| 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 | 52.3 | Low | 53.1 | Low | 210 Ų | 210 | 126.8 Ų | 126.8 | 100% | 1.034 | 65% | 0.647 | S | S | * | * | 0 | 9 | 0 | -61.4 | -66.8 | -150.1 | 0 | 0 | 111.8 | |||||
| 2 | S | 52.4 | Low | 53.2 | Low | 88 Ų | 88 | 128.2 Ų | 128.2 | 62% | 0.615 | 65% | 0.649 | S | S | * | * | trans | -131.5 | -31.6 | 176.3 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | T6 | S2-T6 WeakPolarHBondContact O-CG2 3.4Å; S2-T6 PolarHBondContact O-N 3.36Å; S2-T6 PolarHBondContact O-OG1 3.28Å; S2-T6 VanDerWaalsContact O-OG1 3.11Å | ||
| 3 | D | 48.8 | Very low | 53.9 | Low | 136 Ų | 136 | 122.3 Ų | 122.3 | 73% | 0.727 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.5 | -34.5 | 175.9 | -68 | -63.5 | 0 | 0 | 0 | 114.3 | T6 E7 | D3-T6 VanDerWaalsContact C-OG1 3.28Å; D3-T6 VanDerWaalsContact CA-OG1 3.31Å; D3-T6 WeakPolarHBondContact CA-OG1 3.35Å; D3-T6 PolarHBondContact O-N 3.13Å; D3-T6 PolarHBondContact O-OG1 3.14Å; D3-E7 PolarHBondContact O-N 3.48Å; D3-E7 VanDerWaalsContact O-N 3.08Å |
| 4 | E | 50.3 | Low | 54.1 | Low | 140 Ų | 140 | 122.1 Ų | 122.1 | 65% | 0.654 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -78.2 | -24.5 | -176.1 | -156.2 | 171.6 | -167.6 | 0 | 0 | 112.4 | Q8 | E4-Q8 PolarHBondContact O-N 3.18Å |
| 5 | E | 52.3 | Low | 54 | Low | 138 Ų | 138 | 122.8 Ų | 122.8 | 65% | 0.645 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -82.4 | -28.9 | 174.9 | -160 | 175.6 | 171.7 | 0 | 0 | 110.7 | V9 | E5-V9 VanDerWaalsContact O-CG2 3.31Å; E5-V9 WeakPolarHBondContact O-CG2 3.17Å; E5-V9 PolarHBondContact O-N 2.73Å |
| 6 | T | 50.6 | Low | 53.9 | Low | 83 Ų | 83 | 124.2 Ų | 124.2 | 51% | 0.509 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -73.4 | -35.6 | 171.3 | 46 | 0 | 0 | 0 | 0 | 112.7 | S2 D3 V9 E10 | S2-T6 WeakPolarHBondContact O-CG2 3.4Å; S2-T6 PolarHBondContact O-N 3.36Å; S2-T6 PolarHBondContact O-OG1 3.28Å; S2-T6 VanDerWaalsContact O-OG1 3.11Å; D3-T6 VanDerWaalsContact C-OG1 3.28Å; D3-T6 VanDerWaalsContact CA-OG1 3.31Å; D3-T6 WeakPolarHBondContact CA-OG1 3.35Å; D3-T6 PolarHBondContact O-N 3.13Å; D3-T6 PolarHBondContact O-OG1 3.14Å; T6-V9 PolarHBondContact O-N 3.47Å; T6-E10 WeakPolarHBondContact O-CB 3.29Å; T6-E10 PolarHBondContact O-N 3.16Å; T6-E10 VanDerWaalsContact O-N 3.1Å |
| 7 | E | 52 | Low | 53.7 | Low | 131 Ų | 131 | 124.1 Ų | 124.1 | 61% | 0.612 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.6 | -39.6 | 176.1 | -114.8 | 176.2 | 164.7 | 0 | 0 | 112.1 | D3 E10 E11 | D3-E7 PolarHBondContact O-N 3.48Å; D3-E7 VanDerWaalsContact O-N 3.08Å; E7-E10 PolarHBondContact O-N 2.7Å; E7-E11 WeakPolarHBondContact O-CB 3.26Å; E7-E11 PolarHBondContact O-N 3.18Å |
| 8 | Q | 53.8 | Low | 53.6 | Low | 124 Ų | 124 | 122.1 Ų | 122.1 | 58% | 0.579 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.4 | -35.9 | 177.7 | -81.2 | 177.5 | 0.8 | 0 | 0 | 113.2 | E4 E10 E12 | E4-Q8 PolarHBondContact O-N 3.18Å; Q8-E10 VanDerWaalsContact C-N 3.34Å; Q8-E12 PolarHBondContact O-N 3.09Å |
| 9 | V | 59.2 | Low | 53.2 | Low | 94 Ų | 94 | 122.9 Ų | 122.9 | 57% | 0.57 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.5 | -32.3 | 177.3 | 176 | 0 | 0 | 0 | 0 | 111 | E5 T6 A13 | E5-V9 VanDerWaalsContact O-CG2 3.31Å; E5-V9 WeakPolarHBondContact O-CG2 3.17Å; E5-V9 PolarHBondContact O-N 2.73Å; T6-V9 PolarHBondContact O-N 3.47Å; V9-A13 WeakPolarHBondContact O-CB 3.29Å; V9-A13 PolarHBondContact O-N 3.33Å; V9-A13 VanDerWaalsContact O-N 3.14Å |
| 10 | E | 58.6 | Low | 52.9 | Low | 127 Ų | 127 | 123.7 Ų | 123.7 | 59% | 0.593 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.7 | -33.6 | 176.3 | -155.4 | 169.9 | -168.9 | 0 | 0 | 112 | T6 E7 Q8 Q14 | T6-E10 WeakPolarHBondContact O-CB 3.29Å; T6-E10 PolarHBondContact O-N 3.16Å; T6-E10 VanDerWaalsContact O-N 3.1Å; E7-E10 PolarHBondContact O-N 2.7Å; Q8-E10 VanDerWaalsContact C-N 3.34Å; E10-Q14 WeakPolarHBondContact O-CG 3.4Å; E10-Q14 PolarHBondContact O-N 3.33Å; E10-Q14 VanDerWaalsContact O-N 3.14Å |
| 11 | E | 54.4 | Low | 52.5 | Low | 124 Ų | 124 | 123.7 Ų | 123.7 | 58% | 0.579 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.7 | -41.9 | 174 | -166.6 | 176.5 | -177.9 | 0 | 0 | 112.1 | E7 A13 Q14 E15 | E7-E11 WeakPolarHBondContact O-CB 3.26Å; E7-E11 PolarHBondContact O-N 3.18Å; E11-A13 VanDerWaalsContact C-N 3.34Å; E11-A13 PolarHBondContact O-N 2.86Å; E11-Q14 PolarHBondContact O-N 3.35Å; E11-E15 PolarHBondContact O-N 2.92Å |
| 12 | E | 54.3 | Low | 52.3 | Low | 143 Ų | 143 | 119.7 Ų | 119.7 | 67% | 0.668 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.9 | -38.1 | 173.6 | -85.4 | -172.4 | 152.1 | 0 | 0 | 112 | Q8 E15 E16 | Q8-E12 PolarHBondContact O-N 3.09Å; E12-E15 PolarHBondContact O-N 3.47Å; E12-E16 PolarHBondContact O-N 3.11Å; E12-E16 VanDerWaalsContact O-N 3.1Å |
| 13 | A | 61.7 | Low | 51.9 | Low | 52 Ų | 52 | 122.6 Ų | 122.6 | 43% | 0.43 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.9 | -35.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V9 E11 E17 | V9-A13 WeakPolarHBondContact O-CB 3.29Å; V9-A13 PolarHBondContact O-N 3.33Å; V9-A13 VanDerWaalsContact O-N 3.14Å; E11-A13 VanDerWaalsContact C-N 3.34Å; E11-A13 PolarHBondContact O-N 2.86Å; A13-E17 PolarHBondContact O-N 3.36Å; A13-E17 VanDerWaalsContact O-N 3.12Å |
| 14 | Q | 56.1 | Low | 51.8 | Low | 119 Ų | 119 | 121 Ų | 121 | 56% | 0.556 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.9 | -34.9 | 175 | -80 | 176.9 | 11.8 | 0 | 0 | 112.7 | E10 E11 V18 | E10-Q14 WeakPolarHBondContact O-CG 3.4Å; E10-Q14 PolarHBondContact O-N 3.33Å; E10-Q14 VanDerWaalsContact O-N 3.14Å; E11-Q14 PolarHBondContact O-N 3.35Å; Q14-V18 WeakPolarHBondContact O-CG2 3.49Å; Q14-V18 PolarHBondContact O-N 3.24Å; Q14-V18 VanDerWaalsContact O-N 3.16Å |
| 15 | E | 53.6 | Low | 51.4 | Low | 133 Ų | 133 | 121 Ų | 121 | 62% | 0.621 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.4 | -32.8 | 174.6 | -79.5 | -166 | 151.6 | 0 | 0 | 112.6 | E11 E12 Q19 | E11-E15 PolarHBondContact O-N 2.92Å; E12-E15 PolarHBondContact O-N 3.47Å; E15-Q19 PolarHBondContact O-N 2.78Å |
| 16 | E | 52.1 | Low | 50.8 | Low | 145 Ų | 145 | 122.2 Ų | 122.2 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72 | -40.8 | 176.6 | -156.5 | 173.1 | -163.7 | 0 | 0 | 111.6 | E12 V18 Q19 E20 | E12-E16 PolarHBondContact O-N 3.11Å; E12-E16 VanDerWaalsContact O-N 3.1Å; E16-V18 PolarHBondContact O-N 3.32Å; E16-Q19 PolarHBondContact O-N 2.94Å; E16-E20 PolarHBondContact O-N 3.43Å; E16-E20 VanDerWaalsContact O-N 3.07Å |
| 17 | E | 50.6 | Low | 50 | Low | 123 Ų | 123 | 125.2 Ų | 125.2 | 58% | 0.575 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.9 | -35.8 | 176.3 | -160.9 | 176.2 | -168 | 0 | 0 | 112.2 | A13 E20 E21 | A13-E17 PolarHBondContact O-N 3.36Å; A13-E17 VanDerWaalsContact O-N 3.12Å; E17-E20 PolarHBondContact O-N 3.02Å; E17-E21 PolarHBondContact O-N 3.28Å |
| 18 | V | 51 | Low | 49.3 | Very low | 88 Ų | 88 | 122.7 Ų | 122.7 | 53% | 0.533 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71 | -32.1 | 176 | 173.1 | 0 | 0 | 0 | 0 | 112.1 | Q14 E16 E22 | Q14-V18 WeakPolarHBondContact O-CG2 3.49Å; Q14-V18 PolarHBondContact O-N 3.24Å; Q14-V18 VanDerWaalsContact O-N 3.16Å; E16-V18 PolarHBondContact O-N 3.32Å; V18-E22 WeakPolarHBondContact O-CB 3.5Å; V18-E22 PolarHBondContact O-N 3.23Å; V18-E22 VanDerWaalsContact O-N 3.12Å |
| 19 | Q | 46.3 | Very low | 48.5 | Very low | 138 Ų | 138 | 122.8 Ų | 122.8 | 65% | 0.645 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.7 | -38.5 | 173.2 | -92.2 | 177 | 24.6 | 0 | 0 | 112.2 | E15 E16 E22 E23 | E15-Q19 PolarHBondContact O-N 2.78Å; E16-Q19 PolarHBondContact O-N 2.94Å; Q19-E22 PolarHBondContact O-N 3.04Å; Q19-E23 WeakPolarHBondContact O-CB 3.22Å; Q19-E23 PolarHBondContact O-N 3.31Å |
| 20 | E | 46.8 | Very low | 47.6 | Very low | 137 Ų | 137 | 122.8 Ų | 122.8 | 64% | 0.64 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.5 | -38.1 | 177.3 | -133.2 | 178.3 | -175.3 | 0 | 0 | 111.3 | E16 E17 V24 | E16-E20 PolarHBondContact O-N 3.43Å; E16-E20 VanDerWaalsContact O-N 3.07Å; E17-E20 PolarHBondContact O-N 3.02Å; E20-V24 WeakPolarHBondContact O-CB 3.21Å; E20-V24 WeakPolarHBondContact O-CG2 3.34Å; E20-V24 PolarHBondContact O-N 3.1Å; E20-V24 VanDerWaalsContact O-N 3.09Å |
| 21 | E | 46.3 | Very low | 46.9 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 58% | 0.579 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69 | -33.4 | 173.8 | -75.6 | -166.2 | 154 | 0 | 0 | 113.6 | E17 Q25 | E17-E21 PolarHBondContact O-N 3.28Å; E21-Q25 PolarHBondContact O-N 3.43Å; E21-Q25 VanDerWaalsContact O-N 3.17Å |
| 22 | E | 46.9 | Very low | 46.1 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 59% | 0.593 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.1 | -36.8 | 176.8 | -164.2 | 176.2 | 178.9 | 0 | 0 | 111.4 | V18 Q19 Q25 E26 | V18-E22 WeakPolarHBondContact O-CB 3.5Å; V18-E22 PolarHBondContact O-N 3.23Å; V18-E22 VanDerWaalsContact O-N 3.12Å; Q19-E22 PolarHBondContact O-N 3.04Å; E22-Q25 PolarHBondContact O-N 2.82Å; E22-E26 PolarHBondContact O-N 3.14Å |
| 23 | E | 45.1 | Very low | 45.1 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 69% | 0.692 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -71.5 | -35.1 | 176.7 | -159 | 174.4 | -165.5 | 0 | 0 | 111.9 | Q19 E26 D27 | Q19-E23 WeakPolarHBondContact O-CB 3.22Å; Q19-E23 PolarHBondContact O-N 3.31Å; E23-E26 PolarHBondContact O-N 2.94Å; E23-D27 PolarHBondContact O-N 3.37Å |
| 24 | V | 46.2 | Very low | 43.8 | Very low | 102 Ų | 102 | 139 Ų | 139 | 62% | 0.618 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -72.7 | -27.1 | 174.8 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | E20 | E20-V24 WeakPolarHBondContact O-CB 3.21Å; E20-V24 WeakPolarHBondContact O-CG2 3.34Å; E20-V24 PolarHBondContact O-N 3.1Å; E20-V24 VanDerWaalsContact O-N 3.09Å |
| 25 | Q | 40.8 | Very low | 42.8 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 66% | 0.659 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -76.6 | -29.1 | 173.1 | -90 | 177.2 | 35.6 | 0 | 0 | 113.8 | E21 E22 | E21-Q25 PolarHBondContact O-N 3.43Å; E21-Q25 VanDerWaalsContact O-N 3.17Å; E22-Q25 PolarHBondContact O-N 2.82Å |
| 26 | E | 39.9 | Very low | 41.9 | Very low | 163 Ų | 163 | 144 Ų | 144 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -72.8 | -28.9 | 175.5 | -87.8 | -167.4 | 151.8 | 0 | 0 | 113 | E22 E23 | E22-E26 PolarHBondContact O-N 3.14Å; E23-E26 PolarHBondContact O-N 2.94Å |
| 27 | D | 35 | Very low | 40.9 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -81.6 | -18.8 | 178.9 | -136.1 | -97.2 | 0 | 0 | 0 | 113 | E23 | E23-D27 PolarHBondContact O-N 3.37Å |
| 28 | A | 36.3 | Very low | 40.2 | Very low | 78 Ų | 78 | 147.4 Ų | 147.4 | 65% | 0.645 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -2.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 29 | V | 37.5 | Very low | 39.6 | Very low | 125 Ų | 125 | 152.5 Ų | 152.5 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 5.1 | -176.4 | -170.5 | 0 | 0 | 0 | 0 | 112.9 | E31 | V29-E31 PolarHBondContact O-N 2.95Š|
| 30 | A | 41.3 | Very low | 39.3 | Very low | 95 Ų | 95 | 154.3 Ų | 154.3 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -99.5 | 48.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 31 | E | 42.1 | Very low | 39.1 | Very low | 186 Ų | 186 | 156 Ų | 156 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -132.1 | 65.8 | 163.8 | -146 | 178 | -160.8 | 0 | 0 | 108.8 | V29 E33 | V29-E31 PolarHBondContact O-N 2.95Å; E31-E33 PolarHBondContact O-N 3.34Å | ||
| 32 | E | 37.5 | Very low | 39.1 | Very low | 191 Ų | 191 | 158.5 Ų | 158.5 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -82.6 | 105.5 | 166.5 | -133.4 | 177.3 | -170.7 | 0 | 0 | 108.5 | ||||
| 33 | E | 34.8 | Very low | 39.1 | Very low | 163 Ų | 163 | 158.2 Ų | 158.2 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -10.4 | 118.2 | 160.5 | -61.8 | 178.2 | 151.2 | 0 | 0 | 115.1 | E31 E35 | E31-E33 PolarHBondContact O-N 3.34Å; E33-E35 VanDerWaalsContact C-N 3.32Å; E33-E35 PolarHBondContact O-N 3.49Å | ||
| 34 | R | 34.5 | Very low | 39.1 | Very low | 246 Ų | 246 | 161.6 Ų | 161.6 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | trans | -66.4 | 97.1 | 154.3 | -80 | -177.7 | 178.7 | 179.5 | 0.3 | 107.5 | E36 | R34-E36 PolarHBondContact O-N 2.93Š| ||
| 35 | E | 34.2 | Very low | 39.4 | Very low | 174 Ų | 174 | 162 Ų | 162 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -63.9 | 115.2 | 159.4 | -70.8 | -163.2 | 150.3 | 0 | 0 | 108.4 | E33 D37 | E33-E35 VanDerWaalsContact C-N 3.32Å; E33-E35 PolarHBondContact O-N 3.49Å; E35-D37 PolarHBondContact O-N 2.88Å | ||
| 36 | E | 34.3 | Very low | 39.7 | Very low | 182 Ų | 182 | 165 Ų | 165 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -67.4 | 104.6 | 162 | -69.2 | -178.5 | 155.3 | 0 | 0 | 107.1 | R34 E38 | R34-E36 PolarHBondContact O-N 2.93Å; E36-E38 VanDerWaalsContact C-N 3.34Å; E36-E38 PolarHBondContact O-N 2.89Å | ||
| 37 | D | 32.1 | Very low | 40 | Very low | 162 Ų | 162 | 165.1 Ų | 165.1 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | trans | -63.1 | 95.6 | 167.5 | -112.7 | -41.1 | 0 | 0 | 0 | 108 | E35 E39 | E35-D37 PolarHBondContact O-N 2.88Å; D37-E39 PolarHBondContact O-N 3.45Å | ||
| 38 | E | 35.8 | Very low | 40.6 | Very low | 178 Ų | 178 | 164.2 Ų | 164.2 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -60.4 | 116.7 | 163.2 | -76.3 | -169.4 | 149 | 0 | 0 | 108.3 | E36 E40 | E36-E38 VanDerWaalsContact C-N 3.34Å; E36-E38 PolarHBondContact O-N 2.89Å; E38-E40 PolarHBondContact O-N 3.09Å | ||
| 39 | E | 37.8 | Very low | 41.1 | Very low | 195 Ų | 195 | 165 Ų | 165 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | -58.5 | 93.6 | 171.7 | -74.6 | -174.1 | 141.4 | 0 | 0 | 110.6 | D37 E41 | D37-E39 PolarHBondContact O-N 3.45Å; E39-E41 PolarHBondContact O-N 3.33Å | ||
| 40 | E | 39.6 | Very low | 42.2 | Very low | 177 Ų | 177 | 164.8 Ų | 164.8 | 83% | 0.827 | 83% | 0.826 | S | S | * | * | trans | -67.7 | 100.4 | 161.5 | -92.4 | -162.5 | 155.7 | 0 | 0 | 109.5 | E38 K42 | E38-E40 PolarHBondContact O-N 3.09Å; E40-K42 PolarHBondContact O-N 3.28Å | ||
| 41 | E | 43.8 | Very low | 42.3 | Very low | 172 Ų | 172 | 170 Ų | 170 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -63.2 | 89.5 | 175.2 | -150.5 | -172.8 | -174.6 | 0 | 0 | 110.9 | E39 | E39-E41 PolarHBondContact O-N 3.33Š| ||
| 42 | K | 44.7 | Very low | 42.7 | Very low | 176 Ų | 176 | 168.4 Ų | 168.4 | 77% | 0.765 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 133.8 | 170.5 | -76.9 | 176.3 | -178.3 | 167.6 | 0 | 110.3 | E40 R44 | E40-K42 PolarHBondContact O-N 3.28Å; K42-R44 PolarHBondContact O-N 2.93Å |
| 43 | P | 48.2 | Very low | 43.4 | Very low | 121 Ų | 121 | 165 Ų | 165 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 121.7 | -174.5 | 25.1 | -32.8 | 0 | 0 | 0 | 111 | P45 | P43-P45 WeakPolarHBondContact O-CD 3.42Š|
| 44 | R | 45.6 | Very low | 43.8 | Very low | 219 Ų | 219 | 166.8 Ų | 166.8 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 118.5 | 174.7 | -61 | 179.6 | -172.5 | -155.3 | 0.4 | 110.1 | K42 K46 | K42-R44 PolarHBondContact O-N 2.93Å; R44-K46 PolarHBondContact O-N 3.38Å |
| 45 | P | 50.7 | Low | 44.6 | Very low | 111 Ų | 111 | 158.9 Ų | 158.9 | 72% | 0.721 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 127.2 | 170.1 | 25.1 | -29.6 | 0 | 0 | 0 | 109.3 | P43 L47 | P43-P45 WeakPolarHBondContact O-CD 3.42Å; P45-L47 PolarHBondContact O-N 2.79Å |
| 46 | K | 47.6 | Very low | 45.6 | Very low | 203 Ų | 203 | 159.3 Ų | 159.3 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -62.9 | 100.1 | 174 | -71 | 174.5 | -180 | 173.9 | 0 | 109.1 | R44 T48 | R44-K46 PolarHBondContact O-N 3.38Å; K46-T48 PolarHBondContact O-N 3.17Å | ||
| 47 | L | 46.2 | Very low | 46.9 | Very low | 167 Ų | 167 | 160 Ų | 160 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -72.1 | 104.6 | 167.6 | -70.6 | 165.5 | 0 | 0 | 0 | 108.2 | P45 A49 | P45-L47 PolarHBondContact O-N 2.79Å; L47-A49 PolarHBondContact O-N 3.07Å | ||
| 48 | T | 49.1 | Very low | 48.3 | Very low | 128 Ų | 128 | 156.9 Ų | 156.9 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 126 | 164.6 | 34 | 0 | 0 | 0 | 0 | 109 | K46 P50 | K46-T48 PolarHBondContact O-N 3.17Å; T48-P50 VanDerWaalsContact O-CD 3.32Å; T48-P50 WeakPolarHBondContact O-CD 3.4Å |
| 49 | A | 46.1 | Very low | 50.1 | Low | 95 Ų | 95 | 153.9 Ų | 153.9 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 120.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L47 K51 | L47-A49 PolarHBondContact O-N 3.07Å; A49-K51 PolarHBondContact O-N 3.46Å |
| 50 | P | 59.6 | Low | 51.5 | Low | 119 Ų | 119 | 152.6 Ų | 152.6 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 129 | 171.2 | -19.6 | 32.2 | 0 | 0 | 0 | 110 | T48 I52 | T48-P50 VanDerWaalsContact O-CD 3.32Å; T48-P50 WeakPolarHBondContact O-CD 3.4Å; P50-I52 PolarHBondContact O-N 3.38Å |
| 51 | K | 44.2 | Very low | 53.4 | Low | 204 Ų | 204 | 149.7 Ų | 149.7 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 116.5 | 173.8 | -152.7 | 106.8 | 178.3 | 173.2 | 0 | 108.4 | A49 P53 | A49-K51 PolarHBondContact O-N 3.46Å; K51-P53 WeakPolarHBondContact O-CD 3.49Å |
| 52 | I | 50 | Low | 55.4 | Low | 154 Ų | 154 | 145 Ų | 145 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 122.6 | 176.2 | -44.6 | 160.1 | 0 | 0 | 0 | 107.7 | P50 | P50-I52 PolarHBondContact O-N 3.38Š|
| 53 | P | 51.7 | Low | 57.1 | Low | 119 Ų | 119 | 140.9 Ų | 140.9 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 126.7 | 157.7 | 0.6 | 18.4 | 0 | 0 | 0 | 108 | K51 | K51-P53 WeakPolarHBondContact O-CD 3.49Š|
| 54 | E | 44.1 | Very low | 58.9 | Low | 201 Ų | 201 | 140.5 Ų | 140.5 | 94% | 0.939 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 139.1 | 179.4 | -72.8 | 169.9 | 127.6 | 0 | 0 | 113.1 | ||
| 55 | G | 51.5 | Low | 60.9 | Low | 80 Ų | 80 | 136 Ų | 136 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | trans | 103.8 | 64.8 | 143 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 56 | E | 56 | Low | 62.8 | Low | 182 Ų | 182 | 136.7 Ų | 136.7 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | trans | -140.9 | 126.6 | 149.8 | -160 | 166.2 | -168.9 | 0 | 0 | 108.1 | V58 | E56-V58 PolarHBondContact O-N 2.95Š| ||
| 57 | K | 61.2 | Low | 64.8 | Low | 197 Ų | 197 | 135.2 Ų | 135.2 | 86% | 0.857 | 71% | 0.705 | S | S | * | * | trans | -57.3 | 109.6 | -176.8 | -83.8 | 174 | 173.6 | 174.1 | 0 | 108.9 | D59 | K57-D59 PolarHBondContact O-N 3.18Å; K57-D59 VanDerWaalsContact O-N 3.09Å | ||
| 58 | V | 61.6 | Low | 66.8 | Low | 96 Ų | 96 | 132.2 Ų | 132.2 | 58% | 0.582 | 69% | 0.687 | S | S | * | * | trans | -69.9 | 103 | 173.6 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | E56 F60 I63 | E56-V58 PolarHBondContact O-N 2.95Å; V58-F60 PolarHBondContact O-N 3.3Å; V58-I63 HydrophobicContact CG1-CD1 3.32Å; V58-I63 HydrophobicContact CG1-CG1 4.22Å | ||
| 59 | D | 72.6 | Confident | 68.8 | Low | 115 Ų | 115 | 130.8 Ų | 130.8 | 62% | 0.615 | 67% | 0.674 | S | S | * | * | trans | -70.2 | 107.1 | 174.8 | -87.4 | -30.7 | 0 | 0 | 0 | 109.6 | K57 D61 D62 I63 | K57-D59 PolarHBondContact O-N 3.18Å; K57-D59 VanDerWaalsContact O-N 3.09Å; D59-D61 PolarHBondContact O-N 2.67Å; D59-D62 HydrophobicContact CB-CB 3.98Å; D59-D62 WeakPolarHBondContact O-CB 3.46Å; D59-D62 PolarHBondContact O-N 3.31Å; D59-I63 PolarHBondContact O-N 2.93Å | ||
| 60 | F | 68 | Low | 71 | Confident | 168 Ų | 168 | 132 Ų | 132 | 74% | 0.737 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -59.7 | -30.8 | 179.9 | -72.9 | -84.1 | 0 | 0 | 0 | 112.9 | V58 D62 I63 Q64 | V58-F60 PolarHBondContact O-N 3.3Å; F60-D62 VanDerWaalsContact C-N 3.33Å; F60-I63 PolarHBondContact O-N 3.3Å; F60-Q64 PolarHBondContact O-N 3.15Å |
| 61 | D | 79.8 | Confident | 72.6 | Confident | 117 Ų | 117 | 129.9 Ų | 129.9 | 63% | 0.626 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.7 | -34.2 | 173.4 | -85.4 | -5.3 | 0 | 0 | 0 | 112.6 | D59 Q64 K65 | D59-D61 PolarHBondContact O-N 2.67Å; D61-Q64 PolarHBondContact O-N 2.9Å; D61-K65 WeakPolarHBondContact O-CB 3.29Å; D61-K65 WeakPolarHBondContact O-CG 3.46Å; D61-K65 PolarHBondContact O-N 3.41Å |
| 62 | D | 84.4 | Confident | 75 | Confident | 73 Ų | 73 | 125.4 Ų | 125.4 | 39% | 0.39 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -72.7 | -37.4 | 178 | -174.4 | 40.8 | 0 | 0 | 0 | 111 | D59 F60 K65 K66 | D59-D62 HydrophobicContact CB-CB 3.98Å; D59-D62 WeakPolarHBondContact O-CB 3.46Å; D59-D62 PolarHBondContact O-N 3.31Å; F60-D62 VanDerWaalsContact C-N 3.33Å; D62-K65 PolarHBondContact O-N 3.38Å; D62-K66 VanDerWaalsContact O-CB 3.32Å; D62-K66 WeakPolarHBondContact O-CB 3.3Å; D62-K66 VanDerWaalsContact O-CG 3.24Å; D62-K66 WeakPolarHBondContact O-CG 3.32Å; D62-K66 PolarHBondContact O-N 3.04Å; D62-K66 WeakPolarHBondContact OD1-CE 3.38Å; D62-K66 IonicContact OD1-NZ 3.77Å; D62-K66 WeakPolarHBondContact OD2-CE 3.43Å; D62-K66 IonicContact OD2-NZ 2.65Å; D62-K66 PolarHBondContact OD2-NZ 2.87Å |
| 63 | I | 81.6 | Confident | 77 | Confident | 89 Ų | 89 | 124.9 Ų | 124.9 | 46% | 0.456 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.6 | -44.6 | 172.1 | -66.8 | -179.9 | 0 | 0 | 0 | 110.9 | V58 D59 F60 K66 R67 | V58-I63 HydrophobicContact CG1-CD1 3.32Å; V58-I63 HydrophobicContact CG1-CG1 4.22Å; D59-I63 PolarHBondContact O-N 2.93Å; F60-I63 PolarHBondContact O-N 3.3Å; I63-K66 PolarHBondContact O-N 3.37Å; I63-R67 WeakPolarHBondContact O-CB 3.4Å; I63-R67 PolarHBondContact O-N 2.93Å |
| 64 | Q | 85.3 | Confident | 78.9 | Confident | 114 Ų | 114 | 124 Ų | 124 | 53% | 0.533 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.5 | -40.8 | -179.5 | -170.6 | 168.6 | -10 | 0 | 0 | 111.9 | F60 D61 R67 Q68 | F60-Q64 PolarHBondContact O-N 3.15Å; D61-Q64 PolarHBondContact O-N 2.9Å; Q64-R67 PolarHBondContact O-N 3.3Å; Q64-Q68 WeakPolarHBondContact O-CG 3.49Å; Q64-Q68 PolarHBondContact O-N 2.98Å |
| 65 | K | 88.8 | Confident | 81.3 | Confident | 125 Ų | 125 | 119 Ų | 119 | 54% | 0.543 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.6 | -42.4 | 173.3 | -76.1 | 175.8 | -176.3 | 172.5 | 0 | 112.6 | D61 D62 R67 Q68 N69 | D61-K65 WeakPolarHBondContact O-CB 3.29Å; D61-K65 WeakPolarHBondContact O-CG 3.46Å; D61-K65 PolarHBondContact O-N 3.41Å; D62-K65 PolarHBondContact O-N 3.38Å; K65-R67 VanDerWaalsContact C-N 3.31Å; K65-R67 PolarHBondContact O-N 3.03Å; K65-Q68 PolarHBondContact O-N 2.86Å; K65-N69 WeakPolarHBondContact O-CB 3.3Å; K65-N69 PolarHBondContact O-N 3.28Å; K65-N69 PolarHBondContact O-ND2 2.95Å |
| 66 | K | 89.1 | Confident | 83.3 | Confident | 124 Ų | 124 | 120 Ų | 120 | 54% | 0.539 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.5 | -38.6 | 175.5 | -76.9 | 171.5 | 179.2 | 165.8 | 0 | 111.8 | D62 I63 K70 | D62-K66 VanDerWaalsContact O-CB 3.32Å; D62-K66 WeakPolarHBondContact O-CB 3.3Å; D62-K66 VanDerWaalsContact O-CG 3.24Å; D62-K66 WeakPolarHBondContact O-CG 3.32Å; D62-K66 PolarHBondContact O-N 3.04Å; D62-K66 WeakPolarHBondContact OD1-CE 3.38Å; D62-K66 IonicContact OD1-NZ 3.77Å; D62-K66 WeakPolarHBondContact OD2-CE 3.43Å; D62-K66 IonicContact OD2-NZ 2.65Å; D62-K66 PolarHBondContact OD2-NZ 2.87Å; I63-K66 PolarHBondContact O-N 3.37Å; K66-K70 VanDerWaalsContact O-CB 3.31Å; K66-K70 WeakPolarHBondContact O-CB 3.3Å; K66-K70 PolarHBondContact O-N 3.11Å |
| 67 | R | 89.6 | Confident | 85.1 | Confident | 172 Ų | 172 | 114.1 Ų | 114.1 | 65% | 0.649 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.9 | -50.7 | 173.2 | -177.2 | 179.3 | 174.9 | -180 | 1.9 | 111.6 | I63 Q64 K65 N69 K70 D71 | I63-R67 WeakPolarHBondContact O-CB 3.4Å; I63-R67 PolarHBondContact O-N 2.93Å; Q64-R67 PolarHBondContact O-N 3.3Å; K65-R67 VanDerWaalsContact C-N 3.31Å; K65-R67 PolarHBondContact O-N 3.03Å; R67-N69 VanDerWaalsContact C-N 3.33Å; R67-N69 PolarHBondContact O-N 3.03Å; R67-K70 WeakPolarHBondContact O-CB 3.48Å; R67-K70 PolarHBondContact O-N 3.14Å; R67-K70 VanDerWaalsContact O-N 3.15Å; R67-D71 IonicContact NE-OD2 3.84Å; R67-D71 PolarHBondContact O-N 2.99Å |
| 68 | Q | 87.9 | Confident | 86.7 | Confident | 104 Ų | 104 | 110.3 Ų | 110.3 | 49% | 0.486 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 178.1 | -74.2 | 177.2 | -24.5 | 0 | 0 | 112.3 | Q64 K65 D71 L72 | Q64-Q68 WeakPolarHBondContact O-CG 3.49Å; Q64-Q68 PolarHBondContact O-N 2.98Å; K65-Q68 PolarHBondContact O-N 2.86Å; Q68-D71 PolarHBondContact O-N 3.44Å; Q68-L72 WeakPolarHBondContact O-CB 3.02Å; Q68-L72 VanDerWaalsContact O-CG 3.24Å; Q68-L72 WeakPolarHBondContact O-CG 3.46Å; Q68-L72 PolarHBondContact O-N 2.99Å |
| 69 | N | 91.1 | Very high | 88.3 | Confident | 98 Ų | 98 | 109.1 Ų | 109.1 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 176.3 | -74.3 | -18.7 | 0 | 0 | 0 | 112 | K65 R67 L72 M73 | K65-N69 WeakPolarHBondContact O-CB 3.3Å; K65-N69 PolarHBondContact O-N 3.28Å; K65-N69 PolarHBondContact O-ND2 2.95Å; R67-N69 VanDerWaalsContact C-N 3.33Å; R67-N69 PolarHBondContact O-N 3.03Å; N69-L72 PolarHBondContact O-N 2.92Å; N69-M73 WeakPolarHBondContact O-CB 3.32Å; N69-M73 VanDerWaalsContact O-CG 3.26Å; N69-M73 WeakPolarHBondContact O-CG 3.45Å; N69-M73 PolarHBondContact O-N 3.35Å |
| 70 | K | 93.4 | Very high | 89.4 | Confident | 121 Ų | 121 | 107.5 Ų | 107.5 | 53% | 0.526 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 174.2 | -179.9 | -176 | 167.8 | -175.6 | 0 | 111 | K66 R67 L72 M73 E74 | K66-K70 VanDerWaalsContact O-CB 3.31Å; K66-K70 WeakPolarHBondContact O-CB 3.3Å; K66-K70 PolarHBondContact O-N 3.11Å; R67-K70 WeakPolarHBondContact O-CB 3.48Å; R67-K70 PolarHBondContact O-N 3.14Å; R67-K70 VanDerWaalsContact O-N 3.15Å; K70-L72 VanDerWaalsContact C-N 3.28Å; K70-L72 PolarHBondContact O-N 3.22Å; K70-M73 PolarHBondContact O-N 3.44Å; K70-M73 VanDerWaalsContact O-N 3.14Å; K70-E74 WeakPolarHBondContact CE-OE1 3.49Å; K70-E74 HydrophobicContact CG-CG 4.4Å; K70-E74 IonicContact NZ-OE1 3.53Å; K70-E74 WeakPolarHBondContact O-CB 3.35Å; K70-E74 WeakPolarHBondContact O-CG 3.45Å; K70-E74 PolarHBondContact O-N 2.89Å |
| 71 | D | 92.6 | Very high | 90.7 | Very high | 74 Ų | 74 | 103 Ų | 103 | 40% | 0.396 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | -180 | -63.1 | -11.8 | 0 | 0 | 0 | 110.9 | R67 Q68 L75 | R67-D71 IonicContact NE-OD2 3.84Å; R67-D71 PolarHBondContact O-N 2.99Å; Q68-D71 PolarHBondContact O-N 3.44Å; D71-L75 VanDerWaalsContact O-CB 3.25Å; D71-L75 WeakPolarHBondContact O-CB 3.45Å; D71-L75 PolarHBondContact O-N 3.06Å |
| 72 | L | 93.8 | Very high | 91.5 | Very high | 111 Ų | 111 | 103 Ų | 103 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.8 | -41.3 | 174.2 | -75.2 | 171 | 0 | 0 | 0 | 112.6 | Q68 N69 K70 Q76 | Q68-L72 WeakPolarHBondContact O-CB 3.02Å; Q68-L72 VanDerWaalsContact O-CG 3.24Å; Q68-L72 WeakPolarHBondContact O-CG 3.46Å; Q68-L72 PolarHBondContact O-N 2.99Å; N69-L72 PolarHBondContact O-N 2.92Å; K70-L72 VanDerWaalsContact C-N 3.28Å; K70-L72 PolarHBondContact O-N 3.22Å; L72-Q76 WeakPolarHBondContact O-CB 3.34Å; L72-Q76 PolarHBondContact O-N 3.39Å |
| 73 | M | 92.6 | Very high | 92.1 | Very high | 143 Ų | 143 | 106 Ų | 106 | 70% | 0.704 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.9 | -40.7 | 176.6 | -74 | -178.4 | 75 | 0 | 0 | 111.9 | N69 K70 Q76 A77 | N69-M73 WeakPolarHBondContact O-CB 3.32Å; N69-M73 VanDerWaalsContact O-CG 3.26Å; N69-M73 WeakPolarHBondContact O-CG 3.45Å; N69-M73 PolarHBondContact O-N 3.35Å; K70-M73 PolarHBondContact O-N 3.44Å; K70-M73 VanDerWaalsContact O-N 3.14Å; M73-Q76 PolarHBondContact O-N 3.4Å; M73-A77 WeakPolarHBondContact O-CB 3.5Å; M73-A77 PolarHBondContact O-N 3.37Å |
| 74 | E | 92 | Very high | 92.8 | Very high | 101 Ų | 101 | 106.3 Ų | 106.3 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 175.4 | -73.9 | -179.7 | 172.2 | 0 | 0 | 111.3 | K70 A77 L78 | K70-E74 WeakPolarHBondContact CE-OE1 3.49Å; K70-E74 HydrophobicContact CG-CG 4.4Å; K70-E74 IonicContact NZ-OE1 3.53Å; K70-E74 WeakPolarHBondContact O-CB 3.35Å; K70-E74 WeakPolarHBondContact O-CG 3.45Å; K70-E74 PolarHBondContact O-N 2.89Å; E74-A77 PolarHBondContact O-N 3.39Å; E74-L78 WeakPolarHBondContact O-CB 3.48Å; E74-L78 PolarHBondContact O-N 3Å |
| 75 | L | 94.1 | Very high | 93.3 | Very high | 95 Ų | 95 | 103.5 Ų | 103.5 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 175 | -175.9 | 64.2 | 0 | 0 | 0 | 111.6 | D71 L78 I79 | D71-L75 VanDerWaalsContact O-CB 3.25Å; D71-L75 WeakPolarHBondContact O-CB 3.45Å; D71-L75 PolarHBondContact O-N 3.06Å; L75-L78 PolarHBondContact O-N 3.38Å; L75-I79 HydrophobicContact CD1-CD1 4.35Å; L75-I79 HydrophobicContact CG-CD1 3.98Å; L75-I79 WeakPolarHBondContact O-CB 3.36Å; L75-I79 VanDerWaalsContact O-CG1 3.22Å; L75-I79 WeakPolarHBondContact O-CG1 3.45Å; L75-I79 PolarHBondContact O-N 2.89Å |
| 76 | Q | 93.7 | Very high | 93.6 | Very high | 100 Ų | 100 | 103.9 Ų | 103.9 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 176 | -175.2 | 61.2 | 52.9 | 0 | 0 | 111.3 | L72 M73 L78 I79 D80 | L72-Q76 WeakPolarHBondContact O-CB 3.34Å; L72-Q76 PolarHBondContact O-N 3.39Å; M73-Q76 PolarHBondContact O-N 3.4Å; Q76-L78 VanDerWaalsContact C-N 3.34Å; Q76-L78 PolarHBondContact O-N 2.98Å; Q76-I79 PolarHBondContact O-N 2.97Å; Q76-D80 VanDerWaalsContact NE2-CG 3.32Å; Q76-D80 PolarHBondContact NE2-OD1 2.94Å; Q76-D80 PolarHBondContact NE2-OD2 3.39Å; Q76-D80 VanDerWaalsContact O-CG 3.3Å; Q76-D80 PolarHBondContact O-N 2.71Å |
| 77 | A | 94 | Very high | 94 | Very high | 59 Ų | 59 | 103 Ų | 103 | 49% | 0.488 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M73 E74 S81 | M73-A77 WeakPolarHBondContact O-CB 3.5Å; M73-A77 PolarHBondContact O-N 3.37Å; E74-A77 PolarHBondContact O-N 3.39Å; A77-S81 WeakPolarHBondContact O-CB 3.45Å; A77-S81 PolarHBondContact O-N 2.87Å |
| 78 | L | 95.9 | Very high | 94.3 | Very high | 118 Ų | 118 | 100.4 Ų | 100.4 | 62% | 0.618 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.9 | -42 | 176.3 | -174.8 | 66.1 | 0 | 0 | 0 | 111.6 | E74 L75 Q76 S81 H82 | E74-L78 WeakPolarHBondContact O-CB 3.48Å; E74-L78 PolarHBondContact O-N 3Å; L75-L78 PolarHBondContact O-N 3.38Å; Q76-L78 VanDerWaalsContact C-N 3.34Å; Q76-L78 PolarHBondContact O-N 2.98Å; L78-S81 PolarHBondContact O-N 3.43Å; L78-H82 WeakPolarHBondContact O-CB 3.47Å; L78-H82 PolarHBondContact O-N 2.95Å |
| 79 | I | 94.5 | Very high | 94.6 | Very high | 70 Ų | 70 | 101.5 Ų | 101.5 | 36% | 0.359 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.8 | -52.2 | 175.5 | -72.5 | 167.3 | 0 | 0 | 0 | 110 | L75 Q76 S81 H82 F83 | L75-I79 HydrophobicContact CD1-CD1 4.35Å; L75-I79 HydrophobicContact CG-CD1 3.98Å; L75-I79 WeakPolarHBondContact O-CB 3.36Å; L75-I79 VanDerWaalsContact O-CG1 3.22Å; L75-I79 WeakPolarHBondContact O-CG1 3.45Å; L75-I79 PolarHBondContact O-N 2.89Å; Q76-I79 PolarHBondContact O-N 2.97Å; I79-S81 VanDerWaalsContact C-N 3.34Å; I79-S81 PolarHBondContact O-N 3.16Å; I79-H82 PolarHBondContact O-N 2.8Å; I79-F83 HydrophobicContact CG2-CD2 3.69Å; I79-F83 HydrophobicContact CG2-CE2 3.66Å; I79-F83 VanDerWaalsContact O-CD2 3.23Å; I79-F83 WeakPolarHBondContact O-CD2 3.4Å; I79-F83 PolarHBondContact O-N 3.47Å |
| 80 | D | 95.3 | Very high | 94.8 | Very high | 81 Ų | 81 | 101.3 Ų | 101.3 | 43% | 0.433 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | -178.8 | -66.4 | -25.4 | 0 | 0 | 0 | 111.3 | Q76 H82 F83 E84 | Q76-D80 VanDerWaalsContact NE2-CG 3.32Å; Q76-D80 PolarHBondContact NE2-OD1 2.94Å; Q76-D80 PolarHBondContact NE2-OD2 3.39Å; Q76-D80 VanDerWaalsContact O-CG 3.3Å; Q76-D80 PolarHBondContact O-N 2.71Å; D80-H82 VanDerWaalsContact C-N 3.34Å; D80-H82 PolarHBondContact O-N 3.42Å; D80-F83 PolarHBondContact O-N 2.99Å; D80-E84 WeakPolarHBondContact O-CB 3.41Å; D80-E84 WeakPolarHBondContact O-CG 3.28Å; D80-E84 PolarHBondContact O-N 3.18Å |
| 81 | S | 95.9 | Very high | 94.8 | Very high | 75 Ų | 75 | 100.7 Ų | 100.7 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 174.6 | -174.9 | 0 | 0 | 0 | 0 | 112.3 | A77 L78 I79 A85 | A77-S81 WeakPolarHBondContact O-CB 3.45Å; A77-S81 PolarHBondContact O-N 2.87Å; L78-S81 PolarHBondContact O-N 3.43Å; I79-S81 VanDerWaalsContact C-N 3.34Å; I79-S81 PolarHBondContact O-N 3.16Å; S81-A85 WeakPolarHBondContact O-CB 3.48Å; S81-A85 PolarHBondContact O-N 3.16Å |
| 82 | H | 96.7 | Very high | 94.9 | Very high | 115 Ų | 115 | 103.8 Ų | 103.8 | 53% | 0.532 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 179.4 | -179.3 | -83.6 | 0 | 0 | 0 | 111.6 | L78 I79 D80 R86 | L78-H82 WeakPolarHBondContact O-CB 3.47Å; L78-H82 PolarHBondContact O-N 2.95Å; I79-H82 PolarHBondContact O-N 2.8Å; D80-H82 VanDerWaalsContact C-N 3.34Å; D80-H82 PolarHBondContact O-N 3.42Å; H82-R86 VanDerWaalsContact O-CB 3.31Å; H82-R86 WeakPolarHBondContact O-CB 3.35Å; H82-R86 PolarHBondContact O-N 3.04Å |
| 83 | F | 96.6 | Very high | 95 | Very high | 136 Ų | 136 | 102.5 Ų | 102.5 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.8 | -42.8 | 177 | -80.1 | -68.2 | 0 | 0 | 0 | 112.5 | I79 D80 K87 | I79-F83 HydrophobicContact CG2-CD2 3.69Å; I79-F83 HydrophobicContact CG2-CE2 3.66Å; I79-F83 VanDerWaalsContact O-CD2 3.23Å; I79-F83 WeakPolarHBondContact O-CD2 3.4Å; I79-F83 PolarHBondContact O-N 3.47Å; D80-F83 PolarHBondContact O-N 2.99Å; F83-K87 WeakPolarHBondContact O-CB 3.32Å; F83-K87 PolarHBondContact O-N 3.47Å |
| 84 | E | 95.8 | Very high | 95.1 | Very high | 97 Ų | 97 | 100.1 Ų | 100.1 | 45% | 0.453 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 176.7 | -77.1 | -66.9 | 152.3 | 0 | 0 | 112.2 | D80 K88 | D80-E84 WeakPolarHBondContact O-CB 3.41Å; D80-E84 WeakPolarHBondContact O-CG 3.28Å; D80-E84 PolarHBondContact O-N 3.18Å; E84-K88 WeakPolarHBondContact O-CB 3.28Å; E84-K88 VanDerWaalsContact O-CG 3.28Å; E84-K88 WeakPolarHBondContact O-CG 3.3Å; E84-K88 PolarHBondContact O-N 3.15Å |
| 85 | A | 95.6 | Very high | 95.3 | Very high | 54 Ų | 54 | 97.5 Ų | 97.5 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -50.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S81 K87 K88 E89 | S81-A85 WeakPolarHBondContact O-CB 3.48Å; S81-A85 PolarHBondContact O-N 3.16Å; A85-K87 PolarHBondContact O-N 3.27Å; A85-K88 PolarHBondContact O-N 3.07Å; A85-E89 WeakPolarHBondContact O-CB 3.44Å; A85-E89 PolarHBondContact O-N 3.41Å |
| 86 | R | 96 | Very high | 95.5 | Very high | 134 Ų | 134 | 97.2 Ų | 97.2 | 51% | 0.506 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 179.2 | -171.6 | 175.8 | -176.1 | 106.9 | 3.1 | 112.5 | H82 E89 E90 | H82-R86 VanDerWaalsContact O-CB 3.31Å; H82-R86 WeakPolarHBondContact O-CB 3.35Å; H82-R86 PolarHBondContact O-N 3.04Å; R86-E89 PolarHBondContact O-N 3.38Å; R86-E90 HydrophobicContact CG-CG 4.35Å; R86-E90 IonicContact CZ-OE1 3.92Å; R86-E90 IonicContact NE-OE1 3.62Å; R86-E90 PolarHBondContact NE-OE1 3.49Å; R86-E90 IonicContact NH2-OE1 3.23Å; R86-E90 WeakPolarHBondContact O-CB 3.45Å; R86-E90 WeakPolarHBondContact O-CG 3.23Å; R86-E90 PolarHBondContact O-N 2.87Å |
| 87 | K | 96.3 | Very high | 95.6 | Very high | 105 Ų | 105 | 98.6 Ų | 98.6 | 46% | 0.457 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 177.7 | -177.5 | -178.1 | 172.8 | -167.9 | 0 | 111.4 | F83 A85 E90 E91 | F83-K87 WeakPolarHBondContact O-CB 3.32Å; F83-K87 PolarHBondContact O-N 3.47Å; A85-K87 PolarHBondContact O-N 3.27Å; K87-E90 PolarHBondContact O-N 3.5Å; K87-E91 WeakPolarHBondContact CE-OE1 3.38Å; K87-E91 WeakPolarHBondContact O-CB 3.34Å; K87-E91 VanDerWaalsContact O-CG 3.29Å; K87-E91 WeakPolarHBondContact O-CG 3.34Å; K87-E91 PolarHBondContact O-N 2.94Å |
| 88 | K | 96.5 | Very high | 95.7 | Very high | 117 Ų | 117 | 101.7 Ų | 101.7 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 175.5 | -73.3 | 172.3 | -174.6 | 175 | 0 | 111.7 | E84 A85 E91 E92 | E84-K88 WeakPolarHBondContact O-CB 3.28Å; E84-K88 VanDerWaalsContact O-CG 3.28Å; E84-K88 WeakPolarHBondContact O-CG 3.3Å; E84-K88 PolarHBondContact O-N 3.15Å; A85-K88 PolarHBondContact O-N 3.07Å; K88-E91 PolarHBondContact O-N 2.96Å; K88-E92 WeakPolarHBondContact O-CB 3.49Å; K88-E92 VanDerWaalsContact O-CG 3.32Å; K88-E92 WeakPolarHBondContact O-CG 3.49Å; K88-E92 PolarHBondContact O-N 3.42Å |
| 89 | E | 94.3 | Very high | 95.7 | Very high | 127 Ų | 127 | 103.5 Ų | 103.5 | 59% | 0.593 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.7 | -44.1 | 176.6 | -170.5 | -173.7 | 168 | 0 | 0 | 111.9 | A85 R86 E92 L93 | A85-E89 WeakPolarHBondContact O-CB 3.44Å; A85-E89 PolarHBondContact O-N 3.41Å; R86-E89 PolarHBondContact O-N 3.38Å; E89-E92 PolarHBondContact O-N 3.5Å; E89-L93 VanDerWaalsContact O-CB 3.23Å; E89-L93 WeakPolarHBondContact O-CB 3.16Å; E89-L93 PolarHBondContact O-N 3.27Å |
| 90 | E | 94.3 | Very high | 95.8 | Very high | 95 Ų | 95 | 103.2 Ų | 103.2 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 176.2 | -75.4 | 178.9 | -171.6 | 0 | 0 | 111.8 | R86 K87 L93 I94 | R86-E90 HydrophobicContact CG-CG 4.35Å; R86-E90 IonicContact CZ-OE1 3.92Å; R86-E90 IonicContact NE-OE1 3.62Å; R86-E90 PolarHBondContact NE-OE1 3.49Å; R86-E90 IonicContact NH2-OE1 3.23Å; R86-E90 WeakPolarHBondContact O-CB 3.45Å; R86-E90 WeakPolarHBondContact O-CG 3.23Å; R86-E90 PolarHBondContact O-N 2.87Å; K87-E90 PolarHBondContact O-N 3.5Å; E90-L93 PolarHBondContact O-N 3.38Å; E90-I94 WeakPolarHBondContact O-CB 3.41Å; E90-I94 WeakPolarHBondContact O-CD1 3.34Å; E90-I94 WeakPolarHBondContact O-CG1 3.24Å; E90-I94 PolarHBondContact O-N 2.91Å |
| 91 | E | 95.3 | Very high | 95.8 | Very high | 107 Ų | 107 | 105.8 Ų | 105.8 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 175.5 | -76 | 175.1 | -172.6 | 0 | 0 | 112 | K87 K88 I94 A95 | K87-E91 WeakPolarHBondContact CE-OE1 3.38Å; K87-E91 WeakPolarHBondContact O-CB 3.34Å; K87-E91 VanDerWaalsContact O-CG 3.29Å; K87-E91 WeakPolarHBondContact O-CG 3.34Å; K87-E91 PolarHBondContact O-N 2.94Å; K88-E91 PolarHBondContact O-N 2.96Å; E91-I94 PolarHBondContact O-N 3.48Å; E91-A95 WeakPolarHBondContact O-CB 3.37Å; E91-A95 PolarHBondContact O-N 3.22Å |
| 92 | E | 94.6 | Very high | 95.9 | Very high | 140 Ų | 140 | 108.6 Ų | 108.6 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.5 | -41.7 | 176.1 | -74.5 | 176.4 | -168.5 | 0 | 0 | 111.9 | K88 E89 A95 L96 | K88-E92 WeakPolarHBondContact O-CB 3.49Å; K88-E92 VanDerWaalsContact O-CG 3.32Å; K88-E92 WeakPolarHBondContact O-CG 3.49Å; K88-E92 PolarHBondContact O-N 3.42Å; E89-E92 PolarHBondContact O-N 3.5Å; E92-A95 PolarHBondContact O-N 3.08Å; E92-L96 WeakPolarHBondContact O-CB 3.44Å; E92-L96 PolarHBondContact O-N 3.47Å |
| 93 | L | 95.3 | Very high | 95.8 | Very high | 83 Ų | 83 | 108.8 Ų | 108.8 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 178.9 | -168.8 | 143.1 | 0 | 0 | 0 | 111.7 | E89 E90 K97 | E89-L93 VanDerWaalsContact O-CB 3.23Å; E89-L93 WeakPolarHBondContact O-CB 3.16Å; E89-L93 PolarHBondContact O-N 3.27Å; E90-L93 PolarHBondContact O-N 3.38Å; L93-K97 HydrophobicContact CD2-CD 3.83Å; L93-K97 HydrophobicContact CD2-CG 4.49Å; L93-K97 VanDerWaalsContact CD2-NZ 3.32Å; L93-K97 WeakPolarHBondContact O-CB 3.23Å; L93-K97 WeakPolarHBondContact O-CG 3.26Å; L93-K97 PolarHBondContact O-N 2.96Å |
| 94 | I | 94.9 | Very high | 95.8 | Very high | 93 Ų | 93 | 110.2 Ų | 110.2 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -49.1 | 171.8 | -69.9 | 164.4 | 0 | 0 | 0 | 110.1 | E90 E91 L96 K97 E98 | E90-I94 WeakPolarHBondContact O-CB 3.41Å; E90-I94 WeakPolarHBondContact O-CD1 3.34Å; E90-I94 WeakPolarHBondContact O-CG1 3.24Å; E90-I94 PolarHBondContact O-N 2.91Å; E91-I94 PolarHBondContact O-N 3.48Å; I94-L96 VanDerWaalsContact C-N 3.27Å; I94-L96 PolarHBondContact O-N 3Å; I94-K97 PolarHBondContact O-N 2.97Å; I94-K97 VanDerWaalsContact O-N 3.15Å; I94-E98 HydrophobicContact CG2-CG 4.39Å; I94-E98 WeakPolarHBondContact O-CG 3.48Å; I94-E98 PolarHBondContact O-N 3.2Å |
| 95 | A | 96.8 | Very high | 95.6 | Very high | 46 Ų | 46 | 108.3 Ų | 108.3 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -36.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E91 E92 R99 | E91-A95 WeakPolarHBondContact O-CB 3.37Å; E91-A95 PolarHBondContact O-N 3.22Å; E92-A95 PolarHBondContact O-N 3.08Å; A95-R99 PolarHBondContact O-N 3.05Å; A95-R99 VanDerWaalsContact O-N 3.15Å |
| 96 | L | 96.4 | Very high | 95.6 | Very high | 89 Ų | 89 | 109.7 Ų | 109.7 | 47% | 0.466 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.4 | -46.4 | 174.7 | -177.9 | 60.7 | 0 | 0 | 0 | 111.5 | E92 I94 E98 R99 I100 | E92-L96 WeakPolarHBondContact O-CB 3.44Å; E92-L96 PolarHBondContact O-N 3.47Å; I94-L96 VanDerWaalsContact C-N 3.27Å; I94-L96 PolarHBondContact O-N 3Å; L96-E98 PolarHBondContact O-N 3.26Å; L96-R99 PolarHBondContact O-N 3.28Å; L96-I100 HydrophobicContact CD1-CD1 4.39Å; L96-I100 HydrophobicContact CG-CD1 4.15Å; L96-I100 WeakPolarHBondContact O-CG1 3.38Å; L96-I100 PolarHBondContact O-N 3.47Å |
| 97 | K | 96 | Very high | 95.7 | Very high | 130 Ų | 130 | 110 Ų | 110 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.2 | -46.3 | 176.1 | -78.5 | 177.7 | 176.9 | 173.9 | 0 | 111.8 | L93 I94 R99 I100 E101 | L93-K97 HydrophobicContact CD2-CD 3.83Å; L93-K97 HydrophobicContact CD2-CG 4.49Å; L93-K97 VanDerWaalsContact CD2-NZ 3.32Å; L93-K97 WeakPolarHBondContact O-CB 3.23Å; L93-K97 WeakPolarHBondContact O-CG 3.26Å; L93-K97 PolarHBondContact O-N 2.96Å; I94-K97 PolarHBondContact O-N 2.97Å; I94-K97 VanDerWaalsContact O-N 3.15Å; K97-R99 VanDerWaalsContact C-N 3.28Å; K97-R99 PolarHBondContact O-N 3.2Å; K97-I100 PolarHBondContact O-N 3.2Å; K97-I100 VanDerWaalsContact O-N 3.13Å; K97-E101 WeakPolarHBondContact O-CB 3.46Å; K97-E101 PolarHBondContact O-N 3.1Å |
| 98 | E | 96.3 | Very high | 95.6 | Very high | 123 Ų | 123 | 107.3 Ų | 107.3 | 58% | 0.575 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.8 | -39.7 | 176.1 | -73.2 | -176.9 | 171.8 | 0 | 0 | 111.7 | I94 L96 E101 K102 | I94-E98 HydrophobicContact CG2-CG 4.39Å; I94-E98 WeakPolarHBondContact O-CG 3.48Å; I94-E98 PolarHBondContact O-N 3.2Å; L96-E98 PolarHBondContact O-N 3.26Å; E98-E101 PolarHBondContact O-N 3.46Å; E98-K102 VanDerWaalsContact O-CB 3.27Å; E98-K102 WeakPolarHBondContact O-CB 3.35Å; E98-K102 PolarHBondContact O-N 3.19Å |
| 99 | R | 97.1 | Very high | 95.4 | Very high | 156 Ų | 156 | 107.5 Ų | 107.5 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.6 | -35.5 | 176.8 | -167.6 | -175.7 | -61.3 | 159.6 | 3.3 | 112.7 | A95 L96 K97 R103 | A95-R99 PolarHBondContact O-N 3.05Å; A95-R99 VanDerWaalsContact O-N 3.15Å; L96-R99 PolarHBondContact O-N 3.28Å; K97-R99 VanDerWaalsContact C-N 3.28Å; K97-R99 PolarHBondContact O-N 3.2Å; R99-R103 WeakPolarHBondContact O-CG 3.48Å; R99-R103 PolarHBondContact O-N 3.35Å; R99-R103 PolarHBondContact O-NE 3.28Å |
| 100 | I | 95.8 | Very high | 95.4 | Very high | 64 Ų | 64 | 106.2 Ų | 106.2 | 33% | 0.328 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.7 | -47 | 175 | -69 | 169.3 | 0 | 0 | 0 | 109.9 | L96 K97 K102 R103 R104 | L96-I100 HydrophobicContact CD1-CD1 4.39Å; L96-I100 HydrophobicContact CG-CD1 4.15Å; L96-I100 WeakPolarHBondContact O-CG1 3.38Å; L96-I100 PolarHBondContact O-N 3.47Å; K97-I100 PolarHBondContact O-N 3.2Å; K97-I100 VanDerWaalsContact O-N 3.13Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 3.38Å; I100-R103 PolarHBondContact O-N 2.81Å; I100-R103 VanDerWaalsContact O-N 3.17Å; I100-R104 HydrophobicContact CG2-CG 4.46Å; I100-R104 WeakPolarHBondContact O-CG 3.16Å; I100-R104 PolarHBondContact O-N 3.46Å |
| 101 | E | 95.8 | Very high | 95.3 | Very high | 136 Ų | 136 | 108 Ų | 108 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.7 | -43.8 | 178.7 | -172.4 | 173 | -170.2 | 0 | 0 | 111.2 | K97 E98 R103 R104 A105 | K97-E101 WeakPolarHBondContact O-CB 3.46Å; K97-E101 PolarHBondContact O-N 3.1Å; E98-E101 PolarHBondContact O-N 3.46Å; E101-R103 PolarHBondContact O-N 3.36Å; E101-R104 PolarHBondContact O-N 3.46Å; E101-A105 WeakPolarHBondContact O-CB 3.35Å; E101-A105 PolarHBondContact O-N 2.95Å |
| 102 | K | 96.8 | Very high | 95.1 | Very high | 134 Ų | 134 | 112.3 Ų | 112.3 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.3 | -45.9 | 173.6 | -170.2 | -177.6 | 179.2 | -170.6 | 0 | 112.1 | E98 I100 R104 A105 E106 | E98-K102 VanDerWaalsContact O-CB 3.27Å; E98-K102 WeakPolarHBondContact O-CB 3.35Å; E98-K102 PolarHBondContact O-N 3.19Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 3.38Å; K102-R104 PolarHBondContact O-N 2.94Å; K102-A105 PolarHBondContact O-N 2.95Å; K102-E106 VanDerWaalsContact CE-OE1 3.22Å; K102-E106 WeakPolarHBondContact CE-OE1 3.42Å; K102-E106 WeakPolarHBondContact O-CB 3.43Å; K102-E106 WeakPolarHBondContact O-CG 3.19Å; K102-E106 PolarHBondContact O-N 3.17Å |
| 103 | R | 95.9 | Very high | 95 | Very high | 118 Ų | 118 | 108.9 Ų | 108.9 | 45% | 0.445 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -37.5 | 177.1 | -79.6 | -175.2 | -79.9 | 173 | -4.5 | 112.6 | R99 I100 E101 R107 | R99-R103 WeakPolarHBondContact O-CG 3.48Å; R99-R103 PolarHBondContact O-N 3.35Å; R99-R103 PolarHBondContact O-NE 3.28Å; I100-R103 PolarHBondContact O-N 2.81Å; I100-R103 VanDerWaalsContact O-N 3.17Å; E101-R103 PolarHBondContact O-N 3.36Å; R103-R107 WeakPolarHBondContact O-CG 3.45Å; R103-R107 PolarHBondContact O-N 3.47Å |
| 104 | R | 95.9 | Very high | 94.9 | Very high | 167 Ų | 167 | 112.9 Ų | 112.9 | 63% | 0.63 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.7 | -44.1 | 174.2 | -75.5 | -177.9 | 176.8 | -175.8 | -1.7 | 111.1 | I100 E101 K102 R107 A108 | I100-R104 HydrophobicContact CG2-CG 4.46Å; I100-R104 WeakPolarHBondContact O-CG 3.16Å; I100-R104 PolarHBondContact O-N 3.46Å; E101-R104 PolarHBondContact O-N 3.46Å; K102-R104 PolarHBondContact O-N 2.94Å; R104-R107 PolarHBondContact O-N 3.43Å; R104-A108 WeakPolarHBondContact O-CB 3.3Å; R104-A108 PolarHBondContact O-N 2.94Å |
| 105 | A | 92.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 111.4 Ų | 111.4 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E101 K102 R107 A108 E109 | E101-A105 WeakPolarHBondContact O-CB 3.35Å; E101-A105 PolarHBondContact O-N 2.95Å; K102-A105 PolarHBondContact O-N 2.95Å; A105-R107 PolarHBondContact O-N 3.48Å; A105-A108 PolarHBondContact O-N 3.48Å; A105-E109 WeakPolarHBondContact O-CB 3.19Å; A105-E109 PolarHBondContact O-N 2.87Å |
| 106 | E | 95.5 | Very high | 94.5 | Very high | 82 Ų | 82 | 115.7 Ų | 115.7 | 38% | 0.383 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 175.4 | -75.2 | 171.4 | -175.9 | 0 | 0 | 111.9 | K102 E109 Q110 | K102-E106 VanDerWaalsContact CE-OE1 3.22Å; K102-E106 WeakPolarHBondContact CE-OE1 3.42Å; K102-E106 WeakPolarHBondContact O-CB 3.43Å; K102-E106 WeakPolarHBondContact O-CG 3.19Å; K102-E106 PolarHBondContact O-N 3.17Å; E106-E109 PolarHBondContact O-N 3Å; E106-Q110 WeakPolarHBondContact O-CB 3.38Å; E106-Q110 VanDerWaalsContact O-CG 3.29Å; E106-Q110 WeakPolarHBondContact O-CG 3.2Å; E106-Q110 PolarHBondContact O-N 3.13Å |
| 107 | R | 96.3 | Very high | 94.4 | Very high | 142 Ų | 142 | 117.5 Ų | 117.5 | 54% | 0.536 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 174.6 | -79.3 | -174.5 | -103 | 137.9 | -16.3 | 112.2 | R103 R104 A105 E109 Q110 Q111 | R103-R107 WeakPolarHBondContact O-CG 3.45Å; R103-R107 PolarHBondContact O-N 3.47Å; R104-R107 PolarHBondContact O-N 3.43Å; A105-R107 PolarHBondContact O-N 3.48Å; R107-E109 VanDerWaalsContact C-N 3.31Å; R107-E109 PolarHBondContact O-N 3.44Å; R107-Q110 PolarHBondContact O-N 2.92Å; R107-Q111 PolarHBondContact O-N 3.41Å |
| 108 | A | 94.3 | Very high | 94.1 | Very high | 47 Ų | 47 | 115.5 Ų | 115.5 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R104 A105 Q111 R112 | R104-A108 WeakPolarHBondContact O-CB 3.3Å; R104-A108 PolarHBondContact O-N 2.94Å; A105-A108 PolarHBondContact O-N 3.48Å; A108-Q111 PolarHBondContact O-N 2.97Å; A108-R112 WeakPolarHBondContact O-CG 3.36Å; A108-R112 PolarHBondContact O-N 3.22Å |
| 109 | E | 93.3 | Very high | 93.8 | Very high | 121 Ų | 121 | 118.3 Ų | 118.3 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.5 | -42.9 | 175.6 | -169.9 | 178.3 | -173.9 | 0 | 0 | 111.6 | A105 E106 R107 Q111 R112 I113 | A105-E109 WeakPolarHBondContact O-CB 3.19Å; A105-E109 PolarHBondContact O-N 2.87Å; E106-E109 PolarHBondContact O-N 3Å; R107-E109 VanDerWaalsContact C-N 3.31Å; R107-E109 PolarHBondContact O-N 3.44Å; E109-Q111 PolarHBondContact O-N 2.9Å; E109-R112 PolarHBondContact O-N 3.42Å; E109-I113 HydrophobicContact CG-CD1 4.03Å; E109-I113 WeakPolarHBondContact O-CG1 3.16Å; E109-I113 PolarHBondContact O-N 3.12Å |
| 110 | Q | 94.4 | Very high | 93.5 | Very high | 101 Ų | 101 | 115.7 Ų | 115.7 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 174.7 | -75.2 | 177.8 | 17.5 | 0 | 0 | 112.2 | E106 R107 I113 R114 | E106-Q110 WeakPolarHBondContact O-CB 3.38Å; E106-Q110 VanDerWaalsContact O-CG 3.29Å; E106-Q110 WeakPolarHBondContact O-CG 3.2Å; E106-Q110 PolarHBondContact O-N 3.13Å; R107-Q110 PolarHBondContact O-N 2.92Å; Q110-I113 PolarHBondContact O-N 3.08Å; Q110-R114 WeakPolarHBondContact O-CG 3.26Å; Q110-R114 PolarHBondContact O-N 3.21Å |
| 111 | Q | 91.3 | Very high | 93.2 | Very high | 133 Ų | 133 | 120.7 Ų | 120.7 | 62% | 0.621 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.2 | -43.5 | 175.1 | -76.1 | 179.2 | -20 | 0 | 0 | 111.5 | R107 A108 E109 I113 R114 A115 | R107-Q111 PolarHBondContact O-N 3.41Å; A108-Q111 PolarHBondContact O-N 2.97Å; E109-Q111 PolarHBondContact O-N 2.9Å; Q111-I113 PolarHBondContact O-N 3.07Å; Q111-R114 PolarHBondContact O-N 3.37Å; Q111-A115 WeakPolarHBondContact O-CB 3.3Å; Q111-A115 PolarHBondContact O-N 3.46Å |
| 112 | R | 91.6 | Very high | 92.7 | Very high | 197 Ų | 197 | 119.2 Ų | 119.2 | 74% | 0.743 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.8 | -44.1 | 175.6 | -74.5 | -172.5 | 69.1 | 163.6 | 2 | 112.5 | A108 E109 R114 A115 E116 | A108-R112 WeakPolarHBondContact O-CG 3.36Å; A108-R112 PolarHBondContact O-N 3.22Å; E109-R112 PolarHBondContact O-N 3.42Å; R112-R114 VanDerWaalsContact C-N 3.34Å; R112-A115 PolarHBondContact O-N 3.5Å; R112-E116 VanDerWaalsContact O-CB 3.32Å; R112-E116 WeakPolarHBondContact O-CB 3.17Å; R112-E116 PolarHBondContact O-N 3.17Å |
| 113 | I | 93.1 | Very high | 92.1 | Very high | 67 Ų | 67 | 117.1 Ų | 117.1 | 34% | 0.344 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 177.7 | -68.3 | 167.9 | 0 | 0 | 0 | 110.8 | E109 Q110 Q111 K117 | E109-I113 HydrophobicContact CG-CD1 4.03Å; E109-I113 WeakPolarHBondContact O-CG1 3.16Å; E109-I113 PolarHBondContact O-N 3.12Å; Q110-I113 PolarHBondContact O-N 3.08Å; Q111-I113 PolarHBondContact O-N 3.07Å; I113-K117 HydrophobicContact CG2-CD 4.1Å; I113-K117 HydrophobicContact CG2-CG 4.5Å; I113-K117 WeakPolarHBondContact O-CB 3.27Å; I113-K117 VanDerWaalsContact O-CG 3.32Å; I113-K117 WeakPolarHBondContact O-CG 3.26Å; I113-K117 PolarHBondContact O-N 3.03Å |
| 114 | R | 93 | Very high | 91.7 | Very high | 167 Ų | 167 | 118.9 Ų | 118.9 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.4 | -47.9 | 175.1 | -74.3 | 179 | -170.2 | 161 | 5 | 111.2 | Q110 Q111 R112 E116 K117 E118 | Q110-R114 WeakPolarHBondContact O-CG 3.26Å; Q110-R114 PolarHBondContact O-N 3.21Å; Q111-R114 PolarHBondContact O-N 3.37Å; R112-R114 VanDerWaalsContact C-N 3.34Å; R114-E116 VanDerWaalsContact C-N 3.34Å; R114-E116 PolarHBondContact O-N 3.23Å; R114-K117 PolarHBondContact O-N 3.22Å; R114-E118 PolarHBondContact O-N 3.1Å |
| 115 | A | 92.6 | Very high | 91.1 | Very high | 62 Ų | 62 | 115.9 Ų | 115.9 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q111 R112 E118 R119 | Q111-A115 WeakPolarHBondContact O-CB 3.3Å; Q111-A115 PolarHBondContact O-N 3.46Å; R112-A115 PolarHBondContact O-N 3.5Å; A115-E118 PolarHBondContact O-N 3.37Å; A115-R119 VanDerWaalsContact O-CB 3.31Å; A115-R119 WeakPolarHBondContact O-CB 3.13Å; A115-R119 PolarHBondContact O-N 3.14Å |
| 116 | E | 91.6 | Very high | 90.7 | Very high | 137 Ų | 137 | 116 Ų | 116 | 64% | 0.64 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.5 | -44.2 | 176.7 | -175 | 172.4 | -162.3 | 0 | 0 | 112 | R112 R114 E118 R119 E120 | R112-E116 VanDerWaalsContact O-CB 3.32Å; R112-E116 WeakPolarHBondContact O-CB 3.17Å; R112-E116 PolarHBondContact O-N 3.17Å; R114-E116 VanDerWaalsContact C-N 3.34Å; R114-E116 PolarHBondContact O-N 3.23Å; E116-E118 PolarHBondContact O-N 3.18Å; E116-R119 PolarHBondContact O-N 3.41Å; E116-E120 WeakPolarHBondContact O-CB 3.24Å; E116-E120 PolarHBondContact O-N 3.39Å |
| 117 | K | 93.8 | Very high | 90 | Very high | 127 Ų | 127 | 118.8 Ų | 118.8 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63 | -39.8 | 175.6 | -77.8 | 177.8 | -179.7 | 175.6 | 0 | 112.4 | I113 R114 E120 R121 | I113-K117 HydrophobicContact CG2-CD 4.1Å; I113-K117 HydrophobicContact CG2-CG 4.5Å; I113-K117 WeakPolarHBondContact O-CB 3.27Å; I113-K117 VanDerWaalsContact O-CG 3.32Å; I113-K117 WeakPolarHBondContact O-CG 3.26Å; I113-K117 PolarHBondContact O-N 3.03Å; R114-K117 PolarHBondContact O-N 3.22Å; K117-E120 PolarHBondContact O-N 2.95Å; K117-R121 WeakPolarHBondContact O-CG 3.29Å; K117-R121 PolarHBondContact O-N 3.16Å |
| 118 | E | 90 | Very high | 89.2 | Confident | 88 Ų | 88 | 117.9 Ų | 117.9 | 41% | 0.411 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 176.4 | -173.5 | 51.5 | -142.4 | 0 | 0 | 110.8 | R114 A115 E116 E120 R121 Q122 | R114-E118 PolarHBondContact O-N 3.1Å; A115-E118 PolarHBondContact O-N 3.37Å; E116-E118 PolarHBondContact O-N 3.18Å; E118-E120 VanDerWaalsContact C-N 3.3Å; E118-E120 PolarHBondContact O-N 3.17Å; E118-R121 WeakPolarHBondContact O-CB 3.44Å; E118-R121 PolarHBondContact O-N 3.35Å; E118-R121 VanDerWaalsContact O-N 3.17Å; E118-Q122 WeakPolarHBondContact O-CG 3.27Å; E118-Q122 PolarHBondContact O-N 3.06Å; E118-Q122 PolarHBondContact OE1-NE2 3.45Å |
| 119 | R | 89.4 | Confident | 88.7 | Confident | 181 Ų | 181 | 122.1 Ų | 122.1 | 68% | 0.683 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59.8 | -39.4 | 173.4 | -171.1 | 179.8 | 179.1 | -170.2 | -0.7 | 112.4 | A115 E116 N123 | A115-R119 VanDerWaalsContact O-CB 3.31Å; A115-R119 WeakPolarHBondContact O-CB 3.13Å; A115-R119 PolarHBondContact O-N 3.14Å; E116-R119 PolarHBondContact O-N 3.41Å; R119-N123 WeakPolarHBondContact O-CB 3.37Å; R119-N123 PolarHBondContact O-N 3.29Å; R119-N123 PolarHBondContact O-ND2 3.41Å |
| 120 | E | 90.6 | Very high | 88.1 | Confident | 102 Ų | 102 | 118.8 Ų | 118.8 | 48% | 0.477 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.1 | -41.2 | 176.1 | -162.6 | -158.6 | 148.1 | 0 | 0 | 111.7 | E116 K117 E118 N123 R124 | E116-E120 WeakPolarHBondContact O-CB 3.24Å; E116-E120 PolarHBondContact O-N 3.39Å; K117-E120 PolarHBondContact O-N 2.95Å; E118-E120 VanDerWaalsContact C-N 3.3Å; E118-E120 PolarHBondContact O-N 3.17Å; E120-N123 PolarHBondContact O-N 3.04Å; E120-R124 WeakPolarHBondContact O-CB 3.34Å; E120-R124 PolarHBondContact O-N 3.12Å; E120-R124 IonicContact OE1-CZ 2.95Å; E120-R124 IonicContact OE1-NH2 3.72Å; E120-R124 PolarHBondContact OE1-NH2 3.16Å |
| 121 | R | 89.6 | Confident | 87.3 | Confident | 169 Ų | 169 | 121.2 Ų | 121.2 | 64% | 0.638 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.2 | -47.8 | 175.1 | -75.1 | 176.8 | 175.5 | -166.6 | -1.1 | 111.8 | K117 E118 N123 R124 L125 | K117-R121 WeakPolarHBondContact O-CG 3.29Å; K117-R121 PolarHBondContact O-N 3.16Å; E118-R121 WeakPolarHBondContact O-CB 3.44Å; E118-R121 PolarHBondContact O-N 3.35Å; E118-R121 VanDerWaalsContact O-N 3.17Å; R121-N123 VanDerWaalsContact C-N 3.31Å; R121-N123 PolarHBondContact O-N 2.78Å; R121-R124 PolarHBondContact O-N 3.37Å; R121-L125 WeakPolarHBondContact O-CG 3.35Å; R121-L125 PolarHBondContact O-N 2.85Å |
| 122 | Q | 85.1 | Confident | 86.8 | Confident | 105 Ų | 105 | 123.5 Ų | 123.5 | 49% | 0.491 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.4 | -43.4 | 176 | -67.5 | -62.7 | -25.6 | 0 | 0 | 111.4 | E118 L125 A126 | E118-Q122 WeakPolarHBondContact O-CG 3.27Å; E118-Q122 PolarHBondContact O-N 3.06Å; E118-Q122 PolarHBondContact OE1-NE2 3.45Å; Q122-L125 PolarHBondContact O-N 3.08Å; Q122-A126 WeakPolarHBondContact O-CB 3.13Å; Q122-A126 PolarHBondContact O-N 2.81Å |
| 123 | N | 84.9 | Confident | 86.1 | Confident | 90 Ų | 90 | 119.5 Ų | 119.5 | 48% | 0.481 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 176.4 | -72.3 | -15.8 | 0 | 0 | 0 | 112.3 | R119 E120 R121 A126 E127 | R119-N123 WeakPolarHBondContact O-CB 3.37Å; R119-N123 PolarHBondContact O-N 3.29Å; R119-N123 PolarHBondContact O-ND2 3.41Å; E120-N123 PolarHBondContact O-N 3.04Å; R121-N123 VanDerWaalsContact C-N 3.31Å; R121-N123 PolarHBondContact O-N 2.78Å; N123-A126 PolarHBondContact O-N 3.41Å; N123-E127 VanDerWaalsContact O-CB 3.32Å; N123-E127 WeakPolarHBondContact O-CB 3.47Å; N123-E127 PolarHBondContact O-N 3.3Å |
| 124 | R | 86.4 | Confident | 85.1 | Confident | 155 Ų | 155 | 123 Ų | 123 | 59% | 0.585 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.6 | -40.7 | 178.1 | -169.3 | -178 | -62.4 | -175.5 | 1.8 | 112 | E120 R121 E127 E128 | E120-R124 WeakPolarHBondContact O-CB 3.34Å; E120-R124 PolarHBondContact O-N 3.12Å; E120-R124 IonicContact OE1-CZ 2.95Å; E120-R124 IonicContact OE1-NH2 3.72Å; E120-R124 PolarHBondContact OE1-NH2 3.16Å; R121-R124 PolarHBondContact O-N 3.37Å; R124-E127 PolarHBondContact O-N 2.82Å; R124-E128 WeakPolarHBondContact O-CB 3.28Å; R124-E128 PolarHBondContact O-N 2.84Å |
| 125 | L | 84.2 | Confident | 84.3 | Confident | 103 Ų | 103 | 120.1 Ų | 120.1 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66 | -40.6 | 174.2 | -69.4 | 172 | 0 | 0 | 0 | 111.5 | R121 Q122 K129 | R121-L125 WeakPolarHBondContact O-CG 3.35Å; R121-L125 PolarHBondContact O-N 2.85Å; Q122-L125 PolarHBondContact O-N 3.08Å; L125-K129 WeakPolarHBondContact O-CB 3.35Å; L125-K129 PolarHBondContact O-N 2.8Å |
| 126 | A | 83.2 | Confident | 83.5 | Confident | 59 Ų | 59 | 120.2 Ų | 120.2 | 49% | 0.488 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q122 N123 A130 | Q122-A126 WeakPolarHBondContact O-CB 3.13Å; Q122-A126 PolarHBondContact O-N 2.81Å; N123-A126 PolarHBondContact O-N 3.41Å; A126-A130 WeakPolarHBondContact O-CB 3.34Å; A126-A130 PolarHBondContact O-N 2.84Å |
| 127 | E | 81.7 | Confident | 82.9 | Confident | 142 Ų | 142 | 116.2 Ų | 116.2 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.6 | -41.8 | 177.6 | -171.4 | 177.5 | -177.8 | 0 | 0 | 112 | N123 R124 K129 A130 R131 | N123-E127 VanDerWaalsContact O-CB 3.32Å; N123-E127 WeakPolarHBondContact O-CB 3.47Å; N123-E127 PolarHBondContact O-N 3.3Å; R124-E127 PolarHBondContact O-N 2.82Å; E127-K129 VanDerWaalsContact C-N 3.34Å; E127-K129 PolarHBondContact O-N 3.3Å; E127-A130 PolarHBondContact O-N 2.79Å; E127-R131 WeakPolarHBondContact O-CB 3.4Å; E127-R131 PolarHBondContact O-N 3.32Å |
| 128 | E | 80.3 | Confident | 82.2 | Confident | 123 Ų | 123 | 116.5 Ų | 116.5 | 58% | 0.575 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.5 | -42.1 | 174.2 | -171.5 | -174.5 | 166.2 | 0 | 0 | 111.2 | R124 R131 R132 | R124-E128 WeakPolarHBondContact O-CB 3.28Å; R124-E128 PolarHBondContact O-N 2.84Å; E128-R131 PolarHBondContact O-N 2.89Å; E128-R132 WeakPolarHBondContact O-CB 3.44Å; E128-R132 PolarHBondContact O-N 3.44Å |
| 129 | K | 82.5 | Confident | 81.7 | Confident | 136 Ų | 136 | 119.9 Ų | 119.9 | 59% | 0.591 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 173.8 | -174.1 | 176.7 | 178.5 | -178.2 | 0 | 111.4 | L125 E127 R132 E133 | L125-K129 WeakPolarHBondContact O-CB 3.35Å; L125-K129 PolarHBondContact O-N 2.8Å; E127-K129 VanDerWaalsContact C-N 3.34Å; E127-K129 PolarHBondContact O-N 3.3Å; K129-R132 PolarHBondContact O-N 3.33Å; K129-E133 VanDerWaalsContact CE-OE1 3.26Å; K129-E133 WeakPolarHBondContact CE-OE1 3.32Å; K129-E133 WeakPolarHBondContact O-CB 3.4Å; K129-E133 VanDerWaalsContact O-CG 3.3Å; K129-E133 WeakPolarHBondContact O-CG 3.42Å; K129-E133 PolarHBondContact O-N 2.87Å |
| 130 | A | 80.6 | Confident | 81.3 | Confident | 51 Ų | 51 | 119.1 Ų | 119.1 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | A126 E127 E133 E134 | A126-A130 WeakPolarHBondContact O-CB 3.34Å; A126-A130 PolarHBondContact O-N 2.84Å; E127-A130 PolarHBondContact O-N 2.79Å; A130-E133 PolarHBondContact O-N 3.46Å; A130-E134 WeakPolarHBondContact O-CB 3.32Å; A130-E134 PolarHBondContact O-N 2.76Å |
| 131 | R | 77.8 | Confident | 80.7 | Confident | 152 Ų | 152 | 116.8 Ų | 116.8 | 57% | 0.574 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.6 | -40.1 | 176.2 | -157.3 | -170.2 | 94.1 | -151.9 | 0.1 | 111.6 | E127 E128 E134 E135 | E127-R131 WeakPolarHBondContact O-CB 3.4Å; E127-R131 PolarHBondContact O-N 3.32Å; E128-R131 PolarHBondContact O-N 2.89Å; R131-E134 PolarHBondContact O-N 2.86Å; R131-E135 IonicContact CZ-OE1 2.79Å; R131-E135 IonicContact NE-OE1 3.76Å; R131-E135 PolarHBondContact NE-OE1 3.23Å; R131-E135 IonicContact NH2-OE1 3.87Å; R131-E135 PolarHBondContact NH2-OE1 2.85Å; R131-E135 WeakPolarHBondContact O-CB 3.22Å; R131-E135 WeakPolarHBondContact O-CG 3.3Å; R131-E135 PolarHBondContact O-N 3.38Å |
| 132 | R | 79.9 | Confident | 80.2 | Confident | 180 Ų | 180 | 114.1 Ų | 114.1 | 68% | 0.679 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66 | -40.8 | 174.5 | -171.1 | 174.1 | -176.7 | 170.9 | 2 | 111.9 | E128 K129 E134 D136 | E128-R132 WeakPolarHBondContact O-CB 3.44Å; E128-R132 PolarHBondContact O-N 3.44Å; K129-R132 PolarHBondContact O-N 3.33Å; R132-E134 VanDerWaalsContact C-N 3.35Å; R132-D136 WeakPolarHBondContact O-CB 3.4Å; R132-D136 PolarHBondContact O-N 3.35Å |
| 133 | E | 77.8 | Confident | 79.9 | Confident | 114 Ų | 114 | 113.2 Ų | 113.2 | 53% | 0.533 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.2 | -36 | 174.2 | -74.7 | 177.9 | -167.7 | 0 | 0 | 111.9 | K129 A130 A137 | K129-E133 VanDerWaalsContact CE-OE1 3.26Å; K129-E133 WeakPolarHBondContact CE-OE1 3.32Å; K129-E133 WeakPolarHBondContact O-CB 3.4Å; K129-E133 VanDerWaalsContact O-CG 3.3Å; K129-E133 WeakPolarHBondContact O-CG 3.42Å; K129-E133 PolarHBondContact O-N 2.87Å; A130-E133 PolarHBondContact O-N 3.46Å; E133-A137 WeakPolarHBondContact O-CB 3.37Å; E133-A137 PolarHBondContact O-N 2.82Å |
| 134 | E | 71.3 | Confident | 79.4 | Confident | 140 Ų | 140 | 113.1 Ų | 113.1 | 65% | 0.654 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.7 | -42.8 | 175.3 | -169.4 | 178.7 | -174.9 | 0 | 0 | 112 | A130 R131 R132 A137 K138 | A130-E134 WeakPolarHBondContact O-CB 3.32Å; A130-E134 PolarHBondContact O-N 2.76Å; R131-E134 PolarHBondContact O-N 2.86Å; R132-E134 VanDerWaalsContact C-N 3.35Å; E134-A137 PolarHBondContact O-N 2.84Å; E134-K138 VanDerWaalsContact O-CB 3.29Å; E134-K138 WeakPolarHBondContact O-CB 3.33Å; E134-K138 PolarHBondContact O-N 3.38Å |
| 135 | E | 77.3 | Confident | 78.8 | Confident | 107 Ų | 107 | 112 Ų | 112 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 174.4 | -74.2 | 175.2 | -156 | 0 | 0 | 111.6 | R131 K138 R139 | R131-E135 IonicContact CZ-OE1 2.79Å; R131-E135 IonicContact NE-OE1 3.76Å; R131-E135 PolarHBondContact NE-OE1 3.23Å; R131-E135 IonicContact NH2-OE1 3.87Å; R131-E135 PolarHBondContact NH2-OE1 2.85Å; R131-E135 WeakPolarHBondContact O-CB 3.22Å; R131-E135 WeakPolarHBondContact O-CG 3.3Å; R131-E135 PolarHBondContact O-N 3.38Å; E135-K138 PolarHBondContact O-N 2.87Å; E135-R139 WeakPolarHBondContact O-CB 3.4Å; E135-R139 PolarHBondContact O-N 3.45Å |
| 136 | D | 76.4 | Confident | 78.4 | Confident | 63 Ų | 63 | 114.5 Ų | 114.5 | 34% | 0.337 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.7 | -35.5 | 175 | -86.5 | -19.6 | 0 | 0 | 0 | 112.3 | R132 R140 | R132-D136 WeakPolarHBondContact O-CB 3.4Å; R132-D136 PolarHBondContact O-N 3.35Å; D136-R140 WeakPolarHBondContact O-CB 3.47Å; D136-R140 VanDerWaalsContact O-CG 3.28Å; D136-R140 WeakPolarHBondContact O-CG 3.32Å; D136-R140 PolarHBondContact O-N 2.88Å |
| 137 | A | 78.1 | Confident | 77.9 | Confident | 53 Ų | 53 | 118 Ų | 118 | 44% | 0.438 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.7 | -40.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E133 E134 R140 A141 | E133-A137 WeakPolarHBondContact O-CB 3.37Å; E133-A137 PolarHBondContact O-N 2.82Å; E134-A137 PolarHBondContact O-N 2.84Å; A137-R140 PolarHBondContact O-N 3.43Å; A137-A141 VanDerWaalsContact O-CB 3.3Å; A137-A141 WeakPolarHBondContact O-CB 3.38Å; A137-A141 PolarHBondContact O-N 2.91Å |
| 138 | K | 78.7 | Confident | 77.3 | Confident | 133 Ų | 133 | 114.5 Ų | 114.5 | 58% | 0.578 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.6 | -44.4 | 175.5 | -171.7 | 178 | 177.7 | -175.4 | 0 | 111.3 | E134 E135 A141 E142 | E134-K138 VanDerWaalsContact O-CB 3.29Å; E134-K138 WeakPolarHBondContact O-CB 3.33Å; E134-K138 PolarHBondContact O-N 3.38Å; E135-K138 PolarHBondContact O-N 2.87Å; K138-A141 PolarHBondContact O-N 2.84Å; K138-E142 WeakPolarHBondContact CE-OE1 3.26Å; K138-E142 WeakPolarHBondContact O-CB 3.19Å; K138-E142 WeakPolarHBondContact O-CG 3.36Å; K138-E142 PolarHBondContact O-N 3.32Å |
| 139 | R | 79.6 | Confident | 76.8 | Confident | 159 Ų | 159 | 116.8 Ų | 116.8 | 60% | 0.6 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.3 | -44 | 174.4 | -176.8 | -178.9 | 165 | -169.1 | -0.4 | 112.1 | E135 A141 E142 D143 | E135-R139 WeakPolarHBondContact O-CB 3.4Å; E135-R139 PolarHBondContact O-N 3.45Å; R139-A141 VanDerWaalsContact C-N 3.32Å; R139-A141 PolarHBondContact O-N 3.37Å; R139-E142 PolarHBondContact O-N 3.31Å; R139-D143 WeakPolarHBondContact O-CB 3.41Å; R139-D143 PolarHBondContact O-N 3.27Å |
| 140 | R | 80.6 | Confident | 76.1 | Confident | 166 Ų | 166 | 113.5 Ų | 113.5 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.1 | -39.6 | 174 | -76.5 | -173.5 | -172.5 | 113.7 | 1.3 | 111.9 | D136 A137 D144 | D136-R140 WeakPolarHBondContact O-CB 3.47Å; D136-R140 VanDerWaalsContact O-CG 3.28Å; D136-R140 WeakPolarHBondContact O-CG 3.32Å; D136-R140 PolarHBondContact O-N 2.88Å; A137-R140 PolarHBondContact O-N 3.43Å; R140-D144 VanDerWaalsContact O-CB 3.27Å; R140-D144 WeakPolarHBondContact O-CB 3.31Å; R140-D144 PolarHBondContact O-N 2.82Å |
| 141 | A | 79.6 | Confident | 75.1 | Confident | 52 Ų | 52 | 112.9 Ų | 112.9 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A137 K138 R139 M145 | A137-A141 VanDerWaalsContact O-CB 3.3Å; A137-A141 WeakPolarHBondContact O-CB 3.38Å; A137-A141 PolarHBondContact O-N 2.91Å; K138-A141 PolarHBondContact O-N 2.84Å; R139-A141 VanDerWaalsContact C-N 3.32Å; R139-A141 PolarHBondContact O-N 3.37Å; A141-M145 VanDerWaalsContact O-CB 3.24Å; A141-M145 WeakPolarHBondContact O-CB 3.49Å; A141-M145 WeakPolarHBondContact O-CG 3.35Å; A141-M145 PolarHBondContact O-N 2.96Å |
| 142 | E | 79 | Confident | 74.3 | Confident | 113 Ų | 113 | 108.9 Ų | 108.9 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 175.4 | -75.1 | 177.1 | -166.2 | 0 | 0 | 112 | K138 R139 M145 K146 | K138-E142 WeakPolarHBondContact CE-OE1 3.26Å; K138-E142 WeakPolarHBondContact O-CB 3.19Å; K138-E142 WeakPolarHBondContact O-CG 3.36Å; K138-E142 PolarHBondContact O-N 3.32Å; R139-E142 PolarHBondContact O-N 3.31Å; E142-M145 PolarHBondContact O-N 2.81Å; E142-K146 VanDerWaalsContact O-CB 3.27Å; E142-K146 WeakPolarHBondContact O-CB 3.39Å; E142-K146 PolarHBondContact O-N 2.81Å |
| 143 | D | 78.7 | Confident | 73.4 | Confident | 87 Ų | 87 | 105.5 Ų | 105.5 | 47% | 0.465 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 174.2 | -79.2 | -24.5 | 0 | 0 | 0 | 111.3 | R139 K146 K147 | R139-D143 WeakPolarHBondContact O-CB 3.41Å; R139-D143 PolarHBondContact O-N 3.27Å; D143-K146 PolarHBondContact O-N 3.32Å; D143-K147 WeakPolarHBondContact O-CB 3.31Å; D143-K147 PolarHBondContact O-N 3.35Å |
| 144 | D | 73.6 | Confident | 72.5 | Confident | 87 Ų | 87 | 108.1 Ų | 108.1 | 47% | 0.465 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.1 | -36.2 | 173.9 | -88.7 | -12.8 | 0 | 0 | 0 | 112.2 | R140 K148 | R140-D144 VanDerWaalsContact O-CB 3.27Å; R140-D144 WeakPolarHBondContact O-CB 3.31Å; R140-D144 PolarHBondContact O-N 2.82Å; D144-K148 WeakPolarHBondContact O-CB 3.48Å; D144-K148 WeakPolarHBondContact O-CG 3.32Å; D144-K148 PolarHBondContact O-N 3.5Å |
| 145 | M | 73.8 | Confident | 71.9 | Confident | 131 Ų | 131 | 103 Ų | 103 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.8 | -40.6 | 174.1 | -80.3 | -71.4 | -82.1 | 0 | 0 | 111.5 | A141 E142 K148 K149 | A141-M145 VanDerWaalsContact O-CB 3.24Å; A141-M145 WeakPolarHBondContact O-CB 3.49Å; A141-M145 WeakPolarHBondContact O-CG 3.35Å; A141-M145 PolarHBondContact O-N 2.96Å; E142-M145 PolarHBondContact O-N 2.81Å; M145-K148 PolarHBondContact O-N 3.42Å; M145-K149 VanDerWaalsContact O-CB 3.26Å; M145-K149 WeakPolarHBondContact O-CB 3.32Å; M145-K149 PolarHBondContact O-N 3.38Å |
| 146 | K | 76.8 | Confident | 71.1 | Confident | 156 Ų | 156 | 102 Ų | 102 | 68% | 0.678 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.7 | -39.6 | 175.8 | -165.9 | 173.7 | -175.8 | 178.3 | 0 | 111.1 | E142 D143 K149 A150 | E142-K146 VanDerWaalsContact O-CB 3.27Å; E142-K146 WeakPolarHBondContact O-CB 3.39Å; E142-K146 PolarHBondContact O-N 2.81Å; D143-K146 PolarHBondContact O-N 3.32Å; K146-K149 PolarHBondContact O-N 2.93Å; K146-A150 WeakPolarHBondContact O-CB 3.38Å; K146-A150 PolarHBondContact O-N 2.86Å |
| 147 | K | 72.3 | Confident | 70.4 | Confident | 133 Ų | 133 | 106.1 Ų | 106.1 | 58% | 0.578 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66 | -45.1 | 172.9 | -168.7 | 177.9 | -177.7 | 177.1 | 0 | 111.4 | D143 K149 A150 L151 | D143-K147 WeakPolarHBondContact O-CB 3.31Å; D143-K147 PolarHBondContact O-N 3.35Å; K147-K149 VanDerWaalsContact C-N 3.33Å; K147-K149 PolarHBondContact O-N 2.79Å; K147-A150 PolarHBondContact O-N 3.48Å; K147-L151 HydrophobicContact CG-CD1 3.81Å; K147-L151 HydrophobicContact CG-CG 4.5Å; K147-L151 VanDerWaalsContact O-CB 3.26Å; K147-L151 WeakPolarHBondContact O-CB 3.23Å; K147-L151 WeakPolarHBondContact O-CD1 3.42Å; K147-L151 WeakPolarHBondContact O-CG 3.37Å; K147-L151 PolarHBondContact O-N 2.84Å |
| 148 | K | 68.7 | Low | 69.5 | Low | 68 Ų | 68 | 109.7 Ų | 109.7 | 30% | 0.296 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.7 | -41 | 172 | -79.4 | 171.9 | -180 | 172.7 | 0 | 111.1 | D144 M145 L151 S152 D166 | D144-K148 WeakPolarHBondContact O-CB 3.48Å; D144-K148 WeakPolarHBondContact O-CG 3.32Å; D144-K148 PolarHBondContact O-N 3.5Å; M145-K148 PolarHBondContact O-N 3.42Å; K148-L151 PolarHBondContact O-N 2.94Å; K148-S152 WeakPolarHBondContact O-CB 3.38Å; K148-S152 PolarHBondContact O-N 2.89Å; K148-D166 IonicContact NZ-OD2 2.91Å; K148-D166 PolarHBondContact NZ-OD2 3.43Å |
| 149 | K | 70.4 | Confident | 68.6 | Low | 172 Ų | 172 | 105.4 Ų | 105.4 | 75% | 0.748 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | 177.1 | -167.6 | 173 | -176.7 | 178.2 | 0 | 112.2 | M145 K146 K147 S153 | M145-K149 VanDerWaalsContact O-CB 3.26Å; M145-K149 WeakPolarHBondContact O-CB 3.32Å; M145-K149 PolarHBondContact O-N 3.38Å; K146-K149 PolarHBondContact O-N 2.93Å; K147-K149 VanDerWaalsContact C-N 3.33Å; K147-K149 PolarHBondContact O-N 2.79Å; K149-S153 PolarHBondContact O-N 3.33Å |
| 150 | A | 66.8 | Low | 67.9 | Low | 66 Ų | 66 | 100.3 Ų | 100.3 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K146 K147 S153 | K146-A150 WeakPolarHBondContact O-CB 3.38Å; K146-A150 PolarHBondContact O-N 2.86Å; K147-A150 PolarHBondContact O-N 3.48Å; A150-S153 VanDerWaalsContact O-CB 3.3Å; A150-S153 WeakPolarHBondContact O-CB 3.37Å; A150-S153 PolarHBondContact O-N 3.36Å |
| 151 | L | 60.4 | Low | 67.3 | Low | 39 Ų | 39 | 100.2 Ų | 100.2 | 20% | 0.204 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -75.4 | -28.2 | 178.6 | -71.4 | 165.9 | 0 | 0 | 0 | 113.4 | K147 K148 S153 M154 Y158 L162 | K147-L151 HydrophobicContact CG-CD1 3.81Å; K147-L151 HydrophobicContact CG-CG 4.5Å; K147-L151 VanDerWaalsContact O-CB 3.26Å; K147-L151 WeakPolarHBondContact O-CB 3.23Å; K147-L151 WeakPolarHBondContact O-CD1 3.42Å; K147-L151 WeakPolarHBondContact O-CG 3.37Å; K147-L151 PolarHBondContact O-N 2.84Å; K148-L151 PolarHBondContact O-N 2.94Å; L151-S153 PolarHBondContact O-N 2.86Å; L151-M154 PolarHBondContact O-N 3.42Å; L151-M154 VanDerWaalsContact O-N 3.08Å; L151-Y158 HydrophobicContact CB-CD1 4.05Å; L151-Y158 HydrophobicContact CB-CE1 4.39Å; L151-Y158 HydrophobicContact CD1-CD1 4.07Å; L151-Y158 HydrophobicContact CD1-CE1 3.58Å; L151-Y158 HydrophobicContact CD2-CD1 3.81Å; L151-Y158 HydrophobicContact CD2-CE1 3.62Å; L151-Y158 HydrophobicContact CG-CD1 4.19Å; L151-Y158 HydrophobicContact CG-CE1 4.05Å; L151-L162 HydrophobicContact CD1-CD1 3.81Å |
| 152 | S | 61.3 | Low | 66.6 | Low | 68 Ų | 68 | 100.3 Ų | 100.3 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.6 | -18.5 | 172.6 | -158.7 | 0 | 0 | 0 | 0 | 112 | K148 | K148-S152 WeakPolarHBondContact O-CB 3.38Å; K148-S152 PolarHBondContact O-N 2.89Å |
| 153 | S | 59.9 | Low | 66.1 | Low | 109 Ų | 109 | 97.3 Ų | 97.3 | 76% | 0.762 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -16.9 | 169.5 | -171.4 | 0 | 0 | 0 | 0 | 113.3 | K149 A150 L151 | K149-S153 PolarHBondContact O-N 3.33Å; A150-S153 VanDerWaalsContact O-CB 3.3Å; A150-S153 WeakPolarHBondContact O-CB 3.37Å; A150-S153 PolarHBondContact O-N 3.36Å; L151-S153 PolarHBondContact O-N 2.86Å |
| 154 | M | 59.3 | Low | 65.6 | Low | 168 Ų | 168 | 99.9 Ų | 99.9 | 83% | 0.828 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -103.8 | 6.7 | -171.2 | -159.2 | 161.1 | 160.3 | 0 | 0 | 113.8 | L151 | L151-M154 PolarHBondContact O-N 3.42Å; L151-M154 VanDerWaalsContact O-N 3.08Å |
| 155 | G | 58.2 | Low | 65.1 | Low | 32 Ų | 32 | 98 Ų | 98 | 33% | 0.33 | 53% | 0.53 | S | S | . | . | trans | 136.8 | 135 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N157 Y158 | G155-N157 PolarHBondContact O-N 2.97Å; G155-Y158 PolarHBondContact O-N 3.22Å | ||
| 156 | A | 60.4 | Low | 64.6 | Low | 87 Ų | 87 | 96.2 Ų | 96.2 | 72% | 0.719 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.3 | -17.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 157 | N | 62.1 | Low | 64.1 | Low | 150 Ų | 150 | 94.7 Ų | 94.7 | 80% | 0.802 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -84.5 | -27.6 | -177.8 | -69.6 | -28.5 | 0 | 0 | 0 | 114.1 | G155 | G155-N157 PolarHBondContact O-N 2.97Å |
| 158 | Y | 59.4 | Low | 63.6 | Low | 128 Ų | 128 | 94.7 Ų | 94.7 | 50% | 0.502 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -83.1 | -35.8 | -178.7 | -165.9 | -104.6 | 0 | 0 | 0 | 112.3 | L151 G155 S160 Y161 L162 | L151-Y158 HydrophobicContact CB-CD1 4.05Å; L151-Y158 HydrophobicContact CB-CE1 4.39Å; L151-Y158 HydrophobicContact CD1-CD1 4.07Å; L151-Y158 HydrophobicContact CD1-CE1 3.58Å; L151-Y158 HydrophobicContact CD2-CD1 3.81Å; L151-Y158 HydrophobicContact CD2-CE1 3.62Å; L151-Y158 HydrophobicContact CG-CD1 4.19Å; L151-Y158 HydrophobicContact CG-CE1 4.05Å; G155-Y158 PolarHBondContact O-N 3.22Å; Y158-S160 VanDerWaalsContact C-N 3.3Å; Y158-S160 PolarHBondContact O-N 3.45Å; Y158-Y161 PolarHBondContact O-N 2.88Å; Y158-Y161 VanDerWaalsContact O-N 3.14Å; Y158-L162 HydrophobicContact CD1-CD1 4.27Å; Y158-L162 HydrophobicContact CE1-CD1 3.88Å; Y158-L162 PolarHBondContact O-N 3.37Å |
| 159 | S | 60.7 | Low | 63.3 | Low | 43 Ų | 43 | 100.8 Ų | 100.8 | 30% | 0.301 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.1 | -37.4 | 174.9 | -172.7 | 0 | 0 | 0 | 0 | 112.6 | Y161 A163 | S159-Y161 PolarHBondContact O-N 2.85Å; S159-A163 PolarHBondContact O-N 2.93Å |
| 160 | S | 63.8 | Low | 62.8 | Low | 51 Ų | 51 | 94.4 Ų | 94.4 | 36% | 0.357 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.1 | -34.7 | 175 | -177 | 0 | 0 | 0 | 0 | 113.3 | Y158 K164 | Y158-S160 VanDerWaalsContact C-N 3.3Å; Y158-S160 PolarHBondContact O-N 3.45Å; S160-K164 WeakPolarHBondContact O-CB 3.17Å; S160-K164 VanDerWaalsContact O-CG 3.23Å; S160-K164 WeakPolarHBondContact O-CG 3.41Å; S160-K164 PolarHBondContact O-N 3.49Å |
| 161 | Y | 67.7 | Low | 62.7 | Low | 165 Ų | 165 | 97.9 Ų | 97.9 | 65% | 0.647 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.8 | -44.2 | -178.6 | -174.3 | -102 | 0 | 0 | 0 | 112.1 | Y158 S159 K164 A165 | Y158-Y161 PolarHBondContact O-N 2.88Å; Y158-Y161 VanDerWaalsContact O-N 3.14Å; S159-Y161 PolarHBondContact O-N 2.85Å; Y161-K164 PolarHBondContact O-N 3.01Å; Y161-A165 WeakPolarHBondContact O-CB 3.41Å; Y161-A165 PolarHBondContact O-N 3.39Å |
| 162 | L | 64.9 | Low | 62.8 | Low | 54 Ų | 54 | 102.3 Ų | 102.3 | 28% | 0.283 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 175.9 | -77 | 168.2 | 0 | 0 | 0 | 111.9 | L151 Y158 K164 A165 D166 | L151-L162 HydrophobicContact CD1-CD1 3.81Å; Y158-L162 HydrophobicContact CD1-CD1 4.27Å; Y158-L162 HydrophobicContact CE1-CD1 3.88Å; Y158-L162 PolarHBondContact O-N 3.37Å; L162-K164 PolarHBondContact O-N 3.35Å; L162-A165 PolarHBondContact O-N 2.91Å; L162-D166 PolarHBondContact O-N 2.93Å |
| 163 | A | 68.1 | Low | 62.9 | Low | 50 Ų | 50 | 104.2 Ų | 104.2 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S159 Q167 | S159-A163 PolarHBondContact O-N 2.93Å; A163-Q167 WeakPolarHBondContact O-CB 3.4Å; A163-Q167 WeakPolarHBondContact O-CG 3.43Å; A163-Q167 PolarHBondContact O-N 3.17Å; A163-Q167 VanDerWaalsContact O-N 3.07Å |
| 164 | K | 68 | Low | 63.7 | Low | 141 Ų | 141 | 103.1 Ų | 103.1 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.4 | -35.8 | 175.4 | -76.6 | 175.4 | -177.9 | 176.7 | 0 | 112.6 | S160 Y161 L162 K168 | S160-K164 WeakPolarHBondContact O-CB 3.17Å; S160-K164 VanDerWaalsContact O-CG 3.23Å; S160-K164 WeakPolarHBondContact O-CG 3.41Å; S160-K164 PolarHBondContact O-N 3.49Å; Y161-K164 PolarHBondContact O-N 3.01Å; L162-K164 PolarHBondContact O-N 3.35Å; K164-K168 WeakPolarHBondContact O-CB 3.44Å; K164-K168 PolarHBondContact O-N 2.91Å; K164-K168 VanDerWaalsContact O-N 3.1Å |
| 165 | A | 64.5 | Low | 65.1 | Low | 48 Ų | 48 | 97.9 Ų | 97.9 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y161 L162 K168 R169 | Y161-A165 WeakPolarHBondContact O-CB 3.41Å; Y161-A165 PolarHBondContact O-N 3.39Å; L162-A165 PolarHBondContact O-N 2.91Å; A165-K168 PolarHBondContact O-N 2.95Å; A165-R169 PolarHBondContact O-N 3.42Å; A165-R169 VanDerWaalsContact O-N 3.1Å |
| 166 | D | 63.3 | Low | 66.3 | Low | 93 Ų | 93 | 106.1 Ų | 106.1 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -50.6 | 177.8 | -116.8 | -16.1 | 0 | 0 | 0 | 111.9 | K148 L162 K168 R169 G170 | K148-D166 IonicContact NZ-OD2 2.91Å; K148-D166 PolarHBondContact NZ-OD2 3.43Å; L162-D166 PolarHBondContact O-N 2.93Å; D166-K168 VanDerWaalsContact C-N 3.28Å; D166-K168 PolarHBondContact O-N 3.46Å; D166-R169 PolarHBondContact O-N 3.45Å; D166-G170 PolarHBondContact O-N 3.44Å |
| 167 | Q | 66.9 | Low | 67.6 | Low | 123 Ų | 123 | 107 Ų | 107 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.4 | -31.8 | -179.3 | -75.9 | -158.4 | -11.2 | 0 | 0 | 113.2 | A163 K171 | A163-Q167 WeakPolarHBondContact O-CB 3.4Å; A163-Q167 WeakPolarHBondContact O-CG 3.43Å; A163-Q167 PolarHBondContact O-N 3.17Å; A163-Q167 VanDerWaalsContact O-N 3.07Å; Q167-K171 WeakPolarHBondContact O-CB 3.29Å; Q167-K171 WeakPolarHBondContact O-CG 3.36Å; Q167-K171 PolarHBondContact O-N 2.82Å |
| 168 | K | 61.5 | Low | 69 | Low | 134 Ų | 134 | 105.8 Ų | 105.8 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -76.5 | -31.3 | 178.3 | -169.4 | 179.4 | 178.6 | -172.9 | 0 | 112.1 | K164 A165 D166 K172 | K164-K168 WeakPolarHBondContact O-CB 3.44Å; K164-K168 PolarHBondContact O-N 2.91Å; K164-K168 VanDerWaalsContact O-N 3.1Å; A165-K168 PolarHBondContact O-N 2.95Å; D166-K168 VanDerWaalsContact C-N 3.28Å; D166-K168 PolarHBondContact O-N 3.46Å; K168-K172 HydrophobicContact CG-CD 4.2Å; K168-K172 WeakPolarHBondContact O-CB 3.38Å; K168-K172 WeakPolarHBondContact O-CD 3.45Å; K168-K172 VanDerWaalsContact O-CG 3.23Å; K168-K172 WeakPolarHBondContact O-CG 3.33Å |
| 169 | R | 62 | Low | 70.6 | Confident | 196 Ų | 196 | 106.5 Ų | 106.5 | 74% | 0.74 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.5 | -51.3 | 173.3 | -102.6 | 174.7 | 82.5 | 156.2 | 0.4 | 111.2 | A165 D166 K172 Q173 | A165-R169 PolarHBondContact O-N 3.42Å; A165-R169 VanDerWaalsContact O-N 3.1Å; D166-R169 PolarHBondContact O-N 3.45Å; R169-K172 PolarHBondContact O-N 3.13Å; R169-Q173 WeakPolarHBondContact O-CB 3.5Å; R169-Q173 PolarHBondContact O-N 3.33Å |
| 170 | G | 60.2 | Low | 72.2 | Confident | 37 Ų | 37 | 112.2 Ų | 112.2 | 38% | 0.381 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.8 | -48.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | D166 K172 Q173 T174 | D166-G170 PolarHBondContact O-N 3.44Å; G170-K172 VanDerWaalsContact C-N 3.34Å; G170-K172 PolarHBondContact O-N 3.34Å; G170-Q173 PolarHBondContact O-N 3.11Å; G170-T174 PolarHBondContact O-N 3.45Å; G170-T174 PolarHBondContact O-OG1 2.88Å |
| 171 | K | 64.4 | Low | 73.6 | Confident | 139 Ų | 139 | 117.1 Ų | 117.1 | 60% | 0.604 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.9 | -30.6 | -178.4 | -67.5 | 177.8 | -178.9 | 176.5 | 0 | 113.6 | Q167 T174 A175 | Q167-K171 WeakPolarHBondContact O-CB 3.29Å; Q167-K171 WeakPolarHBondContact O-CG 3.36Å; Q167-K171 PolarHBondContact O-N 2.82Å; K171-T174 PolarHBondContact O-OG1 3.43Å; K171-A175 WeakPolarHBondContact O-CB 3.5Å; K171-A175 PolarHBondContact O-N 3.49Å |
| 172 | K | 62.1 | Low | 74.8 | Confident | 132 Ų | 132 | 112.1 Ų | 112.1 | 57% | 0.574 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -79.8 | -34.5 | 178.8 | -73.7 | -173.9 | 176.3 | -160.2 | 0 | 112.2 | K168 R169 G170 R176 | K168-K172 HydrophobicContact CG-CD 4.2Å; K168-K172 WeakPolarHBondContact O-CB 3.38Å; K168-K172 WeakPolarHBondContact O-CD 3.45Å; K168-K172 VanDerWaalsContact O-CG 3.23Å; K168-K172 WeakPolarHBondContact O-CG 3.33Å; R169-K172 PolarHBondContact O-N 3.13Å; G170-K172 VanDerWaalsContact C-N 3.34Å; G170-K172 PolarHBondContact O-N 3.34Å; K172-R176 VanDerWaalsContact O-CB 3.26Å; K172-R176 WeakPolarHBondContact O-CB 3.33Å; K172-R176 PolarHBondContact O-N 2.83Å |
| 173 | Q | 62.8 | Low | 76.2 | Confident | 108 Ų | 108 | 114 Ų | 114 | 51% | 0.505 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.1 | -48.8 | 176.2 | -176.2 | 165.9 | -2.1 | 0 | 0 | 110.7 | R169 G170 A175 R176 E177 | R169-Q173 WeakPolarHBondContact O-CB 3.5Å; R169-Q173 PolarHBondContact O-N 3.33Å; G170-Q173 PolarHBondContact O-N 3.11Å; Q173-A175 PolarHBondContact O-N 3.22Å; Q173-R176 PolarHBondContact O-N 3.3Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.5Å; Q173-E177 PolarHBondContact NE2-OE1 3.33Å; Q173-E177 VanDerWaalsContact NE2-OE1 3.17Å; Q173-E177 WeakPolarHBondContact O-CB 3.46Å; Q173-E177 WeakPolarHBondContact O-CG 3.36Å; Q173-E177 PolarHBondContact O-N 2.89Å |
| 174 | T | 77.8 | Confident | 77.4 | Confident | 87 Ų | 87 | 114.6 Ų | 114.6 | 53% | 0.534 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.6 | -41.2 | 177.6 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | G170 K171 R176 E177 M178 | G170-T174 PolarHBondContact O-N 3.45Å; G170-T174 PolarHBondContact O-OG1 2.88Å; K171-T174 PolarHBondContact O-OG1 3.43Å; T174-R176 PolarHBondContact O-N 2.91Å; T174-E177 PolarHBondContact O-N 3.47Å; T174-M178 VanDerWaalsContact O-CB 3.24Å; T174-M178 WeakPolarHBondContact O-CB 3.48Å; T174-M178 PolarHBondContact O-N 3.32Å |
| 175 | A | 87.3 | Confident | 78.6 | Confident | 57 Ų | 57 | 115.3 Ų | 115.3 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.1 | -36.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K171 Q173 K179 | K171-A175 WeakPolarHBondContact O-CB 3.5Å; K171-A175 PolarHBondContact O-N 3.49Å; Q173-A175 PolarHBondContact O-N 3.22Å; A175-K179 WeakPolarHBondContact O-CB 3.43Å; A175-K179 PolarHBondContact O-N 3.42Å |
| 176 | R | 85.1 | Confident | 80 | Confident | 205 Ų | 205 | 121.8 Ų | 121.8 | 77% | 0.774 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.4 | -44.4 | 177 | -174.8 | -179.2 | -175.7 | -170.3 | 1.3 | 111.1 | K172 Q173 T174 K179 K180 | K172-R176 VanDerWaalsContact O-CB 3.26Å; K172-R176 WeakPolarHBondContact O-CB 3.33Å; K172-R176 PolarHBondContact O-N 2.83Å; Q173-R176 PolarHBondContact O-N 3.3Å; T174-R176 PolarHBondContact O-N 2.91Å; R176-K179 PolarHBondContact O-N 2.96Å; R176-K180 WeakPolarHBondContact O-CB 3.31Å; R176-K180 PolarHBondContact O-N 2.91Å |
| 177 | E | 87.6 | Confident | 81.4 | Confident | 106 Ų | 106 | 127.3 Ų | 127.3 | 50% | 0.495 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.3 | -45 | 177 | -72.7 | 167.4 | -170.5 | 0 | 0 | 111 | Q173 T174 K179 K180 K181 | Q173-E177 WeakPolarHBondContact CG-OE1 3.5Å; Q173-E177 PolarHBondContact NE2-OE1 3.33Å; Q173-E177 VanDerWaalsContact NE2-OE1 3.17Å; Q173-E177 WeakPolarHBondContact O-CB 3.46Å; Q173-E177 WeakPolarHBondContact O-CG 3.36Å; Q173-E177 PolarHBondContact O-N 2.89Å; T174-E177 PolarHBondContact O-N 3.47Å; E177-K179 PolarHBondContact O-N 3.26Å; E177-K180 PolarHBondContact O-N 2.84Å; E177-K180 VanDerWaalsContact O-N 3.17Å; E177-K181 WeakPolarHBondContact O-CB 3.11Å; E177-K181 PolarHBondContact O-N 2.89Å |
| 178 | M | 90.4 | Very high | 82.4 | Confident | 125 Ų | 125 | 130.3 Ų | 130.3 | 62% | 0.616 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.2 | -44.1 | 175.5 | -169.1 | 178.5 | -167.9 | 0 | 0 | 111.7 | T174 K180 K181 I182 | T174-M178 VanDerWaalsContact O-CB 3.24Å; T174-M178 WeakPolarHBondContact O-CB 3.48Å; T174-M178 PolarHBondContact O-N 3.32Å; M178-K180 PolarHBondContact O-N 3.44Å; M178-K181 PolarHBondContact O-N 3.21Å; M178-I182 HydrophobicContact CE-CD1 4.44Å; M178-I182 HydrophobicContact CG-CD1 3.98Å; M178-I182 VanDerWaalsContact O-CG1 3.28Å; M178-I182 WeakPolarHBondContact O-CG1 3.29Å; M178-I182 PolarHBondContact O-N 2.88Å |
| 179 | K | 93.7 | Very high | 83.8 | Confident | 143 Ų | 143 | 129.9 Ų | 129.9 | 62% | 0.622 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.4 | -44.7 | 173.7 | -179.6 | 178.2 | 177.4 | -179.2 | 0 | 111.4 | A175 R176 E177 K181 I182 L183 | A175-K179 WeakPolarHBondContact O-CB 3.43Å; A175-K179 PolarHBondContact O-N 3.42Å; R176-K179 PolarHBondContact O-N 2.96Å; E177-K179 PolarHBondContact O-N 3.26Å; K179-K181 VanDerWaalsContact C-N 3.35Å; K179-I182 PolarHBondContact O-N 3.26Å; K179-L183 HydrophobicContact CG-CD1 3.98Å; K179-L183 HydrophobicContact CG-CG 4.4Å; K179-L183 WeakPolarHBondContact O-CB 3.22Å; K179-L183 VanDerWaalsContact O-CG 3.28Å; K179-L183 WeakPolarHBondContact O-CG 3.24Å; K179-L183 PolarHBondContact O-N 3.46Å |
| 180 | K | 93.8 | Very high | 85.2 | Confident | 162 Ų | 162 | 125.1 Ų | 125.1 | 70% | 0.704 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63 | -42.7 | 179 | -169.5 | 178.9 | 179.2 | -172.7 | 0 | 111 | R176 E177 M178 L183 A184 | R176-K180 WeakPolarHBondContact O-CB 3.31Å; R176-K180 PolarHBondContact O-N 2.91Å; E177-K180 PolarHBondContact O-N 2.84Å; E177-K180 VanDerWaalsContact O-N 3.17Å; M178-K180 PolarHBondContact O-N 3.44Å; K180-L183 PolarHBondContact O-N 3.38Å; K180-A184 WeakPolarHBondContact O-CB 3.41Å; K180-A184 PolarHBondContact O-N 2.93Å |
| 181 | K | 92.7 | Very high | 86.6 | Confident | 154 Ų | 154 | 128.2 Ų | 128.2 | 67% | 0.67 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60 | -51.6 | 175.9 | -176 | 178.5 | 178.2 | 179.7 | 0 | 111.6 | E177 M178 K179 L183 A184 E185 | E177-K181 WeakPolarHBondContact O-CB 3.11Å; E177-K181 PolarHBondContact O-N 2.89Å; M178-K181 PolarHBondContact O-N 3.21Å; K179-K181 VanDerWaalsContact C-N 3.35Å; K181-L183 VanDerWaalsContact C-N 3.32Å; K181-L183 PolarHBondContact O-N 3.44Å; K181-A184 PolarHBondContact O-N 3.41Å; K181-E185 PolarHBondContact O-N 2.98Å |
| 182 | I | 93.4 | Very high | 88 | Confident | 60 Ų | 60 | 124.5 Ų | 124.5 | 31% | 0.308 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.7 | -40.2 | 179.4 | -66.9 | 166.4 | 0 | 0 | 0 | 111.2 | M178 K179 E185 R186 | M178-I182 HydrophobicContact CE-CD1 4.44Å; M178-I182 HydrophobicContact CG-CD1 3.98Å; M178-I182 VanDerWaalsContact O-CG1 3.28Å; M178-I182 WeakPolarHBondContact O-CG1 3.29Å; M178-I182 PolarHBondContact O-N 2.88Å; K179-I182 PolarHBondContact O-N 3.26Å; I182-E185 PolarHBondContact O-N 2.94Å; I182-R186 VanDerWaalsContact O-CG 3.3Å; I182-R186 WeakPolarHBondContact O-CG 3.37Å; I182-R186 PolarHBondContact O-N 3.33Å; I182-R186 VanDerWaalsContact O-N 3.08Å |
| 183 | L | 94.7 | Very high | 89.4 | Confident | 93 Ų | 93 | 125.7 Ų | 125.7 | 49% | 0.487 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.2 | -36.8 | 177.3 | -72 | 175.8 | 0 | 0 | 0 | 112.4 | K179 K180 K181 R186 R187 | K179-L183 HydrophobicContact CG-CD1 3.98Å; K179-L183 HydrophobicContact CG-CG 4.4Å; K179-L183 WeakPolarHBondContact O-CB 3.22Å; K179-L183 VanDerWaalsContact O-CG 3.28Å; K179-L183 WeakPolarHBondContact O-CG 3.24Å; K179-L183 PolarHBondContact O-N 3.46Å; K180-L183 PolarHBondContact O-N 3.38Å; K181-L183 VanDerWaalsContact C-N 3.32Å; K181-L183 PolarHBondContact O-N 3.44Å; L183-R186 PolarHBondContact O-N 2.95Å; L183-R187 WeakPolarHBondContact O-CB 3.32Å; L183-R187 PolarHBondContact O-N 3.22Å; L183-R187 VanDerWaalsContact O-N 3.13Å |
| 184 | A | 93.4 | Very high | 90.8 | Very high | 64 Ų | 64 | 126.8 Ų | 126.8 | 53% | 0.529 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.4 | -43.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K180 K181 R186 R187 | K180-A184 WeakPolarHBondContact O-CB 3.41Å; K180-A184 PolarHBondContact O-N 2.93Å; K181-A184 PolarHBondContact O-N 3.41Å; A184-R186 VanDerWaalsContact C-N 3.32Å; A184-R186 PolarHBondContact O-N 2.95Å; A184-R187 PolarHBondContact O-N 3.04Å; A184-R187 VanDerWaalsContact O-N 3.12Å |
| 185 | E | 93.2 | Very high | 91.6 | Very high | 156 Ų | 156 | 124.8 Ų | 124.8 | 73% | 0.729 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.1 | -37.8 | 176.9 | -174.9 | 179.9 | 174.7 | 0 | 0 | 112.6 | K181 I182 R187 | K181-E185 PolarHBondContact O-N 2.98Å; I182-E185 PolarHBondContact O-N 2.94Å; E185-R187 VanDerWaalsContact C-N 3.31Å |
| 186 | R | 93.3 | Very high | 92 | Very high | 184 Ų | 184 | 125 Ų | 125 | 69% | 0.694 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -73.1 | -22.7 | 175.6 | -69.8 | 175.2 | -173.2 | -162.7 | 0.1 | 113.3 | I182 L183 A184 K188 | I182-R186 VanDerWaalsContact O-CG 3.3Å; I182-R186 WeakPolarHBondContact O-CG 3.37Å; I182-R186 PolarHBondContact O-N 3.33Å; I182-R186 VanDerWaalsContact O-N 3.08Å; L183-R186 PolarHBondContact O-N 2.95Å; A184-R186 VanDerWaalsContact C-N 3.32Å; A184-R186 PolarHBondContact O-N 2.95Å; R186-K188 PolarHBondContact O-N 2.87Å |
| 187 | R | 92.8 | Very high | 92.5 | Very high | 209 Ų | 209 | 121.1 Ų | 121.1 | 79% | 0.789 | 59% | 0.59 | S | S | * | * | trans | -80.8 | 102.3 | -177.9 | -174.5 | -178.9 | 179.7 | -159.1 | -0.8 | 109.2 | L183 A184 E185 | L183-R187 WeakPolarHBondContact O-CB 3.32Å; L183-R187 PolarHBondContact O-N 3.22Å; L183-R187 VanDerWaalsContact O-N 3.13Å; A184-R187 PolarHBondContact O-N 3.04Å; A184-R187 VanDerWaalsContact O-N 3.12Å; E185-R187 VanDerWaalsContact C-N 3.31Å | ||
| 188 | K | 89.3 | Confident | 92.8 | Very high | 186 Ų | 186 | 121.6 Ų | 121.6 | 81% | 0.809 | 60% | 0.596 | S | S | * | * | trans | -73.4 | 128.1 | 170.5 | -61.9 | 179.9 | -176.8 | 177.5 | 0 | 109.1 | R186 L190 | R186-K188 PolarHBondContact O-N 2.87Å; K188-L190 PolarHBondContact O-N 3.32Å | ||
| 189 | P | 90.9 | Very high | 93.1 | Very high | 125 Ų | 125 | 121.8 Ų | 121.8 | 81% | 0.812 | 59% | 0.594 | S | S | * | * | trans | -61.9 | 138.1 | 173.5 | 26.8 | -32.7 | 0 | 0 | 0 | 109.1 | ||||
| 190 | L | 91.1 | Very high | 93.2 | Very high | 96 Ų | 96 | 117.9 Ų | 117.9 | 50% | 0.503 | 58% | 0.579 | S | S | . | * | trans | -96.2 | 113.8 | -179.3 | -173.3 | 65.1 | 0 | 0 | 0 | 107.9 | K188 I192 K203 L207 | K188-L190 PolarHBondContact O-N 3.32Å; L190-I192 HydrophobicContact CD1-CG2 3.66Å; L190-I192 HydrophobicContact CD2-CD1 4.14Å; L190-I192 HydrophobicContact CD2-CG2 4.28Å; L190-I192 HydrophobicContact CG-CD1 4.49Å; L190-I192 HydrophobicContact CG-CG1 4.35Å; L190-I192 HydrophobicContact CG-CG2 3.72Å; L190-K203 HydrophobicContact CD1-CG 4.36Å; L190-L207 HydrophobicContact CD1-CD1 4.07Å; L190-L207 HydrophobicContact CD2-CD1 4.26Å | ||
| 191 | N | 89.8 | Confident | 93.3 | Very high | 102 Ų | 102 | 118.7 Ų | 118.7 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | trans | -113.5 | 105.9 | 173.8 | -173.6 | 5.3 | 0 | 0 | 0 | 108.2 | H194 | N191-H194 PolarHBondContact ND2-CE1 3.42Å; N191-H194 PolarHBondContact OD1-CE1 3.07Å; N191-H194 PolarHBondContact OD1-ND1 3.01Å; N191-H194 VanDerWaalsContact OD1-ND1 3.16Å | ||
| 192 | I | 92.8 | Very high | 93.5 | Very high | 61 Ų | 61 | 116.2 Ų | 116.2 | 31% | 0.313 | 57% | 0.572 | S | S | . | * | trans | -127.3 | -8.7 | -171.9 | 53.5 | 167.8 | 0 | 0 | 0 | 113.6 | L190 H194 L195 L200 K203 | L190-I192 HydrophobicContact CD1-CG2 3.66Å; L190-I192 HydrophobicContact CD2-CD1 4.14Å; L190-I192 HydrophobicContact CD2-CG2 4.28Å; L190-I192 HydrophobicContact CG-CD1 4.49Å; L190-I192 HydrophobicContact CG-CG1 4.35Å; L190-I192 HydrophobicContact CG-CG2 3.72Å; I192-H194 PolarHBondContact O-N 3.49Å; I192-H194 VanDerWaalsContact O-N 3.08Å; I192-L195 PolarHBondContact O-N 3.12Å; I192-L195 VanDerWaalsContact O-N 3.17Å; I192-L200 HydrophobicContact CB-CD2 3.91Å; I192-L200 HydrophobicContact CG2-CD2 4.24Å; I192-K203 HydrophobicContact CG2-CG 4.38Å | ||
| 193 | D | 92.6 | Very high | 93.6 | Very high | 156 Ų | 156 | 116.7 Ų | 116.7 | 83% | 0.834 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -16.4 | -167.4 | -57.7 | -24.3 | 0 | 0 | 0 | 114.1 | ||
| 194 | H | 92.1 | Very high | 93.6 | Very high | 131 Ų | 131 | 115 Ų | 115 | 61% | 0.606 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | 14.7 | -176.9 | 61.3 | -68.5 | 0 | 0 | 0 | 112.3 | N191 I192 | N191-H194 PolarHBondContact ND2-CE1 3.42Å; N191-H194 PolarHBondContact OD1-CE1 3.07Å; N191-H194 PolarHBondContact OD1-ND1 3.01Å; N191-H194 VanDerWaalsContact OD1-ND1 3.16Å; I192-H194 PolarHBondContact O-N 3.49Å; I192-H194 VanDerWaalsContact O-N 3.08Å |
| 195 | L | 94.2 | Very high | 93.8 | Very high | 45 Ų | 45 | 118.5 Ų | 118.5 | 24% | 0.236 | 58% | 0.575 | C | S | . | * | trans | -92.1 | 145.9 | 178.3 | -87.6 | 63.7 | 0 | 0 | 0 | 111.5 | I192 K199 L200 | I192-L195 PolarHBondContact O-N 3.12Å; I192-L195 VanDerWaalsContact O-N 3.17Å; L195-K199 HydrophobicContact CB-CB 4.26Å; L195-K199 HydrophobicContact CD2-CB 4.12Å; L195-K199 HydrophobicContact CG-CB 4.17Å; L195-L200 HydrophobicContact CB-CD2 3.76Å; L195-L200 HydrophobicContact CB-CG 3.94Å; L195-L200 HydrophobicContact CD2-CD2 4.33Å | ||
| 196 | S | 95.6 | Very high | 93.9 | Very high | 63 Ų | 63 | 115.9 Ų | 115.9 | 44% | 0.441 | 56% | 0.562 | S | S | . | * | trans | -77.9 | 159.6 | 172 | 61.8 | 0 | 0 | 0 | 0 | 112 | D198 K199 L200 | S196-D198 VanDerWaalsContact C-N 3.31Å; S196-D198 PolarHBondContact O-N 3.28Å; S196-K199 WeakPolarHBondContact O-CA 3.4Å; S196-K199 WeakPolarHBondContact O-CB 3.38Å; S196-K199 PolarHBondContact O-N 3.14Å; S196-L200 PolarHBondContact O-N 2.95Å | ||
| 197 | D | 94.7 | Very high | 94.1 | Very high | 122 Ų | 122 | 111 Ų | 111 | 65% | 0.652 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -50.1 | -45 | -177.5 | -76.5 | 5.5 | 0 | 0 | 0 | 114.1 | K199 L200 R201 | D197-K199 PolarHBondContact O-N 3.14Å; D197-L200 PolarHBondContact O-N 3.34Å; D197-R201 WeakPolarHBondContact O-CG 3.27Å; D197-R201 PolarHBondContact O-N 3.47Å |
| 198 | D | 95.4 | Very high | 94.3 | Very high | 116 Ų | 116 | 108.3 Ų | 108.3 | 62% | 0.62 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.8 | -41.4 | 178.7 | -66.1 | -29.4 | 0 | 0 | 0 | 111.7 | S196 L200 R201 D202 | S196-D198 VanDerWaalsContact C-N 3.31Å; S196-D198 PolarHBondContact O-N 3.28Å; D198-L200 VanDerWaalsContact C-N 3.34Å; D198-L200 PolarHBondContact O-N 3.1Å; D198-R201 WeakPolarHBondContact O-CB 3.16Å; D198-R201 PolarHBondContact O-N 3.39Å; D198-D202 PolarHBondContact O-N 3.1Å; D198-D202 VanDerWaalsContact O-N 3.16Å |
| 199 | K | 95.1 | Very high | 94.7 | Very high | 130 Ų | 130 | 103 Ų | 103 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.4 | -32.2 | 177 | -67.6 | -179.5 | -179.6 | 176.8 | 0 | 112.1 | L195 S196 D197 D202 K203 | L195-K199 HydrophobicContact CB-CB 4.26Å; L195-K199 HydrophobicContact CD2-CB 4.12Å; L195-K199 HydrophobicContact CG-CB 4.17Å; S196-K199 WeakPolarHBondContact O-CA 3.4Å; S196-K199 WeakPolarHBondContact O-CB 3.38Å; S196-K199 PolarHBondContact O-N 3.14Å; D197-K199 PolarHBondContact O-N 3.14Å; K199-D202 PolarHBondContact O-N 3.08Å; K199-K203 WeakPolarHBondContact O-CB 3.36Å; K199-K203 PolarHBondContact O-N 2.76Å |
| 200 | L | 95.8 | Very high | 94.9 | Very high | 60 Ų | 60 | 101 Ų | 101 | 31% | 0.314 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 174.1 | -70.1 | 173.1 | 0 | 0 | 0 | 111.4 | I192 L195 S196 D197 D198 K203 A204 | I192-L200 HydrophobicContact CB-CD2 3.91Å; I192-L200 HydrophobicContact CG2-CD2 4.24Å; L195-L200 HydrophobicContact CB-CD2 3.76Å; L195-L200 HydrophobicContact CB-CG 3.94Å; L195-L200 HydrophobicContact CD2-CD2 4.33Å; S196-L200 PolarHBondContact O-N 2.95Å; D197-L200 PolarHBondContact O-N 3.34Å; D198-L200 VanDerWaalsContact C-N 3.34Å; D198-L200 PolarHBondContact O-N 3.1Å; L200-K203 PolarHBondContact O-N 2.97Å; L200-A204 WeakPolarHBondContact O-CB 3.45Å; L200-A204 PolarHBondContact O-N 3.43Å |
| 201 | R | 96.7 | Very high | 95.2 | Very high | 179 Ų | 179 | 100.8 Ų | 100.8 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.1 | -44.9 | 174.5 | -69.9 | 171.2 | -176.4 | -91.4 | -1 | 111.7 | D197 D198 A204 K205 | D197-R201 WeakPolarHBondContact O-CG 3.27Å; D197-R201 PolarHBondContact O-N 3.47Å; D198-R201 WeakPolarHBondContact O-CB 3.16Å; D198-R201 PolarHBondContact O-N 3.39Å; R201-A204 PolarHBondContact O-N 3.06Å; R201-K205 PolarHBondContact O-N 2.93Å; R201-K205 VanDerWaalsContact O-N 3.07Å |
| 202 | D | 96.3 | Very high | 95.6 | Very high | 102 Ų | 102 | 102.1 Ų | 102.1 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 175.7 | -70.3 | -23.4 | 0 | 0 | 0 | 111.1 | D198 K199 A204 K205 E206 | D198-D202 PolarHBondContact O-N 3.1Å; D198-D202 VanDerWaalsContact O-N 3.16Å; K199-D202 PolarHBondContact O-N 3.08Å; D202-A204 VanDerWaalsContact C-N 3.34Å; D202-A204 PolarHBondContact O-N 2.98Å; D202-K205 WeakPolarHBondContact O-CB 3.48Å; D202-K205 PolarHBondContact O-N 3.44Å; D202-K205 VanDerWaalsContact O-N 3.15Å; D202-E206 PolarHBondContact O-N 3.44Å |
| 203 | K | 95.4 | Very high | 95.8 | Very high | 70 Ų | 70 | 104 Ų | 104 | 30% | 0.304 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 177.9 | -163.7 | 72.5 | -157.7 | 159.8 | 0 | 112.7 | L190 I192 K199 L200 K205 E206 L207 | L190-K203 HydrophobicContact CD1-CG 4.36Å; I192-K203 HydrophobicContact CG2-CG 4.38Å; K199-K203 WeakPolarHBondContact O-CB 3.36Å; K199-K203 PolarHBondContact O-N 2.76Å; L200-K203 PolarHBondContact O-N 2.97Å; K203-K205 VanDerWaalsContact C-N 3.32Å; K203-K205 PolarHBondContact O-N 3.3Å; K203-E206 IonicContact NZ-OE2 3.43Å; K203-E206 PolarHBondContact NZ-OE2 3.02Å; K203-E206 PolarHBondContact O-N 3.19Å; K203-L207 VanDerWaalsContact O-CG 3.32Å; K203-L207 WeakPolarHBondContact O-CG 3.22Å; K203-L207 PolarHBondContact O-N 2.86Å |
| 204 | A | 96.4 | Very high | 96 | Very high | 58 Ų | 58 | 101.4 Ų | 101.4 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L200 R201 D202 L207 W208 | L200-A204 WeakPolarHBondContact O-CB 3.45Å; L200-A204 PolarHBondContact O-N 3.43Å; R201-A204 PolarHBondContact O-N 3.06Å; D202-A204 VanDerWaalsContact C-N 3.34Å; D202-A204 PolarHBondContact O-N 2.98Å; A204-L207 PolarHBondContact O-N 3.44Å; A204-W208 WeakPolarHBondContact O-CB 3.47Å; A204-W208 PolarHBondContact O-N 3.04Å |
| 205 | K | 97.2 | Very high | 96.2 | Very high | 138 Ų | 138 | 100.7 Ų | 100.7 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64 | -46.2 | 176.3 | -167.4 | 177.3 | -179.9 | -177.2 | 0 | 111.9 | R201 D202 K203 L207 W208 D209 | R201-K205 PolarHBondContact O-N 2.93Å; R201-K205 VanDerWaalsContact O-N 3.07Å; D202-K205 WeakPolarHBondContact O-CB 3.48Å; D202-K205 PolarHBondContact O-N 3.44Å; D202-K205 VanDerWaalsContact O-N 3.15Å; K203-K205 VanDerWaalsContact C-N 3.32Å; K203-K205 PolarHBondContact O-N 3.3Å; K205-L207 VanDerWaalsContact C-N 3.34Å; K205-L207 PolarHBondContact O-N 2.92Å; K205-W208 WeakPolarHBondContact O-CB 3.45Å; K205-W208 PolarHBondContact O-N 2.9Å; K205-D209 PolarHBondContact O-N 3.43Å |
| 206 | E | 95.4 | Very high | 96.4 | Very high | 100 Ų | 100 | 100.4 Ų | 100.4 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 175.6 | -70.4 | 179.7 | 178 | 0 | 0 | 113 | D202 K203 W208 T210 | D202-E206 PolarHBondContact O-N 3.44Å; K203-E206 IonicContact NZ-OE2 3.43Å; K203-E206 PolarHBondContact NZ-OE2 3.02Å; K203-E206 PolarHBondContact O-N 3.19Å; E206-W208 VanDerWaalsContact C-N 3.34Å; E206-T210 WeakPolarHBondContact O-CB 3.31Å; E206-T210 PolarHBondContact O-N 3.48Å; E206-T210 PolarHBondContact O-OG1 3.38Å |
| 207 | L | 95.9 | Very high | 96.5 | Very high | 83 Ų | 83 | 99.8 Ų | 99.8 | 44% | 0.435 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 177.6 | -71.7 | 174.7 | 0 | 0 | 0 | 111.3 | L190 K203 A204 K205 T210 L211 | L190-L207 HydrophobicContact CD1-CD1 4.07Å; L190-L207 HydrophobicContact CD2-CD1 4.26Å; K203-L207 VanDerWaalsContact O-CG 3.32Å; K203-L207 WeakPolarHBondContact O-CG 3.22Å; K203-L207 PolarHBondContact O-N 2.86Å; A204-L207 PolarHBondContact O-N 3.44Å; K205-L207 VanDerWaalsContact C-N 3.34Å; K205-L207 PolarHBondContact O-N 2.92Å; L207-T210 PolarHBondContact O-N 2.9Å; L207-L211 WeakPolarHBondContact O-CB 3.4Å; L207-L211 PolarHBondContact O-N 3.34Å |
| 208 | W | 97.5 | Very high | 96.7 | Very high | 151 Ų | 151 | 101.9 Ų | 101.9 | 57% | 0.572 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.4 | -46.7 | 175.7 | -176.9 | 87.8 | 0 | 0 | 0 | 111.8 | A204 K205 E206 T210 L211 Y212 | A204-W208 WeakPolarHBondContact O-CB 3.47Å; A204-W208 PolarHBondContact O-N 3.04Å; K205-W208 WeakPolarHBondContact O-CB 3.45Å; K205-W208 PolarHBondContact O-N 2.9Å; E206-W208 VanDerWaalsContact C-N 3.34Å; W208-T210 VanDerWaalsContact C-N 3.3Å; W208-T210 PolarHBondContact O-N 2.87Å; W208-L211 WeakPolarHBondContact O-CB 3.25Å; W208-L211 PolarHBondContact O-N 3.3Å; W208-L211 VanDerWaalsContact O-N 3.16Å; W208-Y212 WeakPolarHBondContact O-CB 3.23Å; W208-Y212 PolarHBondContact O-N 2.93Å |
| 209 | D | 97.5 | Very high | 96.8 | Very high | 75 Ų | 75 | 102.9 Ų | 102.9 | 40% | 0.401 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 176.2 | -70.9 | -31.3 | 0 | 0 | 0 | 111.1 | K205 Y212 Q213 | K205-D209 PolarHBondContact O-N 3.43Å; D209-Y212 PolarHBondContact O-N 3.39Å; D209-Q213 PolarHBondContact O-N 3.15Å |
| 210 | T | 96.1 | Very high | 96.9 | Very high | 82 Ų | 82 | 102.2 Ų | 102.2 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 176.1 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | E206 L207 W208 Q213 L214 | E206-T210 WeakPolarHBondContact O-CB 3.31Å; E206-T210 PolarHBondContact O-N 3.48Å; E206-T210 PolarHBondContact O-OG1 3.38Å; L207-T210 PolarHBondContact O-N 2.9Å; W208-T210 VanDerWaalsContact C-N 3.3Å; W208-T210 PolarHBondContact O-N 2.87Å; T210-Q213 PolarHBondContact O-N 3.34Å; T210-L214 HydrophobicContact CG2-CD1 4.44Å; T210-L214 WeakPolarHBondContact O-CG 3.41Å; T210-L214 PolarHBondContact O-N 3.19Å; T210-L214 VanDerWaalsContact O-N 3.11Å |
| 211 | L | 96.5 | Very high | 97.1 | Very high | 92 Ų | 92 | 105.9 Ų | 105.9 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 177.3 | 178.8 | 64.6 | 0 | 0 | 0 | 111 | L207 W208 Q213 L214 E215 | L207-L211 WeakPolarHBondContact O-CB 3.4Å; L207-L211 PolarHBondContact O-N 3.34Å; W208-L211 WeakPolarHBondContact O-CB 3.25Å; W208-L211 PolarHBondContact O-N 3.3Å; W208-L211 VanDerWaalsContact O-N 3.16Å; L211-Q213 VanDerWaalsContact C-N 3.31Å; L211-Q213 PolarHBondContact O-N 2.88Å; L211-L214 PolarHBondContact O-N 3.17Å; L211-L214 VanDerWaalsContact O-N 3.14Å; L211-E215 WeakPolarHBondContact O-CG 3.48Å; L211-E215 PolarHBondContact O-N 2.91Å |
| 212 | Y | 97.9 | Very high | 97.1 | Very high | 131 Ų | 131 | 98.8 Ų | 98.8 | 51% | 0.514 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 178.4 | -179.2 | -103.7 | 0 | 0 | 0 | 112.1 | W208 D209 E215 T216 | W208-Y212 WeakPolarHBondContact O-CB 3.23Å; W208-Y212 PolarHBondContact O-N 2.93Å; D209-Y212 PolarHBondContact O-N 3.39Å; Y212-E215 PolarHBondContact O-N 3.29Å; Y212-T216 WeakPolarHBondContact O-CB 3.41Å; Y212-T216 PolarHBondContact O-N 3.15Å; Y212-T216 PolarHBondContact O-OG1 2.96Å |
| 213 | Q | 97.2 | Very high | 97.2 | Very high | 101 Ų | 101 | 97.7 Ų | 97.7 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 174.4 | -173 | 61.7 | 42.9 | 0 | 0 | 111.8 | D209 T210 L211 E215 T216 D217 | D209-Q213 PolarHBondContact O-N 3.15Å; T210-Q213 PolarHBondContact O-N 3.34Å; L211-Q213 VanDerWaalsContact C-N 3.31Å; L211-Q213 PolarHBondContact O-N 2.88Å; Q213-E215 VanDerWaalsContact C-N 3.31Å; Q213-E215 PolarHBondContact O-N 2.97Å; Q213-T216 WeakPolarHBondContact O-CB 3.19Å; Q213-T216 PolarHBondContact O-N 3.19Å; Q213-D217 PolarHBondContact NE2-OD1 3.5Å; Q213-D217 PolarHBondContact O-N 2.98Å |
| 214 | L | 96.8 | Very high | 97.3 | Very high | 101 Ų | 101 | 100.2 Ų | 100.2 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -35.9 | 178.6 | -70.7 | 173 | 0 | 0 | 0 | 112.7 | T210 L211 K218 | T210-L214 HydrophobicContact CG2-CD1 4.44Å; T210-L214 WeakPolarHBondContact O-CG 3.41Å; T210-L214 PolarHBondContact O-N 3.19Å; T210-L214 VanDerWaalsContact O-N 3.11Å; L211-L214 PolarHBondContact O-N 3.17Å; L211-L214 VanDerWaalsContact O-N 3.14Å; L214-K218 WeakPolarHBondContact O-CB 3.42Å; L214-K218 PolarHBondContact O-N 3.49Å |
| 215 | E | 97.6 | Very high | 97.4 | Very high | 115 Ų | 115 | 101.6 Ų | 101.6 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 174.2 | -72.6 | -174.6 | 162.6 | 0 | 0 | 112 | L211 Y212 Q213 K218 F219 | L211-E215 WeakPolarHBondContact O-CG 3.48Å; L211-E215 PolarHBondContact O-N 2.91Å; Y212-E215 PolarHBondContact O-N 3.29Å; Q213-E215 VanDerWaalsContact C-N 3.31Å; Q213-E215 PolarHBondContact O-N 2.97Å; E215-K218 WeakPolarHBondContact O-CB 3.19Å; E215-K218 PolarHBondContact O-N 2.84Å; E215-F219 PolarHBondContact O-N 3.36Å |
| 216 | T | 97.9 | Very high | 97.4 | Very high | 40 Ų | 40 | 101.3 Ų | 101.3 | 25% | 0.245 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -60.8 | -51.6 | 175.3 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | Y212 Q213 K218 F219 E220 | Y212-T216 WeakPolarHBondContact O-CB 3.41Å; Y212-T216 PolarHBondContact O-N 3.15Å; Y212-T216 PolarHBondContact O-OG1 2.96Å; Q213-T216 WeakPolarHBondContact O-CB 3.19Å; Q213-T216 PolarHBondContact O-N 3.19Å; T216-K218 VanDerWaalsContact C-N 3.28Å; T216-K218 PolarHBondContact O-N 3.35Å; T216-F219 WeakPolarHBondContact O-CB 3.46Å; T216-F219 PolarHBondContact O-N 3.03Å; T216-E220 PolarHBondContact O-N 3.33Å |
| 217 | D | 97.6 | Very high | 97.5 | Very high | 50 Ų | 50 | 104 Ų | 104 | 27% | 0.267 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.9 | -42.7 | 177.4 | -69.8 | -2 | 0 | 0 | 0 | 111.4 | Q213 F219 E220 F221 | Q213-D217 PolarHBondContact NE2-OD1 3.5Å; Q213-D217 PolarHBondContact O-N 2.98Å; D217-F219 VanDerWaalsContact C-N 3.32Å; D217-F219 PolarHBondContact O-N 2.97Å; D217-E220 PolarHBondContact O-N 3.47Å; D217-F221 HydrophobicContact CB-CD2 4.43Å; D217-F221 HydrophobicContact CB-CE2 4.13Å; D217-F221 WeakPolarHBondContact O-CB 3.46Å; D217-F221 WeakPolarHBondContact O-CD2 3.45Å; D217-F221 WeakPolarHBondContact O-CG 3.26Å; D217-F221 PolarHBondContact O-N 3.17Å |
| 218 | K | 97.9 | Very high | 97.6 | Very high | 166 Ų | 166 | 104.5 Ų | 104.5 | 72% | 0.722 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.4 | -41.1 | 177.2 | 178.7 | -171.9 | 171.8 | -166.8 | 0 | 111.5 | L214 E215 T216 G222 | L214-K218 WeakPolarHBondContact O-CB 3.42Å; L214-K218 PolarHBondContact O-N 3.49Å; E215-K218 WeakPolarHBondContact O-CB 3.19Å; E215-K218 PolarHBondContact O-N 2.84Å; T216-K218 VanDerWaalsContact C-N 3.28Å; T216-K218 PolarHBondContact O-N 3.35Å; K218-G222 PolarHBondContact O-N 3.02Å |
| 219 | F | 97.9 | Very high | 97.6 | Very high | 136 Ų | 136 | 103.2 Ų | 103.2 | 60% | 0.596 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.2 | -49.6 | 176.3 | 177.6 | -95.3 | 0 | 0 | 0 | 111.1 | E215 T216 D217 F221 G222 E223 | E215-F219 PolarHBondContact O-N 3.36Å; T216-F219 WeakPolarHBondContact O-CB 3.46Å; T216-F219 PolarHBondContact O-N 3.03Å; D217-F219 VanDerWaalsContact C-N 3.32Å; D217-F219 PolarHBondContact O-N 2.97Å; F219-F221 PolarHBondContact O-N 3.09Å; F219-G222 WeakPolarHBondContact O-CA 3.35Å; F219-G222 PolarHBondContact O-N 2.89Å; F219-E223 HydrophobicContact CD1-CG 4.26Å; F219-E223 HydrophobicContact CE1-CG 3.72Å; F219-E223 HydrophobicContact CE2-CG 4.27Å; F219-E223 HydrophobicContact CZ-CG 3.72Å; F219-E223 PolarHBondContact O-N 2.99Å |
| 220 | E | 98.1 | Very high | 97.7 | Very high | 117 Ų | 117 | 106.6 Ų | 106.6 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 178.1 | -69.3 | -173.1 | 173.5 | 0 | 0 | 112.4 | T216 D217 G222 E223 K224 | T216-E220 PolarHBondContact O-N 3.33Å; D217-E220 PolarHBondContact O-N 3.47Å; E220-G222 VanDerWaalsContact C-N 3.26Å; E220-G222 PolarHBondContact O-N 3.45Å; E220-E223 PolarHBondContact O-N 3.22Å; E220-K224 VanDerWaalsContact O-CB 3.3Å; E220-K224 WeakPolarHBondContact O-CB 3.39Å; E220-K224 PolarHBondContact O-N 3.41Å |
| 221 | F | 98.2 | Very high | 97.7 | Very high | 136 Ų | 136 | 105.5 Ų | 105.5 | 60% | 0.596 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.5 | -35 | 174.1 | -70.3 | -46.2 | 0 | 0 | 0 | 112.2 | D217 F219 L225 | D217-F221 HydrophobicContact CB-CD2 4.43Å; D217-F221 HydrophobicContact CB-CE2 4.13Å; D217-F221 WeakPolarHBondContact O-CB 3.46Å; D217-F221 WeakPolarHBondContact O-CD2 3.45Å; D217-F221 WeakPolarHBondContact O-CG 3.26Å; D217-F221 PolarHBondContact O-N 3.17Å; F219-F221 PolarHBondContact O-N 3.09Å; F221-L225 VanDerWaalsContact O-CB 3.3Å; F221-L225 WeakPolarHBondContact O-CB 3.28Å; F221-L225 PolarHBondContact O-N 2.99Å |
| 222 | G | 97.8 | Very high | 97.8 | Very high | 30 Ų | 30 | 105 Ų | 105 | 31% | 0.309 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -49.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K218 F219 E220 L225 K226 | K218-G222 PolarHBondContact O-N 3.02Å; F219-G222 WeakPolarHBondContact O-CA 3.35Å; F219-G222 PolarHBondContact O-N 2.89Å; E220-G222 VanDerWaalsContact C-N 3.26Å; E220-G222 PolarHBondContact O-N 3.45Å; G222-L225 PolarHBondContact O-N 2.89Å; G222-K226 WeakPolarHBondContact O-CG 3.37Å; G222-K226 PolarHBondContact O-N 3.38Å |
| 223 | E | 98 | Very high | 97.8 | Very high | 80 Ų | 80 | 102.8 Ų | 102.8 | 37% | 0.374 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 177.7 | -68.6 | -55.1 | 103.6 | 0 | 0 | 111.7 | F219 E220 L225 K226 R227 | F219-E223 HydrophobicContact CD1-CG 4.26Å; F219-E223 HydrophobicContact CE1-CG 3.72Å; F219-E223 HydrophobicContact CE2-CG 4.27Å; F219-E223 HydrophobicContact CZ-CG 3.72Å; F219-E223 PolarHBondContact O-N 2.99Å; E220-E223 PolarHBondContact O-N 3.22Å; E223-L225 VanDerWaalsContact C-N 3.32Å; E223-L225 PolarHBondContact O-N 3.42Å; E223-K226 WeakPolarHBondContact O-CB 3.22Å; E223-K226 PolarHBondContact O-N 3.12Å; E223-K226 WeakPolarHBondContact OE1-CD 3.41Å; E223-K226 WeakPolarHBondContact OE1-CE 3.33Å; E223-K226 IonicContact OE1-NZ 3.62Å; E223-K226 PolarHBondContact OE1-NZ 3.16Å; E223-R227 PolarHBondContact O-N 3.03Å |
| 224 | K | 98.1 | Very high | 97.8 | Very high | 122 Ų | 122 | 99.7 Ų | 99.7 | 53% | 0.53 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.5 | -43.4 | 174.2 | -172.9 | 174.7 | -175.7 | 172.8 | 0 | 111.7 | E220 R227 Q228 | E220-K224 VanDerWaalsContact O-CB 3.3Å; E220-K224 WeakPolarHBondContact O-CB 3.39Å; E220-K224 PolarHBondContact O-N 3.41Å; K224-R227 PolarHBondContact O-N 3.48Å; K224-Q228 WeakPolarHBondContact O-CB 3.32Å; K224-Q228 VanDerWaalsContact O-CG 3.3Å; K224-Q228 WeakPolarHBondContact O-CG 3.42Å; K224-Q228 PolarHBondContact O-N 3.15Å |
| 225 | L | 97.8 | Very high | 97.8 | Very high | 87 Ų | 87 | 99.2 Ų | 99.2 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 177.3 | -178.5 | 64.7 | 0 | 0 | 0 | 111.8 | F221 G222 E223 Q228 K229 | F221-L225 VanDerWaalsContact O-CB 3.3Å; F221-L225 WeakPolarHBondContact O-CB 3.28Å; F221-L225 PolarHBondContact O-N 2.99Å; G222-L225 PolarHBondContact O-N 2.89Å; E223-L225 VanDerWaalsContact C-N 3.32Å; E223-L225 PolarHBondContact O-N 3.42Å; L225-Q228 PolarHBondContact O-N 3.38Å; L225-K229 WeakPolarHBondContact O-CG 3.48Å; L225-K229 PolarHBondContact O-N 3.5Å |
| 226 | K | 97.6 | Very high | 97.8 | Very high | 132 Ų | 132 | 101.5 Ų | 101.5 | 57% | 0.574 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.4 | -45.9 | 174.2 | -70.4 | 174.7 | -171.4 | 168.3 | 0 | 110.9 | G222 E223 K229 Y230 | G222-K226 WeakPolarHBondContact O-CG 3.37Å; G222-K226 PolarHBondContact O-N 3.38Å; E223-K226 WeakPolarHBondContact O-CB 3.22Å; E223-K226 PolarHBondContact O-N 3.12Å; E223-K226 WeakPolarHBondContact OE1-CD 3.41Å; E223-K226 WeakPolarHBondContact OE1-CE 3.33Å; E223-K226 IonicContact OE1-NZ 3.62Å; E223-K226 PolarHBondContact OE1-NZ 3.16Å; K226-K229 PolarHBondContact O-N 3.34Å; K226-Y230 PolarHBondContact O-N 3.45Å; K226-Y230 VanDerWaalsContact O-N 3.15Å |
| 227 | R | 97.9 | Very high | 97.6 | Very high | 158 Ų | 158 | 102.4 Ų | 102.4 | 60% | 0.596 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.5 | -47.6 | 177.2 | -178.7 | 57.9 | -176.6 | -141.5 | -1.6 | 112.1 | E223 K224 K229 Y230 D231 | E223-R227 PolarHBondContact O-N 3.03Å; K224-R227 PolarHBondContact O-N 3.48Å; R227-K229 VanDerWaalsContact C-N 3.29Å; R227-K229 PolarHBondContact O-N 2.88Å; R227-Y230 WeakPolarHBondContact O-CB 3.47Å; R227-Y230 PolarHBondContact O-N 2.96Å; R227-Y230 VanDerWaalsContact O-N 3.09Å; R227-D231 IonicContact CZ-OD1 2.67Å; R227-D231 IonicContact NE-OD1 2.82Å; R227-D231 PolarHBondContact NE-OD1 2.9Å; R227-D231 IonicContact NE-OD2 3.89Å; R227-D231 IonicContact NH2-OD1 2.71Å; R227-D231 PolarHBondContact O-N 2.92Å |
| 228 | Q | 98.1 | Very high | 97.5 | Very high | 92 Ų | 92 | 107.5 Ų | 107.5 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 177.4 | -74.2 | 176.9 | -23.2 | 0 | 0 | 112.3 | K224 L225 Y230 D231 I232 | K224-Q228 WeakPolarHBondContact O-CB 3.32Å; K224-Q228 VanDerWaalsContact O-CG 3.3Å; K224-Q228 WeakPolarHBondContact O-CG 3.42Å; K224-Q228 PolarHBondContact O-N 3.15Å; L225-Q228 PolarHBondContact O-N 3.38Å; Q228-Y230 VanDerWaalsContact C-N 3.35Å; Q228-Y230 PolarHBondContact O-N 2.96Å; Q228-D231 PolarHBondContact O-N 3.35Å; Q228-I232 WeakPolarHBondContact O-CB 3.45Å; Q228-I232 WeakPolarHBondContact O-CD1 3.43Å; Q228-I232 WeakPolarHBondContact O-CG1 3.46Å; Q228-I232 PolarHBondContact O-N 3.14Å |
| 229 | K | 98.1 | Very high | 97.3 | Very high | 124 Ų | 124 | 104.4 Ų | 104.4 | 54% | 0.539 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 174.6 | -76.3 | 175.7 | 178.1 | -178.5 | 0 | 112.3 | L225 K226 R227 T233 | L225-K229 WeakPolarHBondContact O-CG 3.48Å; L225-K229 PolarHBondContact O-N 3.5Å; K226-K229 PolarHBondContact O-N 3.34Å; R227-K229 VanDerWaalsContact C-N 3.29Å; R227-K229 PolarHBondContact O-N 2.88Å; K229-T233 WeakPolarHBondContact O-CB 3.41Å; K229-T233 PolarHBondContact O-N 3.44Å; K229-T233 PolarHBondContact O-OG1 3Å |
| 230 | Y | 98.1 | Very high | 97.1 | Very high | 147 Ų | 147 | 103.1 Ų | 103.1 | 58% | 0.576 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.5 | -46.8 | 174.5 | 175.3 | -95.3 | 0 | 0 | 0 | 111.5 | K226 R227 Q228 I232 T233 T234 | K226-Y230 PolarHBondContact O-N 3.45Å; K226-Y230 VanDerWaalsContact O-N 3.15Å; R227-Y230 WeakPolarHBondContact O-CB 3.47Å; R227-Y230 PolarHBondContact O-N 2.96Å; R227-Y230 VanDerWaalsContact O-N 3.09Å; Q228-Y230 VanDerWaalsContact C-N 3.35Å; Q228-Y230 PolarHBondContact O-N 2.96Å; Y230-I232 PolarHBondContact O-N 3.47Å; Y230-T233 PolarHBondContact O-N 3.41Å; Y230-T233 VanDerWaalsContact O-N 3.17Å; Y230-T234 PolarHBondContact O-N 3.48Å; Y230-T234 PolarHBondContact O-OG1 3.05Å |
| 231 | D | 97.6 | Very high | 96.8 | Very high | 59 Ų | 59 | 103.6 Ų | 103.6 | 32% | 0.316 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 179.6 | -65 | -24.5 | 0 | 0 | 0 | 110.9 | R227 Q228 T233 T234 L235 | R227-D231 IonicContact CZ-OD1 2.67Å; R227-D231 IonicContact NE-OD1 2.82Å; R227-D231 PolarHBondContact NE-OD1 2.9Å; R227-D231 IonicContact NE-OD2 3.89Å; R227-D231 IonicContact NH2-OD1 2.71Å; R227-D231 PolarHBondContact O-N 2.92Å; Q228-D231 PolarHBondContact O-N 3.35Å; D231-T233 VanDerWaalsContact C-N 3.31Å; D231-T233 PolarHBondContact O-N 2.93Å; D231-T234 PolarHBondContact O-N 3.25Å; D231-L235 WeakPolarHBondContact O-CB 3.18Å; D231-L235 WeakPolarHBondContact O-CG 3.2Å; D231-L235 PolarHBondContact O-N 2.94Å |
| 232 | I | 97.9 | Very high | 96.4 | Very high | 82 Ų | 82 | 101 Ų | 101 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 174.9 | -71.7 | 165.6 | 0 | 0 | 0 | 111.2 | Q228 Y230 L235 R236 | Q228-I232 WeakPolarHBondContact O-CB 3.45Å; Q228-I232 WeakPolarHBondContact O-CD1 3.43Å; Q228-I232 WeakPolarHBondContact O-CG1 3.46Å; Q228-I232 PolarHBondContact O-N 3.14Å; Y230-I232 PolarHBondContact O-N 3.47Å; I232-L235 PolarHBondContact O-N 3.37Å; I232-R236 VanDerWaalsContact O-CG 3.29Å; I232-R236 WeakPolarHBondContact O-CG 3.39Å; I232-R236 PolarHBondContact O-N 2.91Å |
| 233 | T | 97.5 | Very high | 95.8 | Very high | 83 Ų | 83 | 106.2 Ų | 106.2 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 179.9 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | K229 Y230 D231 R236 S237 | K229-T233 WeakPolarHBondContact O-CB 3.41Å; K229-T233 PolarHBondContact O-N 3.44Å; K229-T233 PolarHBondContact O-OG1 3Å; Y230-T233 PolarHBondContact O-N 3.41Å; Y230-T233 VanDerWaalsContact O-N 3.17Å; D231-T233 VanDerWaalsContact C-N 3.31Å; D231-T233 PolarHBondContact O-N 2.93Å; T233-R236 PolarHBondContact O-N 3.41Å; T233-S237 PolarHBondContact O-N 2.91Å; T233-S237 VanDerWaalsContact O-N 3.14Å; T233-S237 PolarHBondContact O-OG 2.83Å |
| 234 | T | 97.6 | Very high | 94.7 | Very high | 37 Ų | 37 | 109.9 Ų | 109.9 | 23% | 0.227 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -63.1 | -44 | 176.8 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | Y230 D231 S237 R238 | Y230-T234 PolarHBondContact O-N 3.48Å; Y230-T234 PolarHBondContact O-OG1 3.05Å; D231-T234 PolarHBondContact O-N 3.25Å; T234-S237 PolarHBondContact O-N 3.42Å; T234-R238 WeakPolarHBondContact O-CG 3.24Å; T234-R238 PolarHBondContact O-N 2.9Å |
| 235 | L | 97.1 | Very high | 93 | Very high | 91 Ų | 91 | 110.3 Ų | 110.3 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 178 | -73.7 | 171.1 | 0 | 0 | 0 | 111.8 | D231 I232 R238 I239 | D231-L235 WeakPolarHBondContact O-CB 3.18Å; D231-L235 WeakPolarHBondContact O-CG 3.2Å; D231-L235 PolarHBondContact O-N 2.94Å; I232-L235 PolarHBondContact O-N 3.37Å; L235-R238 PolarHBondContact O-N 2.95Å; L235-I239 VanDerWaalsContact O-CG1 3.29Å; L235-I239 WeakPolarHBondContact O-CG1 3.41Å; L235-I239 PolarHBondContact O-N 3.18Å |
| 236 | R | 96 | Very high | 91.1 | Very high | 163 Ų | 163 | 110.5 Ų | 110.5 | 62% | 0.615 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.6 | -48.2 | 173.2 | -75.3 | 171.8 | 178.6 | -178.1 | -1 | 111.3 | I232 T233 R238 I239 D240 | I232-R236 VanDerWaalsContact O-CG 3.29Å; I232-R236 WeakPolarHBondContact O-CG 3.39Å; I232-R236 PolarHBondContact O-N 2.91Å; T233-R236 PolarHBondContact O-N 3.41Å; R236-R238 VanDerWaalsContact C-N 3.31Å; R236-R238 PolarHBondContact O-N 3.47Å; R236-I239 WeakPolarHBondContact O-CB 3.32Å; R236-I239 PolarHBondContact O-N 3.24Å; R236-D240 PolarHBondContact O-N 2.85Å |
| 237 | S | 94.9 | Very high | 89.2 | Confident | 59 Ų | 59 | 113.1 Ų | 113.1 | 41% | 0.413 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 176.1 | -57.9 | 0 | 0 | 0 | 0 | 113.1 | T233 T234 D240 Q241 | T233-S237 PolarHBondContact O-N 2.91Å; T233-S237 VanDerWaalsContact O-N 3.14Å; T233-S237 PolarHBondContact O-OG 2.83Å; T234-S237 PolarHBondContact O-N 3.42Å; S237-D240 PolarHBondContact O-N 3.36Å; S237-Q241 VanDerWaalsContact O-CG 3.26Å; S237-Q241 WeakPolarHBondContact O-CG 3.43Å; S237-Q241 PolarHBondContact O-N 2.91Å |
| 238 | R | 95.3 | Very high | 87 | Confident | 157 Ų | 157 | 115 Ų | 115 | 59% | 0.592 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.7 | -40.4 | 174.9 | -72.7 | 176.9 | -178.3 | -177.6 | 1.5 | 112.2 | T234 L235 R236 Q241 A242 | T234-R238 WeakPolarHBondContact O-CG 3.24Å; T234-R238 PolarHBondContact O-N 2.9Å; L235-R238 PolarHBondContact O-N 2.95Å; R236-R238 VanDerWaalsContact C-N 3.31Å; R236-R238 PolarHBondContact O-N 3.47Å; R238-Q241 PolarHBondContact O-N 2.65Å; R238-A242 WeakPolarHBondContact O-CB 3.32Å; R238-A242 PolarHBondContact O-N 3.48Å |
| 239 | I | 94.8 | Very high | 84.8 | Confident | 100 Ų | 100 | 115 Ų | 115 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.4 | -48.4 | 174.1 | -70.6 | 165.1 | 0 | 0 | 0 | 109.4 | L235 R236 Q241 A242 Q243 | L235-I239 VanDerWaalsContact O-CG1 3.29Å; L235-I239 WeakPolarHBondContact O-CG1 3.41Å; L235-I239 PolarHBondContact O-N 3.18Å; R236-I239 WeakPolarHBondContact O-CB 3.32Å; R236-I239 PolarHBondContact O-N 3.24Å; I239-Q241 VanDerWaalsContact C-N 3.28Å; I239-Q241 PolarHBondContact O-N 3.01Å; I239-A242 CarbonylContact O-C 3.57Å; I239-A242 PolarHBondContact O-N 3.25Å; I239-A242 VanDerWaalsContact O-N 3.11Å; I239-Q243 HydrophobicContact CG2-CG 3.92Å; I239-Q243 VanDerWaalsContact O-CB 3.29Å; I239-Q243 WeakPolarHBondContact O-CB 3.31Å; I239-Q243 WeakPolarHBondContact O-CG 2.73Å; I239-Q243 PolarHBondContact O-N 3.09Å |
| 240 | D | 92.8 | Very high | 82.5 | Confident | 109 Ų | 109 | 112.8 Ų | 112.8 | 58% | 0.583 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.1 | -38.5 | 179 | -65.8 | -24.3 | 0 | 0 | 0 | 112.2 | R236 S237 Q243 K244 | R236-D240 PolarHBondContact O-N 2.85Å; S237-D240 PolarHBondContact O-N 3.36Å; D240-Q243 PolarHBondContact O-N 2.95Å; D240-K244 PolarHBondContact O-N 2.92Å |
| 241 | Q | 91.2 | Very high | 80.2 | Confident | 128 Ų | 128 | 110.7 Ų | 110.7 | 60% | 0.598 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.7 | -43 | 174.3 | -72.8 | 170.9 | 0.9 | 0 | 0 | 112.4 | S237 R238 I239 Q243 K244 | S237-Q241 VanDerWaalsContact O-CG 3.26Å; S237-Q241 WeakPolarHBondContact O-CG 3.43Å; S237-Q241 PolarHBondContact O-N 2.91Å; R238-Q241 PolarHBondContact O-N 2.65Å; I239-Q241 VanDerWaalsContact C-N 3.28Å; I239-Q241 PolarHBondContact O-N 3.01Å; Q241-Q243 VanDerWaalsContact C-N 3.33Å; Q241-K244 WeakPolarHBondContact O-CB 3.32Å; Q241-K244 PolarHBondContact O-N 3.26Å |
| 242 | A | 89.4 | Confident | 77.6 | Confident | 82 Ų | 82 | 114.1 Ų | 114.1 | 68% | 0.678 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.6 | -27.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R238 I239 K244 | R238-A242 WeakPolarHBondContact O-CB 3.32Å; R238-A242 PolarHBondContact O-N 3.48Å; I239-A242 CarbonylContact O-C 3.57Å; I239-A242 PolarHBondContact O-N 3.25Å; I239-A242 VanDerWaalsContact O-N 3.11Å; A242-K244 VanDerWaalsContact C-N 3.25Å; A242-K244 PolarHBondContact O-N 3.37Å |
| 243 | Q | 87 | Confident | 75.5 | Confident | 138 Ų | 138 | 115 Ų | 115 | 65% | 0.645 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -1.2 | 175.6 | -70.9 | -74 | -61.4 | 0 | 0 | 113 | I239 D240 Q241 H245 | I239-Q243 HydrophobicContact CG2-CG 3.92Å; I239-Q243 VanDerWaalsContact O-CB 3.29Å; I239-Q243 WeakPolarHBondContact O-CB 3.31Å; I239-Q243 WeakPolarHBondContact O-CG 2.73Å; I239-Q243 PolarHBondContact O-N 3.09Å; D240-Q243 PolarHBondContact O-N 2.95Å; Q241-Q243 VanDerWaalsContact C-N 3.33Å; Q243-H245 PolarHBondContact O-N 3.21Å; Q243-H245 PolarHBondContact O-ND1 3.04Å; Q243-H245 VanDerWaalsContact O-ND1 3.1Å |
| 244 | K | 74.1 | Confident | 73.3 | Confident | 157 Ų | 157 | 120.8 Ų | 120.8 | 68% | 0.683 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -64.5 | 82.9 | 164.2 | -68.6 | -177.2 | -178.5 | -179.7 | 0 | 108.3 | D240 Q241 A242 S246 | D240-K244 PolarHBondContact O-N 2.92Å; Q241-K244 WeakPolarHBondContact O-CB 3.32Å; Q241-K244 PolarHBondContact O-N 3.26Å; A242-K244 VanDerWaalsContact C-N 3.25Å; A242-K244 PolarHBondContact O-N 3.37Å; K244-S246 PolarHBondContact O-N 2.83Å; K244-S246 VanDerWaalsContact O-N 3.16Å |
| 245 | H | 61.4 | Low | 71 | Confident | 132 Ų | 132 | 122.3 Ų | 122.3 | 61% | 0.611 | 68% | 0.683 | S | S | * | * | trans | -37.4 | 119.1 | 168.6 | 32.6 | -85.4 | 0 | 0 | 0 | 109.2 | Q243 K247 | Q243-H245 PolarHBondContact O-N 3.21Å; Q243-H245 PolarHBondContact O-ND1 3.04Å; Q243-H245 VanDerWaalsContact O-ND1 3.1Å; H245-K247 PolarHBondContact O-N 3.21Å | ||
| 246 | S | 57.9 | Low | 68.7 | Low | 91 Ų | 91 | 127.8 Ų | 127.8 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | trans | -56.4 | 88.4 | 164.3 | 173.9 | 0 | 0 | 0 | 0 | 108.4 | K244 K248 | K244-S246 PolarHBondContact O-N 2.83Å; K244-S246 VanDerWaalsContact O-N 3.16Å; S246-K248 PolarHBondContact O-N 3.27Å; S246-K248 VanDerWaalsContact O-N 3.09Å; S246-K248 PolarHBondContact OG-N 2.95Å | ||
| 247 | K | 57.5 | Low | 66.7 | Low | 187 Ų | 187 | 127 Ų | 127 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -75.3 | 29.6 | 162.1 | -86.1 | 179.9 | -178 | -179.2 | 0 | 111 | H245 | H245-K247 PolarHBondContact O-N 3.21Š|
| 248 | K | 53.4 | Low | 64.3 | Low | 198 Ų | 198 | 127.4 Ų | 127.4 | 86% | 0.861 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -148.3 | 50.9 | 178.3 | -146.4 | 170.8 | -173.2 | 176.7 | 0 | 112.8 | S246 | S246-K248 PolarHBondContact O-N 3.27Å; S246-K248 VanDerWaalsContact O-N 3.09Å; S246-K248 PolarHBondContact OG-N 2.95Å |
| 249 | A | 51.5 | Low | 62.3 | Low | 92 Ų | 92 | 123.5 Ų | 123.5 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -154.5 | 81.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||
| 250 | G | 50.1 | Low | 60 | Low | 77 Ų | 77 | 129.8 Ų | 129.8 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 164.7 | -8.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 251 | A | 48.5 | Very low | 57.7 | Low | 102 Ų | 102 | 136.5 Ų | 136.5 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -120.8 | 68.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | A253 | A251-A253 PolarHBondContact O-N 2.88Š| ||
| 252 | T | 44.2 | Very low | 55.6 | Low | 132 Ų | 132 | 143.3 Ų | 143.3 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -48.4 | 127.7 | 159.5 | 30.8 | 0 | 0 | 0 | 0 | 109.8 | K254 | T252-K254 PolarHBondContact O-N 3.39Å; T252-K254 VanDerWaalsContact O-N 3.13Å | ||
| 253 | A | 53.4 | Low | 53.9 | Low | 99 Ų | 99 | 146.4 Ų | 146.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -41.4 | 114 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A251 | A251-A253 PolarHBondContact O-N 2.88Š| ||
| 254 | K | 50.3 | Low | 52.2 | Low | 206 Ų | 206 | 146.8 Ų | 146.8 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | trans | -97.6 | 91.9 | 151.2 | -77.9 | -160.5 | 177.1 | -177.9 | 0 | 107 | T252 K256 | T252-K254 PolarHBondContact O-N 3.39Å; T252-K254 VanDerWaalsContact O-N 3.13Å; K254-K256 PolarHBondContact O-N 3.43Å; K254-K256 VanDerWaalsContact O-N 3.14Å | ||
| 255 | G | 51 | Low | 51 | Low | 69 Ų | 69 | 146.2 Ų | 146.2 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | trans | -55 | 114.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | V257 | G255-V257 VanDerWaalsContact C-N 3.29Å; G255-V257 PolarHBondContact O-N 3.2Å | ||
| 256 | K | 48 | Very low | 50.4 | Low | 205 Ų | 205 | 147.1 Ų | 147.1 | 89% | 0.891 | 83% | 0.834 | S | S | * | * | trans | -88.2 | 80 | 165.3 | -166.5 | 150.6 | -178.7 | 171.5 | 0 | 107.1 | K254 G258 | K254-K256 PolarHBondContact O-N 3.43Å; K254-K256 VanDerWaalsContact O-N 3.14Å; K256-G258 PolarHBondContact O-N 3.35Å | ||
| 257 | V | 54.7 | Low | 49.9 | Very low | 148 Ų | 148 | 150.6 Ų | 150.6 | 90% | 0.897 | 85% | 0.847 | S | S | * | * | trans | -69.3 | 101 | 158.5 | 175.2 | 0 | 0 | 0 | 0 | 105.7 | G255 | G255-V257 VanDerWaalsContact C-N 3.29Å; G255-V257 PolarHBondContact O-N 3.2Å | ||
| 258 | G | 43.6 | Very low | 49.4 | Very low | 66 Ų | 66 | 148.1 Ų | 148.1 | 68% | 0.68 | 85% | 0.849 | S | S | * | * | trans | -133.1 | 83 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | K256 | K256-G258 PolarHBondContact O-N 3.35Š| ||
| 259 | G | 52.7 | Low | 49.1 | Very low | 75 Ų | 75 | 144.6 Ų | 144.6 | 77% | 0.773 | 85% | 0.848 | S | S | * | * | trans | -63.5 | 153.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 260 | R | 46.8 | Very low | 48.9 | Very low | 232 Ų | 232 | 148.6 Ų | 148.6 | 88% | 0.875 | 86% | 0.855 | S | S | * | * | trans | -153.7 | 110.4 | 143 | -166.6 | 161.1 | 170.8 | -154.1 | -5.4 | 109.1 | ||||
| 261 | W | 44 | Very low | 48.8 | Very low | 251 Ų | 251 | 154.6 Ų | 154.6 | 95% | 0.951 | 86% | 0.86 | S | S | * | * | trans | -78.5 | 156 | 158 | -84.7 | 32.3 | 0 | 0 | 0 | 109.5 | ||||
| 262 | K | 48.5 | Very low | 48.8 | Very low | 270 Ų | 270 | 159.4 Ų | 159.4 | 100% | 1.174 | 86% | 0.862 | S | S | * | * | trans | 75.1 | 0 | -178.4 | -82.9 | -178.9 | 172.2 | 171.7 | 0 | 116.6 |
Retrieved 262 of 262 residues in 174.4 ms
(Link to these results)