.4 | 70.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 159 | T | 32.1 | Very low | 34.8 | Very low | 102 Ų | 102 | 147.4 Ų | 147.4 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | cis | -151.4 | 165.6 | 6.2 | -23.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 160 | E | 35 | Very low | 35.3 | Very low | 157 Ų | 157 | 146.1 Ų | 146.1 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | 69 | 140.4 | 158.3 | -70.1 | 148.7 | -113.4 | 0 | 0 | 117 | ||||
| 161 | L | 40.1 | Very low | 35.6 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | cis | -129 | 170.9 | 12.7 | -70.2 | 168.2 | 0 | 0 | 0 | 112.8 | ||||
| 162 | N | 31.5 | Very low | 36 | Very low | 143 Ų | 143 | 148.2 Ų | 148.2 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | -110.7 | 151 | -167.9 | -42.7 | -37.3 | 0 | 0 | 0 | 114.8 | ||||
| 163 | S | 37.7 | Very low | 36.6 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 179 | 124.3 | 137.3 | 50 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 164 | E | 36.1 | Very low | 36.9 | Very low | 174 Ų | 174 | 149 Ų | 149 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | 61.3 | 122.4 | 60.8 | -57.7 | 170.8 | 151.4 | 0 | 0 | 109.9 | |||||
| 165 | E | 39 | Very low | 37.2 | Very low | 177 Ų | 177 | 149.9 Ų | 149.9 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | cis | -144.7 | 165.7 | 19.4 | -95.2 | -168.6 | 127.7 | 0 | 0 | 109.5 | ||||
| 166 | D | 39.2 | Very low | 37.9 | Very low | 104 Ų | 104 | 149.6 Ų | 149.6 | 56% | 0.556 | 77% | 0.773 | S | S | * | * | cis | -174 | 171.6 | -15 | -171.8 | 16.4 | 0 | 0 | 0 | 110.6 | ||||
| 167 | R | 40.4 | Very low | 38.3 | Very low | 208 Ų | 208 | 147.5 Ų | 147.5 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 63.3 | 114 | 152.7 | -103.3 | 171.6 | -91.4 | -129.1 | -14.1 | 122.7 | ||||
| 168 | S | 41.3 | Very low | 39.3 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | 134.4 | 69.5 | 114.1 | -168.1 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 169 | E | 35.9 | Very low | 40.2 | Very low | 203 Ų | 203 | 145.7 Ų | 145.7 | 95% | 0.949 | 78% | 0.779 | S | S | * | * | trans | -83.9 | 159.7 | 166.7 | -68 | -179.3 | 164.2 | 0 | 0 | 112.8 | ||||
| 170 | G | 41.3 | Very low | 41.9 | Very low | 72 Ų | 72 | 144.8 Ų | 144.8 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -170.6 | 113.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 171 | E | 38.7 | Very low | 44 | Very low | 198 Ų | 198 | 141.1 Ų | 141.1 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | trans | 66.2 | 62.2 | 162.8 | -60.2 | 177.3 | -157.7 | 0 | 0 | 117.7 | ||||
| 172 | D | 40.6 | Very low | 45.8 | Very low | 172 Ų | 172 | 138 Ų | 138 | 92% | 0.92 | 75% | 0.746 | S | S | * | * | trans | -101.7 | 123.8 | 152.1 | -85.7 | -50.7 | 0 | 0 | 0 | 109.7 | ||||
| 173 | E | 44.3 | Very low | 48 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | -129.3 | 133.8 | 170.8 | -71.2 | -162.6 | 162.5 | 0 | 0 | 112 | ||||
| 174 | N | 40.3 | Very low | 50 | Low | 137 Ų | 137 | 137.2 Ų | 137.2 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | trans | 70.5 | 61.1 | 169.9 | -43.8 | -79.7 | 0 | 0 | 0 | 117.3 | ||||
| 175 | D | 39.6 | Very low | 52.2 | Low | 133 Ų | 133 | 133.6 Ų | 133.6 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | trans | -109.2 | 51.1 | 159.3 | -158 | 3.2 | 0 | 0 | 0 | 112.4 | T177 | D175-T177 PolarHBondContact O-N 3Å; D175-T177 WeakPolarHBondContact OD1-CB 3.44Å; D175-T177 WeakPolarHBondContact OD1-CG2 3.3Å; D175-T177 PolarHBondContact OD1-OG1 3.3Å | ||
| 176 | D | 46.9 | Very low | 54.4 | Low | 154 Ų | 154 | 130.3 Ų | 130.3 | 82% | 0.824 | 70% | 0.696 | S | S | * | * | trans | -69.7 | 26.7 | 170.7 | -76.1 | -46.5 | 0 | 0 | 0 | 112.7 | L178 | D176-L178 PolarHBondContact O-N 2.99Š| ||
| 177 | T | 43.9 | Very low | 56.4 | Low | 97 Ų | 97 | 130.1 Ų | 130.1 | 60% | 0.595 | 70% | 0.695 | S | S | * | * | trans | -84.7 | 114 | -170.9 | 70.8 | 0 | 0 | 0 | 0 | 112.6 | D175 | D175-T177 PolarHBondContact O-N 3Å; D175-T177 WeakPolarHBondContact OD1-CB 3.44Å; D175-T177 WeakPolarHBondContact OD1-CG2 3.3Å; D175-T177 PolarHBondContact OD1-OG1 3.3Å | ||
| 178 | L | 50.4 | Low | 58.5 | Low | 144 Ų | 144 | 123 Ų | 123 | 75% | 0.754 | 68% | 0.675 | S | S | * | * | trans | 77.1 | 47.4 | 158.4 | -54.6 | 151.8 | 0 | 0 | 0 | 117.5 | D176 L180 | D176-L178 PolarHBondContact O-N 2.99Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L178-L180 HydrophobicContact CB-CD1 4.25Å; L178-L180 PolarHBondContact O-N 3.42Å; L178-L180 VanDerWaalsContact O-N 3.11Å | ||
| 179 | S | 50.8 | Low | 60.6 | Low | 127 Ų | 127 | 122.3 Ų | 122.3 | 89% | 0.888 | 66% | 0.662 | S | S | * | * | trans | -75.9 | 83.9 | 154.6 | -70.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 180 | L | 67.5 | Low | 63 | Low | 83 Ų | 83 | 117.1 Ų | 117.1 | 44% | 0.435 | 64% | 0.64 | S | S | . | * | trans | -68 | 138.4 | 174.1 | -70.1 | 104.5 | 0 | 0 | 0 | 111.1 | L178 Q184 I185 | L178-L180 VanDerWaalsContact C-N 3.35Å; L178-L180 HydrophobicContact CB-CD1 4.25Å; L178-L180 PolarHBondContact O-N 3.42Å; L178-L180 VanDerWaalsContact O-N 3.11Å; L180-Q184 HydrophobicContact CB-CB 4.16Å; L180-Q184 HydrophobicContact CD2-CB 3.99Å; L180-I185 HydrophobicContact CB-CG1 4.04Å | ||
| 181 | T | 78.5 | Confident | 65.2 | Low | 81 Ų | 81 | 121.2 Ų | 121.2 | 50% | 0.497 | 63% | 0.634 | S | S | . | * | trans | -66.7 | 155.3 | 173.4 | 21.5 | 0 | 0 | 0 | 0 | 111.7 | E183 Q184 I185 | T181-E183 VanDerWaalsContact C-N 3.27Å; T181-E183 PolarHBondContact O-N 3.34Å; T181-Q184 WeakPolarHBondContact O-CA 3.25Å; T181-Q184 WeakPolarHBondContact O-CB 3.46Å; T181-Q184 PolarHBondContact O-N 2.81Å; T181-Q184 VanDerWaalsContact OG1-CD 3.23Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.32Å; T181-Q184 PolarHBondContact OG1-OE1 3.41Å; T181-I185 PolarHBondContact O-N 3.15Å | ||
| 182 | T | 77.6 | Confident | 67.6 | Low | 97 Ų | 97 | 118.4 Ų | 118.4 | 60% | 0.595 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -52.3 | -44.9 | 179 | -38.4 | 0 | 0 | 0 | 0 | 112.3 | Q184 I185 E186 | T182-Q184 VanDerWaalsContact C-N 3.3Å; T182-Q184 PolarHBondContact O-N 3.19Å; T182-I185 WeakPolarHBondContact O-CA 3.41Å; T182-I185 WeakPolarHBondContact O-CB 3.23Å; T182-I185 PolarHBondContact O-N 2.94Å; T182-I185 VanDerWaalsContact O-N 3.08Å; T182-E186 WeakPolarHBondContact O-CG 3.49Å; T182-E186 PolarHBondContact O-N 2.95Å |
| 183 | E | 77.1 | Confident | 69.8 | Low | 135 Ų | 135 | 114.1 Ų | 114.1 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59.9 | -35.8 | 174.6 | -179.7 | -176.7 | -169.8 | 0 | 0 | 112.9 | T181 N187 | T181-E183 VanDerWaalsContact C-N 3.27Å; T181-E183 PolarHBondContact O-N 3.34Å; E183-N187 WeakPolarHBondContact O-CB 3.35Å; E183-N187 PolarHBondContact O-N 2.85Å; E183-N187 PolarHBondContact O-ND2 3.47Å |
| 184 | Q | 81.1 | Confident | 71.7 | Confident | 95 Ų | 95 | 111.1 Ų | 111.1 | 44% | 0.444 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.3 | -35.2 | 174.5 | -68.2 | 176.8 | -13.2 | 0 | 0 | 111.7 | L180 T181 T182 T188 | L180-Q184 HydrophobicContact CB-CB 4.16Å; L180-Q184 HydrophobicContact CD2-CB 3.99Å; T181-Q184 WeakPolarHBondContact O-CA 3.25Å; T181-Q184 WeakPolarHBondContact O-CB 3.46Å; T181-Q184 PolarHBondContact O-N 2.81Å; T181-Q184 VanDerWaalsContact OG1-CD 3.23Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.32Å; T181-Q184 PolarHBondContact OG1-OE1 3.41Å; T182-Q184 VanDerWaalsContact C-N 3.3Å; T182-Q184 PolarHBondContact O-N 3.19Å; Q184-T188 WeakPolarHBondContact O-CB 3.46Å; Q184-T188 PolarHBondContact O-N 3.31Å; Q184-T188 PolarHBondContact O-OG1 2.88Å |
| 185 | I | 82.2 | Confident | 73.9 | Confident | 98 Ų | 98 | 106.7 Ų | 106.7 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.9 | -43.9 | 174.1 | -63 | 169.1 | 0 | 0 | 0 | 109.8 | L180 T181 T182 T188 L189 | L180-I185 HydrophobicContact CB-CG1 4.04Å; T181-I185 PolarHBondContact O-N 3.15Å; T182-I185 WeakPolarHBondContact O-CA 3.41Å; T182-I185 WeakPolarHBondContact O-CB 3.23Å; T182-I185 PolarHBondContact O-N 2.94Å; T182-I185 VanDerWaalsContact O-N 3.08Å; I185-T188 PolarHBondContact O-N 2.86Å; I185-L189 WeakPolarHBondContact O-CB 3.32Å; I185-L189 PolarHBondContact O-N 2.94Å |
| 186 | E | 83.9 | Confident | 76.1 | Confident | 108 Ų | 108 | 102 Ų | 102 | 51% | 0.505 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.5 | -51.3 | 176.2 | -72.4 | 166.9 | 175.9 | 0 | 0 | 111.6 | T182 T188 L189 D190 | T182-E186 WeakPolarHBondContact O-CG 3.49Å; T182-E186 PolarHBondContact O-N 2.95Å; E186-T188 VanDerWaalsContact C-N 3.26Å; E186-T188 PolarHBondContact O-N 3.31Å; E186-L189 WeakPolarHBondContact O-CB 3.05Å; E186-L189 PolarHBondContact O-N 2.8Å; E186-L189 VanDerWaalsContact O-N 3.11Å; E186-D190 PolarHBondContact O-N 3.39Å |
| 187 | N | 81.7 | Confident | 77.8 | Confident | 100 Ų | 100 | 99.5 Ų | 99.5 | 54% | 0.535 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.3 | -32.7 | 174.8 | -81.5 | -77.8 | 0 | 0 | 0 | 112.9 | E183 Y191 | E183-N187 WeakPolarHBondContact O-CB 3.35Å; E183-N187 PolarHBondContact O-N 2.85Å; E183-N187 PolarHBondContact O-ND2 3.47Å; N187-Y191 WeakPolarHBondContact O-CB 3.2Å; N187-Y191 PolarHBondContact O-N 3.42Å |
| 188 | T | 84.7 | Confident | 79.7 | Confident | 58 Ų | 58 | 103 Ų | 103 | 36% | 0.356 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.9 | -38.6 | 174.7 | -63 | 0 | 0 | 0 | 0 | 111.3 | Q184 I185 E186 Y191 F192 | Q184-T188 WeakPolarHBondContact O-CB 3.46Å; Q184-T188 PolarHBondContact O-N 3.31Å; Q184-T188 PolarHBondContact O-OG1 2.88Å; I185-T188 PolarHBondContact O-N 2.86Å; E186-T188 VanDerWaalsContact C-N 3.26Å; E186-T188 PolarHBondContact O-N 3.31Å; T188-Y191 PolarHBondContact O-N 2.85Å; T188-F192 HydrophobicContact CG2-CD2 3.78Å; T188-F192 HydrophobicContact CG2-CE2 3.44Å; T188-F192 VanDerWaalsContact CG2-CE2 3.44Å; T188-F192 HydrophobicContact CG2-CZ 4.37Å; T188-F192 WeakPolarHBondContact O-CD2 3.31Å; T188-F192 PolarHBondContact O-N 2.86Å |
| 189 | L | 86.1 | Confident | 81.2 | Confident | 103 Ų | 103 | 100.9 Ų | 100.9 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 173.9 | -167.8 | 81.5 | 0 | 0 | 0 | 110.5 | I185 E186 Y191 F192 I193 | I185-L189 WeakPolarHBondContact O-CB 3.32Å; I185-L189 PolarHBondContact O-N 2.94Å; E186-L189 WeakPolarHBondContact O-CB 3.05Å; E186-L189 PolarHBondContact O-N 2.8Å; E186-L189 VanDerWaalsContact O-N 3.11Å; L189-Y191 PolarHBondContact O-N 3.01Å; L189-F192 CarbonylContact O-C 3.57Å; L189-F192 PolarHBondContact O-N 3.43Å; L189-F192 VanDerWaalsContact O-N 3.14Å; L189-I193 HydrophobicContact CD2-CD1 4.07Å; L189-I193 HydrophobicContact CG-CD1 3.86Å; L189-I193 WeakPolarHBondContact O-CB 3.24Å; L189-I193 VanDerWaalsContact O-CG1 3.3Å; L189-I193 WeakPolarHBondContact O-CG1 3.29Å; L189-I193 PolarHBondContact O-N 2.98Å |
| 190 | D | 84.9 | Confident | 82.6 | Confident | 93 Ų | 93 | 98.3 Ų | 98.3 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 175.2 | -94.1 | 9.1 | 0 | 0 | 0 | 111.4 | E186 F192 I193 L194 | E186-D190 PolarHBondContact O-N 3.39Å; D190-F192 VanDerWaalsContact C-N 3.34Å; D190-F192 PolarHBondContact O-N 2.94Å; D190-I193 PolarHBondContact O-N 3.19Å; D190-L194 HydrophobicContact CB-CD1 4.5Å; D190-L194 WeakPolarHBondContact O-CB 3.41Å; D190-L194 WeakPolarHBondContact O-CD1 3.36Å; D190-L194 PolarHBondContact O-N 2.97Å |
| 191 | Y | 87.2 | Confident | 83 | Confident | 159 Ų | 159 | 100.3 Ų | 100.3 | 62% | 0.624 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.2 | -43.4 | 172.9 | -179.2 | -97.4 | 0 | 0 | 0 | 112.1 | N187 T188 L189 C195 | N187-Y191 WeakPolarHBondContact O-CB 3.2Å; N187-Y191 PolarHBondContact O-N 3.42Å; T188-Y191 PolarHBondContact O-N 2.85Å; L189-Y191 PolarHBondContact O-N 3.01Å; Y191-C195 VanDerWaalsContact CZ-SG 3.58Å; Y191-C195 VanDerWaalsContact O-CB 3.28Å; Y191-C195 WeakPolarHBondContact O-CB 3.28Å; Y191-C195 PolarHBondContact O-N 3.05Å; Y191-C195 PolarHBondContact O-SG 3.17Å |
| 192 | F | 89.3 | Confident | 82.4 | Confident | 138 Ų | 138 | 101 Ų | 101 | 61% | 0.605 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.8 | -36.1 | 175.2 | -75 | -51.6 | 0 | 0 | 0 | 113 | T188 L189 D190 C195 G196 | T188-F192 HydrophobicContact CG2-CD2 3.78Å; T188-F192 HydrophobicContact CG2-CE2 3.44Å; T188-F192 VanDerWaalsContact CG2-CE2 3.44Å; T188-F192 HydrophobicContact CG2-CZ 4.37Å; T188-F192 WeakPolarHBondContact O-CD2 3.31Å; T188-F192 PolarHBondContact O-N 2.86Å; L189-F192 CarbonylContact O-C 3.57Å; L189-F192 PolarHBondContact O-N 3.43Å; L189-F192 VanDerWaalsContact O-N 3.14Å; D190-F192 VanDerWaalsContact C-N 3.34Å; D190-F192 PolarHBondContact O-N 2.94Å; F192-C195 PolarHBondContact O-N 2.84Å; F192-G196 PolarHBondContact O-N 3.39Å |
| 193 | I | 87.8 | Confident | 82.1 | Confident | 82 Ų | 82 | 98.2 Ų | 98.2 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.8 | -43.9 | 176.8 | -71.5 | 168.1 | 0 | 0 | 0 | 110.7 | L189 D190 G196 L197 | L189-I193 HydrophobicContact CD2-CD1 4.07Å; L189-I193 HydrophobicContact CG-CD1 3.86Å; L189-I193 WeakPolarHBondContact O-CB 3.24Å; L189-I193 VanDerWaalsContact O-CG1 3.3Å; L189-I193 WeakPolarHBondContact O-CG1 3.29Å; L189-I193 PolarHBondContact O-N 2.98Å; D190-I193 PolarHBondContact O-N 3.19Å; I193-G196 PolarHBondContact O-N 2.74Å; I193-L197 HydrophobicContact CG2-CD1 4.09Å; I193-L197 WeakPolarHBondContact O-CB 3.48Å; I193-L197 PolarHBondContact O-N 2.86Å |
| 194 | L | 84.9 | Confident | 81.6 | Confident | 112 Ų | 112 | 97.9 Ų | 97.9 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.7 | -38.1 | 173 | -90 | 84.9 | 0 | 0 | 0 | 111.7 | D190 R198 | D190-L194 HydrophobicContact CB-CD1 4.5Å; D190-L194 WeakPolarHBondContact O-CB 3.41Å; D190-L194 WeakPolarHBondContact O-CD1 3.36Å; D190-L194 PolarHBondContact O-N 2.97Å; L194-R198 WeakPolarHBondContact O-CB 3.3Å; L194-R198 PolarHBondContact O-N 2.81Å |
| 195 | C | 84.6 | Confident | 80.7 | Confident | 44 Ų | 44 | 97.9 Ų | 97.9 | 30% | 0.297 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 172.6 | -72.4 | 0 | 0 | 0 | 0 | 111.5 | Y191 F192 R198 V199 | Y191-C195 VanDerWaalsContact CZ-SG 3.58Å; Y191-C195 VanDerWaalsContact O-CB 3.28Å; Y191-C195 WeakPolarHBondContact O-CB 3.28Å; Y191-C195 PolarHBondContact O-N 3.05Å; Y191-C195 PolarHBondContact O-SG 3.17Å; F192-C195 PolarHBondContact O-N 2.84Å; C195-R198 PolarHBondContact O-N 2.84Å; C195-V199 WeakPolarHBondContact O-CB 3.4Å; C195-V199 WeakPolarHBondContact O-CG2 3.4Å; C195-V199 PolarHBondContact O-N 3.22Å |
| 196 | G | 86.1 | Confident | 79.7 | Confident | 35 Ų | 35 | 100.8 Ų | 100.8 | 36% | 0.361 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.7 | -51.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | F192 I193 R198 V199 S200 | F192-G196 PolarHBondContact O-N 3.39Å; I193-G196 PolarHBondContact O-N 2.74Å; G196-R198 VanDerWaalsContact C-N 3.34Å; G196-R198 PolarHBondContact O-N 3.33Å; G196-V199 PolarHBondContact O-N 3.3Å; G196-S200 WeakPolarHBondContact O-CB 3.46Å; G196-S200 PolarHBondContact O-N 3.05Å; G196-S200 PolarHBondContact O-OG 3.18Å |
| 197 | L | 83.9 | Confident | 78.7 | Confident | 100 Ų | 100 | 102.6 Ų | 102.6 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 175.2 | -88 | 163 | 0 | 0 | 0 | 112.5 | I193 S200 Q201 | I193-L197 HydrophobicContact CG2-CD1 4.09Å; I193-L197 WeakPolarHBondContact O-CB 3.48Å; I193-L197 PolarHBondContact O-N 2.86Å; L197-S200 PolarHBondContact O-N 3.03Å; L197-Q201 WeakPolarHBondContact O-CB 3.36Å; L197-Q201 VanDerWaalsContact O-CG 3.31Å; L197-Q201 WeakPolarHBondContact O-CG 3.38Å; L197-Q201 PolarHBondContact O-N 2.7Å |
| 198 | R | 82.7 | Confident | 78.5 | Confident | 171 Ų | 171 | 102.1 Ų | 102.1 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.4 | -39.6 | 177.5 | -177.7 | 173.7 | 175.2 | 164.9 | -0.1 | 112.2 | L194 C195 G196 Q201 M202 | L194-R198 WeakPolarHBondContact O-CB 3.3Å; L194-R198 PolarHBondContact O-N 2.81Å; C195-R198 PolarHBondContact O-N 2.84Å; G196-R198 VanDerWaalsContact C-N 3.34Å; G196-R198 PolarHBondContact O-N 3.33Å; R198-Q201 PolarHBondContact O-N 3.16Å; R198-M202 HydrophobicContact CG-SD 4.2Å; R198-M202 WeakPolarHBondContact O-CB 3.27Å; R198-M202 VanDerWaalsContact O-CG 3.28Å; R198-M202 WeakPolarHBondContact O-CG 3.47Å; R198-M202 PolarHBondContact O-N 2.9Å |
| 199 | V | 82.8 | Confident | 78.1 | Confident | 100 Ų | 100 | 104.5 Ų | 104.5 | 61% | 0.606 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.3 | -41.2 | 173.7 | 169.2 | 0 | 0 | 0 | 0 | 110.2 | C195 G196 M202 A203 | C195-V199 WeakPolarHBondContact O-CB 3.4Å; C195-V199 WeakPolarHBondContact O-CG2 3.4Å; C195-V199 PolarHBondContact O-N 3.22Å; G196-V199 PolarHBondContact O-N 3.3Å; V199-M202 PolarHBondContact O-N 3.44Å; V199-A203 WeakPolarHBondContact O-CB 3.31Å; V199-A203 PolarHBondContact O-N 3.2Å |
| 200 | S | 80.5 | Confident | 78 | Confident | 73 Ų | 73 | 105.5 Ų | 105.5 | 51% | 0.51 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 172.9 | -76.3 | 0 | 0 | 0 | 0 | 112.7 | G196 L197 A203 Q204 | G196-S200 WeakPolarHBondContact O-CB 3.46Å; G196-S200 PolarHBondContact O-N 3.05Å; G196-S200 PolarHBondContact O-OG 3.18Å; L197-S200 PolarHBondContact O-N 3.03Å; S200-A203 PolarHBondContact O-N 2.68Å; S200-Q204 WeakPolarHBondContact O-CB 3.38Å; S200-Q204 PolarHBondContact O-N 2.99Å |
| 201 | Q | 75.3 | Confident | 77.9 | Confident | 125 Ų | 125 | 103.1 Ų | 103.1 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.5 | -42.8 | 174.8 | -77.6 | 176.3 | 3.2 | 0 | 0 | 111.9 | L197 R198 Q204 T205 | L197-Q201 WeakPolarHBondContact O-CB 3.36Å; L197-Q201 VanDerWaalsContact O-CG 3.31Å; L197-Q201 WeakPolarHBondContact O-CG 3.38Å; L197-Q201 PolarHBondContact O-N 2.7Å; R198-Q201 PolarHBondContact O-N 3.16Å; Q201-Q204 PolarHBondContact O-N 3.35Å; Q201-T205 PolarHBondContact O-N 3.41Å; Q201-T205 PolarHBondContact O-OG1 3.36Å |
| 202 | M | 65.2 | Low | 77.8 | Confident | 96 Ų | 96 | 98.2 Ų | 98.2 | 47% | 0.473 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 174.9 | -70.8 | 179.9 | 67.7 | 0 | 0 | 111.3 | R198 V199 T205 Y206 | R198-M202 HydrophobicContact CG-SD 4.2Å; R198-M202 WeakPolarHBondContact O-CB 3.27Å; R198-M202 VanDerWaalsContact O-CG 3.28Å; R198-M202 WeakPolarHBondContact O-CG 3.47Å; R198-M202 PolarHBondContact O-N 2.9Å; V199-M202 PolarHBondContact O-N 3.44Å; M202-T205 WeakPolarHBondContact CA-OG1 3.14Å; M202-T205 PolarHBondContact O-N 3.26Å; M202-T205 PolarHBondContact O-OG1 3.4Å; M202-Y206 WeakPolarHBondContact O-CD2 3.4Å; M202-Y206 PolarHBondContact O-N 3.49Å |
| 203 | A | 71.4 | Confident | 77.6 | Confident | 37 Ų | 37 | 94.8 Ų | 94.8 | 31% | 0.306 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V199 S200 T205 Y206 E207 | V199-A203 WeakPolarHBondContact O-CB 3.31Å; V199-A203 PolarHBondContact O-N 3.2Å; S200-A203 PolarHBondContact O-N 2.68Å; A203-T205 VanDerWaalsContact C-N 3.31Å; A203-T205 PolarHBondContact O-N 2.65Å; A203-Y206 CarbonylContact O-C 3.58Å; A203-Y206 VanDerWaalsContact O-CA 3.28Å; A203-Y206 WeakPolarHBondContact O-CA 3.38Å; A203-Y206 WeakPolarHBondContact O-CB 3.44Å; A203-Y206 PolarHBondContact O-N 3.17Å; A203-E207 WeakPolarHBondContact O-CG 3.32Å; A203-E207 PolarHBondContact O-N 2.73Å |
| 204 | Q | 66.9 | Low | 77.6 | Confident | 129 Ų | 129 | 97.6 Ų | 97.6 | 60% | 0.603 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.6 | -30.5 | -179.9 | -166.3 | 162 | 32 | 0 | 0 | 112.3 | S200 Q201 Y206 E207 D208 | S200-Q204 WeakPolarHBondContact O-CB 3.38Å; S200-Q204 PolarHBondContact O-N 2.99Å; Q201-Q204 PolarHBondContact O-N 3.35Å; Q204-Y206 PolarHBondContact O-N 2.94Å; Q204-E207 PolarHBondContact O-N 2.75Å; Q204-D208 PolarHBondContact O-N 3.44Å |
| 205 | T | 63.3 | Low | 77.7 | Confident | 94 Ų | 94 | 96.9 Ų | 96.9 | 58% | 0.577 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.1 | -13.5 | 166.5 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | Q201 M202 A203 I212 | Q201-T205 PolarHBondContact O-N 3.41Å; Q201-T205 PolarHBondContact O-OG1 3.36Å; M202-T205 WeakPolarHBondContact CA-OG1 3.14Å; M202-T205 PolarHBondContact O-N 3.26Å; M202-T205 PolarHBondContact O-OG1 3.4Å; A203-T205 VanDerWaalsContact C-N 3.31Å; A203-T205 PolarHBondContact O-N 2.65Å; T205-I212 VanDerWaalsContact O-CD1 3.27Å; T205-I212 WeakPolarHBondContact O-CD1 3.42Å |
| 206 | Y | 59.6 | Low | 77.9 | Confident | 160 Ų | 160 | 100.2 Ų | 100.2 | 63% | 0.627 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -101.2 | -20.3 | 169.7 | -63.4 | -59.9 | 0 | 0 | 0 | 113.7 | M202 A203 Q204 I212 | M202-Y206 WeakPolarHBondContact O-CD2 3.4Å; M202-Y206 PolarHBondContact O-N 3.49Å; A203-Y206 CarbonylContact O-C 3.58Å; A203-Y206 VanDerWaalsContact O-CA 3.28Å; A203-Y206 WeakPolarHBondContact O-CA 3.38Å; A203-Y206 WeakPolarHBondContact O-CB 3.44Å; A203-Y206 PolarHBondContact O-N 3.17Å; Q204-Y206 PolarHBondContact O-N 2.94Å; Y206-I212 HydrophobicContact CD1-CD1 3.79Å |
| 207 | E | 64.5 | Low | 78.1 | Confident | 146 Ų | 146 | 105.1 Ų | 105.1 | 68% | 0.682 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -75.8 | -23.8 | 176.3 | -73.7 | 177.7 | -177.3 | 0 | 0 | 112.2 | A203 Q204 L209 | A203-E207 WeakPolarHBondContact O-CG 3.32Å; A203-E207 PolarHBondContact O-N 2.73Å; Q204-E207 PolarHBondContact O-N 2.75Å; E207-L209 PolarHBondContact O-N 3.28Å |
| 208 | D | 76.9 | Confident | 78.4 | Confident | 90 Ų | 90 | 105.2 Ų | 105.2 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | trans | -75.2 | 63.3 | 161.6 | -159.6 | -15.3 | 0 | 0 | 0 | 110.6 | Q204 D210 A211 I212 | Q204-D208 PolarHBondContact O-N 3.44Å; D208-D210 PolarHBondContact O-N 2.82Å; D208-A211 HydrophobicContact CB-CB 4.2Å; D208-A211 PolarHBondContact O-N 3.05Å; D208-A211 WeakPolarHBondContact OD1-CB 3.35Å; D208-A211 PolarHBondContact OD1-N 3.21Å; D208-A211 WeakPolarHBondContact OD2-CB 3.43Å; D208-I212 PolarHBondContact O-N 3.16Å | ||
| 209 | L | 75.6 | Confident | 78.9 | Confident | 108 Ų | 108 | 101 Ų | 101 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.8 | -32.1 | 178.3 | -179.6 | 64.4 | 0 | 0 | 0 | 111.2 | E207 T213 | E207-L209 PolarHBondContact O-N 3.28Å; L209-T213 HydrophobicContact CD1-CG2 4.2Å; L209-T213 HydrophobicContact CG-CG2 4.43Å; L209-T213 WeakPolarHBondContact O-CB 3.39Å; L209-T213 WeakPolarHBondContact O-CG2 3.41Å; L209-T213 PolarHBondContact O-N 2.96Å; L209-T213 PolarHBondContact O-OG1 3.01Å |
| 210 | D | 83.7 | Confident | 79.3 | Confident | 124 Ų | 124 | 100.9 Ų | 100.9 | 66% | 0.663 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.5 | -43.3 | 179.4 | -64.8 | -19 | 0 | 0 | 0 | 110.4 | D208 T213 Q214 | D208-D210 PolarHBondContact O-N 2.82Å; D210-T213 WeakPolarHBondContact CA-OG1 3.31Å; D210-T213 PolarHBondContact O-N 2.88Å; D210-T213 PolarHBondContact O-OG1 3.17Å; D210-Q214 VanDerWaalsContact O-CB 3.27Å; D210-Q214 WeakPolarHBondContact O-CB 3.46Å; D210-Q214 PolarHBondContact O-N 2.85Å |
| 211 | A | 83.4 | Confident | 79.9 | Confident | 43 Ų | 43 | 101.1 Ų | 101.1 | 36% | 0.355 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | D208 L215 | D208-A211 HydrophobicContact CB-CB 4.2Å; D208-A211 PolarHBondContact O-N 3.05Å; D208-A211 WeakPolarHBondContact OD1-CB 3.35Å; D208-A211 PolarHBondContact OD1-N 3.21Å; D208-A211 WeakPolarHBondContact OD2-CB 3.43Å; A211-L215 VanDerWaalsContact O-CB 3.25Å; A211-L215 WeakPolarHBondContact O-CB 3.3Å; A211-L215 PolarHBondContact O-N 3.29Å |
| 212 | I | 84.6 | Confident | 80.8 | Confident | 55 Ų | 55 | 98.9 Ų | 98.9 | 28% | 0.282 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 175.2 | -75.5 | -176.4 | 0 | 0 | 0 | 111.3 | T205 Y206 D208 L215 L216 | T205-I212 VanDerWaalsContact O-CD1 3.27Å; T205-I212 WeakPolarHBondContact O-CD1 3.42Å; Y206-I212 HydrophobicContact CD1-CD1 3.79Å; D208-I212 PolarHBondContact O-N 3.16Å; I212-L215 PolarHBondContact O-N 3.41Å; I212-L216 HydrophobicContact CG2-CD1 3.88Å; I212-L216 HydrophobicContact CG2-CG 4.47Å; I212-L216 WeakPolarHBondContact O-CB 3.47Å; I212-L216 VanDerWaalsContact O-CG 3.3Å; I212-L216 WeakPolarHBondContact O-CG 3.23Å; I212-L216 PolarHBondContact O-N 2.87Å |
| 213 | T | 85.5 | Confident | 82.1 | Confident | 66 Ų | 66 | 99.8 Ų | 99.8 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.1 | -39.8 | -179.3 | 49.3 | 0 | 0 | 0 | 0 | 111.7 | L209 D210 L215 L216 E217 | L209-T213 HydrophobicContact CD1-CG2 4.2Å; L209-T213 HydrophobicContact CG-CG2 4.43Å; L209-T213 WeakPolarHBondContact O-CB 3.39Å; L209-T213 WeakPolarHBondContact O-CG2 3.41Å; L209-T213 PolarHBondContact O-N 2.96Å; L209-T213 PolarHBondContact O-OG1 3.01Å; D210-T213 WeakPolarHBondContact CA-OG1 3.31Å; D210-T213 PolarHBondContact O-N 2.88Å; D210-T213 PolarHBondContact O-OG1 3.17Å; T213-L215 PolarHBondContact O-N 2.84Å; T213-L216 PolarHBondContact O-N 3.29Å; T213-E217 WeakPolarHBondContact O-CB 3.39Å; T213-E217 PolarHBondContact O-N 3.44Å |
| 214 | Q | 87.1 | Confident | 83.1 | Confident | 142 Ų | 142 | 102.5 Ų | 102.5 | 66% | 0.664 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61 | -42.6 | 172.1 | -172.4 | 175.8 | 30 | 0 | 0 | 111.9 | D210 L216 E217 E218 | D210-Q214 VanDerWaalsContact O-CB 3.27Å; D210-Q214 WeakPolarHBondContact O-CB 3.46Å; D210-Q214 PolarHBondContact O-N 2.85Å; Q214-L216 VanDerWaalsContact C-N 3.35Å; Q214-L216 PolarHBondContact O-N 2.97Å; Q214-E217 PolarHBondContact O-N 3.32Å; Q214-E218 WeakPolarHBondContact O-CB 3.2Å; Q214-E218 PolarHBondContact O-N 3.03Å |
| 215 | L | 87.4 | Confident | 84.4 | Confident | 96 Ų | 96 | 100.4 Ų | 100.4 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.7 | -36.6 | 176.1 | -178 | 63.6 | 0 | 0 | 0 | 112 | A211 I212 T213 K219 | A211-L215 VanDerWaalsContact O-CB 3.25Å; A211-L215 WeakPolarHBondContact O-CB 3.3Å; A211-L215 PolarHBondContact O-N 3.29Å; I212-L215 PolarHBondContact O-N 3.41Å; T213-L215 PolarHBondContact O-N 2.84Å; L215-K219 WeakPolarHBondContact O-CB 3.3Å; L215-K219 VanDerWaalsContact O-CG 3.23Å; L215-K219 WeakPolarHBondContact O-CG 3.29Å; L215-K219 PolarHBondContact O-N 3.21Å |
| 216 | L | 89.6 | Confident | 85.9 | Confident | 114 Ų | 114 | 98.8 Ų | 98.8 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.5 | -36.3 | 174.4 | -74.2 | 169.7 | 0 | 0 | 0 | 112.3 | I212 T213 Q214 K219 Q220 | I212-L216 HydrophobicContact CG2-CD1 3.88Å; I212-L216 HydrophobicContact CG2-CG 4.47Å; I212-L216 WeakPolarHBondContact O-CB 3.47Å; I212-L216 VanDerWaalsContact O-CG 3.3Å; I212-L216 WeakPolarHBondContact O-CG 3.23Å; I212-L216 PolarHBondContact O-N 2.87Å; T213-L216 PolarHBondContact O-N 3.29Å; Q214-L216 VanDerWaalsContact C-N 3.35Å; Q214-L216 PolarHBondContact O-N 2.97Å; L216-K219 PolarHBondContact O-N 3.42Å; L216-Q220 WeakPolarHBondContact O-CB 3.39Å; L216-Q220 PolarHBondContact O-N 3.41Å |
| 217 | E | 90.8 | Very high | 87.5 | Confident | 138 Ų | 138 | 94.2 Ų | 94.2 | 65% | 0.645 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.9 | -41.3 | 174.4 | -172.5 | 168.8 | -152.4 | 0 | 0 | 111.6 | T213 Q214 K219 Q220 T221 | T213-E217 WeakPolarHBondContact O-CB 3.39Å; T213-E217 PolarHBondContact O-N 3.44Å; Q214-E217 PolarHBondContact O-N 3.32Å; E217-K219 PolarHBondContact O-N 3.34Å; E217-Q220 PolarHBondContact O-N 2.92Å; E217-T221 PolarHBondContact O-N 2.97Å; E217-T221 PolarHBondContact O-OG1 3.11Å |
| 218 | E | 89.1 | Confident | 88.9 | Confident | 102 Ų | 102 | 93.5 Ų | 93.5 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 170.7 | -168.3 | -161 | -149.4 | 0 | 0 | 111 | Q214 Q220 T221 D222 | Q214-E218 WeakPolarHBondContact O-CB 3.2Å; Q214-E218 PolarHBondContact O-N 3.03Å; E218-Q220 PolarHBondContact O-N 3.41Å; E218-T221 WeakPolarHBondContact CA-OG1 3.36Å; E218-T221 PolarHBondContact O-N 2.93Å; E218-T221 PolarHBondContact O-OG1 3.31Å; E218-D222 WeakPolarHBondContact O-CB 3.43Å; E218-D222 PolarHBondContact O-N 3.17Å |
| 219 | K | 93.4 | Very high | 89.6 | Confident | 84 Ų | 84 | 94.1 Ų | 94.1 | 37% | 0.365 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71 | -28.2 | 177.3 | -67.8 | -65.7 | 138.2 | -71.1 | 0 | 113.4 | L215 L216 E217 D222 L223 | L215-K219 WeakPolarHBondContact O-CB 3.3Å; L215-K219 VanDerWaalsContact O-CG 3.23Å; L215-K219 WeakPolarHBondContact O-CG 3.29Å; L215-K219 PolarHBondContact O-N 3.21Å; L216-K219 PolarHBondContact O-N 3.42Å; E217-K219 PolarHBondContact O-N 3.34Å; K219-D222 WeakPolarHBondContact CE-OD2 3.43Å; K219-D222 IonicContact NZ-OD2 2.72Å; K219-D222 PolarHBondContact NZ-OD2 3.38Å; K219-L223 WeakPolarHBondContact O-CB 3.42Å; K219-L223 WeakPolarHBondContact O-CD1 3.41Å; K219-L223 VanDerWaalsContact O-CG 3.26Å; K219-L223 WeakPolarHBondContact O-CG 3.48Å; K219-L223 PolarHBondContact O-N 3.47Å; K219-L223 VanDerWaalsContact O-N 3.14Å |
| 220 | Q | 91.8 | Very high | 90.5 | Very high | 96 Ų | 96 | 90.4 Ų | 90.4 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.9 | -42.9 | 171.1 | 177.5 | 59.8 | 27.1 | 0 | 0 | 111.2 | L216 E217 E218 L223 E224 | L216-Q220 WeakPolarHBondContact O-CB 3.39Å; L216-Q220 PolarHBondContact O-N 3.41Å; E217-Q220 PolarHBondContact O-N 2.92Å; E218-Q220 PolarHBondContact O-N 3.41Å; Q220-L223 PolarHBondContact O-N 3.01Å; Q220-E224 PolarHBondContact NE2-OE1 3.46Å; Q220-E224 WeakPolarHBondContact O-CG 3.47Å; Q220-E224 PolarHBondContact O-N 2.99Å |
| 221 | T | 92.1 | Very high | 91 | Very high | 79 Ų | 79 | 92.2 Ų | 92.2 | 49% | 0.485 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.4 | -35.9 | 177.2 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | E217 E218 E224 L225 | E217-T221 PolarHBondContact O-N 2.97Å; E217-T221 PolarHBondContact O-OG1 3.11Å; E218-T221 WeakPolarHBondContact CA-OG1 3.36Å; E218-T221 PolarHBondContact O-N 2.93Å; E218-T221 PolarHBondContact O-OG1 3.31Å; T221-E224 PolarHBondContact O-N 2.95Å; T221-L225 VanDerWaalsContact O-CB 3.31Å; T221-L225 WeakPolarHBondContact O-CB 3.25Å; T221-L225 PolarHBondContact O-N 2.8Å |
| 222 | D | 95.6 | Very high | 91.5 | Very high | 78 Ų | 78 | 93 Ų | 93 | 42% | 0.417 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -55.3 | -48.4 | 167 | -86 | -28.6 | 0 | 0 | 0 | 111.9 | E218 K219 L225 A226 | E218-D222 WeakPolarHBondContact O-CB 3.43Å; E218-D222 PolarHBondContact O-N 3.17Å; K219-D222 WeakPolarHBondContact CE-OD2 3.43Å; K219-D222 IonicContact NZ-OD2 2.72Å; K219-D222 PolarHBondContact NZ-OD2 3.38Å; D222-L225 PolarHBondContact O-N 2.86Å; D222-A226 WeakPolarHBondContact O-CB 3.17Å; D222-A226 PolarHBondContact O-N 3.16Å |
| 223 | L | 92.4 | Very high | 91.9 | Very high | 115 Ų | 115 | 95.2 Ų | 95.2 | 60% | 0.602 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.3 | -39.7 | -179.5 | -76.5 | 168.5 | 0 | 0 | 0 | 112.1 | K219 Q220 A226 A227 | K219-L223 WeakPolarHBondContact O-CB 3.42Å; K219-L223 WeakPolarHBondContact O-CD1 3.41Å; K219-L223 VanDerWaalsContact O-CG 3.26Å; K219-L223 WeakPolarHBondContact O-CG 3.48Å; K219-L223 PolarHBondContact O-N 3.47Å; K219-L223 VanDerWaalsContact O-N 3.14Å; Q220-L223 PolarHBondContact O-N 3.01Å; L223-A226 PolarHBondContact O-N 3.08Å; L223-A227 WeakPolarHBondContact O-CB 3.43Å; L223-A227 PolarHBondContact O-N 2.92Å |
| 224 | E | 92.6 | Very high | 92.3 | Very high | 93 Ų | 93 | 98 Ų | 98 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 174.2 | -74.3 | -176.4 | -155.2 | 0 | 0 | 112.2 | Q220 T221 A227 K228 | Q220-E224 PolarHBondContact NE2-OE1 3.46Å; Q220-E224 WeakPolarHBondContact O-CG 3.47Å; Q220-E224 PolarHBondContact O-N 2.99Å; T221-E224 PolarHBondContact O-N 2.95Å; E224-A227 PolarHBondContact O-N 2.85Å; E224-K228 WeakPolarHBondContact O-CB 3.32Å; E224-K228 VanDerWaalsContact O-CG 3.26Å; E224-K228 WeakPolarHBondContact O-CG 3.41Å; E224-K228 PolarHBondContact O-N 2.94Å |
| 225 | L | 93.5 | Very high | 92.5 | Very high | 86 Ų | 86 | 94.1 Ų | 94.1 | 45% | 0.45 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 174.3 | -179.2 | 60 | 0 | 0 | 0 | 111.2 | T221 D222 A227 K228 I229 | T221-L225 VanDerWaalsContact O-CB 3.31Å; T221-L225 WeakPolarHBondContact O-CB 3.25Å; T221-L225 PolarHBondContact O-N 2.8Å; D222-L225 PolarHBondContact O-N 2.86Å; L225-A227 VanDerWaalsContact C-N 3.31Å; L225-A227 PolarHBondContact O-N 2.83Å; L225-K228 PolarHBondContact O-N 3.17Å; L225-I229 HydrophobicContact CD1-CD1 4.01Å; L225-I229 HydrophobicContact CD1-CG1 4.24Å; L225-I229 HydrophobicContact CG-CD1 3.88Å; L225-I229 WeakPolarHBondContact O-CB 3.31Å; L225-I229 VanDerWaalsContact O-CG1 3.3Å; L225-I229 WeakPolarHBondContact O-CG1 3.18Å; L225-I229 PolarHBondContact O-N 2.97Å |
| 226 | A | 93.9 | Very high | 92.9 | Very high | 60 Ų | 60 | 94.4 Ų | 94.4 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60 | -40 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | D222 L223 G230 | D222-A226 WeakPolarHBondContact O-CB 3.17Å; D222-A226 PolarHBondContact O-N 3.16Å; L223-A226 PolarHBondContact O-N 3.08Å; A226-G230 PolarHBondContact O-N 3.18Å |
| 227 | A | 93.2 | Very high | 93 | Very high | 64 Ų | 64 | 92.3 Ų | 92.3 | 53% | 0.529 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L223 E224 L225 G230 K231 | L223-A227 WeakPolarHBondContact O-CB 3.43Å; L223-A227 PolarHBondContact O-N 2.92Å; E224-A227 PolarHBondContact O-N 2.85Å; L225-A227 VanDerWaalsContact C-N 3.31Å; L225-A227 PolarHBondContact O-N 2.83Å; A227-G230 PolarHBondContact O-N 3.2Å; A227-K231 WeakPolarHBondContact O-CB 3.3Å; A227-K231 PolarHBondContact O-N 2.86Å |
| 228 | K | 95.3 | Very high | 93.2 | Very high | 131 Ų | 131 | 91.6 Ų | 91.6 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.6 | -47.3 | 173.6 | -75.5 | 169.5 | -178.6 | 178.4 | 0 | 111.4 | E224 L225 K231 N232 | E224-K228 WeakPolarHBondContact O-CB 3.32Å; E224-K228 VanDerWaalsContact O-CG 3.26Å; E224-K228 WeakPolarHBondContact O-CG 3.41Å; E224-K228 PolarHBondContact O-N 2.94Å; L225-K228 PolarHBondContact O-N 3.17Å; K228-K231 PolarHBondContact O-N 2.7Å; K228-N232 WeakPolarHBondContact O-CB 3.17Å; K228-N232 PolarHBondContact O-N 3.03Å |
| 229 | I | 91.5 | Very high | 93.4 | Very high | 102 Ų | 102 | 90.1 Ų | 90.1 | 52% | 0.523 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 176.7 | -68.6 | 168.1 | 0 | 0 | 0 | 110.4 | L225 K231 N232 L233 | L225-I229 HydrophobicContact CD1-CD1 4.01Å; L225-I229 HydrophobicContact CD1-CG1 4.24Å; L225-I229 HydrophobicContact CG-CD1 3.88Å; L225-I229 WeakPolarHBondContact O-CB 3.31Å; L225-I229 VanDerWaalsContact O-CG1 3.3Å; L225-I229 WeakPolarHBondContact O-CG1 3.18Å; L225-I229 PolarHBondContact O-N 2.97Å; I229-K231 VanDerWaalsContact C-N 3.34Å; I229-K231 PolarHBondContact O-N 3.3Å; I229-N232 PolarHBondContact O-N 3.45Å; I229-L233 WeakPolarHBondContact O-CB 3.42Å; I229-L233 PolarHBondContact O-N 3.35Å |
| 230 | G | 94 | Very high | 93.4 | Very high | 30 Ų | 30 | 90.2 Ų | 90.2 | 31% | 0.309 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A226 A227 L233 L234 | A226-G230 PolarHBondContact O-N 3.18Å; A227-G230 PolarHBondContact O-N 3.2Å; G230-L233 PolarHBondContact O-N 2.73Å; G230-L234 WeakPolarHBondContact O-CB 3.5Å; G230-L234 VanDerWaalsContact O-CG 3.28Å; G230-L234 WeakPolarHBondContact O-CG 3.32Å; G230-L234 PolarHBondContact O-N 2.96Å |
| 231 | K | 93.3 | Very high | 93.6 | Very high | 163 Ų | 163 | 91.2 Ų | 91.2 | 71% | 0.709 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65 | -42.1 | 174.6 | -173.5 | -178.6 | 177.1 | -173.6 | 0 | 112.3 | A227 K228 I229 L234 A235 | A227-K231 WeakPolarHBondContact O-CB 3.3Å; A227-K231 PolarHBondContact O-N 2.86Å; K228-K231 PolarHBondContact O-N 2.7Å; I229-K231 VanDerWaalsContact C-N 3.34Å; I229-K231 PolarHBondContact O-N 3.3Å; K231-L234 PolarHBondContact O-N 3.33Å; K231-A235 WeakPolarHBondContact O-CB 3.45Å; K231-A235 PolarHBondContact O-N 3.37Å |
| 232 | N | 94.3 | Very high | 93.7 | Very high | 60 Ų | 60 | 90.1 Ų | 90.1 | 32% | 0.321 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 177.7 | -169.6 | -95.3 | 0 | 0 | 0 | 111.7 | K228 I229 A235 K236 | K228-N232 WeakPolarHBondContact O-CB 3.17Å; K228-N232 PolarHBondContact O-N 3.03Å; I229-N232 PolarHBondContact O-N 3.45Å; N232-A235 PolarHBondContact O-N 2.85Å; N232-K236 WeakPolarHBondContact O-CB 3.48Å; N232-K236 WeakPolarHBondContact O-CG 3.35Å; N232-K236 PolarHBondContact O-N 3.49Å; N232-K236 WeakPolarHBondContact OD1-CD 3.46Å; N232-K236 WeakPolarHBondContact OD1-CE 3.32Å; N232-K236 PolarHBondContact OD1-NZ 2.91Å |
| 233 | L | 94 | Very high | 93.7 | Very high | 100 Ų | 100 | 90.2 Ų | 90.2 | 52% | 0.524 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 176.4 | -171.7 | 67.6 | 0 | 0 | 0 | 111.7 | I229 G230 K236 N237 | I229-L233 WeakPolarHBondContact O-CB 3.42Å; I229-L233 PolarHBondContact O-N 3.35Å; G230-L233 PolarHBondContact O-N 2.73Å; L233-K236 PolarHBondContact O-N 3.18Å; L233-N237 WeakPolarHBondContact O-CB 3.25Å; L233-N237 PolarHBondContact O-N 3.41Å; L233-N237 PolarHBondContact O-ND2 3.42Å |
| 234 | L | 92.8 | Very high | 93.7 | Very high | 126 Ų | 126 | 89.6 Ų | 89.6 | 66% | 0.66 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.9 | -40.7 | 173.8 | -74.1 | 169.9 | 0 | 0 | 0 | 112.1 | G230 K231 N237 H238 | G230-L234 WeakPolarHBondContact O-CB 3.5Å; G230-L234 VanDerWaalsContact O-CG 3.28Å; G230-L234 WeakPolarHBondContact O-CG 3.32Å; G230-L234 PolarHBondContact O-N 2.96Å; K231-L234 PolarHBondContact O-N 3.33Å; L234-N237 PolarHBondContact O-N 2.92Å; L234-H238 WeakPolarHBondContact O-CB 3.36Å; L234-H238 PolarHBondContact O-N 3.32Å |
| 235 | A | 93.1 | Very high | 93.8 | Very high | 59 Ų | 59 | 90.4 Ų | 90.4 | 49% | 0.488 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | K231 N232 H238 D239 | K231-A235 WeakPolarHBondContact O-CB 3.45Å; K231-A235 PolarHBondContact O-N 3.37Å; N232-A235 PolarHBondContact O-N 2.85Å; A235-H238 PolarHBondContact O-N 3.02Å; A235-D239 PolarHBondContact O-N 3.18Å |
| 236 | K | 95.1 | Very high | 93.9 | Very high | 103 Ų | 103 | 90.4 Ų | 90.4 | 45% | 0.448 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 173.9 | -78.6 | 171.4 | 173.1 | 161.1 | 0 | 112.2 | N232 L233 H238 D239 L240 | N232-K236 WeakPolarHBondContact O-CB 3.48Å; N232-K236 WeakPolarHBondContact O-CG 3.35Å; N232-K236 PolarHBondContact O-N 3.49Å; N232-K236 WeakPolarHBondContact OD1-CD 3.46Å; N232-K236 WeakPolarHBondContact OD1-CE 3.32Å; N232-K236 PolarHBondContact OD1-NZ 2.91Å; L233-K236 PolarHBondContact O-N 3.18Å; K236-H238 VanDerWaalsContact C-N 3.28Å; K236-H238 PolarHBondContact O-N 2.82Å; K236-D239 PolarHBondContact O-N 2.99Å; K236-L240 WeakPolarHBondContact O-CB 3.24Å; K236-L240 VanDerWaalsContact O-CG 3.25Å; K236-L240 WeakPolarHBondContact O-CG 3.32Å; K236-L240 PolarHBondContact O-N 3.26Å |
| 237 | N | 91.4 | Very high | 93.8 | Very high | 70 Ų | 70 | 91.4 Ų | 91.4 | 37% | 0.374 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -34.2 | 175 | -74.7 | -18.1 | 0 | 0 | 0 | 112 | L233 L234 Q241 | L233-N237 WeakPolarHBondContact O-CB 3.25Å; L233-N237 PolarHBondContact O-N 3.41Å; L233-N237 PolarHBondContact O-ND2 3.42Å; L234-N237 PolarHBondContact O-N 2.92Å; N237-Q241 VanDerWaalsContact O-CB 3.31Å; N237-Q241 WeakPolarHBondContact O-CB 3.42Å; N237-Q241 WeakPolarHBondContact O-CG 3.46Å; N237-Q241 PolarHBondContact O-N 3.25Å |
| 238 | H | 94.4 | Very high | 93.9 | Very high | 123 Ų | 123 | 92.9 Ų | 92.9 | 57% | 0.569 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -73.8 | -37.8 | 175.7 | -170.3 | 43.8 | 0 | 0 | 0 | 112.9 | L234 A235 K236 S242 | L234-H238 WeakPolarHBondContact O-CB 3.36Å; L234-H238 PolarHBondContact O-N 3.32Å; A235-H238 PolarHBondContact O-N 3.02Å; K236-H238 VanDerWaalsContact C-N 3.28Å; K236-H238 PolarHBondContact O-N 2.82Å; H238-S242 WeakPolarHBondContact O-CB 3.37Å; H238-S242 PolarHBondContact O-N 2.85Å; H238-S242 PolarHBondContact O-OG 3.42Å |
| 239 | D | 94.7 | Very high | 93.9 | Very high | 70 Ų | 70 | 92.3 Ų | 92.3 | 37% | 0.374 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.7 | -51.1 | 169.1 | 175 | 63.8 | 0 | 0 | 0 | 111 | A235 K236 Q241 S242 R243 Q747 | A235-D239 PolarHBondContact O-N 3.18Å; K236-D239 PolarHBondContact O-N 2.99Å; D239-Q241 VanDerWaalsContact C-N 3.33Å; D239-Q241 PolarHBondContact O-N 3.46Å; D239-S242 PolarHBondContact O-N 3.47Å; D239-S242 VanDerWaalsContact O-N 3.08Å; D239-R243 WeakPolarHBondContact O-CB 3.43Å; D239-R243 WeakPolarHBondContact O-CG 3.43Å; D239-R243 PolarHBondContact O-N 3.49Å; D239-R243 WeakPolarHBondContact OD1-CD 3.25Å; D239-R243 VanDerWaalsContact OD2-CD 3.24Å; D239-R243 WeakPolarHBondContact OD2-CD 3.38Å; D239-Q747 PolarHBondContact OD2-NE2 3.2Å |
| 240 | L | 93.6 | Very high | 94 | Very high | 87 Ų | 87 | 90.4 Ų | 90.4 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 177.8 | -71.2 | 172.7 | 0 | 0 | 0 | 112.1 | K236 L244 | K236-L240 WeakPolarHBondContact O-CB 3.24Å; K236-L240 VanDerWaalsContact O-CG 3.25Å; K236-L240 WeakPolarHBondContact O-CG 3.32Å; K236-L240 PolarHBondContact O-N 3.26Å; L240-L244 WeakPolarHBondContact O-CB 3.33Å; L240-L244 PolarHBondContact O-N 3.07Å |
| 241 | Q | 94.4 | Very high | 94 | Very high | 117 Ų | 117 | 93.7 Ų | 93.7 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 172.8 | -77.9 | 169.7 | 3 | 0 | 0 | 112.4 | N237 D239 L244 L245 | N237-Q241 VanDerWaalsContact O-CB 3.31Å; N237-Q241 WeakPolarHBondContact O-CB 3.42Å; N237-Q241 WeakPolarHBondContact O-CG 3.46Å; N237-Q241 PolarHBondContact O-N 3.25Å; D239-Q241 VanDerWaalsContact C-N 3.33Å; D239-Q241 PolarHBondContact O-N 3.46Å; Q241-L244 PolarHBondContact O-N 3.1Å; Q241-L245 WeakPolarHBondContact O-CB 3.49Å; Q241-L245 VanDerWaalsContact O-CG 3.31Å; Q241-L245 WeakPolarHBondContact O-CG 3.34Å; Q241-L245 PolarHBondContact O-N 3.13Å |
| 242 | S | 94 | Very high | 94 | Very high | 56 Ų | 56 | 90.4 Ų | 90.4 | 39% | 0.392 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 179.3 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | H238 D239 L245 E246 | H238-S242 WeakPolarHBondContact O-CB 3.37Å; H238-S242 PolarHBondContact O-N 2.85Å; H238-S242 PolarHBondContact O-OG 3.42Å; D239-S242 PolarHBondContact O-N 3.47Å; D239-S242 VanDerWaalsContact O-N 3.08Å; S242-L245 PolarHBondContact O-N 3.18Å; S242-E246 PolarHBondContact O-N 3.07Å |
| 243 | R | 95.9 | Very high | 94 | Very high | 79 Ų | 79 | 89.9 Ų | 89.9 | 30% | 0.298 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.3 | -36.4 | 175.4 | -68 | 175.7 | 68.9 | -95.9 | -3.5 | 111.9 | D239 E246 T247 Q747 | D239-R243 WeakPolarHBondContact O-CB 3.43Å; D239-R243 WeakPolarHBondContact O-CG 3.43Å; D239-R243 PolarHBondContact O-N 3.49Å; D239-R243 WeakPolarHBondContact OD1-CD 3.25Å; D239-R243 VanDerWaalsContact OD2-CD 3.24Å; D239-R243 WeakPolarHBondContact OD2-CD 3.38Å; R243-E246 PolarHBondContact O-N 2.94Å; R243-T247 WeakPolarHBondContact O-CG2 3.4Å; R243-T247 PolarHBondContact O-N 3.16Å; R243-T247 PolarHBondContact O-OG1 3.23Å; R243-Q747 VanDerWaalsContact CZ-CG 3.5Å; R243-Q747 VanDerWaalsContact CZ-OE1 3.23Å; R243-Q747 VanDerWaalsContact NE-CD 3.25Å |
| 244 | L | 93.1 | Very high | 93.9 | Very high | 103 Ų | 103 | 92.3 Ų | 92.3 | 54% | 0.539 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 173.1 | -172.6 | 161.9 | 0 | 0 | 0 | 111.2 | L240 Q241 E246 T247 E248 | L240-L244 WeakPolarHBondContact O-CB 3.33Å; L240-L244 PolarHBondContact O-N 3.07Å; Q241-L244 PolarHBondContact O-N 3.1Å; L244-E246 VanDerWaalsContact C-N 3.29Å; L244-E246 PolarHBondContact O-N 2.87Å; L244-T247 PolarHBondContact O-N 3.48Å; L244-T247 PolarHBondContact O-OG1 3.24Å; L244-T247 VanDerWaalsContact O-OG1 3.05Å; L244-E248 VanDerWaalsContact O-CB 3.23Å; L244-E248 WeakPolarHBondContact O-CB 3.4Å; L244-E248 PolarHBondContact O-N 3.07Å |
| 245 | L | 95 | Very high | 94.1 | Very high | 110 Ų | 110 | 90.2 Ų | 90.2 | 58% | 0.576 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.1 | -37.7 | 176 | -73.9 | 168.7 | 0 | 0 | 0 | 112 | Q241 S242 K249 | Q241-L245 WeakPolarHBondContact O-CB 3.49Å; Q241-L245 VanDerWaalsContact O-CG 3.31Å; Q241-L245 WeakPolarHBondContact O-CG 3.34Å; Q241-L245 PolarHBondContact O-N 3.13Å; S242-L245 PolarHBondContact O-N 3.18Å; L245-K249 WeakPolarHBondContact O-CB 3.47Å; L245-K249 PolarHBondContact O-N 3.45Å |
| 246 | E | 94.8 | Very high | 94.2 | Very high | 85 Ų | 85 | 94.4 Ų | 94.4 | 40% | 0.397 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -74.4 | -36.5 | 176.7 | -170.1 | 57.1 | -142.7 | 0 | 0 | 112.2 | S242 R243 L244 K249 N250 | S242-E246 PolarHBondContact O-N 3.07Å; R243-E246 PolarHBondContact O-N 2.94Å; L244-E246 VanDerWaalsContact C-N 3.29Å; L244-E246 PolarHBondContact O-N 2.87Å; E246-K249 IonicContact OE1-NZ 3.39Å; E246-K249 PolarHBondContact OE1-NZ 3.21Å; E246-K249 IonicContact OE2-NZ 3.49Å; E246-K249 PolarHBondContact OE2-NZ 2.9Å; E246-N250 WeakPolarHBondContact O-CB 3.43Å; E246-N250 PolarHBondContact O-N 3.26Å; E246-N250 PolarHBondContact O-ND2 3.4Å; E246-N250 PolarHBondContact OE1-ND2 3.19Å |
| 247 | T | 91.9 | Very high | 94.3 | Very high | 82 Ų | 82 | 93.5 Ų | 93.5 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.2 | -39.3 | 172.6 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | R243 L244 N250 L251 | R243-T247 WeakPolarHBondContact O-CG2 3.4Å; R243-T247 PolarHBondContact O-N 3.16Å; R243-T247 PolarHBondContact O-OG1 3.23Å; L244-T247 PolarHBondContact O-N 3.48Å; L244-T247 PolarHBondContact O-OG1 3.24Å; L244-T247 VanDerWaalsContact O-OG1 3.05Å; T247-N250 CarbonylContact O-C 3.43Å; T247-N250 PolarHBondContact O-N 2.88Å; T247-L251 WeakPolarHBondContact O-CG 3.28Å; T247-L251 PolarHBondContact O-N 3.38Å |
| 248 | E | 95.6 | Very high | 94.4 | Very high | 95 Ų | 95 | 94.2 Ų | 94.2 | 44% | 0.444 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 172.7 | -178.3 | 178.3 | -171.7 | 0 | 0 | 111.1 | L244 N250 L251 N252 | L244-E248 VanDerWaalsContact O-CB 3.23Å; L244-E248 WeakPolarHBondContact O-CB 3.4Å; L244-E248 PolarHBondContact O-N 3.07Å; E248-N250 VanDerWaalsContact C-N 3.34Å; E248-N250 PolarHBondContact O-N 3.01Å; E248-L251 PolarHBondContact O-N 2.94Å; E248-N252 PolarHBondContact O-N 3.06Å; E248-N252 PolarHBondContact O-ND2 3.4Å |
| 249 | K | 94.6 | Very high | 94.4 | Very high | 119 Ų | 119 | 92 Ų | 92 | 52% | 0.517 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 172.6 | 168.6 | 166.8 | 157.2 | -91.1 | 0 | 112.5 | L245 E246 A253 | L245-K249 WeakPolarHBondContact O-CB 3.47Å; L245-K249 PolarHBondContact O-N 3.45Å; E246-K249 IonicContact OE1-NZ 3.39Å; E246-K249 PolarHBondContact OE1-NZ 3.21Å; E246-K249 IonicContact OE2-NZ 3.49Å; E246-K249 PolarHBondContact OE2-NZ 2.9Å; K249-A253 WeakPolarHBondContact O-CB 3.42Å; K249-A253 PolarHBondContact O-N 2.93Å |
| 250 | N | 94.9 | Very high | 94.5 | Very high | 62 Ų | 62 | 94.1 Ų | 94.1 | 33% | 0.332 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -78 | -14.7 | 177.5 | -77.3 | -71 | 0 | 0 | 0 | 114.4 | E246 T247 E248 R254 | E246-N250 WeakPolarHBondContact O-CB 3.43Å; E246-N250 PolarHBondContact O-N 3.26Å; E246-N250 PolarHBondContact O-ND2 3.4Å; E246-N250 PolarHBondContact OE1-ND2 3.19Å; T247-N250 CarbonylContact O-C 3.43Å; T247-N250 PolarHBondContact O-N 2.88Å; E248-N250 VanDerWaalsContact C-N 3.34Å; E248-N250 PolarHBondContact O-N 3.01Å; N250-R254 VanDerWaalsContact O-CG 3.32Å; N250-R254 WeakPolarHBondContact O-CG 3.37Å; N250-R254 PolarHBondContact O-NH1 2.98Å |
| 251 | L | 92.2 | Very high | 94.5 | Very high | 99 Ų | 99 | 94.5 Ų | 94.5 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -78.6 | -54.1 | 167 | -76.1 | 167.5 | 0 | 0 | 0 | 109.4 | T247 E248 A253 R254 D255 | T247-L251 WeakPolarHBondContact O-CG 3.28Å; T247-L251 PolarHBondContact O-N 3.38Å; E248-L251 PolarHBondContact O-N 2.94Å; L251-A253 VanDerWaalsContact C-N 3.26Å; L251-A253 PolarHBondContact O-N 3.39Å; L251-R254 CarbonylContact O-C 3.59Å; L251-R254 WeakPolarHBondContact O-CA 3.35Å; L251-R254 WeakPolarHBondContact O-CB 3.35Å; L251-R254 PolarHBondContact O-N 3.26Å; L251-D255 PolarHBondContact O-N 2.94Å |
| 252 | N | 94.4 | Very high | 94.6 | Very high | 94 Ų | 94 | 93.1 Ų | 93.1 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -51.8 | -42.5 | 176.6 | -74.6 | -61 | 0 | 0 | 0 | 112.7 | E248 R254 D255 E256 | E248-N252 PolarHBondContact O-N 3.06Å; E248-N252 PolarHBondContact O-ND2 3.4Å; N252-R254 PolarHBondContact O-N 3.44Å; N252-D255 PolarHBondContact O-N 2.85Å; N252-E256 PolarHBondContact O-N 2.89Å |
| 253 | A | 94.3 | Very high | 94.6 | Very high | 48 Ų | 48 | 95.8 Ų | 95.8 | 40% | 0.397 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66 | -32.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K249 L251 V257 | K249-A253 WeakPolarHBondContact O-CB 3.42Å; K249-A253 PolarHBondContact O-N 2.93Å; L251-A253 VanDerWaalsContact C-N 3.26Å; L251-A253 PolarHBondContact O-N 3.39Å; A253-V257 WeakPolarHBondContact O-CG2 3.39Å; A253-V257 PolarHBondContact O-N 2.94Å |
| 254 | R | 92.5 | Very high | 94.6 | Very high | 151 Ų | 151 | 94.3 Ų | 94.3 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -74.6 | -38.6 | 173.2 | -73.9 | 179.2 | -176.9 | 100.1 | -5.7 | 111.4 | N250 L251 N252 E256 V257 I258 | N250-R254 VanDerWaalsContact O-CG 3.32Å; N250-R254 WeakPolarHBondContact O-CG 3.37Å; N250-R254 PolarHBondContact O-NH1 2.98Å; L251-R254 CarbonylContact O-C 3.59Å; L251-R254 WeakPolarHBondContact O-CA 3.35Å; L251-R254 WeakPolarHBondContact O-CB 3.35Å; L251-R254 PolarHBondContact O-N 3.26Å; N252-R254 PolarHBondContact O-N 3.44Å; R254-E256 VanDerWaalsContact C-N 3.34Å; R254-V257 PolarHBondContact O-N 3.44Å; R254-I258 WeakPolarHBondContact O-CB 3.3Å; R254-I258 VanDerWaalsContact O-CG1 3.27Å; R254-I258 WeakPolarHBondContact O-CG1 3.22Å; R254-I258 PolarHBondContact O-N 3.21Å |
| 255 | D | 96.5 | Very high | 94.6 | Very high | 82 Ų | 82 | 94.8 Ų | 94.8 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.4 | -33.8 | 178 | -67.3 | -34.4 | 0 | 0 | 0 | 112 | L251 N252 S259 | L251-D255 PolarHBondContact O-N 2.94Å; N252-D255 PolarHBondContact O-N 2.85Å; D255-S259 VanDerWaalsContact O-CB 3.24Å; D255-S259 WeakPolarHBondContact O-CB 3.37Å; D255-S259 PolarHBondContact O-N 3.45Å; D255-S259 PolarHBondContact O-OG 2.96Å |
| 256 | E | 95.5 | Very high | 94.5 | Very high | 147 Ų | 147 | 93.1 Ų | 93.1 | 69% | 0.687 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.3 | -46.1 | 168.7 | -174.4 | 174.3 | -164.6 | 0 | 0 | 111.5 | N252 R254 I258 S259 Q260 | N252-E256 PolarHBondContact O-N 2.89Å; R254-E256 VanDerWaalsContact C-N 3.34Å; E256-I258 PolarHBondContact O-N 3.18Å; E256-S259 PolarHBondContact O-N 3.5Å; E256-Q260 WeakPolarHBondContact O-CB 3.17Å; E256-Q260 PolarHBondContact O-N 3.32Å |
| 257 | V | 95.9 | Very high | 94.5 | Very high | 85 Ų | 85 | 92.5 Ų | 92.5 | 52% | 0.515 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | A253 R254 Q260 L261 | A253-V257 WeakPolarHBondContact O-CG2 3.39Å; A253-V257 PolarHBondContact O-N 2.94Å; R254-V257 PolarHBondContact O-N 3.44Å; V257-Q260 PolarHBondContact O-N 3.43Å; V257-L261 HydrophobicContact CG1-CD1 3.95Å; V257-L261 HydrophobicContact CG1-CG 4.4Å; V257-L261 WeakPolarHBondContact O-CB 3.34Å; V257-L261 VanDerWaalsContact O-CG 3.29Å; V257-L261 WeakPolarHBondContact O-CG 3.36Å; V257-L261 PolarHBondContact O-N 3.39Å |
| 258 | I | 94.9 | Very high | 94.7 | Very high | 85 Ų | 85 | 92.9 Ų | 92.9 | 44% | 0.436 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 175.4 | -71 | 163.7 | 0 | 0 | 0 | 110.2 | R254 E256 Q260 L261 N262 | R254-I258 WeakPolarHBondContact O-CB 3.3Å; R254-I258 VanDerWaalsContact O-CG1 3.27Å; R254-I258 WeakPolarHBondContact O-CG1 3.22Å; R254-I258 PolarHBondContact O-N 3.21Å; E256-I258 PolarHBondContact O-N 3.18Å; I258-Q260 VanDerWaalsContact C-N 3.35Å; I258-Q260 PolarHBondContact O-N 2.85Å; I258-L261 PolarHBondContact O-N 2.98Å; I258-N262 WeakPolarHBondContact O-CB 3.42Å; I258-N262 VanDerWaalsContact O-CG 3.25Å; I258-N262 PolarHBondContact O-N 3.23Å; I258-N262 PolarHBondContact O-ND2 2.85Å |
| 259 | S | 93.9 | Very high | 94.6 | Very high | 76 Ų | 76 | 92.1 Ų | 92.1 | 53% | 0.531 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 176.4 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | D255 E256 N262 H263 | D255-S259 VanDerWaalsContact O-CB 3.24Å; D255-S259 WeakPolarHBondContact O-CB 3.37Å; D255-S259 PolarHBondContact O-N 3.45Å; D255-S259 PolarHBondContact O-OG 2.96Å; E256-S259 PolarHBondContact O-N 3.5Å; S259-N262 PolarHBondContact O-N 3.43Å; S259-H263 WeakPolarHBondContact O-CB 3.44Å; S259-H263 PolarHBondContact O-N 2.97Å |
| 260 | Q | 96 | Very high | 94.4 | Very high | 114 Ų | 114 | 89.6 Ų | 89.6 | 53% | 0.533 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68 | -39.9 | 177.5 | 179.4 | 61.6 | -8.4 | 0 | 0 | 112.2 | E256 V257 I258 N264 | E256-Q260 WeakPolarHBondContact O-CB 3.17Å; E256-Q260 PolarHBondContact O-N 3.32Å; V257-Q260 PolarHBondContact O-N 3.43Å; I258-Q260 VanDerWaalsContact C-N 3.35Å; I258-Q260 PolarHBondContact O-N 2.85Å; Q260-N264 PolarHBondContact NE2-ND2 3.47Å; Q260-N264 WeakPolarHBondContact O-CB 3.34Å; Q260-N264 PolarHBondContact O-N 2.9Å; Q260-N264 PolarHBondContact O-ND2 3.49Å |
| 261 | L | 95.1 | Very high | 94.2 | Very high | 95 Ų | 95 | 90.9 Ų | 90.9 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 174.5 | -76.1 | 172.4 | 0 | 0 | 0 | 111.6 | V257 I258 N264 L265 | V257-L261 HydrophobicContact CG1-CD1 3.95Å; V257-L261 HydrophobicContact CG1-CG 4.4Å; V257-L261 WeakPolarHBondContact O-CB 3.34Å; V257-L261 VanDerWaalsContact O-CG 3.29Å; V257-L261 WeakPolarHBondContact O-CG 3.36Å; V257-L261 PolarHBondContact O-N 3.39Å; I258-L261 PolarHBondContact O-N 2.98Å; L261-N264 PolarHBondContact O-N 3.48Å; L261-L265 WeakPolarHBondContact O-CB 3.29Å; L261-L265 PolarHBondContact O-N 3.04Å |
| 262 | N | 95 | Very high | 93.9 | Very high | 89 Ų | 89 | 91 Ų | 91 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 175.1 | -75.6 | -25.6 | 0 | 0 | 0 | 111.3 | I258 S259 N264 L265 T266 | I258-N262 WeakPolarHBondContact O-CB 3.42Å; I258-N262 VanDerWaalsContact O-CG 3.25Å; I258-N262 PolarHBondContact O-N 3.23Å; I258-N262 PolarHBondContact O-ND2 2.85Å; S259-N262 PolarHBondContact O-N 3.43Å; N262-N264 PolarHBondContact O-N 3.11Å; N262-L265 PolarHBondContact O-N 2.94Å; N262-L265 VanDerWaalsContact O-N 3.13Å; N262-T266 PolarHBondContact O-N 2.89Å; N262-T266 PolarHBondContact O-OG1 3.06Å; N262-T266 VanDerWaalsContact O-OG1 3.07Å |
| 263 | H | 95.3 | Very high | 93.5 | Very high | 112 Ų | 112 | 92.7 Ų | 92.7 | 52% | 0.519 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.2 | -46.8 | 174.4 | 177.8 | 64.8 | 0 | 0 | 0 | 112 | S259 L265 T266 V267 | S259-H263 WeakPolarHBondContact O-CB 3.44Å; S259-H263 PolarHBondContact O-N 2.97Å; H263-L265 VanDerWaalsContact C-N 3.29Å; H263-L265 PolarHBondContact O-N 3.44Å; H263-T266 PolarHBondContact O-N 3.25Å; H263-V267 WeakPolarHBondContact O-CG2 3.35Å; H263-V267 PolarHBondContact O-N 3.15Å |
| 264 | N | 95.6 | Very high | 93.1 | Very high | 48 Ų | 48 | 94.7 Ų | 94.7 | 26% | 0.257 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.8 | -32.2 | 176.8 | -84.8 | -89.4 | 0 | 0 | 0 | 113.1 | Q260 L261 N262 K268 | Q260-N264 PolarHBondContact NE2-ND2 3.47Å; Q260-N264 WeakPolarHBondContact O-CB 3.34Å; Q260-N264 PolarHBondContact O-N 2.9Å; Q260-N264 PolarHBondContact O-ND2 3.49Å; L261-N264 PolarHBondContact O-N 3.48Å; N262-N264 PolarHBondContact O-N 3.11Å; N264-K268 WeakPolarHBondContact O-CD 3.45Å; N264-K268 VanDerWaalsContact O-CG 3.26Å; N264-K268 WeakPolarHBondContact O-CG 3.41Å; N264-K268 PolarHBondContact O-N 3.47Å |
| 265 | L | 92.2 | Very high | 92.6 | Very high | 112 Ų | 112 | 93.4 Ų | 93.4 | 59% | 0.586 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -71.6 | -48 | 175.1 | -156.1 | 167.3 | 0 | 0 | 0 | 110.1 | L261 N262 H263 V267 K268 D269 | L261-L265 WeakPolarHBondContact O-CB 3.29Å; L261-L265 PolarHBondContact O-N 3.04Å; N262-L265 PolarHBondContact O-N 2.94Å; N262-L265 VanDerWaalsContact O-N 3.13Å; H263-L265 VanDerWaalsContact C-N 3.29Å; H263-L265 PolarHBondContact O-N 3.44Å; L265-V267 VanDerWaalsContact C-N 3.32Å; L265-V267 PolarHBondContact O-N 3.05Å; L265-K268 PolarHBondContact O-N 2.92Å; L265-K268 VanDerWaalsContact O-N 3.1Å; L265-D269 WeakPolarHBondContact O-CB 3.46Å; L265-D269 PolarHBondContact O-N 3.36Å |
| 266 | T | 94.1 | Very high | 91.8 | Very high | 76 Ų | 76 | 94.5 Ų | 94.5 | 47% | 0.466 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 175.1 | -55.5 | 0 | 0 | 0 | 0 | 112.6 | N262 H263 D269 N270 | N262-T266 PolarHBondContact O-N 2.89Å; N262-T266 PolarHBondContact O-OG1 3.06Å; N262-T266 VanDerWaalsContact O-OG1 3.07Å; H263-T266 PolarHBondContact O-N 3.25Å; T266-D269 PolarHBondContact O-N 3.4Å; T266-N270 WeakPolarHBondContact O-CB 3.35Å; T266-N270 PolarHBondContact O-N 3.17Å; T266-N270 PolarHBondContact O-ND2 2.86Å |
| 267 | V | 94.7 | Very high | 91 | Very high | 71 Ų | 71 | 95.7 Ų | 95.7 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 174.8 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | H263 L265 L271 | H263-V267 WeakPolarHBondContact O-CG2 3.35Å; H263-V267 PolarHBondContact O-N 3.15Å; L265-V267 VanDerWaalsContact C-N 3.32Å; L265-V267 PolarHBondContact O-N 3.05Å; V267-L271 WeakPolarHBondContact O-CB 3.41Å; V267-L271 PolarHBondContact O-N 3.13Å |
| 268 | K | 94.6 | Very high | 90 | Very high | 91 Ų | 91 | 95.2 Ų | 95.2 | 40% | 0.396 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.8 | -39.5 | 177.1 | -72.6 | 167.2 | -171.1 | 170 | 0 | 112.5 | N264 L265 L271 L272 H1035 | N264-K268 WeakPolarHBondContact O-CD 3.45Å; N264-K268 VanDerWaalsContact O-CG 3.26Å; N264-K268 WeakPolarHBondContact O-CG 3.41Å; N264-K268 PolarHBondContact O-N 3.47Å; L265-K268 PolarHBondContact O-N 2.92Å; L265-K268 VanDerWaalsContact O-N 3.1Å; K268-L271 PolarHBondContact O-N 2.75Å; K268-L272 WeakPolarHBondContact O-CB 3.3Å; K268-L272 VanDerWaalsContact O-CG 3.31Å; K268-L272 WeakPolarHBondContact O-CG 3.41Å; K268-L272 PolarHBondContact O-N 3.49Å; K268-H1035 PolarHBondContact NZ-CD2 2.83Å; K268-H1035 VanDerWaalsContact NZ-CD2 3.34Å; K268-H1035 PolarHBondContact NZ-CE1 3.28Å; K268-H1035 VanDerWaalsContact NZ-CE1 3.32Å; K268-H1035 PolarHBondContact NZ-NE2 3.03Å |
| 269 | D | 93.8 | Very high | 88.8 | Confident | 78 Ų | 78 | 94.4 Ų | 94.4 | 42% | 0.417 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 176.7 | -172 | 65.3 | 0 | 0 | 0 | 111.7 | L265 T266 L271 L272 R273 | L265-D269 WeakPolarHBondContact O-CB 3.46Å; L265-D269 PolarHBondContact O-N 3.36Å; T266-D269 PolarHBondContact O-N 3.4Å; D269-L271 VanDerWaalsContact C-N 3.32Å; D269-L271 PolarHBondContact O-N 3.36Å; D269-L272 PolarHBondContact O-N 3.48Å; D269-R273 WeakPolarHBondContact O-CB 3.25Å; D269-R273 PolarHBondContact O-N 2.84Å; D269-R273 IonicContact OD2-CZ 3.72Å; D269-R273 IonicContact OD2-NH2 2.66Å; D269-R273 PolarHBondContact OD2-NH2 2.85Å |
| 270 | N | 91.1 | Very high | 87.1 | Confident | 67 Ų | 67 | 94.8 Ų | 94.8 | 36% | 0.358 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.1 | -40.5 | 171.8 | -73.3 | -26.1 | 0 | 0 | 0 | 112.3 | T266 R273 I274 | T266-N270 WeakPolarHBondContact O-CB 3.35Å; T266-N270 PolarHBondContact O-N 3.17Å; T266-N270 PolarHBondContact O-ND2 2.86Å; N270-R273 PolarHBondContact O-N 2.91Å; N270-R273 PolarHBondContact OD1-NH1 3.42Å; N270-R273 PolarHBondContact OD1-NH2 2.8Å; N270-I274 WeakPolarHBondContact O-CG1 3.47Å; N270-I274 PolarHBondContact O-N 3.05Å |
| 271 | L | 90.3 | Very high | 85.3 | Confident | 88 Ų | 88 | 94.5 Ų | 94.5 | 46% | 0.461 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.1 | -40.8 | 177.1 | -177.9 | 61.4 | 0 | 0 | 0 | 112.4 | V267 K268 D269 R273 I274 F275 | V267-L271 WeakPolarHBondContact O-CB 3.41Å; V267-L271 PolarHBondContact O-N 3.13Å; K268-L271 PolarHBondContact O-N 2.75Å; D269-L271 VanDerWaalsContact C-N 3.32Å; D269-L271 PolarHBondContact O-N 3.36Å; L271-R273 VanDerWaalsContact C-N 3.3Å; L271-R273 PolarHBondContact O-N 2.83Å; L271-I274 WeakPolarHBondContact O-CB 3.48Å; L271-I274 PolarHBondContact O-N 3.17Å; L271-F275 HydrophobicContact CD1-CD2 4.1Å; L271-F275 HydrophobicContact CD1-CE2 3.68Å; L271-F275 HydrophobicContact CD1-CZ 4.43Å; L271-F275 HydrophobicContact CD2-CE2 4.15Å; L271-F275 HydrophobicContact CG-CD2 3.94Å; L271-F275 HydrophobicContact CG-CE2 3.69Å; L271-F275 WeakPolarHBondContact O-CD2 3.35Å; L271-F275 PolarHBondContact O-N 3.01Å |
| 272 | L | 86.1 | Confident | 83.5 | Confident | 103 Ų | 103 | 96 Ų | 96 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -39 | 173.3 | -74.1 | 169 | 0 | 0 | 0 | 111.5 | K268 D269 I274 F275 L276 | K268-L272 WeakPolarHBondContact O-CB 3.3Å; K268-L272 VanDerWaalsContact O-CG 3.31Å; K268-L272 WeakPolarHBondContact O-CG 3.41Å; K268-L272 PolarHBondContact O-N 3.49Å; D269-L272 PolarHBondContact O-N 3.48Å; L272-I274 VanDerWaalsContact C-N 3.27Å; L272-I274 PolarHBondContact O-N 2.66Å; L272-F275 PolarHBondContact O-N 2.84Å; L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 WeakPolarHBondContact O-CG 3.33Å; L272-L276 PolarHBondContact O-N 2.91Å |
| 273 | R | 86.5 | Confident | 81.5 | Confident | 128 Ų | 128 | 96.3 Ų | 96.3 | 48% | 0.483 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -28.1 | 176.3 | -149.9 | -178.5 | -47.8 | 111.1 | 6.1 | 113.1 | D269 N270 L271 R277 | D269-R273 WeakPolarHBondContact O-CB 3.25Å; D269-R273 PolarHBondContact O-N 2.84Å; D269-R273 IonicContact OD2-CZ 3.72Å; D269-R273 IonicContact OD2-NH2 2.66Å; D269-R273 PolarHBondContact OD2-NH2 2.85Å; N270-R273 PolarHBondContact O-N 2.91Å; N270-R273 PolarHBondContact OD1-NH1 3.42Å; N270-R273 PolarHBondContact OD1-NH2 2.8Å; L271-R273 VanDerWaalsContact C-N 3.3Å; L271-R273 PolarHBondContact O-N 2.83Å; R273-R277 WeakPolarHBondContact O-CB 3.49Å; R273-R277 PolarHBondContact O-N 3.37Å |
| 274 | I | 85.4 | Confident | 79.7 | Confident | 90 Ų | 90 | 97.5 Ų | 97.5 | 46% | 0.462 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.6 | -52.4 | 169.8 | -66.6 | 164.1 | 0 | 0 | 0 | 109.7 | N270 L271 L272 L276 R277 D278 | N270-I274 WeakPolarHBondContact O-CG1 3.47Å; N270-I274 PolarHBondContact O-N 3.05Å; L271-I274 WeakPolarHBondContact O-CB 3.48Å; L271-I274 PolarHBondContact O-N 3.17Å; L272-I274 VanDerWaalsContact C-N 3.27Å; L272-I274 PolarHBondContact O-N 2.66Å; I274-L276 VanDerWaalsContact C-N 3.29Å; I274-L276 PolarHBondContact O-N 3.03Å; I274-R277 PolarHBondContact O-N 3.21Å; I274-R277 VanDerWaalsContact O-N 3.11Å; I274-D278 WeakPolarHBondContact CG2-OD2 3.48Å; I274-D278 WeakPolarHBondContact O-CB 3.26Å; I274-D278 VanDerWaalsContact O-CG 3.32Å; I274-D278 PolarHBondContact O-N 2.97Å |
| 275 | F | 81.8 | Confident | 77.8 | Confident | 124 Ų | 124 | 101.3 Ų | 101.3 | 54% | 0.544 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -33.4 | 179.6 | -79.1 | -60.2 | 0 | 0 | 0 | 114.3 | L271 L272 S279 | L271-F275 HydrophobicContact CD1-CD2 4.1Å; L271-F275 HydrophobicContact CD1-CE2 3.68Å; L271-F275 HydrophobicContact CD1-CZ 4.43Å; L271-F275 HydrophobicContact CD2-CE2 4.15Å; L271-F275 HydrophobicContact CG-CD2 3.94Å; L271-F275 HydrophobicContact CG-CE2 3.69Å; L271-F275 WeakPolarHBondContact O-CD2 3.35Å; L271-F275 PolarHBondContact O-N 3.01Å; L272-F275 PolarHBondContact O-N 2.84Å; F275-S279 WeakPolarHBondContact O-CB 3.48Å; F275-S279 PolarHBondContact O-N 3.13Å; F275-S279 PolarHBondContact O-OG 2.99Å |
| 276 | L | 80.2 | Confident | 75.8 | Confident | 105 Ų | 105 | 101.7 Ų | 101.7 | 55% | 0.55 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -56.7 | 170.5 | -78.3 | 160.8 | 0 | 0 | 0 | 110.2 | L272 I274 D278 S279 D280 | L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 WeakPolarHBondContact O-CG 3.33Å; L272-L276 PolarHBondContact O-N 2.91Å; I274-L276 VanDerWaalsContact C-N 3.29Å; I274-L276 PolarHBondContact O-N 3.03Å; L276-D278 PolarHBondContact O-N 2.87Å; L276-D278 VanDerWaalsContact O-N 3.15Å; L276-S279 CarbonylContact O-C 3.57Å; L276-S279 WeakPolarHBondContact O-CA 3.48Å; L276-S279 WeakPolarHBondContact O-CB 3.43Å; L276-S279 PolarHBondContact O-N 2.96Å; L276-D280 PolarHBondContact O-N 2.9Å |
| 277 | R | 78.4 | Confident | 73.4 | Confident | 172 Ų | 172 | 105 Ų | 105 | 65% | 0.649 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -56.5 | -34.1 | 179 | -172.6 | -178.6 | -179.7 | -165.2 | -1.1 | 113.7 | R273 I274 Q281 | R273-R277 WeakPolarHBondContact O-CB 3.49Å; R273-R277 PolarHBondContact O-N 3.37Å; I274-R277 PolarHBondContact O-N 3.21Å; I274-R277 VanDerWaalsContact O-N 3.11Å; R277-Q281 WeakPolarHBondContact O-CG 3.31Å; R277-Q281 PolarHBondContact O-N 3.12Å; R277-Q281 PolarHBondContact O-NE2 3.21Å |
| 278 | D | 75.8 | Confident | 71.2 | Confident | 76 Ų | 76 | 110 Ų | 110 | 41% | 0.406 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -78 | -25.6 | 176.9 | -66.5 | -16.1 | 0 | 0 | 0 | 112.4 | I274 L276 I282 | I274-D278 WeakPolarHBondContact CG2-OD2 3.48Å; I274-D278 WeakPolarHBondContact O-CB 3.26Å; I274-D278 VanDerWaalsContact O-CG 3.32Å; I274-D278 PolarHBondContact O-N 2.97Å; L276-D278 PolarHBondContact O-N 2.87Å; L276-D278 VanDerWaalsContact O-N 3.15Å; D278-I282 WeakPolarHBondContact O-CD1 3.26Å; D278-I282 WeakPolarHBondContact O-CG1 3.27Å |
| 279 | S | 68 | Low | 68.8 | Low | 67 Ų | 67 | 113.9 Ų | 113.9 | 47% | 0.469 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -77.5 | -42.8 | 171.3 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | F275 L276 Q281 I282 T283 | F275-S279 WeakPolarHBondContact O-CB 3.48Å; F275-S279 PolarHBondContact O-N 3.13Å; F275-S279 PolarHBondContact O-OG 2.99Å; L276-S279 CarbonylContact O-C 3.57Å; L276-S279 WeakPolarHBondContact O-CA 3.48Å; L276-S279 WeakPolarHBondContact O-CB 3.43Å; L276-S279 PolarHBondContact O-N 2.96Å; S279-Q281 VanDerWaalsContact C-N 3.31Å; S279-Q281 PolarHBondContact O-N 2.88Å; S279-I282 WeakPolarHBondContact O-CA 3.4Å; S279-I282 WeakPolarHBondContact O-CB 3.28Å; S279-I282 PolarHBondContact O-N 3.48Å; S279-T283 PolarHBondContact O-N 2.85Å |
| 280 | D | 59.5 | Low | 66.3 | Low | 84 Ų | 84 | 114.6 Ų | 114.6 | 45% | 0.449 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.3 | -42.2 | 179.6 | -57.8 | -26 | 0 | 0 | 0 | 110.6 | L276 I282 T283 D284 | L276-D280 PolarHBondContact O-N 2.9Å; D280-I282 PolarHBondContact O-N 3.4Å; D280-I282 VanDerWaalsContact O-N 3.12Å; D280-T283 WeakPolarHBondContact CA-OG1 3.47Å; D280-T283 PolarHBondContact O-N 2.85Å; D280-T283 PolarHBondContact O-OG1 3Å; D280-D284 PolarHBondContact O-N 3.11Å |
| 281 | Q | 56.9 | Low | 64 | Low | 108 Ų | 108 | 117 Ų | 117 | 51% | 0.505 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63 | -13.7 | 172.9 | -80.7 | 171.1 | 105.8 | 0 | 0 | 114.8 | R277 S279 | R277-Q281 WeakPolarHBondContact O-CG 3.31Å; R277-Q281 PolarHBondContact O-N 3.12Å; R277-Q281 PolarHBondContact O-NE2 3.21Å; S279-Q281 VanDerWaalsContact C-N 3.31Å; S279-Q281 PolarHBondContact O-N 2.88Å |
| 282 | I | 57.5 | Low | 61.5 | Low | 127 Ų | 127 | 118.7 Ų | 118.7 | 65% | 0.651 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -96.9 | -23.5 | 175.4 | -65.4 | 169.4 | 0 | 0 | 0 | 110.8 | D278 S279 D280 | D278-I282 WeakPolarHBondContact O-CD1 3.26Å; D278-I282 WeakPolarHBondContact O-CG1 3.27Å; S279-I282 WeakPolarHBondContact O-CA 3.4Å; S279-I282 WeakPolarHBondContact O-CB 3.28Å; S279-I282 PolarHBondContact O-N 3.48Å; D280-I282 PolarHBondContact O-N 3.4Å; D280-I282 VanDerWaalsContact O-N 3.12Å |
| 283 | T | 54.4 | Low | 59 | Low | 95 Ų | 95 | 120.8 Ų | 120.8 | 58% | 0.583 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -82.8 | -26.8 | 177.8 | 45.6 | 0 | 0 | 0 | 0 | 114.4 | S279 D280 I285 | S279-T283 PolarHBondContact O-N 2.85Å; D280-T283 WeakPolarHBondContact CA-OG1 3.47Å; D280-T283 PolarHBondContact O-N 2.85Å; D280-T283 PolarHBondContact O-OG1 3Å; T283-I285 PolarHBondContact O-N 2.98Å |
| 284 | D | 56.4 | Low | 56.6 | Low | 138 Ų | 138 | 120.4 Ų | 120.4 | 74% | 0.738 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 16.9 | -176.5 | -73.5 | -12 | 0 | 0 | 0 | 115.8 | D280 | D280-D284 PolarHBondContact O-N 3.11Š|
| 285 | I | 57.1 | Low | 54.5 | Low | 127 Ų | 127 | 121.9 Ų | 121.9 | 65% | 0.651 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | -16.6 | -168.9 | -67.7 | 179.5 | 0 | 0 | 0 | 114.4 | T283 | T283-I285 PolarHBondContact O-N 2.98Š|
| 286 | N | 48.3 | Very low | 52.2 | Low | 120 Ų | 120 | 119.2 Ų | 119.2 | 64% | 0.642 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -128.4 | 106.3 | -175.1 | -53.3 | -89.2 | 0 | 0 | 0 | 113.8 | ||
| 287 | D | 45.2 | Very low | 50.2 | Low | 147 Ų | 147 | 126.2 Ų | 126.2 | 79% | 0.786 | 69% | 0.691 | S | S | * | * | trans | 59.6 | 121.5 | 136.2 | -54.4 | -42 | 0 | 0 | 0 | 122.1 | E289 | D287-E289 PolarHBondContact O-N 3.28Å; D287-E289 VanDerWaalsContact O-N 3.07Å | ||
| 288 | D | 48.7 | Very low | 48.1 | Very low | 174 Ų | 174 | 121.8 Ų | 121.8 | 93% | 0.93 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -64.1 | 89.2 | 162.5 | -62.1 | -86 | 0 | 0 | 0 | 112.9 | ||
| 289 | E | 43.9 | Very low | 46.1 | Very low | 174 Ų | 174 | 124 Ų | 124 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | trans | -158.6 | 162.3 | 159.5 | -101.4 | -104.2 | 123.7 | 0 | 0 | 111.9 | D287 | D287-E289 PolarHBondContact O-N 3.28Å; D287-E289 VanDerWaalsContact O-N 3.07Å | ||
| 290 | V | 40.9 | Very low | 44.8 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 56% | 0.564 | 73% | 0.727 | S | S | * | * | trans | 57.9 | 81.9 | 174.4 | -165.3 | 0 | 0 | 0 | 0 | 116.4 | V292 | V290-V292 VanDerWaalsContact CG1-O 3.28Å; V290-V292 WeakPolarHBondContact CG1-O 3.4Å | ||
| 291 | S | 43 | Very low | 43.6 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -65.6 | 142.5 | 132.1 | -75.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 292 | V | 38.2 | Very low | 42.6 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 81 | 103.1 | 176.1 | -172.9 | 0 | 0 | 0 | 0 | 115.9 | V290 | V290-V292 VanDerWaalsContact CG1-O 3.28Å; V290-V292 WeakPolarHBondContact CG1-O 3.4Å |
| 293 | L | 33.4 | Very low | 41.5 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | 81.8 | 147.1 | 164.9 | -59.4 | 165.1 | 0 | 0 | 0 | 119.1 | ||||
| 294 | S | 36.1 | Very low | 40.9 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 86.7 | 152.5 | 162.4 | -53.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 295 | S | 40.2 | Very low | 39.9 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | cis | -172.2 | 158.7 | -28.7 | -172.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 296 | G | 34.6 | Very low | 38.8 | Very low | 68 Ų | 68 | 139.2 Ų | 139.2 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 120.8 | 142.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 297 | R | 36.9 | Very low | 38.1 | Very low | 251 Ų | 251 | 141.5 Ų | 141.5 | 95% | 0.947 | 81% | 0.809 | S | S | * | * | S | Bend | cis | -158.1 | 145.5 | 3.2 | -139.9 | 176.3 | 165.8 | 174.3 | -5.1 | 106 | ||
| 298 | A | 35.4 | Very low | 37.4 | Very low | 79 Ų | 79 | 139.4 Ų | 139.4 | 65% | 0.653 | 81% | 0.806 | S | S | * | * | cis | -150.8 | 147.4 | 10.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 299 | S | 33.6 | Very low | 36.7 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -165.7 | 110.9 | 158.2 | -83.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 300 | P | 40.3 | Very low | 36.5 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -95.6 | 143.3 | -173.1 | -0.6 | 20.6 | 0 | 0 | 0 | 113.8 | ||||
| 301 | V | 35 | Very low | 36.2 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | 70.7 | 137.7 | 141.9 | 171.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 302 | R | 35.2 | Very low | 35.9 | Very low | 230 Ų | 230 | 133 Ų | 133 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | cis | -170.9 | 111.3 | -20 | 174.1 | 177.8 | -178 | 169.8 | -0.3 | 107.3 | ||||
| 303 | S | 33.9 | Very low | 35.9 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -126 | 97.3 | -177.7 | 43.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 304 | Q | 41.5 | Very low | 36.1 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | trans | -140.9 | 117.9 | 159.8 | -73.4 | -167.7 | -11.9 | 0 | 0 | 109.5 | ||||
| 305 | Q | 36.3 | Very low | 36.4 | Very low | 205 Ų | 205 | 130.6 Ų | 130.6 | 96% | 0.958 | 83% | 0.83 | S | S | * | * | trans | -80 | 131.5 | 161.3 | -70.1 | 171.6 | -37.9 | 0 | 0 | 107.6 | ||||
| 306 | G | 34 | Very low | 36.2 | Very low | 67 Ų | 67 | 127.6 Ų | 127.6 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | -171.5 | 91.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 307 | L | 33.7 | Very low | 36.6 | Very low | 167 Ų | 167 | 134 Ų | 134 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | 64.5 | 119.7 | 153.5 | -54.1 | 174.5 | 0 | 0 | 0 | 119.2 | ||||
| 308 | S | 31.3 | Very low | 36.8 | Very low | 104 Ų | 104 | 127 Ų | 127 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | 69.8 | 99.1 | 133 | -55.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 309 | S | 33.1 | Very low | 37.2 | Very low | 121 Ų | 121 | 131 Ų | 131 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | 71.4 | 172.2 | 128.6 | 76 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 310 | S | 39.4 | Very low | 38.1 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | trans | 71.1 | 106.5 | -178.5 | -152.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 311 | A | 35.1 | Very low | 38.5 | Very low | 104 Ų | 104 | 130 Ų | 130 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -77.9 | 157.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 312 | G | 36.8 | Very low | 39.4 | Very low | 78 Ų | 78 | 127.8 Ų | 127.8 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 155.2 | 128.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 313 | G | 38.6 | Very low | 40.6 | Very low | 87 Ų | 87 | 122.4 Ų | 122.4 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | 75.8 | 119.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 314 | G | 36.4 | Very low | 42.7 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -115.6 | 171.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 315 | D | 42.8 | Very low | 44.6 | Very low | 175 Ų | 175 | 118.6 Ų | 118.6 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | trans | -153.7 | 170.3 | 132.3 | -136.8 | -33.6 | 0 | 0 | 0 | 111.4 | ||||
| 316 | G | 36.8 | Very low | 46.7 | Very low | 59 Ų | 59 | 114.8 Ų | 114.8 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | trans | -72.4 | 142.9 | -154.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 317 | F | 41.8 | Very low | 49.2 | Very low | 204 Ų | 204 | 116.7 Ų | 116.7 | 90% | 0.895 | 75% | 0.752 | S | S | * | * | trans | -129.4 | 116.1 | 144.7 | -94 | -84.5 | 0 | 0 | 0 | 108.8 | L319 | F317-L319 PolarHBondContact O-N 3.25Š| ||
| 318 | S | 41.1 | Very low | 51.8 | Low | 103 Ų | 103 | 113.7 Ų | 113.7 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | trans | -76.9 | 111.6 | -172.8 | -58.3 | 0 | 0 | 0 | 0 | 112.7 | S320 | S318-S320 PolarHBondContact O-N 2.91Å; S318-S320 VanDerWaalsContact O-N 3.13Å | ||
| 319 | L | 45.3 | Very low | 54.7 | Low | 162 Ų | 162 | 114.7 Ų | 114.7 | 85% | 0.848 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -70.8 | -0.2 | 179.5 | -69.7 | 166.5 | 0 | 0 | 0 | 115 | F317 S321 | F317-L319 PolarHBondContact O-N 3.25Å; L319-S321 PolarHBondContact O-N 3.44Å |
| 320 | S | 51.1 | Low | 57.6 | Low | 112 Ų | 112 | 114.9 Ų | 114.9 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -78.4 | -9 | -171.7 | 48.9 | 0 | 0 | 0 | 0 | 115.7 | S318 | S318-S320 PolarHBondContact O-N 2.91Å; S318-S320 VanDerWaalsContact O-N 3.13Å |
| 321 | S | 49 | Very low | 60.1 | Low | 108 Ų | 108 | 113.3 Ų | 113.3 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -90.5 | -1.7 | -177.5 | -168.5 | 0 | 0 | 0 | 0 | 114.7 | L319 N323 | L319-S321 PolarHBondContact O-N 3.44Å; S321-N323 PolarHBondContact O-N 3.48Å |
| 322 | V | 55.3 | Low | 62.9 | Low | 92 Ų | 92 | 109.9 Ų | 109.9 | 56% | 0.558 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -81.4 | 109.2 | 174.3 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | F324 L327 | V322-F324 PolarHBondContact O-N 3.03Å; V322-L327 HydrophobicContact CG1-CD1 3.57Å; V322-L327 HydrophobicContact CG1-CG 4.02Å |
| 323 | N | 59.7 | Low | 65.7 | Low | 117 Ų | 117 | 109.6 Ų | 109.6 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | trans | -58.3 | 101.2 | 179.8 | -86.6 | -30.8 | 0 | 0 | 0 | 111.1 | S321 A325 Q326 L327 | S321-N323 PolarHBondContact O-N 3.48Å; N323-A325 PolarHBondContact O-N 3.31Å; N323-Q326 HydrophobicContact CB-CB 3.66Å; N323-Q326 WeakPolarHBondContact O-CA 3.41Å; N323-Q326 WeakPolarHBondContact O-CB 3.49Å; N323-Q326 PolarHBondContact O-N 2.87Å; N323-L327 PolarHBondContact O-N 3.17Å | ||
| 324 | F | 76.7 | Confident | 68.4 | Low | 154 Ų | 154 | 109.4 Ų | 109.4 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -51.3 | -41.3 | 176.2 | 176.6 | -101.4 | 0 | 0 | 0 | 111.8 | V322 Q326 L327 H328 | V322-F324 PolarHBondContact O-N 3.03Å; F324-Q326 PolarHBondContact O-N 3.5Å; F324-L327 PolarHBondContact O-N 2.94Å; F324-H328 AromaticContact CD2-CD2 3.98Å; F324-H328 AromaticContact CE1-CD2 3.54Å; F324-H328 AromaticContact CE1-NE2 3.94Å; F324-H328 AromaticContact CE2-CD2 3.49Å; F324-H328 VanDerWaalsContact CE2-CD2 3.49Å; F324-H328 WeakPolarHBondContact CE2-CD2 3.46Å; F324-H328 AromaticContact CE2-NE2 3.54Å; F324-H328 AromaticContact CZ-CD2 3.25Å; F324-H328 WeakPolarHBondContact CZ-CD2 3.44Å; F324-H328 AromaticContact CZ-NE2 3.23Å; F324-H328 WeakPolarHBondContact CZ-NE2 3.38Å; F324-H328 WeakPolarHBondContact O-CB 3.33Å; F324-H328 PolarHBondContact O-N 3.4Å |
| 325 | A | 81.8 | Confident | 71.2 | Confident | 74 Ų | 74 | 110.8 Ų | 110.8 | 61% | 0.612 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.8 | -34.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N323 K329 | N323-A325 PolarHBondContact O-N 3.31Å; A325-K329 WeakPolarHBondContact O-CB 3.23Å; A325-K329 PolarHBondContact O-N 3.15Å |
| 326 | Q | 81.6 | Confident | 73.6 | Confident | 125 Ų | 125 | 108.6 Ų | 108.6 | 58% | 0.584 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -74.3 | -36.5 | 178.1 | -166.6 | 70 | 32.1 | 0 | 0 | 111.4 | N323 F324 K330 | N323-Q326 HydrophobicContact CB-CB 3.66Å; N323-Q326 WeakPolarHBondContact O-CA 3.41Å; N323-Q326 WeakPolarHBondContact O-CB 3.49Å; N323-Q326 PolarHBondContact O-N 2.87Å; F324-Q326 PolarHBondContact O-N 3.5Å; Q326-K330 WeakPolarHBondContact O-CB 3.36Å; Q326-K330 PolarHBondContact O-N 3.19Å |
| 327 | L | 86.1 | Confident | 76.4 | Confident | 107 Ų | 107 | 110.8 Ų | 110.8 | 56% | 0.56 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.5 | -46.4 | 171 | -78.7 | -178.6 | 0 | 0 | 0 | 111.5 | V322 N323 F324 K329 K330 L331 | V322-L327 HydrophobicContact CG1-CD1 3.57Å; V322-L327 HydrophobicContact CG1-CG 4.02Å; N323-L327 PolarHBondContact O-N 3.17Å; F324-L327 PolarHBondContact O-N 2.94Å; L327-K329 VanDerWaalsContact C-N 3.34Å; L327-K329 PolarHBondContact O-N 2.92Å; L327-K330 PolarHBondContact O-N 2.92Å; L327-L331 VanDerWaalsContact O-CB 3.3Å; L327-L331 WeakPolarHBondContact O-CB 3.49Å; L327-L331 PolarHBondContact O-N 3.4Å |
| 328 | H | 88.2 | Confident | 78.8 | Confident | 104 Ų | 104 | 104.7 Ų | 104.7 | 48% | 0.481 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.8 | -40.7 | 176.5 | -102.2 | -76.2 | 0 | 0 | 0 | 112.4 | F324 L331 G332 | F324-H328 AromaticContact CD2-CD2 3.98Å; F324-H328 AromaticContact CE1-CD2 3.54Å; F324-H328 AromaticContact CE1-NE2 3.94Å; F324-H328 AromaticContact CE2-CD2 3.49Å; F324-H328 VanDerWaalsContact CE2-CD2 3.49Å; F324-H328 WeakPolarHBondContact CE2-CD2 3.46Å; F324-H328 AromaticContact CE2-NE2 3.54Å; F324-H328 AromaticContact CZ-CD2 3.25Å; F324-H328 WeakPolarHBondContact CZ-CD2 3.44Å; F324-H328 AromaticContact CZ-NE2 3.23Å; F324-H328 WeakPolarHBondContact CZ-NE2 3.38Å; F324-H328 WeakPolarHBondContact O-CB 3.33Å; F324-H328 PolarHBondContact O-N 3.4Å; H328-L331 PolarHBondContact O-N 2.94Å; H328-G332 PolarHBondContact O-N 3.4Å |
| 329 | K | 91.9 | Very high | 81.4 | Confident | 125 Ų | 125 | 104 Ų | 104 | 54% | 0.543 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.7 | -54 | 172.4 | -173.7 | -174.9 | 170 | -179.4 | 0 | 110.5 | A325 L327 L331 G332 D333 | A325-K329 WeakPolarHBondContact O-CB 3.23Å; A325-K329 PolarHBondContact O-N 3.15Å; L327-K329 VanDerWaalsContact C-N 3.34Å; L327-K329 PolarHBondContact O-N 2.92Å; K329-L331 PolarHBondContact O-N 3.46Å; K329-G332 CarbonylContact O-C 3.57Å; K329-G332 WeakPolarHBondContact O-CA 3.43Å; K329-G332 PolarHBondContact O-N 3.3Å; K329-D333 WeakPolarHBondContact CE-OD1 3.44Å; K329-D333 WeakPolarHBondContact CE-OD2 3.4Å; K329-D333 PolarHBondContact O-N 2.94Å |
| 330 | K | 93.4 | Very high | 83.8 | Confident | 126 Ų | 126 | 100.9 Ų | 100.9 | 55% | 0.548 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -30 | -176.9 | -169.7 | 171.8 | -177.2 | 179.9 | 0 | 112.7 | Q326 L327 L334 | Q326-K330 WeakPolarHBondContact O-CB 3.36Å; Q326-K330 PolarHBondContact O-N 3.19Å; L327-K330 PolarHBondContact O-N 2.92Å; K330-L334 HydrophobicContact CG-CD1 4.15Å; K330-L334 HydrophobicContact CG-CG 4.49Å; K330-L334 VanDerWaalsContact O-CB 3.31Å; K330-L334 WeakPolarHBondContact O-CB 3.39Å; K330-L334 WeakPolarHBondContact O-CD1 3.34Å; K330-L334 WeakPolarHBondContact O-CG 3.38Å; K330-L334 PolarHBondContact O-N 3.32Å |
| 331 | L | 92.7 | Very high | 85.9 | Confident | 87 Ų | 87 | 100.1 Ų | 100.1 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.9 | -48.6 | 170.8 | -178.3 | 63 | 0 | 0 | 0 | 110.7 | L327 H328 K329 L334 E335 | L327-L331 VanDerWaalsContact O-CB 3.3Å; L327-L331 WeakPolarHBondContact O-CB 3.49Å; L327-L331 PolarHBondContact O-N 3.4Å; H328-L331 PolarHBondContact O-N 2.94Å; K329-L331 PolarHBondContact O-N 3.46Å; L331-L334 CarbonylContact O-C 3.58Å; L331-L334 PolarHBondContact O-N 3.41Å; L331-E335 HydrophobicContact CD1-CG 4.37Å; L331-E335 HydrophobicContact CG-CG 4.45Å; L331-E335 WeakPolarHBondContact CG-OE1 3.38Å; L331-E335 WeakPolarHBondContact O-CB 3.29Å; L331-E335 VanDerWaalsContact O-CG 3.3Å; L331-E335 WeakPolarHBondContact O-CG 3.44Å; L331-E335 PolarHBondContact O-N 2.87Å |
| 332 | G | 94.9 | Very high | 88.1 | Confident | 31 Ų | 31 | 101 Ų | 101 | 32% | 0.32 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H328 K329 L334 E335 E336 | H328-G332 PolarHBondContact O-N 3.4Å; K329-G332 CarbonylContact O-C 3.57Å; K329-G332 WeakPolarHBondContact O-CA 3.43Å; K329-G332 PolarHBondContact O-N 3.3Å; G332-L334 VanDerWaalsContact C-N 3.27Å; G332-L334 PolarHBondContact O-N 3.14Å; G332-E335 PolarHBondContact O-N 2.7Å; G332-E336 PolarHBondContact O-N 2.88Å |
| 333 | D | 94.7 | Very high | 90.1 | Very high | 72 Ų | 72 | 102.6 Ų | 102.6 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.3 | -42.7 | 174.8 | -59.5 | -27.7 | 0 | 0 | 0 | 110.5 | K329 E337 | K329-D333 WeakPolarHBondContact CE-OD1 3.44Å; K329-D333 WeakPolarHBondContact CE-OD2 3.4Å; K329-D333 PolarHBondContact O-N 2.94Å; D333-E337 WeakPolarHBondContact O-CB 3.4Å; D333-E337 PolarHBondContact O-N 3.49Å |
| 334 | L | 94.5 | Very high | 91.8 | Very high | 84 Ų | 84 | 100.7 Ų | 100.7 | 44% | 0.44 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75.9 | -30.2 | 177.7 | -74.3 | 170 | 0 | 0 | 0 | 113.7 | K330 L331 G332 N338 | K330-L334 HydrophobicContact CG-CD1 4.15Å; K330-L334 HydrophobicContact CG-CG 4.49Å; K330-L334 VanDerWaalsContact O-CB 3.31Å; K330-L334 WeakPolarHBondContact O-CB 3.39Å; K330-L334 WeakPolarHBondContact O-CD1 3.34Å; K330-L334 WeakPolarHBondContact O-CG 3.38Å; K330-L334 PolarHBondContact O-N 3.32Å; L331-L334 CarbonylContact O-C 3.58Å; L331-L334 PolarHBondContact O-N 3.41Å; G332-L334 VanDerWaalsContact C-N 3.27Å; G332-L334 PolarHBondContact O-N 3.14Å; L334-N338 VanDerWaalsContact O-CB 3.28Å; L334-N338 WeakPolarHBondContact O-CB 3.48Å; L334-N338 PolarHBondContact O-N 3.35Å |
| 335 | E | 95.3 | Very high | 92.7 | Very high | 106 Ų | 106 | 99.6 Ų | 99.6 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.7 | -40.6 | 173.6 | -77.8 | 171.8 | 177.3 | 0 | 0 | 110.5 | L331 G332 N338 N339 | L331-E335 HydrophobicContact CD1-CG 4.37Å; L331-E335 HydrophobicContact CG-CG 4.45Å; L331-E335 WeakPolarHBondContact CG-OE1 3.38Å; L331-E335 WeakPolarHBondContact O-CB 3.29Å; L331-E335 VanDerWaalsContact O-CG 3.3Å; L331-E335 WeakPolarHBondContact O-CG 3.44Å; L331-E335 PolarHBondContact O-N 2.87Å; G332-E335 PolarHBondContact O-N 2.7Å; E335-N338 PolarHBondContact O-N 2.89Å; E335-N339 WeakPolarHBondContact O-CB 3.26Å; E335-N339 VanDerWaalsContact O-CG 3.27Å; E335-N339 PolarHBondContact O-N 2.91Å; E335-N339 PolarHBondContact O-ND2 3.27Å |
| 336 | E | 94.8 | Very high | 93.3 | Very high | 129 Ų | 129 | 100.5 Ų | 100.5 | 60% | 0.603 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.1 | -47.8 | 170.8 | -173.5 | 167.7 | -156.3 | 0 | 0 | 111.2 | G332 N338 N339 L340 | G332-E336 PolarHBondContact O-N 2.88Å; E336-N338 VanDerWaalsContact C-N 3.34Å; E336-N338 PolarHBondContact O-N 2.96Å; E336-N339 PolarHBondContact O-N 3.2Å; E336-N339 VanDerWaalsContact O-N 3.15Å; E336-L340 HydrophobicContact CG-CD1 4.17Å; E336-L340 WeakPolarHBondContact O-CG 3.4Å; E336-L340 PolarHBondContact O-N 3.36Å |
| 337 | E | 94.7 | Very high | 94 | Very high | 105 Ų | 105 | 100.8 Ų | 100.8 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.2 | -43.3 | 174 | -169 | -173.9 | 167.1 | 0 | 0 | 111.9 | D333 N339 L340 L341 | D333-E337 WeakPolarHBondContact O-CB 3.4Å; D333-E337 PolarHBondContact O-N 3.49Å; E337-N339 VanDerWaalsContact C-N 3.31Å; E337-N339 PolarHBondContact O-N 3.46Å; E337-L340 PolarHBondContact O-N 3.04Å; E337-L341 HydrophobicContact CG-CD1 4.07Å; E337-L341 HydrophobicContact CG-CG 4.45Å; E337-L341 WeakPolarHBondContact O-CB 3.49Å; E337-L341 VanDerWaalsContact O-CG 3.31Å; E337-L341 WeakPolarHBondContact O-CG 3.38Å; E337-L341 PolarHBondContact O-N 3.32Å |
| 338 | N | 91.9 | Very high | 94.5 | Very high | 75 Ų | 75 | 100 Ų | 100 | 40% | 0.401 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66 | -34.3 | 178 | -151.9 | -99.4 | 0 | 0 | 0 | 112.1 | L334 E335 E336 R342 | L334-N338 VanDerWaalsContact O-CB 3.28Å; L334-N338 WeakPolarHBondContact O-CB 3.48Å; L334-N338 PolarHBondContact O-N 3.35Å; E335-N338 PolarHBondContact O-N 2.89Å; E336-N338 VanDerWaalsContact C-N 3.34Å; E336-N338 PolarHBondContact O-N 2.96Å; N338-R342 WeakPolarHBondContact O-CB 3.3Å; N338-R342 WeakPolarHBondContact O-CD 3.46Å; N338-R342 WeakPolarHBondContact O-CG 3.46Å; N338-R342 PolarHBondContact O-N 3.36Å; N338-R342 PolarHBondContact OD1-NE 3.19Å; N338-R342 PolarHBondContact OD1-NH2 3.35Å |
| 339 | N | 95.6 | Very high | 94.9 | Very high | 89 Ų | 89 | 97.9 Ų | 97.9 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.5 | -41.8 | 174.4 | -76.9 | -42.2 | 0 | 0 | 0 | 111.9 | E335 E336 E337 R342 Q343 | E335-N339 WeakPolarHBondContact O-CB 3.26Å; E335-N339 VanDerWaalsContact O-CG 3.27Å; E335-N339 PolarHBondContact O-N 2.91Å; E335-N339 PolarHBondContact O-ND2 3.27Å; E336-N339 PolarHBondContact O-N 3.2Å; E336-N339 VanDerWaalsContact O-N 3.15Å; E337-N339 VanDerWaalsContact C-N 3.31Å; E337-N339 PolarHBondContact O-N 3.46Å; N339-R342 WeakPolarHBondContact O-CB 3.44Å; N339-R342 PolarHBondContact O-N 3.1Å; N339-Q343 WeakPolarHBondContact O-CG 3.08Å; N339-Q343 PolarHBondContact O-N 2.92Å |
| 340 | L | 96.8 | Very high | 95.1 | Very high | 96 Ų | 96 | 95.4 Ų | 95.4 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 173.9 | -70.6 | 169.1 | 0 | 0 | 0 | 111.5 | E336 E337 R342 Q343 E344 | E336-L340 HydrophobicContact CG-CD1 4.17Å; E336-L340 WeakPolarHBondContact O-CG 3.4Å; E336-L340 PolarHBondContact O-N 3.36Å; E337-L340 PolarHBondContact O-N 3.04Å; L340-R342 VanDerWaalsContact C-N 3.26Å; L340-R342 PolarHBondContact O-N 3.41Å; L340-Q343 PolarHBondContact O-N 3Å; L340-Q343 VanDerWaalsContact O-N 3.16Å; L340-E344 WeakPolarHBondContact O-CB 3.29Å; L340-E344 PolarHBondContact O-N 3.24Å |
| 341 | L | 95.1 | Very high | 95.2 | Very high | 97 Ų | 97 | 91 Ų | 91 | 51% | 0.508 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.6 | -28 | 174.4 | -69.6 | 172.4 | 0 | 0 | 0 | 112.7 | E337 R345 | E337-L341 HydrophobicContact CG-CD1 4.07Å; E337-L341 HydrophobicContact CG-CG 4.45Å; E337-L341 WeakPolarHBondContact O-CB 3.49Å; E337-L341 VanDerWaalsContact O-CG 3.31Å; E337-L341 WeakPolarHBondContact O-CG 3.38Å; E337-L341 PolarHBondContact O-N 3.32Å; L341-R345 VanDerWaalsContact O-CB 3.3Å; L341-R345 WeakPolarHBondContact O-CB 3.47Å; L341-R345 PolarHBondContact O-N 3.29Å |
| 342 | R | 95.7 | Very high | 95.3 | Very high | 125 Ų | 125 | 88.9 Ų | 88.9 | 47% | 0.472 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -70.7 | -44.9 | 170.3 | -77.8 | 163.5 | -168.2 | -92.7 | -3.5 | 111.8 | N338 N339 L340 R345 N346 | N338-R342 WeakPolarHBondContact O-CB 3.3Å; N338-R342 WeakPolarHBondContact O-CD 3.46Å; N338-R342 WeakPolarHBondContact O-CG 3.46Å; N338-R342 PolarHBondContact O-N 3.36Å; N338-R342 PolarHBondContact OD1-NE 3.19Å; N338-R342 PolarHBondContact OD1-NH2 3.35Å; N339-R342 WeakPolarHBondContact O-CB 3.44Å; N339-R342 PolarHBondContact O-N 3.1Å; L340-R342 VanDerWaalsContact C-N 3.26Å; L340-R342 PolarHBondContact O-N 3.41Å; R342-R345 PolarHBondContact O-NH1 2.86Å; R342-N346 WeakPolarHBondContact O-CB 3.33Å; R342-N346 PolarHBondContact O-N 2.88Å; R342-N346 PolarHBondContact O-OD1 3.42Å |
| 343 | Q | 95.6 | Very high | 95.4 | Very high | 127 Ų | 127 | 91.7 Ų | 91.7 | 59% | 0.593 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62 | -45.9 | 176.6 | -70.2 | 171.9 | 32.3 | 0 | 0 | 110.9 | N339 L340 N346 R347 | N339-Q343 WeakPolarHBondContact O-CG 3.08Å; N339-Q343 PolarHBondContact O-N 2.92Å; L340-Q343 PolarHBondContact O-N 3Å; L340-Q343 VanDerWaalsContact O-N 3.16Å; Q343-N346 PolarHBondContact O-N 3.41Å; Q343-R347 WeakPolarHBondContact O-CB 3.44Å; Q343-R347 PolarHBondContact O-N 2.87Å |
| 344 | E | 95.4 | Very high | 95.5 | Very high | 77 Ų | 77 | 94.9 Ų | 94.9 | 36% | 0.36 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 179.2 | -180 | 58.6 | -169.8 | 0 | 0 | 112.3 | L340 N346 R347 L348 | L340-E344 WeakPolarHBondContact O-CB 3.29Å; L340-E344 PolarHBondContact O-N 3.24Å; E344-N346 VanDerWaalsContact C-N 3.3Å; E344-N346 PolarHBondContact O-N 3.17Å; E344-R347 PolarHBondContact O-N 3.46Å; E344-R347 IonicContact OE1-CZ 3.48Å; E344-R347 IonicContact OE1-NE 3.21Å; E344-R347 IonicContact OE1-NH2 2.6Å; E344-R347 PolarHBondContact OE1-NH2 3.27Å; E344-R347 IonicContact OE2-CZ 2.7Å; E344-R347 IonicContact OE2-NE 2.63Å; E344-R347 PolarHBondContact OE2-NE 2.92Å; E344-R347 IonicContact OE2-NH2 2.65Å; E344-R347 PolarHBondContact OE2-NH2 3.49Å; E344-L348 HydrophobicContact CG-CD1 4.05Å; E344-L348 HydrophobicContact CG-CG 4.49Å; E344-L348 WeakPolarHBondContact O-CB 3.39Å; E344-L348 VanDerWaalsContact O-CG 3.3Å; E344-L348 WeakPolarHBondContact O-CG 3.5Å; E344-L348 PolarHBondContact O-N 2.78Å |
| 345 | R | 95.9 | Very high | 95.5 | Very high | 131 Ų | 131 | 96.4 Ų | 96.4 | 49% | 0.494 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 172.3 | -172.8 | -133.2 | -57.9 | 99.9 | 13.3 | 111.7 | L341 R342 L348 S349 | L341-R345 VanDerWaalsContact O-CB 3.3Å; L341-R345 WeakPolarHBondContact O-CB 3.47Å; L341-R345 PolarHBondContact O-N 3.29Å; R342-R345 PolarHBondContact O-NH1 2.86Å; R345-L348 PolarHBondContact O-N 3.36Å; R345-S349 WeakPolarHBondContact O-CB 3.48Å; R345-S349 PolarHBondContact O-N 2.91Å |
| 346 | N | 94.8 | Very high | 95.5 | Very high | 93 Ų | 93 | 96.1 Ų | 96.1 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 179 | -67.7 | 9.3 | 0 | 0 | 0 | 111 | R342 Q343 E344 S349 T350 | R342-N346 WeakPolarHBondContact O-CB 3.33Å; R342-N346 PolarHBondContact O-N 2.88Å; R342-N346 PolarHBondContact O-OD1 3.42Å; Q343-N346 PolarHBondContact O-N 3.41Å; E344-N346 VanDerWaalsContact C-N 3.3Å; E344-N346 PolarHBondContact O-N 3.17Å; N346-S349 WeakPolarHBondContact O-CB 3.4Å; N346-S349 PolarHBondContact O-N 3.32Å; N346-T350 PolarHBondContact O-N 3.49Å; N346-T350 PolarHBondContact O-OG1 3.41Å |
| 347 | R | 97.1 | Very high | 95.5 | Very high | 130 Ų | 130 | 96.2 Ų | 96.2 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 174 | -168.9 | -164.5 | 69.6 | 74.6 | -0.1 | 112.2 | Q343 E344 T350 A351 | Q343-R347 WeakPolarHBondContact O-CB 3.44Å; Q343-R347 PolarHBondContact O-N 2.87Å; E344-R347 PolarHBondContact O-N 3.46Å; E344-R347 IonicContact OE1-CZ 3.48Å; E344-R347 IonicContact OE1-NE 3.21Å; E344-R347 IonicContact OE1-NH2 2.6Å; E344-R347 PolarHBondContact OE1-NH2 3.27Å; E344-R347 IonicContact OE2-CZ 2.7Å; E344-R347 IonicContact OE2-NE 2.63Å; E344-R347 PolarHBondContact OE2-NE 2.92Å; E344-R347 IonicContact OE2-NH2 2.65Å; E344-R347 PolarHBondContact OE2-NH2 3.49Å; R347-T350 PolarHBondContact O-OG1 2.89Å; R347-A351 VanDerWaalsContact O-CB 3.29Å; R347-A351 WeakPolarHBondContact O-CB 3.37Å; R347-A351 PolarHBondContact O-N 3.01Å |
| 348 | L | 95.4 | Very high | 95.5 | Very high | 90 Ų | 90 | 96.5 Ų | 96.5 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.6 | -34.4 | 175.4 | -72 | 170.9 | 0 | 0 | 0 | 112 | E344 R345 A352 | E344-L348 HydrophobicContact CG-CD1 4.05Å; E344-L348 HydrophobicContact CG-CG 4.49Å; E344-L348 WeakPolarHBondContact O-CB 3.39Å; E344-L348 VanDerWaalsContact O-CG 3.3Å; E344-L348 WeakPolarHBondContact O-CG 3.5Å; E344-L348 PolarHBondContact O-N 2.78Å; R345-L348 PolarHBondContact O-N 3.36Å; L348-A352 WeakPolarHBondContact O-CB 3.35Å; L348-A352 PolarHBondContact O-N 3.04Å |
| 349 | S | 97 | Very high | 95.6 | Very high | 60 Ų | 60 | 99.1 Ų | 99.1 | 42% | 0.42 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -57 | 170.7 | -164.5 | 0 | 0 | 0 | 0 | 110.1 | R345 N346 A351 A352 D353 | R345-S349 WeakPolarHBondContact O-CB 3.48Å; R345-S349 PolarHBondContact O-N 2.91Å; N346-S349 WeakPolarHBondContact O-CB 3.4Å; N346-S349 PolarHBondContact O-N 3.32Å; S349-A351 PolarHBondContact O-N 2.65Å; S349-A352 CarbonylContact O-C 3.14Å; S349-A352 WeakPolarHBondContact O-CA 3.44Å; S349-A352 WeakPolarHBondContact O-CB 3.46Å; S349-A352 PolarHBondContact O-N 3.32Å; S349-D353 VanDerWaalsContact C-OD2 3.22Å; S349-D353 PolarHBondContact O-N 2.9Å; S349-D353 PolarHBondContact OG-OD2 3.27Å |
| 350 | T | 95.6 | Very high | 95.6 | Very high | 74 Ų | 74 | 98.3 Ų | 98.3 | 45% | 0.454 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -27.9 | -177.8 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | N346 R347 D353 Q354 | N346-T350 PolarHBondContact O-N 3.49Å; N346-T350 PolarHBondContact O-OG1 3.41Å; R347-T350 PolarHBondContact O-OG1 2.89Å; T350-D353 WeakPolarHBondContact CA-OD2 3.42Å; T350-Q354 WeakPolarHBondContact O-CB 3.38Å; T350-Q354 WeakPolarHBondContact O-CG 3.5Å; T350-Q354 PolarHBondContact O-N 2.99Å |
| 351 | A | 96.3 | Very high | 95.5 | Very high | 32 Ų | 32 | 95.6 Ų | 95.6 | 26% | 0.264 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.8 | -36.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R347 S349 L355 | R347-A351 VanDerWaalsContact O-CB 3.29Å; R347-A351 WeakPolarHBondContact O-CB 3.37Å; R347-A351 PolarHBondContact O-N 3.01Å; S349-A351 PolarHBondContact O-N 2.65Å; A351-L355 VanDerWaalsContact O-CG 3.3Å; A351-L355 WeakPolarHBondContact O-CG 3.47Å; A351-L355 PolarHBondContact O-N 3.31Å; A351-L355 VanDerWaalsContact O-N 3.16Å |
| 352 | A | 94.8 | Very high | 95.6 | Very high | 43 Ų | 43 | 95.8 Ų | 95.8 | 36% | 0.355 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.3 | -47.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | L348 S349 Q354 L355 D356 | L348-A352 WeakPolarHBondContact O-CB 3.35Å; L348-A352 PolarHBondContact O-N 3.04Å; S349-A352 CarbonylContact O-C 3.14Å; S349-A352 WeakPolarHBondContact O-CA 3.44Å; S349-A352 WeakPolarHBondContact O-CB 3.46Å; S349-A352 PolarHBondContact O-N 3.32Å; A352-Q354 PolarHBondContact O-N 2.87Å; A352-L355 PolarHBondContact O-N 3.09Å; A352-D356 PolarHBondContact O-N 3.44Å |
| 353 | D | 96 | Very high | 95.6 | Very high | 90 Ų | 90 | 94 Ų | 94 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -54.6 | -39.2 | 177.4 | -57.8 | -44.2 | 0 | 0 | 0 | 111.5 | S349 T350 E357 | S349-D353 VanDerWaalsContact C-OD2 3.22Å; S349-D353 PolarHBondContact O-N 2.9Å; S349-D353 PolarHBondContact OG-OD2 3.27Å; T350-D353 WeakPolarHBondContact CA-OD2 3.42Å; D353-E357 PolarHBondContact O-N 2.91Å |
| 354 | Q | 96.5 | Very high | 95.7 | Very high | 139 Ų | 139 | 94.5 Ų | 94.5 | 65% | 0.65 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -71 | -35.3 | 175.2 | -75.7 | 170.3 | 9.9 | 0 | 0 | 114 | T350 A352 H358 | T350-Q354 WeakPolarHBondContact O-CB 3.38Å; T350-Q354 WeakPolarHBondContact O-CG 3.5Å; T350-Q354 PolarHBondContact O-N 2.99Å; A352-Q354 PolarHBondContact O-N 2.87Å; Q354-H358 WeakPolarHBondContact O-CB 3.48Å; Q354-H358 PolarHBondContact O-N 2.95Å; Q354-H358 VanDerWaalsContact O-N 3.07Å |
| 355 | L | 95 | Very high | 95.7 | Very high | 116 Ų | 116 | 93.1 Ų | 93.1 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -72.6 | -39.9 | 176.3 | -73.6 | 170 | 0 | 0 | 0 | 111.3 | A351 A352 H358 E359 | A351-L355 VanDerWaalsContact O-CG 3.3Å; A351-L355 WeakPolarHBondContact O-CG 3.47Å; A351-L355 PolarHBondContact O-N 3.31Å; A351-L355 VanDerWaalsContact O-N 3.16Å; A352-L355 PolarHBondContact O-N 3.09Å; L355-H358 PolarHBondContact O-N 3.31Å; L355-E359 PolarHBondContact O-N 2.92Å |
| 356 | D | 95.2 | Very high | 95.7 | Very high | 100 Ų | 100 | 90.9 Ų | 90.9 | 54% | 0.535 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 174.5 | -72.4 | 10.6 | 0 | 0 | 0 | 110.9 | A352 E359 T360 | A352-D356 PolarHBondContact O-N 3.44Å; D356-E359 PolarHBondContact O-N 3.46Å; D356-T360 WeakPolarHBondContact O-CG2 3.41Å; D356-T360 PolarHBondContact O-N 2.94Å; D356-T360 PolarHBondContact O-OG1 3.23Å |
| 357 | E | 94.9 | Very high | 95.8 | Very high | 131 Ų | 131 | 88.7 Ų | 88.7 | 61% | 0.612 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.9 | -37.6 | 174.2 | -177.4 | 154.6 | -146.2 | 0 | 0 | 112.3 | D353 T360 A361 | D353-E357 PolarHBondContact O-N 2.91Å; E357-T360 PolarHBondContact O-OG1 3.42Å; E357-A361 WeakPolarHBondContact O-CB 3.39Å; E357-A361 PolarHBondContact O-N 3.48Å |
| 358 | H | 95.9 | Very high | 95.8 | Very high | 112 Ų | 112 | 90.3 Ų | 90.3 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 173.4 | 175.4 | -98.5 | 0 | 0 | 0 | 112.6 | Q354 L355 A361 L362 | Q354-H358 WeakPolarHBondContact O-CB 3.48Å; Q354-H358 PolarHBondContact O-N 2.95Å; Q354-H358 VanDerWaalsContact O-N 3.07Å; L355-H358 PolarHBondContact O-N 3.31Å; H358-A361 WeakPolarHBondContact O-CB 3.42Å; H358-A361 PolarHBondContact O-N 2.99Å; H358-L362 VanDerWaalsContact CE1-CD1 3.46Å; H358-L362 WeakPolarHBondContact CE1-CD1 3.38Å; H358-L362 PolarHBondContact O-N 2.97Å |
| 359 | E | 93.4 | Very high | 95.8 | Very high | 129 Ų | 129 | 91.8 Ų | 91.8 | 60% | 0.603 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62 | -48.4 | 175.9 | -174.2 | 176.6 | 152.3 | 0 | 0 | 110.8 | L355 D356 A361 L362 V363 | L355-E359 PolarHBondContact O-N 2.92Å; D356-E359 PolarHBondContact O-N 3.46Å; E359-A361 PolarHBondContact O-N 3.44Å; E359-L362 PolarHBondContact O-N 3.07Å; E359-L362 VanDerWaalsContact O-N 3.16Å; E359-V363 HydrophobicContact CG-CG2 4.42Å; E359-V363 WeakPolarHBondContact O-CG2 3.33Å; E359-V363 PolarHBondContact O-N 3.33Å |
| 360 | T | 94.9 | Very high | 95.7 | Very high | 72 Ų | 72 | 93.9 Ų | 93.9 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -26.7 | 176.4 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | D356 E357 R364 | D356-T360 WeakPolarHBondContact O-CG2 3.41Å; D356-T360 PolarHBondContact O-N 2.94Å; D356-T360 PolarHBondContact O-OG1 3.23Å; E357-T360 PolarHBondContact O-OG1 3.42Å; T360-R364 VanDerWaalsContact O-CB 3.3Å; T360-R364 WeakPolarHBondContact O-CB 3.37Å; T360-R364 VanDerWaalsContact O-CG 3.22Å; T360-R364 WeakPolarHBondContact O-CG 3.34Å; T360-R364 PolarHBondContact O-N 3.36Å; T360-R364 PolarHBondContact O-NE 3.49Å; T360-R364 PolarHBondContact OG1-NH2 2.94Å; T360-R364 VanDerWaalsContact OG1-NH2 3.07Å |
| 361 | A | 95.8 | Very high | 95.8 | Very high | 39 Ų | 39 | 95.4 Ų | 95.4 | 32% | 0.322 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.4 | -44 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E357 H358 E359 R364 D365 | E357-A361 WeakPolarHBondContact O-CB 3.39Å; E357-A361 PolarHBondContact O-N 3.48Å; H358-A361 WeakPolarHBondContact O-CB 3.42Å; H358-A361 PolarHBondContact O-N 2.99Å; E359-A361 PolarHBondContact O-N 3.44Å; A361-R364 PolarHBondContact O-N 3.39Å; A361-D365 PolarHBondContact O-N 2.87Å |
| 362 | L | 96.2 | Very high | 95.8 | Very high | 102 Ų | 102 | 97.5 Ų | 97.5 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 173.8 | -69.1 | -179.5 | 0 | 0 | 0 | 112.2 | H358 E359 D365 C366 | H358-L362 VanDerWaalsContact CE1-CD1 3.46Å; H358-L362 WeakPolarHBondContact CE1-CD1 3.38Å; H358-L362 PolarHBondContact O-N 2.97Å; E359-L362 PolarHBondContact O-N 3.07Å; E359-L362 VanDerWaalsContact O-N 3.16Å; L362-D365 PolarHBondContact O-N 3.32Å; L362-C366 WeakPolarHBondContact O-CB 3.18Å; L362-C366 PolarHBondContact O-N 3.48Å |
| 363 | V | 97 | Very high | 95.8 | Very high | 88 Ų | 88 | 97.6 Ų | 97.6 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 175.3 | 172.1 | 0 | 0 | 0 | 0 | 111 | E359 D365 A367 | E359-V363 HydrophobicContact CG-CG2 4.42Å; E359-V363 WeakPolarHBondContact O-CG2 3.33Å; E359-V363 PolarHBondContact O-N 3.33Å; V363-D365 VanDerWaalsContact C-N 3.34Å; V363-D365 PolarHBondContact O-N 2.87Å; V363-A367 WeakPolarHBondContact O-CB 3.45Å; V363-A367 PolarHBondContact O-N 3.34Å |
| 364 | R | 95.8 | Very high | 95.9 | Very high | 136 Ų | 136 | 96.9 Ų | 96.9 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.9 | -44.3 | 172.7 | -83.2 | 173.7 | -77.9 | 151.9 | -11.6 | 111.6 | T360 A361 A367 R368 | T360-R364 VanDerWaalsContact O-CB 3.3Å; T360-R364 WeakPolarHBondContact O-CB 3.37Å; T360-R364 VanDerWaalsContact O-CG 3.22Å; T360-R364 WeakPolarHBondContact O-CG 3.34Å; T360-R364 PolarHBondContact O-N 3.36Å; T360-R364 PolarHBondContact O-NE 3.49Å; T360-R364 PolarHBondContact OG1-NH2 2.94Å; T360-R364 VanDerWaalsContact OG1-NH2 3.07Å; A361-R364 PolarHBondContact O-N 3.39Å; R364-A367 PolarHBondContact O-N 3.26Å; R364-R368 WeakPolarHBondContact O-CG 3.17Å; R364-R368 PolarHBondContact O-N 3.41Å |
| 365 | D | 96.3 | Very high | 95.8 | Very high | 49 Ų | 49 | 94.9 Ų | 94.9 | 26% | 0.262 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.3 | -43.7 | -179.2 | -163.2 | 55.5 | 0 | 0 | 0 | 112.8 | A361 L362 V363 A367 R368 Q369 | A361-D365 PolarHBondContact O-N 2.87Å; L362-D365 PolarHBondContact O-N 3.32Å; V363-D365 VanDerWaalsContact C-N 3.34Å; V363-D365 PolarHBondContact O-N 2.87Å; D365-A367 VanDerWaalsContact C-N 3.26Å; D365-A367 PolarHBondContact O-N 3.06Å; D365-R368 WeakPolarHBondContact O-CB 3Å; D365-R368 PolarHBondContact O-N 3.44Å; D365-R368 IonicContact OD1-CZ 2.71Å; D365-R368 VanDerWaalsContact OD1-CZ 3.32Å; D365-R368 IonicContact OD1-NE 2.74Å; D365-R368 PolarHBondContact OD1-NE 2.65Å; D365-R368 VanDerWaalsContact OD1-NE 3.17Å; D365-R368 IonicContact OD1-NH2 3.12Å; D365-R368 PolarHBondContact OD1-NH2 2.63Å; D365-Q369 WeakPolarHBondContact O-CG 3.38Å; D365-Q369 PolarHBondContact O-N 3.39Å; D365-Q369 PolarHBondContact OD2-NE2 3.22Å |
| 366 | C | 95 | Very high | 95.9 | Very high | 83 Ų | 83 | 94.9 Ų | 94.9 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -55.5 | -42.4 | 172.5 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | L362 Q369 L370 | L362-C366 WeakPolarHBondContact O-CB 3.18Å; L362-C366 PolarHBondContact O-N 3.48Å; C366-Q369 PolarHBondContact O-N 3.46Å; C366-L370 VanDerWaalsContact O-CB 3.29Å; C366-L370 WeakPolarHBondContact O-CB 3.32Å; C366-L370 PolarHBondContact O-N 3.39Å |
| 367 | A | 97.2 | Very high | 96 | Very high | 47 Ų | 47 | 95.3 Ų | 95.3 | 39% | 0.388 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V363 R364 D365 L370 I371 | V363-A367 WeakPolarHBondContact O-CB 3.45Å; V363-A367 PolarHBondContact O-N 3.34Å; R364-A367 PolarHBondContact O-N 3.26Å; D365-A367 VanDerWaalsContact C-N 3.26Å; D365-A367 PolarHBondContact O-N 3.06Å; A367-L370 PolarHBondContact O-N 3.27Å; A367-I371 WeakPolarHBondContact O-CD1 3.27Å; A367-I371 VanDerWaalsContact O-CG1 3.25Å; A367-I371 WeakPolarHBondContact O-CG1 3.28Å; A367-I371 PolarHBondContact O-N 2.7Å |
| 368 | R | 97 | Very high | 96 | Very high | 164 Ų | 164 | 96 Ų | 96 | 62% | 0.619 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.6 | -50.7 | 173.4 | -68.4 | -168.7 | -54.3 | 179.4 | 2.8 | 111.5 | R364 D365 L370 I371 T372 | R364-R368 WeakPolarHBondContact O-CG 3.17Å; R364-R368 PolarHBondContact O-N 3.41Å; D365-R368 WeakPolarHBondContact O-CB 3Å; D365-R368 PolarHBondContact O-N 3.44Å; D365-R368 IonicContact OD1-CZ 2.71Å; D365-R368 VanDerWaalsContact OD1-CZ 3.32Å; D365-R368 IonicContact OD1-NE 2.74Å; D365-R368 PolarHBondContact OD1-NE 2.65Å; D365-R368 VanDerWaalsContact OD1-NE 3.17Å; D365-R368 IonicContact OD1-NH2 3.12Å; D365-R368 PolarHBondContact OD1-NH2 2.63Å; R368-L370 VanDerWaalsContact C-N 3.29Å; R368-L370 PolarHBondContact O-N 2.98Å; R368-I371 PolarHBondContact O-N 3.18Å; R368-I371 VanDerWaalsContact O-N 3.13Å; R368-T372 PolarHBondContact O-N 3.37Å; R368-T372 PolarHBondContact O-OG1 3.45Å |
| 369 | Q | 96.9 | Very high | 96 | Very high | 122 Ų | 122 | 94.7 Ų | 94.7 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58 | -42.4 | 179.3 | -68.2 | -173.9 | 35.8 | 0 | 0 | 111.3 | D365 C366 T372 A373 | D365-Q369 WeakPolarHBondContact O-CG 3.38Å; D365-Q369 PolarHBondContact O-N 3.39Å; D365-Q369 PolarHBondContact OD2-NE2 3.22Å; C366-Q369 PolarHBondContact O-N 3.46Å; Q369-T372 PolarHBondContact O-N 2.8Å; Q369-A373 WeakPolarHBondContact O-CB 3.25Å; Q369-A373 PolarHBondContact O-N 2.88Å |
| 370 | L | 94.5 | Very high | 96.2 | Very high | 103 Ų | 103 | 94.3 Ų | 94.3 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 176.1 | -177.5 | 61 | 0 | 0 | 0 | 112.5 | C366 A367 R368 N374 | C366-L370 VanDerWaalsContact O-CB 3.29Å; C366-L370 WeakPolarHBondContact O-CB 3.32Å; C366-L370 PolarHBondContact O-N 3.39Å; A367-L370 PolarHBondContact O-N 3.27Å; R368-L370 VanDerWaalsContact C-N 3.29Å; R368-L370 PolarHBondContact O-N 2.98Å; L370-N374 WeakPolarHBondContact O-CB 3.27Å; L370-N374 PolarHBondContact O-N 3.05Å; L370-N374 PolarHBondContact O-ND2 3.48Å |
| 371 | I | 96.8 | Very high | 96.3 | Very high | 107 Ų | 107 | 94.2 Ų | 94.2 | 55% | 0.549 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 174.5 | -70.3 | 163.6 | 0 | 0 | 0 | 110.5 | A367 R368 N374 M375 | A367-I371 WeakPolarHBondContact O-CD1 3.27Å; A367-I371 VanDerWaalsContact O-CG1 3.25Å; A367-I371 WeakPolarHBondContact O-CG1 3.28Å; A367-I371 PolarHBondContact O-N 2.7Å; R368-I371 PolarHBondContact O-N 3.18Å; R368-I371 VanDerWaalsContact O-N 3.13Å; I371-N374 PolarHBondContact O-N 3.4Å; I371-M375 WeakPolarHBondContact O-CG 3.36Å; I371-M375 PolarHBondContact O-N 3.05Å |
| 372 | T | 96 | Very high | 96.3 | Very high | 76 Ų | 76 | 96 Ų | 96 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 176.5 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | R368 Q369 N374 M375 H376 | R368-T372 PolarHBondContact O-N 3.37Å; R368-T372 PolarHBondContact O-OG1 3.45Å; Q369-T372 PolarHBondContact O-N 2.8Å; T372-N374 PolarHBondContact O-N 2.89Å; T372-M375 WeakPolarHBondContact O-CB 3.47Å; T372-M375 PolarHBondContact O-N 2.92Å; T372-M375 VanDerWaalsContact O-N 3.15Å; T372-H376 PolarHBondContact O-CD2 3.29Å; T372-H376 VanDerWaalsContact O-CD2 3.27Å; T372-H376 PolarHBondContact O-N 3.42Å |
| 373 | A | 95.9 | Very high | 96.3 | Very high | 45 Ų | 45 | 95.1 Ų | 95.1 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q369 M375 H376 I377 | Q369-A373 WeakPolarHBondContact O-CB 3.25Å; Q369-A373 PolarHBondContact O-N 2.88Å; A373-M375 VanDerWaalsContact C-N 3.3Å; A373-M375 PolarHBondContact O-N 3.33Å; A373-H376 PolarHBondContact O-N 3.01Å; A373-H376 VanDerWaalsContact O-N 3.17Å; A373-I377 WeakPolarHBondContact O-CG1 3.28Å; A373-I377 PolarHBondContact O-N 3.5Å |
| 374 | N | 96.9 | Very high | 96.2 | Very high | 75 Ų | 75 | 96.7 Ų | 96.7 | 40% | 0.401 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -30.8 | 175.1 | -77.9 | -51.9 | 0 | 0 | 0 | 113.1 | L370 I371 T372 R378 | L370-N374 WeakPolarHBondContact O-CB 3.27Å; L370-N374 PolarHBondContact O-N 3.05Å; L370-N374 PolarHBondContact O-ND2 3.48Å; I371-N374 PolarHBondContact O-N 3.4Å; T372-N374 PolarHBondContact O-N 2.89Å; N374-R378 WeakPolarHBondContact O-CB 3.28Å; N374-R378 PolarHBondContact O-N 2.9Å |
| 375 | M | 95 | Very high | 96.2 | Very high | 97 Ų | 97 | 92.4 Ų | 92.4 | 48% | 0.478 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69 | -42.3 | 170 | -73.2 | -175.1 | 67.5 | 0 | 0 | 111.9 | I371 T372 A373 I377 R378 N379 | I371-M375 WeakPolarHBondContact O-CG 3.36Å; I371-M375 PolarHBondContact O-N 3.05Å; T372-M375 WeakPolarHBondContact O-CB 3.47Å; T372-M375 PolarHBondContact O-N 2.92Å; T372-M375 VanDerWaalsContact O-N 3.15Å; A373-M375 VanDerWaalsContact C-N 3.3Å; A373-M375 PolarHBondContact O-N 3.33Å; M375-I377 PolarHBondContact O-N 2.87Å; M375-R378 PolarHBondContact O-N 3.44Å; M375-N379 WeakPolarHBondContact O-CB 3.39Å; M375-N379 PolarHBondContact O-N 3.09Å; M375-N379 PolarHBondContact O-OD1 3.44Å |
| 376 | H | 97.3 | Very high | 96.2 | Very high | 116 Ų | 116 | 95.9 Ų | 95.9 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 173.3 | -80.2 | -77.6 | 0 | 0 | 0 | 112.3 | T372 A373 R378 N379 L380 | T372-H376 PolarHBondContact O-CD2 3.29Å; T372-H376 VanDerWaalsContact O-CD2 3.27Å; T372-H376 PolarHBondContact O-N 3.42Å; A373-H376 PolarHBondContact O-N 3.01Å; A373-H376 VanDerWaalsContact O-N 3.17Å; H376-R378 PolarHBondContact O-N 2.93Å; H376-N379 PolarHBondContact O-N 3.3Å; H376-L380 WeakPolarHBondContact O-CB 3.4Å; H376-L380 VanDerWaalsContact O-CG 3.28Å; H376-L380 WeakPolarHBondContact O-CG 3.19Å; H376-L380 PolarHBondContact O-N 3.3Å |
| 377 | I | 96.5 | Very high | 96.2 | Very high | 109 Ų | 109 | 98.8 Ų | 98.8 | 56% | 0.559 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.3 | -43.2 | 175.7 | -68.3 | 164.4 | 0 | 0 | 0 | 110.9 | A373 M375 L380 S381 | A373-I377 WeakPolarHBondContact O-CG1 3.28Å; A373-I377 PolarHBondContact O-N 3.5Å; M375-I377 PolarHBondContact O-N 2.87Å; I377-L380 PolarHBondContact O-N 3.27Å; I377-S381 WeakPolarHBondContact O-CB 3.18Å; I377-S381 PolarHBondContact O-N 3.47Å |
| 378 | R | 96.2 | Very high | 96.1 | Very high | 144 Ų | 144 | 99.6 Ų | 99.6 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -50.3 | 175 | -172.1 | -179.9 | -61.7 | 104.4 | 2.6 | 111.6 | N374 M375 H376 L380 S381 D382 | N374-R378 WeakPolarHBondContact O-CB 3.28Å; N374-R378 PolarHBondContact O-N 2.9Å; M375-R378 PolarHBondContact O-N 3.44Å; H376-R378 PolarHBondContact O-N 2.93Å; R378-L380 VanDerWaalsContact C-N 3.29Å; R378-L380 PolarHBondContact O-N 3.38Å; R378-S381 CarbonylContact O-C 3.03Å; R378-S381 WeakPolarHBondContact O-CA 3.43Å; R378-S381 WeakPolarHBondContact O-CB 3.32Å; R378-S381 PolarHBondContact O-N 2.9Å; R378-D382 PolarHBondContact O-N 3.5Å |
| 379 | N | 96.2 | Very high | 96 | Very high | 85 Ų | 85 | 96.5 Ų | 96.5 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.2 | -40.8 | 179.3 | -65.8 | 1.1 | 0 | 0 | 0 | 111.7 | M375 H376 D382 E383 | M375-N379 WeakPolarHBondContact O-CB 3.39Å; M375-N379 PolarHBondContact O-N 3.09Å; M375-N379 PolarHBondContact O-OD1 3.44Å; H376-N379 PolarHBondContact O-N 3.3Å; N379-D382 PolarHBondContact O-N 3.39Å; N379-E383 WeakPolarHBondContact O-CG 3.46Å; N379-E383 PolarHBondContact O-N 2.93Å |
| 380 | L | 96.7 | Very high | 95.9 | Very high | 122 Ų | 122 | 92.9 Ų | 92.9 | 64% | 0.639 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.2 | -35.7 | 175 | -71.7 | 170.8 | 0 | 0 | 0 | 112.5 | H376 I377 R378 L384 | H376-L380 WeakPolarHBondContact O-CB 3.4Å; H376-L380 VanDerWaalsContact O-CG 3.28Å; H376-L380 WeakPolarHBondContact O-CG 3.19Å; H376-L380 PolarHBondContact O-N 3.3Å; I377-L380 PolarHBondContact O-N 3.27Å; R378-L380 VanDerWaalsContact C-N 3.29Å; R378-L380 PolarHBondContact O-N 3.38Å; L380-L384 VanDerWaalsContact O-CB 3.27Å; L380-L384 WeakPolarHBondContact O-CB 3.35Å; L380-L384 PolarHBondContact O-N 3.27Å |
| 381 | S | 96.4 | Very high | 95.9 | Very high | 70 Ų | 70 | 93 Ų | 93 | 49% | 0.49 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 172.6 | -173 | 0 | 0 | 0 | 0 | 111.9 | I377 R378 L384 A385 | I377-S381 WeakPolarHBondContact O-CB 3.18Å; I377-S381 PolarHBondContact O-N 3.47Å; R378-S381 CarbonylContact O-C 3.03Å; R378-S381 WeakPolarHBondContact O-CA 3.43Å; R378-S381 WeakPolarHBondContact O-CB 3.32Å; R378-S381 PolarHBondContact O-N 2.9Å; S381-L384 PolarHBondContact O-N 3.18Å; S381-A385 WeakPolarHBondContact O-CB 3.21Å; S381-A385 PolarHBondContact O-N 3.31Å |
| 382 | D | 95.6 | Very high | 95.7 | Very high | 75 Ų | 75 | 92.1 Ų | 92.1 | 40% | 0.401 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.8 | -39.4 | 177.9 | -64.2 | -26.1 | 0 | 0 | 0 | 111.3 | R378 N379 A385 K386 | R378-D382 PolarHBondContact O-N 3.5Å; N379-D382 PolarHBondContact O-N 3.39Å; D382-A385 PolarHBondContact O-N 2.95Å; D382-K386 VanDerWaalsContact O-CG 3.26Å; D382-K386 WeakPolarHBondContact O-CG 3.4Å; D382-K386 PolarHBondContact O-N 3.03Å |
| 383 | E | 96.2 | Very high | 95.7 | Very high | 85 Ų | 85 | 93.5 Ų | 93.5 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68 | -34.8 | 172.1 | -71.3 | -53.7 | 127.6 | 0 | 0 | 112.9 | N379 K386 K387 | N379-E383 WeakPolarHBondContact O-CG 3.46Å; N379-E383 PolarHBondContact O-N 2.93Å; E383-K386 WeakPolarHBondContact OE1-CD 3.35Å; E383-K386 IonicContact OE1-NZ 2.7Å; E383-K386 PolarHBondContact OE1-NZ 3.32Å; E383-K387 WeakPolarHBondContact O-CB 3.48Å; E383-K387 VanDerWaalsContact O-CG 3.29Å; E383-K387 WeakPolarHBondContact O-CG 3.34Å; E383-K387 PolarHBondContact O-N 2.88Å |
| 384 | L | 95.6 | Very high | 95.7 | Very high | 120 Ų | 120 | 97.3 Ų | 97.3 | 63% | 0.628 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.6 | -41.3 | 172.9 | -177.3 | 63.3 | 0 | 0 | 0 | 111.3 | L380 S381 K387 S388 | L380-L384 VanDerWaalsContact O-CB 3.27Å; L380-L384 WeakPolarHBondContact O-CB 3.35Å; L380-L384 PolarHBondContact O-N 3.27Å; S381-L384 PolarHBondContact O-N 3.18Å; L384-K387 PolarHBondContact O-N 3.34Å; L384-S388 WeakPolarHBondContact O-CB 3.43Å; L384-S388 PolarHBondContact O-N 2.9Å |
| 385 | A | 95.1 | Very high | 95.6 | Very high | 47 Ų | 47 | 96.8 Ų | 96.8 | 39% | 0.388 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -50.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S381 D382 K387 S388 D389 | S381-A385 WeakPolarHBondContact O-CB 3.21Å; S381-A385 PolarHBondContact O-N 3.31Å; D382-A385 PolarHBondContact O-N 2.95Å; A385-K387 VanDerWaalsContact C-N 3.31Å; A385-K387 PolarHBondContact O-N 3.33Å; A385-S388 WeakPolarHBondContact O-CB 3.47Å; A385-S388 PolarHBondContact O-N 3.01Å; A385-S388 VanDerWaalsContact O-N 3.09Å; A385-D389 PolarHBondContact O-N 3.28Å |
| 386 | K | 96.2 | Very high | 95.6 | Very high | 121 Ų | 121 | 95.6 Ų | 95.6 | 53% | 0.526 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.2 | -42.4 | 175.8 | -68.7 | 167 | -160.6 | 173.2 | 0 | 112.4 | D382 E383 A390 | D382-K386 VanDerWaalsContact O-CG 3.26Å; D382-K386 WeakPolarHBondContact O-CG 3.4Å; D382-K386 PolarHBondContact O-N 3.03Å; E383-K386 WeakPolarHBondContact OE1-CD 3.35Å; E383-K386 IonicContact OE1-NZ 2.7Å; E383-K386 PolarHBondContact OE1-NZ 3.32Å; K386-A390 WeakPolarHBondContact O-CB 3.25Å; K386-A390 PolarHBondContact O-N 3.4Å |
| 387 | K | 96 | Very high | 95.5 | Very high | 145 Ų | 145 | 93.5 Ų | 93.5 | 63% | 0.63 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.3 | -39.6 | 176.1 | -75 | 173.4 | -178.3 | 176.1 | 0 | 112.4 | E383 L384 A385 A390 F391 | E383-K387 WeakPolarHBondContact O-CB 3.48Å; E383-K387 VanDerWaalsContact O-CG 3.29Å; E383-K387 WeakPolarHBondContact O-CG 3.34Å; E383-K387 PolarHBondContact O-N 2.88Å; L384-K387 PolarHBondContact O-N 3.34Å; A385-K387 VanDerWaalsContact C-N 3.31Å; A385-K387 PolarHBondContact O-N 3.33Å; K387-A390 PolarHBondContact O-N 3.16Å; K387-F391 WeakPolarHBondContact O-CB 3.31Å; K387-F391 PolarHBondContact O-N 3.29Å |
| 388 | S | 95.3 | Very high | 95.4 | Very high | 63 Ų | 63 | 92.5 Ų | 92.5 | 44% | 0.441 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 174.2 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | L384 A385 F391 M392 | L384-S388 WeakPolarHBondContact O-CB 3.43Å; L384-S388 PolarHBondContact O-N 2.9Å; A385-S388 WeakPolarHBondContact O-CB 3.47Å; A385-S388 PolarHBondContact O-N 3.01Å; A385-S388 VanDerWaalsContact O-N 3.09Å; S388-F391 PolarHBondContact O-N 3.37Å; S388-M392 WeakPolarHBondContact O-CB 3.43Å; S388-M392 WeakPolarHBondContact O-CG 3.49Å; S388-M392 PolarHBondContact O-N 2.86Å |
| 389 | D | 94.4 | Very high | 95.4 | Very high | 99 Ų | 99 | 89 Ų | 89 | 53% | 0.529 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 177.9 | -70.4 | -21.7 | 0 | 0 | 0 | 111.9 | A385 F391 M392 N393 | A385-D389 PolarHBondContact O-N 3.28Å; D389-F391 PolarHBondContact O-N 3.31Å; D389-M392 PolarHBondContact O-N 3.1Å; D389-N393 WeakPolarHBondContact O-CB 3.49Å; D389-N393 VanDerWaalsContact O-CG 3.28Å; D389-N393 PolarHBondContact O-N 2.85Å; D389-N393 PolarHBondContact O-ND2 2.85Å |
| 390 | A | 94.4 | Very high | 95.5 | Very high | 47 Ų | 47 | 91.2 Ų | 91.2 | 39% | 0.388 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K386 K387 N393 Q394 | K386-A390 WeakPolarHBondContact O-CB 3.25Å; K386-A390 PolarHBondContact O-N 3.4Å; K387-A390 PolarHBondContact O-N 3.16Å; A390-N393 PolarHBondContact O-N 3.3Å; A390-Q394 WeakPolarHBondContact O-CG 3.34Å; A390-Q394 PolarHBondContact O-N 3.37Å |
| 391 | F | 94.6 | Very high | 95.5 | Very high | 104 Ų | 104 | 89.5 Ų | 89.5 | 46% | 0.456 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 174.6 | 178.2 | -96.6 | 0 | 0 | 0 | 112.1 | K387 S388 D389 N393 Q394 Q395 | K387-F391 WeakPolarHBondContact O-CB 3.31Å; K387-F391 PolarHBondContact O-N 3.29Å; S388-F391 PolarHBondContact O-N 3.37Å; D389-F391 PolarHBondContact O-N 3.31Å; F391-N393 VanDerWaalsContact C-N 3.33Å; F391-N393 PolarHBondContact O-N 3.32Å; F391-Q394 PolarHBondContact O-N 2.77Å; F391-Q395 WeakPolarHBondContact O-CB 3.48Å; F391-Q395 PolarHBondContact O-N 3.38Å |
| 392 | M | 92.7 | Very high | 95.5 | Very high | 89 Ų | 89 | 89.9 Ų | 89.9 | 44% | 0.438 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 175.3 | -78.1 | -64.5 | -63.7 | 0 | 0 | 112.1 | S388 D389 Q395 S396 | S388-M392 WeakPolarHBondContact O-CB 3.43Å; S388-M392 WeakPolarHBondContact O-CG 3.49Å; S388-M392 PolarHBondContact O-N 2.86Å; D389-M392 PolarHBondContact O-N 3.1Å; M392-Q395 PolarHBondContact O-N 3.46Å; M392-S396 PolarHBondContact O-N 3.06Å |
| 393 | N | 95.3 | Very high | 95.6 | Very high | 106 Ų | 106 | 89.9 Ų | 89.9 | 57% | 0.567 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.2 | -46.8 | 173.9 | -73.8 | -39.1 | 0 | 0 | 0 | 111.5 | D389 A390 F391 Q395 S396 E397 | D389-N393 WeakPolarHBondContact O-CB 3.49Å; D389-N393 VanDerWaalsContact O-CG 3.28Å; D389-N393 PolarHBondContact O-N 2.85Å; D389-N393 PolarHBondContact O-ND2 2.85Å; A390-N393 PolarHBondContact O-N 3.3Å; F391-N393 VanDerWaalsContact C-N 3.33Å; F391-N393 PolarHBondContact O-N 3.32Å; N393-Q395 PolarHBondContact O-N 2.82Å; N393-S396 WeakPolarHBondContact O-CB 3.34Å; N393-S396 PolarHBondContact O-N 3.15Å; N393-S396 PolarHBondContact O-OG 2.64Å; N393-E397 PolarHBondContact O-N 3.45Å |
| 394 | Q | 96.2 | Very high | 95.6 | Very high | 124 Ų | 124 | 93 Ų | 93 | 58% | 0.579 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.7 | -42.6 | 174.2 | -71.9 | 177.6 | 5.1 | 0 | 0 | 112.2 | A390 F391 S396 E397 I398 | A390-Q394 WeakPolarHBondContact O-CG 3.34Å; A390-Q394 PolarHBondContact O-N 3.37Å; F391-Q394 PolarHBondContact O-N 2.77Å; Q394-S396 VanDerWaalsContact C-N 3.28Å; Q394-S396 PolarHBondContact O-N 3.47Å; Q394-E397 PolarHBondContact O-N 2.73Å; Q394-I398 WeakPolarHBondContact O-CB 3.46Å; Q394-I398 VanDerWaalsContact O-CG1 3.29Å; Q394-I398 WeakPolarHBondContact O-CG1 3.46Å; Q394-I398 PolarHBondContact O-N 3.41Å |
| 395 | Q | 95.8 | Very high | 95.7 | Very high | 64 Ų | 64 | 89 Ų | 89 | 30% | 0.299 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.4 | -33.9 | 176.4 | -177.9 | 58.4 | 87 | 0 | 0 | 111.7 | F391 M392 N393 T399 | F391-Q395 WeakPolarHBondContact O-CB 3.48Å; F391-Q395 PolarHBondContact O-N 3.38Å; M392-Q395 PolarHBondContact O-N 3.46Å; N393-Q395 PolarHBondContact O-N 2.82Å; Q395-T399 PolarHBondContact NE2-OG1 3.35Å; Q395-T399 WeakPolarHBondContact O-CB 3.4Å; Q395-T399 PolarHBondContact O-N 2.94Å; Q395-T399 PolarHBondContact O-OG1 3.35Å |
| 396 | S | 93.9 | Very high | 95.8 | Very high | 72 Ų | 72 | 91.4 Ų | 91.4 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.2 | -43.4 | 173.4 | 84.7 | 0 | 0 | 0 | 0 | 112.1 | M392 N393 Q394 T399 R400 | M392-S396 PolarHBondContact O-N 3.06Å; N393-S396 WeakPolarHBondContact O-CB 3.34Å; N393-S396 PolarHBondContact O-N 3.15Å; N393-S396 PolarHBondContact O-OG 2.64Å; Q394-S396 VanDerWaalsContact C-N 3.28Å; Q394-S396 PolarHBondContact O-N 3.47Å; S396-T399 PolarHBondContact O-N 2.66Å; S396-R400 WeakPolarHBondContact O-CB 3.42Å; S396-R400 PolarHBondContact O-N 2.89Å |
| 397 | E | 95.4 | Very high | 95.8 | Very high | 72 Ų | 72 | 90.3 Ų | 90.3 | 34% | 0.336 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.7 | -44.5 | 178.7 | 176.7 | 57.7 | -161.8 | 0 | 0 | 111.7 | N393 Q394 T399 R400 L401 | N393-E397 PolarHBondContact O-N 3.45Å; Q394-E397 PolarHBondContact O-N 2.73Å; E397-T399 VanDerWaalsContact C-N 3.26Å; E397-T399 PolarHBondContact O-N 3.13Å; E397-R400 WeakPolarHBondContact O-CB 3.44Å; E397-R400 PolarHBondContact O-N 3.33Å; E397-R400 VanDerWaalsContact O-N 3.14Å; E397-R400 IonicContact OE1-CZ 2.62Å; E397-R400 IonicContact OE1-NE 3.8Å; E397-R400 IonicContact OE1-NH2 2.75Å; E397-R400 PolarHBondContact OE1-NH2 3.16Å; E397-R400 IonicContact OE2-CZ 3.49Å; E397-R400 IonicContact OE2-NE 3.71Å; E397-R400 PolarHBondContact OE2-NE 2.76Å; E397-R400 IonicContact OE2-NH2 2.63Å; E397-R400 PolarHBondContact OE2-NH2 3.43Å; E397-L401 HydrophobicContact CG-CD1 4.1Å; E397-L401 HydrophobicContact CG-CG 4.47Å; E397-L401 WeakPolarHBondContact O-CB 3.42Å; E397-L401 WeakPolarHBondContact O-CG 3.29Å; E397-L401 PolarHBondContact O-N 2.89Å; E397-L401 WeakPolarHBondContact OE1-CD1 3.48Å; E397-L401 WeakPolarHBondContact OE1-CG 3.29Å |
| 398 | I | 95.4 | Very high | 95.8 | Very high | 88 Ų | 88 | 88.1 Ų | 88.1 | 45% | 0.451 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57 | -42.4 | 172.5 | -68.8 | 164.8 | 0 | 0 | 0 | 110.4 | Q394 L401 L402 | Q394-I398 WeakPolarHBondContact O-CB 3.46Å; Q394-I398 VanDerWaalsContact O-CG1 3.29Å; Q394-I398 WeakPolarHBondContact O-CG1 3.46Å; Q394-I398 PolarHBondContact O-N 3.41Å; I398-L401 PolarHBondContact O-N 2.86Å; I398-L402 HydrophobicContact CG2-CD1 3.96Å; I398-L402 HydrophobicContact CG2-CG 4.45Å; I398-L402 WeakPolarHBondContact O-CB 3.47Å; I398-L402 VanDerWaalsContact O-CG 3.25Å; I398-L402 WeakPolarHBondContact O-CG 3.3Å; I398-L402 PolarHBondContact O-N 2.84Å |
| 399 | T | 96.3 | Very high | 95.9 | Very high | 71 Ų | 71 | 89.5 Ų | 89.5 | 44% | 0.436 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 177.5 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | Q395 S396 E397 L402 T403 | Q395-T399 PolarHBondContact NE2-OG1 3.35Å; Q395-T399 WeakPolarHBondContact O-CB 3.4Å; Q395-T399 PolarHBondContact O-N 2.94Å; Q395-T399 PolarHBondContact O-OG1 3.35Å; S396-T399 PolarHBondContact O-N 2.66Å; E397-T399 VanDerWaalsContact C-N 3.26Å; E397-T399 PolarHBondContact O-N 3.13Å; T399-L402 PolarHBondContact O-N 3.28Å; T399-T403 PolarHBondContact O-N 2.89Å; T399-T403 PolarHBondContact O-OG1 3.27Å; T399-T403 VanDerWaalsContact O-OG1 3.12Å |
| 400 | R | 97.7 | Very high | 96.1 | Very high | 132 Ų | 132 | 89 Ų | 89 | 50% | 0.498 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 176.4 | -170.5 | -174.1 | 69.7 | 88.2 | -2.7 | 112.1 | S396 E397 R404 | S396-R400 WeakPolarHBondContact O-CB 3.42Å; S396-R400 PolarHBondContact O-N 2.89Å; E397-R400 WeakPolarHBondContact O-CB 3.44Å; E397-R400 PolarHBondContact O-N 3.33Å; E397-R400 VanDerWaalsContact O-N 3.14Å; E397-R400 IonicContact OE1-CZ 2.62Å; E397-R400 IonicContact OE1-NE 3.8Å; E397-R400 IonicContact OE1-NH2 2.75Å; E397-R400 PolarHBondContact OE1-NH2 3.16Å; E397-R400 IonicContact OE2-CZ 3.49Å; E397-R400 IonicContact OE2-NE 3.71Å; E397-R400 PolarHBondContact OE2-NE 2.76Å; E397-R400 IonicContact OE2-NH2 2.63Å; E397-R400 PolarHBondContact OE2-NH2 3.43Å; R400-R404 WeakPolarHBondContact O-CB 3.47Å; R400-R404 PolarHBondContact O-N 3.36Å |
| 401 | L | 97.9 | Very high | 96.2 | Very high | 85 Ų | 85 | 94 Ų | 94 | 45% | 0.445 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.8 | -39.8 | 176.8 | -68.9 | 173.9 | 0 | 0 | 0 | 111.9 | E397 I398 R404 G405 | E397-L401 HydrophobicContact CG-CD1 4.1Å; E397-L401 HydrophobicContact CG-CG 4.47Å; E397-L401 WeakPolarHBondContact O-CB 3.42Å; E397-L401 WeakPolarHBondContact O-CG 3.29Å; E397-L401 PolarHBondContact O-N 2.89Å; E397-L401 WeakPolarHBondContact OE1-CD1 3.48Å; E397-L401 WeakPolarHBondContact OE1-CG 3.29Å; I398-L401 PolarHBondContact O-N 2.86Å; L401-R404 PolarHBondContact O-N 3.46Å; L401-G405 PolarHBondContact O-N 2.85Å |
| 402 | L | 96.4 | Very high | 96.3 | Very high | 79 Ų | 79 | 93.3 Ų | 93.3 | 41% | 0.414 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 174 | -75.6 | 170.2 | 0 | 0 | 0 | 112.1 | I398 T399 G405 L406 | I398-L402 HydrophobicContact CG2-CD1 3.96Å; I398-L402 HydrophobicContact CG2-CG 4.45Å; I398-L402 WeakPolarHBondContact O-CB 3.47Å; I398-L402 VanDerWaalsContact O-CG 3.25Å; I398-L402 WeakPolarHBondContact O-CG 3.3Å; I398-L402 PolarHBondContact O-N 2.84Å; T399-L402 PolarHBondContact O-N 3.28Å; L402-G405 PolarHBondContact O-N 3.42Å; L402-L406 WeakPolarHBondContact O-CG 3.46Å; L402-L406 PolarHBondContact O-N 2.92Å |
| 403 | T | 96 | Very high | 96.6 | Very high | 75 Ų | 75 | 94.3 Ų | 94.3 | 46% | 0.46 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.4 | -47.8 | 174.5 | -58 | 0 | 0 | 0 | 0 | 111.1 | T399 G405 L406 D407 | T399-T403 PolarHBondContact O-N 2.89Å; T399-T403 PolarHBondContact O-OG1 3.27Å; T399-T403 VanDerWaalsContact O-OG1 3.12Å; T403-G405 VanDerWaalsContact C-N 3.28Å; T403-G405 PolarHBondContact O-N 3.43Å; T403-L406 PolarHBondContact O-N 2.6Å; T403-D407 PolarHBondContact O-N 3.42Å |
| 404 | R | 97.3 | Very high | 96.6 | Very high | 151 Ų | 151 | 94.1 Ų | 94.1 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60 | -36.7 | 176 | -175.9 | 179.9 | 179.9 | -175.8 | 1 | 112.6 | R400 L401 L408 | R400-R404 WeakPolarHBondContact O-CB 3.47Å; R400-R404 PolarHBondContact O-N 3.36Å; L401-R404 PolarHBondContact O-N 3.46Å; R404-L408 HydrophobicContact CG-CD1 4.19Å; R404-L408 WeakPolarHBondContact O-CB 3.14Å; R404-L408 VanDerWaalsContact O-CG 3.27Å; R404-L408 WeakPolarHBondContact O-CG 3.38Å; R404-L408 PolarHBondContact O-N 2.85Å |
| 405 | G | 96.6 | Very high | 96.6 | Very high | 36 Ų | 36 | 92 Ų | 92 | 37% | 0.371 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L401 L402 T403 L408 E409 | L401-G405 PolarHBondContact O-N 2.85Å; L402-G405 PolarHBondContact O-N 3.42Å; T403-G405 VanDerWaalsContact C-N 3.28Å; T403-G405 PolarHBondContact O-N 3.43Å; G405-L408 PolarHBondContact O-N 2.94Å; G405-E409 WeakPolarHBondContact O-CB 3.3Å; G405-E409 PolarHBondContact O-N 3.45Å |
| 406 | L | 97 | Very high | 96.7 | Very high | 96 Ų | 96 | 92.7 Ų | 92.7 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 176.7 | -67.1 | 169.4 | 0 | 0 | 0 | 112.4 | L402 T403 L408 E409 N410 | L402-L406 WeakPolarHBondContact O-CG 3.46Å; L402-L406 PolarHBondContact O-N 2.92Å; T403-L406 PolarHBondContact O-N 2.6Å; L406-L408 VanDerWaalsContact C-N 3.34Å; L406-L408 PolarHBondContact O-N 3.37Å; L406-E409 PolarHBondContact O-N 3.39Å; L406-N410 WeakPolarHBondContact O-CB 3.46Å; L406-N410 VanDerWaalsContact O-CG 3.22Å; L406-N410 PolarHBondContact O-N 2.86Å; L406-N410 PolarHBondContact O-ND2 3.02Å |
| 407 | D | 97 | Very high | 96.8 | Very high | 98 Ų | 98 | 92.1 Ų | 92.1 | 52% | 0.524 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 174.9 | -71.1 | -30.7 | 0 | 0 | 0 | 111.8 | T403 R411 | T403-D407 PolarHBondContact O-N 3.42Å; D407-R411 WeakPolarHBondContact O-CB 3.13Å; D407-R411 PolarHBondContact O-N 3.19Å |
| 408 | L | 97.1 | Very high | 96.9 | Very high | 100 Ų | 100 | 92.7 Ų | 92.7 | 52% | 0.524 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.6 | -42.3 | 175.2 | -71.9 | 170.2 | 0 | 0 | 0 | 112 | R404 G405 L406 N410 R411 V412 | R404-L408 HydrophobicContact CG-CD1 4.19Å; R404-L408 WeakPolarHBondContact O-CB 3.14Å; R404-L408 VanDerWaalsContact O-CG 3.27Å; R404-L408 WeakPolarHBondContact O-CG 3.38Å; R404-L408 PolarHBondContact O-N 2.85Å; G405-L408 PolarHBondContact O-N 2.94Å; L406-L408 VanDerWaalsContact C-N 3.34Å; L406-L408 PolarHBondContact O-N 3.37Å; L408-N410 VanDerWaalsContact C-N 3.34Å; L408-N410 PolarHBondContact O-N 3.14Å; L408-R411 PolarHBondContact O-N 3Å; L408-V412 WeakPolarHBondContact O-CG2 3.4Å; L408-V412 PolarHBondContact O-N 2.92Å |
| 409 | E | 97.3 | Very high | 96.9 | Very high | 91 Ų | 91 | 92.9 Ų | 92.9 | 43% | 0.425 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 175.4 | -167 | -164.7 | 152.4 | 0 | 0 | 111.3 | G405 L406 V412 K413 | G405-E409 WeakPolarHBondContact O-CB 3.3Å; G405-E409 PolarHBondContact O-N 3.45Å; L406-E409 PolarHBondContact O-N 3.39Å; E409-V412 PolarHBondContact O-N 3.45Å; E409-K413 WeakPolarHBondContact O-CG 3.31Å; E409-K413 PolarHBondContact O-N 3.04Å; E409-K413 WeakPolarHBondContact OE1-CE 3.41Å; E409-K413 IonicContact OE1-NZ 3.61Å; E409-K413 PolarHBondContact OE1-NZ 3Å |
| 410 | N | 97 | Very high | 96.9 | Very high | 90 Ų | 90 | 95 Ų | 95 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 174.7 | -72.7 | -36.4 | 0 | 0 | 0 | 112.1 | L406 L408 K413 Q414 | L406-N410 WeakPolarHBondContact O-CB 3.46Å; L406-N410 VanDerWaalsContact O-CG 3.22Å; L406-N410 PolarHBondContact O-N 2.86Å; L406-N410 PolarHBondContact O-ND2 3.02Å; L408-N410 VanDerWaalsContact C-N 3.34Å; L408-N410 PolarHBondContact O-N 3.14Å; N410-K413 PolarHBondContact O-N 3.12Å; N410-Q414 PolarHBondContact O-N 3.21Å |
| 411 | R | 97.6 | Very high | 96.8 | Very high | 150 Ų | 150 | 93.9 Ų | 93.9 | 57% | 0.566 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.1 | -40.5 | 173.4 | 175.9 | 62.4 | 78.7 | 97 | 7.6 | 112.1 | D407 L408 Q414 L415 | D407-R411 WeakPolarHBondContact O-CB 3.13Å; D407-R411 PolarHBondContact O-N 3.19Å; L408-R411 PolarHBondContact O-N 3Å; R411-Q414 PolarHBondContact O-N 2.89Å; R411-L415 HydrophobicContact CG-CD1 4.02Å; R411-L415 HydrophobicContact CG-CG 4.48Å; R411-L415 WeakPolarHBondContact O-CG 3.14Å; R411-L415 PolarHBondContact O-N 2.71Å |
| 412 | V | 97.3 | Very high | 96.8 | Very high | 90 Ų | 90 | 94.8 Ų | 94.8 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.1 | -49.4 | 175.5 | 169.9 | 0 | 0 | 0 | 0 | 110 | L408 E409 Q414 L415 T416 | L408-V412 WeakPolarHBondContact O-CG2 3.4Å; L408-V412 PolarHBondContact O-N 2.92Å; E409-V412 PolarHBondContact O-N 3.45Å; V412-Q414 VanDerWaalsContact C-N 3.3Å; V412-Q414 PolarHBondContact O-N 2.91Å; V412-L415 PolarHBondContact O-N 3.49Å; V412-L415 VanDerWaalsContact O-N 3.13Å; V412-T416 PolarHBondContact O-N 3.21Å; V412-T416 PolarHBondContact O-OG1 3.32Å; V412-T416 VanDerWaalsContact O-OG1 3.13Å |
| 413 | K | 97.2 | Very high | 96.8 | Very high | 111 Ų | 111 | 94.2 Ų | 94.2 | 48% | 0.483 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.7 | -41.7 | 176 | -70.6 | 169.4 | -174.7 | 168.7 | 0 | 112.8 | E409 N410 T416 A417 | E409-K413 WeakPolarHBondContact O-CG 3.31Å; E409-K413 PolarHBondContact O-N 3.04Å; E409-K413 WeakPolarHBondContact OE1-CE 3.41Å; E409-K413 IonicContact OE1-NZ 3.61Å; E409-K413 PolarHBondContact OE1-NZ 3Å; N410-K413 PolarHBondContact O-N 3.12Å; K413-T416 PolarHBondContact O-N 3.32Å; K413-A417 PolarHBondContact O-N 2.9Å |
| 414 | Q | 97.2 | Very high | 96.8 | Very high | 102 Ų | 102 | 92.3 Ų | 92.3 | 48% | 0.477 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 174.8 | -179.3 | 179.7 | -9.7 | 0 | 0 | 111.5 | N410 R411 V412 T416 A417 E418 | N410-Q414 PolarHBondContact O-N 3.21Å; R411-Q414 PolarHBondContact O-N 2.89Å; V412-Q414 VanDerWaalsContact C-N 3.3Å; V412-Q414 PolarHBondContact O-N 2.91Å; Q414-T416 VanDerWaalsContact C-N 3.31Å; Q414-T416 PolarHBondContact O-N 3.29Å; Q414-A417 PolarHBondContact O-N 3.04Å; Q414-A417 VanDerWaalsContact O-N 3.17Å; Q414-E418 HydrophobicContact CG-CG 4.46Å; Q414-E418 VanDerWaalsContact CG-OE1 3.32Å; Q414-E418 WeakPolarHBondContact CG-OE1 3.4Å; Q414-E418 PolarHBondContact NE2-OE1 2.95Å; Q414-E418 WeakPolarHBondContact O-CG 3.5Å; Q414-E418 PolarHBondContact O-N 3.46Å |
| 415 | L | 96 | Very high | 96.8 | Very high | 79 Ų | 79 | 92 Ų | 92 | 41% | 0.414 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.8 | -33.2 | 179.3 | -70.6 | 171.2 | 0 | 0 | 0 | 112.5 | R411 V412 N419 | R411-L415 HydrophobicContact CG-CD1 4.02Å; R411-L415 HydrophobicContact CG-CG 4.48Å; R411-L415 WeakPolarHBondContact O-CG 3.14Å; R411-L415 PolarHBondContact O-N 2.71Å; V412-L415 PolarHBondContact O-N 3.49Å; V412-L415 VanDerWaalsContact O-N 3.13Å; L415-N419 WeakPolarHBondContact O-CB 3.42Å; L415-N419 VanDerWaalsContact O-CG 3.31Å; L415-N419 PolarHBondContact O-N 3.47Å; L415-N419 PolarHBondContact O-ND2 3.33Å |
| 416 | T | 97.3 | Very high | 96.8 | Very high | 79 Ų | 79 | 96 Ų | 96 | 49% | 0.485 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 171 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | V412 K413 Q414 N419 E420 | V412-T416 PolarHBondContact O-N 3.21Å; V412-T416 PolarHBondContact O-OG1 3.32Å; V412-T416 VanDerWaalsContact O-OG1 3.13Å; K413-T416 PolarHBondContact O-N 3.32Å; Q414-T416 VanDerWaalsContact C-N 3.31Å; Q414-T416 PolarHBondContact O-N 3.29Å; T416-N419 PolarHBondContact O-N 3.39Å; T416-E420 PolarHBondContact O-N 3.47Å |
| 417 | A | 96.6 | Very high | 96.8 | Very high | 60 Ų | 60 | 97.1 Ų | 97.1 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66 | -37 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | K413 Q414 M421 | K413-A417 PolarHBondContact O-N 2.9Å; Q414-A417 PolarHBondContact O-N 3.04Å; Q414-A417 VanDerWaalsContact O-N 3.17Å; A417-M421 PolarHBondContact O-N 2.83Å |
| 418 | E | 97 | Very high | 96.8 | Very high | 83 Ų | 83 | 98.5 Ų | 98.5 | 39% | 0.388 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 173.4 | -73.1 | 172.2 | -172.5 | 0 | 0 | 111.5 | Q414 M421 L422 | Q414-E418 HydrophobicContact CG-CG 4.46Å; Q414-E418 VanDerWaalsContact CG-OE1 3.32Å; Q414-E418 WeakPolarHBondContact CG-OE1 3.4Å; Q414-E418 PolarHBondContact NE2-OE1 2.95Å; Q414-E418 WeakPolarHBondContact O-CG 3.5Å; Q414-E418 PolarHBondContact O-N 3.46Å; E418-M421 PolarHBondContact O-N 3.08Å; E418-L422 WeakPolarHBondContact O-CG 3.38Å; E418-L422 PolarHBondContact O-N 3.06Å |
| 419 | N | 95.3 | Very high | 96.6 | Very high | 92 Ų | 92 | 97.9 Ų | 97.9 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 173.9 | -80.4 | -45 | 0 | 0 | 0 | 112.5 | L415 T416 M421 L422 I423 | L415-N419 WeakPolarHBondContact O-CB 3.42Å; L415-N419 VanDerWaalsContact O-CG 3.31Å; L415-N419 PolarHBondContact O-N 3.47Å; L415-N419 PolarHBondContact O-ND2 3.33Å; T416-N419 PolarHBondContact O-N 3.39Å; N419-M421 VanDerWaalsContact C-N 3.3Å; N419-M421 PolarHBondContact O-N 3.42Å; N419-L422 PolarHBondContact O-N 2.84Å; N419-L422 VanDerWaalsContact O-N 3.15Å; N419-I423 WeakPolarHBondContact O-CB 3.4Å; N419-I423 VanDerWaalsContact O-CG1 3.28Å; N419-I423 WeakPolarHBondContact O-CG1 3.15Å; N419-I423 PolarHBondContact O-N 3.44Å |
| 420 | E | 96 | Very high | 96.7 | Very high | 117 Ų | 117 | 99.4 Ų | 99.4 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 175.9 | -74.3 | -57.9 | 141.8 | 0 | 0 | 111.9 | T416 L422 I423 G424 | T416-E420 PolarHBondContact O-N 3.47Å; E420-L422 PolarHBondContact O-N 3.04Å; E420-I423 PolarHBondContact O-N 2.98Å; E420-G424 PolarHBondContact O-N 2.99Å |
| 421 | M | 95.9 | Very high | 96.6 | Very high | 107 Ų | 107 | 100.5 Ų | 100.5 | 53% | 0.527 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 173.7 | -170.5 | -170.2 | -58.7 | 0 | 0 | 112.2 | A417 E418 N419 G424 R425 | A417-M421 PolarHBondContact O-N 2.83Å; E418-M421 PolarHBondContact O-N 3.08Å; N419-M421 VanDerWaalsContact C-N 3.3Å; N419-M421 PolarHBondContact O-N 3.42Å; M421-G424 PolarHBondContact O-N 3.01Å; M421-R425 WeakPolarHBondContact O-CG 3.45Å; M421-R425 PolarHBondContact O-N 3.06Å; M421-R425 PolarHBondContact SD-NH2 3.07Å |
| 422 | L | 97.3 | Very high | 96.4 | Very high | 105 Ų | 105 | 96.1 Ų | 96.1 | 55% | 0.55 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.3 | -38.3 | 176.9 | -70.7 | 171.8 | 0 | 0 | 0 | 112 | E418 N419 E420 G424 R425 L426 | E418-L422 WeakPolarHBondContact O-CG 3.38Å; E418-L422 PolarHBondContact O-N 3.06Å; N419-L422 PolarHBondContact O-N 2.84Å; N419-L422 VanDerWaalsContact O-N 3.15Å; E420-L422 PolarHBondContact O-N 3.04Å; L422-G424 VanDerWaalsContact C-N 3.34Å; L422-R425 PolarHBondContact O-N 2.95Å; L422-L426 VanDerWaalsContact O-CB 3.31Å; L422-L426 WeakPolarHBondContact O-CB 3.42Å; L422-L426 PolarHBondContact O-N 3.45Å |
| 423 | I | 97.4 | Very high | 96.4 | Very high | 67 Ų | 67 | 97.9 Ų | 97.9 | 34% | 0.344 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 172.9 | -69.6 | 165 | 0 | 0 | 0 | 110.6 | N419 E420 L426 K427 | N419-I423 WeakPolarHBondContact O-CB 3.4Å; N419-I423 VanDerWaalsContact O-CG1 3.28Å; N419-I423 WeakPolarHBondContact O-CG1 3.15Å; N419-I423 PolarHBondContact O-N 3.44Å; E420-I423 PolarHBondContact O-N 2.98Å; I423-L426 PolarHBondContact O-N 3.22Å; I423-K427 HydrophobicContact CG2-CD 4.21Å; I423-K427 VanDerWaalsContact O-CG 3.32Å; I423-K427 WeakPolarHBondContact O-CG 3.36Å; I423-K427 PolarHBondContact O-N 3.01Å |
| 424 | G | 96.5 | Very high | 96.3 | Very high | 34 Ų | 34 | 96 Ų | 96 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.6 | -53.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E420 M421 L422 L426 K427 E428 | E420-G424 PolarHBondContact O-N 2.99Å; M421-G424 PolarHBondContact O-N 3.01Å; L422-G424 VanDerWaalsContact C-N 3.34Å; G424-L426 VanDerWaalsContact C-N 3.29Å; G424-L426 PolarHBondContact O-N 3.14Å; G424-K427 WeakPolarHBondContact O-CB 3.38Å; G424-K427 PolarHBondContact O-N 3.46Å; G424-K427 VanDerWaalsContact O-N 3.17Å; G424-E428 PolarHBondContact O-N 3.14Å |
| 425 | R | 96.6 | Very high | 96.3 | Very high | 146 Ų | 146 | 95.7 Ų | 95.7 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.9 | -34.7 | 177.5 | -70.1 | 177.6 | -175.5 | -168.4 | 2.6 | 113 | M421 L422 T429 | M421-R425 WeakPolarHBondContact O-CG 3.45Å; M421-R425 PolarHBondContact O-N 3.06Å; M421-R425 PolarHBondContact SD-NH2 3.07Å; L422-R425 PolarHBondContact O-N 2.95Å; R425-T429 WeakPolarHBondContact O-CB 3.34Å; R425-T429 PolarHBondContact O-N 3.23Å; R425-T429 PolarHBondContact O-OG1 3.42Å |
| 426 | L | 96.4 | Very high | 96.3 | Very high | 118 Ų | 118 | 96.7 Ų | 96.7 | 62% | 0.618 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.5 | -45 | 174.9 | -179.7 | 61.6 | 0 | 0 | 0 | 111 | L422 I423 G424 T429 Q430 | L422-L426 VanDerWaalsContact O-CB 3.31Å; L422-L426 WeakPolarHBondContact O-CB 3.42Å; L422-L426 PolarHBondContact O-N 3.45Å; I423-L426 PolarHBondContact O-N 3.22Å; G424-L426 VanDerWaalsContact C-N 3.29Å; G424-L426 PolarHBondContact O-N 3.14Å; L426-T429 PolarHBondContact O-N 3.29Å; L426-Q430 VanDerWaalsContact O-CB 3.29Å; L426-Q430 WeakPolarHBondContact O-CB 3.35Å; L426-Q430 PolarHBondContact O-N 2.85Å |
| 427 | K | 97.4 | Very high | 96.2 | Very high | 120 Ų | 120 | 97 Ų | 97 | 52% | 0.522 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 174.8 | -71.1 | 166 | 179.9 | 172.4 | 0 | 111.7 | I423 G424 Q430 I431 | I423-K427 HydrophobicContact CG2-CD 4.21Å; I423-K427 VanDerWaalsContact O-CG 3.32Å; I423-K427 WeakPolarHBondContact O-CG 3.36Å; I423-K427 PolarHBondContact O-N 3.01Å; G424-K427 WeakPolarHBondContact O-CB 3.38Å; G424-K427 PolarHBondContact O-N 3.46Å; G424-K427 VanDerWaalsContact O-N 3.17Å; K427-Q430 PolarHBondContact O-N 3.46Å; K427-I431 VanDerWaalsContact O-CG1 3.28Å; K427-I431 WeakPolarHBondContact O-CG1 3.47Å; K427-I431 PolarHBondContact O-N 3.28Å |
| 428 | E | 95.6 | Very high | 96.2 | Very high | 127 Ų | 127 | 97.2 Ų | 97.2 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.9 | -44.5 | 176.7 | -176.2 | 178.5 | -159.3 | 0 | 0 | 112 | G424 I431 S432 | G424-E428 PolarHBondContact O-N 3.14Å; E428-I431 PolarHBondContact O-N 2.89Å; E428-S432 WeakPolarHBondContact O-CB 3.44Å; E428-S432 PolarHBondContact O-N 2.97Å; E428-S432 PolarHBondContact O-OG 2.73Å |
| 429 | T | 94.6 | Very high | 96.1 | Very high | 88 Ų | 88 | 97.7 Ų | 97.7 | 54% | 0.54 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 175 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | R425 L426 S432 Q433 | R425-T429 WeakPolarHBondContact O-CB 3.34Å; R425-T429 PolarHBondContact O-N 3.23Å; R425-T429 PolarHBondContact O-OG1 3.42Å; L426-T429 PolarHBondContact O-N 3.29Å; T429-S432 PolarHBondContact O-N 2.94Å; T429-Q433 WeakPolarHBondContact O-CB 3.14Å; T429-Q433 PolarHBondContact O-N 2.93Å |
| 430 | Q | 97.8 | Very high | 96.2 | Very high | 122 Ų | 122 | 99 Ų | 99 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.7 | -40.1 | 176.8 | -177 | -179.6 | -7.1 | 0 | 0 | 111.9 | L426 K427 Q433 S434 | L426-Q430 VanDerWaalsContact O-CB 3.29Å; L426-Q430 WeakPolarHBondContact O-CB 3.35Å; L426-Q430 PolarHBondContact O-N 2.85Å; K427-Q430 PolarHBondContact O-N 3.46Å; Q430-Q433 PolarHBondContact O-N 2.72Å; Q430-S434 WeakPolarHBondContact O-CB 3.36Å; Q430-S434 PolarHBondContact O-N 2.7Å |
| 431 | I | 96 | Very high | 96.2 | Very high | 113 Ų | 113 | 99.6 Ų | 99.6 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62 | -49.9 | 173.2 | -69.6 | 162.8 | 0 | 0 | 0 | 109.7 | K427 E428 Q433 S434 L435 | K427-I431 VanDerWaalsContact O-CG1 3.28Å; K427-I431 WeakPolarHBondContact O-CG1 3.47Å; K427-I431 PolarHBondContact O-N 3.28Å; E428-I431 PolarHBondContact O-N 2.89Å; I431-Q433 VanDerWaalsContact C-N 3.32Å; I431-Q433 PolarHBondContact O-N 3.21Å; I431-S434 PolarHBondContact O-N 3.31Å; I431-S434 PolarHBondContact O-OG 2.85Å; I431-L435 PolarHBondContact O-N 2.67Å |
| 432 | S | 93.7 | Very high | 96.2 | Very high | 59 Ų | 59 | 98.4 Ų | 98.4 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.3 | -41.9 | 177.1 | -55.9 | 0 | 0 | 0 | 0 | 112.5 | E428 T429 L435 L436 | E428-S432 WeakPolarHBondContact O-CB 3.44Å; E428-S432 PolarHBondContact O-N 2.97Å; E428-S432 PolarHBondContact O-OG 2.73Å; T429-S432 PolarHBondContact O-N 2.94Å; S432-L435 PolarHBondContact O-N 3Å; S432-L436 WeakPolarHBondContact O-CG 3.27Å; S432-L436 PolarHBondContact O-N 2.9Å |
| 433 | Q | 96.3 | Very high | 96.1 | Very high | 127 Ų | 127 | 97.4 Ų | 97.4 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.7 | -40.2 | 174.6 | -173.1 | -179.3 | 36.4 | 0 | 0 | 111.7 | T429 Q430 I431 T437 | T429-Q433 WeakPolarHBondContact O-CB 3.14Å; T429-Q433 PolarHBondContact O-N 2.93Å; Q430-Q433 PolarHBondContact O-N 2.72Å; I431-Q433 VanDerWaalsContact C-N 3.32Å; I431-Q433 PolarHBondContact O-N 3.21Å; Q433-T437 VanDerWaalsContact O-CB 3.3Å; Q433-T437 WeakPolarHBondContact O-CB 3.5Å; Q433-T437 PolarHBondContact O-N 3.11Å; Q433-T437 PolarHBondContact O-OG1 3.34Å |
| 434 | S | 96 | Very high | 96.1 | Very high | 71 Ų | 71 | 102.3 Ų | 102.3 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.5 | -38.6 | 178.1 | 76.9 | 0 | 0 | 0 | 0 | 112.2 | Q430 I431 T437 S438 | Q430-S434 WeakPolarHBondContact O-CB 3.36Å; Q430-S434 PolarHBondContact O-N 2.7Å; I431-S434 PolarHBondContact O-N 3.31Å; I431-S434 PolarHBondContact O-OG 2.85Å; S434-T437 PolarHBondContact O-N 3.1Å; S434-S438 PolarHBondContact O-N 2.85Å |
| 435 | L | 96.5 | Very high | 96.1 | Very high | 96 Ų | 96 | 104.4 Ų | 104.4 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -55.2 | 174.2 | -179 | 63.7 | 0 | 0 | 0 | 110.8 | I431 S432 T437 S438 E439 | I431-L435 PolarHBondContact O-N 2.67Å; S432-L435 PolarHBondContact O-N 3Å; L435-T437 PolarHBondContact O-N 3.5Å; L435-S438 CarbonylContact O-C 3.48Å; L435-S438 WeakPolarHBondContact O-CA 3.41Å; L435-S438 WeakPolarHBondContact O-CB 3.4Å; L435-S438 PolarHBondContact O-N 3.04Å; L435-S438 PolarHBondContact O-OG 2.88Å; L435-E439 PolarHBondContact O-N 3.12Å |
| 436 | L | 95.8 | Very high | 96.1 | Very high | 100 Ų | 100 | 102.5 Ų | 102.5 | 52% | 0.524 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.3 | -35.8 | 176.9 | -70.1 | 168.9 | 0 | 0 | 0 | 112.4 | S432 E439 L440 | S432-L436 WeakPolarHBondContact O-CG 3.27Å; S432-L436 PolarHBondContact O-N 2.9Å; L436-E439 PolarHBondContact O-N 3.34Å; L436-L440 WeakPolarHBondContact O-CB 3.36Å; L436-L440 VanDerWaalsContact O-CG 3.29Å; L436-L440 WeakPolarHBondContact O-CG 3.44Å; L436-L440 PolarHBondContact O-N 3.14Å |
| 437 | T | 96.6 | Very high | 96.2 | Very high | 86 Ų | 86 | 104.8 Ų | 104.8 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 174.2 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | Q433 S434 L435 K441 | Q433-T437 VanDerWaalsContact O-CB 3.3Å; Q433-T437 WeakPolarHBondContact O-CB 3.5Å; Q433-T437 PolarHBondContact O-N 3.11Å; Q433-T437 PolarHBondContact O-OG1 3.34Å; S434-T437 PolarHBondContact O-N 3.1Å; L435-T437 PolarHBondContact O-N 3.5Å; T437-K441 PolarHBondContact O-N 2.77Å |
| 438 | S | 95.3 | Very high | 96.2 | Very high | 63 Ų | 63 | 103.1 Ų | 103.1 | 44% | 0.441 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69 | -35.9 | 175.5 | 80.6 | 0 | 0 | 0 | 0 | 112.7 | S434 L435 K441 N442 | S434-S438 PolarHBondContact O-N 2.85Å; L435-S438 CarbonylContact O-C 3.48Å; L435-S438 WeakPolarHBondContact O-CA 3.41Å; L435-S438 WeakPolarHBondContact O-CB 3.4Å; L435-S438 PolarHBondContact O-N 3.04Å; L435-S438 PolarHBondContact O-OG 2.88Å; S438-K441 PolarHBondContact O-N 3.39Å; S438-N442 VanDerWaalsContact O-CB 3.31Å; S438-N442 WeakPolarHBondContact O-CB 3.34Å; S438-N442 PolarHBondContact O-N 2.95Å |
| 439 | E | 96.2 | Very high | 96.2 | Very high | 94 Ų | 94 | 102.6 Ų | 102.6 | 44% | 0.439 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.1 | -45.5 | 173.7 | -70.6 | 179.6 | 177.5 | 0 | 0 | 111.6 | L435 L436 K441 N442 L443 | L435-E439 PolarHBondContact O-N 3.12Å; L436-E439 PolarHBondContact O-N 3.34Å; E439-K441 VanDerWaalsContact C-N 3.26Å; E439-K441 PolarHBondContact O-N 3.11Å; E439-N442 PolarHBondContact O-N 3.42Å; E439-L443 WeakPolarHBondContact O-CB 3.2Å; E439-L443 WeakPolarHBondContact O-CG 3.42Å; E439-L443 PolarHBondContact O-N 2.82Å |
| 440 | L | 96.5 | Very high | 96.3 | Very high | 119 Ų | 119 | 102.1 Ų | 102.1 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.2 | -34.4 | 174 | -74.2 | 172.2 | 0 | 0 | 0 | 112.4 | L436 R444 | L436-L440 WeakPolarHBondContact O-CB 3.36Å; L436-L440 VanDerWaalsContact O-CG 3.29Å; L436-L440 WeakPolarHBondContact O-CG 3.44Å; L436-L440 PolarHBondContact O-N 3.14Å; L440-R444 WeakPolarHBondContact O-CB 3.28Å; L440-R444 PolarHBondContact O-N 3.43Å |
| 441 | K | 96.2 | Very high | 96.3 | Very high | 130 Ų | 130 | 100.7 Ų | 100.7 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.4 | -50.8 | 171.1 | -169 | -162 | 168.5 | -164.2 | 0 | 111.2 | T437 S438 E439 L443 R444 D445 | T437-K441 PolarHBondContact O-N 2.77Å; S438-K441 PolarHBondContact O-N 3.39Å; E439-K441 VanDerWaalsContact C-N 3.26Å; E439-K441 PolarHBondContact O-N 3.11Å; K441-L443 VanDerWaalsContact C-N 3.27Å; K441-L443 PolarHBondContact O-N 2.78Å; K441-R444 CarbonylContact O-C 3.49Å; K441-R444 WeakPolarHBondContact O-CA 3.46Å; K441-R444 WeakPolarHBondContact O-CB 3.43Å; K441-R444 PolarHBondContact O-N 3.25Å; K441-D445 VanDerWaalsContact CE-OD2 3.31Å; K441-D445 WeakPolarHBondContact CE-OD2 3.34Å; K441-D445 IonicContact NZ-OD2 3.97Å; K441-D445 PolarHBondContact O-N 2.81Å |
| 442 | N | 96.6 | Very high | 96.3 | Very high | 82 Ų | 82 | 99.6 Ų | 99.6 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.7 | -40.3 | 179 | -172.8 | -44.3 | 0 | 0 | 0 | 112 | S438 E439 K446 | S438-N442 VanDerWaalsContact O-CB 3.31Å; S438-N442 WeakPolarHBondContact O-CB 3.34Å; S438-N442 PolarHBondContact O-N 2.95Å; E439-N442 PolarHBondContact O-N 3.42Å; N442-K446 WeakPolarHBondContact O-CD 3.32Å; N442-K446 WeakPolarHBondContact O-CG 3.32Å; N442-K446 PolarHBondContact O-N 3.38Å; N442-K446 VanDerWaalsContact O-N 3.1Å; N442-K446 WeakPolarHBondContact OD1-CE 3.43Å; N442-K446 PolarHBondContact OD1-NZ 3.48Å |
| 443 | L | 94.9 | Very high | 96.3 | Very high | 84 Ų | 84 | 101.3 Ų | 101.3 | 44% | 0.44 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 172.5 | -71.4 | 171.6 | 0 | 0 | 0 | 112.4 | E439 K441 K446 Y447 | E439-L443 WeakPolarHBondContact O-CB 3.2Å; E439-L443 WeakPolarHBondContact O-CG 3.42Å; E439-L443 PolarHBondContact O-N 2.82Å; K441-L443 VanDerWaalsContact C-N 3.27Å; K441-L443 PolarHBondContact O-N 2.78Å; L443-K446 PolarHBondContact O-N 3.43Å; L443-Y447 HydrophobicContact CB-CE2 4.33Å; L443-Y447 WeakPolarHBondContact O-CD2 3.32Å; L443-Y447 PolarHBondContact O-N 2.79Å |
| 444 | R | 97.5 | Very high | 96.3 | Very high | 169 Ų | 169 | 102 Ų | 102 | 64% | 0.638 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.1 | -50.6 | 173.2 | 177.7 | -176.8 | -63.3 | -127.4 | -1.1 | 111.6 | L440 K441 K446 Y447 D448 | L440-R444 WeakPolarHBondContact O-CB 3.28Å; L440-R444 PolarHBondContact O-N 3.43Å; K441-R444 CarbonylContact O-C 3.49Å; K441-R444 WeakPolarHBondContact O-CA 3.46Å; K441-R444 WeakPolarHBondContact O-CB 3.43Å; K441-R444 PolarHBondContact O-N 3.25Å; R444-K446 PolarHBondContact O-N 2.78Å; R444-Y447 WeakPolarHBondContact O-CA 3.4Å; R444-Y447 WeakPolarHBondContact O-CB 3.37Å; R444-Y447 PolarHBondContact O-N 2.75Å; R444-D448 PolarHBondContact O-N 3.08Å |
| 445 | D | 96.5 | Very high | 96.4 | Very high | 78 Ų | 78 | 101.1 Ų | 101.1 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.4 | -38.8 | -178.4 | -61.8 | -17.1 | 0 | 0 | 0 | 110.3 | K441 D448 E449 | K441-D445 VanDerWaalsContact CE-OD2 3.31Å; K441-D445 WeakPolarHBondContact CE-OD2 3.34Å; K441-D445 IonicContact NZ-OD2 3.97Å; K441-D445 PolarHBondContact O-N 2.81Å; D445-D448 PolarHBondContact O-N 2.79Å; D445-E449 WeakPolarHBondContact O-CB 3.4Å; D445-E449 PolarHBondContact O-N 3.22Å |
| 446 | K | 96.7 | Very high | 96.3 | Very high | 106 Ų | 106 | 102.8 Ų | 102.8 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.2 | -36.5 | 171.4 | -75.5 | 165.8 | 173.8 | 157.5 | 0 | 114.7 | N442 L443 R444 C450 | N442-K446 WeakPolarHBondContact O-CD 3.32Å; N442-K446 WeakPolarHBondContact O-CG 3.32Å; N442-K446 PolarHBondContact O-N 3.38Å; N442-K446 VanDerWaalsContact O-N 3.1Å; N442-K446 WeakPolarHBondContact OD1-CE 3.43Å; N442-K446 PolarHBondContact OD1-NZ 3.48Å; L443-K446 PolarHBondContact O-N 3.43Å; R444-K446 PolarHBondContact O-N 2.78Å; K446-C450 WeakPolarHBondContact O-CB 3.39Å; K446-C450 PolarHBondContact O-N 2.91Å; K446-C450 PolarHBondContact O-SG 2.84Å |
| 447 | Y | 97.7 | Very high | 96.2 | Very high | 167 Ų | 167 | 100.1 Ų | 100.1 | 66% | 0.655 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68 | -38.9 | 174.1 | -74.9 | -58.4 | 0 | 0 | 0 | 111.3 | L443 R444 C450 L451 | L443-Y447 HydrophobicContact CB-CE2 4.33Å; L443-Y447 WeakPolarHBondContact O-CD2 3.32Å; L443-Y447 PolarHBondContact O-N 2.79Å; R444-Y447 WeakPolarHBondContact O-CA 3.4Å; R444-Y447 WeakPolarHBondContact O-CB 3.37Å; R444-Y447 PolarHBondContact O-N 2.75Å; Y447-C450 PolarHBondContact O-N 3.23Å; Y447-L451 WeakPolarHBondContact O-CB 3.29Å; Y447-L451 PolarHBondContact O-N 3.29Å |
| 448 | D | 97.4 | Very high | 96.2 | Very high | 84 Ų | 84 | 101.7 Ų | 101.7 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.9 | -37.8 | 175.8 | -73.4 | -36 | 0 | 0 | 0 | 111.3 | R444 D445 L451 T452 | R444-D448 PolarHBondContact O-N 3.08Å; D445-D448 PolarHBondContact O-N 2.79Å; D448-L451 CarbonylContact O-C 3.36Å; D448-L451 WeakPolarHBondContact O-CB 3.26Å; D448-L451 PolarHBondContact O-N 2.95Å; D448-L451 VanDerWaalsContact O-N 3.16Å; D448-T452 PolarHBondContact O-N 2.91Å |
| 449 | E | 96.3 | Very high | 96.1 | Very high | 116 Ų | 116 | 103.4 Ų | 103.4 | 54% | 0.542 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 168.7 | -177.9 | -178.5 | -160.5 | 0 | 0 | 112.2 | D445 L451 T452 L453 | D445-E449 WeakPolarHBondContact O-CB 3.4Å; D445-E449 PolarHBondContact O-N 3.22Å; E449-L451 PolarHBondContact O-N 3.35Å; E449-T452 PolarHBondContact O-N 2.87Å; E449-T452 PolarHBondContact O-OG1 2.78Å; E449-L453 HydrophobicContact CG-CD1 4.24Å; E449-L453 WeakPolarHBondContact O-CG 3.31Å; E449-L453 PolarHBondContact O-N 2.81Å |
| 450 | C | 96.5 | Very high | 95.9 | Very high | 79 Ų | 79 | 104.7 Ų | 104.7 | 53% | 0.534 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.4 | -34.3 | 173.5 | -69.5 | 0 | 0 | 0 | 0 | 112.1 | K446 Y447 Y454 | K446-C450 WeakPolarHBondContact O-CB 3.39Å; K446-C450 PolarHBondContact O-N 2.91Å; K446-C450 PolarHBondContact O-SG 2.84Å; Y447-C450 PolarHBondContact O-N 3.23Å; C450-Y454 VanDerWaalsContact O-CB 3.27Å; C450-Y454 WeakPolarHBondContact O-CB 3.46Å; C450-Y454 PolarHBondContact O-N 2.87Å |
| 451 | L | 96.6 | Very high | 95.6 | Very high | 91 Ų | 91 | 102.8 Ų | 102.8 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -75.6 | -33.6 | 179 | -176.5 | 60.8 | 0 | 0 | 0 | 112.9 | Y447 D448 E449 Y454 N455 | Y447-L451 WeakPolarHBondContact O-CB 3.29Å; Y447-L451 PolarHBondContact O-N 3.29Å; D448-L451 CarbonylContact O-C 3.36Å; D448-L451 WeakPolarHBondContact O-CB 3.26Å; D448-L451 PolarHBondContact O-N 2.95Å; D448-L451 VanDerWaalsContact O-N 3.16Å; E449-L451 PolarHBondContact O-N 3.35Å; L451-Y454 HydrophobicContact CD1-CD1 4.46Å; L451-N455 WeakPolarHBondContact O-CB 3.44Å; L451-N455 PolarHBondContact O-N 3.27Å; L451-N455 VanDerWaalsContact O-N 3.09Å; L451-N455 PolarHBondContact O-ND2 3.34Å |
| 452 | T | 95.9 | Very high | 95.4 | Very high | 90 Ų | 90 | 102.5 Ų | 102.5 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.3 | -48.9 | 172.1 | 56.9 | 0 | 0 | 0 | 0 | 110.4 | D448 E449 Y454 N455 E456 | D448-T452 PolarHBondContact O-N 2.91Å; E449-T452 PolarHBondContact O-N 2.87Å; E449-T452 PolarHBondContact O-OG1 2.78Å; T452-Y454 VanDerWaalsContact C-N 3.33Å; T452-Y454 PolarHBondContact O-N 2.85Å; T452-N455 CarbonylContact O-C 3.56Å; T452-N455 PolarHBondContact O-N 2.63Å; T452-E456 PolarHBondContact O-N 3.05Å |
| 453 | L | 95.3 | Very high | 95.1 | Very high | 95 Ų | 95 | 100.1 Ų | 100.1 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.9 | -42.1 | 176 | -68.8 | 171.3 | 0 | 0 | 0 | 112.3 | E449 N455 E456 A457 | E449-L453 HydrophobicContact CG-CD1 4.24Å; E449-L453 WeakPolarHBondContact O-CG 3.31Å; E449-L453 PolarHBondContact O-N 2.81Å; L453-N455 PolarHBondContact O-N 3.32Å; L453-E456 PolarHBondContact O-N 3.45Å; L453-A457 WeakPolarHBondContact O-CB 3.49Å; L453-A457 PolarHBondContact O-N 2.98Å |
| 454 | Y | 96.3 | Very high | 94.6 | Very high | 143 Ų | 143 | 100.4 Ų | 100.4 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.1 | -42.5 | 173.4 | 172.6 | -98.2 | 0 | 0 | 0 | 112.4 | C450 L451 T452 R458 | C450-Y454 VanDerWaalsContact O-CB 3.27Å; C450-Y454 WeakPolarHBondContact O-CB 3.46Å; C450-Y454 PolarHBondContact O-N 2.87Å; L451-Y454 HydrophobicContact CD1-CD1 4.46Å; T452-Y454 VanDerWaalsContact C-N 3.33Å; T452-Y454 PolarHBondContact O-N 2.85Å; Y454-R458 VanDerWaalsContact O-CB 3.26Å; Y454-R458 WeakPolarHBondContact O-CB 3.33Å; Y454-R458 PolarHBondContact O-N 3.2Å |
| 455 | N | 96.3 | Very high | 94.2 | Very high | 51 Ų | 51 | 100.8 Ų | 100.8 | 27% | 0.273 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.2 | -35.3 | 177.6 | -82.4 | -69.2 | 0 | 0 | 0 | 112.5 | L451 T452 L453 R458 L459 | L451-N455 WeakPolarHBondContact O-CB 3.44Å; L451-N455 PolarHBondContact O-N 3.27Å; L451-N455 VanDerWaalsContact O-N 3.09Å; L451-N455 PolarHBondContact O-ND2 3.34Å; T452-N455 CarbonylContact O-C 3.56Å; T452-N455 PolarHBondContact O-N 2.63Å; L453-N455 PolarHBondContact O-N 3.32Å; N455-R458 CarbonylContact O-C 3.53Å; N455-R458 PolarHBondContact O-N 3.39Å; N455-R458 PolarHBondContact OD1-NH2 2.96Å; N455-L459 WeakPolarHBondContact O-CB 3.26Å; N455-L459 VanDerWaalsContact O-CG 3.3Å; N455-L459 WeakPolarHBondContact O-CG 3.19Å; N455-L459 PolarHBondContact O-N 2.97Å |
| 456 | E | 94.4 | Very high | 93.5 | Very high | 131 Ų | 131 | 104.2 Ų | 104.2 | 61% | 0.612 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.7 | -53.1 | 173.4 | -178.2 | 168.1 | -157.3 | 0 | 0 | 111 | T452 L453 R458 L459 E460 | T452-E456 PolarHBondContact O-N 3.05Å; L453-E456 PolarHBondContact O-N 3.45Å; E456-R458 PolarHBondContact O-N 3.43Å; E456-L459 CarbonylContact O-C 3.56Å; E456-L459 WeakPolarHBondContact O-CA 3.48Å; E456-L459 WeakPolarHBondContact O-CB 3.48Å; E456-L459 PolarHBondContact O-N 3.47Å; E456-E460 PolarHBondContact O-N 3.39Å |
| 457 | A | 95 | Very high | 92.7 | Very high | 45 Ų | 45 | 108.4 Ų | 108.4 | 37% | 0.372 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.6 | -37.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L453 L459 E460 I461 | L453-A457 WeakPolarHBondContact O-CB 3.49Å; L453-A457 PolarHBondContact O-N 2.98Å; A457-L459 VanDerWaalsContact C-N 3.35Å; A457-L459 PolarHBondContact O-N 2.9Å; A457-E460 PolarHBondContact O-N 2.87Å; A457-I461 WeakPolarHBondContact O-CB 3.31Å; A457-I461 WeakPolarHBondContact O-CD1 3.23Å; A457-I461 VanDerWaalsContact O-CG1 3.23Å; A457-I461 WeakPolarHBondContact O-CG1 3.23Å; A457-I461 PolarHBondContact O-N 3.23Å |
| 458 | R | 95.9 | Very high | 91.4 | Very high | 118 Ų | 118 | 104.9 Ų | 104.9 | 45% | 0.445 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.5 | -29.2 | 175.1 | -165.1 | 173 | 69.4 | 146.9 | -3.1 | 113 | Y454 N455 E456 R462 | Y454-R458 VanDerWaalsContact O-CB 3.26Å; Y454-R458 WeakPolarHBondContact O-CB 3.33Å; Y454-R458 PolarHBondContact O-N 3.2Å; N455-R458 CarbonylContact O-C 3.53Å; N455-R458 PolarHBondContact O-N 3.39Å; N455-R458 PolarHBondContact OD1-NH2 2.96Å; E456-R458 PolarHBondContact O-N 3.43Å; R458-R462 WeakPolarHBondContact O-CB 3.31Å; R458-R462 PolarHBondContact O-N 3.43Å |
| 459 | L | 94 | Very high | 89.8 | Confident | 99 Ų | 99 | 111 Ų | 111 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -77.2 | -38.4 | 171.5 | -74.2 | 171.6 | 0 | 0 | 0 | 111.8 | N455 E456 A457 R462 G463 | N455-L459 WeakPolarHBondContact O-CB 3.26Å; N455-L459 VanDerWaalsContact O-CG 3.3Å; N455-L459 WeakPolarHBondContact O-CG 3.19Å; N455-L459 PolarHBondContact O-N 2.97Å; E456-L459 CarbonylContact O-C 3.56Å; E456-L459 WeakPolarHBondContact O-CA 3.48Å; E456-L459 WeakPolarHBondContact O-CB 3.48Å; E456-L459 PolarHBondContact O-N 3.47Å; A457-L459 VanDerWaalsContact C-N 3.35Å; A457-L459 PolarHBondContact O-N 2.9Å; L459-R462 CarbonylContact O-C 3.52Å; L459-R462 WeakPolarHBondContact O-CB 3.43Å; L459-R462 PolarHBondContact O-N 3.31Å; L459-G463 PolarHBondContact O-N 2.98Å |
| 460 | E | 92 | Very high | 88 | Confident | 121 Ų | 121 | 116.1 Ų | 116.1 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63 | -50.8 | 174.7 | -165.1 | -159.8 | 177.8 | 0 | 0 | 110.4 | E456 A457 R462 G463 L464 | E456-E460 PolarHBondContact O-N 3.39Å; A457-E460 PolarHBondContact O-N 2.87Å; E460-R462 PolarHBondContact O-N 3.49Å; E460-G463 CarbonylContact O-C 3.57Å; E460-G463 WeakPolarHBondContact O-CA 3.36Å; E460-G463 PolarHBondContact O-N 3.04Å; E460-L464 HydrophobicContact CG-CD1 4.23Å; E460-L464 HydrophobicContact CG-CG 4.38Å; E460-L464 WeakPolarHBondContact O-CG 3.39Å; E460-L464 PolarHBondContact O-N 2.62Å |
| 461 | I | 89.3 | Confident | 86 | Confident | 79 Ų | 79 | 115.5 Ų | 115.5 | 41% | 0.405 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -55.3 | -37.7 | 173.6 | -70.6 | 166.1 | 0 | 0 | 0 | 111 | A457 R465 | A457-I461 WeakPolarHBondContact O-CB 3.31Å; A457-I461 WeakPolarHBondContact O-CD1 3.23Å; A457-I461 VanDerWaalsContact O-CG1 3.23Å; A457-I461 WeakPolarHBondContact O-CG1 3.23Å; A457-I461 PolarHBondContact O-N 3.23Å; I461-R465 VanDerWaalsContact CG2-CZ 3.45Å; I461-R465 VanDerWaalsContact O-CB 3.3Å; I461-R465 WeakPolarHBondContact O-CB 3.45Å; I461-R465 WeakPolarHBondContact O-CD 3.5Å; I461-R465 WeakPolarHBondContact O-CG 3.28Å; I461-R465 PolarHBondContact O-N 2.97Å |
| 462 | R | 91.8 | Very high | 83.2 | Confident | 124 Ų | 124 | 120.2 Ų | 120.2 | 47% | 0.468 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.9 | -36.2 | 174.5 | -171.7 | -173.6 | -65.6 | 173.1 | -3.6 | 111.9 | R458 L459 E460 K466 | R458-R462 WeakPolarHBondContact O-CB 3.31Å; R458-R462 PolarHBondContact O-N 3.43Å; L459-R462 CarbonylContact O-C 3.52Å; L459-R462 WeakPolarHBondContact O-CB 3.43Å; L459-R462 PolarHBondContact O-N 3.31Å; E460-R462 PolarHBondContact O-N 3.49Å; R462-K466 WeakPolarHBondContact O-CG 3.22Å; R462-K466 PolarHBondContact O-N 3.3Å |
| 463 | G | 89.9 | Confident | 80.9 | Confident | 33 Ų | 33 | 126.5 Ų | 126.5 | 34% | 0.34 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.1 | -47.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L459 E460 R465 K466 R467 | L459-G463 PolarHBondContact O-N 2.98Å; E460-G463 CarbonylContact O-C 3.57Å; E460-G463 WeakPolarHBondContact O-CA 3.36Å; E460-G463 PolarHBondContact O-N 3.04Å; G463-R465 PolarHBondContact O-N 2.64Å; G463-K466 CarbonylContact O-C 3.53Å; G463-K466 WeakPolarHBondContact O-CA 3.31Å; G463-K466 WeakPolarHBondContact O-CB 3.32Å; G463-K466 PolarHBondContact O-N 2.87Å; G463-K466 VanDerWaalsContact O-N 3.11Å; G463-R467 WeakPolarHBondContact O-CB 3.35Å; G463-R467 PolarHBondContact O-N 3.35Å |
| 464 | L | 86.4 | Confident | 78.5 | Confident | 89 Ų | 89 | 133.7 Ų | 133.7 | 47% | 0.466 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.8 | -43.7 | 173.8 | -67.5 | 173.1 | 0 | 0 | 0 | 111.1 | E460 K466 R467 S468 | E460-L464 HydrophobicContact CG-CD1 4.23Å; E460-L464 HydrophobicContact CG-CG 4.38Å; E460-L464 WeakPolarHBondContact O-CG 3.39Å; E460-L464 PolarHBondContact O-N 2.62Å; L464-K466 PolarHBondContact O-N 2.88Å; L464-R467 PolarHBondContact O-N 3.07Å; L464-S468 VanDerWaalsContact O-CB 3.31Å; L464-S468 WeakPolarHBondContact O-CB 3.49Å; L464-S468 PolarHBondContact O-N 3.42Å |
| 465 | R | 88.1 | Confident | 75.7 | Confident | 178 Ų | 178 | 131.9 Ų | 131.9 | 67% | 0.672 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61 | -40.9 | 171.9 | -73.3 | 169.2 | -174.4 | 179.4 | 4.8 | 112.2 | I461 G463 R469 | I461-R465 VanDerWaalsContact CG2-CZ 3.45Å; I461-R465 VanDerWaalsContact O-CB 3.3Å; I461-R465 WeakPolarHBondContact O-CB 3.45Å; I461-R465 WeakPolarHBondContact O-CD 3.5Å; I461-R465 WeakPolarHBondContact O-CG 3.28Å; I461-R465 PolarHBondContact O-N 2.97Å; G463-R465 PolarHBondContact O-N 2.64Å; R465-R469 WeakPolarHBondContact O-CG 3.41Å; R465-R469 PolarHBondContact O-N 3.48Å; R465-R469 VanDerWaalsContact O-N 3.14Å |
| 466 | K | 81.7 | Confident | 73 | Confident | 149 Ų | 149 | 136.9 Ų | 136.9 | 65% | 0.648 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.5 | -36.6 | 173.6 | -79 | 177.9 | 176 | -174.4 | 0 | 112.9 | R462 G463 L464 | R462-K466 WeakPolarHBondContact O-CG 3.22Å; R462-K466 PolarHBondContact O-N 3.3Å; G463-K466 CarbonylContact O-C 3.53Å; G463-K466 WeakPolarHBondContact O-CA 3.31Å; G463-K466 WeakPolarHBondContact O-CB 3.32Å; G463-K466 PolarHBondContact O-N 2.87Å; G463-K466 VanDerWaalsContact O-N 3.11Å; L464-K466 PolarHBondContact O-N 2.88Å |
| 467 | R | 79.4 | Confident | 70.6 | Confident | 195 Ų | 195 | 135.2 Ų | 135.2 | 74% | 0.736 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.3 | -43.9 | 179.3 | -171.1 | 167.5 | -74 | 154.9 | -1.9 | 111.5 | G463 L464 R469 R470 | G463-R467 WeakPolarHBondContact O-CB 3.35Å; G463-R467 PolarHBondContact O-N 3.35Å; L464-R467 PolarHBondContact O-N 3.07Å; R467-R469 VanDerWaalsContact C-N 3.29Å; R467-R469 PolarHBondContact O-N 2.91Å; R467-R470 PolarHBondContact O-N 3.18Å |
| 468 | S | 71.5 | Confident | 68.3 | Low | 93 Ų | 93 | 140.1 Ų | 140.1 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -54.5 | -42.3 | 170.6 | 170 | 0 | 0 | 0 | 0 | 112.1 | L464 R470 G471 | L464-S468 VanDerWaalsContact O-CB 3.31Å; L464-S468 WeakPolarHBondContact O-CB 3.49Å; L464-S468 PolarHBondContact O-N 3.42Å; S468-R470 PolarHBondContact O-N 3.31Å; S468-R470 VanDerWaalsContact O-N 3.07Å; S468-G471 PolarHBondContact O-N 3.4Å; S468-G471 VanDerWaalsContact O-N 3.14Å |
| 469 | R | 64.1 | Low | 65.9 | Low | 212 Ų | 212 | 142.8 Ų | 142.8 | 80% | 0.8 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -6.8 | 176 | -68 | -87.5 | -173.9 | 179.6 | 0.8 | 115.1 | R465 R467 | R465-R469 WeakPolarHBondContact O-CG 3.41Å; R465-R469 PolarHBondContact O-N 3.48Å; R465-R469 VanDerWaalsContact O-N 3.14Å; R467-R469 VanDerWaalsContact C-N 3.29Å; R467-R469 PolarHBondContact O-N 2.91Å |
| 470 | R | 57.9 | Low | 63 | Low | 224 Ų | 224 | 142.9 Ų | 142.9 | 85% | 0.845 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -1.8 | 174.4 | -74.9 | -165 | 172.1 | -151.9 | -1.4 | 114.3 | R467 S468 | R467-R470 PolarHBondContact O-N 3.18Å; S468-R470 PolarHBondContact O-N 3.31Å; S468-R470 VanDerWaalsContact O-N 3.07Å |
| 471 | G | 53.4 | Low | 60.3 | Low | 65 Ų | 65 | 142.3 Ų | 142.3 | 67% | 0.67 | 69% | 0.694 | S | S | * | * | trans | -93.1 | 97.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S468 | S468-G471 PolarHBondContact O-N 3.4Å; S468-G471 VanDerWaalsContact O-N 3.14Å | ||
| 472 | Y | 39.5 | Very low | 57.8 | Low | 191 Ų | 191 | 144 Ų | 144 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | trans | -93.5 | 158.3 | 168.4 | -73.3 | -94.9 | 0 | 0 | 0 | 111 | ||||
| 473 | Y | 47.6 | Very low | 55.4 | Low | 222 Ų | 222 | 143.2 Ų | 143.2 | 87% | 0.871 | 73% | 0.726 | S | S | * | * | trans | 74.4 | 68.7 | 168.5 | -49.4 | -75.7 | 0 | 0 | 0 | 119.9 | ||||
| 474 | R | 43.4 | Very low | 53.2 | Low | 245 Ų | 245 | 147.7 Ų | 147.7 | 93% | 0.925 | 75% | 0.747 | S | S | * | * | -165.5 | 134.9 | 125.7 | -117.2 | -175.1 | 179.3 | -158.5 | -0.2 | 113.1 | |||||
| 475 | P | 37.8 | Very low | 51 | Low | 106 Ų | 106 | 148.9 Ų | 148.9 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | trans | -95 | -175.5 | 169.2 | 38.6 | -34.5 | 0 | 0 | 0 | 112.4 | ||||
| 476 | N | 39.7 | Very low | 48.3 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | 79.2 | 137.8 | 179.5 | -60.3 | 2.6 | 0 | 0 | 0 | 114.9 | ||||
| 477 | S | 44.8 | Very low | 45.9 | Very low | 96 Ų | 96 | 147.6 Ų | 147.6 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | cis | -156.5 | 150.9 | -11.9 | -154.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 478 | L | 46.9 | Very low | 43.6 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | trans | 32 | 113.7 | 154.6 | -62.2 | 168 | 0 | 0 | 0 | 119.4 | ||||
| 479 | I | 44.1 | Very low | 42.1 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 89% | 0.892 | 79% | 0.786 | S | S | * | * | -158.2 | 132.3 | 100.5 | -94.8 | 153.5 | 0 | 0 | 0 | 108.5 | |||||
| 480 | S | 34.8 | Very low | 40.6 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | -94.8 | 135.2 | 178.2 | -56.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 481 | S | 33.9 | Very low | 40.2 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | 172.4 | 148.2 | 115.7 | -75.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 482 | S | 37 | Very low | 39.5 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | 48.4 | 116.3 | 155.5 | 57.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 483 | S | 41.4 | Very low | 39.6 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 72.3 | 76 | 132.7 | -156.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 484 | V | 43.3 | Very low | 39.5 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | 41.2 | 92.7 | 115.2 | -172.3 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 485 | V | 40 | Very low | 39.5 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | trans | 25.8 | 109.4 | 146 | -71.4 | 0 | 0 | 0 | 0 | 121 | T487 | V485-T487 PolarHBondContact O-N 2.85Å; V485-T487 VanDerWaalsContact O-N 3.12Å; V485-T487 PolarHBondContact O-OG1 3.22Å | ||
| 486 | N | 31.2 | Very low | 39.6 | Very low | 173 Ų | 173 | 126.1 Ų | 126.1 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | trans | -11.4 | 101.7 | 141.5 | -60.2 | -6.6 | 0 | 0 | 0 | 114.9 | ||||
| 487 | T | 32.4 | Very low | 39.7 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -147.5 | 135.7 | 168.5 | -47.5 | 0 | 0 | 0 | 0 | 108.8 | V485 | V485-T487 PolarHBondContact O-N 2.85Å; V485-T487 VanDerWaalsContact O-N 3.12Å; V485-T487 PolarHBondContact O-OG1 3.22Å | ||
| 488 | A | 30.2 | Very low | 39.2 | Very low | 85 Ų | 85 | 133 Ų | 133 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | trans | 58.5 | 105.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 489 | I | 40.2 | Very low | 38.7 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 91% | 0.908 | 79% | 0.787 | S | S | * | * | trans | -85.3 | 116.8 | 152.7 | -63.2 | 174.4 | 0 | 0 | 0 | 106.6 | ||||
| 490 | L | 34 | Very low | 38.2 | Very low | 137 Ų | 137 | 128.4 Ų | 128.4 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | -150.8 | 104.6 | -175 | -157 | 169.9 | 0 | 0 | 0 | 110.9 | S492 | L490-S492 PolarHBondContact O-N 3.31Š| ||
| 491 | P | 48 | Very low | 38.2 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | trans | -76.8 | 106.9 | 179.5 | -18.1 | 33.4 | 0 | 0 | 0 | 114 | ||||
| 492 | S | 40 | Very low | 38.1 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | 23.4 | 118.7 | 145.1 | 57.3 | 0 | 0 | 0 | 0 | 121.2 | L490 | L490-S492 PolarHBondContact O-N 3.31Š| ||
| 493 | L | 40.4 | Very low | 38.1 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -72 | 155.3 | 155.6 | -82.7 | 64.7 | 0 | 0 | 0 | 112.2 | ||||
| 494 | P | 45.1 | Very low | 37.9 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -89.6 | 126.1 | 145.7 | 33.6 | -26.8 | 0 | 0 | 0 | 111 | ||||
| 495 | P | 44 | Very low | 37.6 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -108.5 | 135.1 | 177.6 | 36 | -28.9 | 0 | 0 | 0 | 113.7 | ||||
| 496 | S | 40 | Very low | 37.3 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -149 | 89 | 170.8 | 34.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 497 | Y | 42.2 | Very low | 37.6 | Very low | 224 Ų | 224 | 128.9 Ų | 128.9 | 88% | 0.878 | 77% | 0.773 | S | S | * | * | trans | 68.6 | 108.2 | 146.4 | -54.2 | -69.4 | 0 | 0 | 0 | 121.7 | ||||
| 498 | L | 34.4 | Very low | 37.8 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -74.3 | 136 | 155.2 | -80.5 | 157.6 | 0 | 0 | 0 | 112 | ||||
| 499 | N | 36.4 | Very low | 38.1 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -162.5 | 148.5 | 144.5 | -108 | -8 | 0 | 0 | 0 | 106 | ||||
| 500 | G | 32.7 | Very low | 37.9 | Very low | 65 Ų | 65 | 128.2 Ų | 128.2 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | cis | 96.3 | 106.8 | 23 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 501 | A | 34.7 | Very low | 37.9 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | cis | -156.3 | 175.1 | 1.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 502 | A | 32.5 | Very low | 37.4 | Very low | 89 Ų | 89 | 126.4 Ų | 126.4 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | 19.5 | 128.1 | 159 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 503 | L | 37.8 | Very low | 37 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 81% | 0.806 | 73% | 0.733 | S | S | * | * | 177.5 | 112.2 | 107 | -94.5 | 172.7 | 0 | 0 | 0 | 114 | |||||
| 504 | T | 37.6 | Very low | 36.5 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 80% | 0.798 | 74% | 0.735 | S | S | * | * | trans | 54.4 | 155.8 | 145.2 | 45.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 505 | P | 36.5 | Very low | 35.7 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | trans | -121.3 | 152.4 | -159.1 | 40.8 | -27.3 | 0 | 0 | 0 | 116.9 | ||||
| 506 | Q | 33 | Very low | 35.2 | Very low | 190 Ų | 190 | 132.9 Ų | 132.9 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | trans | 179.1 | 152.7 | 153.7 | -99.5 | -176.6 | -103.5 | 0 | 0 | 107.3 | ||||
| 507 | S | 37 | Very low | 34.6 | Very low | 79 Ų | 79 | 135.3 Ų | 135.3 | 55% | 0.552 | 73% | 0.726 | S | S | * | * | cis | -164.3 | 141.7 | -16.2 | 40.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 508 | D | 37.3 | Very low | 34.2 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 89% | 0.888 | 72% | 0.723 | S | S | * | * | trans | 65.3 | 168.8 | 157.4 | -51 | -30.5 | 0 | 0 | 0 | 119.8 | ||||
| 509 | Q | 35.6 | Very low | 34 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 50% | 0.495 | 72% | 0.717 | S | S | . | * | trans | -154.9 | 140.3 | -141.3 | 169.2 | -177.9 | 21.1 | 0 | 0 | 110.7 | ||||
| 510 | D | 36.2 | Very low | 33.9 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 55% | 0.551 | 72% | 0.721 | S | S | * | * | trans | -167 | 131.9 | 171.4 | -112.3 | -15.3 | 0 | 0 | 0 | 111.5 | S652 P653 Y654 | D510-S652 CarbonylContact C-O 3.59Å; D510-S652 WeakPolarHBondContact CB-O 3.35Å; D510-P653 HydrophobicContact CB-CB 4.42Å; D510-P653 VanDerWaalsContact CG-CA 3.42Å; D510-P653 VanDerWaalsContact OD1-C 3.24Å; D510-P653 WeakPolarHBondContact OD1-CA 3.32Å; D510-P653 WeakPolarHBondContact OD1-CB 3.28Å; D510-Y654 PolarHBondContact OD1-N 2.94Å | ||
| 511 | H | 34.9 | Very low | 33.9 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 43% | 0.431 | 73% | 0.725 | S | S | . | * | trans | -139.5 | 118.2 | -174.5 | -58.7 | -142 | 0 | 0 | 0 | 115.5 | S652 P653 Y654 | H511-S652 PolarHBondContact N-O 3.15Å; H511-P653 VanDerWaalsContact C-C 3.49Å; H511-P653 CarbonylContact C-O 3.59Å; H511-P653 CarbonylContact O-C 3.6Å; H511-Y654 HydrophobicContact CB-CD1 3.93Å; H511-Y654 HydrophobicContact CB-CD2 3.6Å; H511-Y654 HydrophobicContact CB-CE1 4.23Å; H511-Y654 HydrophobicContact CB-CE2 3.9Å; H511-Y654 HydrophobicContact CB-CG 3.57Å; H511-Y654 AromaticContact CD2-CD1 3.53Å; H511-Y654 AromaticContact CD2-CG 3.78Å; H511-Y654 AromaticContact CG-CD1 3.71Å; H511-Y654 AromaticContact CG-CG 3.85Å; H511-Y654 AromaticContact ND1-CE1 3.92Å; H511-Y654 AromaticContact NE2-CD1 3.76Å; H511-Y654 WeakPolarHBondContact O-CD2 3.44Å | ||
| 512 | L | 36.6 | Very low | 33.7 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 61% | 0.607 | 72% | 0.72 | S | S | * | * | trans | -107.6 | 148.8 | 163.2 | -123 | 168.4 | 0 | 0 | 0 | 111.3 | S652 P653 | L512-S652 VanDerWaalsContact N-CA 3.3Å; L512-S652 PolarHBondContact N-OG 2.93Å; L512-P653 HydrophobicContact CD1-CG 4.2Å; L512-P653 HydrophobicContact CG-CG 4.15Å | ||
| 513 | Y | 32.5 | Very low | 33.8 | Very low | 186 Ų | 186 | 133.3 Ų | 133.3 | 73% | 0.729 | 72% | 0.722 | S | S | * | * | trans | -69 | 124.3 | 164.5 | -72.8 | -107 | 0 | 0 | 0 | 111.4 | Y654 | Y513-Y654 HydrophobicContact CE2-CE2 4.26Š| ||
| 514 | H | 30.6 | Very low | 33.6 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | -147.8 | 167.4 | 125.6 | -150.3 | 57.9 | 0 | 0 | 0 | 112.4 | |||||
| 515 | C | 26.9 | Very low | 33.4 | Very low | 70 Ų | 70 | 134.3 Ų | 134.3 | 47% | 0.473 | 72% | 0.718 | S | S | . | * | trans | -70.7 | 150.6 | -166 | -56.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 516 | H | 33.7 | Very low | 33.3 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 89% | 0.889 | 72% | 0.717 | S | S | * | * | trans | -127.7 | 129.4 | 149.7 | -92.3 | -80.8 | 0 | 0 | 0 | 110.5 | ||||
| 517 | H | 28 | Very low | 33.6 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -106.3 | 126.3 | 178.4 | -23.2 | -90.2 | 0 | 0 | 0 | 108.7 | ||||
| 518 | S | 33 | Very low | 33.5 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | -161.6 | 110.1 | 165.5 | -80.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 519 | S | 30.2 | Very low | 33.4 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | 82.8 | 100 | 76.9 | -177 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 520 | L | 34.4 | Very low | 33.5 | Very low | 178 Ų | 178 | 129 Ų | 129 | 93% | 0.932 | 72% | 0.724 | S | S | * | * | trans | -145.4 | 132.6 | 154.2 | -106.8 | 162 | 0 | 0 | 0 | 107.4 | ||||
| 521 | S | 33.4 | Very low | 33.5 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | trans | -87.4 | 155.2 | -166.1 | -170.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 522 | A | 29.3 | Very low | 33.8 | Very low | 87 Ų | 87 | 131 Ų | 131 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | trans | -69.3 | 132.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 523 | H | 35.2 | Very low | 34 | Very low | 167 Ų | 167 | 130 Ų | 130 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -157 | 134 | 142.7 | -83.9 | -67.7 | 0 | 0 | 0 | 105 | ||||
| 524 | Q | 32.7 | Very low | 34.2 | Very low | 149 Ų | 149 | 128.1 Ų | 128.1 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | cis | 122.6 | 131.4 | 20.9 | 168.4 | 165.7 | 25.9 | 0 | 0 | 107.4 | ||||
| 525 | L | 35 | Very low | 34.6 | Very low | 156 Ų | 156 | 125.9 Ų | 125.9 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | trans | 75 | 154.7 | -178 | -57.4 | 173.2 | 0 | 0 | 0 | 117.2 | ||||
| 526 | V | 34.4 | Very low | 35.2 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -170.5 | 157.2 | -41.9 | 109.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 527 | S | 37.6 | Very low | 35.5 | Very low | 84 Ų | 84 | 127.5 Ų | 127.5 | 59% | 0.587 | 76% | 0.756 | S | S | * | * | trans | 67.5 | 124.3 | 159.2 | -86.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 528 | D | 35.1 | Very low | 35.7 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | 70 | 129.8 | 122.9 | -47.2 | -25.9 | 0 | 0 | 0 | 122.1 | |||||
| 529 | G | 36 | Very low | 35.9 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | trans | 169.4 | 57.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 530 | S | 38.4 | Very low | 36.1 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -8.4 | 150 | 148.3 | -57.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 531 | T | 36.5 | Very low | 36.2 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | cis | -175.5 | 168.3 | 10.4 | 13.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 532 | S | 40.5 | Very low | 36.2 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 77.2 | 150.9 | 154 | 81.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 533 | S | 41.1 | Very low | 36.5 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | cis | -159 | 150.3 | 8.8 | -138.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 534 | L | 36.6 | Very low | 36.6 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 51.8 | 144.9 | 151.3 | -90.1 | 45.6 | 0 | 0 | 0 | 120.8 | ||||
| 535 | D | 38.1 | Very low | 37.1 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | cis | -175.5 | 171 | -26 | -126.8 | -33.9 | 0 | 0 | 0 | 110.8 | ||||
| 536 | M | 39.8 | Very low | 37.4 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | trans | 63.8 | 134.3 | 160.4 | -65.8 | -95.1 | 84.6 | 0 | 0 | 117.5 | ||||
| 537 | L | 39.8 | Very low | 37.8 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | cis | -140.5 | 170.2 | 15.1 | -111.3 | 163.7 | 0 | 0 | 0 | 112.1 | ||||
| 538 | T | 32.4 | Very low | 38.4 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | trans | -112.4 | 138.3 | -157.3 | -49 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 539 | T | 38.3 | Very low | 39.2 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 90% | 0.896 | 76% | 0.757 | S | S | * | * | trans | -151.3 | 156.2 | 141.3 | -25.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 540 | Q | 34.6 | Very low | 40.2 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | trans | -100.1 | 147.5 | -162.1 | -58.9 | 162.6 | -57.7 | 0 | 0 | 113.8 | ||||
| 541 | N | 34.7 | Very low | 41.6 | Very low | 165 Ų | 165 | 130 Ų | 130 | 88% | 0.882 | 74% | 0.735 | S | S | * | * | trans | -164.3 | 155.7 | 134.6 | -99.7 | -37.2 | 0 | 0 | 0 | 111.6 | ||||
| 542 | P | 33.8 | Very low | 43.4 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | trans | -112.7 | 118.6 | -166.3 | 36.5 | -24.7 | 0 | 0 | 0 | 114.7 | ||||
| 543 | S | 35.3 | Very low | 45 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 86% | 0.86 | 70% | 0.702 | S | S | * | * | trans | -166.9 | 94.1 | 166.3 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 544 | S | 37.9 | Very low | 46.6 | Very low | 97 Ų | 97 | 123.9 Ų | 123.9 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | trans | -125.6 | -25.7 | 174.6 | 45.2 | 0 | 0 | 0 | 0 | 114.8 | H546 | S544-H546 VanDerWaalsContact C-N 3.34Å; S544-H546 PolarHBondContact O-N 2.88Å | ||
| 545 | D | 43.2 | Very low | 48.8 | Very low | 132 Ų | 132 | 122.9 Ų | 122.9 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -2.3 | -158.4 | -51.6 | -9.7 | 0 | 0 | 0 | 113.6 | T549 | D545-T549 PolarHBondContact O-OG1 3.45Š|
| 546 | H | 41.2 | Very low | 50.8 | Low | 169 Ų | 169 | 121 Ų | 121 | 78% | 0.782 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -83 | -14.4 | -168.9 | -125.8 | -60.4 | 0 | 0 | 0 | 114.8 | S544 | S544-H546 VanDerWaalsContact C-N 3.34Å; S544-H546 PolarHBondContact O-N 2.88Å |
| 547 | L | 43.7 | Very low | 52.7 | Low | 145 Ų | 145 | 120.7 Ų | 120.7 | 76% | 0.759 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -80.6 | -44.7 | -172.6 | -134.7 | 75.8 | 0 | 0 | 0 | 112.7 | T549 S550 L551 | L547-T549 PolarHBondContact O-N 3.42Å; L547-S550 PolarHBondContact O-N 3.32Å; L547-L551 PolarHBondContact O-N 3.48Å |
| 548 | E | 48.8 | Very low | 54.9 | Low | 169 Ų | 169 | 116 Ų | 116 | 79% | 0.79 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.7 | -37 | -178.5 | -61.4 | -166.1 | 152.1 | 0 | 0 | 111.9 | S550 L551 A552 | E548-S550 VanDerWaalsContact C-N 3.32Å; E548-S550 PolarHBondContact O-N 2.92Å; E548-L551 PolarHBondContact O-N 2.93Å; E548-A552 WeakPolarHBondContact O-CB 3.3Å; E548-A552 PolarHBondContact O-N 3.13Å |
| 549 | T | 53.5 | Low | 57.4 | Low | 94 Ų | 94 | 118.4 Ų | 118.4 | 58% | 0.577 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -66.1 | -34.6 | 176.3 | -31.3 | 0 | 0 | 0 | 0 | 112.1 | D545 L547 A553 | D545-T549 PolarHBondContact O-OG1 3.45Å; L547-T549 PolarHBondContact O-N 3.42Å; T549-A553 WeakPolarHBondContact O-CB 3.24Å; T549-A553 PolarHBondContact O-N 3.35Å |
| 550 | S | 55.3 | Low | 59.5 | Low | 63 Ų | 63 | 117.4 Ų | 117.4 | 44% | 0.441 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -64.4 | -50.2 | 174.8 | -164.9 | 0 | 0 | 0 | 0 | 110.8 | L547 E548 A552 A553 D554 | L547-S550 PolarHBondContact O-N 3.32Å; E548-S550 VanDerWaalsContact C-N 3.32Å; E548-S550 PolarHBondContact O-N 2.92Å; S550-A552 VanDerWaalsContact C-N 3.29Å; S550-A552 PolarHBondContact O-N 2.99Å; S550-A553 WeakPolarHBondContact O-CB 3.5Å; S550-A553 PolarHBondContact O-N 3.5Å; S550-D554 PolarHBondContact O-N 2.95Å; S550-D554 PolarHBondContact OG-OD2 3.37Å |
| 551 | L | 69.3 | Low | 61.9 | Low | 127 Ų | 127 | 117.2 Ų | 117.2 | 67% | 0.665 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.4 | -34.9 | -177.3 | -162.5 | 149.6 | 0 | 0 | 0 | 111.9 | L547 E548 L555 | L547-L551 PolarHBondContact O-N 3.48Å; E548-L551 PolarHBondContact O-N 2.93Å; L551-L555 WeakPolarHBondContact O-CB 3.4Å; L551-L555 PolarHBondContact O-N 2.86Å |
| 552 | A | 73 | Confident | 64.1 | Low | 53 Ų | 53 | 115.5 Ų | 115.5 | 44% | 0.438 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.2 | -43.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E548 S550 L555 V556 | E548-A552 WeakPolarHBondContact O-CB 3.3Å; E548-A552 PolarHBondContact O-N 3.13Å; S550-A552 VanDerWaalsContact C-N 3.29Å; S550-A552 PolarHBondContact O-N 2.99Å; A552-L555 PolarHBondContact O-N 3.13Å; A552-V556 WeakPolarHBondContact O-CG2 3.11Å; A552-V556 PolarHBondContact O-N 2.97Å; A552-V556 VanDerWaalsContact O-N 3.08Å |
| 553 | A | 74.6 | Confident | 66.6 | Low | 50 Ų | 50 | 115.6 Ų | 115.6 | 41% | 0.413 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.4 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T549 S550 L555 V556 H557 | T549-A553 WeakPolarHBondContact O-CB 3.24Å; T549-A553 PolarHBondContact O-N 3.35Å; S550-A553 WeakPolarHBondContact O-CB 3.5Å; S550-A553 PolarHBondContact O-N 3.5Å; A553-L555 PolarHBondContact O-N 3.05Å; A553-V556 PolarHBondContact O-N 2.95Å; A553-H557 WeakPolarHBondContact O-CB 3.3Å; A553-H557 PolarHBondContact O-N 3.3Å |
| 554 | D | 74 | Confident | 69 | Low | 100 Ų | 100 | 112.1 Ų | 112.1 | 54% | 0.535 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.4 | -40.9 | 175.5 | -74.2 | -46.5 | 0 | 0 | 0 | 111.7 | S550 H557 A558 | S550-D554 PolarHBondContact O-N 2.95Å; S550-D554 PolarHBondContact OG-OD2 3.37Å; D554-H557 PolarHBondContact O-N 3.17Å; D554-A558 WeakPolarHBondContact O-CB 3.45Å; D554-A558 PolarHBondContact O-N 3.4Å |
| 555 | L | 82.8 | Confident | 71.3 | Confident | 126 Ų | 126 | 113.7 Ų | 113.7 | 66% | 0.66 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.3 | -39.3 | 176.1 | -164.2 | 74.2 | 0 | 0 | 0 | 112.1 | L551 A552 A553 K559 | L551-L555 WeakPolarHBondContact O-CB 3.4Å; L551-L555 PolarHBondContact O-N 2.86Å; A552-L555 PolarHBondContact O-N 3.13Å; A553-L555 PolarHBondContact O-N 3.05Å; L555-K559 WeakPolarHBondContact O-CB 3.31Å; L555-K559 PolarHBondContact O-N 3.21Å |
| 556 | V | 81.3 | Confident | 73.4 | Confident | 87 Ų | 87 | 110.3 Ų | 110.3 | 53% | 0.527 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.8 | -44.9 | 173.5 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | A552 A553 A558 K559 M560 | A552-V556 WeakPolarHBondContact O-CG2 3.11Å; A552-V556 PolarHBondContact O-N 2.97Å; A552-V556 VanDerWaalsContact O-N 3.08Å; A553-V556 PolarHBondContact O-N 2.95Å; V556-A558 PolarHBondContact O-N 3.49Å; V556-K559 PolarHBondContact O-N 2.89Å; V556-M560 HydrophobicContact CG1-CG 4.49Å; V556-M560 HydrophobicContact CG1-SD 4.27Å; V556-M560 WeakPolarHBondContact O-CG 3.28Å; V556-M560 PolarHBondContact O-N 2.74Å |
| 557 | H | 79.2 | Confident | 75.4 | Confident | 135 Ų | 135 | 106.8 Ų | 106.8 | 63% | 0.625 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.5 | -40.7 | 176.6 | -103.7 | -71.7 | 0 | 0 | 0 | 112.6 | A553 D554 M560 K561 | A553-H557 WeakPolarHBondContact O-CB 3.3Å; A553-H557 PolarHBondContact O-N 3.3Å; D554-H557 PolarHBondContact O-N 3.17Å; H557-M560 PolarHBondContact O-N 3.44Å; H557-K561 VanDerWaalsContact O-CB 3.31Å; H557-K561 WeakPolarHBondContact O-CB 3.29Å; H557-K561 PolarHBondContact O-N 2.87Å |
| 558 | A | 85.1 | Confident | 77.4 | Confident | 56 Ų | 56 | 105.1 Ų | 105.1 | 46% | 0.463 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.6 | -46.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D554 V556 K561 E562 | D554-A558 WeakPolarHBondContact O-CB 3.45Å; D554-A558 PolarHBondContact O-N 3.4Å; V556-A558 PolarHBondContact O-N 3.49Å; A558-K561 WeakPolarHBondContact O-CB 3.47Å; A558-K561 PolarHBondContact O-N 2.87Å; A558-E562 PolarHBondContact O-N 2.85Å |
| 559 | K | 85.3 | Confident | 79.4 | Confident | 159 Ų | 159 | 102.6 Ų | 102.6 | 69% | 0.691 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.5 | -38.2 | 179.2 | -164.8 | 171.8 | -174.7 | 176 | 0 | 112.8 | L555 V556 E562 H563 | L555-K559 WeakPolarHBondContact O-CB 3.31Å; L555-K559 PolarHBondContact O-N 3.21Å; V556-K559 PolarHBondContact O-N 2.89Å; K559-E562 PolarHBondContact O-N 3.16Å; K559-H563 PolarHBondContact O-N 3.41Å |
| 560 | M | 82.2 | Confident | 80.9 | Confident | 125 Ų | 125 | 104.3 Ų | 104.3 | 62% | 0.616 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.1 | -38.9 | 172.1 | -72.6 | -175.1 | 73.7 | 0 | 0 | 112.2 | V556 H557 H563 A564 | V556-M560 HydrophobicContact CG1-CG 4.49Å; V556-M560 HydrophobicContact CG1-SD 4.27Å; V556-M560 WeakPolarHBondContact O-CG 3.28Å; V556-M560 PolarHBondContact O-N 2.74Å; H557-M560 PolarHBondContact O-N 3.44Å; M560-H563 PolarHBondContact O-N 2.85Å; M560-A564 WeakPolarHBondContact O-CB 3.28Å; M560-A564 PolarHBondContact O-N 3.1Å |
| 561 | K | 86.2 | Confident | 82.5 | Confident | 168 Ų | 168 | 106.6 Ų | 106.6 | 73% | 0.73 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.7 | -36.4 | 176.8 | -173 | 177 | -178.1 | 178.2 | 0 | 112.2 | H557 A558 K565 | H557-K561 VanDerWaalsContact O-CB 3.31Å; H557-K561 WeakPolarHBondContact O-CB 3.29Å; H557-K561 PolarHBondContact O-N 2.87Å; A558-K561 WeakPolarHBondContact O-CB 3.47Å; A558-K561 PolarHBondContact O-N 2.87Å; K561-K565 PolarHBondContact O-N 2.89Å; K561-K565 VanDerWaalsContact O-N 3.14Å |
| 562 | E | 80.9 | Confident | 83.2 | Confident | 128 Ų | 128 | 107 Ų | 107 | 60% | 0.598 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.9 | -47.7 | 173.2 | -172 | 163.9 | -120.2 | 0 | 0 | 111.9 | A558 K559 A564 K565 D566 | A558-E562 PolarHBondContact O-N 2.85Å; K559-E562 PolarHBondContact O-N 3.16Å; E562-A564 VanDerWaalsContact C-N 3.29Å; E562-A564 PolarHBondContact O-N 3.2Å; E562-K565 WeakPolarHBondContact O-CA 3.31Å; E562-K565 VanDerWaalsContact O-CB 3.29Å; E562-K565 WeakPolarHBondContact O-CB 3.49Å; E562-K565 PolarHBondContact O-N 3.47Å; E562-D566 PolarHBondContact O-N 3.12Å |
| 563 | H | 85.1 | Confident | 83.9 | Confident | 122 Ų | 122 | 112.6 Ų | 112.6 | 57% | 0.565 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59 | -38.3 | 175.6 | -171.4 | -84.7 | 0 | 0 | 0 | 112.6 | K559 M560 D566 N567 | K559-H563 PolarHBondContact O-N 3.41Å; M560-H563 PolarHBondContact O-N 2.85Å; H563-D566 PolarHBondContact O-N 2.83Å; H563-N567 WeakPolarHBondContact O-CB 3.29Å; H563-N567 PolarHBondContact O-N 3.37Å |
| 564 | A | 86.5 | Confident | 84.3 | Confident | 49 Ų | 49 | 112.3 Ų | 112.3 | 41% | 0.405 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65 | -38.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M560 E562 D566 M568 | M560-A564 WeakPolarHBondContact O-CB 3.28Å; M560-A564 PolarHBondContact O-N 3.1Å; E562-A564 VanDerWaalsContact C-N 3.29Å; E562-A564 PolarHBondContact O-N 3.2Å; A564-D566 VanDerWaalsContact C-N 3.34Å; A564-M568 PolarHBondContact O-N 3.23Å; A564-M568 VanDerWaalsContact O-N 3.09Å |
| 565 | K | 86.8 | Confident | 84.6 | Confident | 130 Ų | 130 | 112.4 Ų | 112.4 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.6 | -40 | 175.4 | -169.9 | -178.4 | -177.9 | -177.9 | 0 | 111.4 | K561 E562 M568 K569 | K561-K565 PolarHBondContact O-N 2.89Å; K561-K565 VanDerWaalsContact O-N 3.14Å; E562-K565 WeakPolarHBondContact O-CA 3.31Å; E562-K565 VanDerWaalsContact O-CB 3.29Å; E562-K565 WeakPolarHBondContact O-CB 3.49Å; E562-K565 PolarHBondContact O-N 3.47Å; K565-M568 PolarHBondContact O-N 2.98Å; K565-K569 WeakPolarHBondContact O-CG 3.32Å; K565-K569 PolarHBondContact O-N 3.17Å; K565-K569 VanDerWaalsContact O-N 3.14Å |
| 566 | D | 86.6 | Confident | 84.5 | Confident | 61 Ų | 61 | 109.3 Ų | 109.3 | 33% | 0.326 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -76.4 | -38.5 | 179.4 | -73.6 | -7.4 | 0 | 0 | 0 | 112.7 | E562 H563 A564 M568 K569 H570 | E562-D566 PolarHBondContact O-N 3.12Å; H563-D566 PolarHBondContact O-N 2.83Å; A564-D566 VanDerWaalsContact C-N 3.34Å; D566-M568 PolarHBondContact O-N 3.01Å; D566-K569 WeakPolarHBondContact O-CB 3.43Å; D566-K569 PolarHBondContact O-N 2.96Å; D566-K569 WeakPolarHBondContact OD1-CD 3.42Å; D566-K569 WeakPolarHBondContact OD1-CE 3.31Å; D566-K569 IonicContact OD1-NZ 3.17Å; D566-K569 PolarHBondContact OD1-NZ 2.86Å; D566-H570 PolarHBondContact O-CD2 3.44Å; D566-H570 VanDerWaalsContact O-CD2 3.28Å; D566-H570 PolarHBondContact O-N 3.5Å |
| 567 | N | 84.5 | Confident | 84.4 | Confident | 96 Ų | 96 | 111 Ų | 111 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -56.4 | -38.9 | 168.7 | -95.1 | -0.5 | 0 | 0 | 0 | 112.1 | H563 H570 L571 | H563-N567 WeakPolarHBondContact O-CB 3.29Å; H563-N567 PolarHBondContact O-N 3.37Å; N567-H570 PolarHBondContact O-N 2.92Å; N567-L571 WeakPolarHBondContact O-CB 3.25Å; N567-L571 PolarHBondContact O-N 3.5Å |
| 568 | M | 85.1 | Confident | 84 | Confident | 109 Ų | 109 | 109 Ų | 109 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 173.2 | -75.2 | -173.7 | -73.4 | 0 | 0 | 112.6 | A564 K565 D566 H570 L571 F572 | A564-M568 PolarHBondContact O-N 3.23Å; A564-M568 VanDerWaalsContact O-N 3.09Å; K565-M568 PolarHBondContact O-N 2.98Å; D566-M568 PolarHBondContact O-N 3.01Å; M568-H570 VanDerWaalsContact C-N 3.32Å; M568-H570 PolarHBondContact O-N 2.81Å; M568-L571 PolarHBondContact O-N 3.29Å; M568-F572 WeakPolarHBondContact O-CD2 3.41Å; M568-F572 PolarHBondContact O-N 2.84Å |
| 569 | K | 89.6 | Confident | 82.9 | Confident | 117 Ų | 117 | 112.8 Ų | 112.8 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 173.2 | -65 | 172.2 | -168.3 | 165.6 | 0 | 111.8 | K565 D566 R573 | K565-K569 WeakPolarHBondContact O-CG 3.32Å; K565-K569 PolarHBondContact O-N 3.17Å; K565-K569 VanDerWaalsContact O-N 3.14Å; D566-K569 WeakPolarHBondContact O-CB 3.43Å; D566-K569 PolarHBondContact O-N 2.96Å; D566-K569 WeakPolarHBondContact OD1-CD 3.42Å; D566-K569 WeakPolarHBondContact OD1-CE 3.31Å; D566-K569 IonicContact OD1-NZ 3.17Å; D566-K569 PolarHBondContact OD1-NZ 2.86Å; K569-R573 WeakPolarHBondContact O-CB 3.43Å; K569-R573 PolarHBondContact O-N 3.34Å |
| 570 | H | 86.7 | Confident | 81.6 | Confident | 129 Ų | 129 | 111 Ų | 111 | 60% | 0.597 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.6 | -41.3 | 176.8 | -83.2 | -79.2 | 0 | 0 | 0 | 111.8 | D566 N567 M568 R573 A574 | D566-H570 PolarHBondContact O-CD2 3.44Å; D566-H570 VanDerWaalsContact O-CD2 3.28Å; D566-H570 PolarHBondContact O-N 3.5Å; N567-H570 PolarHBondContact O-N 2.92Å; M568-H570 VanDerWaalsContact C-N 3.32Å; M568-H570 PolarHBondContact O-N 2.81Å; H570-R573 PolarHBondContact O-N 3.24Å; H570-A574 WeakPolarHBondContact O-CB 3.41Å; H570-A574 PolarHBondContact O-N 2.8Å |
| 571 | L | 88.1 | Confident | 80.2 | Confident | 111 Ų | 111 | 110.2 Ų | 110.2 | 58% | 0.581 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63 | -45.8 | 175.9 | -168.6 | 71.1 | 0 | 0 | 0 | 111.8 | N567 M568 R573 A574 M575 | N567-L571 WeakPolarHBondContact O-CB 3.25Å; N567-L571 PolarHBondContact O-N 3.5Å; M568-L571 PolarHBondContact O-N 3.29Å; L571-R573 PolarHBondContact O-N 3.1Å; L571-A574 PolarHBondContact O-N 3Å; L571-M575 HydrophobicContact CG-SD 4.46Å; L571-M575 WeakPolarHBondContact O-CB 3.22Å; L571-M575 WeakPolarHBondContact O-CG 3.07Å; L571-M575 PolarHBondContact O-N 3.38Å |
| 572 | F | 84.7 | Confident | 78.4 | Confident | 135 Ų | 135 | 110.1 Ų | 110.1 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.4 | -44.9 | 174.1 | -88.1 | -71.7 | 0 | 0 | 0 | 112 | M568 A574 M575 D576 | M568-F572 WeakPolarHBondContact O-CD2 3.41Å; M568-F572 PolarHBondContact O-N 2.84Å; F572-A574 VanDerWaalsContact C-N 3.34Å; F572-A574 PolarHBondContact O-N 3.33Å; F572-M575 PolarHBondContact O-N 2.89Å; F572-D576 PolarHBondContact O-N 2.85Å |
| 573 | R | 86.7 | Confident | 76.5 | Confident | 172 Ų | 172 | 108.8 Ų | 108.8 | 65% | 0.649 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.5 | -40.4 | 177.1 | -172.8 | 176.3 | -64.8 | -152.8 | -0.8 | 112.4 | K569 H570 L571 D576 Q577 | K569-R573 WeakPolarHBondContact O-CB 3.43Å; K569-R573 PolarHBondContact O-N 3.34Å; H570-R573 PolarHBondContact O-N 3.24Å; L571-R573 PolarHBondContact O-N 3.1Å; R573-D576 PolarHBondContact O-N 2.9Å; R573-Q577 WeakPolarHBondContact O-CB 3.35Å; R573-Q577 VanDerWaalsContact O-CG 3.29Å; R573-Q577 WeakPolarHBondContact O-CG 3.38Å; R573-Q577 PolarHBondContact O-N 3.15Å |
| 574 | A | 82.7 | Confident | 74 | Confident | 43 Ų | 43 | 110.8 Ų | 110.8 | 36% | 0.355 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.2 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H570 L571 F572 D576 Q577 V578 | H570-A574 WeakPolarHBondContact O-CB 3.41Å; H570-A574 PolarHBondContact O-N 2.8Å; L571-A574 PolarHBondContact O-N 3Å; F572-A574 VanDerWaalsContact C-N 3.34Å; F572-A574 PolarHBondContact O-N 3.33Å; A574-D576 VanDerWaalsContact C-N 3.32Å; A574-D576 PolarHBondContact O-N 3.39Å; A574-Q577 PolarHBondContact O-N 2.79Å; A574-V578 WeakPolarHBondContact O-CG2 3.5Å; A574-V578 PolarHBondContact O-N 3.44Å |
| 575 | M | 81.7 | Confident | 71.4 | Confident | 102 Ų | 102 | 113.4 Ų | 113.4 | 50% | 0.502 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.1 | -33.6 | 175.1 | -74.5 | -177.4 | 67.8 | 0 | 0 | 113 | L571 F572 R579 | L571-M575 HydrophobicContact CG-SD 4.46Å; L571-M575 WeakPolarHBondContact O-CB 3.22Å; L571-M575 WeakPolarHBondContact O-CG 3.07Å; L571-M575 PolarHBondContact O-N 3.38Å; F572-M575 PolarHBondContact O-N 2.89Å; M575-R579 WeakPolarHBondContact O-CB 3.37Å; M575-R579 PolarHBondContact O-N 2.85Å; M575-R579 PolarHBondContact O-NH2 3.38Å |
| 576 | D | 80.8 | Confident | 68.8 | Low | 62 Ų | 62 | 114.6 Ų | 114.6 | 33% | 0.332 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.2 | -44.5 | 172.8 | -72.5 | -18 | 0 | 0 | 0 | 110.7 | F572 R573 A574 V578 R579 H580 | F572-D576 PolarHBondContact O-N 2.85Å; R573-D576 PolarHBondContact O-N 2.9Å; A574-D576 VanDerWaalsContact C-N 3.32Å; A574-D576 PolarHBondContact O-N 3.39Å; D576-V578 PolarHBondContact O-N 2.91Å; D576-R579 WeakPolarHBondContact O-CA 3.42Å; D576-R579 WeakPolarHBondContact O-CB 3.46Å; D576-R579 PolarHBondContact O-N 3.06Å; D576-R579 IonicContact OD1-CZ 2.68Å; D576-R579 IonicContact OD1-NH1 3.11Å; D576-R579 PolarHBondContact OD1-NH1 3.37Å; D576-R579 IonicContact OD1-NH2 2.65Å; D576-R579 PolarHBondContact OD1-NH2 3.42Å; D576-H580 PolarHBondContact O-N 2.87Å; D576-H580 PolarHBondContact O-ND1 3Å |
| 577 | Q | 77.3 | Confident | 66.5 | Low | 123 Ų | 123 | 119.3 Ų | 119.3 | 58% | 0.575 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -54.9 | -48.3 | 174.2 | -77.1 | 170.9 | -24.2 | 0 | 0 | 112 | R573 A574 R579 H580 T581 | R573-Q577 WeakPolarHBondContact O-CB 3.35Å; R573-Q577 VanDerWaalsContact O-CG 3.29Å; R573-Q577 WeakPolarHBondContact O-CG 3.38Å; R573-Q577 PolarHBondContact O-N 3.15Å; A574-Q577 PolarHBondContact O-N 2.79Å; Q577-R579 VanDerWaalsContact C-N 3.27Å; Q577-R579 PolarHBondContact O-N 2.87Å; Q577-H580 PolarHBondContact O-N 3.47Å; Q577-H580 VanDerWaalsContact O-N 3.16Å; Q577-T581 PolarHBondContact O-N 3.32Å; Q577-T581 PolarHBondContact O-OG1 3.08Å |
| 578 | V | 71.1 | Confident | 64.4 | Low | 93 Ų | 93 | 120.7 Ų | 120.7 | 56% | 0.564 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61.4 | -33.8 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 112.2 | A574 D576 T581 | A574-V578 WeakPolarHBondContact O-CG2 3.5Å; A574-V578 PolarHBondContact O-N 3.44Å; D576-V578 PolarHBondContact O-N 2.91Å; V578-T581 WeakPolarHBondContact CA-OG1 3.27Å; V578-T581 PolarHBondContact O-OG1 3.38Å |
| 579 | R | 61.8 | Low | 62 | Low | 135 Ų | 135 | 121.6 Ų | 121.6 | 51% | 0.509 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.5 | -37.2 | 176 | -153 | 180 | -49.6 | 114.2 | 25.2 | 112.1 | M575 D576 Q577 H582 | M575-R579 WeakPolarHBondContact O-CB 3.37Å; M575-R579 PolarHBondContact O-N 2.85Å; M575-R579 PolarHBondContact O-NH2 3.38Å; D576-R579 WeakPolarHBondContact O-CA 3.42Å; D576-R579 WeakPolarHBondContact O-CB 3.46Å; D576-R579 PolarHBondContact O-N 3.06Å; D576-R579 IonicContact OD1-CZ 2.68Å; D576-R579 IonicContact OD1-NH1 3.11Å; D576-R579 PolarHBondContact OD1-NH1 3.37Å; D576-R579 IonicContact OD1-NH2 2.65Å; D576-R579 PolarHBondContact OD1-NH2 3.42Å; Q577-R579 VanDerWaalsContact C-N 3.27Å; Q577-R579 PolarHBondContact O-N 2.87Å; R579-H582 PolarHBondContact O-N 2.84Å |
| 580 | H | 59.3 | Low | 59.5 | Low | 122 Ų | 122 | 122.7 Ų | 122.7 | 57% | 0.565 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -75.1 | -27.7 | 178.7 | -68.8 | 59.4 | 0 | 0 | 0 | 112.3 | D576 Q577 H582 T583 | D576-H580 PolarHBondContact O-N 2.87Å; D576-H580 PolarHBondContact O-ND1 3Å; Q577-H580 PolarHBondContact O-N 3.47Å; Q577-H580 VanDerWaalsContact O-N 3.16Å; H580-H582 PolarHBondContact O-N 3.5Å; H580-T583 PolarHBondContact O-N 3.4Å; H580-T583 PolarHBondContact O-OG1 3.39Å |
| 581 | T | 53.2 | Low | 57 | Low | 107 Ų | 107 | 122.4 Ų | 122.4 | 66% | 0.656 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -9.4 | 172 | 46.8 | 0 | 0 | 0 | 0 | 114.4 | Q577 V578 | Q577-T581 PolarHBondContact O-N 3.32Å; Q577-T581 PolarHBondContact O-OG1 3.08Å; V578-T581 WeakPolarHBondContact CA-OG1 3.27Å; V578-T581 PolarHBondContact O-OG1 3.38Å |
| 582 | H | 47.1 | Very low | 54.5 | Low | 167 Ų | 167 | 122.3 Ų | 122.3 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 2.1 | 174.4 | -92.7 | -73.8 | 0 | 0 | 0 | 114.2 | R579 H580 | R579-H582 PolarHBondContact O-N 2.84Å; H580-H582 PolarHBondContact O-N 3.5Å |
| 583 | T | 40.7 | Very low | 51.9 | Low | 100 Ų | 100 | 122 Ų | 122 | 61% | 0.613 | 67% | 0.67 | S | S | * | * | trans | -123.2 | 58.9 | -175.9 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | H580 | H580-T583 PolarHBondContact O-N 3.4Å; H580-T583 PolarHBondContact O-OG1 3.39Å | ||
| 584 | L | 33 | Very low | 49.5 | Very low | 163 Ų | 163 | 118.8 Ų | 118.8 | 85% | 0.853 | 68% | 0.68 | S | S | * | * | trans | -146.3 | 53.6 | -176 | -111.2 | 166.2 | 0 | 0 | 0 | 113.1 | ||||
| 585 | S | 32.9 | Very low | 47 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | trans | -159.6 | 159 | 161.3 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 586 | N | 32.4 | Very low | 44.7 | Very low | 154 Ų | 154 | 123.3 Ų | 123.3 | 82% | 0.824 | 71% | 0.709 | S | S | * | * | trans | 88.1 | 62.9 | 175.3 | -49.4 | -8.5 | 0 | 0 | 0 | 116 | ||||
| 587 | D | 37.5 | Very low | 42.3 | Very low | 161 Ų | 161 | 126 Ų | 126 | 86% | 0.861 | 73% | 0.729 | S | S | * | * | trans | -121.4 | 134.3 | 151.3 | -124.1 | -25.4 | 0 | 0 | 0 | 107.6 | ||||
| 588 | P | 40.7 | Very low | 40.4 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | trans | -83.2 | 151.6 | -167.4 | 31.7 | -34.8 | 0 | 0 | 0 | 114.8 | ||||
| 589 | T | 35 | Very low | 38.6 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | -74.8 | 144 | -164.9 | -31.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 590 | T | 37.2 | Very low | 37.2 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | -122.7 | 130.8 | 145.6 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 591 | T | 32.5 | Very low | 36.1 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -75.1 | 169.2 | 179.4 | 44.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 592 | P | 37.1 | Very low | 35.3 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | cis | -149.9 | 163.4 | 29.7 | 42.1 | -20.4 | 0 | 0 | 0 | 121.1 | ||||
| 593 | T | 29 | Very low | 35 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 47.5 | 115.3 | 137.8 | -52.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 594 | A | 36.6 | Very low | 34.8 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | -160.4 | 147 | 129.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 595 | T | 30.7 | Very low | 34.9 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -106.1 | 158.2 | -162.2 | -37.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 596 | T | 32.7 | Very low | 34.8 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | trans | 104.9 | 100.7 | 148.4 | -35.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 597 | T | 30.5 | Very low | 34.6 | Very low | 120 Ų | 120 | 129 Ų | 129 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | 29.3 | 131.7 | 117.4 | -24.9 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 598 | I | 36.5 | Very low | 34.2 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | -175.9 | 141.8 | 89.4 | -84.9 | 158.9 | 0 | 0 | 0 | 112.2 | |||||
| 599 | N | 35 | Very low | 33.6 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | 43.2 | 119.1 | 158.3 | -62.4 | 0.8 | 0 | 0 | 0 | 124.3 | ||||
| 600 | F | 32.6 | Very low | 33.2 | Very low | 184 Ų | 184 | 132 Ų | 132 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | 19.2 | 131.9 | 111 | -56.8 | -75.1 | 0 | 0 | 0 | 117.8 | |||||
| 601 | N | 35.2 | Very low | 32.8 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | -178.7 | 177.7 | 68.8 | -124 | 1.4 | 0 | 0 | 0 | 113.3 | |||||
| 602 | N | 37.3 | Very low | 32.6 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | trans | 86.9 | 104 | 163.6 | -70.7 | 48.7 | 0 | 0 | 0 | 121.4 | ||||
| 603 | D | 39.3 | Very low | 32.3 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | 75.1 | 119 | 119.7 | -44.4 | -22.3 | 0 | 0 | 0 | 123.5 | |||||
| 604 | D | 37.5 | Very low | 32.4 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | 50.5 | 115.5 | 132.7 | -61.5 | -2.5 | 0 | 0 | 0 | 119.9 | ||||
| 605 | N | 34 | Very low | 32.2 | Very low | 152 Ų | 152 | 134.9 Ų | 134.9 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | -174.6 | 165.7 | 56.6 | -126.3 | -54.2 | 0 | 0 | 0 | 114.5 | |||||
| 606 | S | 31 | Very low | 32.3 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | 64.2 | 120.9 | 158.6 | -166.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 607 | S | 28.3 | Very low | 32.4 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | trans | 72 | 123.7 | 143.4 | 58.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 608 | H | 30.1 | Very low | 32.6 | Very low | 166 Ų | 166 | 135 Ų | 135 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | 80.3 | 120.8 | 157.2 | -62.5 | -10.4 | 0 | 0 | 0 | 119.7 | ||||
| 609 | N | 28.1 | Very low | 32.6 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | 54 | 74.3 | 134.9 | -53.7 | -11.7 | 0 | 0 | 0 | 118.8 | ||||
| 610 | I | 26.6 | Very low | 32.5 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | trans | -168.8 | 153.1 | 152.2 | -106 | 146.7 | 0 | 0 | 0 | 108.5 | ||||
| 611 | T | 28.5 | Very low | 32.7 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | cis | 176.7 | 162.3 | -28.4 | -95.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 612 | L | 28.4 | Very low | 32.6 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | trans | 74.7 | 165.2 | 160 | -95.7 | 169.4 | 0 | 0 | 0 | 120.7 | ||||
| 613 | I | 29.7 | Very low | 32.6 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | trans | 74.1 | 134.5 | 169.3 | -58.4 | 132.2 | 0 | 0 | 0 | 113 | ||||
| 614 | E | 31.5 | Very low | 32.4 | Very low | 169 Ų | 169 | 130 Ų | 130 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | cis | -137.1 | 126 | 23.4 | -157.3 | 139.5 | -143.6 | 0 | 0 | 116.4 | ||||
| 615 | S | 32.5 | Very low | 32.2 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | 15.6 | 128.2 | 137.2 | -45.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 616 | G | 32.8 | Very low | 32.1 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | trans | 109.1 | 159.3 | 131.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 617 | L | 35.5 | Very low | 32.4 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | cis | -165.2 | 176.8 | -8.6 | -117 | 174.4 | 0 | 0 | 0 | 110.7 | ||||
| 618 | E | 34.9 | Very low | 32.6 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | trans | 80.4 | 135.6 | 162.9 | -37.8 | -46.5 | 176.4 | 0 | 0 | 125.2 | ||||
| 619 | D | 36.7 | Very low | 32.8 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | 85.5 | 90.1 | 141.5 | -67.3 | -9.6 | 0 | 0 | 0 | 124.7 | ||||
| 620 | T | 32.2 | Very low | 33.3 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -50 | 155 | 153.3 | 59.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 621 | V | 36.3 | Very low | 33.6 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | -144.7 | 136.1 | 126.6 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 622 | S | 33.8 | Very low | 34.1 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -105.3 | 156.3 | 174.3 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 623 | S | 37.5 | Very low | 34.3 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 88% | 0.881 | 78% | 0.776 | S | S | * | * | trans | -152.2 | 154.9 | 143.9 | -160.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 624 | S | 34.3 | Very low | 34.9 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -136.4 | 162.5 | -165.4 | 60.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 625 | G | 33.6 | Very low | 34.9 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | -146.9 | 83.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 626 | F | 32.5 | Very low | 35.6 | Very low | 196 Ų | 196 | 125.9 Ų | 125.9 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -92.2 | 136.3 | 173.5 | -97.2 | -86.5 | 0 | 0 | 0 | 111.1 | ||||
| 627 | V | 37.6 | Very low | 35.8 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -130.9 | 136.4 | 153.3 | 177.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 628 | S | 32.2 | Very low | 35.9 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -98.9 | 149.6 | -175.6 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 629 | G | 34.6 | Very low | 35.8 | Very low | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -167.3 | 67.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 630 | S | 37.7 | Very low | 35.6 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | 36.2 | 119.8 | 149.7 | -51.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 631 | E | 33.6 | Very low | 35.6 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -66.8 | 170.2 | 158.2 | -131.3 | -168.8 | -145.4 | 0 | 0 | 112.1 | ||||
| 632 | P | 38.5 | Very low | 35.4 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | -150.5 | 161.3 | 64.3 | 41 | -20.8 | 0 | 0 | 0 | 119.4 | |||||
| 633 | S | 33.3 | Very low | 35.4 | Very low | 87 Ų | 87 | 141.1 Ų | 141.1 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | trans | 33 | 129.7 | 137.1 | -163 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 634 | D | 40.9 | Very low | 35 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | -171.9 | 132.1 | 103.6 | -101.1 | 3.1 | 0 | 0 | 0 | 115.2 | |||||
| 635 | N | 31.7 | Very low | 35 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -163.1 | 121.6 | 169.9 | -173.7 | 3 | 0 | 0 | 0 | 112.5 | ||||
| 636 | P | 48.2 | Very low | 34.8 | Very low | 119 Ų | 119 | 147 Ų | 147 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -94.8 | 130.9 | -175.3 | 34.2 | -33.3 | 0 | 0 | 0 | 116.4 | ||||
| 637 | H | 35.7 | Very low | 35 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | -51.7 | 154.2 | 177.7 | -65.8 | -66.1 | 0 | 0 | 0 | 119.1 | ||||
| 638 | K | 37.9 | Very low | 34.7 | Very low | 195 Ų | 195 | 141.2 Ų | 141.2 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | -167.6 | 120 | 113.1 | -93.1 | 143.1 | -171.5 | 172.9 | 0 | 109.1 | |||||
| 639 | Q | 33.8 | Very low | 34.8 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | 50.2 | 134.9 | 75.3 | -63.1 | -163.7 | 8.8 | 0 | 0 | 113.1 | |||||
| 640 | R | 32.3 | Very low | 34.7 | Very low | 193 Ų | 193 | 145 Ų | 145 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | -166.9 | 121.6 | 51.3 | -178.3 | 86.2 | -170 | -107.8 | -1.7 | 113.8 | |||||
| 641 | F | 31.9 | Very low | 34.5 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 74% | 0.737 | 77% | 0.767 | S | S | * | * | trans | 62 | 140.1 | 147.7 | -75.3 | -122 | 0 | 0 | 0 | 123 | ||||
| 642 | V | 31.1 | Very low | 34.6 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | -108.9 | 140.2 | 155.7 | 172 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 643 | K | 33.6 | Very low | 34.4 | Very low | 193 Ų | 193 | 134.9 Ų | 134.9 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | trans | -156.8 | 155 | 149 | -153.1 | 150.3 | -175 | 174.9 | 0 | 112.6 | ||||
| 644 | S | 30.5 | Very low | 34.3 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | trans | -70.4 | 169 | 174.7 | 48.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 645 | E | 33.4 | Very low | 33.8 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | cis | -160.4 | 153.3 | 47.6 | -72.8 | 174.6 | 134.4 | 0 | 0 | 114.7 | ||||
| 646 | Q | 29.5 | Very low | 33.9 | Very low | 174 Ų | 174 | 131.6 Ų | 131.6 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | trans | 42.8 | 109.2 | 133.9 | -156.7 | 178.5 | 75.2 | 0 | 0 | 121.1 | ||||
| 647 | T | 36.1 | Very low | 33 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | 176.6 | 148.7 | 113.6 | 29.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 648 | S | 33.2 | Very low | 33.1 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | trans | -26.4 | 145.2 | 162.4 | 48 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 649 | N | 33.9 | Very low | 32.9 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | cis | -163.4 | 169.4 | 43.1 | -113.8 | -17.7 | 0 | 0 | 0 | 115.1 | ||||
| 650 | S | 31.6 | Very low | 32.9 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 71% | 0.711 | S | S | * | * | trans | -36.7 | 142.4 | 172.6 | 53.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 651 | G | 33.8 | Very low | 33.2 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 78% | 0.784 | 72% | 0.715 | S | S | * | * | trans | -178.9 | 58.3 | 174 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 652 | S | 34.8 | Very low | 33.2 | Very low | 60 Ų | 60 | 127.4 Ų | 127.4 | 42% | 0.42 | 71% | 0.713 | S | S | . | * | trans | 0.5 | 134.3 | 145.2 | -80.9 | 0 | 0 | 0 | 0 | 123.5 | D510 H511 L512 | D510-S652 CarbonylContact C-O 3.59Å; D510-S652 WeakPolarHBondContact CB-O 3.35Å; H511-S652 PolarHBondContact N-O 3.15Å; L512-S652 VanDerWaalsContact N-CA 3.3Å; L512-S652 PolarHBondContact N-OG 2.93Å | ||
| 653 | P | 35.1 | Very low | 33.1 | Very low | 66 Ų | 66 | 130.3 Ų | 130.3 | 43% | 0.429 | 71% | 0.714 | S | S | . | * | trans | -130.6 | 132.9 | 176.3 | 40.9 | -23.7 | 0 | 0 | 0 | 122 | D510 H511 L512 | D510-P653 HydrophobicContact CB-CB 4.42Å; D510-P653 VanDerWaalsContact CG-CA 3.42Å; D510-P653 VanDerWaalsContact OD1-C 3.24Å; D510-P653 WeakPolarHBondContact OD1-CA 3.32Å; D510-P653 WeakPolarHBondContact OD1-CB 3.28Å; H511-P653 VanDerWaalsContact C-C 3.49Å; H511-P653 CarbonylContact C-O 3.59Å; H511-P653 CarbonylContact O-C 3.6Å; L512-P653 HydrophobicContact CD1-CG 4.2Å; L512-P653 HydrophobicContact CG-CG 4.15Å | ||
| 654 | Y | 31 | Very low | 33.4 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 38% | 0.384 | 71% | 0.714 | S | S | . | * | trans | -143.5 | 135.2 | 178.8 | -112.9 | -154.3 | 0 | 0 | 0 | 111.1 | D510 H511 Y513 | D510-Y654 PolarHBondContact OD1-N 2.94Å; H511-Y654 HydrophobicContact CB-CD1 3.93Å; H511-Y654 HydrophobicContact CB-CD2 3.6Å; H511-Y654 HydrophobicContact CB-CE1 4.23Å; H511-Y654 HydrophobicContact CB-CE2 3.9Å; H511-Y654 HydrophobicContact CB-CG 3.57Å; H511-Y654 AromaticContact CD2-CD1 3.53Å; H511-Y654 AromaticContact CD2-CG 3.78Å; H511-Y654 AromaticContact CG-CD1 3.71Å; H511-Y654 AromaticContact CG-CG 3.85Å; H511-Y654 AromaticContact ND1-CE1 3.92Å; H511-Y654 AromaticContact NE2-CD1 3.76Å; H511-Y654 WeakPolarHBondContact O-CD2 3.44Å; Y513-Y654 HydrophobicContact CE2-CE2 4.26Å | ||
| 655 | S | 30.1 | Very low | 33.7 | Very low | 82 Ų | 82 | 127.3 Ų | 127.3 | 57% | 0.573 | 71% | 0.711 | S | S | * | * | trans | 66.5 | 93.5 | 154.6 | -175 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 656 | T | 34.9 | Very low | 34 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | trans | -141.2 | 140.1 | 130.3 | -79.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 657 | R | 28.8 | Very low | 34.6 | Very low | 205 Ų | 205 | 122.4 Ų | 122.4 | 77% | 0.774 | 70% | 0.701 | S | S | * | * | trans | -119.4 | 116.9 | -169.4 | -178.2 | -172.3 | -169.2 | -137.1 | 7.1 | 109.5 | ||||
| 658 | P | 37.8 | Very low | 34.7 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 75% | 0.747 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 139.2 | 171.5 | -21.1 | 33.3 | 0 | 0 | 0 | 110.8 | ||
| 659 | F | 33.3 | Very low | 35.1 | Very low | 203 Ų | 203 | 125.1 Ų | 125.1 | 89% | 0.89 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 139.3 | 178.7 | -90.9 | -108.6 | 0 | 0 | 0 | 111.7 | ||
| 660 | I | 34.4 | Very low | 35.7 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 60% | 0.595 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -85 | 129.6 | 168.6 | -64.2 | 167.3 | 0 | 0 | 0 | 107.7 | D662 | I660-D662 PolarHBondContact O-N 2.97Š|
| 661 | P | 38.8 | Very low | 36.4 | Very low | 122 Ų | 122 | 118.8 Ų | 118.8 | 79% | 0.792 | 66% | 0.658 | S | S | * | * | trans | -76.6 | 111.9 | 155.8 | 1.3 | 16.9 | 0 | 0 | 0 | 107.9 | ||||
| 662 | D | 30.7 | Very low | 37.2 | Very low | 130 Ų | 130 | 117.1 Ų | 117.1 | 70% | 0.695 | 64% | 0.636 | S | S | * | * | trans | -64.3 | 173.4 | 171.7 | -74.4 | -55.3 | 0 | 0 | 0 | 111.8 | I660 | I660-D662 PolarHBondContact O-N 2.97Š| ||
| 663 | F | 30.8 | Very low | 38.3 | Very low | 202 Ų | 202 | 120.2 Ų | 120.2 | 89% | 0.886 | 64% | 0.644 | S | S | * | * | trans | 81.5 | 63.3 | 175.8 | -54.5 | -84 | 0 | 0 | 0 | 118.9 | ||||
| 664 | V | 38.5 | Very low | 39.9 | Very low | 139 Ų | 139 | 125.8 Ų | 125.8 | 84% | 0.842 | 66% | 0.657 | S | S | * | * | -141.9 | 133.4 | 123.4 | -176.5 | 0 | 0 | 0 | 0 | 109 | |||||
| 665 | S | 37.3 | Very low | 41.9 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 56% | 0.559 | 66% | 0.664 | S | S | * | * | trans | -71.7 | 137.8 | -175.1 | -50.7 | 0 | 0 | 0 | 0 | 113.5 | I667 | S665-I667 PolarHBondContact O-N 2.94Š| ||
| 666 | P | 39.5 | Very low | 43.8 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -11.6 | -179.8 | -27.5 | 35.6 | 0 | 0 | 0 | 116.7 | H668 | P666-H668 VanDerWaalsContact C-N 3.3Å; P666-H668 PolarHBondContact O-N 3.35Å |
| 667 | I | 41.2 | Very low | 45.8 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 67% | 0.667 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -63.7 | -31.9 | -173 | -60.1 | 171.5 | 0 | 0 | 0 | 112.2 | S665 H671 | S665-I667 PolarHBondContact O-N 2.94Å; I667-H671 WeakPolarHBondContact O-CB 3.14Å; I667-H671 PolarHBondContact O-N 3Å |
| 668 | H | 39.8 | Very low | 48 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 69% | 0.69 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76.4 | -32.5 | -175 | -101.1 | -93.2 | 0 | 0 | 0 | 114.5 | P666 A672 | P666-H668 VanDerWaalsContact C-N 3.3Å; P666-H668 PolarHBondContact O-N 3.35Å; H668-A672 PolarHBondContact O-N 3.45Å |
| 669 | L | 41 | Very low | 50.1 | Low | 129 Ų | 129 | 128.3 Ų | 128.3 | 68% | 0.675 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75.9 | -46.7 | -178.4 | -168.9 | 61.5 | 0 | 0 | 0 | 111.2 | H671 A672 E673 | L669-H671 PolarHBondContact O-N 3.43Å; L669-A672 WeakPolarHBondContact O-CB 3.45Å; L669-A672 PolarHBondContact O-N 3.4Å; L669-E673 PolarHBondContact O-N 3.16Å |
| 670 | A | 45.4 | Very low | 52.2 | Low | 45 Ų | 45 | 126.9 Ų | 126.9 | 37% | 0.372 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -60.4 | -27.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R674 | A670-R674 WeakPolarHBondContact O-CB 3.3Å; A670-R674 VanDerWaalsContact O-CG 3.31Å; A670-R674 WeakPolarHBondContact O-CG 3.42Å; A670-R674 PolarHBondContact O-N 3.26Å; A670-R674 VanDerWaalsContact O-N 3.12Å |
| 671 | H | 46.5 | Very low | 54.5 | Low | 90 Ų | 90 | 125.6 Ų | 125.6 | 42% | 0.417 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -73.5 | -30.2 | 172.8 | -163.6 | -6.1 | 0 | 0 | 0 | 112.5 | I667 L669 R675 | I667-H671 WeakPolarHBondContact O-CB 3.14Å; I667-H671 PolarHBondContact O-N 3Å; L669-H671 PolarHBondContact O-N 3.43Å; H671-R675 PolarHBondContact CD2-NH2 2.9Å; H671-R675 PolarHBondContact CE1-NE 3.37Å; H671-R675 PolarHBondContact ND1-NE 2.99Å; H671-R675 PolarHBondContact NE2-NH2 3.32Å; H671-R675 VanDerWaalsContact O-CG 3.27Å; H671-R675 WeakPolarHBondContact O-CG 3.31Å; H671-R675 PolarHBondContact O-N 3.28Å; H671-R675 VanDerWaalsContact O-N 3.08Å |
| 672 | A | 51.1 | Low | 56.6 | Low | 41 Ų | 41 | 126 Ų | 126 | 34% | 0.339 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.7 | -48.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | H668 L669 R674 R675 Y676 | H668-A672 PolarHBondContact O-N 3.45Å; L669-A672 WeakPolarHBondContact O-CB 3.45Å; L669-A672 PolarHBondContact O-N 3.4Å; A672-R674 PolarHBondContact O-N 2.88Å; A672-R675 WeakPolarHBondContact O-CB 3.29Å; A672-R675 PolarHBondContact O-N 2.93Å; A672-Y676 WeakPolarHBondContact O-CD2 3.35Å; A672-Y676 PolarHBondContact O-N 2.63Å; A672-Y676 VanDerWaalsContact O-N 3.07Å |
| 673 | E | 58.9 | Low | 59.1 | Low | 125 Ų | 125 | 124.5 Ų | 124.5 | 58% | 0.584 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -59.8 | -45.9 | 176.6 | -64.5 | 176.7 | 149.1 | 0 | 0 | 111.5 | L669 R675 Y676 I677 | L669-E673 PolarHBondContact O-N 3.16Å; E673-R675 VanDerWaalsContact C-N 3.25Å; E673-R675 PolarHBondContact O-N 2.94Å; E673-Y676 PolarHBondContact O-N 3.23Å; E673-I677 WeakPolarHBondContact O-CG1 3.42Å; E673-I677 PolarHBondContact O-N 3.05Å |
| 674 | R | 68 | Low | 61.6 | Low | 184 Ų | 184 | 118.3 Ų | 118.3 | 69% | 0.694 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.4 | -30.2 | 174 | -76.7 | -178.8 | 175.8 | -166.7 | -0.9 | 113.5 | A670 A672 Y678 | A670-R674 WeakPolarHBondContact O-CB 3.3Å; A670-R674 VanDerWaalsContact O-CG 3.31Å; A670-R674 WeakPolarHBondContact O-CG 3.42Å; A670-R674 PolarHBondContact O-N 3.26Å; A670-R674 VanDerWaalsContact O-N 3.12Å; A672-R674 PolarHBondContact O-N 2.88Å; R674-Y678 WeakPolarHBondContact O-CB 3.31Å; R674-Y678 PolarHBondContact O-N 3.4Å |
| 675 | R | 72.3 | Confident | 63.6 | Low | 141 Ų | 141 | 116.9 Ų | 116.9 | 53% | 0.532 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.1 | -44.7 | 174.2 | -77 | 170.9 | -165.1 | -162.6 | 1.9 | 111.5 | H671 A672 E673 I677 Y678 I679 | H671-R675 PolarHBondContact CD2-NH2 2.9Å; H671-R675 PolarHBondContact CE1-NE 3.37Å; H671-R675 PolarHBondContact ND1-NE 2.99Å; H671-R675 PolarHBondContact NE2-NH2 3.32Å; H671-R675 VanDerWaalsContact O-CG 3.27Å; H671-R675 WeakPolarHBondContact O-CG 3.31Å; H671-R675 PolarHBondContact O-N 3.28Å; H671-R675 VanDerWaalsContact O-N 3.08Å; A672-R675 WeakPolarHBondContact O-CB 3.29Å; A672-R675 PolarHBondContact O-N 2.93Å; E673-R675 VanDerWaalsContact C-N 3.25Å; E673-R675 PolarHBondContact O-N 2.94Å; R675-I677 VanDerWaalsContact C-N 3.34Å; R675-I677 PolarHBondContact O-N 3.38Å; R675-Y678 PolarHBondContact O-N 3.21Å; R675-I679 WeakPolarHBondContact O-CB 3.35Å; R675-I679 WeakPolarHBondContact O-CD1 3.48Å; R675-I679 VanDerWaalsContact O-CG1 3.25Å; R675-I679 WeakPolarHBondContact O-CG1 3.38Å; R675-I679 PolarHBondContact O-N 3.19Å |
| 676 | Y | 70.2 | Confident | 65.8 | Low | 179 Ų | 179 | 117.5 Ų | 117.5 | 70% | 0.702 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.1 | -44.4 | 175.5 | -83.6 | -73.6 | 0 | 0 | 0 | 111.7 | A672 E673 Y678 I679 Y680 | A672-Y676 WeakPolarHBondContact O-CD2 3.35Å; A672-Y676 PolarHBondContact O-N 2.63Å; A672-Y676 VanDerWaalsContact O-N 3.07Å; E673-Y676 PolarHBondContact O-N 3.23Å; Y676-Y678 PolarHBondContact O-N 2.77Å; Y676-I679 PolarHBondContact O-N 3.32Å; Y676-Y680 WeakPolarHBondContact O-CB 3.45Å; Y676-Y680 PolarHBondContact O-N 3.44Å |
| 677 | I | 77.6 | Confident | 67.7 | Low | 98 Ų | 98 | 118.5 Ų | 118.5 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61 | -46.2 | 175.8 | -65.7 | 166.8 | 0 | 0 | 0 | 111.2 | E673 R675 I679 Y680 I681 | E673-I677 WeakPolarHBondContact O-CG1 3.42Å; E673-I677 PolarHBondContact O-N 3.05Å; R675-I677 VanDerWaalsContact C-N 3.34Å; R675-I677 PolarHBondContact O-N 3.38Å; I677-I679 PolarHBondContact O-N 3.08Å; I677-Y680 PolarHBondContact O-N 3.36Å; I677-I681 HydrophobicContact CG2-CD1 3.69Å; I677-I681 HydrophobicContact CG2-CG1 4.43Å; I677-I681 WeakPolarHBondContact O-CB 3Å; I677-I681 VanDerWaalsContact O-CG1 3.3Å; I677-I681 WeakPolarHBondContact O-CG1 3.12Å; I677-I681 PolarHBondContact O-N 3.02Å |
| 678 | Y | 74 | Confident | 69.3 | Low | 184 Ų | 184 | 118.1 Ų | 118.1 | 72% | 0.722 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.8 | -38.8 | 177.2 | -107 | -91 | 0 | 0 | 0 | 113.4 | R674 R675 Y676 Y682 | R674-Y678 WeakPolarHBondContact O-CB 3.31Å; R674-Y678 PolarHBondContact O-N 3.4Å; R675-Y678 PolarHBondContact O-N 3.21Å; Y676-Y678 PolarHBondContact O-N 2.77Å; Y678-Y682 VanDerWaalsContact O-CB 3.24Å; Y678-Y682 WeakPolarHBondContact O-CB 3.2Å; Y678-Y682 PolarHBondContact O-N 3.36Å |
| 679 | I | 82 | Confident | 71.1 | Confident | 95 Ų | 95 | 117.6 Ų | 117.6 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 176.8 | -71 | 164.6 | 0 | 0 | 0 | 110 | R675 Y676 I677 Y682 I683 | R675-I679 WeakPolarHBondContact O-CB 3.35Å; R675-I679 WeakPolarHBondContact O-CD1 3.48Å; R675-I679 VanDerWaalsContact O-CG1 3.25Å; R675-I679 WeakPolarHBondContact O-CG1 3.38Å; R675-I679 PolarHBondContact O-N 3.19Å; Y676-I679 PolarHBondContact O-N 3.32Å; I677-I679 PolarHBondContact O-N 3.08Å; I679-Y682 PolarHBondContact O-N 2.87Å; I679-I683 HydrophobicContact CG2-CD1 3.71Å; I679-I683 HydrophobicContact CG2-CG1 4.44Å; I679-I683 WeakPolarHBondContact O-CB 3.46Å; I679-I683 VanDerWaalsContact O-CG1 3.3Å; I679-I683 WeakPolarHBondContact O-CG1 3.49Å; I679-I683 PolarHBondContact O-N 3.17Å |
| 680 | Y | 77.4 | Confident | 72.6 | Confident | 173 Ų | 173 | 115 Ų | 115 | 68% | 0.678 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63 | -47.8 | 178.8 | -159 | -95.1 | 0 | 0 | 0 | 111.6 | Y676 I677 Y682 I683 T684 | Y676-Y680 WeakPolarHBondContact O-CB 3.45Å; Y676-Y680 PolarHBondContact O-N 3.44Å; I677-Y680 PolarHBondContact O-N 3.36Å; Y680-Y682 VanDerWaalsContact C-N 3.32Å; Y680-Y682 PolarHBondContact O-N 3.25Å; Y680-I683 PolarHBondContact O-N 2.85Å; Y680-T684 PolarHBondContact O-N 3.39Å; Y680-T684 PolarHBondContact O-OG1 2.95Å; Y680-T684 VanDerWaalsContact O-OG1 3.12Å |
| 681 | I | 83.6 | Confident | 73.6 | Confident | 89 Ų | 89 | 115.5 Ų | 115.5 | 46% | 0.456 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 174.8 | -68.9 | 170 | 0 | 0 | 0 | 111.1 | I677 T684 L685 | I677-I681 HydrophobicContact CG2-CD1 3.69Å; I677-I681 HydrophobicContact CG2-CG1 4.43Å; I677-I681 WeakPolarHBondContact O-CB 3Å; I677-I681 VanDerWaalsContact O-CG1 3.3Å; I677-I681 WeakPolarHBondContact O-CG1 3.12Å; I677-I681 PolarHBondContact O-N 3.02Å; I681-T684 PolarHBondContact O-N 2.89Å; I681-L685 HydrophobicContact CG2-CD1 3.81Å; I681-L685 HydrophobicContact CG2-CG 4.35Å; I681-L685 VanDerWaalsContact O-CB 3.29Å; I681-L685 WeakPolarHBondContact O-CB 3.39Å; I681-L685 VanDerWaalsContact O-CG 3.31Å; I681-L685 WeakPolarHBondContact O-CG 3.47Å; I681-L685 PolarHBondContact O-N 3.37Å |
| 682 | Y | 82 | Confident | 74.2 | Confident | 130 Ų | 130 | 113.8 Ų | 113.8 | 51% | 0.51 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 178.1 | -173.3 | -93.9 | 0 | 0 | 0 | 112.3 | Y678 I679 Y680 L686 | Y678-Y682 VanDerWaalsContact O-CB 3.24Å; Y678-Y682 WeakPolarHBondContact O-CB 3.2Å; Y678-Y682 PolarHBondContact O-N 3.36Å; I679-Y682 PolarHBondContact O-N 2.87Å; Y680-Y682 VanDerWaalsContact C-N 3.32Å; Y680-Y682 PolarHBondContact O-N 3.25Å; Y682-L686 HydrophobicContact CE1-CD1 4.45Å; Y682-L686 VanDerWaalsContact O-CB 3.28Å; Y682-L686 WeakPolarHBondContact O-CB 3.49Å; Y682-L686 PolarHBondContact O-N 2.91Å |
| 683 | I | 84.4 | Confident | 74.3 | Confident | 99 Ų | 99 | 119 Ų | 119 | 51% | 0.508 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.3 | -47.9 | 175.9 | -70.6 | 168.2 | 0 | 0 | 0 | 110.5 | I679 Y680 L685 L686 H687 | I679-I683 HydrophobicContact CG2-CD1 3.71Å; I679-I683 HydrophobicContact CG2-CG1 4.44Å; I679-I683 WeakPolarHBondContact O-CB 3.46Å; I679-I683 VanDerWaalsContact O-CG1 3.3Å; I679-I683 WeakPolarHBondContact O-CG1 3.49Å; I679-I683 PolarHBondContact O-N 3.17Å; Y680-I683 PolarHBondContact O-N 2.85Å; I683-L685 PolarHBondContact O-N 2.74Å; I683-L686 PolarHBondContact O-N 2.88Å; I683-L686 VanDerWaalsContact O-N 3.16Å; I683-H687 WeakPolarHBondContact O-CB 3.48Å; I683-H687 PolarHBondContact O-N 2.75Å |
| 684 | T | 81.9 | Confident | 73.7 | Confident | 71 Ų | 71 | 118.3 Ų | 118.3 | 44% | 0.436 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.2 | -41.7 | 178.4 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | Y680 I681 H687 M688 | Y680-T684 PolarHBondContact O-N 3.39Å; Y680-T684 PolarHBondContact O-OG1 2.95Å; Y680-T684 VanDerWaalsContact O-OG1 3.12Å; I681-T684 PolarHBondContact O-N 2.89Å; T684-H687 PolarHBondContact O-N 2.7Å; T684-M688 WeakPolarHBondContact O-CB 3.49Å; T684-M688 VanDerWaalsContact O-CG 3.32Å; T684-M688 WeakPolarHBondContact O-CG 3.07Å; T684-M688 PolarHBondContact O-N 3.1Å |
| 685 | L | 81.9 | Confident | 72.7 | Confident | 110 Ų | 110 | 114 Ų | 114 | 58% | 0.576 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.5 | -37.9 | 172.9 | -76.9 | 173 | 0 | 0 | 0 | 112.4 | I681 I683 K689 | I681-L685 HydrophobicContact CG2-CD1 3.81Å; I681-L685 HydrophobicContact CG2-CG 4.35Å; I681-L685 VanDerWaalsContact O-CB 3.29Å; I681-L685 WeakPolarHBondContact O-CB 3.39Å; I681-L685 VanDerWaalsContact O-CG 3.31Å; I681-L685 WeakPolarHBondContact O-CG 3.47Å; I681-L685 PolarHBondContact O-N 3.37Å; I683-L685 PolarHBondContact O-N 2.74Å; L685-K689 VanDerWaalsContact O-CB 3.26Å; L685-K689 WeakPolarHBondContact O-CB 3.4Å; L685-K689 PolarHBondContact O-N 3.38Å |
| 686 | L | 83.3 | Confident | 71.4 | Confident | 92 Ų | 92 | 116.1 Ų | 116.1 | 48% | 0.482 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.2 | -43.4 | 175.8 | -159.9 | 78.7 | 0 | 0 | 0 | 110.7 | Y682 I683 K689 V690 | Y682-L686 HydrophobicContact CE1-CD1 4.45Å; Y682-L686 VanDerWaalsContact O-CB 3.28Å; Y682-L686 WeakPolarHBondContact O-CB 3.49Å; Y682-L686 PolarHBondContact O-N 2.91Å; I683-L686 PolarHBondContact O-N 2.88Å; I683-L686 VanDerWaalsContact O-N 3.16Å; L686-K689 CarbonylContact O-C 3.57Å; L686-K689 PolarHBondContact O-N 3.32Å; L686-K689 VanDerWaalsContact O-N 3.1Å; L686-V690 WeakPolarHBondContact O-CG2 3.48Å; L686-V690 PolarHBondContact O-N 2.88Å |
| 687 | H | 78.9 | Confident | 70.2 | Confident | 135 Ų | 135 | 111.5 Ų | 111.5 | 63% | 0.625 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.1 | -48.4 | 176.7 | -156.5 | -123.6 | 0 | 0 | 0 | 110.8 | I683 T684 K689 V690 S691 | I683-H687 WeakPolarHBondContact O-CB 3.48Å; I683-H687 PolarHBondContact O-N 2.75Å; T684-H687 PolarHBondContact O-N 2.7Å; H687-K689 VanDerWaalsContact C-N 3.28Å; H687-K689 PolarHBondContact O-N 3.38Å; H687-V690 PolarHBondContact O-N 3.47Å; H687-S691 PolarHBondContact O-N 3.04Å; H687-S691 PolarHBondContact O-OG 3.5Å |
| 688 | M | 75 | Confident | 68.3 | Low | 122 Ų | 122 | 110.7 Ų | 110.7 | 60% | 0.601 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -57.5 | -37.2 | 170.6 | -72.7 | -120.4 | 85.1 | 0 | 0 | 112.6 | T684 S692 | T684-M688 WeakPolarHBondContact O-CB 3.49Å; T684-M688 VanDerWaalsContact O-CG 3.32Å; T684-M688 WeakPolarHBondContact O-CG 3.07Å; T684-M688 PolarHBondContact O-N 3.1Å; M688-S692 WeakPolarHBondContact O-CB 3.38Å; M688-S692 PolarHBondContact O-N 3.3Å; M688-S692 PolarHBondContact O-OG 2.99Å |
| 689 | K | 77.2 | Confident | 66.6 | Low | 138 Ų | 138 | 106.1 Ų | 106.1 | 60% | 0.6 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -74.8 | -27.8 | 179.4 | -153.9 | 67.5 | 168.8 | -173.5 | 0 | 113.6 | L685 L686 H687 K693 | L685-K689 VanDerWaalsContact O-CB 3.26Å; L685-K689 WeakPolarHBondContact O-CB 3.4Å; L685-K689 PolarHBondContact O-N 3.38Å; L686-K689 CarbonylContact O-C 3.57Å; L686-K689 PolarHBondContact O-N 3.32Å; L686-K689 VanDerWaalsContact O-N 3.1Å; H687-K689 VanDerWaalsContact C-N 3.28Å; H687-K689 PolarHBondContact O-N 3.38Å; K689-K693 WeakPolarHBondContact O-CB 3.27Å; K689-K693 WeakPolarHBondContact O-CG 3.32Å; K689-K693 PolarHBondContact O-N 3.07Å |
| 690 | V | 73.8 | Confident | 64.5 | Low | 74 Ų | 74 | 108.5 Ų | 108.5 | 45% | 0.448 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73.7 | -53.9 | 170.6 | 171.3 | 0 | 0 | 0 | 0 | 109.2 | L686 H687 S692 K693 L694 | L686-V690 WeakPolarHBondContact O-CG2 3.48Å; L686-V690 PolarHBondContact O-N 2.88Å; H687-V690 PolarHBondContact O-N 3.47Å; V690-S692 PolarHBondContact O-N 3.48Å; V690-K693 WeakPolarHBondContact O-CA 3.45Å; V690-K693 PolarHBondContact O-N 3.19Å; V690-L694 HydrophobicContact CG1-CD1 4.02Å; V690-L694 WeakPolarHBondContact O-CD1 3.44Å; V690-L694 PolarHBondContact O-N 2.71Å |
| 691 | S | 65.5 | Low | 62.5 | Low | 55 Ų | 55 | 106.9 Ų | 106.9 | 39% | 0.385 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.5 | -43.5 | 179.2 | -59.7 | 0 | 0 | 0 | 0 | 112.7 | H687 K693 L694 T695 | H687-S691 PolarHBondContact O-N 3.04Å; H687-S691 PolarHBondContact O-OG 3.5Å; S691-K693 PolarHBondContact O-N 3.41Å; S691-L694 PolarHBondContact O-N 2.92Å; S691-T695 WeakPolarHBondContact O-CB 3.4Å; S691-T695 VanDerWaalsContact O-CG2 3.3Å; S691-T695 WeakPolarHBondContact O-CG2 3.47Å; S691-T695 PolarHBondContact O-N 3.38Å; S691-T695 PolarHBondContact O-OG1 2.89Å |
| 692 | S | 59.8 | Low | 60 | Low | 54 Ų | 54 | 111.7 Ų | 111.7 | 38% | 0.378 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.9 | -8 | 175.7 | 62.1 | 0 | 0 | 0 | 0 | 115.2 | M688 V690 T695 | M688-S692 WeakPolarHBondContact O-CB 3.38Å; M688-S692 PolarHBondContact O-N 3.3Å; M688-S692 PolarHBondContact O-OG 2.99Å; V690-S692 PolarHBondContact O-N 3.48Å; S692-T695 WeakPolarHBondContact CA-OG1 3.39Å |
| 693 | K | 52.1 | Low | 57.7 | Low | 150 Ų | 150 | 116.8 Ų | 116.8 | 65% | 0.652 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -92.5 | -42.4 | 168.2 | -85.7 | -173.3 | 169.6 | -169.6 | 0 | 112.4 | K689 V690 S691 | K689-K693 WeakPolarHBondContact O-CB 3.27Å; K689-K693 WeakPolarHBondContact O-CG 3.32Å; K689-K693 PolarHBondContact O-N 3.07Å; V690-K693 WeakPolarHBondContact O-CA 3.45Å; V690-K693 PolarHBondContact O-N 3.19Å; S691-K693 PolarHBondContact O-N 3.41Å |
| 694 | L | 46.6 | Very low | 55.2 | Low | 112 Ų | 112 | 120.3 Ų | 120.3 | 59% | 0.586 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.4 | -35.8 | 178.7 | -87.3 | 68 | 0 | 0 | 0 | 112.1 | V690 S691 K696 S697 | V690-L694 HydrophobicContact CG1-CD1 4.02Å; V690-L694 WeakPolarHBondContact O-CD1 3.44Å; V690-L694 PolarHBondContact O-N 2.71Å; S691-L694 PolarHBondContact O-N 2.92Å; L694-K696 PolarHBondContact O-N 3.43Å; L694-K696 VanDerWaalsContact O-N 3.1Å; L694-S697 PolarHBondContact O-OG 2.69Å |
| 695 | T | 47.6 | Very low | 52.7 | Low | 93 Ų | 93 | 125.5 Ų | 125.5 | 57% | 0.571 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -5 | -179.9 | 47.3 | 0 | 0 | 0 | 0 | 115.2 | S691 S692 | S691-T695 WeakPolarHBondContact O-CB 3.4Å; S691-T695 VanDerWaalsContact O-CG2 3.3Å; S691-T695 WeakPolarHBondContact O-CG2 3.47Å; S691-T695 PolarHBondContact O-N 3.38Å; S691-T695 PolarHBondContact O-OG1 2.89Å; S692-T695 WeakPolarHBondContact CA-OG1 3.39Å |
| 696 | K | 45.5 | Very low | 50.4 | Low | 185 Ų | 185 | 129.4 Ų | 129.4 | 80% | 0.804 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -5.3 | -178 | -74.4 | -171.5 | 173.7 | -176.6 | 0 | 115.3 | L694 | L694-K696 PolarHBondContact O-N 3.43Å; L694-K696 VanDerWaalsContact O-N 3.1Å |
| 697 | S | 43.8 | Very low | 48 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 57% | 0.573 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -43.1 | 176.2 | 39.6 | 0 | 0 | 0 | 0 | 113.3 | L694 | L694-S697 PolarHBondContact O-OG 2.69Š|
| 698 | D | 37.5 | Very low | 45.8 | Very low | 81 Ų | 81 | 129.5 Ų | 129.5 | 43% | 0.433 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -110 | 7.6 | -160.2 | -57.9 | -77.4 | 0 | 0 | 0 | 115 | V700 N701 Y702 | D698-V700 PolarHBondContact O-N 3.05Å; D698-N701 PolarHBondContact O-N 2.96Å; D698-N701 VanDerWaalsContact O-N 3.1Å; D698-Y702 HydrophobicContact CB-CD2 3.83Å; D698-Y702 HydrophobicContact CB-CE2 3.93Å |
| 699 | A | 38.8 | Very low | 43.8 | Very low | 89 Ų | 89 | 129.1 Ų | 129.1 | 74% | 0.736 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 5.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 700 | V | 38.6 | Very low | 41.9 | Very low | 144 Ų | 144 | 127.8 Ų | 127.8 | 87% | 0.873 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | -16.2 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | D698 | D698-V700 PolarHBondContact O-N 3.05Š|
| 701 | N | 35.1 | Very low | 40.2 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | -2.6 | -169.1 | -149 | 23.6 | 0 | 0 | 0 | 115.9 | D698 R703 | D698-N701 PolarHBondContact O-N 2.96Å; D698-N701 VanDerWaalsContact O-N 3.1Å; N701-R703 PolarHBondContact O-N 3.25Å |
| 702 | Y | 31.7 | Very low | 38.9 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 75% | 0.745 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 23 | -179.8 | -92.5 | -82.3 | 0 | 0 | 0 | 115.2 | D698 | D698-Y702 HydrophobicContact CB-CD2 3.83Å; D698-Y702 HydrophobicContact CB-CE2 3.93Å |
| 703 | R | 33.4 | Very low | 38 | Very low | 237 Ų | 237 | 140.9 Ų | 140.9 | 89% | 0.894 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 4.1 | 177.5 | -143.9 | 173.5 | -166.9 | 161.6 | 6.3 | 114.7 | N701 | N701-R703 PolarHBondContact O-N 3.25Š|
| 704 | F | 30.5 | Very low | 37.3 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 76% | 0.763 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -135 | 152.5 | 169.3 | -81.8 | -101.5 | 0 | 0 | 0 | 108.4 | ||
| 705 | H | 30.4 | Very low | 36.9 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 83% | 0.833 | 72% | 0.715 | S | S | * | * | trans | 73.5 | 56.3 | -179.3 | -58.7 | -80.3 | 0 | 0 | 0 | 118.7 | ||||
| 706 | Q | 34 | Very low | 36.6 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 89% | 0.893 | 71% | 0.713 | S | S | * | * | trans | -129.7 | 86.3 | 139.3 | -96.5 | -171.1 | 6.3 | 0 | 0 | 111.3 | ||||
| 707 | S | 33.3 | Very low | 36.3 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | -84.7 | 167 | 143.9 | 70.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 708 | T | 31.3 | Very low | 36.2 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | cis | -152.2 | 112.9 | 11.9 | -31.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 709 | N | 33.6 | Very low | 36.4 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 61% | 0.61 | 73% | 0.725 | S | S | * | * | trans | -158.9 | 112.5 | 166.6 | -158.1 | -32.1 | 0 | 0 | 0 | 110.9 | N711 | N709-N711 PolarHBondContact O-N 2.9Š| ||
| 710 | P | 37.1 | Very low | 36.4 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -12.8 | -168 | 30.8 | -35.8 | 0 | 0 | 0 | 115.3 | ||
| 711 | N | 38.7 | Very low | 36.4 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -12.7 | -164.5 | -69.5 | -40.2 | 0 | 0 | 0 | 116 | N709 | N709-N711 PolarHBondContact O-N 2.9Š|
| 712 | Y | 37.9 | Very low | 36.6 | Very low | 196 Ų | 196 | 149.3 Ų | 149.3 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -91.7 | -12.1 | -172.4 | -95.1 | -86 | 0 | 0 | 0 | 116.1 | ||
| 713 | L | 40.2 | Very low | 36.9 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 72% | 0.723 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -83.6 | -18.9 | 177.3 | -82.5 | 167.4 | 0 | 0 | 0 | 113.8 | E715 S716 | L713-E715 VanDerWaalsContact C-N 3.33Å; L713-E715 PolarHBondContact O-N 3.44Å; L713-S716 PolarHBondContact O-OG 2.93Å |
| 714 | L | 38.6 | Very low | 36.8 | Very low | 121 Ų | 121 | 140 Ų | 140 | 63% | 0.634 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -9.3 | -171.5 | -135.4 | 74.8 | 0 | 0 | 0 | 114.6 | K718 | L714-K718 WeakPolarHBondContact O-CD 3.3Å; L714-K718 WeakPolarHBondContact O-CE 3.48Å; L714-K718 PolarHBondContact O-NZ 2.83Å |
| 715 | E | 36.8 | Very low | 37 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 55% | 0.547 | 71% | 0.706 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.2 | -20.8 | -172.9 | -146.8 | 58.1 | -144.2 | 0 | 0 | 113.8 | L713 K718 | L713-E715 VanDerWaalsContact C-N 3.33Å; L713-E715 PolarHBondContact O-N 3.44Å; E715-K718 IonicContact OE1-NZ 2.7Å; E715-K718 PolarHBondContact OE1-NZ 2.95Å; E715-K718 IonicContact OE2-NZ 3.56Å; E715-K718 PolarHBondContact OE2-NZ 3.08Å |
| 716 | S | 41.2 | Very low | 37.3 | Very low | 76 Ų | 76 | 135.5 Ų | 135.5 | 53% | 0.531 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | -39.4 | 172.3 | 45.7 | 0 | 0 | 0 | 0 | 112.5 | L713 K718 R719 | L713-S716 PolarHBondContact O-OG 2.93Å; S716-K718 VanDerWaalsContact C-N 3.27Å; S716-K718 PolarHBondContact O-N 3.37Å; S716-R719 PolarHBondContact O-N 3.05Å |
| 717 | E | 39.1 | Very low | 37.5 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 73% | 0.729 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -71.4 | -21.5 | -174.4 | -160.2 | 155.5 | -134.1 | 0 | 0 | 112.9 | R719 | E717-R719 VanDerWaalsContact C-N 3.27Å; E717-R719 PolarHBondContact O-N 3.06Å |
| 718 | K | 41.7 | Very low | 37.7 | Very low | 129 Ų | 129 | 132 Ų | 132 | 56% | 0.561 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -69 | -13.8 | 177.3 | -69.7 | 172.4 | -174.9 | 159.5 | 0 | 115.2 | L714 E715 S716 | L714-K718 WeakPolarHBondContact O-CD 3.3Å; L714-K718 WeakPolarHBondContact O-CE 3.48Å; L714-K718 PolarHBondContact O-NZ 2.83Å; E715-K718 IonicContact OE1-NZ 2.7Å; E715-K718 PolarHBondContact OE1-NZ 2.95Å; E715-K718 IonicContact OE2-NZ 3.56Å; E715-K718 PolarHBondContact OE2-NZ 3.08Å; S716-K718 VanDerWaalsContact C-N 3.27Å; S716-K718 PolarHBondContact O-N 3.37Å |
| 719 | R | 41.9 | Very low | 38 | Very low | 205 Ų | 205 | 131 Ų | 131 | 77% | 0.774 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -91.5 | -10.7 | -170 | -71.2 | -168.4 | 170.1 | -134.9 | -4.9 | 115.4 | S716 E717 | S716-R719 PolarHBondContact O-N 3.05Å; E717-R719 VanDerWaalsContact C-N 3.27Å; E717-R719 PolarHBondContact O-N 3.06Å |
| 720 | H | 40.1 | Very low | 38.1 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | trans | -132.1 | 55.6 | -173.6 | -63.9 | -27.4 | 0 | 0 | 0 | 113.5 | ||||
| 721 | S | 38.6 | Very low | 38 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 55% | 0.545 | 71% | 0.71 | S | S | . | * | trans | -122.3 | 103.2 | 167.8 | -170.9 | 0 | 0 | 0 | 0 | 111.2 | L723 | S721-L723 PolarHBondContact OG-O 3.26Š| ||
| 722 | W | 39.4 | Very low | 37.8 | Very low | 205 Ų | 205 | 133 Ų | 133 | 78% | 0.777 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -95.7 | -0.5 | 174.2 | -90.2 | 90.1 | 0 | 0 | 0 | 113.3 | ||
| 723 | L | 37.3 | Very low | 37.6 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -141.6 | 110.3 | 179.3 | -69 | 172.2 | 0 | 0 | 0 | 108.2 | S721 C725 | S721-L723 PolarHBondContact OG-O 3.26Å; L723-C725 PolarHBondContact O-N 3.28Å |
| 724 | G | 31.5 | Very low | 37.3 | Very low | 82 Ų | 82 | 132 Ų | 132 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | trans | -68.2 | 96.8 | -172 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 725 | C | 35.5 | Very low | 37 | Very low | 95 Ų | 95 | 130 Ų | 130 | 64% | 0.642 | 72% | 0.722 | S | S | * | * | trans | -149.9 | 92.3 | 171.3 | -87.4 | 0 | 0 | 0 | 0 | 109.6 | L723 | L723-C725 PolarHBondContact O-N 3.28Š| ||
| 726 | D | 35.5 | Very low | 36.6 | Very low | 164 Ų | 164 | 134 Ų | 134 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | trans | -69.2 | 132.2 | 169 | -62.5 | -39.7 | 0 | 0 | 0 | 109.5 | ||||
| 727 | V | 37.7 | Very low | 36.3 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 56% | 0.558 | 75% | 0.753 | S | S | * | * | trans | -119.9 | 89.5 | 177.9 | -178.3 | 0 | 0 | 0 | 0 | 109 | S729 | V727-S729 PolarHBondContact O-N 3.07Å; V727-S729 PolarHBondContact O-OG 3.12Å | ||
| 728 | T | 38 | Very low | 35.8 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | -59.6 | 131.8 | 169.1 | 44.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 729 | S | 37.7 | Very low | 35.6 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | -115.8 | 60.9 | -171.2 | -65.2 | 0 | 0 | 0 | 0 | 111 | V727 | V727-S729 PolarHBondContact O-N 3.07Å; V727-S729 PolarHBondContact O-OG 3.12Å | ||
| 730 | D | 36.7 | Very low | 35.1 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -68.6 | 143 | 173.9 | -82.8 | -37.3 | 0 | 0 | 0 | 111.5 | ||||
| 731 | S | 34.7 | Very low | 34.5 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -145.3 | 166.1 | -177.3 | 62.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 732 | S | 34.5 | Very low | 34.3 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | 82.1 | 77.5 | -176.4 | -164.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 733 | E | 33.2 | Very low | 33.8 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | 22.6 | 138.7 | 130.5 | -68 | -157.1 | 113.5 | 0 | 0 | 123 | ||||
| 734 | K | 33.6 | Very low | 33.8 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 79.1 | 97.5 | 141.6 | -70.6 | 159.1 | -174.3 | 150.4 | 0 | 119.9 | ||||
| 735 | G | 31.6 | Very low | 33.7 | Very low | 80 Ų | 80 | 137.6 Ų | 137.6 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -162.5 | 114.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 736 | Y | 29.6 | Very low | 33.5 | Very low | 201 Ų | 201 | 141.8 Ų | 141.8 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | trans | -94.5 | 132.5 | -176.3 | -73.4 | -95.2 | 0 | 0 | 0 | 112.3 | ||||
| 737 | Y | 34.4 | Very low | 33.4 | Very low | 240 Ų | 240 | 137.9 Ų | 137.9 | 94% | 0.941 | 77% | 0.768 | S | S | * | * | trans | -156.8 | 147.5 | 138 | -87.3 | -63.4 | 0 | 0 | 0 | 109.9 | ||||
| 738 | L | 29.9 | Very low | 33 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | -103.3 | 132.4 | -176 | -76.4 | 68.3 | 0 | 0 | 0 | 111.3 | ||||
| 739 | I | 36.3 | Very low | 32.7 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -140.9 | 141.1 | 152.8 | -65 | -170.3 | 0 | 0 | 0 | 107 | ||||
| 740 | P | 30.8 | Very low | 32.4 | Very low | 108 Ų | 108 | 144 Ų | 144 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -106.6 | 163.4 | -151.8 | 39.9 | -36.3 | 0 | 0 | 0 | 117.4 | ||||
| 741 | D | 27.8 | Very low | 32.2 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | 33.4 | 98.9 | 151 | -63.9 | -20.9 | 0 | 0 | 0 | 120 | ||||
| 742 | S | 35.4 | Very low | 32.3 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -147.8 | 107 | 147.2 | -77 | 0 | 0 | 0 | 0 | 108.6 | L744 | S742-L744 PolarHBondContact O-N 3.45Š| ||
| 743 | G | 28.8 | Very low | 32.5 | Very low | 79 Ų | 79 | 143.8 Ų | 143.8 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | -83 | 117 | -162.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 744 | L | 36.3 | Very low | 32.7 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -122.8 | 101.1 | 161.7 | -71.5 | 176.4 | 0 | 0 | 0 | 110.2 | S742 F746 | S742-L744 PolarHBondContact O-N 3.45Å; L744-F746 HydrophobicContact CB-CD2 4.12Å; L744-F746 HydrophobicContact CB-CE2 4.06Å; L744-F746 HydrophobicContact CD1-CE2 4.24Å; L744-F746 PolarHBondContact O-N 3.29Å | ||
| 745 | N | 30 | Very low | 33 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | -74.5 | 84.9 | 174.6 | -101 | -68.8 | 0 | 0 | 0 | 110.6 | Q747 | N745-Q747 VanDerWaalsContact C-N 3.27Å; N745-Q747 PolarHBondContact O-N 3.2Å | ||
| 746 | F | 30.6 | Very low | 33.1 | Very low | 183 Ų | 183 | 146.7 Ų | 146.7 | 80% | 0.803 | 79% | 0.788 | S | S | * | * | trans | -89.9 | 60.2 | 163.7 | -74.1 | -70.1 | 0 | 0 | 0 | 111.3 | L744 | L744-F746 HydrophobicContact CB-CD2 4.12Å; L744-F746 HydrophobicContact CB-CE2 4.06Å; L744-F746 HydrophobicContact CD1-CE2 4.24Å; L744-F746 PolarHBondContact O-N 3.29Å | ||
| 747 | Q | 33.2 | Very low | 33.4 | Very low | 82 Ų | 82 | 142.9 Ų | 142.9 | 38% | 0.383 | 79% | 0.789 | S | S | . | * | trans | -91.6 | 132 | 161.9 | -163.1 | 100.7 | 9 | 0 | 0 | 109 | D239 R243 N745 S749 | D239-Q747 PolarHBondContact OD2-NE2 3.2Å; R243-Q747 VanDerWaalsContact CZ-CG 3.5Å; R243-Q747 VanDerWaalsContact CZ-OE1 3.23Å; R243-Q747 VanDerWaalsContact NE-CD 3.25Å; N745-Q747 VanDerWaalsContact C-N 3.27Å; N745-Q747 PolarHBondContact O-N 3.2Å; Q747-S749 PolarHBondContact O-N 2.94Å | ||
| 748 | N | 29.8 | Very low | 33.4 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -59.6 | 101.3 | 176.1 | -62.9 | -48.4 | 0 | 0 | 0 | 111.4 | F750 | N748-F750 VanDerWaalsContact C-N 3.31Å; N748-F750 PolarHBondContact O-N 2.73Å | ||
| 749 | S | 31.6 | Very low | 33.9 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -96.1 | 53.7 | 171.8 | -168.5 | 0 | 0 | 0 | 0 | 110.7 | Q747 D751 | Q747-S749 PolarHBondContact O-N 2.94Å; S749-D751 PolarHBondContact O-N 3.25Å | ||
| 750 | F | 32 | Very low | 34.1 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -79 | 79 | 166.5 | -99 | -84.5 | 0 | 0 | 0 | 108.9 | N748 | N748-F750 VanDerWaalsContact C-N 3.31Å; N748-F750 PolarHBondContact O-N 2.73Å | ||
| 751 | D | 33 | Very low | 34.6 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -173.3 | 177.9 | 151.8 | -92.2 | -30.7 | 0 | 0 | 0 | 109.3 | S749 S753 | S749-D751 PolarHBondContact O-N 3.25Å; D751-S753 VanDerWaalsContact C-N 3.26Å; D751-S753 PolarHBondContact O-N 2.88Å |
| 752 | D | 36.8 | Very low | 34.8 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 61.7 | -22.4 | 176.5 | -66.4 | -21.4 | 0 | 0 | 0 | 120 | L754 | D752-L754 VanDerWaalsContact C-N 3.29Å; D752-L754 PolarHBondContact O-N 3.19Å |
| 753 | S | 37.6 | Very low | 34.5 | Very low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -78 | -3.6 | 179.9 | -66.7 | 0 | 0 | 0 | 0 | 115.5 | D751 L755 | D751-S753 VanDerWaalsContact C-N 3.26Å; D751-S753 PolarHBondContact O-N 2.88Å; S753-L755 VanDerWaalsContact C-N 3.3Å; S753-L755 PolarHBondContact O-N 2.93Å |
| 754 | L | 37.1 | Very low | 34.7 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -82.1 | 4.7 | -175.2 | -74.8 | 175.3 | 0 | 0 | 0 | 115.4 | D752 | D752-L754 VanDerWaalsContact C-N 3.29Å; D752-L754 PolarHBondContact O-N 3.19Å |
| 755 | L | 39.7 | Very low | 34.5 | Very low | 174 Ų | 174 | 133 Ų | 133 | 91% | 0.911 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -112.4 | 5.4 | -179.5 | -65.7 | 178.1 | 0 | 0 | 0 | 114.7 | S753 | S753-L755 VanDerWaalsContact C-N 3.3Å; S753-L755 PolarHBondContact O-N 2.93Å |
| 756 | S | 35.7 | Very low | 34.7 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -145.9 | 60.3 | -176.3 | -174.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 757 | C | 33.9 | Very low | 34.9 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -130.5 | 136.5 | 166.5 | -82.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 758 | D | 35.5 | Very low | 35 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | -65.3 | 143.8 | -173.5 | -95.3 | -68.4 | 0 | 0 | 0 | 114.3 | N760 | D758-N760 PolarHBondContact O-N 2.84Š| ||
| 759 | P | 39.9 | Very low | 35.3 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 11 | -174.9 | 32.7 | -37.7 | 0 | 0 | 0 | 114.9 | ||
| 760 | N | 39.8 | Very low | 35.9 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | -1 | -169 | -70.8 | -50.5 | 0 | 0 | 0 | 115.4 | D758 V762 | D758-N760 PolarHBondContact O-N 2.84Å; N760-V762 PolarHBondContact O-N 3.36Å |
| 761 | V | 41.6 | Very low | 36.7 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -85.3 | 106 | 174.5 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | C763 | V761-C763 PolarHBondContact O-N 3.43Š| ||
| 762 | V | 32.3 | Very low | 37 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -77.1 | 90.9 | -179.8 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | N760 T764 | N760-V762 PolarHBondContact O-N 3.36Å; V762-T764 HydrophobicContact CG1-CG2 3.98Å | ||
| 763 | C | 29.4 | Very low | 37.4 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | trans | -94.6 | 112.5 | 168.1 | -164.7 | 0 | 0 | 0 | 0 | 110.5 | V761 S765 | V761-C763 PolarHBondContact O-N 3.43Å; C763-S765 PolarHBondContact O-N 3.38Å; C763-S765 VanDerWaalsContact O-N 3.12Å | ||
| 764 | T | 32.6 | Very low | 38 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -87.8 | 65 | -173.5 | 52.8 | 0 | 0 | 0 | 0 | 113 | V762 | V762-T764 HydrophobicContact CG1-CG2 3.98Š| ||
| 765 | S | 33.2 | Very low | 38.5 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | trans | -129.3 | 37.7 | -178.5 | 52.6 | 0 | 0 | 0 | 0 | 113 | C763 A767 | C763-S765 PolarHBondContact O-N 3.38Å; C763-S765 VanDerWaalsContact O-N 3.12Å; S765-A767 VanDerWaalsContact C-N 3.3Å; S765-A767 PolarHBondContact O-N 3.01Å | ||
| 766 | K | 33.6 | Very low | 39 | Very low | 223 Ų | 223 | 137.3 Ų | 137.3 | 97% | 0.97 | 75% | 0.745 | S | S | * | * | trans | -83.4 | 59.9 | -167.5 | -146.3 | 167.6 | -166.5 | 168.7 | 0 | 114.3 | ||||
| 767 | A | 35.3 | Very low | 39.9 | Very low | 66 Ų | 66 | 139.6 Ų | 139.6 | 55% | 0.545 | 75% | 0.747 | S | S | . | * | trans | -134.8 | 162.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S765 | S765-A767 VanDerWaalsContact C-N 3.3Å; S765-A767 PolarHBondContact O-N 3.01Å | ||
| 768 | Y | 35.5 | Very low | 40.7 | Very low | 203 Ų | 203 | 140 Ų | 140 | 80% | 0.796 | 74% | 0.74 | S | S | * | * | trans | 62.5 | 50.2 | 168.6 | -50.1 | -63.1 | 0 | 0 | 0 | 118.8 | ||||
| 769 | C | 34.9 | Very low | 41.8 | Very low | 137 Ų | 137 | 142 Ų | 142 | 93% | 0.926 | 74% | 0.742 | S | S | * | * | trans | -132.6 | 63.6 | 152.4 | -87.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 770 | K | 44.2 | Very low | 42.2 | Very low | 201 Ų | 201 | 141.2 Ų | 141.2 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | trans | -105.6 | 114.8 | 171.3 | -94 | -176 | 175.8 | 176 | 0 | 110.1 | ||||
| 771 | L | 49.3 | Very low | 42.7 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | -56.8 | 136.2 | 174.7 | -169.7 | 71.7 | 0 | 0 | 0 | 110.9 | Q773 | L771-Q773 PolarHBondContact O-N 2.7Š| ||
| 772 | P | 40.1 | Very low | 43.6 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 48% | 0.481 | 73% | 0.733 | S | S | . | * | trans | -56 | 119.7 | -174.8 | -29.2 | 36.6 | 0 | 0 | 0 | 113.7 | R774 L775 | P772-R774 PolarHBondContact O-N 2.9Å; P772-L775 PolarHBondContact O-N 3.49Å; P772-L775 VanDerWaalsContact O-N 3.1Å | ||
| 773 | Q | 45.2 | Very low | 45.3 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 73% | 0.729 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -64 | -15.4 | -171.7 | -165 | 159.5 | -39.3 | 0 | 0 | 113.8 | L771 L775 K776 | L771-Q773 PolarHBondContact O-N 2.7Å; Q773-L775 VanDerWaalsContact C-N 3.29Å; Q773-L775 PolarHBondContact O-N 3.18Å; Q773-K776 HydrophobicContact CG-CD 4.41Å; Q773-K776 WeakPolarHBondContact O-CB 3.23Å; Q773-K776 PolarHBondContact O-N 3.32Å |
| 774 | R | 48.6 | Very low | 47.4 | Very low | 191 Ų | 191 | 135.3 Ų | 135.3 | 72% | 0.721 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -69.3 | -18.6 | 175.5 | -66.5 | 178.4 | 69.7 | 167.8 | -0.4 | 114 | P772 K776 | P772-R774 PolarHBondContact O-N 2.9Å; R774-K776 VanDerWaalsContact C-N 3.27Å; R774-K776 PolarHBondContact O-N 3.07Å |
| 775 | L | 48.7 | Very low | 49.4 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 58% | 0.581 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -77.9 | -7.6 | 172.7 | -71.4 | 173.3 | 0 | 0 | 0 | 113.7 | P772 Q773 L777 | P772-L775 PolarHBondContact O-N 3.49Å; P772-L775 VanDerWaalsContact O-N 3.1Å; Q773-L775 VanDerWaalsContact C-N 3.29Å; Q773-L775 PolarHBondContact O-N 3.18Å; L775-L777 PolarHBondContact O-N 2.92Å |
| 776 | K | 49.9 | Very low | 51.5 | Low | 175 Ų | 175 | 135.5 Ų | 135.5 | 76% | 0.761 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -75.3 | 5.6 | 175.4 | -67.4 | -166.5 | 173.7 | -173.4 | 0 | 114.8 | Q773 R774 | Q773-K776 HydrophobicContact CG-CD 4.41Å; Q773-K776 WeakPolarHBondContact O-CB 3.23Å; Q773-K776 PolarHBondContact O-N 3.32Å; R774-K776 VanDerWaalsContact C-N 3.27Å; R774-K776 PolarHBondContact O-N 3.07Å |
| 777 | L | 55.2 | Low | 53.5 | Low | 157 Ų | 157 | 129.5 Ų | 129.5 | 82% | 0.822 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -93.3 | 0.2 | 176.7 | -87.3 | 164.4 | 0 | 0 | 0 | 114.3 | L775 K779 | L775-L777 PolarHBondContact O-N 2.92Å; L777-K779 PolarHBondContact O-N 3.1Å |
| 778 | I | 50.3 | Low | 55.4 | Low | 130 Ų | 130 | 129.7 Ų | 129.7 | 67% | 0.667 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -71 | 108.2 | 163.3 | -57.7 | 174.6 | 0 | 0 | 0 | 107.3 | ||
| 779 | K | 57.4 | Low | 57.5 | Low | 175 Ų | 175 | 125.6 Ų | 125.6 | 76% | 0.761 | 66% | 0.655 | S | S | * | * | trans | -56.1 | 129.7 | 167 | -77.4 | -176.4 | 176.3 | 179.4 | 0 | 108.2 | L777 L781 | L777-K779 PolarHBondContact O-N 3.1Å; K779-L781 PolarHBondContact O-N 3.25Å; K779-L781 VanDerWaalsContact O-N 3.11Å | ||
| 780 | P | 50.1 | Low | 59.4 | Low | 103 Ų | 103 | 127.4 Ų | 127.4 | 67% | 0.669 | 64% | 0.643 | S | S | * | * | trans | -61.1 | 119.3 | 171.4 | 26 | -32.7 | 0 | 0 | 0 | 108.4 | D782 | P780-D782 PolarHBondContact O-N 3.38Š| ||
| 781 | L | 49.8 | Very low | 61 | Low | 116 Ų | 116 | 123.7 Ų | 123.7 | 61% | 0.607 | 63% | 0.628 | S | S | * | * | trans | -83.5 | 49.5 | 178.8 | -69.2 | 175.9 | 0 | 0 | 0 | 111 | K779 G783 S784 | K779-L781 PolarHBondContact O-N 3.25Å; K779-L781 VanDerWaalsContact O-N 3.11Å; L781-G783 VanDerWaalsContact C-N 3.31Å; L781-G783 PolarHBondContact O-N 3.48Å; L781-S784 PolarHBondContact O-N 2.94Å | ||
| 782 | D | 59 | Low | 62.2 | Low | 152 Ų | 152 | 121.3 Ų | 121.3 | 81% | 0.813 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 89.2 | 172.6 | -75.1 | -39.5 | 0 | 0 | 0 | 109.3 | P780 | P780-D782 PolarHBondContact O-N 3.38Š|
| 783 | G | 67.9 | Low | 63.7 | Low | 64 Ų | 64 | 122.3 Ų | 122.3 | 66% | 0.66 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.9 | -13.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L781 N785 | L781-G783 VanDerWaalsContact C-N 3.31Å; L781-G783 PolarHBondContact O-N 3.48Å; G783-N785 PolarHBondContact O-N 2.82Å; G783-N785 VanDerWaalsContact O-N 3.11Å |
| 784 | S | 74.1 | Confident | 65.1 | Low | 37 Ų | 37 | 118.6 Ų | 118.6 | 26% | 0.259 | 61% | 0.61 | S | S | . | * | trans | -72 | 106.5 | 177 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | L781 V786 L787 Q788 | L781-S784 PolarHBondContact O-N 2.94Å; S784-V786 PolarHBondContact O-N 3.29Å; S784-V786 PolarHBondContact OG-N 2.67Å; S784-L787 PolarHBondContact O-N 2.9Å; S784-L787 PolarHBondContact OG-N 2.96Å; S784-L787 VanDerWaalsContact OG-N 3.15Å; S784-Q788 PolarHBondContact O-N 3.26Å | ||
| 785 | N | 75 | Confident | 66.2 | Low | 132 Ų | 132 | 113.3 Ų | 113.3 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -56.4 | -31.5 | 169.2 | -88.1 | -32.4 | 0 | 0 | 0 | 112.2 | G783 Q788 H789 | G783-N785 PolarHBondContact O-N 2.82Å; G783-N785 VanDerWaalsContact O-N 3.11Å; N785-Q788 PolarHBondContact O-N 3Å; N785-H789 WeakPolarHBondContact O-CB 3.39Å; N785-H789 PolarHBondContact O-N 3.06Å |
| 786 | V | 77.3 | Confident | 66.6 | Low | 96 Ų | 96 | 114.2 Ų | 114.2 | 58% | 0.582 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.8 | -44.3 | 174.8 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | S784 Q788 H789 W790 | S784-V786 PolarHBondContact O-N 3.29Å; S784-V786 PolarHBondContact OG-N 2.67Å; V786-Q788 PolarHBondContact O-N 3.34Å; V786-H789 PolarHBondContact O-N 3.06Å; V786-W790 VanDerWaalsContact O-CD1 3.31Å; V786-W790 PolarHBondContact O-N 2.95Å |
| 787 | L | 74.6 | Confident | 66.9 | Low | 97 Ų | 97 | 108.5 Ų | 108.5 | 51% | 0.508 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.1 | -41.8 | 177.1 | -171.1 | 66.6 | 0 | 0 | 0 | 111.5 | S784 H789 W790 Q791 | S784-L787 PolarHBondContact O-N 2.9Å; S784-L787 PolarHBondContact OG-N 2.96Å; S784-L787 VanDerWaalsContact OG-N 3.15Å; L787-H789 PolarHBondContact O-N 3.03Å; L787-W790 PolarHBondContact O-N 2.94Å; L787-Q791 WeakPolarHBondContact O-CB 3.26Å; L787-Q791 PolarHBondContact O-N 3.38Å |
| 788 | Q | 76.2 | Confident | 67 | Low | 69 Ų | 69 | 108.9 Ų | 108.9 | 32% | 0.322 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.7 | -42.1 | 172.8 | -69 | -162.3 | 35 | 0 | 0 | 111.9 | S784 N785 V786 Q791 H792 | S784-Q788 PolarHBondContact O-N 3.26Å; N785-Q788 PolarHBondContact O-N 3Å; V786-Q788 PolarHBondContact O-N 3.34Å; Q788-Q791 PolarHBondContact O-N 3.27Å; Q788-H792 WeakPolarHBondContact O-CB 3.47Å; Q788-H792 PolarHBondContact O-CD2 2.92Å; Q788-H792 PolarHBondContact O-N 3.49Å |
| 789 | H | 79.2 | Confident | 67.5 | Low | 118 Ų | 118 | 107.2 Ų | 107.2 | 55% | 0.546 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.7 | -46.7 | 178 | -172.8 | 76.7 | 0 | 0 | 0 | 111.8 | N785 V786 L787 Q791 H792 L793 | N785-H789 WeakPolarHBondContact O-CB 3.39Å; N785-H789 PolarHBondContact O-N 3.06Å; V786-H789 PolarHBondContact O-N 3.06Å; L787-H789 PolarHBondContact O-N 3.03Å; H789-Q791 VanDerWaalsContact C-N 3.34Å; H789-Q791 PolarHBondContact O-N 2.88Å; H789-H792 PolarHBondContact O-N 3.16Å; H789-L793 WeakPolarHBondContact O-CG 3.42Å; H789-L793 PolarHBondContact O-N 2.87Å; H789-L793 VanDerWaalsContact O-N 3.1Å |
| 790 | W | 74.5 | Confident | 67.5 | Low | 174 Ų | 174 | 104.4 Ų | 104.4 | 66% | 0.659 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63 | -38 | 174 | -83.2 | 88.4 | 0 | 0 | 0 | 112.4 | V786 L787 H792 L793 A794 | V786-W790 VanDerWaalsContact O-CD1 3.31Å; V786-W790 PolarHBondContact O-N 2.95Å; L787-W790 PolarHBondContact O-N 2.94Å; W790-H792 PolarHBondContact O-N 3.16Å; W790-L793 PolarHBondContact O-N 3.36Å; W790-A794 VanDerWaalsContact O-CB 3.25Å; W790-A794 WeakPolarHBondContact O-CB 3.49Å; W790-A794 PolarHBondContact O-N 3.48Å |
| 791 | Q | 78.1 | Confident | 67.8 | Low | 123 Ų | 123 | 103.8 Ų | 103.8 | 58% | 0.575 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.5 | -36.1 | 175.2 | -166.6 | 176.7 | 23.5 | 0 | 0 | 112.6 | L787 Q788 H789 L793 A794 T795 | L787-Q791 WeakPolarHBondContact O-CB 3.26Å; L787-Q791 PolarHBondContact O-N 3.38Å; Q788-Q791 PolarHBondContact O-N 3.27Å; H789-Q791 VanDerWaalsContact C-N 3.34Å; H789-Q791 PolarHBondContact O-N 2.88Å; Q791-L793 VanDerWaalsContact C-N 3.3Å; Q791-L793 PolarHBondContact O-N 3.04Å; Q791-A794 PolarHBondContact O-N 3.09Å; Q791-T795 HydrophobicContact CG-CG2 4.49Å; Q791-T795 WeakPolarHBondContact O-CB 3.36Å; Q791-T795 WeakPolarHBondContact O-CG2 3.37Å; Q791-T795 PolarHBondContact O-N 3.37Å; Q791-T795 VanDerWaalsContact O-N 3.13Å; Q791-T795 PolarHBondContact O-OG1 2.83Å |
| 792 | H | 74.2 | Confident | 68 | Low | 97 Ų | 97 | 103.4 Ų | 103.4 | 45% | 0.449 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.6 | -16.4 | 173.2 | -86.4 | -73 | 0 | 0 | 0 | 114.3 | Q788 H789 W790 R889 | Q788-H792 WeakPolarHBondContact O-CB 3.47Å; Q788-H792 PolarHBondContact O-CD2 2.92Å; Q788-H792 PolarHBondContact O-N 3.49Å; H789-H792 PolarHBondContact O-N 3.16Å; W790-H792 PolarHBondContact O-N 3.16Å; H792-R889 PolarHBondContact NE2-NH2 2.8Å |
| 793 | L | 72.6 | Confident | 68.2 | Low | 96 Ų | 96 | 104.2 Ų | 104.2 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -91.9 | -34.5 | 170.8 | -68.5 | 172 | 0 | 0 | 0 | 112.1 | H789 W790 Q791 | H789-L793 WeakPolarHBondContact O-CG 3.42Å; H789-L793 PolarHBondContact O-N 2.87Å; H789-L793 VanDerWaalsContact O-N 3.1Å; W790-L793 PolarHBondContact O-N 3.36Å; Q791-L793 VanDerWaalsContact C-N 3.3Å; Q791-L793 PolarHBondContact O-N 3.04Å |
| 794 | A | 74.9 | Confident | 67.8 | Low | 77 Ų | 77 | 105.9 Ų | 105.9 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -87 | -10 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | W790 Q791 P796 | W790-A794 VanDerWaalsContact O-CB 3.25Å; W790-A794 WeakPolarHBondContact O-CB 3.49Å; W790-A794 PolarHBondContact O-N 3.48Å; Q791-A794 PolarHBondContact O-N 3.09Å; A794-P796 WeakPolarHBondContact O-CD 3.35Å |
| 795 | T | 70.2 | Confident | 67 | Low | 81 Ų | 81 | 108.3 Ų | 108.3 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -93.6 | 110.6 | 176.5 | 42 | 0 | 0 | 0 | 0 | 111.4 | Q791 S797 | Q791-T795 HydrophobicContact CG-CG2 4.49Å; Q791-T795 WeakPolarHBondContact O-CB 3.36Å; Q791-T795 WeakPolarHBondContact O-CG2 3.37Å; Q791-T795 PolarHBondContact O-N 3.37Å; Q791-T795 VanDerWaalsContact O-N 3.13Å; Q791-T795 PolarHBondContact O-OG1 2.83Å; T795-S797 VanDerWaalsContact C-N 3.31Å; T795-S797 PolarHBondContact O-N 2.94Å |
| 796 | P | 57.5 | Low | 66.1 | Low | 129 Ų | 129 | 106.9 Ų | 106.9 | 84% | 0.838 | 58% | 0.581 | S | S | * | * | trans | -74.1 | 83.7 | 177.6 | 30.6 | -35.1 | 0 | 0 | 0 | 110.7 | A794 F798 | A794-P796 WeakPolarHBondContact O-CD 3.35Å; P796-F798 PolarHBondContact O-N 2.97Å; P796-F798 VanDerWaalsContact O-N 3.17Å | ||
| 797 | S | 57.5 | Low | 64.8 | Low | 55 Ų | 55 | 106.5 Ų | 106.5 | 39% | 0.385 | 58% | 0.575 | S | S | . | * | trans | -66.7 | 110.6 | 171 | 173.1 | 0 | 0 | 0 | 0 | 110 | T795 T799 R800 A801 | T795-S797 VanDerWaalsContact C-N 3.31Å; T795-S797 PolarHBondContact O-N 2.94Å; S797-T799 PolarHBondContact O-N 3.5Å; S797-R800 WeakPolarHBondContact O-CA 3.14Å; S797-R800 WeakPolarHBondContact O-CB 3.31Å; S797-R800 PolarHBondContact O-N 2.75Å; S797-R800 PolarHBondContact OG-N 2.89Å; S797-A801 PolarHBondContact O-N 3.18Å | ||
| 798 | F | 56.7 | Low | 64 | Low | 165 Ų | 165 | 108.5 Ų | 108.5 | 72% | 0.724 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -54.9 | -37.9 | 176.6 | -169.2 | -96.1 | 0 | 0 | 0 | 112 | P796 R800 A801 L802 | P796-F798 PolarHBondContact O-N 2.97Å; P796-F798 VanDerWaalsContact O-N 3.17Å; F798-R800 VanDerWaalsContact C-N 3.35Å; F798-R800 PolarHBondContact O-N 3.12Å; F798-A801 PolarHBondContact O-N 3.28Å; F798-L802 HydrophobicContact CD1-CD1 3.86Å; F798-L802 HydrophobicContact CE1-CD1 3.46Å; F798-L802 VanDerWaalsContact CE1-CD1 3.46Å; F798-L802 HydrophobicContact CZ-CD1 4.04Å; F798-L802 PolarHBondContact O-N 2.77Å |
| 799 | T | 61 | Low | 63.1 | Low | 95 Ų | 95 | 109.3 Ų | 109.3 | 58% | 0.583 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.5 | -40.4 | 173.6 | -40.9 | 0 | 0 | 0 | 0 | 112 | S797 L802 F803 | S797-T799 PolarHBondContact O-N 3.5Å; T799-L802 PolarHBondContact O-N 3.39Å; T799-F803 HydrophobicContact CG2-CD2 4.09Å; T799-F803 WeakPolarHBondContact O-CD2 3.3Å; T799-F803 PolarHBondContact O-N 3.5Å |
| 800 | R | 56.7 | Low | 61.6 | Low | 117 Ų | 117 | 108 Ų | 108 | 44% | 0.442 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.1 | -33.8 | -179.7 | -157 | 175.6 | -164.9 | -166.3 | -1.5 | 112.3 | S797 F798 L802 D804 | S797-R800 WeakPolarHBondContact O-CA 3.14Å; S797-R800 WeakPolarHBondContact O-CB 3.31Å; S797-R800 PolarHBondContact O-N 2.75Å; S797-R800 PolarHBondContact OG-N 2.89Å; F798-R800 VanDerWaalsContact C-N 3.35Å; F798-R800 PolarHBondContact O-N 3.12Å; R800-L802 PolarHBondContact O-N 2.92Å; R800-D804 HydrophobicContact CG-CB 3.77Å; R800-D804 VanDerWaalsContact CG-OD2 3.32Å; R800-D804 WeakPolarHBondContact CG-OD2 3.41Å; R800-D804 IonicContact NE-OD2 2.91Å; R800-D804 PolarHBondContact NE-OD2 3.21Å; R800-D804 VanDerWaalsContact NE-OD2 3.11Å; R800-D804 PolarHBondContact O-N 2.87Å |
| 801 | A | 55.9 | Low | 60.3 | Low | 89 Ų | 89 | 108.8 Ų | 108.8 | 74% | 0.736 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70 | -16.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S797 F798 | S797-A801 PolarHBondContact O-N 3.18Å; F798-A801 PolarHBondContact O-N 3.28Å |
| 802 | L | 55.6 | Low | 58.6 | Low | 108 Ų | 108 | 107.3 Ų | 107.3 | 57% | 0.565 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -106 | -25.3 | -178.6 | -78.1 | 170.2 | 0 | 0 | 0 | 114.8 | F798 T799 R800 | F798-L802 HydrophobicContact CD1-CD1 3.86Å; F798-L802 HydrophobicContact CE1-CD1 3.46Å; F798-L802 VanDerWaalsContact CE1-CD1 3.46Å; F798-L802 HydrophobicContact CZ-CD1 4.04Å; F798-L802 PolarHBondContact O-N 2.77Å; T799-L802 PolarHBondContact O-N 3.39Å; R800-L802 PolarHBondContact O-N 2.92Å |
| 803 | F | 63.4 | Low | 57.1 | Low | 170 Ų | 170 | 114.8 Ų | 114.8 | 75% | 0.746 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -127.7 | -18.3 | -169 | -62.8 | -72.7 | 0 | 0 | 0 | 115.9 | T799 | T799-F803 HydrophobicContact CG2-CD2 4.09Å; T799-F803 WeakPolarHBondContact O-CD2 3.3Å; T799-F803 PolarHBondContact O-N 3.5Å |
| 804 | D | 59.4 | Low | 55.6 | Low | 99 Ų | 99 | 114.7 Ų | 114.7 | 53% | 0.529 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -93.9 | 150.6 | 173.5 | -96.9 | -9.8 | 0 | 0 | 0 | 110.7 | R800 | R800-D804 HydrophobicContact CG-CB 3.77Å; R800-D804 VanDerWaalsContact CG-OD2 3.32Å; R800-D804 WeakPolarHBondContact CG-OD2 3.41Å; R800-D804 IonicContact NE-OD2 2.91Å; R800-D804 PolarHBondContact NE-OD2 3.21Å; R800-D804 VanDerWaalsContact NE-OD2 3.11Å; R800-D804 PolarHBondContact O-N 2.87Å |
| 805 | A | 57.3 | Low | 53.9 | Low | 87 Ų | 87 | 114.8 Ų | 114.8 | 72% | 0.719 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 149.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L807 | A805-L807 PolarHBondContact O-N 3.34Š|
| 806 | P | 54.6 | Low | 52.5 | Low | 102 Ų | 102 | 117.9 Ų | 117.9 | 66% | 0.662 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 136.8 | -175.9 | 22.3 | -33.9 | 0 | 0 | 0 | 112.5 | ||
| 807 | L | 51.7 | Low | 51.5 | Low | 88 Ų | 88 | 116.8 Ų | 116.8 | 46% | 0.461 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -54.5 | 129.8 | -177.7 | -74.4 | 161 | 0 | 0 | 0 | 111.3 | A805 G809 V810 | A805-L807 PolarHBondContact O-N 3.34Å; L807-G809 PolarHBondContact O-N 2.91Å; L807-V810 HydrophobicContact CB-CB 4.21Å; L807-V810 HydrophobicContact CB-CG2 4.17Å; L807-V810 PolarHBondContact O-N 2.93Å |
| 808 | P | 57.3 | Low | 50.5 | Low | 139 Ų | 139 | 122.2 Ų | 122.2 | 90% | 0.903 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 112.2 | 174.5 | -26.7 | 35.3 | 0 | 0 | 0 | 111.4 | ||
| 809 | G | 57 | Low | 49.6 | Very low | 87 Ų | 87 | 119.6 Ų | 119.6 | 90% | 0.897 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.1 | -6.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | L807 | L807-G809 PolarHBondContact O-N 2.91Š|
| 810 | V | 47.1 | Very low | 48.7 | Very low | 91 Ų | 91 | 121.7 Ų | 121.7 | 55% | 0.552 | 74% | 0.735 | S | S | * | * | trans | -116.4 | 112.8 | 177.2 | -174 | 0 | 0 | 0 | 0 | 110.6 | L807 | L807-V810 HydrophobicContact CB-CB 4.21Å; L807-V810 HydrophobicContact CB-CG2 4.17Å; L807-V810 PolarHBondContact O-N 2.93Å | ||
| 811 | Q | 47.6 | Very low | 47.8 | Very low | 190 Ų | 190 | 123.3 Ų | 123.3 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | trans | -98.9 | 97.2 | -176.7 | -165.2 | 171.2 | 24.3 | 0 | 0 | 111.2 | R813 | Q811-R813 PolarHBondContact O-N 3.02Å; Q811-R813 VanDerWaalsContact O-N 3.17Å | ||
| 812 | S | 43.5 | Very low | 47.1 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | trans | -61 | 113.3 | 178.7 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | A814 | S812-A814 PolarHBondContact O-N 3.18Š| ||
| 813 | R | 41.5 | Very low | 46.3 | Very low | 254 Ų | 254 | 127.1 Ų | 127.1 | 96% | 0.958 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -82.3 | 47.3 | -177.6 | -163.9 | -178.3 | 168.7 | -173 | -4.7 | 112.7 | Q811 | Q811-R813 PolarHBondContact O-N 3.02Å; Q811-R813 VanDerWaalsContact O-N 3.17Å |
| 814 | A | 42.1 | Very low | 44.8 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -151.9 | 117.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | S812 | S812-A814 PolarHBondContact O-N 3.18Š| ||
| 815 | G | 38.9 | Very low | 43.6 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | 150.7 | 121.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 816 | V | 39.3 | Very low | 42.3 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -77.4 | 149.3 | 178.4 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | D818 | V816-D818 PolarHBondContact O-N 3.11Š| ||
| 817 | S | 37.1 | Very low | 41.2 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -73.5 | 116.1 | -178.9 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 818 | D | 36.8 | Very low | 40.5 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -105.3 | 130.5 | 155.5 | -94.5 | -43.6 | 0 | 0 | 0 | 109.6 | V816 | V816-D818 PolarHBondContact O-N 3.11Š| ||
| 819 | S | 38.7 | Very low | 39.3 | Very low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -125.5 | 91.5 | -170.3 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 820 | T | 41.7 | Very low | 38.3 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -138.8 | 145.8 | 170.1 | 43 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 821 | N | 38.6 | Very low | 38 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | trans | -72.3 | 132.4 | -171.7 | -58.3 | -78.2 | 0 | 0 | 0 | 114.1 | ||||
| 822 | T | 39.5 | Very low | 37.3 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | trans | -143.6 | 103.2 | 139.8 | 42.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 823 | N | 39.2 | Very low | 36.9 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -82.8 | 112.8 | 169.5 | -80.2 | -37.8 | 0 | 0 | 0 | 109.8 | ||||
| 824 | C | 32.9 | Very low | 36.7 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -90.6 | 98.2 | 163.3 | -73.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 825 | L | 33.1 | Very low | 36.5 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -125.5 | 173.6 | 172.3 | -85 | 171.4 | 0 | 0 | 0 | 109.6 | ||||
| 826 | T | 31 | Very low | 36.4 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | trans | 82.6 | 126.4 | -171.5 | -36.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 827 | M | 30.5 | Very low | 36.3 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | cis | -102 | 117.9 | 33.8 | -67 | -71.8 | -77.4 | 0 | 0 | 116.3 | ||||
| 828 | A | 37.7 | Very low | 36.3 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -144.6 | 88.8 | 155 | 0 | 0 | 0 | 0 | 0 | 107.7 | A830 | A828-A830 PolarHBondContact O-N 3.48Š| ||
| 829 | S | 32.4 | Very low | 36.2 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -79.9 | 98.8 | -174.4 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 830 | A | 36.4 | Very low | 35.8 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -82.9 | 140.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A828 | A828-A830 PolarHBondContact O-N 3.48Š| ||
| 831 | T | 39.8 | Very low | 35.4 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -138.5 | 77.5 | 162.5 | 56.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 832 | D | 32.4 | Very low | 35.3 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -146.4 | 145.6 | 133.1 | -163.1 | 2.4 | 0 | 0 | 0 | 110.7 | ||
| 833 | S | 36.5 | Very low | 34.8 | Very low | 72 Ų | 72 | 134.4 Ų | 134.4 | 50% | 0.503 | 79% | 0.794 | S | S | . | * | trans | 60.7 | 83.3 | 154.9 | -75.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 834 | R | 36.4 | Very low | 34.7 | Very low | 227 Ų | 227 | 133.3 Ų | 133.3 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | 92 | 141.8 | 119 | -69.2 | 153.9 | -168.3 | -95.8 | -2.6 | 119.7 | |||||
| 835 | Q | 38.4 | Very low | 34.4 | Very low | 190 Ų | 190 | 132.3 Ų | 132.3 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | 83.1 | 90.9 | 162.1 | -68.6 | 172.4 | -0.3 | 0 | 0 | 119.8 | ||||
| 836 | R | 35.9 | Very low | 34.3 | Very low | 228 Ų | 228 | 132.7 Ų | 132.7 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -41.2 | 175.3 | 142.9 | -79.6 | 177.4 | 173 | 171.5 | -3.7 | 114.3 | V838 | R836-V838 HydrophobicContact CG-CG2 4.45Š| ||
| 837 | P | 37.6 | Very low | 34.3 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | cis | -121.4 | 163 | 5.6 | 11.5 | 15.2 | 0 | 0 | 0 | 113.9 | ||||
| 838 | V | 36.1 | Very low | 34.3 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | cis | 83.1 | 134.8 | 48.7 | -179.3 | 0 | 0 | 0 | 0 | 115.1 | R836 | R836-V838 HydrophobicContact CG-CG2 4.45Š| ||
| 839 | S | 34.7 | Very low | 34 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 107.7 | 119.9 | 160.1 | -79.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 840 | V | 31.8 | Very low | 34.1 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | trans | -16.2 | 148.4 | 150.4 | -71.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 841 | G | 32.9 | Very low | 33.9 | Very low | 77 Ų | 77 | 135.4 Ų | 135.4 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -173.2 | 121.7 | 165 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 842 | S | 36 | Very low | 33.6 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -46.6 | 162 | 178 | -46.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 843 | S | 29.8 | Very low | 33.6 | Very low | 119 Ų | 119 | 133 Ų | 133 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -54.1 | 158.3 | 165 | -38.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 844 | P | 36.9 | Very low | 33.6 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | -128.9 | 151.9 | 124 | 37.3 | -31.5 | 0 | 0 | 0 | 113.5 | |||||
| 845 | C | 26.5 | Very low | 33.1 | Very low | 109 Ų | 109 | 135 Ų | 135 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -88.5 | -154.5 | 158.9 | 52.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 846 | I | 30.9 | Very low | 32.7 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | 79.8 | 130.2 | 174.4 | -58 | 167.2 | 0 | 0 | 0 | 113.5 | ||||
| 847 | S | 30.3 | Very low | 32.6 | Very low | 88 Ų | 88 | 125.5 Ų | 125.5 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | cis | -168 | -177.7 | -11.9 | -103 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 848 | N | 30.5 | Very low | 32.1 | Very low | 159 Ų | 159 | 125 Ų | 125 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | 83.3 | 145.9 | 165.8 | -52.3 | -20.5 | 0 | 0 | 0 | 114.7 | ||||
| 849 | S | 31.5 | Very low | 32 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | cis | 171.3 | 147.6 | -16 | -166.1 | 0 | 0 | 0 | 0 | 102.6 | ||||
| 850 | S | 34.2 | Very low | 31.8 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | cis | -142.5 | 160.7 | 23.1 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 851 | Q | 32.2 | Very low | 32 | Very low | 178 Ų | 178 | 124.5 Ų | 124.5 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -75.8 | 145.5 | 165.9 | -55.2 | 156.9 | -15.4 | 0 | 0 | 110.5 | ||||
| 852 | V | 34.5 | Very low | 32.2 | Very low | 123 Ų | 123 | 129 Ų | 129 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | -153.1 | 119.2 | 133.5 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | L854 | V852-L854 HydrophobicContact CG1-CB 4.42Å; V852-L854 HydrophobicContact CG1-CD1 4.02Å; V852-L854 HydrophobicContact CG1-CG 4Å | ||
| 853 | P | 32.9 | Very low | 32.3 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | -118.9 | 100.5 | 162.2 | 33.9 | -20.8 | 0 | 0 | 0 | 111.6 | ||||
| 854 | L | 35.4 | Very low | 33 | Very low | 152 Ų | 152 | 128.3 Ų | 128.3 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | -139.2 | 126.1 | 172.3 | -60.9 | 171.2 | 0 | 0 | 0 | 106.3 | V852 | V852-L854 HydrophobicContact CG1-CB 4.42Å; V852-L854 HydrophobicContact CG1-CD1 4.02Å; V852-L854 HydrophobicContact CG1-CG 4Å | ||
| 855 | K | 25.5 | Very low | 33.1 | Very low | 188 Ų | 188 | 127.8 Ų | 127.8 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | cis | 70.8 | 81.8 | 40.3 | -161.1 | 174 | -177.6 | 175.7 | 0 | 114.7 | ||||
| 856 | C | 31.2 | Very low | 33.6 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | -124.7 | 123.8 | 143 | -73.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 857 | S | 33.5 | Very low | 34.1 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | 67.5 | 93.9 | 69.3 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 858 | S | 26.1 | Very low | 34.5 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | 80.2 | 91.4 | 56.4 | 80.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 859 | L | 34.2 | Very low | 34.7 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | trans | -146.1 | 130.2 | 148.3 | -73.2 | 179 | 0 | 0 | 0 | 105.7 | ||||
| 860 | T | 31 | Very low | 35.1 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | 72.2 | 119.4 | 52.3 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 861 | A | 35.3 | Very low | 34.9 | Very low | 74 Ų | 74 | 132.8 Ų | 132.8 | 61% | 0.612 | 77% | 0.773 | S | S | * | * | cis | -147.3 | -165.9 | -7.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 862 | H | 38.9 | Very low | 35.2 | Very low | 172 Ų | 172 | 129.2 Ų | 129.2 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | cis | -146.1 | 150.1 | 10.2 | -100.9 | -57.5 | 0 | 0 | 0 | 107.7 | ||||
| 863 | S | 36.3 | Very low | 35.2 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | 80.5 | 138.1 | 69 | -52.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 864 | P | 44.4 | Very low | 34.9 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -134.3 | -178.9 | -146.4 | 43 | -25.1 | 0 | 0 | 0 | 116.5 | ||||
| 865 | S | 39.1 | Very low | 34.7 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -166.4 | 154.4 | 159.7 | -95.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 866 | D | 38 | Very low | 35.2 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | cis | -167.5 | 173.3 | -23.4 | -124.3 | -55.4 | 0 | 0 | 0 | 114.7 | ||||
| 867 | L | 40.9 | Very low | 35.3 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | 68.9 | 151.5 | 157.6 | -96.9 | 68.7 | 0 | 0 | 0 | 120 | ||||
| 868 | P | 39.4 | Very low | 35.1 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | -152.4 | -163.6 | -109.5 | 46.1 | -24.4 | 0 | 0 | 0 | 118.6 | |||||
| 869 | H | 35.4 | Very low | 35.4 | Very low | 192 Ų | 192 | 142.1 Ų | 142.1 | 89% | 0.889 | 78% | 0.78 | S | S | * | * | trans | 84.2 | 121.7 | 155 | -82.8 | 48.5 | 0 | 0 | 0 | 119.7 | ||||
| 870 | G | 39.2 | Very low | 35.5 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | 160.3 | 50.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 871 | Q | 30 | Very low | 35.5 | Very low | 184 Ų | 184 | 140.4 Ų | 140.4 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -126.6 | 171.7 | 176.3 | -106.5 | -159.7 | -10.3 | 0 | 0 | 110.4 | ||||
| 872 | P | 38.1 | Very low | 35.2 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | cis | -110.5 | -136.6 | 2.8 | 26.1 | -1.9 | 0 | 0 | 0 | 110.3 | ||||
| 873 | N | 34.3 | Very low | 34.9 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | cis | -159.1 | -172.4 | 8.3 | -151.6 | -16.2 | 0 | 0 | 0 | 112.5 | ||||
| 874 | M | 27 | Very low | 34.6 | Very low | 161 Ų | 161 | 144 Ų | 144 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | -115.8 | 171.3 | -165 | -72.5 | -100.1 | -74.2 | 0 | 0 | 115.1 | ||||
| 875 | R | 31.8 | Very low | 34.1 | Very low | 225 Ų | 225 | 143.8 Ų | 143.8 | 85% | 0.849 | 77% | 0.773 | S | S | * | * | trans | 94.7 | 113.2 | 159.3 | -59.2 | 177.9 | 173.9 | 141.4 | -1.7 | 117.8 | V877 | R875-V877 HydrophobicContact CB-CG2 4.39Š| ||
| 876 | L | 34.6 | Very low | 33.7 | Very low | 182 Ų | 182 | 145.5 Ų | 145.5 | 95% | 0.953 | 77% | 0.774 | S | S | * | * | trans | -112.6 | 137.5 | 138.3 | -167.1 | 73.4 | 0 | 0 | 0 | 107.6 | ||||
| 877 | V | 34.3 | Very low | 33.3 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 65% | 0.648 | 79% | 0.785 | S | S | * | * | trans | -124.8 | 120.3 | -174.2 | 169.1 | 0 | 0 | 0 | 0 | 108.7 | R875 | R875-V877 HydrophobicContact CB-CG2 4.39Š| ||
| 878 | Q | 28 | Very low | 32.9 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | 23.9 | 119.8 | 139.6 | 175.1 | -169.3 | -22.7 | 0 | 0 | 118.3 | ||||
| 879 | E | 34.3 | Very low | 32.4 | Very low | 178 Ų | 178 | 151.4 Ų | 151.4 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -154.3 | 143 | 137.6 | -121.2 | -179 | 173.1 | 0 | 0 | 112.7 | ||||
| 880 | S | 35.8 | Very low | 32.2 | Very low | 102 Ų | 102 | 151.3 Ų | 151.3 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | 43.5 | 134.9 | 146.5 | -61.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 881 | L | 29.9 | Very low | 31.7 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | cis | -159.5 | 157.5 | -3.8 | -179.3 | 59.7 | 0 | 0 | 0 | 110.1 | ||||
| 882 | E | 30.2 | Very low | 31.8 | Very low | 141 Ų | 141 | 151.1 Ų | 151.1 | 66% | 0.659 | 78% | 0.775 | S | S | * | * | trans | -66.7 | 142.1 | 179.3 | -35.9 | 161.9 | 127.9 | 0 | 0 | 113.7 | ||||
| 883 | K | 32.6 | Very low | 31.3 | Very low | 168 Ų | 168 | 151.8 Ų | 151.8 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | 165.7 | 169.7 | 113.6 | -90.9 | 149.5 | 179 | 109.7 | 0 | 113.4 | |||||
| 884 | C | 30.2 | Very low | 30.9 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | 70.7 | 70.1 | 169.2 | -60.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 885 | T | 34 | Very low | 30.8 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | 22.5 | 147.5 | 120.8 | 57.7 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 886 | N | 30.4 | Very low | 30.6 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | 93.4 | 70 | 163.8 | -50.7 | -48.2 | 0 | 0 | 0 | 116.7 | N888 | N886-N888 PolarHBondContact O-N 2.82Š| ||
| 887 | L | 29 | Very low | 30.2 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | -66.8 | 115.4 | 144.7 | -77 | 84.4 | 0 | 0 | 0 | 108.2 | ||||
| 888 | N | 33.2 | Very low | 30 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -157.6 | 139.3 | 157.9 | -125.2 | -48.1 | 0 | 0 | 0 | 112.4 | N886 | N886-N888 PolarHBondContact O-N 2.82Š| ||
| 889 | R | 28.5 | Very low | 30.3 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 62% | 0.619 | 78% | 0.783 | S | S | * | * | trans | 55 | 82.3 | 168.8 | -161 | 176.2 | -65 | -148.6 | 5.1 | 116.8 | H792 | H792-R889 PolarHBondContact NE2-NH2 2.8Š| ||
| 890 | F | 29.9 | Very low | 30.1 | Very low | 190 Ų | 190 | 142.4 Ų | 142.4 | 83% | 0.833 | 78% | 0.779 | S | S | * | * | trans | -56.7 | 134.6 | 151.5 | -97.5 | -91 | 0 | 0 | 0 | 110 | ||||
| 891 | G | 29.3 | Very low | 30.1 | Very low | 60 Ų | 60 | 145.5 Ų | 145.5 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | trans | -102.7 | 146.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 892 | F | 31.5 | Very low | 30.2 | Very low | 204 Ų | 204 | 141.5 Ų | 141.5 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -98.3 | 90.8 | 175.7 | -80.6 | -75.3 | 0 | 0 | 0 | 111.1 | ||||
| 893 | S | 29.4 | Very low | 30.4 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -90.9 | 165.3 | 157.4 | 50.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 894 | S | 24 | Very low | 30.4 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -72.6 | 160.7 | -163.4 | -167.6 | 0 | 0 | 0 | 0 | 116 | ||
| 895 | S | 25.1 | Very low | 30.7 | Very low | 104 Ų | 104 | 147.4 Ų | 147.4 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 78.6 | 96.5 | 150 | -53.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 896 | T | 28.7 | Very low | 30.6 | Very low | 145 Ų | 145 | 152.4 Ų | 152.4 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | trans | -138.1 | 105.2 | 149 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 897 | C | 25.9 | Very low | 30.9 | Very low | 103 Ų | 103 | 150.7 Ų | 150.7 | 70% | 0.696 | 81% | 0.813 | S | S | * | * | trans | -98.8 | 179.2 | 146.8 | 58.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 898 | F | 29.6 | Very low | 31.2 | Very low | 196 Ų | 196 | 149.6 Ų | 149.6 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | 68.3 | 99.9 | -167.1 | -50.5 | -78.3 | 0 | 0 | 0 | 115.1 | ||||
| 899 | L | 34.9 | Very low | 31.1 | Very low | 181 Ų | 181 | 149.8 Ų | 149.8 | 95% | 0.948 | 81% | 0.809 | S | S | * | * | -149.6 | 142.4 | 106.7 | -99 | 174.9 | 0 | 0 | 0 | 108.1 | |||||
| 900 | N | 29.2 | Very low | 31.6 | Very low | 142 Ų | 142 | 150.8 Ų | 150.8 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | trans | -145.4 | 121.2 | -173.4 | -174.8 | 8.1 | 0 | 0 | 0 | 109.9 | ||||
| 901 | N | 35.8 | Very low | 31.8 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | trans | -170.8 | 128.1 | 153.2 | -97.9 | -31.8 | 0 | 0 | 0 | 108.5 | ||||
| 902 | G | 33 | Very low | 31.9 | Very low | 71 Ų | 71 | 154.3 Ų | 154.3 | 73% | 0.732 | 84% | 0.837 | S | S | * | * | trans | -100 | 169.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 903 | L | 34.9 | Very low | 32.1 | Very low | 186 Ų | 186 | 149.6 Ų | 149.6 | 97% | 0.974 | 84% | 0.836 | S | S | * | * | trans | -111.7 | 143 | 159.4 | -74.2 | 172.5 | 0 | 0 | 0 | 109.3 | ||||
| 904 | R | 32.6 | Very low | 32.2 | Very low | 220 Ų | 220 | 147.3 Ų | 147.3 | 83% | 0.83 | 83% | 0.831 | S | S | * | * | trans | -94.2 | 137.3 | 178.4 | -74.4 | 175.4 | 164.3 | -170.3 | -2.8 | 110.8 | ||||
| 905 | T | 35.3 | Very low | 32.6 | Very low | 143 Ų | 143 | 148 Ų | 148 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | trans | -129.1 | 155.3 | 146.9 | 46.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 906 | R | 33.2 | Very low | 32.9 | Very low | 222 Ų | 222 | 148.9 Ų | 148.9 | 84% | 0.838 | 84% | 0.842 | S | S | * | * | trans | -139.9 | 156.3 | -178.8 | -85.4 | -173.9 | 163.8 | -150.5 | -5.9 | 109.3 | ||||
| 907 | S | 36 | Very low | 33 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 77% | 0.769 | 84% | 0.84 | S | S | * | * | trans | 103.7 | 114.8 | 166.2 | -167 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 908 | L | 34.5 | Very low | 33.2 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 80% | 0.801 | 84% | 0.841 | S | S | * | * | 180 | 90.1 | 87.5 | -172.4 | 80.8 | 0 | 0 | 0 | 111.2 | |||||
| 909 | D | 31.4 | Very low | 33.2 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 85% | 0.845 | 84% | 0.836 | S | S | * | * | trans | -118.6 | 104.8 | 175.8 | -74.2 | -64.1 | 0 | 0 | 0 | 111.8 | ||||
| 910 | H | 38.8 | Very low | 33.1 | Very low | 186 Ų | 186 | 145 Ų | 145 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | -154.7 | 143.2 | 164.1 | -90.1 | -79.4 | 0 | 0 | 0 | 108.1 | ||||
| 911 | L | 34.1 | Very low | 33.1 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | trans | 70 | 103.3 | -168.9 | -49.1 | 163.5 | 0 | 0 | 0 | 111.4 | ||||
| 912 | V | 32.9 | Very low | 33 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | -146.7 | 137.7 | 67.4 | 156 | 0 | 0 | 0 | 0 | 111 | |||||
| 913 | A | 34 | Very low | 33.1 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | -138 | 128.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 914 | G | 31.8 | Very low | 33.2 | Very low | 69 Ų | 69 | 145.9 Ų | 145.9 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | 154.1 | 60.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 915 | S | 33.3 | Very low | 33.3 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -158 | 95.2 | 165 | -79.4 | 0 | 0 | 0 | 0 | 109.2 | S917 | S915-S917 PolarHBondContact O-N 3.01Š| ||
| 916 | S | 31.3 | Very low | 33.3 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -85.4 | 105.6 | -170 | -56 | 0 | 0 | 0 | 0 | 112.2 | S918 | S916-S918 PolarHBondContact O-N 2.79Š| ||
| 917 | S | 31.4 | Very low | 33.1 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -75.6 | 97.7 | 165.8 | 57 | 0 | 0 | 0 | 0 | 110.3 | S915 S919 | S915-S917 PolarHBondContact O-N 3.01Å; S917-S919 PolarHBondContact O-N 3.21Å; S917-S919 VanDerWaalsContact O-N 3.13Å | ||
| 918 | S | 29.8 | Very low | 33.1 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | -71.2 | 103.5 | 177.2 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | S916 | S916-S918 PolarHBondContact O-N 2.79Š| ||
| 919 | S | 28.1 | Very low | 32.7 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -110.3 | 118.3 | 163.6 | -172.9 | 0 | 0 | 0 | 0 | 108.5 | S917 | S917-S919 PolarHBondContact O-N 3.21Å; S917-S919 VanDerWaalsContact O-N 3.13Å | ||
| 920 | Y | 33.3 | Very low | 32.8 | Very low | 211 Ų | 211 | 143.2 Ų | 143.2 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -118.7 | 116.3 | -179.7 | -110.7 | -80.2 | 0 | 0 | 0 | 110 | ||||
| 921 | N | 28.9 | Very low | 32.2 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -124.8 | 133.2 | 155.3 | -75.7 | -48.6 | 0 | 0 | 0 | 105.8 | ||||
| 922 | D | 34.1 | Very low | 32 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 65% | 0.652 | 80% | 0.795 | S | S | * | * | -164 | 179.7 | 89.8 | -149.5 | -5 | 0 | 0 | 0 | 111.2 | |||||
| 923 | K | 34.7 | Very low | 31.7 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 65% | 0.652 | 79% | 0.786 | S | S | * | * | trans | -66.4 | 153.7 | -172.3 | -38.5 | 106.9 | -167.9 | 139.8 | 0 | 113.3 | ||||
| 924 | D | 37.9 | Very low | 31.5 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | -145.8 | 148.4 | 121.6 | -138.8 | -23.8 | 0 | 0 | 0 | 110.7 | |||||
| 925 | S | 33.4 | Very low | 31.6 | Very low | 93 Ų | 93 | 147.5 Ų | 147.5 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | trans | -134.2 | 122.2 | -167.1 | 64.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 926 | N | 36.1 | Very low | 31.6 | Very low | 149 Ų | 149 | 151.1 Ų | 151.1 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -164.4 | 115.1 | 154.6 | -109.1 | -55.4 | 0 | 0 | 0 | 115.6 | ||||
| 927 | N | 30.2 | Very low | 31.4 | Very low | 139 Ų | 139 | 152.3 Ų | 152.3 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 26.6 | 104.2 | 140 | -65.6 | -61.3 | 0 | 0 | 0 | 120.4 | ||||
| 928 | K | 35.7 | Very low | 31.6 | Very low | 204 Ų | 204 | 155.3 Ų | 155.3 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | -177.7 | 141.5 | 100.4 | -100 | 170.2 | -178 | 176 | 0 | 114.1 | |||||
| 929 | F | 25.1 | Very low | 31.9 | Very low | 205 Ų | 205 | 154.8 Ų | 154.8 | 90% | 0.899 | 78% | 0.784 | S | S | * | * | trans | -66.9 | 128.6 | 160.8 | -88.4 | -115.4 | 0 | 0 | 0 | 110.6 | ||||
| 930 | I | 33.4 | Very low | 32 | Very low | 159 Ų | 159 | 158.2 Ų | 158.2 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | trans | -136.4 | 131.4 | 134.9 | -66.5 | -169.6 | 0 | 0 | 0 | 107.9 | F932 | I930-F932 HydrophobicContact CG2-CD2 4.44Š| ||
| 931 | Q | 26.4 | Very low | 32.2 | Very low | 154 Ų | 154 | 153.9 Ų | 153.9 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -93.5 | 132.5 | 177.9 | 168.8 | -171.6 | 0.8 | 0 | 0 | 109.5 | ||||
| 932 | F | 29.8 | Very low | 32.5 | Very low | 196 Ų | 196 | 152.8 Ų | 152.8 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -145.9 | 136.4 | 159.4 | -111.8 | -79.1 | 0 | 0 | 0 | 111.9 | I930 | I930-F932 HydrophobicContact CG2-CD2 4.44Š| ||
| 933 | N | 26.7 | Very low | 32.5 | Very low | 130 Ų | 130 | 155.4 Ų | 155.4 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | trans | -112.1 | 170.4 | 177.8 | -86.2 | -28.5 | 0 | 0 | 0 | 110.5 | ||||
| 934 | Q | 30.8 | Very low | 32.5 | Very low | 189 Ų | 189 | 152.5 Ų | 152.5 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | 93.7 | 148 | 158.8 | -62.6 | -161.1 | -57.1 | 0 | 0 | 119.2 | ||||
| 935 | P | 33.9 | Very low | 32.3 | Very low | 104 Ų | 104 | 149 Ų | 149 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | trans | -111.5 | -172.6 | -167.2 | 43.9 | -32.9 | 0 | 0 | 0 | 112.8 | ||||
| 936 | F | 32.2 | Very low | 32.6 | Very low | 200 Ų | 200 | 150.7 Ų | 150.7 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -136.8 | 126.5 | 164.2 | -93.5 | -88.1 | 0 | 0 | 0 | 111.8 | ||||
| 937 | D | 27.5 | Very low | 32.3 | Very low | 148 Ų | 148 | 148.1 Ų | 148.1 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -74.6 | 160.4 | 161.1 | -71.4 | -71.4 | 0 | 0 | 0 | 111.1 | ||||
| 938 | H | 35.3 | Very low | 32.4 | Very low | 183 Ų | 183 | 146.2 Ų | 146.2 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | -165.2 | 133.9 | 132.8 | -105.3 | -59.2 | 0 | 0 | 0 | 115.6 | ||||
| 939 | A | 36.3 | Very low | 32.2 | Very low | 91 Ų | 91 | 145.8 Ų | 145.8 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | 68.7 | 99.2 | 141 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 940 | K | 30.1 | Very low | 32.4 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -30.5 | 152.5 | 152.1 | -59.5 | 177.5 | 166.5 | -161.7 | 0 | 117.6 | ||||
| 941 | S | 36.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | -147.1 | 152.6 | 119.8 | 44.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 942 | D | 36.4 | Very low | 32.4 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | trans | -97.1 | 151.1 | -170.5 | -47.7 | -94.8 | 0 | 0 | 0 | 112 | ||||
| 943 | E | 34.1 | Very low | 32.5 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | -172.9 | 148.4 | 106 | -108.8 | -148 | 83.9 | 0 | 0 | 117.8 | |||||
| 944 | S | 33.8 | Very low | 32.7 | Very low | 89 Ų | 89 | 135.8 Ų | 135.8 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | trans | 21.8 | 121.9 | 153.9 | 53.7 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 945 | A | 34.4 | Very low | 32.6 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | 76.5 | 94.8 | 127.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 946 | S | 38.6 | Very low | 32.6 | Very low | 128 Ų | 128 | 135 Ų | 135 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | -157.3 | 125.8 | 115.1 | -82.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 947 | S | 30.6 | Very low | 32.6 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | trans | -75.9 | 160.7 | 177.1 | -161.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 948 | S | 33.3 | Very low | 32.9 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | cis | -152.9 | 132.7 | 7.4 | -14.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 949 | Y | 30.9 | Very low | 32.8 | Very low | 195 Ų | 195 | 129.6 Ų | 129.6 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | 79.1 | 94.2 | 72.4 | -62.6 | -49.6 | 0 | 0 | 0 | 117.3 | |||||
| 950 | L | 29.4 | Very low | 32.6 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | 80.9 | 143.4 | 114.5 | -70.8 | 170 | 0 | 0 | 0 | 123.7 | |||||
| 951 | T | 29.1 | Very low | 32.9 | Very low | 87 Ų | 87 | 126.2 Ų | 126.2 | 53% | 0.534 | 76% | 0.759 | S | S | . | * | trans | 72.4 | 109.1 | 141 | 46 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 952 | S | 29.7 | Very low | 32.8 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | -22.5 | 133 | 127.2 | 51.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 953 | F | 32.5 | Very low | 32.8 | Very low | 193 Ų | 193 | 130.9 Ų | 130.9 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -124.4 | 157.2 | 166.8 | -94.1 | -89.5 | 0 | 0 | 0 | 111.7 | ||||
| 954 | S | 30.8 | Very low | 32.9 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -131.2 | 143.8 | -175.1 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 955 | L | 29.7 | Very low | 33 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | 62.5 | 141.1 | 162.9 | -70 | 168.6 | 0 | 0 | 0 | 121 | ||||
| 956 | T | 32.2 | Very low | 32.8 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 50.5 | 93.4 | 146 | 55.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 957 | S | 32.6 | Very low | 32.4 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | -167.2 | 99.2 | 129.2 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 958 | L | 34.9 | Very low | 32.3 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -173.2 | 78.2 | 152.9 | -110.5 | 165.5 | 0 | 0 | 0 | 111.7 | ||||
| 959 | V | 31.6 | Very low | 32.3 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -116.9 | 148.8 | 159.6 | 177.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 960 | S | 33.3 | Very low | 32.3 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 79.3 | 76.6 | 178.1 | -50.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 961 | A | 35.9 | Very low | 32.6 | Very low | 83 Ų | 83 | 132.5 Ų | 132.5 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | trans | -146.7 | 104.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 962 | L | 35.2 | Very low | 32.9 | Very low | 175 Ų | 175 | 132.6 Ų | 132.6 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | 64.9 | 103.7 | 154.5 | -53.3 | 176.9 | 0 | 0 | 0 | 119.4 | ||||
| 963 | L | 36.2 | Very low | 33.1 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -77.6 | 170.7 | 163 | -110.2 | 72.4 | 0 | 0 | 0 | 112.2 | ||||
| 964 | P | 35.9 | Very low | 33.1 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -96.8 | 156.3 | -154.9 | 37.3 | -38.5 | 0 | 0 | 0 | 116.3 | ||||
| 965 | F | 36.2 | Very low | 33.2 | Very low | 190 Ų | 190 | 129 Ų | 129 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | trans | -143.3 | 110.5 | 166.1 | -83.2 | -76.3 | 0 | 0 | 0 | 114.6 | ||||
| 966 | T | 30.8 | Very low | 33.1 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | trans | 57.2 | 133.6 | 130.5 | 58.4 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 967 | T | 29 | Very low | 33.2 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | trans | 78 | 111.8 | 134.3 | 49.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 968 | T | 29.1 | Very low | 33 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | 74.9 | 117.9 | 123.6 | -45.4 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 969 | V | 33.9 | Very low | 33.1 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | -179.1 | 133.7 | 110.9 | 154.7 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 970 | L | 30.1 | Very low | 33.3 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -108.9 | 140.2 | 169.8 | -167.6 | 89 | 0 | 0 | 0 | 108.9 | ||||
| 971 | P | 36.1 | Very low | 33.1 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | -149.7 | 168.7 | 119.6 | 35 | -18.3 | 0 | 0 | 0 | 113.6 | |||||
| 972 | S | 34.5 | Very low | 33 | Very low | 89 Ų | 89 | 131.9 Ų | 131.9 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | cis | -177.6 | 152.7 | -24.8 | 57 | 0 | 0 | 0 | 0 | 110 | ||||
| 973 | S | 33.9 | Very low | 32.7 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | 66.1 | 156.9 | 163.2 | 71.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 974 | V | 33.8 | Very low | 32.7 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | cis | -140 | 150 | 19.8 | -145.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 975 | S | 32.3 | Very low | 32.5 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | 26.3 | 116.9 | 155.9 | 56.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 976 | S | 28.5 | Very low | 32.5 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | 72.8 | 115.3 | 61.8 | 178 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 977 | F | 32.9 | Very low | 32.5 | Very low | 203 Ų | 203 | 132.3 Ų | 132.3 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | -174.2 | 118.2 | 127 | -102.7 | -66.7 | 0 | 0 | 0 | 113 | |||||
| 978 | D | 27.9 | Very low | 32.7 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -74.6 | 158.6 | 151.2 | -123.4 | -43.5 | 0 | 0 | 0 | 108.1 | ||||
| 979 | P | 38.8 | Very low | 32.8 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | -156.7 | 165.1 | 59 | 42 | -20.5 | 0 | 0 | 0 | 119.5 | |||||
| 980 | K | 34.5 | Very low | 32.8 | Very low | 192 Ų | 192 | 135.8 Ų | 135.8 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | 11.3 | 108.2 | 139.2 | -58.3 | 174.1 | -177 | 173.7 | 0 | 119.7 | ||||
| 981 | G | 29 | Very low | 32.9 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | 63 | 107.7 | 122.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 982 | V | 34.5 | Very low | 32.8 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | -137.8 | 138.2 | 160.1 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | I984 | V982-I984 HydrophobicContact CG1-CG1 4.3Š| ||
| 983 | T | 28.6 | Very low | 32.7 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -84.9 | 127.6 | 174.2 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 984 | I | 36.5 | Very low | 32.7 | Very low | 135 Ų | 135 | 140 Ų | 140 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | -134 | 121.9 | 167.9 | -58.8 | -176.8 | 0 | 0 | 0 | 110.7 | V982 | V982-I984 HydrophobicContact CG1-CG1 4.3Š| ||
| 985 | N | 32 | Very low | 32.8 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | -90.6 | 117 | 169.7 | -69.4 | -60.1 | 0 | 0 | 0 | 109.9 | K987 | N985-K987 PolarHBondContact O-N 2.97Š| ||
| 986 | N | 35.3 | Very low | 32.9 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -91.7 | 80.4 | 172.4 | -86.5 | -8.3 | 0 | 0 | 0 | 112.2 | ||||
| 987 | K | 30.3 | Very low | 33.1 | Very low | 195 Ų | 195 | 145.7 Ų | 145.7 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | -121.4 | 87.4 | 160.8 | -177.1 | -174.2 | 179.8 | 177.7 | 0 | 108.8 | N985 | N985-K987 PolarHBondContact O-N 2.97Š| ||
| 988 | L | 33.5 | Very low | 33 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -131 | 115.1 | 169.2 | -167.8 | 56.3 | 0 | 0 | 0 | 112 | ||||
| 989 | T | 31.4 | Very low | 33.3 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 63% | 0.632 | 78% | 0.778 | S | S | * | * | trans | -81.9 | 150.1 | 169.7 | 48.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 990 | K | 34.6 | Very low | 32.9 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | 163.5 | 133.3 | 119.4 | -90 | 165.1 | -177.4 | 178.1 | 0 | 112.8 | |||||
| 991 | T | 32.6 | Very low | 32.9 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | 40.9 | 144.9 | 135.1 | 72.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 992 | K | 33.2 | Very low | 32.9 | Very low | 172 Ų | 172 | 149 Ų | 149 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | -177.3 | 148.9 | 41.9 | -161 | -163.9 | 175.7 | -173.2 | 0 | 110.7 | ||||
| 993 | T | 32.3 | Very low | 32.7 | Very low | 104 Ų | 104 | 147.5 Ų | 147.5 | 64% | 0.638 | 77% | 0.774 | S | S | * | * | trans | 61.5 | 155.6 | 158.6 | 34.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 994 | Q | 34.7 | Very low | 32.9 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | cis | -150.5 | -168.7 | -5.5 | -135.1 | 164.9 | -37.7 | 0 | 0 | 110.3 | ||||
| 995 | H | 34.6 | Very low | 32.4 | Very low | 173 Ų | 173 | 150.6 Ų | 150.6 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | trans | -25.1 | 154.9 | 172.9 | -54.2 | -80 | 0 | 0 | 0 | 118.2 | ||||
| 996 | G | 34.5 | Very low | 32.8 | Very low | 68 Ų | 68 | 149.2 Ų | 149.2 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | cis | 153.6 | 171.2 | 2.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 997 | E | 33.4 | Very low | 32.7 | Very low | 203 Ų | 203 | 146.3 Ų | 146.3 | 95% | 0.949 | 78% | 0.776 | S | S | * | * | trans | 61.5 | 133.1 | 170.2 | -64.2 | -172 | 120.4 | 0 | 0 | 120.8 | ||||
| 998 | S | 30 | Very low | 32.9 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -67.5 | 147.5 | 175.2 | 172.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 999 | T | 35.1 | Very low | 33 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -161.3 | 145 | 134 | 5.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1000 | H | 31.2 | Very low | 33.2 | Very low | 168 Ų | 168 | 140 Ų | 140 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | trans | -14.1 | 163.6 | 148.9 | -98.5 | -81.3 | 0 | 0 | 0 | 121.5 | ||||
| 1001 | I | 32.9 | Very low | 33.2 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | 87.9 | 108.9 | 148.4 | -72.6 | 155.7 | 0 | 0 | 0 | 118.6 | ||||
| 1002 | R | 30.7 | Very low | 33.2 | Very low | 230 Ų | 230 | 136.1 Ų | 136.1 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | 52.7 | 139.3 | 121.7 | -158.4 | -178.1 | -174.1 | 174.5 | 3.7 | 120.8 | |||||
| 1003 | S | 29.8 | Very low | 33.4 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -48.3 | 152.9 | 173.6 | 51.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1004 | K | 31.8 | Very low | 33.7 | Very low | 210 Ų | 210 | 134 Ų | 134 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | trans | -158.8 | 151.2 | 148.1 | -114.1 | 169.1 | -173.8 | 178.4 | 0 | 112.7 | ||||
| 1005 | C | 26.7 | Very low | 33.7 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -97.3 | 162.5 | 175.9 | -41.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1006 | P | 40.5 | Very low | 33.9 | Very low | 116 Ų | 116 | 130 Ų | 130 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -78.5 | 160.3 | 147.3 | 35.4 | -31.9 | 0 | 0 | 0 | 110.3 | ||||
| 1007 | S | 33.5 | Very low | 34 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | cis | 172.6 | 149.8 | -37.8 | 45.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1008 | S | 34.9 | Very low | 34.1 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 69.8 | 144.6 | -178.3 | 79.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1009 | S | 35.2 | Very low | 34.4 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | cis | -171.4 | 149.3 | -16.8 | 46.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1010 | S | 34.5 | Very low | 34.6 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 58.2 | 135.7 | 145.9 | 175.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1011 | T | 36 | Very low | 34.9 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | cis | -160.7 | 163.1 | -5.6 | -82.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1012 | A | 31.7 | Very low | 35.2 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -83.6 | 157.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1013 | A | 37.9 | Very low | 35.4 | Very low | 91 Ų | 91 | 124.5 Ų | 124.5 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | 162.1 | 119.6 | 132 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1014 | T | 38.1 | Very low | 35.7 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 87% | 0.871 | 78% | 0.777 | S | S | * | * | trans | 2.1 | 134.5 | 145.1 | 54.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 1015 | G | 34.5 | Very low | 35.9 | Very low | 81 Ų | 81 | 124 Ų | 124 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | 179.1 | 120.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1016 | L | 38.2 | Very low | 36.3 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | -78.2 | 160.3 | -177.3 | -72.1 | 159.9 | 0 | 0 | 0 | 114.9 | ||||
| 1017 | Q | 37.1 | Very low | 35.9 | Very low | 179 Ų | 179 | 128 Ų | 128 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | 69.6 | 132.1 | 148.9 | -120.4 | 70.5 | 6.6 | 0 | 0 | 121.4 | ||||
| 1018 | G | 36.5 | Very low | 36 | Very low | 67 Ų | 67 | 130.7 Ų | 130.7 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | 148.2 | 90.4 | 143.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1019 | L | 35.7 | Very low | 35.8 | Very low | 157 Ų | 157 | 129 Ų | 129 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | 62.3 | 121.7 | 140.9 | -87.2 | 66.5 | 0 | 0 | 0 | 123.8 | ||||
| 1020 | L | 38.8 | Very low | 35.6 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | 83 | 118 | 134.7 | -61.5 | 174 | 0 | 0 | 0 | 123 | ||||
| 1021 | D | 37.9 | Very low | 35.6 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | 42.2 | 129.3 | 136.9 | -57.3 | -19.6 | 0 | 0 | 0 | 120.3 | ||||
| 1022 | V | 38.4 | Very low | 35.4 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | -151 | 138 | 62.4 | 157 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1023 | N | 35.8 | Very low | 35.3 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | 16.6 | 139 | 147.7 | -53.4 | -44 | 0 | 0 | 0 | 119.7 | ||||
| 1024 | K | 35 | Very low | 35.2 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 70% | 0.7 | 76% | 0.761 | S | S | * | * | cis | -162.5 | 146.4 | 18.2 | -158.2 | 160.6 | 166.1 | 169.5 | 0 | 112.5 | ||||
| 1025 | E | 36.5 | Very low | 34.9 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 66% | 0.659 | 74% | 0.742 | S | S | * | * | trans | 24.2 | 133.1 | 150 | -57.6 | 167.1 | 177.4 | 0 | 0 | 120.3 | ||||
| 1026 | Y | 34.7 | Very low | 34.7 | Very low | 204 Ų | 204 | 142 Ų | 142 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | cis | -155.4 | 145.6 | -9.7 | -117 | -64.2 | 0 | 0 | 0 | 108.3 | ||||
| 1027 | S | 33.8 | Very low | 34.4 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -157.1 | 124.2 | 168.9 | -72.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1028 | D | 34.1 | Very low | 34.1 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | -162.7 | 153.6 | 161.3 | -99.6 | -37.2 | 0 | 0 | 0 | 108.4 | ||||
| 1029 | S | 32 | Very low | 34 | Very low | 81 Ų | 81 | 140 Ų | 140 | 57% | 0.566 | 74% | 0.743 | S | S | * | * | cis | 144.6 | 116.1 | -21.9 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1030 | S | 30.6 | Very low | 33.7 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | trans | 46 | 109.6 | 143.2 | -44 | 0 | 0 | 0 | 0 | 120 | ||||
| 1031 | K | 34.3 | Very low | 33.6 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | 179.4 | 121.5 | 130.6 | -83.6 | 131.1 | -146.9 | 132.3 | 0 | 106.8 | ||||
| 1032 | S | 31 | Very low | 33.2 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | 70.2 | 134.8 | 53.5 | 82.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1033 | L | 30.2 | Very low | 33.3 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | 71.6 | 108.6 | 171.9 | -67.7 | 151.6 | 0 | 0 | 0 | 117.8 | ||||
| 1034 | L | 35.7 | Very low | 33.1 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 82% | 0.817 | 74% | 0.735 | S | S | * | * | 160.6 | 104.7 | 120.9 | -83.4 | 173.2 | 0 | 0 | 0 | 108.5 | |||||
| 1035 | H | 31.6 | Very low | 33.2 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 46% | 0.463 | 75% | 0.745 | S | S | . | * | 47.9 | 90.8 | 78.3 | -75.1 | -29.1 | 0 | 0 | 0 | 116 | K268 | K268-H1035 PolarHBondContact NZ-CD2 2.83Å; K268-H1035 VanDerWaalsContact NZ-CD2 3.34Å; K268-H1035 PolarHBondContact NZ-CE1 3.28Å; K268-H1035 VanDerWaalsContact NZ-CE1 3.32Å; K268-H1035 PolarHBondContact NZ-NE2 3.03Å | |||
| 1036 | R | 31.5 | Very low | 32.9 | Very low | 234 Ų | 234 | 140.3 Ų | 140.3 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | 177.6 | 110.1 | 127.1 | -96.3 | -177.5 | 161.5 | 176.2 | -5 | 108.3 | |||||
| 1037 | T | 31.8 | Very low | 32.9 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | 54.6 | 101.2 | 83.4 | 68.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1038 | S | 30.3 | Very low | 33 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | 29 | 110.7 | 133.7 | -42.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 1039 | T | 34.7 | Very low | 33.4 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | trans | -136.4 | 137.3 | 139.6 | 43.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1040 | S | 29.8 | Very low | 33.9 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -68.4 | 144.3 | 173.4 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1041 | K | 36.6 | Very low | 34 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -135.8 | 88.4 | 164.5 | -78 | -171.5 | 174.7 | -178.9 | 0 | 110.4 | I1043 | K1041-I1043 HydrophobicContact CB-CG1 4.38Å; K1041-I1043 HydrophobicContact CD-CD1 4.39Å | ||
| 1042 | S | 29.7 | Very low | 34.2 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -62.5 | 128.3 | 148.1 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1043 | I | 40 | Very low | 34.6 | Very low | 122 Ų | 122 | 139 Ų | 139 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | trans | -140.6 | 100.7 | 167.7 | -60.7 | -176.9 | 0 | 0 | 0 | 107.8 | K1041 R1045 | K1041-I1043 HydrophobicContact CB-CG1 4.38Å; K1041-I1043 HydrophobicContact CD-CD1 4.39Å; I1043-R1045 HydrophobicContact CG2-CG 4.33Å | ||
| 1044 | D | 32.3 | Very low | 35.3 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -60.9 | 137.3 | 162.7 | -68.4 | -67.3 | 0 | 0 | 0 | 110.3 | ||||
| 1045 | R | 36.1 | Very low | 35.5 | Very low | 239 Ų | 239 | 134.2 Ų | 134.2 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | -124.6 | 73 | 177.6 | -87 | -169.4 | 165.8 | -168.6 | -0.9 | 111.6 | I1043 | I1043-R1045 HydrophobicContact CG2-CG 4.33Š| ||
| 1046 | S | 31 | Very low | 36 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -160.5 | 57 | 176 | 46.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1047 | A | 34.5 | Very low | 36.3 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -140.7 | 111.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1048 | L | 36.2 | Very low | 36.5 | Very low | 175 Ų | 175 | 133.9 Ų | 133.9 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | 65.1 | 113 | 145.3 | -58.2 | 170.9 | 0 | 0 | 0 | 120.6 | ||||
| 1049 | S | 41.1 | Very low | 36.9 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 162.4 | 155.7 | -139.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1050 | P | 43.4 | Very low | 37.2 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 165.7 | -165.6 | 32.4 | -35.1 | 0 | 0 | 0 | 115.5 | ||
| 1051 | N | 32.7 | Very low | 37.8 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 127.9 | -169.9 | 168.9 | 25.2 | 0 | 0 | 0 | 113.4 | ||
| 1052 | S | 38.8 | Very low | 37.7 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -161.5 | 111.9 | 150.7 | 62.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1053 | N | 37.9 | Very low | 38.3 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | 65.7 | 111.7 | 134.2 | -59.8 | -16.7 | 0 | 0 | 0 | 123.5 | ||||
| 1054 | A | 45.2 | Very low | 38.1 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | 91.8 | 151.6 | 125.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1055 | P | 41.3 | Very low | 38.6 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -133.7 | 175.2 | -146 | 43.4 | -27.4 | 0 | 0 | 0 | 116.9 | ||||
| 1056 | N | 41.1 | Very low | 38.6 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | -167.8 | 157.5 | 127.2 | -97.5 | -31.8 | 0 | 0 | 0 | 112.8 | |||||
| 1057 | P | 38.5 | Very low | 38.6 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -123.7 | 159.5 | -165.3 | 41.3 | -28.7 | 0 | 0 | 0 | 116.7 | ||||
| 1058 | I | 35.6 | Very low | 38.3 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 89% | 0.892 | 78% | 0.783 | S | S | * | * | trans | -179.9 | 144 | 157.1 | -98.5 | 148.5 | 0 | 0 | 0 | 107.9 | ||||
| 1059 | A | 37.6 | Very low | 38.3 | Very low | 74 Ų | 74 | 130.6 Ų | 130.6 | 61% | 0.612 | 78% | 0.778 | S | S | * | * | cis | -165.2 | 141.7 | -26.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1060 | L | 42.4 | Very low | 37.7 | Very low | 167 Ų | 167 | 130.7 Ų | 130.7 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | 63.2 | 159.9 | 163.3 | -84.9 | 77.3 | 0 | 0 | 0 | 119.7 | ||||
| 1061 | P | 41.1 | Very low | 37.4 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | cis | -130.2 | 160.6 | -28.7 | 35.5 | -19.4 | 0 | 0 | 0 | 114.4 | ||||
| 1062 | N | 35.3 | Very low | 37.2 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -119.4 | 149.2 | 177.2 | 175.9 | 45.7 | 0 | 0 | 0 | 110.7 | ||||
| 1063 | P | 43.3 | Very low | 37 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | trans | -107.1 | 117.2 | 159.5 | 33.5 | -23.7 | 0 | 0 | 0 | 112.3 | ||||
| 1064 | Q | 34.5 | Very low | 36.8 | Very low | 169 Ų | 169 | 130 Ų | 130 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -79.4 | 157 | 170.3 | -82 | 179.1 | -58.2 | 0 | 0 | 112.6 | ||||
| 1065 | P | 43.1 | Very low | 35.8 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -86.7 | 149.5 | 175.5 | 35.1 | -35 | 0 | 0 | 0 | 113.3 | ||||
| 1066 | P | 36.1 | Very low | 35.1 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -123.1 | 113.2 | 164.9 | 35 | -21.5 | 0 | 0 | 0 | 114.4 | ||||
| 1067 | T | 32 | Very low | 34.5 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | 32.1 | 114.1 | 116.9 | -50.1 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1068 | L | 27.7 | Very low | 34.3 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | 61.8 | 139.5 | 159.3 | -55.3 | 168.7 | 0 | 0 | 0 | 115.2 | ||||
| 1069 | I | 35.3 | Very low | 33.8 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | -159.5 | 149.1 | 58.2 | -77.7 | 163.9 | 0 | 0 | 0 | 108.6 | |||||
| 1070 | S | 29.5 | Very low | 33.5 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -80.4 | 146.1 | 172.4 | -50.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1071 | P | 36.4 | Very low | 32.8 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -123.2 | 134.9 | 138.3 | 34.7 | -27.9 | 0 | 0 | 0 | 112.8 | V1073 | P1071-V1073 PolarHBondContact O-N 3.07Š| ||
| 1072 | S | 28.1 | Very low | 32.2 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | -59.8 | 118.6 | 175.5 | 160.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1073 | V | 35.9 | Very low | 32 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | trans | -128.6 | 141.6 | 145.3 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | P1071 | P1071-V1073 PolarHBondContact O-N 3.07Š| ||
| 1074 | N | 31.9 | Very low | 31.4 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -76.1 | 147 | -160.4 | -76.8 | -49.7 | 0 | 0 | 0 | 115 | ||||
| 1075 | R | 25.4 | Very low | 31.1 | Very low | 231 Ų | 231 | 139.8 Ų | 139.8 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -56.6 | 141.5 | 169.3 | -62 | 169.9 | 168.4 | -175.1 | -4.8 | 111.2 | ||||
| 1076 | T | 26.7 | Very low | 30.4 | Very low | 125 Ų | 125 | 140 Ų | 140 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | -175.9 | 104 | 106.6 | 32.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1077 | T | 28.9 | Very low | 30.2 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -131.7 | 64.7 | 166.2 | 35.7 | 0 | 0 | 0 | 0 | 111.2 | S1079 | T1077-S1079 PolarHBondContact O-N 3.36Š| ||
| 1078 | I | 32.8 | Very low | 30.1 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 65% | 0.651 | 77% | 0.771 | S | S | * | * | trans | 44.9 | 77.7 | 139 | -55.7 | 176.3 | 0 | 0 | 0 | 115.6 | H1080 | I1078-H1080 HydrophobicContact CG2-CB 3.85Š| ||
| 1079 | S | 25.5 | Very low | 30.2 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -88.5 | 86.7 | 141.1 | 47.5 | 0 | 0 | 0 | 0 | 108.4 | T1077 | T1077-S1079 PolarHBondContact O-N 3.36Š| ||
| 1080 | H | 31.8 | Very low | 30 | Very low | 114 Ų | 114 | 136 Ų | 136 | 53% | 0.528 | 76% | 0.757 | S | S | . | * | trans | -125.9 | 92 | 177.7 | -64 | -23.7 | 0 | 0 | 0 | 112.4 | I1078 R1082 | I1078-H1080 HydrophobicContact CG2-CB 3.85Å; H1080-R1082 HydrophobicContact CB-CB 3.94Å; H1080-R1082 HydrophobicContact CB-CG 4.26Å; H1080-R1082 PolarHBondContact O-N 3.22Å | ||
| 1081 | S | 27.7 | Very low | 30.1 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | -43.2 | 95 | 120.4 | 40.5 | 0 | 0 | 0 | 0 | 110.1 | P1083 | S1081-P1083 VanDerWaalsContact O-CD 3.25Å; S1081-P1083 WeakPolarHBondContact O-CD 3.08Å | |||
| 1082 | R | 28.4 | Very low | 30.2 | Very low | 195 Ų | 195 | 139 Ų | 139 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | -106.7 | 99.4 | -173.3 | -149.5 | 178.9 | -167.9 | -151.4 | 2.2 | 111.9 | H1080 | H1080-R1082 HydrophobicContact CB-CB 3.94Å; H1080-R1082 HydrophobicContact CB-CG 4.26Å; H1080-R1082 PolarHBondContact O-N 3.22Å | ||
| 1083 | P | 30.8 | Very low | 30.6 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | -75.5 | 135.2 | 164.8 | 32 | -32.1 | 0 | 0 | 0 | 109.2 | S1081 | S1081-P1083 VanDerWaalsContact O-CD 3.25Å; S1081-P1083 WeakPolarHBondContact O-CD 3.08Å | ||
| 1084 | V | 30.3 | Very low | 30.6 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | -121 | 115.5 | 170 | -178.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 1085 | R | 28.9 | Very low | 31 | Very low | 220 Ų | 220 | 142.1 Ų | 142.1 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | trans | -76.3 | 164.8 | 172.1 | -81.3 | 179.3 | 145.6 | 94.4 | -5.8 | 110.1 | ||||
| 1086 | T | 29.1 | Very low | 31.4 | Very low | 127 Ų | 127 | 136 Ų | 136 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | trans | -51 | 175.8 | 148.3 | 49.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1087 | S | 30.5 | Very low | 31.7 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | trans | 81.8 | 140.6 | -177 | 83.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1088 | N | 29.5 | Very low | 31.9 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | cis | -160.2 | 150.2 | -1.2 | -121.7 | 6.2 | 0 | 0 | 0 | 114 | ||||
| 1089 | L | 29.8 | Very low | 32.2 | Very low | 134 Ų | 134 | 133 Ų | 133 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | trans | 64.8 | 147.9 | 141.8 | -64.6 | 166.6 | 0 | 0 | 0 | 121.8 | ||||
| 1090 | T | 32.1 | Very low | 32.9 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 64% | 0.644 | 74% | 0.739 | S | S | * | * | trans | 28.4 | 137.8 | 142.8 | 59.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1091 | E | 32.4 | Very low | 32.7 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | cis | -163.5 | 175.1 | 16.4 | -115.6 | 154.6 | -127 | 0 | 0 | 107.7 | ||||
| 1092 | I | 36.8 | Very low | 32.9 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | cis | -124.4 | -152.9 | 10 | -2.4 | 174.6 | 0 | 0 | 0 | 108.3 | ||||
| 1093 | T | 37.5 | Very low | 33.1 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | cis | -154.5 | -176.8 | 8.1 | -23.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1094 | E | 34.7 | Very low | 33.2 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | trans | -48.9 | 157.9 | 156.4 | -65.1 | 107.9 | -108.1 | 0 | 0 | 114.2 | ||||
| 1095 | E | 40.8 | Very low | 33.4 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | cis | -127 | 152.3 | 32.2 | -66.1 | -171.3 | 119.9 | 0 | 0 | 118.1 | ||||
| 1096 | S | 33.3 | Very low | 33.8 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -61.2 | 160.8 | 160.2 | 67.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1097 | S | 34.8 | Very low | 33.9 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | cis | -164.9 | 154.2 | 48.2 | -83 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1098 | S | 31.8 | Very low | 34 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | 1.4 | 143.5 | 151.1 | -51.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1099 | P | 38.9 | Very low | 34 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | -86.4 | 147.2 | 169.1 | 35.8 | -34.3 | 0 | 0 | 0 | 113.7 | ||||
| 1100 | P | 41 | Very low | 34 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -91.5 | 149.1 | 168.1 | 34.6 | -31.8 | 0 | 0 | 0 | 113 | ||||
| 1101 | K | 28.2 | Very low | 33.9 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -100.2 | 176.4 | 165.1 | -69.8 | 178.4 | 177.9 | 175.2 | 0 | 109.8 | ||||
| 1102 | S | 31.8 | Very low | 33.7 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | 75.8 | 154.8 | 170.1 | -2.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1103 | E | 32.2 | Very low | 33.4 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | cis | -147.2 | 154.4 | 14 | -143.4 | -168.7 | 118.8 | 0 | 0 | 114.7 | ||||
| 1104 | N | 32.4 | Very low | 33 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 25.1 | 124.7 | 151 | -75.5 | -34.3 | 0 | 0 | 0 | 122.4 | ||||
| 1105 | G | 35.6 | Very low | 32.9 | Very low | 69 Ų | 69 | 141.5 Ų | 141.5 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 169.4 | 115.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1106 | Q | 36.1 | Very low | 32.5 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | trans | 51.8 | 100.3 | 162.9 | -58.5 | 175.8 | -8.1 | 0 | 0 | 116.7 | ||||
| 1107 | K | 31.1 | Very low | 32.6 | Very low | 204 Ų | 204 | 145.1 Ų | 145.1 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | 60.2 | 139.5 | 61.4 | -64 | -170.6 | 174.5 | -179.6 | 0 | 115.7 | |||||
| 1108 | S | 33.5 | Very low | 32.4 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | 84.4 | 127.9 | 175.7 | -153.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 1109 | L | 30.2 | Very low | 32.4 | Very low | 129 Ų | 129 | 150.9 Ų | 150.9 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | cis | -153.1 | 154.8 | -12.2 | -123.3 | 175.5 | 0 | 0 | 0 | 110.2 | Y1111 | L1109-Y1111 HydrophobicContact CD1-CD2 4.01Å; L1109-Y1111 HydrophobicContact CD1-CE2 3.82Å; L1109-Y1111 HydrophobicContact CD2-CD2 3.86Å; L1109-Y1111 HydrophobicContact CD2-CE2 3.76Å; L1109-Y1111 HydrophobicContact CG-CD2 4.39Å; L1109-Y1111 HydrophobicContact CG-CE2 4.4Å | ||
| 1110 | I | 28 | Very low | 31.9 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | -105.5 | 116.9 | 164.4 | -64.7 | 174.5 | 0 | 0 | 0 | 107.9 | ||||
| 1111 | Y | 31.2 | Very low | 31.7 | Very low | 192 Ų | 192 | 151.8 Ų | 151.8 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | -138.2 | 136 | 156.6 | -84.9 | -89.2 | 0 | 0 | 0 | 106.2 | L1109 | L1109-Y1111 HydrophobicContact CD1-CD2 4.01Å; L1109-Y1111 HydrophobicContact CD1-CE2 3.82Å; L1109-Y1111 HydrophobicContact CD2-CD2 3.86Å; L1109-Y1111 HydrophobicContact CD2-CE2 3.76Å; L1109-Y1111 HydrophobicContact CG-CD2 4.39Å; L1109-Y1111 HydrophobicContact CG-CE2 4.4Å | ||
| 1112 | S | 28.6 | Very low | 31.8 | Very low | 88 Ų | 88 | 150 Ų | 150 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | cis | 87.7 | 43.9 | 20.4 | -46.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1113 | E | 30.7 | Very low | 32 | Very low | 184 Ų | 184 | 151.2 Ų | 151.2 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -128.1 | 127.8 | 143 | -70.7 | -170.7 | 122.3 | 0 | 0 | 107.8 | ||||
| 1114 | N | 28.3 | Very low | 32 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | cis | 78 | 52.4 | -1 | -132.1 | 12.2 | 0 | 0 | 0 | 117 | ||||
| 1115 | Q | 32.8 | Very low | 32.1 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 67% | 0.673 | 77% | 0.765 | S | S | * | * | -164 | 139 | 128.5 | -107.8 | 169.8 | 112 | 0 | 0 | 115.6 | |||||
| 1116 | K | 32.8 | Very low | 32 | Very low | 166 Ų | 166 | 149.7 Ų | 149.7 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 33.1 | 116.9 | 142.8 | -59.4 | 160.4 | -175.9 | 162.8 | 0 | 119.4 | ||||
| 1117 | Q | 33.8 | Very low | 32.1 | Very low | 200 Ų | 200 | 145.7 Ų | 145.7 | 94% | 0.935 | 76% | 0.756 | S | S | * | * | -147.5 | 115 | 103.1 | -159.5 | 95.9 | 20.1 | 0 | 0 | 109 | |||||
| 1118 | S | 30.5 | Very low | 32 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -103.5 | 117.6 | -178.2 | 52.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1119 | R | 32 | Very low | 32.2 | Very low | 222 Ų | 222 | 148.7 Ų | 148.7 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -157.4 | 108.5 | 165.7 | -154.5 | 175 | -174.1 | 178.3 | 0.3 | 107 | ||||
| 1120 | S | 30.1 | Very low | 32.5 | Very low | 94 Ų | 94 | 147.1 Ų | 147.1 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | cis | 79.6 | 65.6 | 28.8 | 94.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1121 | E | 35.8 | Very low | 33 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | -125.5 | 95.5 | 146.3 | -67 | 177.8 | 175.9 | 0 | 0 | 103.6 | ||||
| 1122 | E | 31.1 | Very low | 33.2 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | 71.8 | 60.8 | 54 | -146.4 | -173.3 | 178.9 | 0 | 0 | 113.6 | V1124 | E1122-V1124 VanDerWaalsContact C-N 3.28Å; E1122-V1124 HydrophobicContact CG-CG2 3.73Å; E1122-V1124 PolarHBondContact O-N 3.47Å | |||
| 1123 | V | 34.4 | Very low | 33.7 | Very low | 142 Ų | 142 | 148.4 Ų | 148.4 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -69.4 | 92.1 | 154.7 | 178.4 | 0 | 0 | 0 | 0 | 107.6 | V1125 | V1123-V1125 PolarHBondContact O-N 3.14Š| ||
| 1124 | V | 33.7 | Very low | 34 | Very low | 87 Ų | 87 | 152.7 Ų | 152.7 | 53% | 0.527 | 79% | 0.787 | S | S | . | * | trans | -64.3 | 112.9 | -174.5 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | E1122 V1126 | E1122-V1124 VanDerWaalsContact C-N 3.28Å; E1122-V1124 HydrophobicContact CG-CG2 3.73Å; E1122-V1124 PolarHBondContact O-N 3.47Å; V1124-V1126 HydrophobicContact CG1-CB 3.72Å; V1124-V1126 HydrophobicContact CG1-CG2 3.35Å | ||
| 1125 | V | 33.5 | Very low | 34.3 | Very low | 139 Ų | 139 | 153.1 Ų | 153.1 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | -94.2 | 97.7 | 157.6 | 178.9 | 0 | 0 | 0 | 0 | 107.9 | V1123 | V1123-V1125 PolarHBondContact O-N 3.14Š| ||
| 1126 | V | 34.1 | Very low | 34.4 | Very low | 119 Ų | 119 | 153.5 Ų | 153.5 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | trans | -116.1 | 134 | 172.6 | 156 | 0 | 0 | 0 | 0 | 109 | V1124 | V1124-V1126 HydrophobicContact CG1-CB 3.72Å; V1124-V1126 HydrophobicContact CG1-CG2 3.35Å | ||
| 1127 | P | 37.8 | Very low | 34.5 | Very low | 106 Ų | 106 | 152.8 Ų | 152.8 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | trans | -94.9 | 176.6 | -156.7 | 38.1 | -39.5 | 0 | 0 | 0 | 114.3 | K1129 | P1127-K1129 PolarHBondContact O-N 3.14Š| ||
| 1128 | E | 29 | Very low | 34.5 | Very low | 188 Ų | 188 | 150.1 Ų | 150.1 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -49 | 133.4 | 165.7 | -64.7 | -168.4 | 132.3 | 0 | 0 | 112.6 | ||||
| 1129 | K | 37.8 | Very low | 34.8 | Very low | 192 Ų | 192 | 152.6 Ų | 152.6 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -158.1 | 96.9 | 150.8 | -114.3 | 158.2 | -170.2 | 169.9 | 0 | 112.2 | P1127 | P1127-K1129 PolarHBondContact O-N 3.14Š| ||
| 1130 | S | 36.3 | Very low | 34.9 | Very low | 96 Ų | 96 | 147.9 Ų | 147.9 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | trans | 12.9 | 124 | 144.6 | 62 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1131 | K | 39.4 | Very low | 35.3 | Very low | 190 Ų | 190 | 151.8 Ų | 151.8 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | -178.3 | 122.1 | 116.8 | -96.1 | 152 | -172.4 | 177.8 | 0 | 113.6 | |||||
| 1132 | N | 35.6 | Very low | 35.3 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | 40.8 | 137 | 137.3 | -57.2 | 6.3 | 0 | 0 | 0 | 122.4 | ||||
| 1133 | S | 37.5 | Very low | 35.6 | Very low | 107 Ų | 107 | 149.8 Ų | 149.8 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 83 | 74.1 | 136.6 | -175.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1134 | K | 38.3 | Very low | 35.7 | Very low | 275 Ų | 275 | 150.5 Ų | 150.5 | 100% | 1.196 | 80% | 0.797 | S | S | * | * | -158.7 | 0 | 90.4 | -108.6 | 177.4 | 180 | 177.1 | 0 | 112.4 |
Retrieved 1,134 of 1,134 residues in 588.2 ms
(Link to these results)