| 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 | 52.8 | Low | 49.2 | Very low | 238 Ų | 238 | 176.6 Ų | 176.6 | 100% | 1.172 | 87% | 0.866 | S | S | * | * | 0 | 67.8 | 0 | -62.1 | -176.1 | -177.4 | 0 | 0 | 106.2 | |||||
| 2 | E | 41 | Very low | 49.4 | Very low | 179 Ų | 179 | 175.3 Ų | 175.3 | 84% | 0.836 | 87% | 0.865 | S | S | * | * | 45.8 | 97.8 | 71.4 | -99 | -175.1 | 159.4 | 0 | 0 | 112.8 | |||||
| 3 | Y | 50.4 | Low | 49.7 | Very low | 229 Ų | 229 | 172.3 Ų | 172.3 | 90% | 0.898 | 86% | 0.862 | S | S | * | * | trans | -155.7 | 100.9 | 134.2 | -109 | -79.1 | 0 | 0 | 0 | 108.9 | ||||
| 4 | N | 45 | Very low | 49.8 | Very low | 143 Ų | 143 | 168.1 Ų | 168.1 | 77% | 0.765 | 84% | 0.844 | S | S | * | * | trans | -78.1 | 136.7 | 166.2 | -91.6 | -29.4 | 0 | 0 | 0 | 109.2 | ||||
| 5 | H | 57.6 | Low | 50 | Low | 186 Ų | 186 | 164.7 Ų | 164.7 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | trans | -126.1 | 91.8 | 156.1 | -107.7 | -62.3 | 0 | 0 | 0 | 109 | ||||
| 6 | H | 49.5 | Very low | 49.8 | Very low | 180 Ų | 180 | 162.5 Ų | 162.5 | 83% | 0.833 | 83% | 0.826 | S | S | * | * | trans | -72 | 126.8 | 156.6 | -99.7 | -61 | 0 | 0 | 0 | 108.3 | ||||
| 7 | G | 50.4 | Low | 49.7 | Very low | 68 Ų | 68 | 155.3 Ų | 155.3 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -137 | 103.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | H9 | G7-H9 PolarHBondContact O-N 3.4Š| ||
| 8 | N | 43.3 | Very low | 49.5 | Very low | 163 Ų | 163 | 152.8 Ų | 152.8 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -35.3 | 117.6 | 172.7 | -73.6 | -24 | 0 | 0 | 0 | 115.3 | ||||
| 9 | H | 51.6 | Low | 49.1 | Very low | 194 Ų | 194 | 149.5 Ų | 149.5 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | -137.6 | 75.8 | 157.7 | -93.9 | -58.2 | 0 | 0 | 0 | 109.3 | G7 | G7-H9 PolarHBondContact O-N 3.4Š| ||
| 10 | Q | 49.3 | Very low | 48.7 | Very low | 181 Ų | 181 | 146.3 Ų | 146.3 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | -156 | 74.8 | 178.1 | -152.6 | 155.7 | -0.3 | 0 | 0 | 109.8 | ||||
| 11 | H | 50.2 | Low | 48.4 | Very low | 182 Ų | 182 | 145.5 Ų | 145.5 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -165.3 | 1.1 | 157.3 | -118.3 | -61.4 | 0 | 0 | 0 | 120.1 | ||
| 12 | D | 51.2 | Low | 47.6 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -108.6 | 20.3 | -172.3 | -69.9 | -33.6 | 0 | 0 | 0 | 116.6 | ||
| 13 | V | 54.5 | Low | 47.4 | Very low | 137 Ų | 137 | 140 Ų | 140 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -98.1 | 0.1 | -173.3 | -174.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 14 | N | 50.7 | Low | 46.9 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 61% | 0.61 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -123.6 | 13.4 | -167.7 | -144 | 11.2 | 0 | 0 | 0 | 117.8 | S17 | N14-S17 PolarHBondContact O-OG 3.46Å; N14-S17 PolarHBondContact OD1-OG 3.45Å |
| 15 | V | 52.4 | Low | 46.7 | Very low | 116 Ų | 116 | 131 Ų | 131 | 70% | 0.703 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -105.5 | -25.4 | 175.5 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | T19 | V15-T19 PolarHBondContact O-OG1 3.42Š|
| 16 | N | 47 | Very low | 46.4 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 70% | 0.695 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -82.3 | -17.5 | 176 | -72 | -13.1 | 0 | 0 | 0 | 113.8 | T19 T20 | N16-T19 PolarHBondContact O-OG1 3.25Å; N16-T20 PolarHBondContact O-N 3.11Å; N16-T20 PolarHBondContact O-OG1 3.18Å |
| 17 | S | 48.5 | Very low | 46.7 | Very low | 40 Ų | 40 | 118.6 Ų | 118.6 | 28% | 0.28 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -77.3 | -30.6 | 176.1 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | N14 T20 I21 | N14-S17 PolarHBondContact O-OG 3.46Å; N14-S17 PolarHBondContact OD1-OG 3.45Å; S17-T20 WeakPolarHBondContact CA-OG1 3.38Å; S17-T20 PolarHBondContact O-OG1 3.24Å; S17-I21 VanDerWaalsContact O-CD1 3.26Å; S17-I21 WeakPolarHBondContact O-CD1 3.5Å; S17-I21 WeakPolarHBondContact O-CG1 3.32Å; S17-I21 PolarHBondContact O-N 3.2Å |
| 18 | I | 44.8 | Very low | 47.5 | Very low | 111 Ų | 111 | 116.3 Ų | 116.3 | 57% | 0.569 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -82.6 | -24.3 | -177 | -59.9 | 176 | 0 | 0 | 0 | 111.3 | ||
| 19 | T | 43.4 | Very low | 48.8 | Very low | 89 Ų | 89 | 113.2 Ų | 113.2 | 55% | 0.546 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -86.5 | -20.5 | 172.1 | 43.3 | 0 | 0 | 0 | 0 | 113.9 | V15 N16 | V15-T19 PolarHBondContact O-OG1 3.42Å; N16-T19 PolarHBondContact O-OG1 3.25Å |
| 20 | T | 40.9 | Very low | 50.1 | Low | 86 Ų | 86 | 104.5 Ų | 104.5 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -79.7 | -24.9 | 172.1 | 18.7 | 0 | 0 | 0 | 0 | 113.3 | N16 S17 N22 H23 | N16-T20 PolarHBondContact O-N 3.11Å; N16-T20 PolarHBondContact O-OG1 3.18Å; S17-T20 WeakPolarHBondContact CA-OG1 3.38Å; S17-T20 PolarHBondContact O-OG1 3.24Å; T20-N22 VanDerWaalsContact C-N 3.27Å; T20-N22 PolarHBondContact O-N 3.33Å; T20-H23 PolarHBondContact O-N 3.22Å |
| 21 | I | 42 | Very low | 51.8 | Low | 129 Ų | 129 | 96.4 Ų | 96.4 | 66% | 0.662 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -21.9 | 178.9 | -69.1 | 165.1 | 0 | 0 | 0 | 112.3 | S17 | S17-I21 VanDerWaalsContact O-CD1 3.26Å; S17-I21 WeakPolarHBondContact O-CD1 3.5Å; S17-I21 WeakPolarHBondContact O-CG1 3.32Å; S17-I21 PolarHBondContact O-N 3.2Å |
| 22 | N | 35.6 | Very low | 53.6 | Low | 139 Ų | 139 | 90.1 Ų | 90.1 | 74% | 0.743 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 1.7 | 174.4 | -75.4 | -17.7 | 0 | 0 | 0 | 114.2 | T20 | T20-N22 VanDerWaalsContact C-N 3.27Å; T20-N22 PolarHBondContact O-N 3.33Å |
| 23 | H | 36.4 | Very low | 55.4 | Low | 163 Ų | 163 | 86.1 Ų | 86.1 | 76% | 0.755 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -108 | 2.2 | -177.7 | -118.8 | -68.9 | 0 | 0 | 0 | 114.4 | T20 A25 | T20-H23 PolarHBondContact O-N 3.22Å; H23-A25 PolarHBondContact O-N 3.31Å |
| 24 | I | 40.1 | Very low | 57.2 | Low | 126 Ų | 126 | 79.7 Ų | 79.7 | 65% | 0.646 | 44% | 0.443 | S | S | * | . | trans | -92 | 51.6 | 163.6 | -47.9 | 178.6 | 0 | 0 | 0 | 108.1 | N26 | I24-N26 WeakPolarHBondContact CG2-OD1 3.4Å; I24-N26 PolarHBondContact O-N 3.32Å | ||
| 25 | A | 41.8 | Very low | 59.2 | Low | 58 Ų | 58 | 75 Ų | 75 | 48% | 0.479 | 42% | 0.418 | S | S | . | . | trans | -72 | 78.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 105.1 | H23 G27 | H23-A25 PolarHBondContact O-N 3.31Å; A25-G27 PolarHBondContact O-N 2.94Å; A25-G27 VanDerWaalsContact O-N 3.16Å | ||
| 26 | N | 51.7 | Low | 61.1 | Low | 74 Ų | 74 | 70.2 Ų | 70.2 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | trans | -44.6 | 127.8 | 166.5 | -78.7 | -7.1 | 0 | 0 | 0 | 105.5 | I24 N28 E260 | I24-N26 WeakPolarHBondContact CG2-OD1 3.4Å; I24-N26 PolarHBondContact O-N 3.32Å; N26-N28 PolarHBondContact O-N 3.13Å; N26-E260 PolarHBondContact ND2-OE1 3.09Å; N26-E260 VanDerWaalsContact ND2-OE1 3.17Å | ||
| 27 | G | 55.4 | Low | 63.4 | Low | 31 Ų | 31 | 66.1 Ų | 66.1 | 32% | 0.32 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 26.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | A25 E29 | A25-G27 PolarHBondContact O-N 2.94Å; A25-G27 VanDerWaalsContact O-N 3.16Å; G27-E29 VanDerWaalsContact C-N 3.33Å |
| 28 | N | 66.5 | Low | 65.6 | Low | 19 Ų | 19 | 64.4 Ų | 64.4 | 10% | 0.102 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -3.8 | 170.3 | -62.6 | -16.6 | 0 | 0 | 0 | 112.5 | N26 G30 L31 N251 E260 | N26-N28 PolarHBondContact O-N 3.13Å; N28-G30 PolarHBondContact O-N 3.29Å; N28-L31 HydrophobicContact CB-CB 4.41Å; N28-L31 HydrophobicContact CB-CD2 4.28Å; N28-L31 WeakPolarHBondContact O-CB 3.26Å; N28-L31 PolarHBondContact O-N 3.21Å; N28-N251 PolarHBondContact O-ND2 3.33Å; N28-E260 PolarHBondContact ND2-OE1 3.32Å |
| 29 | E | 71.5 | Confident | 68.1 | Low | 99 Ų | 99 | 59.1 Ų | 59.1 | 46% | 0.463 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 126.3 | 171.3 | -67.1 | -163.5 | -172.3 | 0 | 0 | 110 | G27 L31 L122 | G27-E29 VanDerWaalsContact C-N 3.33Å; E29-L31 VanDerWaalsContact C-N 3.25Å; E29-L31 PolarHBondContact O-N 2.95Å; E29-L122 WeakPolarHBondContact CB-O 3.5Å |
| 30 | G | 79.1 | Confident | 70.6 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -8.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116 | N28 F32 L33 S34 T119 | N28-G30 PolarHBondContact O-N 3.29Å; G30-F32 VanDerWaalsContact C-N 3.25Å; G30-F32 PolarHBondContact O-N 3.1Å; G30-L33 WeakPolarHBondContact O-CB 3.17Å; G30-L33 PolarHBondContact O-N 3.1Å; G30-S34 PolarHBondContact O-N 3.07Å; G30-T119 WeakPolarHBondContact O-CG2 3.41Å |
| 31 | L | 85.1 | Confident | 73.1 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.2 | -39 | 177.9 | -176.2 | 67 | 0 | 0 | 0 | 112.2 | N28 E29 L33 S35 L250 | N28-L31 HydrophobicContact CB-CB 4.41Å; N28-L31 HydrophobicContact CB-CD2 4.28Å; N28-L31 WeakPolarHBondContact O-CB 3.26Å; N28-L31 PolarHBondContact O-N 3.21Å; E29-L31 VanDerWaalsContact C-N 3.25Å; E29-L31 PolarHBondContact O-N 2.95Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 2.97Å; L31-S35 WeakPolarHBondContact O-CB 3.43Å; L31-S35 PolarHBondContact O-N 3.44Å; L31-S35 PolarHBondContact O-OG 3.16Å; L31-L250 HydrophobicContact CD2-CB 3.8Å; L31-L250 HydrophobicContact CD2-CD1 3.75Å; L31-L250 HydrophobicContact CD2-CG 4.44Å |
| 32 | F | 87.3 | Confident | 75.7 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 22% | 0.219 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 174.9 | 176.9 | -107.2 | 0 | 0 | 0 | 111.7 | G30 S36 F248 N251 P253 | G30-F32 VanDerWaalsContact C-N 3.25Å; G30-F32 PolarHBondContact O-N 3.1Å; F32-S36 VanDerWaalsContact CE2-OG 3.23Å; F32-S36 WeakPolarHBondContact CE2-OG 3.29Å; F32-S36 WeakPolarHBondContact CZ-OG 3.36Å; F32-S36 WeakPolarHBondContact O-CB 3.35Å; F32-S36 PolarHBondContact O-N 3.38Å; F32-S36 PolarHBondContact O-OG 2.98Å; F32-F248 HydrophobicContact CD2-CD1 4.25Å; F32-F248 HydrophobicContact CD2-CE1 4.46Å; F32-F248 HydrophobicContact CD2-CG 4.46Å; F32-F248 AromaticContact CE2-CD1 3.37Å; F32-F248 HydrophobicContact CE2-CD1 3.37Å; F32-F248 AromaticContact CE2-CD2 3.97Å; F32-F248 HydrophobicContact CE2-CD2 3.97Å; F32-F248 AromaticContact CE2-CE1 3.26Å; F32-F248 HydrophobicContact CE2-CE1 3.26Å; F32-F248 AromaticContact CE2-CE2 3.86Å; F32-F248 HydrophobicContact CE2-CE2 3.86Å; F32-F248 AromaticContact CE2-CG 3.72Å; F32-F248 HydrophobicContact CE2-CG 3.72Å; F32-F248 AromaticContact CE2-CZ 3.51Å; F32-F248 HydrophobicContact CE2-CZ 3.51Å; F32-F248 HydrophobicContact CZ-CD1 4.01Å; F32-F248 AromaticContact CZ-CE1 3.42Å; F32-F248 HydrophobicContact CZ-CE1 3.42Å; F32-F248 VanDerWaalsContact CZ-CE1 3.42Å; F32-F248 HydrophobicContact CZ-CE2 4.28Å; F32-F248 AromaticContact CZ-CZ 3.57Å; F32-F248 HydrophobicContact CZ-CZ 3.57Å; F32-N251 HydrophobicContact CB-CB 4.19Å; F32-N251 WeakPolarHBondContact CB-O 3.36Å; F32-P253 HydrophobicContact CE1-CG 4.31Å; F32-P253 HydrophobicContact CZ-CG 4.38Å |
| 33 | L | 89.4 | Confident | 78.6 | Confident | 77 Ų | 77 | 46.5 Ų | 46.5 | 40% | 0.403 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.3 | -49.2 | -177.6 | -174 | 72.3 | 0 | 0 | 0 | 111.3 | G30 L31 Y37 V115 I118 T119 | G30-L33 WeakPolarHBondContact O-CB 3.17Å; G30-L33 PolarHBondContact O-N 3.1Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 2.97Å; L33-Y37 WeakPolarHBondContact O-CB 3.49Å; L33-Y37 PolarHBondContact O-N 3.14Å; L33-V115 HydrophobicContact CD2-CG1 4.1Å; L33-V115 HydrophobicContact CG-CG1 3.91Å; L33-I118 HydrophobicContact CD2-CG2 4.42Å; L33-T119 HydrophobicContact CB-CG2 4.21Å; L33-T119 HydrophobicContact CD2-CG2 4.14Å |
| 34 | S | 91.8 | Very high | 81.4 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.8 | -49.9 | 177.2 | 159.8 | 0 | 0 | 0 | 0 | 111.4 | G30 Y37 L38 E116 R124 | G30-S34 PolarHBondContact O-N 3.07Å; S34-Y37 PolarHBondContact O-N 3.4Å; S34-L38 WeakPolarHBondContact O-CB 3.34Å; S34-L38 PolarHBondContact O-N 2.9Å; S34-E116 WeakPolarHBondContact CB-OE1 3.42Å; S34-E116 PolarHBondContact OG-OE1 2.89Å; S34-R124 PolarHBondContact OG-NH2 3.38Å |
| 35 | S | 92.4 | Very high | 84 | Confident | 14 Ų | 14 | 37.1 Ų | 37.1 | 10% | 0.098 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.1 | -43.5 | -178.6 | -54 | 0 | 0 | 0 | 0 | 111.6 | L31 Y37 L38 G39 I243 | L31-S35 WeakPolarHBondContact O-CB 3.43Å; L31-S35 PolarHBondContact O-N 3.44Å; L31-S35 PolarHBondContact O-OG 3.16Å; S35-Y37 PolarHBondContact O-N 3.25Å; S35-L38 PolarHBondContact O-N 3.12Å; S35-G39 PolarHBondContact O-N 3.1Å; S35-I243 VanDerWaalsContact O-CG2 3.29Å; S35-I243 WeakPolarHBondContact O-CG2 3.38Å |
| 36 | S | 92.9 | Very high | 86.4 | Confident | 16 Ų | 16 | 34.3 Ų | 34.3 | 11% | 0.112 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 177.7 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | F32 I40 | F32-S36 VanDerWaalsContact CE2-OG 3.23Å; F32-S36 WeakPolarHBondContact CE2-OG 3.29Å; F32-S36 WeakPolarHBondContact CZ-OG 3.36Å; F32-S36 WeakPolarHBondContact O-CB 3.35Å; F32-S36 PolarHBondContact O-N 3.38Å; F32-S36 PolarHBondContact O-OG 2.98Å; S36-I40 WeakPolarHBondContact O-CB 3.5Å; S36-I40 WeakPolarHBondContact O-CD1 3.49Å; S36-I40 WeakPolarHBondContact O-CG1 3.44Å; S36-I40 PolarHBondContact O-N 3.21Å |
| 37 | Y | 94.9 | Very high | 88.4 | Confident | 44 Ų | 44 | 33.8 Ų | 33.8 | 17% | 0.173 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.2 | -49.4 | 178.9 | -179.6 | -93.9 | 0 | 0 | 0 | 112.1 | L33 S34 S35 S41 C108 I111 G112 V115 Y134 | L33-Y37 WeakPolarHBondContact O-CB 3.49Å; L33-Y37 PolarHBondContact O-N 3.14Å; S34-Y37 PolarHBondContact O-N 3.4Å; S35-Y37 PolarHBondContact O-N 3.25Å; Y37-S41 WeakPolarHBondContact CE1-OG 3.27Å; Y37-S41 WeakPolarHBondContact O-CB 3.32Å; Y37-S41 PolarHBondContact O-N 3.33Å; Y37-S41 PolarHBondContact O-OG 3.03Å; Y37-C108 WeakPolarHBondContact OH-CA 3.45Å; Y37-C108 PolarHBondContact OH-O 3.17Å; Y37-I111 HydrophobicContact CD2-CG2 4.32Å; Y37-I111 HydrophobicContact CE1-CG2 4.45Å; Y37-I111 HydrophobicContact CE2-CB 4.26Å; Y37-I111 HydrophobicContact CE2-CG2 3.43Å; Y37-I111 VanDerWaalsContact CE2-CG2 3.43Å; Y37-I111 VanDerWaalsContact OH-CB 3.31Å; Y37-I111 WeakPolarHBondContact OH-CB 3.33Å; Y37-I111 WeakPolarHBondContact OH-CG2 3.26Å; Y37-G112 VanDerWaalsContact CE1-N 3.35Å; Y37-V115 HydrophobicContact CD1-CG2 4.5Å; Y37-V115 HydrophobicContact CD2-CG2 4.2Å; Y37-V115 HydrophobicContact CG-CB 4.48Å; Y37-V115 HydrophobicContact CG-CG1 4.47Å; Y37-V115 HydrophobicContact CG-CG2 4.1Å; Y37-Y134 HydrophobicContact CE1-CE1 4.42Å |
| 38 | L | 95.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | 178.3 | 177.7 | 60.1 | 0 | 0 | 0 | 111.3 | S34 S35 S41 L42 Q130 F133 Y134 I243 | S34-L38 WeakPolarHBondContact O-CB 3.34Å; S34-L38 PolarHBondContact O-N 2.9Å; S35-L38 PolarHBondContact O-N 3.12Å; L38-S41 PolarHBondContact O-N 3.49Å; L38-L42 HydrophobicContact CD1-CD1 4.07Å; L38-L42 HydrophobicContact CD1-CG 4.41Å; L38-L42 HydrophobicContact CG-CD1 4.19Å; L38-L42 WeakPolarHBondContact O-CG 3.19Å; L38-L42 PolarHBondContact O-N 3.05Å; L38-Q130 HydrophobicContact CD2-CG 4.16Å; L38-F133 HydrophobicContact CD1-CD1 3.59Å; L38-F133 HydrophobicContact CD1-CE1 3.27Å; L38-F133 HydrophobicContact CD1-CG 4.46Å; L38-F133 HydrophobicContact CD1-CZ 3.9Å; L38-Y134 HydrophobicContact CD1-CE1 4.26Å; L38-I243 HydrophobicContact CB-CG2 4.4Å; L38-I243 HydrophobicContact CD2-CD1 4.27Å; L38-I243 HydrophobicContact CD2-CG2 4.33Å; L38-I243 HydrophobicContact CG-CD1 4.35Å; L38-I243 HydrophobicContact CG-CG2 4.38Å |
| 39 | G | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.2 | -43.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | S35 S41 L42 L43 G240 C244 | S35-G39 PolarHBondContact O-N 3.1Å; G39-S41 PolarHBondContact O-N 3.44Å; G39-L42 PolarHBondContact O-N 3.19Å; G39-L43 VanDerWaalsContact O-CB 3.3Å; G39-L43 WeakPolarHBondContact O-CB 3.48Å; G39-L43 PolarHBondContact O-N 3.21Å; G39-G240 CarbonylContact C-O 3.59Å; G39-G240 WeakPolarHBondContact CA-O 3.39Å; G39-G240 CarbonylContact O-C 3.47Å; G39-G240 WeakPolarHBondContact O-CA 3.46Å; G39-C244 WeakPolarHBondContact CA-SG 3.34Å |
| 40 | I | 95.9 | Very high | 92.3 | Very high | 92 Ų | 92 | 32.8 Ų | 32.8 | 47% | 0.472 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 175.1 | -69.2 | 165.7 | 0 | 0 | 0 | 110.6 | S36 L42 L43 C44 C244 | S36-I40 WeakPolarHBondContact O-CB 3.5Å; S36-I40 WeakPolarHBondContact O-CD1 3.49Å; S36-I40 WeakPolarHBondContact O-CG1 3.44Å; S36-I40 PolarHBondContact O-N 3.21Å; I40-L42 VanDerWaalsContact C-N 3.34Å; I40-L42 PolarHBondContact O-N 3.45Å; I40-L43 WeakPolarHBondContact O-CB 3.38Å; I40-L43 PolarHBondContact O-N 2.9Å; I40-C44 WeakPolarHBondContact O-CB 3.21Å; I40-C44 PolarHBondContact O-N 2.79Å; I40-C44 PolarHBondContact O-SG 3.16Å; I40-C44 VanDerWaalsContact O-SG 3.35Å; I40-C244 PolarHBondContact N-SG 3.4Å; I40-C244 VanDerWaalsContact N-SG 3.39Å |
| 41 | S | 95.3 | Very high | 92.7 | Very high | 29 Ų | 29 | 35.6 Ų | 35.6 | 20% | 0.203 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 179.2 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | Y37 L38 G39 L45 | Y37-S41 WeakPolarHBondContact CE1-OG 3.27Å; Y37-S41 WeakPolarHBondContact O-CB 3.32Å; Y37-S41 PolarHBondContact O-N 3.33Å; Y37-S41 PolarHBondContact O-OG 3.03Å; L38-S41 PolarHBondContact O-N 3.49Å; G39-S41 PolarHBondContact O-N 3.44Å; S41-L45 WeakPolarHBondContact O-CB 3.49Å; S41-L45 PolarHBondContact O-N 3.49Å |
| 42 | L | 96 | Very high | 92.8 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.4 | -38 | 176.4 | -75.7 | 172.5 | 0 | 0 | 0 | 113 | L38 G39 I40 L45 G46 F133 F166 I243 | L38-L42 HydrophobicContact CD1-CD1 4.07Å; L38-L42 HydrophobicContact CD1-CG 4.41Å; L38-L42 HydrophobicContact CG-CD1 4.19Å; L38-L42 WeakPolarHBondContact O-CG 3.19Å; L38-L42 PolarHBondContact O-N 3.05Å; G39-L42 PolarHBondContact O-N 3.19Å; I40-L42 VanDerWaalsContact C-N 3.34Å; I40-L42 PolarHBondContact O-N 3.45Å; L42-L45 HydrophobicContact CD2-CD2 4.48Å; L42-L45 PolarHBondContact O-N 3.48Å; L42-G46 PolarHBondContact O-N 3.47Å; L42-F133 HydrophobicContact CD1-CZ 4.31Å; L42-F133 HydrophobicContact CD2-CZ 3.89Å; L42-F133 HydrophobicContact CG-CZ 4.32Å; L42-F166 HydrophobicContact CD2-CE1 3.79Å; L42-F166 HydrophobicContact CD2-CZ 3.94Å; L42-I243 HydrophobicContact CD1-CD1 3.7Å |
| 43 | L | 95.9 | Very high | 92.7 | Very high | 53 Ų | 53 | 35.4 Ų | 35.4 | 28% | 0.277 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.3 | -48.7 | 174.2 | -173.7 | 101.9 | 0 | 0 | 0 | 110.6 | G39 I40 L45 G46 L47 I237 | G39-L43 VanDerWaalsContact O-CB 3.3Å; G39-L43 WeakPolarHBondContact O-CB 3.48Å; G39-L43 PolarHBondContact O-N 3.21Å; I40-L43 WeakPolarHBondContact O-CB 3.38Å; I40-L43 PolarHBondContact O-N 2.9Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.25Å; L43-G46 PolarHBondContact O-N 2.79Å; L43-L47 HydrophobicContact CD2-CD1 4.05Å; L43-L47 HydrophobicContact CG-CD1 4.12Å; L43-L47 WeakPolarHBondContact O-CB 3.33Å; L43-L47 VanDerWaalsContact O-CG 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.29Å; L43-L47 PolarHBondContact O-N 3.44Å; L43-I237 HydrophobicContact CD1-CG2 4.13Å |
| 44 | C | 95.4 | Very high | 92.5 | Very high | 71 Ų | 71 | 31.9 Ų | 31.9 | 48% | 0.48 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 176.9 | -72.8 | 0 | 0 | 0 | 0 | 111.7 | I40 L47 W48 | I40-C44 WeakPolarHBondContact O-CB 3.21Å; I40-C44 PolarHBondContact O-N 2.79Å; I40-C44 PolarHBondContact O-SG 3.16Å; I40-C44 VanDerWaalsContact O-SG 3.35Å; C44-L47 PolarHBondContact O-N 3.46Å; C44-W48 WeakPolarHBondContact O-CB 3.19Å; C44-W48 PolarHBondContact O-N 2.99Å |
| 45 | L | 94.1 | Very high | 92.1 | Very high | 20 Ų | 20 | 39 Ų | 39 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.7 | -47 | 176 | -178.3 | 68 | 0 | 0 | 0 | 112 | S41 L42 L43 W48 W49 M137 | S41-L45 WeakPolarHBondContact O-CB 3.49Å; S41-L45 PolarHBondContact O-N 3.49Å; L42-L45 HydrophobicContact CD2-CD2 4.48Å; L42-L45 PolarHBondContact O-N 3.48Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.25Å; L45-W48 WeakPolarHBondContact O-CB 3.49Å; L45-W48 PolarHBondContact O-N 3.27Å; L45-W49 HydrophobicContact CD1-CD2 4.47Å; L45-W49 HydrophobicContact CD1-CZ2 3.91Å; L45-W49 HydrophobicContact CD2-CH2 4.01Å; L45-W49 HydrophobicContact CD2-CZ2 3.94Å; L45-W49 HydrophobicContact CG-CD2 4.28Å; L45-W49 HydrophobicContact CG-CH2 4.33Å; L45-W49 HydrophobicContact CG-CZ2 3.96Å; L45-W49 PolarHBondContact O-N 3.01Å; L45-M137 HydrophobicContact CD2-CE 3.64Å |
| 46 | G | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.2 | -40.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L42 L43 W49 W50 I237 | L42-G46 PolarHBondContact O-N 3.47Å; L43-G46 PolarHBondContact O-N 2.79Å; G46-W49 PolarHBondContact O-N 3.13Å; G46-W50 VanDerWaalsContact O-CB 3.31Å; G46-W50 WeakPolarHBondContact O-CB 3.46Å; G46-W50 PolarHBondContact O-N 2.96Å; G46-I237 VanDerWaalsContact C-CG1 3.49Å |
| 47 | L | 92.9 | Very high | 90.7 | Very high | 63 Ų | 63 | 45.7 Ų | 45.7 | 33% | 0.33 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64 | -40.8 | 173.3 | -74.4 | 171.9 | 0 | 0 | 0 | 111.9 | L43 C44 W50 I51 I237 | L43-L47 HydrophobicContact CD2-CD1 4.05Å; L43-L47 HydrophobicContact CG-CD1 4.12Å; L43-L47 WeakPolarHBondContact O-CB 3.33Å; L43-L47 VanDerWaalsContact O-CG 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.29Å; L43-L47 PolarHBondContact O-N 3.44Å; C44-L47 PolarHBondContact O-N 3.46Å; L47-W50 PolarHBondContact O-N 3.45Å; L47-I51 WeakPolarHBondContact O-CB 3.01Å; L47-I51 VanDerWaalsContact O-CG1 3.23Å; L47-I51 WeakPolarHBondContact O-CG1 3.46Å; L47-I51 PolarHBondContact O-N 3.36Å; L47-I237 HydrophobicContact CD2-CD1 3.98Å; L47-I237 HydrophobicContact CG-CD1 4.28Å; L47-I237 HydrophobicContact CG-CG1 4.5Å |
| 48 | W | 92.2 | Very high | 89.8 | Confident | 100 Ų | 100 | 43.8 Ų | 43.8 | 38% | 0.379 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60 | -50.5 | 175.9 | 172.9 | -102.6 | 0 | 0 | 0 | 111.6 | C44 L45 W50 I51 Q52 E101 | C44-W48 WeakPolarHBondContact O-CB 3.19Å; C44-W48 PolarHBondContact O-N 2.99Å; L45-W48 WeakPolarHBondContact O-CB 3.49Å; L45-W48 PolarHBondContact O-N 3.27Å; W48-W50 VanDerWaalsContact C-N 3.29Å; W48-W50 PolarHBondContact O-N 2.9Å; W48-I51 PolarHBondContact O-N 2.71Å; W48-Q52 WeakPolarHBondContact O-CG 3.37Å; W48-Q52 PolarHBondContact O-N 2.99Å; W48-E101 PolarHBondContact NE1-OE2 3.33Å; W48-E101 VanDerWaalsContact NE1-OE2 3.1Å |
| 49 | W | 91.3 | Very high | 88.8 | Confident | 27 Ų | 27 | 46.6 Ų | 46.6 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -39.9 | 175.3 | -70.2 | -14.3 | 0 | 0 | 0 | 112.4 | L45 G46 Q52 A53 E101 K232 V236 | L45-W49 HydrophobicContact CD1-CD2 4.47Å; L45-W49 HydrophobicContact CD1-CZ2 3.91Å; L45-W49 HydrophobicContact CD2-CH2 4.01Å; L45-W49 HydrophobicContact CD2-CZ2 3.94Å; L45-W49 HydrophobicContact CG-CD2 4.28Å; L45-W49 HydrophobicContact CG-CH2 4.33Å; L45-W49 HydrophobicContact CG-CZ2 3.96Å; L45-W49 PolarHBondContact O-N 3.01Å; G46-W49 PolarHBondContact O-N 3.13Å; W49-Q52 PolarHBondContact O-N 3.23Å; W49-A53 WeakPolarHBondContact O-CB 3.45Å; W49-A53 PolarHBondContact O-N 3.48Å; W49-E101 PolarHBondContact NE1-OE1 2.95Å; W49-K232 HydrophobicContact CE3-CD 4.38Å; W49-K232 HydrophobicContact CZ3-CD 4.43Å; W49-V236 HydrophobicContact CE3-CG2 4.15Å; W49-V236 HydrophobicContact CZ3-CG1 4.41Å; W49-V236 HydrophobicContact CZ3-CG2 3.77Å |
| 50 | W | 91.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65 | -46.1 | 177.8 | -174.6 | -123.9 | 0 | 0 | 0 | 112.6 | G46 L47 W48 Q52 A53 L54 W230 C233 I237 L288 | G46-W50 VanDerWaalsContact O-CB 3.31Å; G46-W50 WeakPolarHBondContact O-CB 3.46Å; G46-W50 PolarHBondContact O-N 2.96Å; L47-W50 PolarHBondContact O-N 3.45Å; W48-W50 VanDerWaalsContact C-N 3.29Å; W48-W50 PolarHBondContact O-N 2.9Å; W50-Q52 VanDerWaalsContact C-N 3.34Å; W50-Q52 PolarHBondContact O-N 3.42Å; W50-A53 PolarHBondContact O-N 3.37Å; W50-L54 HydrophobicContact CD2-CD1 4.36Å; W50-L54 HydrophobicContact CD2-CG 4.36Å; W50-L54 HydrophobicContact CH2-CD2 4Å; W50-L54 HydrophobicContact CH2-CG 4.48Å; W50-L54 HydrophobicContact CZ2-CD1 4.08Å; W50-L54 HydrophobicContact CZ2-CD2 3.86Å; W50-L54 HydrophobicContact CZ2-CG 4.15Å; W50-L54 WeakPolarHBondContact O-CG 3.26Å; W50-L54 PolarHBondContact O-N 3.35Å; W50-W230 HydrophobicContact CH2-CB 4.22Å; W50-W230 AromaticContact CH2-CD1 3.35Å; W50-W230 HydrophobicContact CH2-CG 4.17Å; W50-W230 AromaticContact CZ2-CD1 3.93Å; W50-W230 HydrophobicContact CZ3-CB 3.99Å; W50-W230 AromaticContact CZ3-CD1 3.72Å; W50-W230 HydrophobicContact CZ3-CG 4.29Å; W50-C233 HydrophobicContact CB-CB 4.03Å; W50-C233 HydrophobicContact CD2-CB 4.22Å; W50-C233 HydrophobicContact CE3-CB 3.67Å; W50-C233 HydrophobicContact CG-CB 4.4Å; W50-I237 HydrophobicContact CB-CD1 4.26Å; W50-L288 HydrophobicContact CH2-CD1 3.98Å; W50-L288 HydrophobicContact CZ2-CB 4.12Å; W50-L288 HydrophobicContact CZ2-CD1 4.1Å |
| 51 | I | 88.1 | Confident | 85.8 | Confident | 69 Ų | 69 | 48.5 Ų | 48.5 | 35% | 0.354 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.9 | -68.7 | 164.4 | 0 | 0 | 0 | 110.5 | L47 W48 L54 R55 | L47-I51 WeakPolarHBondContact O-CB 3.01Å; L47-I51 VanDerWaalsContact O-CG1 3.23Å; L47-I51 WeakPolarHBondContact O-CG1 3.46Å; L47-I51 PolarHBondContact O-N 3.36Å; W48-I51 PolarHBondContact O-N 2.71Å; I51-L54 PolarHBondContact O-N 2.72Å; I51-R55 HydrophobicContact CG2-CG 4.42Å; I51-R55 WeakPolarHBondContact O-CB 3.41Å; I51-R55 WeakPolarHBondContact O-CG 3.49Å; I51-R55 PolarHBondContact O-N 3.44Å |
| 52 | Q | 87.4 | Confident | 84.2 | Confident | 41 Ų | 41 | 51.1 Ų | 51.1 | 19% | 0.192 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 175.8 | -75.8 | -162.2 | 16 | 0 | 0 | 112 | W48 W49 W50 L54 R55 Q56 | W48-Q52 WeakPolarHBondContact O-CG 3.37Å; W48-Q52 PolarHBondContact O-N 2.99Å; W49-Q52 PolarHBondContact O-N 3.23Å; W50-Q52 VanDerWaalsContact C-N 3.34Å; W50-Q52 PolarHBondContact O-N 3.42Å; Q52-L54 VanDerWaalsContact C-N 3.33Å; Q52-L54 PolarHBondContact O-N 3.23Å; Q52-R55 PolarHBondContact O-N 3.44Å; Q52-Q56 WeakPolarHBondContact O-CG 3.34Å; Q52-Q56 PolarHBondContact O-N 3.46Å |
| 53 | A | 85.4 | Confident | 82.4 | Confident | 15 Ų | 15 | 55.5 Ų | 55.5 | 12% | 0.124 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | W49 W50 R57 I229 | W49-A53 WeakPolarHBondContact O-CB 3.45Å; W49-A53 PolarHBondContact O-N 3.48Å; W50-A53 PolarHBondContact O-N 3.37Å; A53-R57 PolarHBondContact O-N 2.99Å; A53-I229 HydrophobicContact CB-CG2 3.37Å |
| 54 | L | 84.9 | Confident | 80.4 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 176.6 | -67.4 | 177.3 | 0 | 0 | 0 | 111.4 | W50 I51 Q52 Q56 R57 Y58 L288 V291 | W50-L54 HydrophobicContact CD2-CD1 4.36Å; W50-L54 HydrophobicContact CD2-CG 4.36Å; W50-L54 HydrophobicContact CH2-CD2 4Å; W50-L54 HydrophobicContact CH2-CG 4.48Å; W50-L54 HydrophobicContact CZ2-CD1 4.08Å; W50-L54 HydrophobicContact CZ2-CD2 3.86Å; W50-L54 HydrophobicContact CZ2-CG 4.15Å; W50-L54 WeakPolarHBondContact O-CG 3.26Å; W50-L54 PolarHBondContact O-N 3.35Å; I51-L54 PolarHBondContact O-N 2.72Å; Q52-L54 VanDerWaalsContact C-N 3.33Å; Q52-L54 PolarHBondContact O-N 3.23Å; L54-Q56 PolarHBondContact O-N 3.35Å; L54-R57 PolarHBondContact O-N 3.1Å; L54-Y58 HydrophobicContact CB-CD2 4.49Å; L54-Y58 HydrophobicContact CB-CE2 4.47Å; L54-Y58 HydrophobicContact CD2-CE2 4.2Å; L54-Y58 WeakPolarHBondContact O-CD2 3.26Å; L54-Y58 PolarHBondContact O-N 3Å; L54-L288 HydrophobicContact CD2-CD1 4.49Å; L54-L288 HydrophobicContact CD2-CG 4.4Å; L54-V291 HydrophobicContact CB-CG1 4.22Å; L54-V291 HydrophobicContact CD1-CB 4.17Å; L54-V291 HydrophobicContact CD1-CG1 4.38Å; L54-V291 HydrophobicContact CD1-CG2 3.9Å |
| 55 | R | 82.7 | Confident | 78.4 | Confident | 150 Ų | 150 | 57.5 Ų | 57.5 | 57% | 0.566 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.1 | -46.5 | 177.9 | -77 | 178.7 | -178.7 | -172.3 | 2.1 | 112.2 | I51 Q52 R57 Y58 S59 | I51-R55 HydrophobicContact CG2-CG 4.42Å; I51-R55 WeakPolarHBondContact O-CB 3.41Å; I51-R55 WeakPolarHBondContact O-CG 3.49Å; I51-R55 PolarHBondContact O-N 3.44Å; Q52-R55 PolarHBondContact O-N 3.44Å; R55-R57 VanDerWaalsContact C-N 3.28Å; R55-R57 PolarHBondContact O-N 3.1Å; R55-Y58 PolarHBondContact O-N 3.42Å; R55-S59 VanDerWaalsContact O-CB 3.31Å; R55-S59 WeakPolarHBondContact O-CB 3.32Å; R55-S59 PolarHBondContact O-N 3.11Å; R55-S59 PolarHBondContact O-OG 2.98Å |
| 56 | Q | 79.5 | Confident | 76.4 | Confident | 118 Ų | 118 | 61 Ų | 61 | 55% | 0.551 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.5 | -38.2 | 178.9 | -73.3 | 176.9 | -3 | 0 | 0 | 112.1 | Q52 L54 S59 S60 | Q52-Q56 WeakPolarHBondContact O-CG 3.34Å; Q52-Q56 PolarHBondContact O-N 3.46Å; L54-Q56 PolarHBondContact O-N 3.35Å; Q56-S59 PolarHBondContact O-OG 3Å; Q56-S60 PolarHBondContact O-N 3.47Å; Q56-S60 PolarHBondContact O-OG 3.5Å |
| 57 | R | 77.2 | Confident | 74.6 | Confident | 54 Ų | 54 | 66.2 Ų | 66.2 | 20% | 0.204 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68 | -49.2 | 178.4 | -170 | 173.5 | -166 | -155.7 | 7.7 | 112.1 | A53 L54 R55 S61 W301 | A53-R57 PolarHBondContact O-N 2.99Å; L54-R57 PolarHBondContact O-N 3.1Å; R55-R57 VanDerWaalsContact C-N 3.28Å; R55-R57 PolarHBondContact O-N 3.1Å; R57-S61 PolarHBondContact O-N 3.34Å; R57-W301 VanDerWaalsContact NH2-CZ3 3.31Å |
| 58 | Y | 75.8 | Confident | 72.6 | Confident | 3 Ų | 3 | 70.3 Ų | 70.3 | 1% | 0.012 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -80 | -26.2 | -174.8 | -66.8 | -66 | 0 | 0 | 0 | 113.7 | L54 R55 S60 S61 S62 V291 A292 Y295 V297 W301 | L54-Y58 HydrophobicContact CB-CD2 4.49Å; L54-Y58 HydrophobicContact CB-CE2 4.47Å; L54-Y58 HydrophobicContact CD2-CE2 4.2Å; L54-Y58 WeakPolarHBondContact O-CD2 3.26Å; L54-Y58 PolarHBondContact O-N 3Å; R55-Y58 PolarHBondContact O-N 3.42Å; Y58-S60 VanDerWaalsContact C-N 3.31Å; Y58-S61 WeakPolarHBondContact CA-OG 3.39Å; Y58-S61 PolarHBondContact O-N 3.33Å; Y58-S61 PolarHBondContact O-OG 3.03Å; Y58-S62 PolarHBondContact O-N 2.86Å; Y58-V291 HydrophobicContact CD2-CG1 3.59Å; Y58-V291 HydrophobicContact CE2-CB 4.26Å; Y58-V291 HydrophobicContact CE2-CG1 3.49Å; Y58-V291 VanDerWaalsContact CE2-CG1 3.49Å; Y58-A292 HydrophobicContact CE1-CB 4.48Å; Y58-A292 WeakPolarHBondContact OH-CA 3.34Å; Y58-A292 VanDerWaalsContact OH-CB 3.24Å; Y58-A292 WeakPolarHBondContact OH-CB 3.33Å; Y58-Y295 HydrophobicContact CD1-CD2 4.41Å; Y58-Y295 HydrophobicContact CD1-CG 4.24Å; Y58-Y295 AromaticContact CD2-CD2 3.75Å; Y58-Y295 HydrophobicContact CD2-CD2 3.75Å; Y58-Y295 HydrophobicContact CD2-CE2 4.11Å; Y58-Y295 HydrophobicContact CD2-CG 4.34Å; Y58-Y295 HydrophobicContact CG-CD1 4.44Å; Y58-Y295 AromaticContact CG-CD2 3.69Å; Y58-Y295 HydrophobicContact CG-CD2 3.69Å; Y58-Y295 HydrophobicContact CG-CE2 4.24Å; Y58-Y295 AromaticContact CG-CG 3.81Å; Y58-Y295 HydrophobicContact CG-CG 3.81Å; Y58-V297 HydrophobicContact CD1-CG2 3.53Å; Y58-V297 HydrophobicContact CE1-CB 4.17Å; Y58-V297 HydrophobicContact CE1-CG2 3.47Å; Y58-V297 VanDerWaalsContact CE1-CG2 3.47Å; Y58-W301 HydrophobicContact CE1-CH2 4.33Å |
| 59 | S | 73.2 | Confident | 70.8 | Confident | 64 Ų | 64 | 73.5 Ų | 73.5 | 45% | 0.448 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 171.2 | 70.8 | 0 | 0 | 0 | 0 | 111 | R55 Q56 S61 S62 T63 | R55-S59 VanDerWaalsContact O-CB 3.31Å; R55-S59 WeakPolarHBondContact O-CB 3.32Å; R55-S59 PolarHBondContact O-N 3.11Å; R55-S59 PolarHBondContact O-OG 2.98Å; Q56-S59 PolarHBondContact O-OG 3Å; S59-S61 VanDerWaalsContact C-N 3.3Å; S59-S61 PolarHBondContact O-N 3.29Å; S59-S62 PolarHBondContact O-N 2.99Å; S59-T63 PolarHBondContact O-N 3.27Å; S59-T63 PolarHBondContact O-OG1 2.97Å; S59-T63 VanDerWaalsContact O-OG1 3.04Å |
| 60 | S | 66.9 | Low | 69 | Low | 78 Ų | 78 | 79.2 Ų | 79.2 | 55% | 0.545 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.9 | -34.1 | 179.8 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | Q56 Y58 S64 | Q56-S60 PolarHBondContact O-N 3.47Å; Q56-S60 PolarHBondContact O-OG 3.5Å; Y58-S60 VanDerWaalsContact C-N 3.31Å; S60-S64 PolarHBondContact O-N 3.4Å |
| 61 | S | 62.3 | Low | 67.4 | Low | 54 Ų | 54 | 86.2 Ų | 86.2 | 38% | 0.378 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72.2 | -32.9 | 175.9 | 53.3 | 0 | 0 | 0 | 0 | 113.3 | R57 Y58 S59 S65 | R57-S61 PolarHBondContact O-N 3.34Å; Y58-S61 WeakPolarHBondContact CA-OG 3.39Å; Y58-S61 PolarHBondContact O-N 3.33Å; Y58-S61 PolarHBondContact O-OG 3.03Å; S59-S61 VanDerWaalsContact C-N 3.3Å; S59-S61 PolarHBondContact O-N 3.29Å; S61-S65 PolarHBondContact O-OG 3.04Å |
| 62 | S | 61.5 | Low | 65.8 | Low | 84 Ų | 84 | 91 Ų | 91 | 59% | 0.587 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.7 | -41.4 | 179.9 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | Y58 S59 S64 S65 | Y58-S62 PolarHBondContact O-N 2.86Å; S59-S62 PolarHBondContact O-N 2.99Å; S62-S64 PolarHBondContact O-N 3.49Å; S62-S65 PolarHBondContact O-N 2.99Å |
| 63 | T | 58.2 | Low | 64.2 | Low | 96 Ų | 96 | 97.3 Ų | 97.3 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.8 | -34.7 | -179.6 | -25.7 | 0 | 0 | 0 | 0 | 112.2 | S59 S65 S66 | S59-T63 PolarHBondContact O-N 3.27Å; S59-T63 PolarHBondContact O-OG1 2.97Å; S59-T63 VanDerWaalsContact O-OG1 3.04Å; T63-S65 VanDerWaalsContact C-N 3.29Å; T63-S65 PolarHBondContact O-N 2.8Å; T63-S66 PolarHBondContact O-N 3.41Å |
| 64 | S | 53.8 | Low | 62.7 | Low | 75 Ų | 75 | 105.3 Ų | 105.3 | 52% | 0.524 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.3 | -22.1 | -179.6 | -170.8 | 0 | 0 | 0 | 0 | 114 | S60 S62 | S60-S64 PolarHBondContact O-N 3.4Å; S62-S64 PolarHBondContact O-N 3.49Å |
| 65 | S | 53.5 | Low | 61.1 | Low | 91 Ų | 91 | 113.3 Ų | 113.3 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -84 | -29.7 | 179.5 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | S61 S62 T63 | S61-S65 PolarHBondContact O-OG 3.04Å; S62-S65 PolarHBondContact O-N 2.99Å; T63-S65 VanDerWaalsContact C-N 3.29Å; T63-S65 PolarHBondContact O-N 2.8Å |
| 66 | S | 52.7 | Low | 59.8 | Low | 93 Ų | 93 | 112.6 Ų | 112.6 | 65% | 0.65 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71.7 | -32.5 | -178.9 | -168.6 | 0 | 0 | 0 | 0 | 113.2 | T63 K68 | T63-S66 PolarHBondContact O-N 3.41Å; S66-K68 VanDerWaalsContact C-N 3.3Å; S66-K68 PolarHBondContact O-N 3.37Å |
| 67 | V | 55.1 | Low | 58.6 | Low | 110 Ų | 110 | 115.3 Ų | 115.3 | 67% | 0.667 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -71.7 | -21.3 | -176.6 | 177.5 | 0 | 0 | 0 | 0 | 113.2 | H69 | V67-H69 PolarHBondContact O-N 3.47Š|
| 68 | K | 52.3 | Low | 57.6 | Low | 149 Ų | 149 | 117.5 Ų | 117.5 | 65% | 0.648 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -85.9 | -0.2 | -174.3 | -76.6 | -173.4 | 178.8 | 174.6 | 0 | 115.6 | S66 | S66-K68 VanDerWaalsContact C-N 3.3Å; S66-K68 PolarHBondContact O-N 3.37Å |
| 69 | H | 53.4 | Low | 56.3 | Low | 168 Ų | 168 | 124.8 Ų | 124.8 | 78% | 0.778 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -105.6 | 5.9 | -174.3 | -137.8 | -60.8 | 0 | 0 | 0 | 115.4 | V67 | V67-H69 PolarHBondContact O-N 3.47Š|
| 70 | N | 54.1 | Low | 55.5 | Low | 146 Ų | 146 | 129.7 Ų | 129.7 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | trans | -113.9 | 10.9 | -176.4 | -94.3 | 9.7 | 0 | 0 | 0 | 116.4 | H72 | N70-H72 PolarHBondContact O-N 3.41Š| ||
| 71 | D | 56.9 | Low | 54.6 | Low | 148 Ų | 148 | 130.4 Ų | 130.4 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | -89.9 | 16.9 | -176.9 | -83.5 | -20 | 0 | 0 | 0 | 115.7 | ||||
| 72 | H | 55.4 | Low | 53.6 | Low | 171 Ų | 171 | 131.5 Ų | 131.5 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -131.1 | 118.4 | 171 | -81.2 | -14.2 | 0 | 0 | 0 | 110.7 | N70 | N70-H72 PolarHBondContact O-N 3.41Š|
| 73 | H | 53.3 | Low | 52.8 | Low | 173 Ų | 173 | 137.4 Ų | 137.4 | 80% | 0.801 | 75% | 0.745 | S | S | * | * | trans | 96.3 | 91 | 179 | -59.9 | -75.5 | 0 | 0 | 0 | 116.3 | ||||
| 74 | H | 53.7 | Low | 51.8 | Low | 183 Ų | 183 | 140.8 Ų | 140.8 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | 179.8 | 115.2 | 102.3 | -108.8 | -78.5 | 0 | 0 | 0 | 111.7 | |||||
| 75 | H | 51 | Low | 51.2 | Low | 171 Ų | 171 | 143 Ų | 143 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -70.4 | 129.3 | 150.6 | -114.2 | -88.1 | 0 | 0 | 0 | 107.6 | ||||
| 76 | D | 55.8 | Low | 50.7 | Low | 136 Ų | 136 | 143.8 Ų | 143.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 139.3 | 121.2 | 136 | -76.9 | -16.7 | 0 | 0 | 0 | 113.9 | ||||
| 77 | H | 55 | Low | 50.2 | Low | 174 Ų | 174 | 145.5 Ų | 145.5 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | 35.3 | 119.4 | 141.7 | -89.1 | -72.1 | 0 | 0 | 0 | 119.7 | ||||
| 78 | S | 55 | Low | 49.3 | Very low | 101 Ų | 101 | 149.6 Ų | 149.6 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | 129.7 | 110.2 | 117.2 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 79 | D | 50.1 | Low | 48.8 | Very low | 156 Ų | 156 | 147 Ų | 147 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | 26.2 | 99.2 | 133.7 | -50.4 | -32 | 0 | 0 | 0 | 116.5 | ||||
| 80 | D | 56.3 | Low | 48.4 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | -170.4 | 156.5 | 121 | -125.7 | -31 | 0 | 0 | 0 | 114.2 | |||||
| 81 | A | 47.1 | Very low | 47.8 | Very low | 93 Ų | 93 | 140.8 Ų | 140.8 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -49 | 129.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 82 | G | 42.5 | Very low | 47 | Very low | 78 Ų | 78 | 139.4 Ų | 139.4 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -156.4 | 51.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 83 | Y | 43.2 | Very low | 46.8 | Very low | 207 Ų | 207 | 140.5 Ų | 140.5 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | -57.4 | 131.4 | 175.5 | -101.5 | -109.9 | 0 | 0 | 0 | 112.6 | ||||
| 84 | H | 38.7 | Very low | 46.9 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | trans | 48.5 | 109 | 151.3 | -67.6 | -53.9 | 0 | 0 | 0 | 120.2 | ||||
| 85 | S | 40.8 | Very low | 47.2 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | trans | 177.2 | 73.4 | 136.6 | 177.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 86 | S | 42.3 | Very low | 48.2 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -146.7 | 1.2 | 164.2 | -133.8 | 0 | 0 | 0 | 0 | 116.8 | ||
| 87 | T | 41.3 | Very low | 49.4 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -103.9 | -1.4 | -174.1 | -24.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 88 | K | 36.4 | Very low | 50.7 | Low | 197 Ų | 197 | 120.3 Ų | 120.3 | 86% | 0.857 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -88.4 | -12.9 | -174.7 | -73.6 | -168.9 | 176.7 | -178 | 0 | 115.6 | ||
| 89 | T | 41.8 | Very low | 52.4 | Low | 95 Ų | 95 | 118.7 Ų | 118.7 | 58% | 0.583 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -79.8 | -29.1 | -177.1 | 39.4 | 0 | 0 | 0 | 0 | 113.8 | L92 | T89-L92 PolarHBondContact O-N 3.47Å |
| 90 | I | 45.5 | Very low | 54.3 | Low | 137 Ų | 137 | 114 Ų | 114 | 70% | 0.703 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.7 | -33.3 | -177.2 | -59.7 | 173.2 | 0 | 0 | 0 | 111.6 | ||
| 91 | G | 41.4 | Very low | 56 | Low | 46 Ų | 46 | 107 Ų | 107 | 47% | 0.474 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.4 | -32.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 92 | L | 40.6 | Very low | 58.2 | Low | 119 Ų | 119 | 102.6 Ų | 102.6 | 62% | 0.623 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.2 | -34.4 | -176.8 | -148 | 79.1 | 0 | 0 | 0 | 112.1 | T89 Q96 | T89-L92 PolarHBondContact O-N 3.47Å; L92-Q96 WeakPolarHBondContact O-CB 3.05Å; L92-Q96 PolarHBondContact O-N 3.32Å |
| 93 | W | 51.2 | Low | 60.6 | Low | 194 Ų | 194 | 102.7 Ų | 102.7 | 74% | 0.735 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -72.2 | -32.2 | -176.8 | -76.6 | 35.9 | 0 | 0 | 0 | 112.8 | S97 | W93-S97 WeakPolarHBondContact O-CB 3.49Å; W93-S97 PolarHBondContact O-N 2.43Å; W93-S97 VanDerWaalsContact O-N 3.1Å; W93-S97 PolarHBondContact O-OG 3.33Å |
| 94 | C | 54.8 | Low | 63 | Low | 67 Ų | 67 | 96 Ų | 96 | 45% | 0.453 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -73.1 | -38.5 | 177.4 | -166.5 | 0 | 0 | 0 | 0 | 111.9 | S97 R98 | C94-S97 PolarHBondContact O-OG 3.49Å; C94-R98 PolarHBondContact O-N 3Å |
| 95 | C | 59.6 | Low | 65.7 | Low | 72 Ų | 72 | 88.5 Ų | 88.5 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.2 | -40.6 | 175.5 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | S97 R98 L99 | C95-S97 PolarHBondContact O-N 3.42Å; C95-R98 PolarHBondContact O-N 3.43Å; C95-L99 PolarHBondContact O-N 3.12Å; C95-L99 VanDerWaalsContact O-N 3.12Å |
| 96 | Q | 73.4 | Confident | 68.4 | Low | 127 Ų | 127 | 84.3 Ų | 84.3 | 59% | 0.593 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.9 | -36 | 179.6 | -170.5 | 174.8 | 0.2 | 0 | 0 | 112.3 | L92 C100 | L92-Q96 WeakPolarHBondContact O-CB 3.05Å; L92-Q96 PolarHBondContact O-N 3.32Å; Q96-C100 VanDerWaalsContact O-CB 3.26Å; Q96-C100 WeakPolarHBondContact O-CB 2.95Å; Q96-C100 PolarHBondContact O-N 2.73Å |
| 97 | S | 80.7 | Confident | 70.9 | Confident | 36 Ų | 36 | 82.6 Ų | 82.6 | 25% | 0.252 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 177.2 | 66.5 | 0 | 0 | 0 | 0 | 112.1 | W93 C94 C95 E101 | W93-S97 WeakPolarHBondContact O-CB 3.49Å; W93-S97 PolarHBondContact O-N 2.43Å; W93-S97 VanDerWaalsContact O-N 3.1Å; W93-S97 PolarHBondContact O-OG 3.33Å; C94-S97 PolarHBondContact O-OG 3.49Å; C95-S97 PolarHBondContact O-N 3.42Å; S97-E101 VanDerWaalsContact O-CB 3.29Å; S97-E101 WeakPolarHBondContact O-CB 3.43Å; S97-E101 PolarHBondContact O-N 3.48Å |
| 98 | R | 82.6 | Confident | 73.5 | Confident | 110 Ų | 110 | 78.9 Ų | 78.9 | 42% | 0.415 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 178 | -72.3 | -175.7 | 176.4 | -158 | -4.7 | 112.6 | C94 C95 E101 G102 | C94-R98 PolarHBondContact O-N 3Å; C95-R98 PolarHBondContact O-N 3.43Å; R98-E101 PolarHBondContact O-N 3.46Å; R98-G102 PolarHBondContact O-N 3.35Å |
| 99 | L | 89.6 | Confident | 76.4 | Confident | 68 Ų | 68 | 69.7 Ų | 69.7 | 36% | 0.356 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 177.1 | -174.7 | 148.3 | 0 | 0 | 0 | 111.2 | C95 E101 G102 I103 | C95-L99 PolarHBondContact O-N 3.12Å; C95-L99 VanDerWaalsContact O-N 3.12Å; L99-E101 PolarHBondContact O-N 2.86Å; L99-G102 PolarHBondContact O-N 3.4Å; L99-I103 HydrophobicContact CD2-CD1 3.43Å; L99-I103 VanDerWaalsContact CD2-CD1 3.43Å; L99-I103 HydrophobicContact CD2-CG1 4.28Å; L99-I103 HydrophobicContact CG-CD1 4.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.36Å; L99-I103 PolarHBondContact O-N 3.28Å |
| 100 | C | 91.1 | Very high | 79 | Confident | 58 Ų | 58 | 70.1 Ų | 70.1 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.6 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | Q96 G102 I103 C104 | Q96-C100 VanDerWaalsContact O-CB 3.26Å; Q96-C100 WeakPolarHBondContact O-CB 2.95Å; Q96-C100 PolarHBondContact O-N 2.73Å; C100-G102 PolarHBondContact O-N 3.39Å; C100-I103 PolarHBondContact O-N 3.1Å; C100-C104 WeakPolarHBondContact O-CB 3.28Å; C100-C104 PolarHBondContact O-N 3Å; C100-C104 PolarHBondContact O-SG 3.34Å |
| 101 | E | 91.6 | Very high | 81.4 | Confident | 18 Ų | 18 | 67.4 Ų | 67.4 | 8% | 0.084 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 176.3 | -178.9 | 169.9 | 161.6 | 0 | 0 | 112 | W48 W49 S97 R98 L99 C104 K105 | W48-E101 PolarHBondContact NE1-OE2 3.33Å; W48-E101 VanDerWaalsContact NE1-OE2 3.1Å; W49-E101 PolarHBondContact NE1-OE1 2.95Å; S97-E101 VanDerWaalsContact O-CB 3.29Å; S97-E101 WeakPolarHBondContact O-CB 3.43Å; S97-E101 PolarHBondContact O-N 3.48Å; R98-E101 PolarHBondContact O-N 3.46Å; L99-E101 PolarHBondContact O-N 2.86Å; E101-C104 PolarHBondContact O-N 3.23Å; E101-K105 HydrophobicContact CG-CD 4.2Å; E101-K105 VanDerWaalsContact O-CG 3.26Å; E101-K105 WeakPolarHBondContact O-CG 3.38Å; E101-K105 PolarHBondContact O-N 3.44Å; E101-K105 VanDerWaalsContact OE1-CE 3.28Å; E101-K105 WeakPolarHBondContact OE1-CE 3.47Å; E101-K105 IonicContact OE1-NZ 4Å; E101-K105 PolarHBondContact OE1-NZ 3.05Å |
| 102 | G | 92.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R98 L99 C100 K105 I106 D144 | R98-G102 PolarHBondContact O-N 3.35Å; L99-G102 PolarHBondContact O-N 3.4Å; C100-G102 PolarHBondContact O-N 3.39Å; G102-K105 PolarHBondContact O-N 3.49Å; G102-I106 WeakPolarHBondContact O-CG1 3.28Å; G102-I106 PolarHBondContact O-N 3.11Å; G102-D144 VanDerWaalsContact CA-CB 3.47Å |
| 103 | I | 94.2 | Very high | 86.5 | Confident | 80 Ų | 80 | 61.9 Ų | 61.9 | 41% | 0.41 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 176.4 | -67.6 | 177 | 0 | 0 | 0 | 110.7 | L99 C100 K105 I106 V107 I145 | L99-I103 HydrophobicContact CD2-CD1 3.43Å; L99-I103 VanDerWaalsContact CD2-CD1 3.43Å; L99-I103 HydrophobicContact CD2-CG1 4.28Å; L99-I103 HydrophobicContact CG-CD1 4.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.36Å; L99-I103 PolarHBondContact O-N 3.28Å; C100-I103 PolarHBondContact O-N 3.1Å; I103-K105 VanDerWaalsContact C-N 3.31Å; I103-K105 PolarHBondContact O-N 3Å; I103-I106 PolarHBondContact O-N 3.31Å; I103-V107 HydrophobicContact CG2-CG2 4.21Å; I103-V107 WeakPolarHBondContact O-CG2 3.47Å; I103-V107 PolarHBondContact O-N 3.38Å; I103-I145 HydrophobicContact CG1-CD1 4.07Å; I103-I145 HydrophobicContact CG1-CG1 4.48Å |
| 104 | C | 94.1 | Very high | 88.6 | Confident | 68 Ų | 68 | 56.6 Ų | 56.6 | 46% | 0.459 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.3 | -43.6 | 177.7 | -75.2 | 0 | 0 | 0 | 0 | 111.6 | C100 E101 V107 C108 | C100-C104 WeakPolarHBondContact O-CB 3.28Å; C100-C104 PolarHBondContact O-N 3Å; C100-C104 PolarHBondContact O-SG 3.34Å; E101-C104 PolarHBondContact O-N 3.23Å; C104-V107 PolarHBondContact O-N 3.49Å; C104-C108 WeakPolarHBondContact O-CB 3.45Å; C104-C108 PolarHBondContact O-N 3.31Å; C104-C108 PolarHBondContact O-SG 3.12Å |
| 105 | K | 95.2 | Very high | 90.5 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 4% | 0.039 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 176.4 | -72.3 | 170.4 | 178.8 | 166.5 | 0 | 111.8 | E101 G102 I103 C108 C109 M137 D144 Y162 | E101-K105 HydrophobicContact CG-CD 4.2Å; E101-K105 VanDerWaalsContact O-CG 3.26Å; E101-K105 WeakPolarHBondContact O-CG 3.38Å; E101-K105 PolarHBondContact O-N 3.44Å; E101-K105 VanDerWaalsContact OE1-CE 3.28Å; E101-K105 WeakPolarHBondContact OE1-CE 3.47Å; E101-K105 IonicContact OE1-NZ 4Å; E101-K105 PolarHBondContact OE1-NZ 3.05Å; G102-K105 PolarHBondContact O-N 3.49Å; I103-K105 VanDerWaalsContact C-N 3.31Å; I103-K105 PolarHBondContact O-N 3Å; K105-C108 PolarHBondContact O-N 3.29Å; K105-C109 WeakPolarHBondContact O-CB 3.28Å; K105-C109 PolarHBondContact O-N 3.05Å; K105-C109 PolarHBondContact O-SG 3.12Å; K105-M137 HydrophobicContact CB-CE 4.19Å; K105-M137 HydrophobicContact CD-CE 3.58Å; K105-M137 HydrophobicContact CG-CE 3.54Å; K105-D144 VanDerWaalsContact CD-OD2 3.27Å; K105-D144 WeakPolarHBondContact CD-OD2 3.31Å; K105-D144 WeakPolarHBondContact CE-OD2 3.46Å; K105-D144 IonicContact NZ-OD1 2.73Å; K105-D144 IonicContact NZ-OD2 2.72Å; K105-D144 PolarHBondContact NZ-OD2 3.02Å; K105-Y162 VanDerWaalsContact NZ-CE1 3.26Å |
| 106 | I | 95.7 | Very high | 92.1 | Very high | 34 Ų | 34 | 50.8 Ų | 50.8 | 17% | 0.174 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 179.6 | -66.4 | 176.9 | 0 | 0 | 0 | 111 | G102 I103 C108 C109 L110 L142 I145 | G102-I106 WeakPolarHBondContact O-CG1 3.28Å; G102-I106 PolarHBondContact O-N 3.11Å; I103-I106 PolarHBondContact O-N 3.31Å; I106-C108 PolarHBondContact O-N 3.49Å; I106-C109 PolarHBondContact O-N 2.85Å; I106-C109 VanDerWaalsContact O-N 3.14Å; I106-L110 HydrophobicContact CG2-CD1 4.21Å; I106-L110 HydrophobicContact CG2-CG 4.45Å; I106-L110 WeakPolarHBondContact O-CG 3.44Å; I106-L110 PolarHBondContact O-N 3.41Å; I106-L142 HydrophobicContact CD1-CD2 3.8Å; I106-L142 HydrophobicContact CD1-CG 4.14Å; I106-I145 HydrophobicContact CD1-CD1 3.46Å; I106-I145 VanDerWaalsContact CD1-CD1 3.46Å |
| 107 | V | 96.3 | Very high | 93.1 | Very high | 71 Ų | 71 | 49 Ų | 49 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 178.8 | 172.6 | 0 | 0 | 0 | 0 | 111 | I103 C104 C109 L110 I111 | I103-V107 HydrophobicContact CG2-CG2 4.21Å; I103-V107 WeakPolarHBondContact O-CG2 3.47Å; I103-V107 PolarHBondContact O-N 3.38Å; C104-V107 PolarHBondContact O-N 3.49Å; V107-C109 VanDerWaalsContact C-N 3.32Å; V107-C109 PolarHBondContact O-N 3.35Å; V107-L110 PolarHBondContact O-N 3.38Å; V107-I111 HydrophobicContact CG1-CD1 3.93Å; V107-I111 WeakPolarHBondContact O-CG1 3.44Å; V107-I111 PolarHBondContact O-N 3.21Å |
| 108 | C | 95.8 | Very high | 93.6 | Very high | 51 Ų | 51 | 51.2 Ų | 51.2 | 35% | 0.345 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 174 | -72.1 | 0 | 0 | 0 | 0 | 112.1 | Y37 C104 K105 I106 G112 | Y37-C108 WeakPolarHBondContact OH-CA 3.45Å; Y37-C108 PolarHBondContact OH-O 3.17Å; C104-C108 WeakPolarHBondContact O-CB 3.45Å; C104-C108 PolarHBondContact O-N 3.31Å; C104-C108 PolarHBondContact O-SG 3.12Å; K105-C108 PolarHBondContact O-N 3.29Å; I106-C108 PolarHBondContact O-N 3.49Å; C108-G112 PolarHBondContact O-N 3.28Å |
| 109 | C | 96.2 | Very high | 94 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 176.3 | -67.3 | 0 | 0 | 0 | 0 | 112.3 | K105 I106 V107 G112 I113 Y134 M137 T138 | K105-C109 WeakPolarHBondContact O-CB 3.28Å; K105-C109 PolarHBondContact O-N 3.05Å; K105-C109 PolarHBondContact O-SG 3.12Å; I106-C109 PolarHBondContact O-N 2.85Å; I106-C109 VanDerWaalsContact O-N 3.14Å; V107-C109 VanDerWaalsContact C-N 3.32Å; V107-C109 PolarHBondContact O-N 3.35Å; C109-G112 PolarHBondContact O-N 3.46Å; C109-I113 VanDerWaalsContact O-CG1 3.29Å; C109-I113 WeakPolarHBondContact O-CG1 3.42Å; C109-I113 PolarHBondContact O-N 3.45Å; C109-Y134 HydrophobicContact CB-CD1 4.29Å; C109-M137 VanDerWaalsContact SG-CB 3.56Å; C109-M137 VanDerWaalsContact SG-CG 3.53Å; C109-T138 VanDerWaalsContact CB-OG1 3.28Å; C109-T138 WeakPolarHBondContact CB-OG1 3.34Å |
| 110 | L | 96.2 | Very high | 94 | Very high | 104 Ų | 104 | 43.9 Ų | 43.9 | 55% | 0.545 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.6 | -46.5 | 176.3 | -71.1 | 174.3 | 0 | 0 | 0 | 111.6 | I106 V107 G112 I113 V114 | I106-L110 HydrophobicContact CG2-CD1 4.21Å; I106-L110 HydrophobicContact CG2-CG 4.45Å; I106-L110 WeakPolarHBondContact O-CG 3.44Å; I106-L110 PolarHBondContact O-N 3.41Å; V107-L110 PolarHBondContact O-N 3.38Å; L110-G112 VanDerWaalsContact C-N 3.29Å; L110-G112 PolarHBondContact O-N 3.48Å; L110-I113 PolarHBondContact O-N 3.37Å; L110-V114 WeakPolarHBondContact O-CG2 3.36Å; L110-V114 PolarHBondContact O-N 3.12Å |
| 111 | I | 96.4 | Very high | 94 | Very high | 81 Ų | 81 | 50.1 Ų | 50.1 | 42% | 0.415 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.2 | -63.6 | 165.2 | 0 | 0 | 0 | 110 | Y37 V107 I113 V114 V115 | Y37-I111 HydrophobicContact CD2-CG2 4.32Å; Y37-I111 HydrophobicContact CE1-CG2 4.45Å; Y37-I111 HydrophobicContact CE2-CB 4.26Å; Y37-I111 HydrophobicContact CE2-CG2 3.43Å; Y37-I111 VanDerWaalsContact CE2-CG2 3.43Å; Y37-I111 VanDerWaalsContact OH-CB 3.31Å; Y37-I111 WeakPolarHBondContact OH-CB 3.33Å; Y37-I111 WeakPolarHBondContact OH-CG2 3.26Å; V107-I111 HydrophobicContact CG1-CD1 3.93Å; V107-I111 WeakPolarHBondContact O-CG1 3.44Å; V107-I111 PolarHBondContact O-N 3.21Å; I111-I113 PolarHBondContact O-N 3.38Å; I111-V114 PolarHBondContact O-N 3.34Å; I111-V115 HydrophobicContact CG2-CG2 4.37Å; I111-V115 WeakPolarHBondContact O-CG2 3.27Å; I111-V115 PolarHBondContact O-N 3.32Å |
| 112 | G | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.8 | -47.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y37 C108 C109 L110 V114 V115 E116 | Y37-G112 VanDerWaalsContact CE1-N 3.35Å; C108-G112 PolarHBondContact O-N 3.28Å; C109-G112 PolarHBondContact O-N 3.46Å; L110-G112 VanDerWaalsContact C-N 3.29Å; L110-G112 PolarHBondContact O-N 3.48Å; G112-V114 VanDerWaalsContact C-N 3.3Å; G112-V114 PolarHBondContact O-N 3.17Å; G112-V115 PolarHBondContact O-N 3.13Å; G112-E116 WeakPolarHBondContact O-CB 3.36Å; G112-E116 WeakPolarHBondContact O-CG 3.46Å; G112-E116 PolarHBondContact O-N 3.27Å |
| 113 | I | 95 | Very high | 93.1 | Very high | 49 Ų | 49 | 55.6 Ų | 55.6 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60 | -41 | 175.3 | -68.2 | 163.8 | 0 | 0 | 0 | 111 | C109 L110 I111 E116 L117 F131 Y134 | C109-I113 VanDerWaalsContact O-CG1 3.29Å; C109-I113 WeakPolarHBondContact O-CG1 3.42Å; C109-I113 PolarHBondContact O-N 3.45Å; L110-I113 PolarHBondContact O-N 3.37Å; I111-I113 PolarHBondContact O-N 3.38Å; I113-E116 WeakPolarHBondContact O-CB 3.3Å; I113-E116 PolarHBondContact O-N 3.48Å; I113-L117 HydrophobicContact CG2-CD1 4.07Å; I113-L117 HydrophobicContact CG2-CG 4.5Å; I113-L117 VanDerWaalsContact O-CG 3.25Å; I113-L117 WeakPolarHBondContact O-CG 3.29Å; I113-L117 PolarHBondContact O-N 3.27Å; I113-F131 HydrophobicContact CG2-CD1 4.49Å; I113-F131 HydrophobicContact CG2-CE1 4.17Å; I113-Y134 HydrophobicContact CG1-CD2 4.37Å; I113-Y134 HydrophobicContact CG1-CG 4.23Å |
| 114 | V | 95.5 | Very high | 92.6 | Very high | 82 Ų | 82 | 52.4 Ų | 52.4 | 50% | 0.497 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | L110 I111 G112 E116 L117 I118 | L110-V114 WeakPolarHBondContact O-CG2 3.36Å; L110-V114 PolarHBondContact O-N 3.12Å; I111-V114 PolarHBondContact O-N 3.34Å; G112-V114 VanDerWaalsContact C-N 3.3Å; G112-V114 PolarHBondContact O-N 3.17Å; V114-E116 VanDerWaalsContact C-N 3.34Å; V114-E116 PolarHBondContact O-N 2.91Å; V114-L117 PolarHBondContact O-N 3.44Å; V114-I118 HydrophobicContact CG1-CD1 3.98Å; V114-I118 VanDerWaalsContact O-CG1 3.31Å; V114-I118 WeakPolarHBondContact O-CG1 3.39Å; V114-I118 PolarHBondContact O-N 3.15Å |
| 115 | V | 94.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 11% | 0.109 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 175.5 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | L33 Y37 I111 G112 L117 I118 T119 | L33-V115 HydrophobicContact CD2-CG1 4.1Å; L33-V115 HydrophobicContact CG-CG1 3.91Å; Y37-V115 HydrophobicContact CD1-CG2 4.5Å; Y37-V115 HydrophobicContact CD2-CG2 4.2Å; Y37-V115 HydrophobicContact CG-CB 4.48Å; Y37-V115 HydrophobicContact CG-CG1 4.47Å; Y37-V115 HydrophobicContact CG-CG2 4.1Å; I111-V115 HydrophobicContact CG2-CG2 4.37Å; I111-V115 WeakPolarHBondContact O-CG2 3.27Å; I111-V115 PolarHBondContact O-N 3.32Å; G112-V115 PolarHBondContact O-N 3.13Å; V115-L117 PolarHBondContact O-N 3.18Å; V115-I118 WeakPolarHBondContact O-CB 3.34Å; V115-I118 PolarHBondContact O-N 2.72Å; V115-I118 VanDerWaalsContact O-N 3.16Å; V115-T119 WeakPolarHBondContact O-CG2 3.44Å; V115-T119 PolarHBondContact O-N 3.22Å |
| 116 | E | 93.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.8 | -48.4 | 175.4 | -71.3 | -70.6 | 138.8 | 0 | 0 | 111.8 | S34 G112 I113 V114 I118 T119 L120 R124 A129 Q130 F131 Y134 | S34-E116 WeakPolarHBondContact CB-OE1 3.42Å; S34-E116 PolarHBondContact OG-OE1 2.89Å; G112-E116 WeakPolarHBondContact O-CB 3.36Å; G112-E116 WeakPolarHBondContact O-CG 3.46Å; G112-E116 PolarHBondContact O-N 3.27Å; I113-E116 WeakPolarHBondContact O-CB 3.3Å; I113-E116 PolarHBondContact O-N 3.48Å; V114-E116 VanDerWaalsContact C-N 3.34Å; V114-E116 PolarHBondContact O-N 2.91Å; E116-I118 VanDerWaalsContact C-N 3.3Å; E116-I118 PolarHBondContact O-N 3.32Å; E116-T119 WeakPolarHBondContact CA-OG1 3.28Å; E116-T119 PolarHBondContact O-N 3.41Å; E116-T119 VanDerWaalsContact O-N 3.08Å; E116-T119 PolarHBondContact O-OG1 3.22Å; E116-L120 WeakPolarHBondContact O-CG 3.06Å; E116-L120 PolarHBondContact O-N 2.94Å; E116-R124 IonicContact OE1-NH2 2.91Å; E116-R124 PolarHBondContact OE1-NH2 3.43Å; E116-R124 VanDerWaalsContact OE1-NH2 3.07Å; E116-R124 IonicContact OE2-CZ 2.57Å; E116-R124 IonicContact OE2-NH2 3.07Å; E116-R124 PolarHBondContact OE2-NH2 3.21Å; E116-A129 VanDerWaalsContact OE2-CA 3.25Å; E116-A129 WeakPolarHBondContact OE2-CA 3.45Å; E116-Q130 PolarHBondContact OE2-N 3.4Å; E116-F131 HydrophobicContact CB-CD1 4.36Å; E116-F131 HydrophobicContact CB-CE1 3.66Å; E116-F131 HydrophobicContact CB-CZ 4.06Å; E116-F131 HydrophobicContact CG-CE1 4.45Å; E116-Y134 HydrophobicContact CG-CD2 4.09Å; E116-Y134 HydrophobicContact CG-CE2 3.51Å |
| 117 | L | 93.8 | Very high | 91.3 | Very high | 89 Ų | 89 | 65.4 Ų | 65.4 | 47% | 0.466 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.4 | -36.3 | 176.7 | -70.7 | 169 | 0 | 0 | 0 | 112.8 | I113 V114 V115 L120 K121 F131 | I113-L117 HydrophobicContact CG2-CD1 4.07Å; I113-L117 HydrophobicContact CG2-CG 4.5Å; I113-L117 VanDerWaalsContact O-CG 3.25Å; I113-L117 WeakPolarHBondContact O-CG 3.29Å; I113-L117 PolarHBondContact O-N 3.27Å; V114-L117 PolarHBondContact O-N 3.44Å; V115-L117 PolarHBondContact O-N 3.18Å; L117-L120 HydrophobicContact CD2-CD1 4.34Å; L117-K121 PolarHBondContact O-N 3.25Å; L117-F131 HydrophobicContact CD2-CE1 4.47Å; L117-F131 HydrophobicContact CD2-CZ 4.03Å; L117-F131 HydrophobicContact CG-CE1 4.4Å; L117-F131 HydrophobicContact CG-CZ 4.36Å |
| 118 | I | 92.3 | Very high | 90.8 | Very high | 82 Ų | 82 | 63.8 Ų | 63.8 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 173.2 | -67.5 | 164.6 | 0 | 0 | 0 | 110.1 | L33 V114 V115 E116 L120 K121 L122 | L33-I118 HydrophobicContact CD2-CG2 4.42Å; V114-I118 HydrophobicContact CG1-CD1 3.98Å; V114-I118 VanDerWaalsContact O-CG1 3.31Å; V114-I118 WeakPolarHBondContact O-CG1 3.39Å; V114-I118 PolarHBondContact O-N 3.15Å; V115-I118 WeakPolarHBondContact O-CB 3.34Å; V115-I118 PolarHBondContact O-N 2.72Å; V115-I118 VanDerWaalsContact O-N 3.16Å; E116-I118 VanDerWaalsContact C-N 3.3Å; E116-I118 PolarHBondContact O-N 3.32Å; I118-L120 VanDerWaalsContact C-N 3.32Å; I118-L120 PolarHBondContact O-N 3.4Å; I118-K121 WeakPolarHBondContact O-CB 3.34Å; I118-K121 PolarHBondContact O-N 3.29Å; I118-K121 VanDerWaalsContact O-N 3.15Å; I118-L122 PolarHBondContact O-N 3.46Å |
| 119 | T | 90.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.3 | -33.7 | 178.4 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | G30 L33 V115 E116 K121 L122 R124 | G30-T119 WeakPolarHBondContact O-CG2 3.41Å; L33-T119 HydrophobicContact CB-CG2 4.21Å; L33-T119 HydrophobicContact CD2-CG2 4.14Å; V115-T119 WeakPolarHBondContact O-CG2 3.44Å; V115-T119 PolarHBondContact O-N 3.22Å; E116-T119 WeakPolarHBondContact CA-OG1 3.28Å; E116-T119 PolarHBondContact O-N 3.41Å; E116-T119 VanDerWaalsContact O-N 3.08Å; E116-T119 PolarHBondContact O-OG1 3.22Å; T119-K121 VanDerWaalsContact C-N 3.32Å; T119-K121 PolarHBondContact O-N 3.46Å; T119-L122 WeakPolarHBondContact O-CB 3.42Å; T119-L122 PolarHBondContact O-N 3.2Å; T119-L122 VanDerWaalsContact O-N 3.1Å; T119-R124 VanDerWaalsContact O-CB 3.29Å; T119-R124 WeakPolarHBondContact O-CB 3.42Å; T119-R124 PolarHBondContact O-N 2.83Å |
| 120 | L | 89.7 | Confident | 90.3 | Very high | 24 Ų | 24 | 62 Ų | 62 | 13% | 0.126 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.2 | -38 | 173.1 | -66.3 | 171.6 | 0 | 0 | 0 | 111.7 | E116 L117 I118 L122 G123 R124 A129 F131 | E116-L120 WeakPolarHBondContact O-CG 3.06Å; E116-L120 PolarHBondContact O-N 2.94Å; L117-L120 HydrophobicContact CD2-CD1 4.34Å; I118-L120 VanDerWaalsContact C-N 3.32Å; I118-L120 PolarHBondContact O-N 3.4Å; L120-L122 PolarHBondContact O-N 3.07Å; L120-G123 PolarHBondContact O-N 3.37Å; L120-G123 VanDerWaalsContact O-N 3.09Å; L120-R124 HydrophobicContact CD2-CB 4.48Å; L120-R124 WeakPolarHBondContact CD2-O 3.25Å; L120-A129 HydrophobicContact CD2-CB 4.47Å; L120-F131 HydrophobicContact CD1-CE2 3.79Å; L120-F131 HydrophobicContact CD1-CZ 3.64Å |
| 121 | K | 89.9 | Confident | 90.2 | Very high | 189 Ų | 189 | 59.9 Ų | 59.9 | 82% | 0.822 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66.7 | -21.5 | 173.5 | -71.5 | -175.4 | 176.5 | -175.7 | 0 | 113.4 | L117 I118 T119 G123 | L117-K121 PolarHBondContact O-N 3.25Å; I118-K121 WeakPolarHBondContact O-CB 3.34Å; I118-K121 PolarHBondContact O-N 3.29Å; I118-K121 VanDerWaalsContact O-N 3.15Å; T119-K121 VanDerWaalsContact C-N 3.32Å; T119-K121 PolarHBondContact O-N 3.46Å; K121-G123 PolarHBondContact O-N 2.88Å |
| 122 | L | 86 | Confident | 90.2 | Very high | 83 Ų | 83 | 58.9 Ų | 58.9 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 8.2 | 173.4 | -64.2 | 172 | 0 | 0 | 0 | 112.7 | E29 I118 T119 L120 | E29-L122 WeakPolarHBondContact CB-O 3.5Å; I118-L122 PolarHBondContact O-N 3.46Å; T119-L122 WeakPolarHBondContact O-CB 3.42Å; T119-L122 PolarHBondContact O-N 3.2Å; T119-L122 VanDerWaalsContact O-N 3.1Å; L120-L122 PolarHBondContact O-N 3.07Å |
| 123 | G | 80.8 | Confident | 90.2 | Very high | 51 Ų | 51 | 59.2 Ų | 59.2 | 53% | 0.526 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | 12.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | L120 K121 | L120-G123 PolarHBondContact O-N 3.37Å; L120-G123 VanDerWaalsContact O-N 3.09Å; K121-G123 PolarHBondContact O-N 2.88Å |
| 124 | R | 83.2 | Confident | 90.3 | Very high | 12 Ų | 12 | 57.1 Ų | 57.1 | 5% | 0.045 | 30% | 0.297 | C | S | . | . | trans | -73.8 | 136.7 | 171.2 | -173.6 | 165.4 | 110.9 | 136.6 | -13.8 | 111.2 | S34 E116 T119 L120 Y128 | S34-R124 PolarHBondContact OG-NH2 3.38Å; E116-R124 IonicContact OE1-NH2 2.91Å; E116-R124 PolarHBondContact OE1-NH2 3.43Å; E116-R124 VanDerWaalsContact OE1-NH2 3.07Å; E116-R124 IonicContact OE2-CZ 2.57Å; E116-R124 IonicContact OE2-NH2 3.07Å; E116-R124 PolarHBondContact OE2-NH2 3.21Å; T119-R124 VanDerWaalsContact O-CB 3.29Å; T119-R124 WeakPolarHBondContact O-CB 3.42Å; T119-R124 PolarHBondContact O-N 2.83Å; L120-R124 HydrophobicContact CD2-CB 4.48Å; L120-R124 WeakPolarHBondContact CD2-O 3.25Å; R124-Y128 VanDerWaalsContact CZ-O 3.29Å; R124-Y128 PolarHBondContact NH1-O 3.42Å; R124-Y128 PolarHBondContact NH2-O 2.83Å; R124-Y128 VanDerWaalsContact NH2-O 3.14Å | ||
| 125 | D | 85.4 | Confident | 90.3 | Very high | 87 Ų | 87 | 57.4 Ų | 57.4 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | trans | -67.4 | 141.6 | 176.3 | -59.1 | -42.9 | 0 | 0 | 0 | 112 | E127 Y128 | D125-E127 PolarHBondContact O-N 3.21Å; D125-E127 VanDerWaalsContact O-N 3.11Å; D125-Y128 HydrophobicContact CB-CD2 3.76Å; D125-Y128 HydrophobicContact CB-CE2 3.91Å; D125-Y128 PolarHBondContact O-N 3.27Å; D125-Y128 VanDerWaalsContact O-N 3.14Å | ||
| 126 | H | 86 | Confident | 90.4 | Very high | 145 Ų | 145 | 56.9 Ų | 56.9 | 67% | 0.671 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -56.2 | -28.3 | 178.5 | -75.4 | -73.4 | 0 | 0 | 0 | 113.4 | Y128 A129 | H126-Y128 VanDerWaalsContact C-N 3.27Å; H126-Y128 PolarHBondContact O-N 3.05Å; H126-A129 WeakPolarHBondContact O-CB 3.48Å; H126-A129 PolarHBondContact O-N 3.48Å |
| 127 | E | 86 | Confident | 90.5 | Very high | 153 Ų | 153 | 57.6 Ų | 57.6 | 72% | 0.715 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -70 | -22.6 | -177.3 | -59.4 | -175 | 173.3 | 0 | 0 | 113.3 | D125 Q176 | D125-E127 PolarHBondContact O-N 3.21Å; D125-E127 VanDerWaalsContact O-N 3.11Å; E127-Q176 PolarHBondContact O-NE2 3.31Å |
| 128 | Y | 85.8 | Confident | 90.6 | Very high | 36 Ų | 36 | 55 Ų | 55 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -92.7 | -3.1 | 178.7 | -57.1 | -58.3 | 0 | 0 | 0 | 113.7 | R124 D125 H126 Q130 Q176 Q180 | R124-Y128 VanDerWaalsContact CZ-O 3.29Å; R124-Y128 PolarHBondContact NH1-O 3.42Å; R124-Y128 PolarHBondContact NH2-O 2.83Å; R124-Y128 VanDerWaalsContact NH2-O 3.14Å; D125-Y128 HydrophobicContact CB-CD2 3.76Å; D125-Y128 HydrophobicContact CB-CE2 3.91Å; D125-Y128 PolarHBondContact O-N 3.27Å; D125-Y128 VanDerWaalsContact O-N 3.14Å; H126-Y128 VanDerWaalsContact C-N 3.27Å; H126-Y128 PolarHBondContact O-N 3.05Å; Y128-Q130 PolarHBondContact O-NE2 3.21Å; Y128-Q176 HydrophobicContact CD1-CB 4.02Å; Y128-Q176 HydrophobicContact CD1-CG 3.85Å; Y128-Q176 HydrophobicContact CE1-CB 4.25Å; Y128-Q176 HydrophobicContact CE1-CG 4.34Å; Y128-Q180 PolarHBondContact OH-NE2 3.2Å |
| 129 | A | 90.3 | Very high | 90.7 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | trans | -64.2 | 140.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E116 L120 H126 F131 | E116-A129 VanDerWaalsContact OE2-CA 3.25Å; E116-A129 WeakPolarHBondContact OE2-CA 3.45Å; L120-A129 HydrophobicContact CD2-CB 4.47Å; H126-A129 WeakPolarHBondContact O-CB 3.48Å; H126-A129 PolarHBondContact O-N 3.48Å; A129-F131 HydrophobicContact CB-CD2 3.41Å; A129-F131 VanDerWaalsContact CB-CD2 3.41Å; A129-F131 HydrophobicContact CB-CE2 3.39Å; A129-F131 HydrophobicContact CB-CG 4.2Å; A129-F131 HydrophobicContact CB-CZ 4.15Å; A129-F131 PolarHBondContact O-N 3.43Å | ||
| 130 | Q | 91.8 | Very high | 90.9 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | trans | -90.8 | 24.5 | -178.5 | -59.7 | -63.9 | -56.1 | 0 | 0 | 112.4 | L38 E116 Y128 P132 F133 Y134 | L38-Q130 HydrophobicContact CD2-CG 4.16Å; E116-Q130 PolarHBondContact OE2-N 3.4Å; Y128-Q130 PolarHBondContact O-NE2 3.21Å; Q130-P132 VanDerWaalsContact C-CD 3.47Å; Q130-F133 WeakPolarHBondContact O-CB 3.44Å; Q130-F133 PolarHBondContact O-N 2.73Å; Q130-F133 VanDerWaalsContact O-N 3.14Å; Q130-Y134 HydrophobicContact CB-CD2 4.34Å; Q130-Y134 HydrophobicContact CB-CE2 3.96Å; Q130-Y134 WeakPolarHBondContact O-CD2 3.22Å; Q130-Y134 PolarHBondContact O-N 3.1Å | ||
| 131 | F | 93.9 | Very high | 91.1 | Very high | 58 Ų | 58 | 52.6 Ų | 52.6 | 25% | 0.254 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -53.3 | -44.4 | 179.5 | -61.5 | -55 | 0 | 0 | 0 | 113.7 | I113 E116 L117 L120 A129 F133 Y134 T135 | I113-F131 HydrophobicContact CG2-CD1 4.49Å; I113-F131 HydrophobicContact CG2-CE1 4.17Å; E116-F131 HydrophobicContact CB-CD1 4.36Å; E116-F131 HydrophobicContact CB-CE1 3.66Å; E116-F131 HydrophobicContact CB-CZ 4.06Å; E116-F131 HydrophobicContact CG-CE1 4.45Å; L117-F131 HydrophobicContact CD2-CE1 4.47Å; L117-F131 HydrophobicContact CD2-CZ 4.03Å; L117-F131 HydrophobicContact CG-CE1 4.4Å; L117-F131 HydrophobicContact CG-CZ 4.36Å; L120-F131 HydrophobicContact CD1-CE2 3.79Å; L120-F131 HydrophobicContact CD1-CZ 3.64Å; A129-F131 HydrophobicContact CB-CD2 3.41Å; A129-F131 VanDerWaalsContact CB-CD2 3.41Å; A129-F131 HydrophobicContact CB-CE2 3.39Å; A129-F131 HydrophobicContact CB-CG 4.2Å; A129-F131 HydrophobicContact CB-CZ 4.15Å; A129-F131 PolarHBondContact O-N 3.43Å; F131-F133 VanDerWaalsContact C-N 3.26Å; F131-F133 PolarHBondContact O-N 2.68Å; F131-Y134 PolarHBondContact O-N 3.1Å; F131-Y134 VanDerWaalsContact O-N 3.15Å; F131-T135 PolarHBondContact O-N 3.05Å; F131-T135 PolarHBondContact O-OG1 3.19Å; F131-T135 VanDerWaalsContact O-OG1 3.1Å |
| 132 | P | 95.4 | Very high | 91.3 | Very high | 60 Ų | 60 | 48.2 Ų | 48.2 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.4 | -37.1 | 179.4 | -25.7 | 36.8 | 0 | 0 | 0 | 113.1 | Q130 A136 V168 | Q130-P132 VanDerWaalsContact C-CD 3.47Å; P132-A136 WeakPolarHBondContact O-CB 3.25Å; P132-A136 PolarHBondContact O-N 2.86Å; P132-V168 HydrophobicContact CB-CG1 3.46Å; P132-V168 VanDerWaalsContact CB-CG1 3.46Å |
| 133 | F | 95.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.035 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.7 | -50.1 | 175 | 172.8 | -90.3 | 0 | 0 | 0 | 111.1 | L38 L42 Q130 F131 T135 A136 M137 P165 Q169 | L38-F133 HydrophobicContact CD1-CD1 3.59Å; L38-F133 HydrophobicContact CD1-CE1 3.27Å; L38-F133 HydrophobicContact CD1-CG 4.46Å; L38-F133 HydrophobicContact CD1-CZ 3.9Å; L42-F133 HydrophobicContact CD1-CZ 4.31Å; L42-F133 HydrophobicContact CD2-CZ 3.89Å; L42-F133 HydrophobicContact CG-CZ 4.32Å; Q130-F133 WeakPolarHBondContact O-CB 3.44Å; Q130-F133 PolarHBondContact O-N 2.73Å; Q130-F133 VanDerWaalsContact O-N 3.14Å; F131-F133 VanDerWaalsContact C-N 3.26Å; F131-F133 PolarHBondContact O-N 2.68Å; F133-T135 VanDerWaalsContact C-N 3.31Å; F133-T135 PolarHBondContact O-N 2.84Å; F133-A136 PolarHBondContact O-N 2.97Å; F133-M137 HydrophobicContact CE1-CB 4.28Å; F133-M137 HydrophobicContact CZ-CB 4.46Å; F133-M137 WeakPolarHBondContact O-CB 3.29Å; F133-M137 PolarHBondContact O-N 3.37Å; F133-P165 HydrophobicContact CD2-CB 3.82Å; F133-P165 WeakPolarHBondContact CD2-O 3.26Å; F133-P165 HydrophobicContact CE2-CB 3.62Å; F133-P165 HydrophobicContact CZ-CB 4.35Å; F133-Q169 HydrophobicContact CD2-CB 3.99Å; F133-Q169 HydrophobicContact CD2-CG 4.35Å |
| 134 | Y | 96.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -36.1 | -180 | -68.5 | -60.8 | 0 | 0 | 0 | 112.7 | Y37 L38 C109 I113 E116 Q130 F131 M137 T138 | Y37-Y134 HydrophobicContact CE1-CE1 4.42Å; L38-Y134 HydrophobicContact CD1-CE1 4.26Å; C109-Y134 HydrophobicContact CB-CD1 4.29Å; I113-Y134 HydrophobicContact CG1-CD2 4.37Å; I113-Y134 HydrophobicContact CG1-CG 4.23Å; E116-Y134 HydrophobicContact CG-CD2 4.09Å; E116-Y134 HydrophobicContact CG-CE2 3.51Å; Q130-Y134 HydrophobicContact CB-CD2 4.34Å; Q130-Y134 HydrophobicContact CB-CE2 3.96Å; Q130-Y134 WeakPolarHBondContact O-CD2 3.22Å; Q130-Y134 PolarHBondContact O-N 3.1Å; F131-Y134 PolarHBondContact O-N 3.1Å; F131-Y134 VanDerWaalsContact O-N 3.15Å; Y134-M137 PolarHBondContact O-N 2.93Å; Y134-T138 WeakPolarHBondContact O-CB 3.47Å; Y134-T138 PolarHBondContact O-N 3.24Å; Y134-T138 PolarHBondContact O-OG1 2.93Å |
| 135 | T | 95.4 | Very high | 92.6 | Very high | 87 Ų | 87 | 44 Ų | 44 | 53% | 0.534 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.7 | -48.8 | 174.2 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | F131 F133 M137 T138 T139 | F131-T135 PolarHBondContact O-N 3.05Å; F131-T135 PolarHBondContact O-OG1 3.19Å; F131-T135 VanDerWaalsContact O-OG1 3.1Å; F133-T135 VanDerWaalsContact C-N 3.31Å; F133-T135 PolarHBondContact O-N 2.84Å; T135-M137 VanDerWaalsContact C-N 3.31Å; T135-M137 PolarHBondContact O-N 3.5Å; T135-T138 WeakPolarHBondContact O-CB 3.46Å; T135-T138 PolarHBondContact O-N 3.24Å; T135-T139 PolarHBondContact O-N 2.7Å |
| 136 | A | 96.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -35.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P132 F133 T138 T139 A140 L164 P165 V168 | P132-A136 WeakPolarHBondContact O-CB 3.25Å; P132-A136 PolarHBondContact O-N 2.86Å; F133-A136 PolarHBondContact O-N 2.97Å; A136-T138 VanDerWaalsContact C-N 3.34Å; A136-T139 PolarHBondContact O-N 3.47Å; A136-T139 PolarHBondContact O-OG1 2.87Å; A136-A140 PolarHBondContact O-N 3.33Å; A136-L164 HydrophobicContact CB-CD2 4.31Å; A136-L164 HydrophobicContact CB-CG 4.17Å; A136-P165 HydrophobicContact CB-CB 4.12Å; A136-P165 HydrophobicContact CB-CG 4Å; A136-V168 HydrophobicContact CB-CG2 4.31Å |
| 137 | M | 95.6 | Very high | 93 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.1 | -30.9 | 177.4 | -169.4 | 65.5 | -166.2 | 0 | 0 | 111.7 | L45 K105 C109 F133 Y134 T135 A140 G141 P165 | L45-M137 HydrophobicContact CD2-CE 3.64Å; K105-M137 HydrophobicContact CB-CE 4.19Å; K105-M137 HydrophobicContact CD-CE 3.58Å; K105-M137 HydrophobicContact CG-CE 3.54Å; C109-M137 VanDerWaalsContact SG-CB 3.56Å; C109-M137 VanDerWaalsContact SG-CG 3.53Å; F133-M137 HydrophobicContact CE1-CB 4.28Å; F133-M137 HydrophobicContact CZ-CB 4.46Å; F133-M137 WeakPolarHBondContact O-CB 3.29Å; F133-M137 PolarHBondContact O-N 3.37Å; Y134-M137 PolarHBondContact O-N 2.93Å; T135-M137 VanDerWaalsContact C-N 3.31Å; T135-M137 PolarHBondContact O-N 3.5Å; M137-A140 WeakPolarHBondContact O-CB 3.36Å; M137-A140 PolarHBondContact O-N 3.35Å; M137-A140 HydrophobicContact SD-CB 4.5Å; M137-G141 PolarHBondContact O-N 2.91Å; M137-P165 HydrophobicContact CB-CB 4.34Å; M137-P165 HydrophobicContact CB-CG 4.17Å; M137-P165 HydrophobicContact SD-CB 4.38Å; M137-P165 HydrophobicContact SD-CG 3.93Å |
| 138 | T | 95.7 | Very high | 93 | Very high | 34 Ų | 34 | 31.3 Ų | 31.3 | 21% | 0.209 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.2 | -39.9 | 171.9 | -58.8 | 0 | 0 | 0 | 0 | 111 | C109 Y134 T135 A136 A140 G141 L142 | C109-T138 VanDerWaalsContact CB-OG1 3.28Å; C109-T138 WeakPolarHBondContact CB-OG1 3.34Å; Y134-T138 WeakPolarHBondContact O-CB 3.47Å; Y134-T138 PolarHBondContact O-N 3.24Å; Y134-T138 PolarHBondContact O-OG1 2.93Å; T135-T138 WeakPolarHBondContact O-CB 3.46Å; T135-T138 PolarHBondContact O-N 3.24Å; A136-T138 VanDerWaalsContact C-N 3.34Å; T138-A140 VanDerWaalsContact C-N 3.29Å; T138-A140 PolarHBondContact O-N 3.3Å; T138-G141 PolarHBondContact O-N 3.06Å; T138-L142 HydrophobicContact CG2-CD1 4.32Å; T138-L142 HydrophobicContact CG2-CG 4.47Å; T138-L142 WeakPolarHBondContact O-CG 3.48Å; T138-L142 PolarHBondContact O-N 2.86Å |
| 139 | T | 94.9 | Very high | 93 | Very high | 57 Ų | 57 | 33.5 Ų | 33.5 | 35% | 0.35 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.5 | -36.1 | 174.6 | 60.5 | 0 | 0 | 0 | 0 | 111.8 | T135 A136 L142 L143 | T135-T139 PolarHBondContact O-N 2.7Å; A136-T139 PolarHBondContact O-N 3.47Å; A136-T139 PolarHBondContact O-OG1 2.87Å; T139-L142 PolarHBondContact O-N 3.39Å; T139-L143 PolarHBondContact O-N 3.33Å |
| 140 | A | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A136 M137 T138 L142 L143 D144 I161 Y162 | A136-A140 PolarHBondContact O-N 3.33Å; M137-A140 WeakPolarHBondContact O-CB 3.36Å; M137-A140 PolarHBondContact O-N 3.35Å; M137-A140 HydrophobicContact SD-CB 4.5Å; T138-A140 VanDerWaalsContact C-N 3.29Å; T138-A140 PolarHBondContact O-N 3.3Å; A140-L142 VanDerWaalsContact C-N 3.35Å; A140-L142 PolarHBondContact O-N 3.17Å; A140-L143 PolarHBondContact O-N 2.79Å; A140-D144 PolarHBondContact O-N 3.5Å; A140-D144 VanDerWaalsContact O-N 3.12Å; A140-I161 HydrophobicContact CB-CG2 3.94Å; A140-Y162 HydrophobicContact CB-CD1 3.93Å; A140-Y162 HydrophobicContact CB-CE1 4.35Å |
| 141 | G | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.9 | -37 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | M137 T138 D144 I145 | M137-G141 PolarHBondContact O-N 2.91Å; T138-G141 PolarHBondContact O-N 3.06Å; G141-D144 WeakPolarHBondContact O-CB 3.13Å; G141-D144 PolarHBondContact O-N 3.46Å; G141-I145 WeakPolarHBondContact O-CG1 3.33Å; G141-I145 PolarHBondContact O-N 3.16Å |
| 142 | L | 94.4 | Very high | 91.5 | Very high | 96 Ų | 96 | 45.7 Ų | 45.7 | 50% | 0.503 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 174.3 | -73.3 | 171.9 | 0 | 0 | 0 | 111.9 | I106 T138 T139 A140 D144 I145 L146 | I106-L142 HydrophobicContact CD1-CD2 3.8Å; I106-L142 HydrophobicContact CD1-CG 4.14Å; T138-L142 HydrophobicContact CG2-CD1 4.32Å; T138-L142 HydrophobicContact CG2-CG 4.47Å; T138-L142 WeakPolarHBondContact O-CG 3.48Å; T138-L142 PolarHBondContact O-N 2.86Å; T139-L142 PolarHBondContact O-N 3.39Å; A140-L142 VanDerWaalsContact C-N 3.35Å; A140-L142 PolarHBondContact O-N 3.17Å; L142-D144 VanDerWaalsContact C-N 3.31Å; L142-D144 PolarHBondContact O-N 2.91Å; L142-I145 PolarHBondContact O-N 2.7Å; L142-L146 WeakPolarHBondContact O-CB 3.22Å; L142-L146 PolarHBondContact O-N 3.09Å |
| 143 | L | 93 | Very high | 90.8 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 175.1 | -173 | 72.4 | 0 | 0 | 0 | 111.4 | T139 A140 I145 L146 M147 L157 D158 I161 | T139-L143 PolarHBondContact O-N 3.33Å; A140-L143 PolarHBondContact O-N 2.79Å; L143-I145 VanDerWaalsContact C-N 3.33Å; L143-I145 PolarHBondContact O-N 3.24Å; L143-L146 PolarHBondContact O-N 3.47Å; L143-M147 HydrophobicContact CD1-CG 4.49Å; L143-M147 HydrophobicContact CD2-CE 4.1Å; L143-M147 HydrophobicContact CG-CE 4.01Å; L143-M147 HydrophobicContact CG-CG 4.24Å; L143-M147 HydrophobicContact CG-SD 4.42Å; L143-M147 WeakPolarHBondContact O-CB 3.35Å; L143-M147 VanDerWaalsContact O-CG 3.29Å; L143-M147 WeakPolarHBondContact O-CG 3.33Å; L143-M147 PolarHBondContact O-N 3.02Å; L143-L157 HydrophobicContact CD1-CD2 3.93Å; L143-L157 HydrophobicContact CD2-CD2 4.26Å; L143-D158 HydrophobicContact CD2-CB 4.2Å; L143-I161 HydrophobicContact CB-CG2 4.32Å; L143-I161 HydrophobicContact CD1-CD1 4.11Å; L143-I161 HydrophobicContact CD2-CB 3.86Å; L143-I161 HydrophobicContact CD2-CD1 3.72Å; L143-I161 HydrophobicContact CD2-CG1 4.29Å; L143-I161 HydrophobicContact CD2-CG2 3.99Å; L143-I161 HydrophobicContact CG-CD1 4.34Å |
| 144 | D | 91.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 177.1 | -67.6 | -12.1 | 0 | 0 | 0 | 112.3 | G102 K105 A140 G141 L142 M147 S148 Y162 | G102-D144 VanDerWaalsContact CA-CB 3.47Å; K105-D144 VanDerWaalsContact CD-OD2 3.27Å; K105-D144 WeakPolarHBondContact CD-OD2 3.31Å; K105-D144 WeakPolarHBondContact CE-OD2 3.46Å; K105-D144 IonicContact NZ-OD1 2.73Å; K105-D144 IonicContact NZ-OD2 2.72Å; K105-D144 PolarHBondContact NZ-OD2 3.02Å; A140-D144 PolarHBondContact O-N 3.5Å; A140-D144 VanDerWaalsContact O-N 3.12Å; G141-D144 WeakPolarHBondContact O-CB 3.13Å; G141-D144 PolarHBondContact O-N 3.46Å; L142-D144 VanDerWaalsContact C-N 3.31Å; L142-D144 PolarHBondContact O-N 2.91Å; D144-M147 PolarHBondContact O-N 3.33Å; D144-S148 WeakPolarHBondContact O-CB 3.43Å; D144-S148 PolarHBondContact O-N 2.77Å; D144-S148 PolarHBondContact O-OG 2.82Å; D144-Y162 WeakPolarHBondContact OD1-CE1 3.41Å; D144-Y162 PolarHBondContact OD1-OH 3.25Å |
| 145 | I | 92.5 | Very high | 89.6 | Confident | 47 Ų | 47 | 57.6 Ų | 57.6 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 176.9 | -64.2 | 175.1 | 0 | 0 | 0 | 109.8 | I103 I106 G141 L142 L143 M147 S148 T149 | I103-I145 HydrophobicContact CG1-CD1 4.07Å; I103-I145 HydrophobicContact CG1-CG1 4.48Å; I106-I145 HydrophobicContact CD1-CD1 3.46Å; I106-I145 VanDerWaalsContact CD1-CD1 3.46Å; G141-I145 WeakPolarHBondContact O-CG1 3.33Å; G141-I145 PolarHBondContact O-N 3.16Å; L142-I145 PolarHBondContact O-N 2.7Å; L143-I145 VanDerWaalsContact C-N 3.33Å; L143-I145 PolarHBondContact O-N 3.24Å; I145-M147 PolarHBondContact O-N 3.26Å; I145-S148 WeakPolarHBondContact CA-OG 3.47Å; I145-S148 PolarHBondContact O-N 3.25Å; I145-S148 VanDerWaalsContact O-N 3.16Å; I145-S148 PolarHBondContact O-OG 3.27Å; I145-T149 HydrophobicContact CG2-CG2 4.46Å; I145-T149 WeakPolarHBondContact O-CB 3.21Å; I145-T149 WeakPolarHBondContact O-CG2 3.29Å; I145-T149 PolarHBondContact O-N 3.16Å; I145-T149 VanDerWaalsContact O-N 3.13Å; I145-T149 PolarHBondContact O-OG1 3.45Å |
| 146 | L | 91.5 | Very high | 89.1 | Confident | 63 Ų | 63 | 54.1 Ų | 54.1 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 179.7 | -175.3 | 60.7 | 0 | 0 | 0 | 112.3 | L142 L143 S148 T149 I150 M151 | L142-L146 WeakPolarHBondContact O-CB 3.22Å; L142-L146 PolarHBondContact O-N 3.09Å; L143-L146 PolarHBondContact O-N 3.47Å; L146-S148 VanDerWaalsContact C-N 3.29Å; L146-S148 PolarHBondContact O-N 3.49Å; L146-T149 WeakPolarHBondContact CA-OG1 3.47Å; L146-T149 PolarHBondContact O-N 3.41Å; L146-T149 PolarHBondContact O-OG1 3.43Å; L146-I150 HydrophobicContact CD1-CB 4.49Å; L146-I150 PolarHBondContact O-N 2.88Å; L146-M151 HydrophobicContact CD1-CB 4.07Å; L146-M151 HydrophobicContact CD2-CB 4.28Å; L146-M151 HydrophobicContact CD2-CE 3.4Å; L146-M151 VanDerWaalsContact CD2-CE 3.4Å; L146-M151 HydrophobicContact CD2-SD 3.92Å; L146-M151 HydrophobicContact CG-CB 3.8Å; L146-M151 HydrophobicContact CG-CE 4.15Å; L146-M151 HydrophobicContact CG-SD 4.46Å; L146-M151 PolarHBondContact O-N 2.76Å; L146-M151 VanDerWaalsContact O-N 3.1Å |
| 147 | M | 88.3 | Confident | 88.8 | Confident | 28 Ų | 28 | 56.7 Ų | 56.7 | 14% | 0.138 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.9 | -31.6 | 173.8 | -75.7 | -164.5 | -69.8 | 0 | 0 | 112.9 | L143 D144 I145 T149 M151 P153 D158 Y162 | L143-M147 HydrophobicContact CD1-CG 4.49Å; L143-M147 HydrophobicContact CD2-CE 4.1Å; L143-M147 HydrophobicContact CG-CE 4.01Å; L143-M147 HydrophobicContact CG-CG 4.24Å; L143-M147 HydrophobicContact CG-SD 4.42Å; L143-M147 WeakPolarHBondContact O-CB 3.35Å; L143-M147 VanDerWaalsContact O-CG 3.29Å; L143-M147 WeakPolarHBondContact O-CG 3.33Å; L143-M147 PolarHBondContact O-N 3.02Å; D144-M147 PolarHBondContact O-N 3.33Å; I145-M147 PolarHBondContact O-N 3.26Å; M147-T149 VanDerWaalsContact C-N 3.34Å; M147-M151 WeakPolarHBondContact CA-O 3.48Å; M147-P153 HydrophobicContact CG-CG 3.87Å; M147-P153 HydrophobicContact SD-CG 3.72Å; M147-D158 HydrophobicContact CE-CB 4.18Å; M147-D158 HydrophobicContact SD-CB 4.07Å; M147-Y162 WeakPolarHBondContact CE-OH 3.31Å |
| 148 | S | 87.1 | Confident | 88.5 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 19% | 0.189 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -78.6 | -18.1 | 177.2 | 74 | 0 | 0 | 0 | 0 | 113.8 | D144 I145 L146 | D144-S148 WeakPolarHBondContact O-CB 3.43Å; D144-S148 PolarHBondContact O-N 2.77Å; D144-S148 PolarHBondContact O-OG 2.82Å; I145-S148 WeakPolarHBondContact CA-OG 3.47Å; I145-S148 PolarHBondContact O-N 3.25Å; I145-S148 VanDerWaalsContact O-N 3.16Å; I145-S148 PolarHBondContact O-OG 3.27Å; L146-S148 VanDerWaalsContact C-N 3.29Å; L146-S148 PolarHBondContact O-N 3.49Å |
| 149 | T | 84.9 | Confident | 88.2 | Confident | 82 Ų | 82 | 57.5 Ų | 57.5 | 50% | 0.503 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -111.7 | -54.2 | -169.3 | 51.1 | 0 | 0 | 0 | 0 | 113.8 | I145 L146 M147 | I145-T149 HydrophobicContact CG2-CG2 4.46Å; I145-T149 WeakPolarHBondContact O-CB 3.21Å; I145-T149 WeakPolarHBondContact O-CG2 3.29Å; I145-T149 PolarHBondContact O-N 3.16Å; I145-T149 VanDerWaalsContact O-N 3.13Å; I145-T149 PolarHBondContact O-OG1 3.45Å; L146-T149 WeakPolarHBondContact CA-OG1 3.47Å; L146-T149 PolarHBondContact O-N 3.41Å; L146-T149 PolarHBondContact O-OG1 3.43Å; M147-T149 VanDerWaalsContact C-N 3.34Å |
| 150 | I | 80.8 | Confident | 88.2 | Confident | 153 Ų | 153 | 60.6 Ų | 60.6 | 79% | 0.785 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.1 | -33.1 | -163.3 | -53.1 | 175.3 | 0 | 0 | 0 | 113.5 | L146 | L146-I150 HydrophobicContact CD1-CB 4.49Å; L146-I150 PolarHBondContact O-N 2.88Å |
| 151 | M | 80.5 | Confident | 88.2 | Confident | 81 Ų | 81 | 62.4 Ų | 62.4 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | trans | -122.2 | 130 | -161.6 | -158.9 | 174.9 | 78.2 | 0 | 0 | 113.6 | L146 M147 P153 | L146-M151 HydrophobicContact CD1-CB 4.07Å; L146-M151 HydrophobicContact CD2-CB 4.28Å; L146-M151 HydrophobicContact CD2-CE 3.4Å; L146-M151 VanDerWaalsContact CD2-CE 3.4Å; L146-M151 HydrophobicContact CD2-SD 3.92Å; L146-M151 HydrophobicContact CG-CB 3.8Å; L146-M151 HydrophobicContact CG-CE 4.15Å; L146-M151 HydrophobicContact CG-SD 4.46Å; L146-M151 PolarHBondContact O-N 2.76Å; L146-M151 VanDerWaalsContact O-N 3.1Å; M147-M151 WeakPolarHBondContact CA-O 3.48Å; M151-P153 HydrophobicContact CE-CB 4.37Å; M151-P153 WeakPolarHBondContact O-CD 3.42Å | ||
| 152 | A | 82.4 | Confident | 88.1 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 81% | 0.81 | 35% | 0.353 | S | S | * | . | trans | -91.9 | 105.8 | 162 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 153 | P | 81.9 | Confident | 88.2 | Confident | 28 Ų | 28 | 59.8 Ų | 59.8 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -67 | 161.7 | 179.7 | 27.6 | -34.5 | 0 | 0 | 0 | 111.6 | M147 M151 L157 | M147-P153 HydrophobicContact CG-CG 3.87Å; M147-P153 HydrophobicContact SD-CG 3.72Å; M151-P153 HydrophobicContact CE-CB 4.37Å; M151-P153 WeakPolarHBondContact O-CD 3.42Å; P153-L157 HydrophobicContact CB-CB 4.32Å; P153-L157 HydrophobicContact CB-CD2 3.78Å |
| 154 | P | 85.4 | Confident | 88.3 | Confident | 89 Ų | 89 | 62.9 Ų | 62.9 | 58% | 0.578 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 143.3 | 167.6 | -23.3 | 32.6 | 0 | 0 | 0 | 111 | G156 L157 | P154-G156 PolarHBondContact O-N 3.13Å; P154-L157 HydrophobicContact CB-CB 4.47Å; P154-L157 HydrophobicContact CG-CD1 4.38Å; P154-L157 WeakPolarHBondContact O-CB 3.34Å; P154-L157 PolarHBondContact O-N 3.03Å; P154-L157 VanDerWaalsContact O-N 3.1Å |
| 155 | K | 81.8 | Confident | 88.5 | Confident | 206 Ų | 206 | 62.8 Ų | 62.8 | 90% | 0.896 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 126.2 | 179.1 | -67.1 | -179.7 | -180 | 177.2 | 0 | 109.7 | ||
| 156 | G | 84.4 | Confident | 88.8 | Confident | 13 Ų | 13 | 60.6 Ų | 60.6 | 13% | 0.134 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -13.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | P154 D158 S159 M160 M206 | P154-G156 PolarHBondContact O-N 3.13Å; G156-D158 WeakPolarHBondContact CA-OD1 3.36Å; G156-D158 PolarHBondContact O-N 3.13Å; G156-S159 PolarHBondContact O-N 3.39Å; G156-M160 WeakPolarHBondContact O-CG 3.41Å; G156-M160 PolarHBondContact O-N 2.93Å; G156-M206 WeakPolarHBondContact CA-SD 3.45Å; G156-M206 VanDerWaalsContact O-SD 3.42Å |
| 157 | L | 88.9 | Confident | 89.1 | Confident | 61 Ų | 61 | 59.6 Ų | 59.6 | 32% | 0.319 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64 | -32.2 | 177.1 | -178 | 142 | 0 | 0 | 0 | 111.8 | L143 P153 P154 I161 | L143-L157 HydrophobicContact CD1-CD2 3.93Å; L143-L157 HydrophobicContact CD2-CD2 4.26Å; P153-L157 HydrophobicContact CB-CB 4.32Å; P153-L157 HydrophobicContact CB-CD2 3.78Å; P154-L157 HydrophobicContact CB-CB 4.47Å; P154-L157 HydrophobicContact CG-CD1 4.38Å; P154-L157 WeakPolarHBondContact O-CB 3.34Å; P154-L157 PolarHBondContact O-N 3.03Å; P154-L157 VanDerWaalsContact O-N 3.1Å; L157-I161 HydrophobicContact CD2-CD1 3.47Å; L157-I161 VanDerWaalsContact CD2-CD1 3.47Å; L157-I161 HydrophobicContact CD2-CG1 4.33Å; L157-I161 HydrophobicContact CG-CD1 4.13Å; L157-I161 WeakPolarHBondContact O-CB 3.35Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 3.27Å |
| 158 | D | 90.1 | Very high | 89.4 | Confident | 45 Ų | 45 | 60 Ų | 60 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.3 | -50.3 | 171.7 | 58.6 | -13.1 | 0 | 0 | 0 | 112.4 | L143 M147 G156 M160 I161 Y162 | L143-D158 HydrophobicContact CD2-CB 4.2Å; M147-D158 HydrophobicContact CE-CB 4.18Å; M147-D158 HydrophobicContact SD-CB 4.07Å; G156-D158 WeakPolarHBondContact CA-OD1 3.36Å; G156-D158 PolarHBondContact O-N 3.13Å; D158-M160 PolarHBondContact O-N 2.66Å; D158-I161 PolarHBondContact O-N 2.88Å; D158-Y162 HydrophobicContact CB-CE2 4.23Å; D158-Y162 WeakPolarHBondContact O-CD2 3.28Å; D158-Y162 PolarHBondContact O-N 3.19Å |
| 159 | S | 90.1 | Very high | 89.9 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 15% | 0.154 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.6 | -38.7 | -178.2 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | G156 Y162 A163 M206 | G156-S159 PolarHBondContact O-N 3.39Å; S159-Y162 PolarHBondContact O-N 3.45Å; S159-A163 WeakPolarHBondContact O-CB 3.48Å; S159-A163 PolarHBondContact O-N 3.23Å; S159-M206 VanDerWaalsContact CB-SD 3.54Å |
| 160 | M | 93.3 | Very high | 90.4 | Very high | 122 Ų | 122 | 55.6 Ų | 55.6 | 60% | 0.601 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62 | -44.5 | 173.9 | -70 | -176 | 73.4 | 0 | 0 | 111.9 | G156 D158 A163 L164 L203 | G156-M160 WeakPolarHBondContact O-CG 3.41Å; G156-M160 PolarHBondContact O-N 2.93Å; D158-M160 PolarHBondContact O-N 2.66Å; M160-A163 PolarHBondContact O-N 2.87Å; M160-L164 PolarHBondContact O-N 2.87Å; M160-L203 HydrophobicContact CG-CD2 4.21Å |
| 161 | I | 94.4 | Very high | 91.1 | Very high | 38 Ų | 38 | 56.1 Ų | 56.1 | 20% | 0.195 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.1 | -36.3 | 179.2 | -70.8 | 179.6 | 0 | 0 | 0 | 111.2 | A140 L143 L157 D158 A163 L164 P165 | A140-I161 HydrophobicContact CB-CG2 3.94Å; L143-I161 HydrophobicContact CB-CG2 4.32Å; L143-I161 HydrophobicContact CD1-CD1 4.11Å; L143-I161 HydrophobicContact CD2-CB 3.86Å; L143-I161 HydrophobicContact CD2-CD1 3.72Å; L143-I161 HydrophobicContact CD2-CG1 4.29Å; L143-I161 HydrophobicContact CD2-CG2 3.99Å; L143-I161 HydrophobicContact CG-CD1 4.34Å; L157-I161 HydrophobicContact CD2-CD1 3.47Å; L157-I161 VanDerWaalsContact CD2-CD1 3.47Å; L157-I161 HydrophobicContact CD2-CG1 4.33Å; L157-I161 HydrophobicContact CG-CD1 4.13Å; L157-I161 WeakPolarHBondContact O-CB 3.35Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 3.27Å; D158-I161 PolarHBondContact O-N 2.88Å; I161-A163 VanDerWaalsContact C-N 3.34Å; I161-L164 WeakPolarHBondContact O-CB 3.46Å; I161-L164 PolarHBondContact O-N 3.46Å; I161-P165 VanDerWaalsContact O-CD 3.28Å; I161-P165 WeakPolarHBondContact O-CD 3.33Å |
| 162 | Y | 93 | Very high | 91.8 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 15% | 0.153 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.7 | -28.6 | 173.3 | -65.4 | -49.8 | 0 | 0 | 0 | 114.1 | K105 A140 D144 M147 D158 S159 P165 | K105-Y162 VanDerWaalsContact NZ-CE1 3.26Å; A140-Y162 HydrophobicContact CB-CD1 3.93Å; A140-Y162 HydrophobicContact CB-CE1 4.35Å; D144-Y162 WeakPolarHBondContact OD1-CE1 3.41Å; D144-Y162 PolarHBondContact OD1-OH 3.25Å; M147-Y162 WeakPolarHBondContact CE-OH 3.31Å; D158-Y162 HydrophobicContact CB-CE2 4.23Å; D158-Y162 WeakPolarHBondContact O-CD2 3.28Å; D158-Y162 PolarHBondContact O-N 3.19Å; S159-Y162 PolarHBondContact O-N 3.45Å; Y162-P165 WeakPolarHBondContact O-CD 3.46Å |
| 163 | A | 95.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -78.5 | -26.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S159 M160 I161 F166 F167 I202 L203 | S159-A163 WeakPolarHBondContact O-CB 3.48Å; S159-A163 PolarHBondContact O-N 3.23Å; M160-A163 PolarHBondContact O-N 2.87Å; I161-A163 VanDerWaalsContact C-N 3.34Å; A163-F166 PolarHBondContact O-N 2.96Å; A163-F166 VanDerWaalsContact O-N 3.15Å; A163-F167 HydrophobicContact CB-CD2 4.05Å; A163-F167 HydrophobicContact CB-CE2 3.64Å; A163-F167 WeakPolarHBondContact O-CD2 3.36Å; A163-F167 PolarHBondContact O-N 3.15Å; A163-I202 HydrophobicContact CB-CB 4.23Å; A163-I202 HydrophobicContact CB-CG2 4.13Å; A163-L203 HydrophobicContact CB-CD2 4.03Å; A163-L203 HydrophobicContact CB-CG 4.06Å |
| 164 | L | 96.1 | Very high | 93 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 40% | 0.398 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -52.8 | -47.2 | -175.9 | -178.4 | 67.5 | 0 | 0 | 0 | 114.4 | A136 M160 I161 F166 F167 V168 | A136-L164 HydrophobicContact CB-CD2 4.31Å; A136-L164 HydrophobicContact CB-CG 4.17Å; M160-L164 PolarHBondContact O-N 2.87Å; I161-L164 WeakPolarHBondContact O-CB 3.46Å; I161-L164 PolarHBondContact O-N 3.46Å; L164-F166 VanDerWaalsContact C-N 3.26Å; L164-F166 PolarHBondContact O-N 3.49Å; L164-F167 PolarHBondContact O-N 3.44Å; L164-V168 HydrophobicContact CD1-CG2 4.05Å; L164-V168 HydrophobicContact CG-CG2 4.24Å; L164-V168 WeakPolarHBondContact O-CG2 3.43Å; L164-V168 PolarHBondContact O-N 3.47Å |
| 165 | P | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.5 | -40.2 | 178.8 | -22.8 | 31.1 | 0 | 0 | 0 | 112.9 | F133 A136 M137 I161 Y162 V168 Q169 | F133-P165 HydrophobicContact CD2-CB 3.82Å; F133-P165 WeakPolarHBondContact CD2-O 3.26Å; F133-P165 HydrophobicContact CE2-CB 3.62Å; F133-P165 HydrophobicContact CZ-CB 4.35Å; A136-P165 HydrophobicContact CB-CB 4.12Å; A136-P165 HydrophobicContact CB-CG 4Å; M137-P165 HydrophobicContact CB-CB 4.34Å; M137-P165 HydrophobicContact CB-CG 4.17Å; M137-P165 HydrophobicContact SD-CB 4.38Å; M137-P165 HydrophobicContact SD-CG 3.93Å; I161-P165 VanDerWaalsContact O-CD 3.28Å; I161-P165 WeakPolarHBondContact O-CD 3.33Å; Y162-P165 WeakPolarHBondContact O-CD 3.46Å; P165-V168 PolarHBondContact O-N 3.32Å; P165-Q169 VanDerWaalsContact O-CB 3.25Å; P165-Q169 WeakPolarHBondContact O-CB 3.24Å; P165-Q169 PolarHBondContact O-N 3.43Å |
| 166 | F | 97.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.9 | -36 | -178.7 | -59.5 | -74.9 | 0 | 0 | 0 | 112.1 | L42 A163 L164 Q169 T170 A195 V198 I202 V236 H239 | L42-F166 HydrophobicContact CD2-CE1 3.79Å; L42-F166 HydrophobicContact CD2-CZ 3.94Å; A163-F166 PolarHBondContact O-N 2.96Å; A163-F166 VanDerWaalsContact O-N 3.15Å; L164-F166 VanDerWaalsContact C-N 3.26Å; L164-F166 PolarHBondContact O-N 3.49Å; F166-Q169 PolarHBondContact O-N 3.14Å; F166-T170 PolarHBondContact O-N 3.31Å; F166-T170 PolarHBondContact O-OG1 3.39Å; F166-A195 WeakPolarHBondContact CB-O 3.38Å; F166-A195 WeakPolarHBondContact O-CB 3.36Å; F166-V198 HydrophobicContact CB-CB 4.34Å; F166-V198 HydrophobicContact CB-CG1 4.32Å; F166-V198 HydrophobicContact CD1-CB 3.95Å; F166-V198 HydrophobicContact CD1-CG1 3.49Å; F166-V198 VanDerWaalsContact CD1-CG1 3.49Å; F166-V198 HydrophobicContact CD2-CG1 3.76Å; F166-V198 HydrophobicContact CE1-CB 4.44Å; F166-V198 HydrophobicContact CE1-CG1 3.6Å; F166-V198 HydrophobicContact CE2-CG1 3.85Å; F166-V198 HydrophobicContact CG-CB 4.07Å; F166-V198 HydrophobicContact CG-CG1 3.57Å; F166-V198 HydrophobicContact CZ-CG1 3.77Å; F166-I202 HydrophobicContact CD2-CD1 3.68Å; F166-I202 HydrophobicContact CE2-CD1 3.6Å; F166-V236 HydrophobicContact CZ-CG2 4.4Å; F166-H239 AromaticContact CD1-CD2 3.93Å; F166-H239 AromaticContact CE1-CD2 3.87Å |
| 167 | F | 97.4 | Very high | 94.1 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 18% | 0.184 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.7 | -44.8 | 172 | -69 | -54 | 0 | 0 | 0 | 112 | A163 L164 Q169 T170 Y171 F196 L203 | A163-F167 HydrophobicContact CB-CD2 4.05Å; A163-F167 HydrophobicContact CB-CE2 3.64Å; A163-F167 WeakPolarHBondContact O-CD2 3.36Å; A163-F167 PolarHBondContact O-N 3.15Å; L164-F167 PolarHBondContact O-N 3.44Å; F167-Q169 VanDerWaalsContact C-N 3.28Å; F167-Q169 PolarHBondContact O-N 2.93Å; F167-T170 VanDerWaalsContact O-CB 3.25Å; F167-T170 WeakPolarHBondContact O-CB 3.28Å; F167-T170 PolarHBondContact O-N 2.92Å; F167-T170 VanDerWaalsContact O-N 3.13Å; F167-Y171 WeakPolarHBondContact O-CD2 3.24Å; F167-Y171 PolarHBondContact O-N 2.88Å; F167-Y171 VanDerWaalsContact O-N 3.16Å; F167-F196 HydrophobicContact CD1-CD2 4.03Å; F167-F196 HydrophobicContact CD1-CE2 4.31Å; F167-F196 AromaticContact CE1-CD2 3.91Å; F167-F196 HydrophobicContact CE1-CD2 3.91Å; F167-F196 AromaticContact CE1-CE2 3.95Å; F167-F196 HydrophobicContact CE1-CE2 3.95Å; F167-L203 HydrophobicContact CE2-CD1 3.74Å; F167-L203 HydrophobicContact CE2-CG 4.31Å; F167-L203 HydrophobicContact CZ-CD1 3.77Å; F167-L203 HydrophobicContact CZ-CG 4.48Å |
| 168 | V | 96.6 | Very high | 94.2 | Very high | 37 Ų | 37 | 45.5 Ų | 45.5 | 22% | 0.224 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.7 | -46.7 | 174 | 170 | 0 | 0 | 0 | 0 | 110.2 | P132 A136 L164 P165 T170 Y171 C172 | P132-V168 HydrophobicContact CB-CG1 3.46Å; P132-V168 VanDerWaalsContact CB-CG1 3.46Å; A136-V168 HydrophobicContact CB-CG2 4.31Å; L164-V168 HydrophobicContact CD1-CG2 4.05Å; L164-V168 HydrophobicContact CG-CG2 4.24Å; L164-V168 WeakPolarHBondContact O-CG2 3.43Å; L164-V168 PolarHBondContact O-N 3.47Å; P165-V168 PolarHBondContact O-N 3.32Å; V168-T170 VanDerWaalsContact C-N 3.32Å; V168-T170 PolarHBondContact O-N 3.5Å; V168-Y171 PolarHBondContact O-N 3.49Å; V168-C172 WeakPolarHBondContact O-CB 3.3Å; V168-C172 PolarHBondContact O-N 3.31Å; V168-C172 PolarHBondContact O-SG 3.43Å |
| 169 | Q | 95.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 177.2 | -166.7 | 177.7 | 14.4 | 0 | 0 | 112.8 | F133 P165 F166 F167 Y171 C172 L173 A195 H239 | F133-Q169 HydrophobicContact CD2-CB 3.99Å; F133-Q169 HydrophobicContact CD2-CG 4.35Å; P165-Q169 VanDerWaalsContact O-CB 3.25Å; P165-Q169 WeakPolarHBondContact O-CB 3.24Å; P165-Q169 PolarHBondContact O-N 3.43Å; F166-Q169 PolarHBondContact O-N 3.14Å; F167-Q169 VanDerWaalsContact C-N 3.28Å; F167-Q169 PolarHBondContact O-N 2.93Å; Q169-Y171 PolarHBondContact O-N 2.95Å; Q169-C172 PolarHBondContact O-N 3.39Å; Q169-L173 HydrophobicContact CG-CD1 3.61Å; Q169-L173 HydrophobicContact CG-CG 4.13Å; Q169-L173 VanDerWaalsContact O-CB 3.32Å; Q169-L173 WeakPolarHBondContact O-CB 3.17Å; Q169-L173 WeakPolarHBondContact O-CG 3.31Å; Q169-L173 PolarHBondContact O-N 2.92Å; Q169-A195 HydrophobicContact CB-CB 4.48Å; Q169-H239 PolarHBondContact OE1-NE2 2.95Å |
| 170 | T | 96.9 | Very high | 93.6 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 8% | 0.08 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -54.6 | -54.3 | 174.3 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | F166 F167 V168 R174 S192 A195 F196 | F166-T170 PolarHBondContact O-N 3.31Å; F166-T170 PolarHBondContact O-OG1 3.39Å; F167-T170 VanDerWaalsContact O-CB 3.25Å; F167-T170 WeakPolarHBondContact O-CB 3.28Å; F167-T170 PolarHBondContact O-N 2.92Å; F167-T170 VanDerWaalsContact O-N 3.13Å; V168-T170 VanDerWaalsContact C-N 3.32Å; V168-T170 PolarHBondContact O-N 3.5Å; T170-R174 VanDerWaalsContact O-CB 3.31Å; T170-R174 WeakPolarHBondContact O-CB 3.35Å; T170-R174 PolarHBondContact O-N 3.42Å; T170-S192 PolarHBondContact O-OG 2.94Å; T170-S192 PolarHBondContact OG1-O 2.9Å; T170-A195 WeakPolarHBondContact OG1-CB 3.26Å; T170-F196 HydrophobicContact CG2-CB 3.86Å; T170-F196 HydrophobicContact CG2-CD2 4.24Å; T170-F196 WeakPolarHBondContact OG1-CA 3.33Å; T170-F196 PolarHBondContact OG1-N 3.48Å |
| 171 | Y | 95.6 | Very high | 93.2 | Very high | 165 Ų | 165 | 49.2 Ų | 49.2 | 65% | 0.647 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -67.7 | -43.5 | -177.2 | -67.2 | -67.4 | 0 | 0 | 0 | 112.1 | F167 V168 Q169 R174 A175 | F167-Y171 WeakPolarHBondContact O-CD2 3.24Å; F167-Y171 PolarHBondContact O-N 2.88Å; F167-Y171 VanDerWaalsContact O-N 3.16Å; V168-Y171 PolarHBondContact O-N 3.49Å; Q169-Y171 PolarHBondContact O-N 2.95Å; Y171-R174 PolarHBondContact O-N 3.3Å; Y171-A175 WeakPolarHBondContact O-CB 3.4Å; Y171-A175 PolarHBondContact O-N 3.27Å |
| 172 | C | 94.8 | Very high | 92.9 | Very high | 34 Ų | 34 | 52.3 Ų | 52.3 | 23% | 0.23 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 178.1 | -69.8 | 0 | 0 | 0 | 0 | 111.6 | V168 Q169 R174 A175 Q176 | V168-C172 WeakPolarHBondContact O-CB 3.3Å; V168-C172 PolarHBondContact O-N 3.31Å; V168-C172 PolarHBondContact O-SG 3.43Å; Q169-C172 PolarHBondContact O-N 3.39Å; C172-R174 VanDerWaalsContact C-N 3.33Å; C172-R174 PolarHBondContact O-N 3.47Å; C172-A175 PolarHBondContact O-N 3.14Å; C172-Q176 VanDerWaalsContact O-CB 3.31Å; C172-Q176 WeakPolarHBondContact O-CB 3.37Å; C172-Q176 WeakPolarHBondContact O-CG 3.47Å; C172-Q176 PolarHBondContact O-N 3.26Å |
| 173 | L | 94.2 | Very high | 92.8 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.3 | -31.4 | -178.8 | -70.6 | 172.5 | 0 | 0 | 0 | 113 | Q169 Q176 S177 I191 | Q169-L173 HydrophobicContact CG-CD1 3.61Å; Q169-L173 HydrophobicContact CG-CG 4.13Å; Q169-L173 VanDerWaalsContact O-CB 3.32Å; Q169-L173 WeakPolarHBondContact O-CB 3.17Å; Q169-L173 WeakPolarHBondContact O-CG 3.31Å; Q169-L173 PolarHBondContact O-N 2.92Å; L173-Q176 PolarHBondContact O-N 3.01Å; L173-S177 PolarHBondContact O-N 2.95Å; L173-I191 HydrophobicContact CD1-CB 3.77Å; L173-I191 HydrophobicContact CD1-CG2 3.2Å |
| 174 | R | 94.8 | Very high | 92.5 | Very high | 86 Ų | 86 | 50.5 Ų | 50.5 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.6 | -40.6 | 172.2 | 179.1 | 59.5 | -177 | -157.9 | 1.5 | 111.6 | T170 Y171 C172 S177 L189 Y193 | T170-R174 VanDerWaalsContact O-CB 3.31Å; T170-R174 WeakPolarHBondContact O-CB 3.35Å; T170-R174 PolarHBondContact O-N 3.42Å; Y171-R174 PolarHBondContact O-N 3.3Å; C172-R174 VanDerWaalsContact C-N 3.33Å; C172-R174 PolarHBondContact O-N 3.47Å; R174-S177 PolarHBondContact O-N 2.94Å; R174-S177 PolarHBondContact O-OG 3.39Å; R174-L189 VanDerWaalsContact CD-CD2 3.5Å; R174-Y193 PolarHBondContact NH1-OH 3.49Å |
| 175 | A | 93.4 | Very high | 92.3 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 50% | 0.496 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.3 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y171 C172 S177 Y178 | Y171-A175 WeakPolarHBondContact O-CB 3.4Å; Y171-A175 PolarHBondContact O-N 3.27Å; C172-A175 PolarHBondContact O-N 3.14Å; A175-S177 PolarHBondContact O-N 3.33Å; A175-Y178 VanDerWaalsContact O-CD2 3.28Å; A175-Y178 WeakPolarHBondContact O-CD2 3.26Å; A175-Y178 PolarHBondContact O-N 2.87Å |
| 176 | Q | 91.2 | Very high | 92.1 | Very high | 20 Ų | 20 | 51 Ų | 51 | 9% | 0.093 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -10 | 178.9 | -72.3 | 170.6 | -4 | 0 | 0 | 113.8 | E127 Y128 C172 L173 Q180 R188 | E127-Q176 PolarHBondContact O-NE2 3.31Å; Y128-Q176 HydrophobicContact CD1-CB 4.02Å; Y128-Q176 HydrophobicContact CD1-CG 3.85Å; Y128-Q176 HydrophobicContact CE1-CB 4.25Å; Y128-Q176 HydrophobicContact CE1-CG 4.34Å; C172-Q176 VanDerWaalsContact O-CB 3.31Å; C172-Q176 WeakPolarHBondContact O-CB 3.37Å; C172-Q176 WeakPolarHBondContact O-CG 3.47Å; C172-Q176 PolarHBondContact O-N 3.26Å; L173-Q176 PolarHBondContact O-N 3.01Å; Q176-Q180 VanDerWaalsContact O-CG 3.27Å; Q176-Q180 WeakPolarHBondContact O-CG 3.32Å; Q176-R188 WeakPolarHBondContact O-CD 3.46Å; Q176-R188 PolarHBondContact O-NH1 2.96Å |
| 177 | S | 91.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -19.1 | 176.6 | 72.9 | 0 | 0 | 0 | 0 | 112.7 | L173 R174 A175 Q179 L189 | L173-S177 PolarHBondContact O-N 2.95Å; R174-S177 PolarHBondContact O-N 2.94Å; R174-S177 PolarHBondContact O-OG 3.39Å; A175-S177 PolarHBondContact O-N 3.33Å; S177-Q179 PolarHBondContact O-N 2.92Å; S177-L189 VanDerWaalsContact OG-CD2 3.25Å; S177-L189 WeakPolarHBondContact OG-CD2 3.21Å |
| 178 | Y | 89.3 | Confident | 91.7 | Very high | 141 Ų | 141 | 49.7 Ų | 49.7 | 55% | 0.553 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 136.8 | -179.2 | -69.8 | -65.5 | 0 | 0 | 0 | 111.3 | A175 Q180 | A175-Y178 VanDerWaalsContact O-CD2 3.28Å; A175-Y178 WeakPolarHBondContact O-CD2 3.26Å; A175-Y178 PolarHBondContact O-N 2.87Å; Y178-Q180 PolarHBondContact O-N 3.15Å; Y178-Q180 VanDerWaalsContact O-N 3.14Å |
| 179 | Q | 82.9 | Confident | 91.6 | Very high | 197 Ų | 197 | 49.2 Ų | 49.2 | 92% | 0.921 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 22.9 | 176.1 | -58.2 | -179.4 | -10.6 | 0 | 0 | 115.2 | S177 | S177-Q179 PolarHBondContact O-N 2.92Š|
| 180 | Q | 84.9 | Confident | 91.6 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | trans | -88.2 | 159.6 | 171.5 | -60.7 | -57 | -64.5 | 0 | 0 | 111.1 | Y128 Q176 Y178 T184 E185 | Y128-Q180 PolarHBondContact OH-NE2 3.2Å; Q176-Q180 VanDerWaalsContact O-CG 3.27Å; Q176-Q180 WeakPolarHBondContact O-CG 3.32Å; Y178-Q180 PolarHBondContact O-N 3.15Å; Y178-Q180 VanDerWaalsContact O-N 3.14Å; Q180-T184 HydrophobicContact CB-CG2 3.95Å; Q180-T184 HydrophobicContact CG-CG2 4.14Å; Q180-E185 HydrophobicContact CB-CB 4.24Å | ||
| 181 | P | 86.3 | Confident | 91.6 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 23% | 0.234 | 24% | 0.241 | C | C | . | . | trans | -58.7 | 152.1 | 169.3 | -22.9 | 34.4 | 0 | 0 | 0 | 111.8 | I183 T184 E185 E260 | P181-I183 VanDerWaalsContact C-N 3.28Å; P181-I183 PolarHBondContact O-N 2.9Å; P181-I183 VanDerWaalsContact O-N 3.08Å; P181-T184 PolarHBondContact O-N 3.3Å; P181-E185 PolarHBondContact O-N 3.14Å; P181-E260 HydrophobicContact CB-CB 3.42Å; P181-E260 VanDerWaalsContact CB-CB 3.42Å; P181-E260 HydrophobicContact CB-CG 4.24Å; P181-E260 WeakPolarHBondContact CB-OE2 3.36Å; P181-E260 HydrophobicContact CG-CB 4.3Å; P181-E260 VanDerWaalsContact CG-OE2 3.25Å; P181-E260 WeakPolarHBondContact CG-OE2 3.31Å | ||
| 182 | H | 88.2 | Confident | 91.6 | Very high | 103 Ų | 103 | 42.7 Ų | 42.7 | 48% | 0.477 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -54.7 | -37.6 | -166.2 | -67 | -60.1 | 0 | 0 | 0 | 114.7 | T186 E260 V266 | H182-T186 WeakPolarHBondContact O-CB 3.39Å; H182-T186 PolarHBondContact O-N 3.42Å; H182-T186 PolarHBondContact O-OG1 3.01Å; H182-E260 PolarHBondContact N-O 3.11Å; H182-V266 HydrophobicContact CB-CG2 3.78Å |
| 183 | I | 89.3 | Confident | 91.7 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.6 | -47.9 | 177.9 | -57.5 | -178.5 | 0 | 0 | 0 | 111 | P181 E185 T186 C187 L250 W258 N259 K265 V266 | P181-I183 VanDerWaalsContact C-N 3.28Å; P181-I183 PolarHBondContact O-N 2.9Å; P181-I183 VanDerWaalsContact O-N 3.08Å; I183-E185 VanDerWaalsContact C-N 3.34Å; I183-E185 PolarHBondContact O-N 3.44Å; I183-T186 PolarHBondContact O-N 2.91Å; I183-C187 PolarHBondContact O-N 3.43Å; I183-C187 PolarHBondContact O-SG 3.27Å; I183-C187 VanDerWaalsContact O-SG 3.39Å; I183-L250 HydrophobicContact CG2-CD2 4.05Å; I183-W258 HydrophobicContact CD1-CB 3.96Å; I183-W258 HydrophobicContact CD1-CE3 4.12Å; I183-N259 WeakPolarHBondContact CD1-O 3.39Å; I183-K265 HydrophobicContact CD1-CB 3.45Å; I183-K265 VanDerWaalsContact CD1-CB 3.45Å; I183-K265 HydrophobicContact CD1-CG 4.27Å; I183-K265 HydrophobicContact CG1-CB 4.26Å; I183-V266 HydrophobicContact CG1-CG2 3.87Å |
| 184 | T | 89.9 | Confident | 91.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 178.6 | -65.2 | 0 | 0 | 0 | 0 | 111.3 | Q180 P181 C187 R188 L250 E260 | Q180-T184 HydrophobicContact CB-CG2 3.95Å; Q180-T184 HydrophobicContact CG-CG2 4.14Å; P181-T184 PolarHBondContact O-N 3.3Å; T184-C187 PolarHBondContact O-N 3.25Å; T184-R188 WeakPolarHBondContact O-CB 3.31Å; T184-R188 WeakPolarHBondContact O-CG 3.48Å; T184-R188 PolarHBondContact O-N 2.86Å; T184-L250 HydrophobicContact CG2-CD1 4.37Å; T184-L250 WeakPolarHBondContact OG1-CD2 3.29Å; T184-E260 PolarHBondContact OG1-OE2 3.48Å |
| 185 | E | 91.5 | Very high | 92 | Very high | 62 Ų | 62 | 43.8 Ų | 43.8 | 29% | 0.29 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56.3 | -53.2 | 172.8 | 179 | 179.3 | -163.4 | 0 | 0 | 110.7 | Q180 P181 I183 C187 R188 L189 | Q180-E185 HydrophobicContact CB-CB 4.24Å; P181-E185 PolarHBondContact O-N 3.14Å; I183-E185 VanDerWaalsContact C-N 3.34Å; I183-E185 PolarHBondContact O-N 3.44Å; E185-C187 PolarHBondContact O-N 2.89Å; E185-R188 PolarHBondContact O-N 3.47Å; E185-L189 HydrophobicContact CG-CD1 3.98Å; E185-L189 HydrophobicContact CG-CG 4.39Å; E185-L189 WeakPolarHBondContact O-CB 3.32Å; E185-L189 VanDerWaalsContact O-CG 3.31Å; E185-L189 WeakPolarHBondContact O-CG 3.25Å; E185-L189 PolarHBondContact O-N 2.78Å |
| 186 | T | 93 | Very high | 92.2 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 16% | 0.16 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.7 | -47.1 | -178.7 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | H182 I183 R188 L189 L190 V266 T270 | H182-T186 WeakPolarHBondContact O-CB 3.39Å; H182-T186 PolarHBondContact O-N 3.42Å; H182-T186 PolarHBondContact O-OG1 3.01Å; I183-T186 PolarHBondContact O-N 2.91Å; T186-R188 PolarHBondContact O-N 3.36Å; T186-L189 PolarHBondContact O-N 2.96Å; T186-L190 HydrophobicContact CG2-CD1 4.04Å; T186-L190 HydrophobicContact CG2-CG 4.43Å; T186-L190 WeakPolarHBondContact O-CB 3.5Å; T186-L190 VanDerWaalsContact O-CG 3.3Å; T186-L190 WeakPolarHBondContact O-CG 3.39Å; T186-L190 PolarHBondContact O-N 3.23Å; T186-V266 HydrophobicContact CG2-CG1 4.15Å; T186-V266 WeakPolarHBondContact OG1-CG1 3.23Å; T186-T270 HydrophobicContact CG2-CG2 4.26Å |
| 187 | C | 93.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -46.4 | 178.3 | -74.4 | 0 | 0 | 0 | 0 | 112.2 | I183 T184 E185 L190 I191 T246 L250 | I183-C187 PolarHBondContact O-N 3.43Å; I183-C187 PolarHBondContact O-SG 3.27Å; I183-C187 VanDerWaalsContact O-SG 3.39Å; T184-C187 PolarHBondContact O-N 3.25Å; E185-C187 PolarHBondContact O-N 2.89Å; C187-L190 PolarHBondContact O-N 2.9Å; C187-I191 VanDerWaalsContact O-CG1 3.27Å; C187-I191 WeakPolarHBondContact O-CG1 3.46Å; C187-I191 PolarHBondContact O-N 3.47Å; C187-T246 HydrophobicContact CB-CG2 3.6Å; C187-L250 HydrophobicContact CB-CD1 4.39Å |
| 188 | R | 93.2 | Very high | 92.8 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 5% | 0.053 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66 | -38.3 | 179.2 | -71.1 | 178.7 | -175 | -164.4 | -0.2 | 112.1 | Q176 T184 E185 T186 I191 S192 | Q176-R188 WeakPolarHBondContact O-CD 3.46Å; Q176-R188 PolarHBondContact O-NH1 2.96Å; T184-R188 WeakPolarHBondContact O-CB 3.31Å; T184-R188 WeakPolarHBondContact O-CG 3.48Å; T184-R188 PolarHBondContact O-N 2.86Å; E185-R188 PolarHBondContact O-N 3.47Å; T186-R188 PolarHBondContact O-N 3.36Å; R188-I191 PolarHBondContact O-N 3.41Å; R188-S192 VanDerWaalsContact O-CB 3.26Å; R188-S192 WeakPolarHBondContact O-CB 3.44Å; R188-S192 PolarHBondContact O-N 3.44Å |
| 189 | L | 94.6 | Very high | 93.1 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | 174.2 | -73.3 | -177.7 | 0 | 0 | 0 | 112.3 | R174 S177 E185 T186 S192 Y193 | R174-L189 VanDerWaalsContact CD-CD2 3.5Å; S177-L189 VanDerWaalsContact OG-CD2 3.25Å; S177-L189 WeakPolarHBondContact OG-CD2 3.21Å; E185-L189 HydrophobicContact CG-CD1 3.98Å; E185-L189 HydrophobicContact CG-CG 4.39Å; E185-L189 WeakPolarHBondContact O-CB 3.32Å; E185-L189 VanDerWaalsContact O-CG 3.31Å; E185-L189 WeakPolarHBondContact O-CG 3.25Å; E185-L189 PolarHBondContact O-N 2.78Å; T186-L189 PolarHBondContact O-N 2.96Å; L189-S192 PolarHBondContact O-N 2.7Å; L189-Y193 HydrophobicContact CB-CE2 4.25Å; L189-Y193 WeakPolarHBondContact O-CD2 3.48Å; L189-Y193 PolarHBondContact O-N 3.27Å |
| 190 | L | 95.8 | Very high | 93.8 | Very high | 31 Ų | 31 | 33.6 Ų | 33.6 | 16% | 0.162 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 175.7 | -72.8 | 172.2 | 0 | 0 | 0 | 111.5 | T186 C187 S192 W194 W242 T269 F273 | T186-L190 HydrophobicContact CG2-CD1 4.04Å; T186-L190 HydrophobicContact CG2-CG 4.43Å; T186-L190 WeakPolarHBondContact O-CB 3.5Å; T186-L190 VanDerWaalsContact O-CG 3.3Å; T186-L190 WeakPolarHBondContact O-CG 3.39Å; T186-L190 PolarHBondContact O-N 3.23Å; C187-L190 PolarHBondContact O-N 2.9Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 2.89Å; L190-W194 VanDerWaalsContact O-CB 3.3Å; L190-W194 WeakPolarHBondContact O-CB 3.25Å; L190-W194 PolarHBondContact O-N 2.84Å; L190-W242 HydrophobicContact CD1-CZ2 3.98Å; L190-T269 HydrophobicContact CD1-CG2 4.36Å; L190-F273 HydrophobicContact CB-CD2 4.29Å; L190-F273 HydrophobicContact CB-CE2 4.02Å; L190-F273 HydrophobicContact CB-CZ 4.46Å; L190-F273 HydrophobicContact CD1-CB 4.2Å; L190-F273 HydrophobicContact CD1-CD2 4.04Å; L190-F273 HydrophobicContact CD1-CG 4.07Å; L190-F273 HydrophobicContact CD2-CD1 4.07Å; L190-F273 HydrophobicContact CD2-CD2 4.41Å; L190-F273 HydrophobicContact CD2-CE1 4.04Å; L190-F273 HydrophobicContact CD2-CE2 4.35Å; L190-F273 HydrophobicContact CD2-CG 4.26Å; L190-F273 HydrophobicContact CD2-CZ 4.17Å; L190-F273 HydrophobicContact CG-CD2 4.49Å |
| 191 | I | 96.2 | Very high | 94.2 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.051 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 176.2 | -60.5 | 162.2 | 0 | 0 | 0 | 110.5 | L173 C187 R188 W194 A195 H239 W242 I243 T246 | L173-I191 HydrophobicContact CD1-CB 3.77Å; L173-I191 HydrophobicContact CD1-CG2 3.2Å; C187-I191 VanDerWaalsContact O-CG1 3.27Å; C187-I191 WeakPolarHBondContact O-CG1 3.46Å; C187-I191 PolarHBondContact O-N 3.47Å; R188-I191 PolarHBondContact O-N 3.41Å; I191-W194 PolarHBondContact O-N 3.43Å; I191-A195 WeakPolarHBondContact O-CB 3.31Å; I191-A195 PolarHBondContact O-N 2.99Å; I191-H239 VanDerWaalsContact CG2-CE1 3.46Å; I191-H239 WeakPolarHBondContact CG2-CE1 3.37Å; I191-H239 PolarHBondContact O-CE1 3.04Å; I191-W242 VanDerWaalsContact CG1-CD1 3.49Å; I191-I243 HydrophobicContact CD1-CG1 4.27Å; I191-I243 HydrophobicContact CG1-CG1 4.32Å; I191-I243 HydrophobicContact CG2-CD1 4.17Å; I191-I243 HydrophobicContact CG2-CG1 3.8Å; I191-T246 HydrophobicContact CD1-CG2 3.87Å |
| 192 | S | 96.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.9 | -54 | 178.4 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | T170 R188 L189 L190 W194 A195 F196 | T170-S192 PolarHBondContact O-OG 2.94Å; T170-S192 PolarHBondContact OG1-O 2.9Å; R188-S192 VanDerWaalsContact O-CB 3.26Å; R188-S192 WeakPolarHBondContact O-CB 3.44Å; R188-S192 PolarHBondContact O-N 3.44Å; L189-S192 PolarHBondContact O-N 2.7Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 2.89Å; S192-W194 VanDerWaalsContact C-N 3.27Å; S192-W194 PolarHBondContact O-N 3.21Å; S192-A195 WeakPolarHBondContact O-CB 3.46Å; S192-A195 PolarHBondContact O-N 3.34Å; S192-F196 PolarHBondContact O-N 2.94Å; S192-F196 VanDerWaalsContact O-N 3.13Å |
| 193 | Y | 96.8 | Very high | 94.8 | Very high | 128 Ų | 128 | 28.1 Ų | 28.1 | 50% | 0.502 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -62.2 | -37 | 179.1 | -63.9 | -38.5 | 0 | 0 | 0 | 112 | R174 L189 F196 I197 | R174-Y193 PolarHBondContact NH1-OH 3.49Å; L189-Y193 HydrophobicContact CB-CE2 4.25Å; L189-Y193 WeakPolarHBondContact O-CD2 3.48Å; L189-Y193 PolarHBondContact O-N 3.27Å; Y193-F196 WeakPolarHBondContact O-CB 3.31Å; Y193-F196 PolarHBondContact O-N 2.85Å; Y193-I197 WeakPolarHBondContact O-CG1 3.43Å; Y193-I197 PolarHBondContact O-N 3.4Å |
| 194 | W | 97.3 | Very high | 94.9 | Very high | 25 Ų | 25 | 31.1 Ų | 31.1 | 10% | 0.095 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.2 | -38.9 | 176.7 | -161.9 | -91.4 | 0 | 0 | 0 | 112.6 | L190 I191 S192 F196 I197 V198 F234 T235 F238 H239 F273 M277 | L190-W194 VanDerWaalsContact O-CB 3.3Å; L190-W194 WeakPolarHBondContact O-CB 3.25Å; L190-W194 PolarHBondContact O-N 2.84Å; I191-W194 PolarHBondContact O-N 3.43Å; S192-W194 VanDerWaalsContact C-N 3.27Å; S192-W194 PolarHBondContact O-N 3.21Å; W194-F196 PolarHBondContact O-N 2.91Å; W194-I197 HydrophobicContact CD2-CD1 4.48Å; W194-I197 HydrophobicContact CE3-CD1 3.82Å; W194-I197 HydrophobicContact CZ3-CD1 4.09Å; W194-I197 CarbonylContact O-C 3.46Å; W194-I197 WeakPolarHBondContact O-CA 3.21Å; W194-I197 WeakPolarHBondContact O-CB 3.44Å; W194-I197 PolarHBondContact O-N 2.81Å; W194-V198 WeakPolarHBondContact O-CG2 3.44Å; W194-V198 PolarHBondContact O-N 3.47Å; W194-F234 AromaticContact CH2-CE1 3.82Å; W194-F234 HydrophobicContact CH2-CE1 3.82Å; W194-F234 HydrophobicContact CH2-CZ 4.37Å; W194-F234 HydrophobicContact CZ2-CD1 4.34Å; W194-F234 AromaticContact CZ2-CE1 3.74Å; W194-F234 HydrophobicContact CZ2-CE1 3.74Å; W194-F234 HydrophobicContact CZ2-CZ 4.32Å; W194-T235 HydrophobicContact CZ2-CG2 4.23Å; W194-T235 PolarHBondContact NE1-O 2.91Å; W194-F238 AromaticContact CD1-CD1 3.68Å; W194-F238 AromaticContact CD2-CD1 3.58Å; W194-F238 HydrophobicContact CD2-CD1 3.58Å; W194-F238 AromaticContact CD2-CE1 3.65Å; W194-F238 HydrophobicContact CD2-CE1 3.65Å; W194-F238 AromaticContact CE2-CD1 3.16Å; W194-F238 AromaticContact CE2-CE1 3.74Å; W194-F238 HydrophobicContact CE3-CD1 4.3Å; W194-F238 HydrophobicContact CE3-CE1 4.03Å; W194-F238 AromaticContact CG-CD1 3.87Å; W194-F238 HydrophobicContact CG-CD1 3.87Å; W194-F238 AromaticContact CG-CE1 3.95Å; W194-F238 HydrophobicContact CG-CE1 3.95Å; W194-F238 HydrophobicContact CH2-CD1 4.21Å; W194-F238 HydrophobicContact CH2-CE1 4.41Å; W194-F238 HydrophobicContact CZ2-CB 4.14Å; W194-F238 AromaticContact CZ2-CD1 3.5Å; W194-F238 HydrophobicContact CZ2-CD1 3.5Å; W194-F238 HydrophobicContact CZ2-CE1 4.11Å; W194-F238 AromaticContact CZ2-CG 3.97Å; W194-F238 HydrophobicContact CZ2-CG 3.97Å; W194-F238 HydrophobicContact CZ3-CE1 4.4Å; W194-F238 AromaticContact NE1-CD1 3.28Å; W194-F238 VanDerWaalsContact NE1-CD1 3.28Å; W194-H239 AromaticContact CD1-ND1 3.69Å; W194-F273 HydrophobicContact CD2-CZ 4.49Å; W194-F273 AromaticContact CE3-CZ 3.96Å; W194-F273 HydrophobicContact CE3-CZ 3.96Å; W194-M277 HydrophobicContact CE3-SD 4.3Å; W194-M277 HydrophobicContact CH2-CG 4.29Å; W194-M277 HydrophobicContact CH2-SD 3.53Å; W194-M277 VanDerWaalsContact CH2-SD 3.53Å; W194-M277 HydrophobicContact CZ3-CG 4.5Å; W194-M277 HydrophobicContact CZ3-SD 3.39Å; W194-M277 WeakPolarHBondContact CZ3-SD 3.44Å |
| 195 | A | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57 | -37.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F166 Q169 T170 I191 S192 I197 V198 G199 | F166-A195 WeakPolarHBondContact CB-O 3.38Å; F166-A195 WeakPolarHBondContact O-CB 3.36Å; Q169-A195 HydrophobicContact CB-CB 4.48Å; T170-A195 WeakPolarHBondContact OG1-CB 3.26Å; I191-A195 WeakPolarHBondContact O-CB 3.31Å; I191-A195 PolarHBondContact O-N 2.99Å; S192-A195 WeakPolarHBondContact O-CB 3.46Å; S192-A195 PolarHBondContact O-N 3.34Å; A195-I197 PolarHBondContact O-N 3.24Å; A195-V198 WeakPolarHBondContact O-CB 3.25Å; A195-V198 PolarHBondContact O-N 3.45Å; A195-G199 PolarHBondContact O-N 3.37Å |
| 196 | F | 97.6 | Very high | 94.7 | Very high | 98 Ų | 98 | 31.4 Ų | 31.4 | 43% | 0.43 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.3 | -42 | 174.8 | -173.8 | -95.5 | 0 | 0 | 0 | 112 | F167 T170 S192 Y193 W194 V198 G199 S200 | F167-F196 HydrophobicContact CD1-CD2 4.03Å; F167-F196 HydrophobicContact CD1-CE2 4.31Å; F167-F196 AromaticContact CE1-CD2 3.91Å; F167-F196 HydrophobicContact CE1-CD2 3.91Å; F167-F196 AromaticContact CE1-CE2 3.95Å; F167-F196 HydrophobicContact CE1-CE2 3.95Å; T170-F196 HydrophobicContact CG2-CB 3.86Å; T170-F196 HydrophobicContact CG2-CD2 4.24Å; T170-F196 WeakPolarHBondContact OG1-CA 3.33Å; T170-F196 PolarHBondContact OG1-N 3.48Å; S192-F196 PolarHBondContact O-N 2.94Å; S192-F196 VanDerWaalsContact O-N 3.13Å; Y193-F196 WeakPolarHBondContact O-CB 3.31Å; Y193-F196 PolarHBondContact O-N 2.85Å; W194-F196 PolarHBondContact O-N 2.91Å; F196-V198 VanDerWaalsContact C-N 3.33Å; F196-G199 PolarHBondContact O-N 3.37Å; F196-S200 VanDerWaalsContact O-CB 3.3Å; F196-S200 WeakPolarHBondContact O-CB 3.5Å; F196-S200 PolarHBondContact O-N 2.91Å; F196-S200 PolarHBondContact O-OG 2.85Å |
| 197 | I | 97.3 | Very high | 94.4 | Very high | 77 Ų | 77 | 33.5 Ų | 33.5 | 40% | 0.395 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 174.8 | -64.3 | 169.5 | 0 | 0 | 0 | 110.4 | Y193 W194 A195 S200 S201 T235 | Y193-I197 WeakPolarHBondContact O-CG1 3.43Å; Y193-I197 PolarHBondContact O-N 3.4Å; W194-I197 HydrophobicContact CD2-CD1 4.48Å; W194-I197 HydrophobicContact CE3-CD1 3.82Å; W194-I197 HydrophobicContact CZ3-CD1 4.09Å; W194-I197 CarbonylContact O-C 3.46Å; W194-I197 WeakPolarHBondContact O-CA 3.21Å; W194-I197 WeakPolarHBondContact O-CB 3.44Å; W194-I197 PolarHBondContact O-N 2.81Å; A195-I197 PolarHBondContact O-N 3.24Å; I197-S200 PolarHBondContact O-N 3.43Å; I197-S201 WeakPolarHBondContact O-CB 3.39Å; I197-S201 PolarHBondContact O-N 2.92Å; I197-S201 PolarHBondContact O-OG 2.86Å; I197-T235 HydrophobicContact CG2-CG2 3.85Å |
| 198 | V | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.3 | -54.5 | 175.1 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | F166 W194 A195 F196 S200 S201 I202 T235 V236 H239 | F166-V198 HydrophobicContact CB-CB 4.34Å; F166-V198 HydrophobicContact CB-CG1 4.32Å; F166-V198 HydrophobicContact CD1-CB 3.95Å; F166-V198 HydrophobicContact CD1-CG1 3.49Å; F166-V198 VanDerWaalsContact CD1-CG1 3.49Å; F166-V198 HydrophobicContact CD2-CG1 3.76Å; F166-V198 HydrophobicContact CE1-CB 4.44Å; F166-V198 HydrophobicContact CE1-CG1 3.6Å; F166-V198 HydrophobicContact CE2-CG1 3.85Å; F166-V198 HydrophobicContact CG-CB 4.07Å; F166-V198 HydrophobicContact CG-CG1 3.57Å; F166-V198 HydrophobicContact CZ-CG1 3.77Å; W194-V198 WeakPolarHBondContact O-CG2 3.44Å; W194-V198 PolarHBondContact O-N 3.47Å; A195-V198 WeakPolarHBondContact O-CB 3.25Å; A195-V198 PolarHBondContact O-N 3.45Å; F196-V198 VanDerWaalsContact C-N 3.33Å; V198-S200 VanDerWaalsContact C-N 3.29Å; V198-S200 PolarHBondContact O-N 3.1Å; V198-S201 PolarHBondContact O-N 2.9Å; V198-S201 VanDerWaalsContact O-N 3.09Å; V198-S201 PolarHBondContact O-OG 3.29Å; V198-I202 HydrophobicContact CG1-CD1 4.23Å; V198-I202 WeakPolarHBondContact O-CG1 3.49Å; V198-I202 PolarHBondContact O-N 3.49Å; V198-I202 VanDerWaalsContact O-N 3.13Å; V198-T235 WeakPolarHBondContact CG2-O 3.5Å; V198-V236 HydrophobicContact CG1-CG2 3.62Å; V198-H239 HydrophobicContact CG2-CB 3.8Å |
| 199 | G | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.8 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | A195 F196 S201 I202 L203 | A195-G199 PolarHBondContact O-N 3.37Å; F196-G199 PolarHBondContact O-N 3.37Å; G199-S201 PolarHBondContact O-N 2.98Å; G199-I202 PolarHBondContact O-N 2.99Å; G199-L203 PolarHBondContact O-N 3Å; G199-L203 VanDerWaalsContact O-N 3.17Å |
| 200 | S | 95.8 | Very high | 92.4 | Very high | 31 Ų | 31 | 43.7 Ų | 43.7 | 22% | 0.217 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 112.5 | F196 I197 V198 I202 L203 N204 | F196-S200 VanDerWaalsContact O-CB 3.3Å; F196-S200 WeakPolarHBondContact O-CB 3.5Å; F196-S200 PolarHBondContact O-N 2.91Å; F196-S200 PolarHBondContact O-OG 2.85Å; I197-S200 PolarHBondContact O-N 3.43Å; V198-S200 VanDerWaalsContact C-N 3.29Å; V198-S200 PolarHBondContact O-N 3.1Å; S200-I202 VanDerWaalsContact C-N 3.33Å; S200-I202 PolarHBondContact O-N 3.09Å; S200-L203 PolarHBondContact O-N 3.24Å; S200-N204 WeakPolarHBondContact O-CB 3.27Å; S200-N204 VanDerWaalsContact O-CG 3.27Å; S200-N204 PolarHBondContact O-N 3.35Å; S200-N204 PolarHBondContact O-ND2 3.49Å |
| 201 | S | 95 | Very high | 91.3 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 4% | 0.035 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -35.9 | 177.8 | 71.2 | 0 | 0 | 0 | 0 | 112.7 | I197 V198 G199 E205 T235 | I197-S201 WeakPolarHBondContact O-CB 3.39Å; I197-S201 PolarHBondContact O-N 2.92Å; I197-S201 PolarHBondContact O-OG 2.86Å; V198-S201 PolarHBondContact O-N 2.9Å; V198-S201 VanDerWaalsContact O-N 3.09Å; V198-S201 PolarHBondContact O-OG 3.29Å; G199-S201 PolarHBondContact O-N 2.98Å; S201-E205 PolarHBondContact O-N 3.15Å; S201-E205 VanDerWaalsContact O-N 3.12Å; S201-T235 PolarHBondContact OG-OG1 2.98Å |
| 202 | I | 93.8 | Very high | 90 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.5 | -45.4 | 175.1 | -64.2 | 167.1 | 0 | 0 | 0 | 110.5 | A163 F166 V198 G199 S200 E205 M206 K232 | A163-I202 HydrophobicContact CB-CB 4.23Å; A163-I202 HydrophobicContact CB-CG2 4.13Å; F166-I202 HydrophobicContact CD2-CD1 3.68Å; F166-I202 HydrophobicContact CE2-CD1 3.6Å; V198-I202 HydrophobicContact CG1-CD1 4.23Å; V198-I202 WeakPolarHBondContact O-CG1 3.49Å; V198-I202 PolarHBondContact O-N 3.49Å; V198-I202 VanDerWaalsContact O-N 3.13Å; G199-I202 PolarHBondContact O-N 2.99Å; S200-I202 VanDerWaalsContact C-N 3.33Å; S200-I202 PolarHBondContact O-N 3.09Å; I202-E205 PolarHBondContact O-N 3.48Å; I202-M206 PolarHBondContact O-N 3.39Å; I202-K232 HydrophobicContact CG1-CD 4.02Å; I202-K232 HydrophobicContact CG1-CG 3.97Å |
| 203 | L | 93.6 | Very high | 88.1 | Confident | 43 Ų | 43 | 53.2 Ų | 53.2 | 23% | 0.225 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 176.9 | -65.9 | -176.9 | 0 | 0 | 0 | 112.6 | M160 A163 F167 G199 S200 E205 M206 I207 | M160-L203 HydrophobicContact CG-CD2 4.21Å; A163-L203 HydrophobicContact CB-CD2 4.03Å; A163-L203 HydrophobicContact CB-CG 4.06Å; F167-L203 HydrophobicContact CE2-CD1 3.74Å; F167-L203 HydrophobicContact CE2-CG 4.31Å; F167-L203 HydrophobicContact CZ-CD1 3.77Å; F167-L203 HydrophobicContact CZ-CG 4.48Å; G199-L203 PolarHBondContact O-N 3Å; G199-L203 VanDerWaalsContact O-N 3.17Å; S200-L203 PolarHBondContact O-N 3.24Å; L203-E205 VanDerWaalsContact C-N 3.32Å; L203-E205 PolarHBondContact O-N 3.44Å; L203-M206 WeakPolarHBondContact O-CB 3.49Å; L203-M206 PolarHBondContact O-N 3.19Å; L203-M206 VanDerWaalsContact O-N 3.11Å; L203-I207 WeakPolarHBondContact O-CG1 3.4Å; L203-I207 PolarHBondContact O-N 2.88Å |
| 204 | N | 91.3 | Very high | 86.3 | Confident | 65 Ų | 65 | 53.7 Ų | 53.7 | 35% | 0.348 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 177.7 | -79.1 | -40.1 | 0 | 0 | 0 | 111.9 | S200 M206 I207 M208 W228 | S200-N204 WeakPolarHBondContact O-CB 3.27Å; S200-N204 VanDerWaalsContact O-CG 3.27Å; S200-N204 PolarHBondContact O-N 3.35Å; S200-N204 PolarHBondContact O-ND2 3.49Å; N204-M206 VanDerWaalsContact C-N 3.28Å; N204-M206 PolarHBondContact O-N 3.24Å; N204-I207 PolarHBondContact O-N 3.33Å; N204-M208 VanDerWaalsContact O-CB 3.29Å; N204-M208 WeakPolarHBondContact O-CB 3.35Å; N204-M208 WeakPolarHBondContact O-CG 3.28Å; N204-M208 PolarHBondContact O-N 2.88Å; N204-W228 HydrophobicContact CB-CE3 4.33Å; N204-W228 HydrophobicContact CB-CZ3 4.1Å |
| 205 | E | 88.7 | Confident | 84.2 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.5 | -42.3 | 172.3 | -179.2 | 179 | 151.7 | 0 | 0 | 111.4 | S201 I202 L203 N209 K232 | S201-E205 PolarHBondContact O-N 3.15Å; S201-E205 VanDerWaalsContact O-N 3.12Å; I202-E205 PolarHBondContact O-N 3.48Å; L203-E205 VanDerWaalsContact C-N 3.32Å; L203-E205 PolarHBondContact O-N 3.44Å; E205-N209 WeakPolarHBondContact CG-ND2 3.36Å; E205-N209 WeakPolarHBondContact O-CB 3.38Å; E205-N209 PolarHBondContact O-N 2.79Å; E205-N209 PolarHBondContact O-ND2 3.32Å; E205-N209 VanDerWaalsContact O-ND2 3.1Å; E205-K232 IonicContact OE1-NZ 3.72Å; E205-K232 PolarHBondContact OE1-NZ 3.25Å; E205-K232 WeakPolarHBondContact OE2-CD 3.06Å; E205-K232 WeakPolarHBondContact OE2-CE 3.46Å; E205-K232 IonicContact OE2-NZ 2.68Å; E205-K232 PolarHBondContact OE2-NZ 3.03Å |
| 206 | M | 86.8 | Confident | 82 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 20% | 0.197 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.7 | -54.2 | 177.1 | -177.8 | -164 | 75.5 | 0 | 0 | 112 | G156 S159 I202 L203 N204 M208 N209 E210 | G156-M206 WeakPolarHBondContact CA-SD 3.45Å; G156-M206 VanDerWaalsContact O-SD 3.42Å; S159-M206 VanDerWaalsContact CB-SD 3.54Å; I202-M206 PolarHBondContact O-N 3.39Å; L203-M206 WeakPolarHBondContact O-CB 3.49Å; L203-M206 PolarHBondContact O-N 3.19Å; L203-M206 VanDerWaalsContact O-N 3.11Å; N204-M206 VanDerWaalsContact C-N 3.28Å; N204-M206 PolarHBondContact O-N 3.24Å; M206-M208 VanDerWaalsContact C-N 3.3Å; M206-M208 PolarHBondContact O-N 3.46Å; M206-N209 PolarHBondContact O-N 3.43Å; M206-N209 VanDerWaalsContact O-N 3.1Å; M206-E210 PolarHBondContact O-N 3.34Å |
| 207 | I | 87.2 | Confident | 79.7 | Confident | 69 Ų | 69 | 61 Ų | 61 | 35% | 0.354 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | -176.3 | -61.2 | 166.8 | 0 | 0 | 0 | 110.4 | L203 N204 N209 E210 N211 | L203-I207 WeakPolarHBondContact O-CG1 3.4Å; L203-I207 PolarHBondContact O-N 2.88Å; N204-I207 PolarHBondContact O-N 3.33Å; I207-N209 VanDerWaalsContact C-N 3.33Å; I207-N209 PolarHBondContact O-N 3.33Å; I207-E210 PolarHBondContact O-N 3.03Å; I207-N211 PolarHBondContact O-N 2.85Å; I207-N211 VanDerWaalsContact O-N 3.14Å; I207-N211 PolarHBondContact O-ND2 3.48Å |
| 208 | M | 83.2 | Confident | 77.3 | Confident | 65 Ų | 65 | 59.8 Ų | 59.8 | 32% | 0.32 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -72.7 | -26.4 | 178.9 | -65.5 | -64.2 | 104.3 | 0 | 0 | 113 | N204 M206 W228 | N204-M208 VanDerWaalsContact O-CB 3.29Å; N204-M208 WeakPolarHBondContact O-CB 3.35Å; N204-M208 WeakPolarHBondContact O-CG 3.28Å; N204-M208 PolarHBondContact O-N 2.88Å; M206-M208 VanDerWaalsContact C-N 3.3Å; M206-M208 PolarHBondContact O-N 3.46Å; M208-W228 HydrophobicContact CG-CD2 4.38Å; M208-W228 HydrophobicContact CG-CZ2 4.03Å; M208-W228 HydrophobicContact SD-CZ2 4.45Å |
| 209 | N | 77.9 | Confident | 75.1 | Confident | 59 Ų | 59 | 64.1 Ų | 64.1 | 32% | 0.316 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -78.3 | -32.1 | 173.3 | -74.5 | -22.2 | 0 | 0 | 0 | 112.3 | E205 M206 I207 K212 | E205-N209 WeakPolarHBondContact CG-ND2 3.36Å; E205-N209 WeakPolarHBondContact O-CB 3.38Å; E205-N209 PolarHBondContact O-N 2.79Å; E205-N209 PolarHBondContact O-ND2 3.32Å; E205-N209 VanDerWaalsContact O-ND2 3.1Å; M206-N209 PolarHBondContact O-N 3.43Å; M206-N209 VanDerWaalsContact O-N 3.1Å; I207-N209 VanDerWaalsContact C-N 3.33Å; I207-N209 PolarHBondContact O-N 3.33Å; N209-K212 PolarHBondContact O-N 2.9Å; N209-K212 PolarHBondContact OD1-NZ 3.28Å |
| 210 | E | 77.9 | Confident | 72.9 | Confident | 132 Ų | 132 | 68.4 Ų | 68.4 | 62% | 0.617 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -69.3 | -40.3 | 175.5 | -174.6 | 171.2 | -164.1 | 0 | 0 | 112.1 | M206 I207 K212 | M206-E210 PolarHBondContact O-N 3.34Å; I207-E210 PolarHBondContact O-N 3.03Å; E210-K212 PolarHBondContact O-N 2.89Å; E210-K212 VanDerWaalsContact O-N 3.1Å |
| 211 | N | 72.7 | Confident | 70.8 | Confident | 113 Ų | 113 | 69.3 Ų | 69.3 | 60% | 0.604 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -11.3 | 178.1 | -71.7 | -21.2 | 0 | 0 | 0 | 113.8 | I207 S213 | I207-N211 PolarHBondContact O-N 2.85Å; I207-N211 VanDerWaalsContact O-N 3.14Å; I207-N211 PolarHBondContact O-ND2 3.48Å; N211-S213 VanDerWaalsContact C-N 3.31Å; N211-S213 PolarHBondContact O-N 3.11Å |
| 212 | K | 68.9 | Low | 69.1 | Low | 59 Ų | 59 | 72.5 Ų | 72.5 | 26% | 0.257 | 44% | 0.439 | S | S | . | . | trans | -75.1 | 86.7 | 172.1 | -70.3 | 171.3 | -173.8 | 157.2 | 0 | 109.2 | N209 E210 S225 | N209-K212 PolarHBondContact O-N 2.9Å; N209-K212 PolarHBondContact OD1-NZ 3.28Å; E210-K212 PolarHBondContact O-N 2.89Å; E210-K212 VanDerWaalsContact O-N 3.1Å; K212-S225 VanDerWaalsContact NZ-CB 3.31Å; K212-S225 PolarHBondContact NZ-OG 2.86Å | ||
| 213 | S | 56.2 | Low | 67.7 | Low | 71 Ų | 71 | 75.8 Ų | 75.8 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | trans | -57 | 136.5 | 170.3 | -82 | 0 | 0 | 0 | 0 | 110.8 | N211 S215 S216 | N211-S213 VanDerWaalsContact C-N 3.31Å; N211-S213 PolarHBondContact O-N 3.11Å; S213-S215 PolarHBondContact O-N 2.98Å; S213-S216 PolarHBondContact O-N 2.81Å; S213-S216 PolarHBondContact O-OG 3.3Å | ||
| 214 | P | 59.9 | Low | 66.4 | Low | 139 Ų | 139 | 76.7 Ų | 76.7 | 90% | 0.903 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -9.2 | -176.9 | 21.7 | -31.3 | 0 | 0 | 0 | 114.4 | ||
| 215 | S | 53.9 | Low | 65.7 | Low | 101 Ų | 101 | 75.2 Ų | 75.2 | 71% | 0.706 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -12.4 | -177.1 | 48.8 | 0 | 0 | 0 | 0 | 115.3 | S213 S217 | S213-S215 PolarHBondContact O-N 2.98Å; S215-S217 PolarHBondContact O-N 2.57Å |
| 216 | S | 50.1 | Low | 65.5 | Low | 66 Ų | 66 | 75.4 Ų | 75.4 | 46% | 0.462 | 47% | 0.469 | S | S | . | . | trans | -92.4 | 69.2 | 177.5 | 57.9 | 0 | 0 | 0 | 0 | 111.8 | S213 S218 | S213-S216 PolarHBondContact O-N 2.81Å; S213-S216 PolarHBondContact O-OG 3.3Å; S216-S218 PolarHBondContact O-N 3.45Å | ||
| 217 | S | 49.5 | Very low | 65.5 | Low | 109 Ų | 109 | 77.7 Ų | 77.7 | 76% | 0.762 | 48% | 0.482 | S | S | * | . | trans | -74.8 | 38.7 | 176.9 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | S215 | S215-S217 PolarHBondContact O-N 2.57Š| ||
| 218 | S | 47.8 | Very low | 65.5 | Low | 51 Ų | 51 | 78 Ų | 78 | 36% | 0.357 | 48% | 0.479 | S | S | . | . | trans | -103.9 | 121.8 | 175.7 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | S216 S220 S221 | S216-S218 PolarHBondContact O-N 3.45Å; S218-S220 PolarHBondContact O-N 3.28Å; S218-S221 PolarHBondContact O-N 2.85Å | ||
| 219 | S | 50.5 | Low | 65.8 | Low | 91 Ų | 91 | 76.5 Ų | 76.5 | 64% | 0.636 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -28.8 | -14.6 | 178.1 | 43.8 | 0 | 0 | 0 | 0 | 120.3 | S308 | S219-S308 PolarHBondContact OG-OG 3.49Š|
| 220 | S | 50.3 | Low | 66.5 | Low | 91 Ų | 91 | 76.7 Ų | 76.7 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -20.3 | 178.6 | -166.8 | 0 | 0 | 0 | 0 | 113.9 | S218 S222 S223 | S218-S220 PolarHBondContact O-N 3.28Å; S220-S222 VanDerWaalsContact C-N 3.28Å; S220-S222 PolarHBondContact O-N 2.93Å; S220-S223 PolarHBondContact O-N 3.18Å |
| 221 | S | 52.6 | Low | 67.2 | Low | 49 Ų | 49 | 72.7 Ų | 72.7 | 34% | 0.343 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.8 | -19.9 | -174.2 | -166.9 | 0 | 0 | 0 | 0 | 114.9 | S218 S223 S225 | S218-S221 PolarHBondContact O-N 2.85Å; S221-S223 PolarHBondContact O-N 3.38Å; S221-S225 PolarHBondContact O-N 3.19Å |
| 222 | S | 57.7 | Low | 68.2 | Low | 73 Ų | 73 | 68.8 Ų | 68.8 | 51% | 0.51 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.6 | -37.8 | -178.8 | -171.4 | 0 | 0 | 0 | 0 | 112.7 | S220 S225 L226 | S220-S222 VanDerWaalsContact C-N 3.28Å; S220-S222 PolarHBondContact O-N 2.93Å; S222-S225 PolarHBondContact O-N 3.5Å; S222-L226 PolarHBondContact O-N 3.45Å |
| 223 | S | 64.7 | Low | 69.4 | Low | 77 Ų | 77 | 66 Ų | 66 | 54% | 0.538 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.2 | -42.5 | -176.1 | -61 | 0 | 0 | 0 | 0 | 112.2 | S220 S221 S225 L226 L227 | S220-S223 PolarHBondContact O-N 3.18Å; S221-S223 PolarHBondContact O-N 3.38Å; S223-S225 VanDerWaalsContact C-N 3.28Å; S223-S225 PolarHBondContact O-N 3.32Å; S223-L226 PolarHBondContact O-N 2.87Å; S223-L227 PolarHBondContact O-N 3.02Å; S223-L227 VanDerWaalsContact O-N 3.12Å |
| 224 | S | 66.8 | Low | 71.3 | Confident | 61 Ų | 61 | 63.9 Ų | 63.9 | 43% | 0.427 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.4 | -34.7 | 178.1 | -53 | 0 | 0 | 0 | 0 | 111.8 | L227 W228 | S224-L227 PolarHBondContact O-N 3.4Å; S224-W228 PolarHBondContact O-N 3.36Å |
| 225 | S | 77.5 | Confident | 73.1 | Confident | 35 Ų | 35 | 57.4 Ų | 57.4 | 25% | 0.245 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 176.9 | -150.2 | 0 | 0 | 0 | 0 | 112.3 | K212 S221 S222 S223 I229 | K212-S225 VanDerWaalsContact NZ-CB 3.31Å; K212-S225 PolarHBondContact NZ-OG 2.86Å; S221-S225 PolarHBondContact O-N 3.19Å; S222-S225 PolarHBondContact O-N 3.5Å; S223-S225 VanDerWaalsContact C-N 3.28Å; S223-S225 PolarHBondContact O-N 3.32Å; S225-I229 WeakPolarHBondContact O-CD1 3.47Å; S225-I229 VanDerWaalsContact O-CG1 3.26Å; S225-I229 WeakPolarHBondContact O-CG1 3.27Å; S225-I229 PolarHBondContact O-N 2.86Å |
| 226 | L | 82.7 | Confident | 75.1 | Confident | 33 Ų | 33 | 52.6 Ų | 52.6 | 17% | 0.173 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.4 | -37.6 | 179.6 | -179.1 | 131.7 | 0 | 0 | 0 | 112.1 | S222 S223 W228 I229 W230 L288 | S222-L226 PolarHBondContact O-N 3.45Å; S223-L226 PolarHBondContact O-N 2.87Å; L226-W228 VanDerWaalsContact C-N 3.31Å; L226-W228 PolarHBondContact O-N 3.05Å; L226-I229 PolarHBondContact O-N 2.79Å; L226-W230 VanDerWaalsContact O-CB 3.28Å; L226-W230 WeakPolarHBondContact O-CB 3.28Å; L226-W230 PolarHBondContact O-N 2.85Å; L226-L288 HydrophobicContact CD2-CD1 4.45Å |
| 227 | L | 86.9 | Confident | 77.3 | Confident | 88 Ų | 88 | 50 Ų | 50 | 46% | 0.461 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.4 | -46.8 | 180 | -170.6 | 160 | 0 | 0 | 0 | 110.8 | S223 S224 W230 I231 | S223-L227 PolarHBondContact O-N 3.02Å; S223-L227 VanDerWaalsContact O-N 3.12Å; S224-L227 PolarHBondContact O-N 3.4Å; L227-W230 WeakPolarHBondContact O-CB 3.28Å; L227-W230 PolarHBondContact O-N 3.49Å; L227-I231 HydrophobicContact CD2-CD1 3.37Å; L227-I231 HydrophobicContact CD2-CG1 4.01Å; L227-I231 WeakPolarHBondContact O-CG1 3.29Å; L227-I231 PolarHBondContact O-N 3.46Å |
| 228 | W | 88.5 | Confident | 79.6 | Confident | 75 Ų | 75 | 44.9 Ų | 44.9 | 28% | 0.284 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 178.2 | -69.4 | 116.8 | 0 | 0 | 0 | 113.1 | N204 M208 S224 L226 W230 I231 K232 | N204-W228 HydrophobicContact CB-CE3 4.33Å; N204-W228 HydrophobicContact CB-CZ3 4.1Å; M208-W228 HydrophobicContact CG-CD2 4.38Å; M208-W228 HydrophobicContact CG-CZ2 4.03Å; M208-W228 HydrophobicContact SD-CZ2 4.45Å; S224-W228 PolarHBondContact O-N 3.36Å; L226-W228 VanDerWaalsContact C-N 3.31Å; L226-W228 PolarHBondContact O-N 3.05Å; W228-W230 VanDerWaalsContact C-N 3.29Å; W228-W230 PolarHBondContact O-N 3.45Å; W228-I231 HydrophobicContact CE3-CD1 4.11Å; W228-I231 HydrophobicContact CZ3-CD1 4.13Å; W228-I231 PolarHBondContact O-N 2.99Å; W228-K232 PolarHBondContact O-N 3.35Å |
| 229 | I | 89.3 | Confident | 81.9 | Confident | 33 Ų | 33 | 42.4 Ų | 42.4 | 17% | 0.169 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63 | -38.7 | 174.7 | -65.4 | 164.3 | 0 | 0 | 0 | 111 | A53 S225 L226 K232 C233 | A53-I229 HydrophobicContact CB-CG2 3.37Å; S225-I229 WeakPolarHBondContact O-CD1 3.47Å; S225-I229 VanDerWaalsContact O-CG1 3.26Å; S225-I229 WeakPolarHBondContact O-CG1 3.27Å; S225-I229 PolarHBondContact O-N 2.86Å; L226-I229 PolarHBondContact O-N 2.79Å; I229-K232 PolarHBondContact O-N 2.9Å; I229-C233 WeakPolarHBondContact O-CB 3.36Å; I229-C233 PolarHBondContact O-N 3.43Å; I229-C233 PolarHBondContact O-SG 3.26Å |
| 230 | W | 91.3 | Very high | 84.1 | Confident | 63 Ų | 63 | 38.1 Ų | 38.1 | 24% | 0.239 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.5 | -47.7 | 175.7 | 179.4 | 70.3 | 0 | 0 | 0 | 111.2 | W50 L226 L227 W228 K232 C233 F234 M281 | W50-W230 HydrophobicContact CH2-CB 4.22Å; W50-W230 AromaticContact CH2-CD1 3.35Å; W50-W230 HydrophobicContact CH2-CG 4.17Å; W50-W230 AromaticContact CZ2-CD1 3.93Å; W50-W230 HydrophobicContact CZ3-CB 3.99Å; W50-W230 AromaticContact CZ3-CD1 3.72Å; W50-W230 HydrophobicContact CZ3-CG 4.29Å; L226-W230 VanDerWaalsContact O-CB 3.28Å; L226-W230 WeakPolarHBondContact O-CB 3.28Å; L226-W230 PolarHBondContact O-N 2.85Å; L227-W230 WeakPolarHBondContact O-CB 3.28Å; L227-W230 PolarHBondContact O-N 3.49Å; W228-W230 VanDerWaalsContact C-N 3.29Å; W228-W230 PolarHBondContact O-N 3.45Å; W230-K232 PolarHBondContact O-N 3.41Å; W230-C233 PolarHBondContact O-N 3.38Å; W230-F234 VanDerWaalsContact O-CB 3.26Å; W230-F234 WeakPolarHBondContact O-CB 3.3Å; W230-F234 PolarHBondContact O-N 2.86Å; W230-M281 HydrophobicContact CH2-CG 3.81Å; W230-M281 HydrophobicContact CH2-SD 4.11Å; W230-M281 HydrophobicContact CZ2-CG 3.7Å |
| 231 | I | 93.6 | Very high | 86.3 | Confident | 48 Ų | 48 | 34.5 Ų | 34.5 | 25% | 0.246 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.5 | -48.1 | 175.1 | -69.5 | 177.9 | 0 | 0 | 0 | 110.5 | L227 W228 C233 F234 T235 | L227-I231 HydrophobicContact CD2-CD1 3.37Å; L227-I231 HydrophobicContact CD2-CG1 4.01Å; L227-I231 WeakPolarHBondContact O-CG1 3.29Å; L227-I231 PolarHBondContact O-N 3.46Å; W228-I231 HydrophobicContact CE3-CD1 4.11Å; W228-I231 HydrophobicContact CZ3-CD1 4.13Å; W228-I231 PolarHBondContact O-N 2.99Å; I231-C233 PolarHBondContact O-N 3.47Å; I231-F234 WeakPolarHBondContact O-CB 3.44Å; I231-F234 PolarHBondContact O-N 3.35Å; I231-T235 HydrophobicContact CG2-CG2 4.28Å; I231-T235 VanDerWaalsContact O-CG2 3.29Å; I231-T235 WeakPolarHBondContact O-CG2 3.32Å; I231-T235 PolarHBondContact O-N 2.92Å; I231-T235 PolarHBondContact O-OG1 3.19Å |
| 232 | K | 93.9 | Very high | 88.4 | Confident | 32 Ų | 32 | 32.2 Ų | 32.2 | 14% | 0.139 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58 | -48 | 177.2 | 177.9 | -172.3 | 65.2 | -164.7 | 0 | 111.8 | W49 I202 E205 W228 I229 W230 F234 T235 V236 | W49-K232 HydrophobicContact CE3-CD 4.38Å; W49-K232 HydrophobicContact CZ3-CD 4.43Å; I202-K232 HydrophobicContact CG1-CD 4.02Å; I202-K232 HydrophobicContact CG1-CG 3.97Å; E205-K232 IonicContact OE1-NZ 3.72Å; E205-K232 PolarHBondContact OE1-NZ 3.25Å; E205-K232 WeakPolarHBondContact OE2-CD 3.06Å; E205-K232 WeakPolarHBondContact OE2-CE 3.46Å; E205-K232 IonicContact OE2-NZ 2.68Å; E205-K232 PolarHBondContact OE2-NZ 3.03Å; W228-K232 PolarHBondContact O-N 3.35Å; I229-K232 PolarHBondContact O-N 2.9Å; W230-K232 PolarHBondContact O-N 3.41Å; K232-F234 VanDerWaalsContact C-N 3.34Å; K232-F234 PolarHBondContact O-N 3Å; K232-T235 PolarHBondContact O-N 3.39Å; K232-T235 PolarHBondContact O-OG1 2.97Å; K232-V236 WeakPolarHBondContact O-CG2 3.39Å; K232-V236 PolarHBondContact O-N 3.03Å; K232-V236 VanDerWaalsContact O-N 3.15Å |
| 233 | C | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.7 | -37.9 | -178.4 | -64.3 | 0 | 0 | 0 | 0 | 111.3 | W50 I229 W230 I231 I237 Q284 | W50-C233 HydrophobicContact CB-CB 4.03Å; W50-C233 HydrophobicContact CD2-CB 4.22Å; W50-C233 HydrophobicContact CE3-CB 3.67Å; W50-C233 HydrophobicContact CG-CB 4.4Å; I229-C233 WeakPolarHBondContact O-CB 3.36Å; I229-C233 PolarHBondContact O-N 3.43Å; I229-C233 PolarHBondContact O-SG 3.26Å; W230-C233 PolarHBondContact O-N 3.38Å; I231-C233 PolarHBondContact O-N 3.47Å; C233-I237 WeakPolarHBondContact O-CB 3.35Å; C233-I237 VanDerWaalsContact O-CG1 3.26Å; C233-I237 WeakPolarHBondContact O-CG1 3.34Å; C233-I237 PolarHBondContact O-N 2.86Å; C233-Q284 VanDerWaalsContact C-NE2 3.28Å; C233-Q284 PolarHBondContact O-NE2 3.28Å |
| 234 | F | 96 | Very high | 91.6 | Very high | 27 Ų | 27 | 26.3 Ų | 26.3 | 12% | 0.118 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.3 | -54.1 | 172.7 | 173.7 | -108.3 | 0 | 0 | 0 | 111.8 | W194 W230 I231 K232 V236 I237 F238 M277 V280 M281 Q284 | W194-F234 AromaticContact CH2-CE1 3.82Å; W194-F234 HydrophobicContact CH2-CE1 3.82Å; W194-F234 HydrophobicContact CH2-CZ 4.37Å; W194-F234 HydrophobicContact CZ2-CD1 4.34Å; W194-F234 AromaticContact CZ2-CE1 3.74Å; W194-F234 HydrophobicContact CZ2-CE1 3.74Å; W194-F234 HydrophobicContact CZ2-CZ 4.32Å; W230-F234 VanDerWaalsContact O-CB 3.26Å; W230-F234 WeakPolarHBondContact O-CB 3.3Å; W230-F234 PolarHBondContact O-N 2.86Å; I231-F234 WeakPolarHBondContact O-CB 3.44Å; I231-F234 PolarHBondContact O-N 3.35Å; K232-F234 VanDerWaalsContact C-N 3.34Å; K232-F234 PolarHBondContact O-N 3Å; F234-V236 VanDerWaalsContact C-N 3.32Å; F234-V236 PolarHBondContact O-N 3.49Å; F234-I237 PolarHBondContact O-N 3.16Å; F234-F238 VanDerWaalsContact O-CB 3.28Å; F234-F238 WeakPolarHBondContact O-CB 3.49Å; F234-F238 PolarHBondContact O-N 3.35Å; F234-M277 HydrophobicContact CZ-CB 4.43Å; F234-V280 HydrophobicContact CD2-CG1 3.94Å; F234-V280 HydrophobicContact CE2-CB 4.18Å; F234-V280 HydrophobicContact CE2-CG1 3.94Å; F234-M281 HydrophobicContact CD2-CB 4.32Å; F234-M281 HydrophobicContact CE2-CB 3.8Å; F234-Q284 VanDerWaalsContact CB-OE1 3.24Å; F234-Q284 VanDerWaalsContact N-NE2 3.16Å |
| 235 | T | 96.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.6 | -43.6 | -176.9 | 56.2 | 0 | 0 | 0 | 0 | 110.8 | W194 I197 V198 S201 I231 K232 H239 | W194-T235 HydrophobicContact CZ2-CG2 4.23Å; W194-T235 PolarHBondContact NE1-O 2.91Å; I197-T235 HydrophobicContact CG2-CG2 3.85Å; V198-T235 WeakPolarHBondContact CG2-O 3.5Å; S201-T235 PolarHBondContact OG-OG1 2.98Å; I231-T235 HydrophobicContact CG2-CG2 4.28Å; I231-T235 VanDerWaalsContact O-CG2 3.29Å; I231-T235 WeakPolarHBondContact O-CG2 3.32Å; I231-T235 PolarHBondContact O-N 2.92Å; I231-T235 PolarHBondContact O-OG1 3.19Å; K232-T235 PolarHBondContact O-N 3.39Å; K232-T235 PolarHBondContact O-OG1 2.97Å; T235-H239 VanDerWaalsContact O-CB 3.24Å; T235-H239 WeakPolarHBondContact O-CB 3.19Å; T235-H239 PolarHBondContact O-N 2.94Å |
| 236 | V | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.9 | -46.1 | 179.9 | 178.1 | 0 | 0 | 0 | 0 | 112.5 | W49 F166 V198 K232 F234 H239 G240 | W49-V236 HydrophobicContact CE3-CG2 4.15Å; W49-V236 HydrophobicContact CZ3-CG1 4.41Å; W49-V236 HydrophobicContact CZ3-CG2 3.77Å; F166-V236 HydrophobicContact CZ-CG2 4.4Å; V198-V236 HydrophobicContact CG1-CG2 3.62Å; K232-V236 WeakPolarHBondContact O-CG2 3.39Å; K232-V236 PolarHBondContact O-N 3.03Å; K232-V236 VanDerWaalsContact O-N 3.15Å; F234-V236 VanDerWaalsContact C-N 3.32Å; F234-V236 PolarHBondContact O-N 3.49Å; V236-H239 WeakPolarHBondContact O-CB 3.4Å; V236-H239 PolarHBondContact O-N 3.43Å; V236-G240 PolarHBondContact O-N 3.22Å |
| 237 | I | 96.7 | Very high | 93.8 | Very high | 12 Ų | 12 | 23.4 Ų | 23.4 | 6% | 0.062 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.9 | -44 | 179.5 | -70.8 | 167.5 | 0 | 0 | 0 | 110.4 | L43 G46 L47 W50 C233 F234 H239 G240 S241 V280 Q284 | L43-I237 HydrophobicContact CD1-CG2 4.13Å; G46-I237 VanDerWaalsContact C-CG1 3.49Å; L47-I237 HydrophobicContact CD2-CD1 3.98Å; L47-I237 HydrophobicContact CG-CD1 4.28Å; L47-I237 HydrophobicContact CG-CG1 4.5Å; W50-I237 HydrophobicContact CB-CD1 4.26Å; C233-I237 WeakPolarHBondContact O-CB 3.35Å; C233-I237 VanDerWaalsContact O-CG1 3.26Å; C233-I237 WeakPolarHBondContact O-CG1 3.34Å; C233-I237 PolarHBondContact O-N 2.86Å; F234-I237 PolarHBondContact O-N 3.16Å; I237-H239 VanDerWaalsContact C-N 3.34Å; I237-G240 PolarHBondContact O-N 3.42Å; I237-S241 WeakPolarHBondContact O-CB 3.48Å; I237-S241 PolarHBondContact O-N 3.07Å; I237-S241 PolarHBondContact O-OG 3.46Å; I237-V280 HydrophobicContact CB-CG1 4.36Å; I237-V280 HydrophobicContact CG2-CG1 3.81Å; I237-Q284 HydrophobicContact CD1-CG 4.5Å |
| 238 | F | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 175 | 178.4 | -93.5 | 0 | 0 | 0 | 110.9 | W194 F234 G240 S241 W242 F273 H276 M277 V280 | W194-F238 AromaticContact CD1-CD1 3.68Å; W194-F238 AromaticContact CD2-CD1 3.58Å; W194-F238 HydrophobicContact CD2-CD1 3.58Å; W194-F238 AromaticContact CD2-CE1 3.65Å; W194-F238 HydrophobicContact CD2-CE1 3.65Å; W194-F238 AromaticContact CE2-CD1 3.16Å; W194-F238 AromaticContact CE2-CE1 3.74Å; W194-F238 HydrophobicContact CE3-CD1 4.3Å; W194-F238 HydrophobicContact CE3-CE1 4.03Å; W194-F238 AromaticContact CG-CD1 3.87Å; W194-F238 HydrophobicContact CG-CD1 3.87Å; W194-F238 AromaticContact CG-CE1 3.95Å; W194-F238 HydrophobicContact CG-CE1 3.95Å; W194-F238 HydrophobicContact CH2-CD1 4.21Å; W194-F238 HydrophobicContact CH2-CE1 4.41Å; W194-F238 HydrophobicContact CZ2-CB 4.14Å; W194-F238 AromaticContact CZ2-CD1 3.5Å; W194-F238 HydrophobicContact CZ2-CD1 3.5Å; W194-F238 HydrophobicContact CZ2-CE1 4.11Å; W194-F238 AromaticContact CZ2-CG 3.97Å; W194-F238 HydrophobicContact CZ2-CG 3.97Å; W194-F238 HydrophobicContact CZ3-CE1 4.4Å; W194-F238 AromaticContact NE1-CD1 3.28Å; W194-F238 VanDerWaalsContact NE1-CD1 3.28Å; F234-F238 VanDerWaalsContact O-CB 3.28Å; F234-F238 WeakPolarHBondContact O-CB 3.49Å; F234-F238 PolarHBondContact O-N 3.35Å; F238-G240 PolarHBondContact O-N 2.75Å; F238-S241 WeakPolarHBondContact CA-OG 3.16Å; F238-S241 PolarHBondContact O-N 3.41Å; F238-S241 PolarHBondContact O-OG 3.46Å; F238-W242 HydrophobicContact CE1-CB 4.19Å; F238-W242 HydrophobicContact CE1-CG 4.47Å; F238-W242 HydrophobicContact CZ-CB 4.23Å; F238-W242 HydrophobicContact CZ-CG 4.39Å; F238-W242 VanDerWaalsContact O-CB 3.28Å; F238-W242 WeakPolarHBondContact O-CB 3.39Å; F238-W242 PolarHBondContact O-N 3Å; F238-F273 HydrophobicContact CE1-CD2 4.18Å; F238-F273 HydrophobicContact CE1-CE1 4.44Å; F238-F273 AromaticContact CE1-CE2 3.39Å; F238-F273 HydrophobicContact CE1-CE2 3.39Å; F238-F273 AromaticContact CE1-CZ 3.53Å; F238-F273 HydrophobicContact CE1-CZ 3.53Å; F238-F273 AromaticContact CZ-CD2 3.66Å; F238-F273 HydrophobicContact CZ-CD2 3.66Å; F238-F273 HydrophobicContact CZ-CE1 4.28Å; F238-F273 AromaticContact CZ-CE2 3.34Å; F238-F273 HydrophobicContact CZ-CE2 3.34Å; F238-F273 HydrophobicContact CZ-CG 4.29Å; F238-F273 AromaticContact CZ-CZ 3.68Å; F238-F273 HydrophobicContact CZ-CZ 3.68Å; F238-H276 AromaticContact CD2-CD2 3.66Å; F238-H276 HydrophobicContact CE2-CB 3.97Å; F238-H276 AromaticContact CE2-CD2 3.49Å; F238-H276 VanDerWaalsContact CE2-CD2 3.49Å; F238-H276 WeakPolarHBondContact CE2-CD2 3.34Å; F238-H276 AromaticContact CE2-CG 3.99Å; F238-M277 HydrophobicContact CD1-CG 4.34Å; F238-M277 HydrophobicContact CD2-CB 4.24Å; F238-M277 HydrophobicContact CD2-CG 3.7Å; F238-M277 HydrophobicContact CE1-CG 3.83Å; F238-M277 HydrophobicContact CE1-SD 4.48Å; F238-M277 VanDerWaalsContact CE2-CA 3.49Å; F238-M277 HydrophobicContact CE2-CB 3.9Å; F238-M277 HydrophobicContact CE2-CG 3.17Å; F238-M277 VanDerWaalsContact CE2-N 3.29Å; F238-M277 HydrophobicContact CG-CG 4.25Å; F238-M277 HydrophobicContact CZ-CB 4.37Å; F238-M277 HydrophobicContact CZ-CG 3.2Å; F238-M277 HydrophobicContact CZ-SD 4.26Å; F238-V280 HydrophobicContact CB-CG1 4.15Å; F238-V280 HydrophobicContact CD2-CB 4.35Å; F238-V280 HydrophobicContact CD2-CG2 4.1Å |
| 239 | H | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.6 | -50.8 | 178.3 | -167.1 | 56.2 | 0 | 0 | 0 | 112.3 | F166 Q169 I191 W194 V198 T235 V236 I237 W242 I243 | F166-H239 AromaticContact CD1-CD2 3.93Å; F166-H239 AromaticContact CE1-CD2 3.87Å; Q169-H239 PolarHBondContact OE1-NE2 2.95Å; I191-H239 VanDerWaalsContact CG2-CE1 3.46Å; I191-H239 WeakPolarHBondContact CG2-CE1 3.37Å; I191-H239 PolarHBondContact O-CE1 3.04Å; W194-H239 AromaticContact CD1-ND1 3.69Å; V198-H239 HydrophobicContact CG2-CB 3.8Å; T235-H239 VanDerWaalsContact O-CB 3.24Å; T235-H239 WeakPolarHBondContact O-CB 3.19Å; T235-H239 PolarHBondContact O-N 2.94Å; V236-H239 WeakPolarHBondContact O-CB 3.4Å; V236-H239 PolarHBondContact O-N 3.43Å; I237-H239 VanDerWaalsContact C-N 3.34Å; H239-W242 PolarHBondContact O-N 3.43Å; H239-I243 VanDerWaalsContact O-CG1 3.28Å; H239-I243 WeakPolarHBondContact O-CG1 3.3Å; H239-I243 PolarHBondContact O-N 2.86Å; H239-I243 VanDerWaalsContact O-N 3.07Å |
| 240 | G | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G39 V236 I237 F238 W242 I243 C244 | G39-G240 CarbonylContact C-O 3.59Å; G39-G240 WeakPolarHBondContact CA-O 3.39Å; G39-G240 CarbonylContact O-C 3.47Å; G39-G240 WeakPolarHBondContact O-CA 3.46Å; V236-G240 PolarHBondContact O-N 3.22Å; I237-G240 PolarHBondContact O-N 3.42Å; F238-G240 PolarHBondContact O-N 2.75Å; G240-W242 PolarHBondContact O-N 3.49Å; G240-I243 PolarHBondContact O-N 3.42Å; G240-C244 PolarHBondContact O-N 3.37Å |
| 241 | S | 96.5 | Very high | 93.2 | Very high | 16 Ų | 16 | 18.7 Ų | 18.7 | 11% | 0.112 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.9 | -34.3 | 179.4 | 59 | 0 | 0 | 0 | 0 | 113.4 | I237 F238 C244 Q245 H276 | I237-S241 WeakPolarHBondContact O-CB 3.48Å; I237-S241 PolarHBondContact O-N 3.07Å; I237-S241 PolarHBondContact O-OG 3.46Å; F238-S241 WeakPolarHBondContact CA-OG 3.16Å; F238-S241 PolarHBondContact O-N 3.41Å; F238-S241 PolarHBondContact O-OG 3.46Å; S241-C244 WeakPolarHBondContact O-CB 3.49Å; S241-C244 PolarHBondContact O-N 2.83Å; S241-Q245 PolarHBondContact O-N 3.14Å; S241-H276 VanDerWaalsContact CB-NE2 3.32Å; S241-H276 WeakPolarHBondContact CB-NE2 3.31Å; S241-H276 PolarHBondContact OG-NE2 3.33Å |
| 242 | W | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.7 | -35.7 | 176.5 | -177.5 | -113.6 | 0 | 0 | 0 | 112.7 | L190 I191 F238 H239 G240 C244 Q245 T246 L249 T269 I272 F273 H276 | L190-W242 HydrophobicContact CD1-CZ2 3.98Å; I191-W242 VanDerWaalsContact CG1-CD1 3.49Å; F238-W242 HydrophobicContact CE1-CB 4.19Å; F238-W242 HydrophobicContact CE1-CG 4.47Å; F238-W242 HydrophobicContact CZ-CB 4.23Å; F238-W242 HydrophobicContact CZ-CG 4.39Å; F238-W242 VanDerWaalsContact O-CB 3.28Å; F238-W242 WeakPolarHBondContact O-CB 3.39Å; F238-W242 PolarHBondContact O-N 3Å; H239-W242 PolarHBondContact O-N 3.43Å; G240-W242 PolarHBondContact O-N 3.49Å; W242-C244 VanDerWaalsContact C-N 3.34Å; W242-Q245 HydrophobicContact CE3-CB 4.06Å; W242-Q245 HydrophobicContact CE3-CG 4.15Å; W242-Q245 HydrophobicContact CZ3-CB 4.37Å; W242-Q245 HydrophobicContact CZ3-CG 3.96Å; W242-Q245 PolarHBondContact O-N 3Å; W242-T246 PolarHBondContact NE1-OG1 2.89Å; W242-T246 WeakPolarHBondContact O-CB 3.43Å; W242-T246 PolarHBondContact O-N 3.28Å; W242-T246 PolarHBondContact O-OG1 3.39Å; W242-L249 HydrophobicContact CH2-CD1 4.19Å; W242-T269 HydrophobicContact CH2-CG2 4.27Å; W242-T269 HydrophobicContact CZ2-CG2 4.24Å; W242-I272 HydrophobicContact CZ3-CG2 4.12Å; W242-F273 AromaticContact CD1-CE2 3.82Å; W242-F273 AromaticContact CD2-CD2 3.53Å; W242-F273 HydrophobicContact CD2-CD2 3.53Å; W242-F273 AromaticContact CD2-CE2 3.98Å; W242-F273 HydrophobicContact CD2-CE2 3.98Å; W242-F273 AromaticContact CE2-CD2 3.35Å; W242-F273 AromaticContact CE2-CE2 3.89Å; W242-F273 AromaticContact CE3-CD2 3.87Å; W242-F273 HydrophobicContact CE3-CD2 3.87Å; W242-F273 HydrophobicContact CG-CD2 4.05Å; W242-F273 AromaticContact CG-CE2 3.99Å; W242-F273 HydrophobicContact CG-CE2 3.99Å; W242-F273 HydrophobicContact CH2-CB 3.72Å; W242-F273 AromaticContact CH2-CD2 3.9Å; W242-F273 HydrophobicContact CH2-CD2 3.9Å; W242-F273 HydrophobicContact CH2-CG 4.34Å; W242-F273 HydrophobicContact CZ2-CB 4.07Å; W242-F273 AromaticContact CZ2-CD2 3.57Å; W242-F273 HydrophobicContact CZ2-CD2 3.57Å; W242-F273 HydrophobicContact CZ2-CE2 4.47Å; W242-F273 HydrophobicContact CZ2-CG 4.29Å; W242-F273 HydrophobicContact CZ3-CB 4.05Å; W242-F273 HydrophobicContact CZ3-CD2 4.04Å; W242-F273 AromaticContact NE1-CD2 3.72Å; W242-F273 AromaticContact NE1-CE2 3.77Å; W242-H276 HydrophobicContact CE3-CB 4.37Å; W242-H276 HydrophobicContact CZ3-CB 4.48Å |
| 243 | I | 95.5 | Very high | 91.6 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 3% | 0.026 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 172.6 | -67.4 | 166 | 0 | 0 | 0 | 110.2 | S35 L38 L42 I191 H239 G240 T246 G247 | S35-I243 VanDerWaalsContact O-CG2 3.29Å; S35-I243 WeakPolarHBondContact O-CG2 3.38Å; L38-I243 HydrophobicContact CB-CG2 4.4Å; L38-I243 HydrophobicContact CD2-CD1 4.27Å; L38-I243 HydrophobicContact CD2-CG2 4.33Å; L38-I243 HydrophobicContact CG-CD1 4.35Å; L38-I243 HydrophobicContact CG-CG2 4.38Å; L42-I243 HydrophobicContact CD1-CD1 3.7Å; I191-I243 HydrophobicContact CD1-CG1 4.27Å; I191-I243 HydrophobicContact CG1-CG1 4.32Å; I191-I243 HydrophobicContact CG2-CD1 4.17Å; I191-I243 HydrophobicContact CG2-CG1 3.8Å; H239-I243 VanDerWaalsContact O-CG1 3.28Å; H239-I243 WeakPolarHBondContact O-CG1 3.3Å; H239-I243 PolarHBondContact O-N 2.86Å; H239-I243 VanDerWaalsContact O-N 3.07Å; G240-I243 PolarHBondContact O-N 3.42Å; I243-T246 PolarHBondContact O-N 2.85Å; I243-G247 PolarHBondContact O-N 2.93Å |
| 244 | C | 93.6 | Very high | 90.8 | Very high | 21 Ų | 21 | 27.5 Ų | 27.5 | 14% | 0.142 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.4 | -50 | 172.9 | -69.8 | 0 | 0 | 0 | 0 | 111.5 | G39 I40 G240 S241 W242 T246 G247 F248 | G39-C244 WeakPolarHBondContact CA-SG 3.34Å; I40-C244 PolarHBondContact N-SG 3.4Å; I40-C244 VanDerWaalsContact N-SG 3.39Å; G240-C244 PolarHBondContact O-N 3.37Å; S241-C244 WeakPolarHBondContact O-CB 3.49Å; S241-C244 PolarHBondContact O-N 2.83Å; W242-C244 VanDerWaalsContact C-N 3.34Å; C244-T246 VanDerWaalsContact C-N 3.29Å; C244-T246 PolarHBondContact O-N 3.47Å; C244-G247 WeakPolarHBondContact O-CA 3.3Å; C244-G247 PolarHBondContact O-N 3.49Å; C244-G247 VanDerWaalsContact O-N 3.08Å; C244-F248 VanDerWaalsContact O-CD2 3.24Å; C244-F248 WeakPolarHBondContact O-CD2 3.49Å; C244-F248 PolarHBondContact O-N 3.27Å; C244-F248 VanDerWaalsContact O-N 3.11Å |
| 245 | Q | 93.2 | Very high | 89.8 | Confident | 64 Ų | 64 | 31.3 Ų | 31.3 | 30% | 0.299 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.2 | -41.4 | -179.6 | -171.6 | 65 | 25.7 | 0 | 0 | 111.7 | S241 W242 G247 F248 L249 | S241-Q245 PolarHBondContact O-N 3.14Å; W242-Q245 HydrophobicContact CE3-CB 4.06Å; W242-Q245 HydrophobicContact CE3-CG 4.15Å; W242-Q245 HydrophobicContact CZ3-CB 4.37Å; W242-Q245 HydrophobicContact CZ3-CG 3.96Å; W242-Q245 PolarHBondContact O-N 3Å; Q245-G247 VanDerWaalsContact C-N 3.33Å; Q245-G247 PolarHBondContact O-N 3.37Å; Q245-F248 PolarHBondContact O-N 3.14Å; Q245-L249 HydrophobicContact CG-CD1 4.15Å; Q245-L249 WeakPolarHBondContact O-CG 3.33Å; Q245-L249 PolarHBondContact O-N 3.23Å |
| 246 | T | 91.5 | Very high | 88.7 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 175.2 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | C187 I191 W242 I243 C244 F248 L249 L250 | C187-T246 HydrophobicContact CB-CG2 3.6Å; I191-T246 HydrophobicContact CD1-CG2 3.87Å; W242-T246 PolarHBondContact NE1-OG1 2.89Å; W242-T246 WeakPolarHBondContact O-CB 3.43Å; W242-T246 PolarHBondContact O-N 3.28Å; W242-T246 PolarHBondContact O-OG1 3.39Å; I243-T246 PolarHBondContact O-N 2.85Å; C244-T246 VanDerWaalsContact C-N 3.29Å; C244-T246 PolarHBondContact O-N 3.47Å; T246-F248 VanDerWaalsContact C-N 3.32Å; T246-F248 PolarHBondContact O-N 3.47Å; T246-L249 PolarHBondContact O-N 3.21Å; T246-L250 HydrophobicContact CG2-CD1 3.6Å; T246-L250 HydrophobicContact CG2-CG 4.11Å; T246-L250 WeakPolarHBondContact O-CB 3.48Å; T246-L250 WeakPolarHBondContact O-CG 3.25Å; T246-L250 PolarHBondContact O-N 2.53Å |
| 247 | G | 89.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.8 | -46.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | I243 C244 Q245 N251 | I243-G247 PolarHBondContact O-N 2.93Å; C244-G247 WeakPolarHBondContact O-CA 3.3Å; C244-G247 PolarHBondContact O-N 3.49Å; C244-G247 VanDerWaalsContact O-N 3.08Å; Q245-G247 VanDerWaalsContact C-N 3.33Å; Q245-G247 PolarHBondContact O-N 3.37Å; G247-N251 CarbonylContact O-C 3.55Å; G247-N251 PolarHBondContact O-N 3Å |
| 248 | F | 88.4 | Confident | 86.5 | Confident | 84 Ų | 84 | 43.4 Ų | 43.4 | 37% | 0.368 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.9 | -35.7 | 176.2 | -76.2 | -74.2 | 0 | 0 | 0 | 113.6 | F32 C244 Q245 T246 S252 | F32-F248 HydrophobicContact CD2-CD1 4.25Å; F32-F248 HydrophobicContact CD2-CE1 4.46Å; F32-F248 HydrophobicContact CD2-CG 4.46Å; F32-F248 AromaticContact CE2-CD1 3.37Å; F32-F248 HydrophobicContact CE2-CD1 3.37Å; F32-F248 AromaticContact CE2-CD2 3.97Å; F32-F248 HydrophobicContact CE2-CD2 3.97Å; F32-F248 AromaticContact CE2-CE1 3.26Å; F32-F248 HydrophobicContact CE2-CE1 3.26Å; F32-F248 AromaticContact CE2-CE2 3.86Å; F32-F248 HydrophobicContact CE2-CE2 3.86Å; F32-F248 AromaticContact CE2-CG 3.72Å; F32-F248 HydrophobicContact CE2-CG 3.72Å; F32-F248 AromaticContact CE2-CZ 3.51Å; F32-F248 HydrophobicContact CE2-CZ 3.51Å; F32-F248 HydrophobicContact CZ-CD1 4.01Å; F32-F248 AromaticContact CZ-CE1 3.42Å; F32-F248 HydrophobicContact CZ-CE1 3.42Å; F32-F248 VanDerWaalsContact CZ-CE1 3.42Å; F32-F248 HydrophobicContact CZ-CE2 4.28Å; F32-F248 AromaticContact CZ-CZ 3.57Å; F32-F248 HydrophobicContact CZ-CZ 3.57Å; C244-F248 VanDerWaalsContact O-CD2 3.24Å; C244-F248 WeakPolarHBondContact O-CD2 3.49Å; C244-F248 PolarHBondContact O-N 3.27Å; C244-F248 VanDerWaalsContact O-N 3.11Å; Q245-F248 PolarHBondContact O-N 3.14Å; T246-F248 VanDerWaalsContact C-N 3.32Å; T246-F248 PolarHBondContact O-N 3.47Å; F248-S252 WeakPolarHBondContact O-CA 3.34Å; F248-S252 VanDerWaalsContact O-CB 3.26Å; F248-S252 WeakPolarHBondContact O-CB 3.49Å; F248-S252 PolarHBondContact O-N 3.07Å |
| 249 | L | 87.3 | Confident | 85.6 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.4 | -42.2 | 179.7 | -76.1 | 167.7 | 0 | 0 | 0 | 112.2 | W242 Q245 T246 W258 I272 | W242-L249 HydrophobicContact CH2-CD1 4.19Å; Q245-L249 HydrophobicContact CG-CD1 4.15Å; Q245-L249 WeakPolarHBondContact O-CG 3.33Å; Q245-L249 PolarHBondContact O-N 3.23Å; T246-L249 PolarHBondContact O-N 3.21Å; L249-W258 HydrophobicContact CD2-CE3 4.4Å; L249-W258 HydrophobicContact CD2-CH2 3.29Å; L249-W258 HydrophobicContact CD2-CZ2 3.46Å; L249-W258 VanDerWaalsContact CD2-CZ2 3.46Å; L249-W258 HydrophobicContact CD2-CZ3 3.83Å; L249-I272 HydrophobicContact CD2-CD1 4.45Å |
| 250 | L | 85.1 | Confident | 84.7 | Confident | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -85.2 | -33 | -174.7 | -65 | 178.6 | 0 | 0 | 0 | 113.2 | L31 I183 T184 C187 T246 | L31-L250 HydrophobicContact CD2-CB 3.8Å; L31-L250 HydrophobicContact CD2-CD1 3.75Å; L31-L250 HydrophobicContact CD2-CG 4.44Å; I183-L250 HydrophobicContact CG2-CD2 4.05Å; T184-L250 HydrophobicContact CG2-CD1 4.37Å; T184-L250 WeakPolarHBondContact OG1-CD2 3.29Å; C187-L250 HydrophobicContact CB-CD1 4.39Å; T246-L250 HydrophobicContact CG2-CD1 3.6Å; T246-L250 HydrophobicContact CG2-CG 4.11Å; T246-L250 WeakPolarHBondContact O-CB 3.48Å; T246-L250 WeakPolarHBondContact O-CG 3.25Å; T246-L250 PolarHBondContact O-N 2.53Å |
| 251 | N | 81.7 | Confident | 83.8 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -143.8 | 76 | 179.2 | -170.5 | -0.3 | 0 | 0 | 0 | 109.9 | N28 F32 G247 P253 | N28-N251 PolarHBondContact O-ND2 3.33Å; F32-N251 HydrophobicContact CB-CB 4.19Å; F32-N251 WeakPolarHBondContact CB-O 3.36Å; G247-N251 CarbonylContact O-C 3.55Å; G247-N251 PolarHBondContact O-N 3Å; N251-P253 WeakPolarHBondContact O-CD 3.34Å |
| 252 | S | 78.8 | Confident | 83.2 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | trans | -74 | 124.7 | 177.3 | -165.8 | 0 | 0 | 0 | 0 | 110.1 | F248 F254 N255 | F248-S252 WeakPolarHBondContact O-CA 3.34Å; F248-S252 VanDerWaalsContact O-CB 3.26Å; F248-S252 WeakPolarHBondContact O-CB 3.49Å; F248-S252 PolarHBondContact O-N 3.07Å; S252-F254 PolarHBondContact O-N 3.39Å; S252-F254 PolarHBondContact OG-N 3Å; S252-N255 PolarHBondContact OG-N 2.91Å | ||
| 253 | P | 75.5 | Confident | 82.8 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 48% | 0.481 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -70.4 | -11.7 | 172.7 | 27.6 | -32.9 | 0 | 0 | 0 | 112.9 | F32 N251 | F32-P253 HydrophobicContact CE1-CG 4.31Å; F32-P253 HydrophobicContact CZ-CG 4.38Å; N251-P253 WeakPolarHBondContact O-CD 3.34Å |
| 254 | F | 76.9 | Confident | 82.5 | Confident | 170 Ų | 170 | 68.6 Ų | 68.6 | 75% | 0.746 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -115.5 | -18.6 | -171.3 | -55 | -61 | 0 | 0 | 0 | 114.4 | S252 | S252-F254 PolarHBondContact O-N 3.39Å; S252-F254 PolarHBondContact OG-N 3Å |
| 255 | N | 75 | Confident | 82.3 | Confident | 106 Ų | 106 | 71.2 Ų | 71.2 | 57% | 0.567 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -126 | 151.5 | -174.7 | -70.2 | -54.5 | 0 | 0 | 0 | 110.6 | S252 S257 | S252-N255 PolarHBondContact OG-N 2.91Å; N255-S257 PolarHBondContact O-N 3Å |
| 256 | P | 73.8 | Confident | 82.1 | Confident | 113 Ų | 113 | 69.2 Ų | 69.2 | 73% | 0.734 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 139.4 | 170 | 24.4 | -32.7 | 0 | 0 | 0 | 109.8 | ||
| 257 | S | 71.5 | Confident | 82 | Confident | 92 Ų | 92 | 73.9 Ų | 73.9 | 64% | 0.643 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 141.6 | 175.9 | 48.5 | 0 | 0 | 0 | 0 | 110.1 | N255 | N255-S257 PolarHBondContact O-N 3Š|
| 258 | W | 76.2 | Confident | 82.1 | Confident | 64 Ų | 64 | 79.7 Ų | 79.7 | 24% | 0.242 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 143.8 | 177.2 | -73 | 15 | 0 | 0 | 0 | 109.6 | I183 L249 E260 K265 Y268 T269 I272 | I183-W258 HydrophobicContact CD1-CB 3.96Å; I183-W258 HydrophobicContact CD1-CE3 4.12Å; L249-W258 HydrophobicContact CD2-CE3 4.4Å; L249-W258 HydrophobicContact CD2-CH2 3.29Å; L249-W258 HydrophobicContact CD2-CZ2 3.46Å; L249-W258 VanDerWaalsContact CD2-CZ2 3.46Å; L249-W258 HydrophobicContact CD2-CZ3 3.83Å; W258-E260 PolarHBondContact O-N 3.35Å; W258-K265 HydrophobicContact CD2-CD 4.37Å; W258-K265 HydrophobicContact CE3-CB 3.96Å; W258-K265 HydrophobicContact CE3-CD 4.19Å; W258-K265 HydrophobicContact CE3-CG 4.44Å; W258-K265 HydrophobicContact CZ3-CB 4.41Å; W258-Y268 AromaticContact CH2-CD1 3.42Å; W258-Y268 HydrophobicContact CH2-CD1 3.42Å; W258-Y268 VanDerWaalsContact CH2-CD1 3.42Å; W258-Y268 AromaticContact CH2-CE1 3.76Å; W258-Y268 HydrophobicContact CH2-CE1 3.76Å; W258-Y268 HydrophobicContact CZ2-CD1 4.18Å; W258-Y268 HydrophobicContact CZ2-CE1 4.17Å; W258-Y268 HydrophobicContact CZ3-CD1 4.03Å; W258-T269 WeakPolarHBondContact CZ3-OG1 3.29Å; W258-I272 HydrophobicContact CH2-CD1 3.96Å |
| 259 | N | 78.6 | Confident | 82.3 | Confident | 100 Ų | 100 | 75.7 Ų | 75.7 | 54% | 0.535 | 39% | 0.388 | S | S | . | . | trans | -65.8 | 104 | 170.9 | -177.9 | 3.1 | 0 | 0 | 0 | 108.8 | I183 H261 D262 | I183-N259 WeakPolarHBondContact CD1-O 3.39Å; N259-H261 PolarHBondContact O-N 3.15Å; N259-H261 PolarHBondContact OD1-N 3.27Å; N259-D262 HydrophobicContact CB-CB 4.32Å; N259-D262 PolarHBondContact O-N 3.42Å; N259-D262 VanDerWaalsContact O-N 3.14Å | ||
| 260 | E | 77.9 | Confident | 82.6 | Confident | 17 Ų | 17 | 77.8 Ų | 77.8 | 8% | 0.079 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -8.4 | -171.4 | -57.1 | -170.9 | -133.2 | 0 | 0 | 114.7 | N26 N28 P181 H182 T184 W258 | N26-E260 PolarHBondContact ND2-OE1 3.09Å; N26-E260 VanDerWaalsContact ND2-OE1 3.17Å; N28-E260 PolarHBondContact ND2-OE1 3.32Å; P181-E260 HydrophobicContact CB-CB 3.42Å; P181-E260 VanDerWaalsContact CB-CB 3.42Å; P181-E260 HydrophobicContact CB-CG 4.24Å; P181-E260 WeakPolarHBondContact CB-OE2 3.36Å; P181-E260 HydrophobicContact CG-CB 4.3Å; P181-E260 VanDerWaalsContact CG-OE2 3.25Å; P181-E260 WeakPolarHBondContact CG-OE2 3.31Å; H182-E260 PolarHBondContact N-O 3.11Å; T184-E260 PolarHBondContact OG1-OE2 3.48Å; W258-E260 PolarHBondContact O-N 3.35Å |
| 261 | H | 77.7 | Confident | 83 | Confident | 135 Ų | 135 | 80.7 Ų | 80.7 | 63% | 0.625 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -5.3 | 179.5 | -59.2 | 85.8 | 0 | 0 | 0 | 113.6 | N259 H263 | N259-H261 PolarHBondContact O-N 3.15Å; N259-H261 PolarHBondContact OD1-N 3.27Å; H261-H263 PolarHBondContact O-N 2.96Å |
| 262 | D | 83.8 | Confident | 83.7 | Confident | 53 Ų | 53 | 79.6 Ų | 79.6 | 28% | 0.283 | 41% | 0.41 | S | S | . | . | trans | -83.2 | 117.1 | -177.3 | -174.3 | 1.7 | 0 | 0 | 0 | 111.1 | N259 D264 K265 V266 | N259-D262 HydrophobicContact CB-CB 4.32Å; N259-D262 PolarHBondContact O-N 3.42Å; N259-D262 VanDerWaalsContact O-N 3.14Å; D262-D264 PolarHBondContact O-N 2.68Å; D262-D264 PolarHBondContact OD1-N 3.35Å; D262-D264 VanDerWaalsContact OD1-N 3.13Å; D262-K265 HydrophobicContact CB-CB 4.38Å; D262-K265 HydrophobicContact CB-CG 3.78Å; D262-K265 WeakPolarHBondContact O-CB 3.46Å; D262-K265 PolarHBondContact O-N 3.08Å; D262-V266 PolarHBondContact O-N 2.92Å | ||
| 263 | H | 87.9 | Confident | 84.4 | Confident | 142 Ų | 142 | 79.5 Ų | 79.5 | 66% | 0.657 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.8 | -33.3 | -179.8 | -174.2 | 72.8 | 0 | 0 | 0 | 112.3 | H261 K265 V266 M267 | H261-H263 PolarHBondContact O-N 2.96Å; H263-K265 PolarHBondContact O-N 3.16Å; H263-V266 WeakPolarHBondContact O-CB 3.47Å; H263-V266 PolarHBondContact O-N 2.95Å; H263-V266 VanDerWaalsContact O-N 3.12Å; H263-M267 PolarHBondContact O-N 3.18Å |
| 264 | D | 89.2 | Confident | 85.4 | Confident | 103 Ų | 103 | 80.1 Ų | 80.1 | 55% | 0.551 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64 | -33.8 | 179.7 | -71.5 | -14.4 | 0 | 0 | 0 | 111.1 | D262 M267 Y268 | D262-D264 PolarHBondContact O-N 2.68Å; D262-D264 PolarHBondContact OD1-N 3.35Å; D262-D264 VanDerWaalsContact OD1-N 3.13Å; D264-M267 PolarHBondContact O-N 3.06Å; D264-Y268 WeakPolarHBondContact O-CB 3.12Å; D264-Y268 PolarHBondContact O-N 3.48Å |
| 265 | K | 88.4 | Confident | 86.3 | Confident | 76 Ų | 76 | 80.2 Ų | 80.2 | 33% | 0.33 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.3 | -36.5 | 176 | -58.3 | -61.8 | 178.4 | -174 | 0 | 112 | I183 W258 D262 H263 Y268 T269 | I183-K265 HydrophobicContact CD1-CB 3.45Å; I183-K265 VanDerWaalsContact CD1-CB 3.45Å; I183-K265 HydrophobicContact CD1-CG 4.27Å; I183-K265 HydrophobicContact CG1-CB 4.26Å; W258-K265 HydrophobicContact CD2-CD 4.37Å; W258-K265 HydrophobicContact CE3-CB 3.96Å; W258-K265 HydrophobicContact CE3-CD 4.19Å; W258-K265 HydrophobicContact CE3-CG 4.44Å; W258-K265 HydrophobicContact CZ3-CB 4.41Å; D262-K265 HydrophobicContact CB-CB 4.38Å; D262-K265 HydrophobicContact CB-CG 3.78Å; D262-K265 WeakPolarHBondContact O-CB 3.46Å; D262-K265 PolarHBondContact O-N 3.08Å; H263-K265 PolarHBondContact O-N 3.16Å; K265-Y268 PolarHBondContact O-N 3.39Å; K265-T269 PolarHBondContact O-N 3.1Å; K265-T269 PolarHBondContact O-OG1 3.01Å |
| 266 | V | 89.4 | Confident | 87.3 | Confident | 22 Ų | 22 | 76.5 Ų | 76.5 | 13% | 0.133 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 173.7 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | H182 I183 T186 D262 H263 Y268 T269 T270 | H182-V266 HydrophobicContact CB-CG2 3.78Å; I183-V266 HydrophobicContact CG1-CG2 3.87Å; T186-V266 HydrophobicContact CG2-CG1 4.15Å; T186-V266 WeakPolarHBondContact OG1-CG1 3.23Å; D262-V266 PolarHBondContact O-N 2.92Å; H263-V266 WeakPolarHBondContact O-CB 3.47Å; H263-V266 PolarHBondContact O-N 2.95Å; H263-V266 VanDerWaalsContact O-N 3.12Å; V266-Y268 VanDerWaalsContact C-N 3.33Å; V266-Y268 PolarHBondContact O-N 2.72Å; V266-T269 WeakPolarHBondContact O-CB 3.24Å; V266-T269 PolarHBondContact O-N 3.27Å; V266-T270 PolarHBondContact O-N 3.37Å |
| 267 | M | 90.4 | Very high | 88.3 | Confident | 102 Ų | 102 | 73.2 Ų | 73.2 | 50% | 0.502 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 176.1 | -175.4 | -179.7 | 66.1 | 0 | 0 | 110.9 | H263 D264 T269 T270 I271 | H263-M267 PolarHBondContact O-N 3.18Å; D264-M267 PolarHBondContact O-N 3.06Å; M267-T269 VanDerWaalsContact C-N 3.34Å; M267-T269 PolarHBondContact O-N 3.49Å; M267-T270 PolarHBondContact O-N 2.91Å; M267-T270 VanDerWaalsContact O-N 3.15Å; M267-T270 PolarHBondContact O-OG1 2.97Å; M267-I271 HydrophobicContact CG-CD1 4.26Å; M267-I271 PolarHBondContact O-N 3.34Å; M267-I271 VanDerWaalsContact O-N 3.15Å |
| 268 | Y | 91.8 | Very high | 89.5 | Confident | 122 Ų | 122 | 72.2 Ų | 72.2 | 48% | 0.478 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 178.6 | -172.4 | -113.3 | 0 | 0 | 0 | 113.1 | W258 D264 K265 V266 T270 I271 I272 | W258-Y268 AromaticContact CH2-CD1 3.42Å; W258-Y268 HydrophobicContact CH2-CD1 3.42Å; W258-Y268 VanDerWaalsContact CH2-CD1 3.42Å; W258-Y268 AromaticContact CH2-CE1 3.76Å; W258-Y268 HydrophobicContact CH2-CE1 3.76Å; W258-Y268 HydrophobicContact CZ2-CD1 4.18Å; W258-Y268 HydrophobicContact CZ2-CE1 4.17Å; W258-Y268 HydrophobicContact CZ3-CD1 4.03Å; D264-Y268 WeakPolarHBondContact O-CB 3.12Å; D264-Y268 PolarHBondContact O-N 3.48Å; K265-Y268 PolarHBondContact O-N 3.39Å; V266-Y268 VanDerWaalsContact C-N 3.33Å; V266-Y268 PolarHBondContact O-N 2.72Å; Y268-T270 VanDerWaalsContact C-N 3.31Å; Y268-T270 PolarHBondContact O-N 3.22Å; Y268-I271 PolarHBondContact O-N 3.14Å; Y268-I272 HydrophobicContact CD1-CD1 3.52Å; Y268-I272 HydrophobicContact CD1-CG1 4.28Å; Y268-I272 HydrophobicContact CE1-CD1 3.2Å; Y268-I272 HydrophobicContact CE1-CG1 3.95Å; Y268-I272 HydrophobicContact CE2-CG1 4.44Å; Y268-I272 HydrophobicContact CG-CD1 4.31Å; Y268-I272 WeakPolarHBondContact O-CG1 3.21Å; Y268-I272 PolarHBondContact O-N 3.3Å |
| 269 | T | 92 | Very high | 90.5 | Very high | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.6 | -43.8 | 173.2 | -64.1 | 0 | 0 | 0 | 0 | 111.9 | L190 W242 W258 K265 V266 M267 I271 I272 F273 | L190-T269 HydrophobicContact CD1-CG2 4.36Å; W242-T269 HydrophobicContact CH2-CG2 4.27Å; W242-T269 HydrophobicContact CZ2-CG2 4.24Å; W258-T269 WeakPolarHBondContact CZ3-OG1 3.29Å; K265-T269 PolarHBondContact O-N 3.1Å; K265-T269 PolarHBondContact O-OG1 3.01Å; V266-T269 WeakPolarHBondContact O-CB 3.24Å; V266-T269 PolarHBondContact O-N 3.27Å; M267-T269 VanDerWaalsContact C-N 3.34Å; M267-T269 PolarHBondContact O-N 3.49Å; T269-I271 VanDerWaalsContact C-N 3.35Å; T269-I271 PolarHBondContact O-N 3.04Å; T269-I272 PolarHBondContact O-N 3.39Å; T269-F273 WeakPolarHBondContact O-CB 3.48Å; T269-F273 PolarHBondContact O-N 3.46Å |
| 270 | T | 92.9 | Very high | 91.2 | Very high | 57 Ų | 57 | 71.7 Ų | 71.7 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.5 | -34.8 | 178.4 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | T186 V266 M267 Y268 F273 V274 | T186-T270 HydrophobicContact CG2-CG2 4.26Å; V266-T270 PolarHBondContact O-N 3.37Å; M267-T270 PolarHBondContact O-N 2.91Å; M267-T270 VanDerWaalsContact O-N 3.15Å; M267-T270 PolarHBondContact O-OG1 2.97Å; Y268-T270 VanDerWaalsContact C-N 3.31Å; Y268-T270 PolarHBondContact O-N 3.22Å; T270-F273 WeakPolarHBondContact O-CB 3.19Å; T270-F273 PolarHBondContact O-N 3.43Å; T270-V274 WeakPolarHBondContact O-CG2 3.41Å; T270-V274 PolarHBondContact O-N 2.87Å |
| 271 | I | 94.6 | Very high | 92 | Very high | 73 Ų | 73 | 74.4 Ų | 74.4 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 174.8 | -66 | 168.3 | 0 | 0 | 0 | 110.1 | M267 Y268 T269 F273 V274 W275 | M267-I271 HydrophobicContact CG-CD1 4.26Å; M267-I271 PolarHBondContact O-N 3.34Å; M267-I271 VanDerWaalsContact O-N 3.15Å; Y268-I271 PolarHBondContact O-N 3.14Å; T269-I271 VanDerWaalsContact C-N 3.35Å; T269-I271 PolarHBondContact O-N 3.04Å; I271-F273 VanDerWaalsContact C-N 3.29Å; I271-F273 PolarHBondContact O-N 3.24Å; I271-V274 PolarHBondContact O-N 3.48Å; I271-W275 PolarHBondContact O-N 3.39Å |
| 272 | I | 94.7 | Very high | 92.8 | Very high | 29 Ų | 29 | 72 Ų | 72 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 175.7 | -65.3 | 164.3 | 0 | 0 | 0 | 110.4 | W242 L249 W258 Y268 T269 V274 W275 H276 | W242-I272 HydrophobicContact CZ3-CG2 4.12Å; L249-I272 HydrophobicContact CD2-CD1 4.45Å; W258-I272 HydrophobicContact CH2-CD1 3.96Å; Y268-I272 HydrophobicContact CD1-CD1 3.52Å; Y268-I272 HydrophobicContact CD1-CG1 4.28Å; Y268-I272 HydrophobicContact CE1-CD1 3.2Å; Y268-I272 HydrophobicContact CE1-CG1 3.95Å; Y268-I272 HydrophobicContact CE2-CG1 4.44Å; Y268-I272 HydrophobicContact CG-CD1 4.31Å; Y268-I272 WeakPolarHBondContact O-CG1 3.21Å; Y268-I272 PolarHBondContact O-N 3.3Å; T269-I272 PolarHBondContact O-N 3.39Å; I272-V274 VanDerWaalsContact C-N 3.33Å; I272-V274 PolarHBondContact O-N 3.04Å; I272-W275 PolarHBondContact O-N 2.91Å; I272-H276 VanDerWaalsContact O-CB 3.25Å; I272-H276 WeakPolarHBondContact O-CB 3.1Å; I272-H276 PolarHBondContact O-N 2.97Å |
| 273 | F | 95.2 | Very high | 93.3 | Very high | 20 Ų | 20 | 71.6 Ų | 71.6 | 9% | 0.088 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -54.5 | -47.3 | 177.5 | -178 | -101.1 | 0 | 0 | 0 | 112.2 | L190 W194 F238 W242 T269 T270 I271 H276 M277 | L190-F273 HydrophobicContact CB-CD2 4.29Å; L190-F273 HydrophobicContact CB-CE2 4.02Å; L190-F273 HydrophobicContact CB-CZ 4.46Å; L190-F273 HydrophobicContact CD1-CB 4.2Å; L190-F273 HydrophobicContact CD1-CD2 4.04Å; L190-F273 HydrophobicContact CD1-CG 4.07Å; L190-F273 HydrophobicContact CD2-CD1 4.07Å; L190-F273 HydrophobicContact CD2-CD2 4.41Å; L190-F273 HydrophobicContact CD2-CE1 4.04Å; L190-F273 HydrophobicContact CD2-CE2 4.35Å; L190-F273 HydrophobicContact CD2-CG 4.26Å; L190-F273 HydrophobicContact CD2-CZ 4.17Å; L190-F273 HydrophobicContact CG-CD2 4.49Å; W194-F273 HydrophobicContact CD2-CZ 4.49Å; W194-F273 AromaticContact CE3-CZ 3.96Å; W194-F273 HydrophobicContact CE3-CZ 3.96Å; F238-F273 HydrophobicContact CE1-CD2 4.18Å; F238-F273 HydrophobicContact CE1-CE1 4.44Å; F238-F273 AromaticContact CE1-CE2 3.39Å; F238-F273 HydrophobicContact CE1-CE2 3.39Å; F238-F273 AromaticContact CE1-CZ 3.53Å; F238-F273 HydrophobicContact CE1-CZ 3.53Å; F238-F273 AromaticContact CZ-CD2 3.66Å; F238-F273 HydrophobicContact CZ-CD2 3.66Å; F238-F273 HydrophobicContact CZ-CE1 4.28Å; F238-F273 AromaticContact CZ-CE2 3.34Å; F238-F273 HydrophobicContact CZ-CE2 3.34Å; F238-F273 HydrophobicContact CZ-CG 4.29Å; F238-F273 AromaticContact CZ-CZ 3.68Å; F238-F273 HydrophobicContact CZ-CZ 3.68Å; W242-F273 AromaticContact CD1-CE2 3.82Å; W242-F273 AromaticContact CD2-CD2 3.53Å; W242-F273 HydrophobicContact CD2-CD2 3.53Å; W242-F273 AromaticContact CD2-CE2 3.98Å; W242-F273 HydrophobicContact CD2-CE2 3.98Å; W242-F273 AromaticContact CE2-CD2 3.35Å; W242-F273 AromaticContact CE2-CE2 3.89Å; W242-F273 AromaticContact CE3-CD2 3.87Å; W242-F273 HydrophobicContact CE3-CD2 3.87Å; W242-F273 HydrophobicContact CG-CD2 4.05Å; W242-F273 AromaticContact CG-CE2 3.99Å; W242-F273 HydrophobicContact CG-CE2 3.99Å; W242-F273 HydrophobicContact CH2-CB 3.72Å; W242-F273 AromaticContact CH2-CD2 3.9Å; W242-F273 HydrophobicContact CH2-CD2 3.9Å; W242-F273 HydrophobicContact CH2-CG 4.34Å; W242-F273 HydrophobicContact CZ2-CB 4.07Å; W242-F273 AromaticContact CZ2-CD2 3.57Å; W242-F273 HydrophobicContact CZ2-CD2 3.57Å; W242-F273 HydrophobicContact CZ2-CE2 4.47Å; W242-F273 HydrophobicContact CZ2-CG 4.29Å; W242-F273 HydrophobicContact CZ3-CB 4.05Å; W242-F273 HydrophobicContact CZ3-CD2 4.04Å; W242-F273 AromaticContact NE1-CD2 3.72Å; W242-F273 AromaticContact NE1-CE2 3.77Å; T269-F273 WeakPolarHBondContact O-CB 3.48Å; T269-F273 PolarHBondContact O-N 3.46Å; T270-F273 WeakPolarHBondContact O-CB 3.19Å; T270-F273 PolarHBondContact O-N 3.43Å; I271-F273 VanDerWaalsContact C-N 3.29Å; I271-F273 PolarHBondContact O-N 3.24Å; F273-H276 PolarHBondContact O-N 3.25Å; F273-M277 HydrophobicContact CD1-CE 3.77Å; F273-M277 HydrophobicContact CD1-SD 4.49Å; F273-M277 HydrophobicContact CE1-CE 3.68Å; F273-M277 HydrophobicContact CE1-SD 3.94Å; F273-M277 HydrophobicContact CZ-SD 4.46Å; F273-M277 PolarHBondContact O-N 3.41Å |
| 274 | V | 95.6 | Very high | 93.5 | Very high | 86 Ų | 86 | 65.1 Ų | 65.1 | 52% | 0.521 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 179 | 176.4 | 0 | 0 | 0 | 0 | 112 | T270 I271 I272 H276 M277 L278 | T270-V274 WeakPolarHBondContact O-CG2 3.41Å; T270-V274 PolarHBondContact O-N 2.87Å; I271-V274 PolarHBondContact O-N 3.48Å; I272-V274 VanDerWaalsContact C-N 3.33Å; I272-V274 PolarHBondContact O-N 3.04Å; V274-H276 VanDerWaalsContact C-N 3.3Å; V274-H276 PolarHBondContact O-N 3.48Å; V274-M277 HydrophobicContact CB-CE 4.27Å; V274-M277 HydrophobicContact CG2-CE 3.95Å; V274-M277 WeakPolarHBondContact O-CB 3.43Å; V274-M277 PolarHBondContact O-N 3.47Å; V274-L278 PolarHBondContact O-N 3.32Å; V274-L278 VanDerWaalsContact O-N 3.1Å |
| 275 | W | 96.8 | Very high | 93.6 | Very high | 172 Ų | 172 | 64.6 Ų | 64.6 | 65% | 0.652 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.6 | -36.6 | 175.9 | -85.1 | 103.7 | 0 | 0 | 0 | 112.6 | I271 I272 M277 L278 F279 | I271-W275 PolarHBondContact O-N 3.39Å; I272-W275 PolarHBondContact O-N 2.91Å; W275-M277 VanDerWaalsContact C-N 3.34Å; W275-L278 HydrophobicContact CE3-CD2 3.83Å; W275-L278 HydrophobicContact CH2-CD2 4.48Å; W275-L278 HydrophobicContact CZ3-CD2 3.65Å; W275-L278 PolarHBondContact O-N 2.8Å; W275-F279 WeakPolarHBondContact O-CB 3.23Å; W275-F279 PolarHBondContact O-N 3.44Å |
| 276 | H | 95.9 | Very high | 93.8 | Very high | 29 Ų | 29 | 64.3 Ų | 64.3 | 13% | 0.134 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 175.3 | -164.7 | 126.3 | 0 | 0 | 0 | 110.7 | F238 S241 W242 I272 F273 V274 L278 F279 V280 | F238-H276 AromaticContact CD2-CD2 3.66Å; F238-H276 HydrophobicContact CE2-CB 3.97Å; F238-H276 AromaticContact CE2-CD2 3.49Å; F238-H276 VanDerWaalsContact CE2-CD2 3.49Å; F238-H276 WeakPolarHBondContact CE2-CD2 3.34Å; F238-H276 AromaticContact CE2-CG 3.99Å; S241-H276 VanDerWaalsContact CB-NE2 3.32Å; S241-H276 WeakPolarHBondContact CB-NE2 3.31Å; S241-H276 PolarHBondContact OG-NE2 3.33Å; W242-H276 HydrophobicContact CE3-CB 4.37Å; W242-H276 HydrophobicContact CZ3-CB 4.48Å; I272-H276 VanDerWaalsContact O-CB 3.25Å; I272-H276 WeakPolarHBondContact O-CB 3.1Å; I272-H276 PolarHBondContact O-N 2.97Å; F273-H276 PolarHBondContact O-N 3.25Å; V274-H276 VanDerWaalsContact C-N 3.3Å; V274-H276 PolarHBondContact O-N 3.48Å; H276-L278 PolarHBondContact O-N 2.94Å; H276-F279 PolarHBondContact O-N 3.39Å; H276-V280 WeakPolarHBondContact O-CG2 3.42Å; H276-V280 PolarHBondContact O-N 3.28Å |
| 277 | M | 94.9 | Very high | 93.9 | Very high | 44 Ų | 44 | 65.8 Ų | 65.8 | 22% | 0.217 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 174 | -74.1 | -169.2 | -73 | 0 | 0 | 111.1 | W194 F234 F238 F273 V274 W275 F279 V280 M281 | W194-M277 HydrophobicContact CE3-SD 4.3Å; W194-M277 HydrophobicContact CH2-CG 4.29Å; W194-M277 HydrophobicContact CH2-SD 3.53Å; W194-M277 VanDerWaalsContact CH2-SD 3.53Å; W194-M277 HydrophobicContact CZ3-CG 4.5Å; W194-M277 HydrophobicContact CZ3-SD 3.39Å; W194-M277 WeakPolarHBondContact CZ3-SD 3.44Å; F234-M277 HydrophobicContact CZ-CB 4.43Å; F238-M277 HydrophobicContact CD1-CG 4.34Å; F238-M277 HydrophobicContact CD2-CB 4.24Å; F238-M277 HydrophobicContact CD2-CG 3.7Å; F238-M277 HydrophobicContact CE1-CG 3.83Å; F238-M277 HydrophobicContact CE1-SD 4.48Å; F238-M277 VanDerWaalsContact CE2-CA 3.49Å; F238-M277 HydrophobicContact CE2-CB 3.9Å; F238-M277 HydrophobicContact CE2-CG 3.17Å; F238-M277 VanDerWaalsContact CE2-N 3.29Å; F238-M277 HydrophobicContact CG-CG 4.25Å; F238-M277 HydrophobicContact CZ-CB 4.37Å; F238-M277 HydrophobicContact CZ-CG 3.2Å; F238-M277 HydrophobicContact CZ-SD 4.26Å; F273-M277 HydrophobicContact CD1-CE 3.77Å; F273-M277 HydrophobicContact CD1-SD 4.49Å; F273-M277 HydrophobicContact CE1-CE 3.68Å; F273-M277 HydrophobicContact CE1-SD 3.94Å; F273-M277 HydrophobicContact CZ-SD 4.46Å; F273-M277 PolarHBondContact O-N 3.41Å; V274-M277 HydrophobicContact CB-CE 4.27Å; V274-M277 HydrophobicContact CG2-CE 3.95Å; V274-M277 WeakPolarHBondContact O-CB 3.43Å; V274-M277 PolarHBondContact O-N 3.47Å; W275-M277 VanDerWaalsContact C-N 3.34Å; M277-F279 VanDerWaalsContact C-N 3.35Å; M277-F279 PolarHBondContact O-N 3.34Å; M277-V280 PolarHBondContact O-N 2.82Å; M277-M281 WeakPolarHBondContact O-CB 3.41Å; M277-M281 PolarHBondContact O-N 2.87Å |
| 278 | L | 95.9 | Very high | 93.8 | Very high | 70 Ų | 70 | 62.1 Ų | 62.1 | 37% | 0.366 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 178 | -177.3 | 67.1 | 0 | 0 | 0 | 111.4 | V274 W275 H276 M281 I282 | V274-L278 PolarHBondContact O-N 3.32Å; V274-L278 VanDerWaalsContact O-N 3.1Å; W275-L278 HydrophobicContact CE3-CD2 3.83Å; W275-L278 HydrophobicContact CH2-CD2 4.48Å; W275-L278 HydrophobicContact CZ3-CD2 3.65Å; W275-L278 PolarHBondContact O-N 2.8Å; H276-L278 PolarHBondContact O-N 2.94Å; L278-M281 HydrophobicContact CD1-CE 3.84Å; L278-M281 PolarHBondContact O-N 2.83Å; L278-I282 HydrophobicContact CD1-CD1 4.13Å; L278-I282 HydrophobicContact CG-CD1 3.89Å; L278-I282 VanDerWaalsContact O-CG1 3.3Å; L278-I282 WeakPolarHBondContact O-CG1 3.49Å; L278-I282 PolarHBondContact O-N 3.37Å |
| 279 | F | 96 | Very high | 93.6 | Very high | 146 Ų | 146 | 61.1 Ų | 61.1 | 64% | 0.64 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.1 | -47.2 | 178.7 | 179.1 | -98.4 | 0 | 0 | 0 | 112.2 | W275 H276 M277 M281 I282 A283 | W275-F279 WeakPolarHBondContact O-CB 3.23Å; W275-F279 PolarHBondContact O-N 3.44Å; H276-F279 PolarHBondContact O-N 3.39Å; M277-F279 VanDerWaalsContact C-N 3.35Å; M277-F279 PolarHBondContact O-N 3.34Å; F279-M281 VanDerWaalsContact C-N 3.32Å; F279-M281 PolarHBondContact O-N 3.4Å; F279-I282 PolarHBondContact O-N 3.08Å; F279-A283 WeakPolarHBondContact O-CB 3.43Å; F279-A283 PolarHBondContact O-N 3.02Å |
| 280 | V | 94.8 | Very high | 93.5 | Very high | 8 Ų | 8 | 65.5 Ų | 65.5 | 5% | 0.048 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 178.4 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | F234 I237 F238 H276 M277 A283 Q284 | F234-V280 HydrophobicContact CD2-CG1 3.94Å; F234-V280 HydrophobicContact CE2-CB 4.18Å; F234-V280 HydrophobicContact CE2-CG1 3.94Å; I237-V280 HydrophobicContact CB-CG1 4.36Å; I237-V280 HydrophobicContact CG2-CG1 3.81Å; F238-V280 HydrophobicContact CB-CG1 4.15Å; F238-V280 HydrophobicContact CD2-CB 4.35Å; F238-V280 HydrophobicContact CD2-CG2 4.1Å; H276-V280 WeakPolarHBondContact O-CG2 3.42Å; H276-V280 PolarHBondContact O-N 3.28Å; M277-V280 PolarHBondContact O-N 2.82Å; V280-A283 PolarHBondContact O-N 2.99Å; V280-Q284 WeakPolarHBondContact O-CG 3.15Å; V280-Q284 PolarHBondContact O-N 3.29Å |
| 281 | M | 94.3 | Very high | 93.1 | Very high | 74 Ų | 74 | 64 Ų | 64 | 37% | 0.365 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 177.1 | -171.6 | -177.5 | 67 | 0 | 0 | 111.7 | W230 F234 M277 L278 F279 Q284 L285 | W230-M281 HydrophobicContact CH2-CG 3.81Å; W230-M281 HydrophobicContact CH2-SD 4.11Å; W230-M281 HydrophobicContact CZ2-CG 3.7Å; F234-M281 HydrophobicContact CD2-CB 4.32Å; F234-M281 HydrophobicContact CE2-CB 3.8Å; M277-M281 WeakPolarHBondContact O-CB 3.41Å; M277-M281 PolarHBondContact O-N 2.87Å; L278-M281 HydrophobicContact CD1-CE 3.84Å; L278-M281 PolarHBondContact O-N 2.83Å; F279-M281 VanDerWaalsContact C-N 3.32Å; F279-M281 PolarHBondContact O-N 3.4Å; M281-Q284 PolarHBondContact O-N 3.28Å; M281-L285 PolarHBondContact O-N 2.77Å |
| 282 | I | 95.3 | Very high | 92.7 | Very high | 83 Ų | 83 | 61 Ų | 61 | 43% | 0.426 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 176.4 | -68 | 168 | 0 | 0 | 0 | 110.5 | L278 F279 Q284 L285 V286 | L278-I282 HydrophobicContact CD1-CD1 4.13Å; L278-I282 HydrophobicContact CG-CD1 3.89Å; L278-I282 VanDerWaalsContact O-CG1 3.3Å; L278-I282 WeakPolarHBondContact O-CG1 3.49Å; L278-I282 PolarHBondContact O-N 3.37Å; F279-I282 PolarHBondContact O-N 3.08Å; I282-Q284 VanDerWaalsContact C-N 3.32Å; I282-Q284 PolarHBondContact O-N 3.07Å; I282-L285 WeakPolarHBondContact O-CB 3.34Å; I282-L285 PolarHBondContact O-N 2.98Å; I282-L285 VanDerWaalsContact O-N 3.16Å; I282-V286 HydrophobicContact CG2-CG2 4.23Å; I282-V286 WeakPolarHBondContact O-CG2 3.48Å; I282-V286 PolarHBondContact O-N 2.85Å |
| 283 | A | 93.8 | Very high | 92.2 | Very high | 46 Ų | 46 | 68 Ų | 68 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | F279 V280 V286 L287 | F279-A283 WeakPolarHBondContact O-CB 3.43Å; F279-A283 PolarHBondContact O-N 3.02Å; V280-A283 PolarHBondContact O-N 2.99Å; A283-V286 PolarHBondContact O-N 3.32Å; A283-L287 WeakPolarHBondContact O-CB 3.25Å; A283-L287 PolarHBondContact O-N 3.11Å |
| 284 | Q | 91.8 | Very high | 91.8 | Very high | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.028 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 174.6 | -75.5 | -170.2 | -18.6 | 0 | 0 | 113.2 | C233 F234 I237 V280 M281 I282 L287 L288 | C233-Q284 VanDerWaalsContact C-NE2 3.28Å; C233-Q284 PolarHBondContact O-NE2 3.28Å; F234-Q284 VanDerWaalsContact CB-OE1 3.24Å; F234-Q284 VanDerWaalsContact N-NE2 3.16Å; I237-Q284 HydrophobicContact CD1-CG 4.5Å; V280-Q284 WeakPolarHBondContact O-CG 3.15Å; V280-Q284 PolarHBondContact O-N 3.29Å; M281-Q284 PolarHBondContact O-N 3.28Å; I282-Q284 VanDerWaalsContact C-N 3.32Å; I282-Q284 PolarHBondContact O-N 3.07Å; Q284-L287 PolarHBondContact O-N 3.48Å; Q284-L288 PolarHBondContact O-N 3.05Å |
| 285 | L | 91.7 | Very high | 91.1 | Very high | 92 Ų | 92 | 73.4 Ų | 73.4 | 48% | 0.482 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 175.9 | -178.7 | 65.3 | 0 | 0 | 0 | 111.1 | M281 I282 L287 L288 L289 | M281-L285 PolarHBondContact O-N 2.77Å; I282-L285 WeakPolarHBondContact O-CB 3.34Å; I282-L285 PolarHBondContact O-N 2.98Å; I282-L285 VanDerWaalsContact O-N 3.16Å; L285-L287 VanDerWaalsContact C-N 3.33Å; L285-L287 PolarHBondContact O-N 2.72Å; L285-L288 WeakPolarHBondContact O-CB 3.33Å; L285-L288 PolarHBondContact O-N 3.1Å; L285-L289 HydrophobicContact CG-CD1 4.47Å; L285-L289 WeakPolarHBondContact O-CG 3.37Å; L285-L289 PolarHBondContact O-N 3.42Å |
| 286 | V | 92.3 | Very high | 89.9 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 42% | 0.418 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 175.6 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | I282 A283 L288 L289 I290 | I282-V286 HydrophobicContact CG2-CG2 4.23Å; I282-V286 WeakPolarHBondContact O-CG2 3.48Å; I282-V286 PolarHBondContact O-N 2.85Å; A283-V286 PolarHBondContact O-N 3.32Å; V286-L288 VanDerWaalsContact C-N 3.33Å; V286-L288 PolarHBondContact O-N 3.21Å; V286-L289 PolarHBondContact O-N 3.27Å; V286-I290 HydrophobicContact CG1-CD1 3.74Å; V286-I290 HydrophobicContact CG1-CG1 4.31Å; V286-I290 VanDerWaalsContact O-CG1 3.28Å; V286-I290 WeakPolarHBondContact O-CG1 3.42Å; V286-I290 PolarHBondContact O-N 3.5Å |
| 287 | L | 90.1 | Very high | 88.6 | Confident | 53 Ų | 53 | 69 Ų | 69 | 28% | 0.277 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 176.6 | -177.2 | 57.2 | 0 | 0 | 0 | 112 | A283 Q284 L285 L289 I290 V291 | A283-L287 WeakPolarHBondContact O-CB 3.25Å; A283-L287 PolarHBondContact O-N 3.11Å; Q284-L287 PolarHBondContact O-N 3.48Å; L285-L287 VanDerWaalsContact C-N 3.33Å; L285-L287 PolarHBondContact O-N 2.72Å; L287-L289 VanDerWaalsContact C-N 3.35Å; L287-L289 PolarHBondContact O-N 3.26Å; L287-I290 PolarHBondContact O-N 3.15Å; L287-V291 HydrophobicContact CD1-CG2 4.24Å; L287-V291 VanDerWaalsContact O-CG2 3.31Å; L287-V291 WeakPolarHBondContact O-CG2 3.39Å; L287-V291 PolarHBondContact O-N 3.37Å |
| 288 | L | 88.5 | Confident | 87 | Confident | 26 Ų | 26 | 70.3 Ų | 70.3 | 14% | 0.136 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 173.4 | -173.9 | 146.6 | 0 | 0 | 0 | 111.6 | W50 L54 L226 Q284 L285 V286 V291 A292 | W50-L288 HydrophobicContact CH2-CD1 3.98Å; W50-L288 HydrophobicContact CZ2-CB 4.12Å; W50-L288 HydrophobicContact CZ2-CD1 4.1Å; L54-L288 HydrophobicContact CD2-CD1 4.49Å; L54-L288 HydrophobicContact CD2-CG 4.4Å; L226-L288 HydrophobicContact CD2-CD1 4.45Å; Q284-L288 PolarHBondContact O-N 3.05Å; L285-L288 WeakPolarHBondContact O-CB 3.33Å; L285-L288 PolarHBondContact O-N 3.1Å; V286-L288 VanDerWaalsContact C-N 3.33Å; V286-L288 PolarHBondContact O-N 3.21Å; L288-V291 PolarHBondContact O-N 3.47Å; L288-A292 WeakPolarHBondContact O-CB 3.06Å; L288-A292 PolarHBondContact O-N 3.04Å |
| 289 | L | 88.7 | Confident | 85.2 | Confident | 101 Ų | 101 | 71.9 Ų | 71.9 | 53% | 0.529 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 179.3 | -69 | 174.6 | 0 | 0 | 0 | 112.2 | L285 V286 L287 A292 K293 | L285-L289 HydrophobicContact CG-CD1 4.47Å; L285-L289 WeakPolarHBondContact O-CG 3.37Å; L285-L289 PolarHBondContact O-N 3.42Å; V286-L289 PolarHBondContact O-N 3.27Å; L287-L289 VanDerWaalsContact C-N 3.35Å; L287-L289 PolarHBondContact O-N 3.26Å; L289-A292 PolarHBondContact O-N 3.49Å; L289-K293 WeakPolarHBondContact O-CB 3.26Å; L289-K293 PolarHBondContact O-N 3.17Å |
| 290 | I | 89.2 | Confident | 83.2 | Confident | 91 Ų | 91 | 68.7 Ų | 68.7 | 47% | 0.467 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.8 | -50 | 175.1 | -69.7 | 166.8 | 0 | 0 | 0 | 109.6 | V286 L287 A292 K293 C294 | V286-I290 HydrophobicContact CG1-CD1 3.74Å; V286-I290 HydrophobicContact CG1-CG1 4.31Å; V286-I290 VanDerWaalsContact O-CG1 3.28Å; V286-I290 WeakPolarHBondContact O-CG1 3.42Å; V286-I290 PolarHBondContact O-N 3.5Å; L287-I290 PolarHBondContact O-N 3.15Å; I290-A292 PolarHBondContact O-N 3.38Å; I290-K293 PolarHBondContact O-N 3.39Å; I290-C294 PolarHBondContact O-N 2.94Å; I290-C294 PolarHBondContact O-SG 2.7Å |
| 291 | V | 85.9 | Confident | 81.4 | Confident | 27 Ų | 27 | 73.8 Ų | 73.8 | 16% | 0.164 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65 | -42 | -179.8 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | L54 Y58 L287 L288 K293 C294 Y295 | L54-V291 HydrophobicContact CB-CG1 4.22Å; L54-V291 HydrophobicContact CD1-CB 4.17Å; L54-V291 HydrophobicContact CD1-CG1 4.38Å; L54-V291 HydrophobicContact CD1-CG2 3.9Å; Y58-V291 HydrophobicContact CD2-CG1 3.59Å; Y58-V291 HydrophobicContact CE2-CB 4.26Å; Y58-V291 HydrophobicContact CE2-CG1 3.49Å; Y58-V291 VanDerWaalsContact CE2-CG1 3.49Å; L287-V291 HydrophobicContact CD1-CG2 4.24Å; L287-V291 VanDerWaalsContact O-CG2 3.31Å; L287-V291 WeakPolarHBondContact O-CG2 3.39Å; L287-V291 PolarHBondContact O-N 3.37Å; L288-V291 PolarHBondContact O-N 3.47Å; V291-K293 VanDerWaalsContact C-N 3.29Å; V291-K293 PolarHBondContact O-N 2.93Å; V291-C294 PolarHBondContact O-N 3.05Å; V291-Y295 HydrophobicContact CG1-CD2 3.56Å; V291-Y295 HydrophobicContact CG1-CE2 3.61Å; V291-Y295 WeakPolarHBondContact O-CD2 3.5Å; V291-Y295 PolarHBondContact O-N 3.27Å |
| 292 | A | 84.5 | Confident | 79.5 | Confident | 9 Ų | 9 | 75.9 Ų | 75.9 | 7% | 0.074 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -55.7 | -44.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y58 L288 L289 I290 Y295 G296 V297 | Y58-A292 HydrophobicContact CE1-CB 4.48Å; Y58-A292 WeakPolarHBondContact OH-CA 3.34Å; Y58-A292 VanDerWaalsContact OH-CB 3.24Å; Y58-A292 WeakPolarHBondContact OH-CB 3.33Å; L288-A292 WeakPolarHBondContact O-CB 3.06Å; L288-A292 PolarHBondContact O-N 3.04Å; L289-A292 PolarHBondContact O-N 3.49Å; I290-A292 PolarHBondContact O-N 3.38Å; A292-Y295 PolarHBondContact O-N 3.15Å; A292-G296 PolarHBondContact O-N 2.93Å; A292-V297 PolarHBondContact O-N 3.36Å; A292-V297 VanDerWaalsContact O-N 3.1Å |
| 293 | K | 86 | Confident | 77.3 | Confident | 177 Ų | 177 | 77.5 Ų | 77.5 | 77% | 0.77 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66.2 | -42.4 | 177.3 | -171.4 | 177.3 | 179.2 | 177.6 | 0 | 111.9 | L289 I290 V291 Y295 G296 | L289-K293 WeakPolarHBondContact O-CB 3.26Å; L289-K293 PolarHBondContact O-N 3.17Å; I290-K293 PolarHBondContact O-N 3.39Å; V291-K293 VanDerWaalsContact C-N 3.29Å; V291-K293 PolarHBondContact O-N 2.93Å; K293-Y295 VanDerWaalsContact C-N 3.32Å; K293-Y295 PolarHBondContact O-N 3.41Å; K293-G296 PolarHBondContact O-N 3.31Å; K293-G296 VanDerWaalsContact O-N 3.15Å |
| 294 | C | 85.4 | Confident | 75.3 | Confident | 104 Ų | 104 | 78.9 Ų | 78.9 | 70% | 0.703 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64 | -34.1 | 177.8 | -71 | 0 | 0 | 0 | 0 | 113.1 | I290 V291 G296 | I290-C294 PolarHBondContact O-N 2.94Å; I290-C294 PolarHBondContact O-SG 2.7Å; V291-C294 PolarHBondContact O-N 3.05Å; C294-G296 VanDerWaalsContact C-N 3.27Å; C294-G296 PolarHBondContact O-N 3.01Å |
| 295 | Y | 80.6 | Confident | 73.4 | Confident | 115 Ų | 115 | 82.8 Ų | 82.8 | 45% | 0.451 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 5.1 | 176 | -79.7 | -81.3 | 0 | 0 | 0 | 113.8 | Y58 V291 A292 K293 V297 | Y58-Y295 HydrophobicContact CD1-CD2 4.41Å; Y58-Y295 HydrophobicContact CD1-CG 4.24Å; Y58-Y295 AromaticContact CD2-CD2 3.75Å; Y58-Y295 HydrophobicContact CD2-CD2 3.75Å; Y58-Y295 HydrophobicContact CD2-CE2 4.11Å; Y58-Y295 HydrophobicContact CD2-CG 4.34Å; Y58-Y295 HydrophobicContact CG-CD1 4.44Å; Y58-Y295 AromaticContact CG-CD2 3.69Å; Y58-Y295 HydrophobicContact CG-CD2 3.69Å; Y58-Y295 HydrophobicContact CG-CE2 4.24Å; Y58-Y295 AromaticContact CG-CG 3.81Å; Y58-Y295 HydrophobicContact CG-CG 3.81Å; V291-Y295 HydrophobicContact CG1-CD2 3.56Å; V291-Y295 HydrophobicContact CG1-CE2 3.61Å; V291-Y295 WeakPolarHBondContact O-CD2 3.5Å; V291-Y295 PolarHBondContact O-N 3.27Å; A292-Y295 PolarHBondContact O-N 3.15Å; K293-Y295 VanDerWaalsContact C-N 3.32Å; K293-Y295 PolarHBondContact O-N 3.41Å; Y295-V297 PolarHBondContact O-N 3.08Å |
| 296 | G | 73.1 | Confident | 71.5 | Confident | 65 Ų | 65 | 84 Ų | 84 | 67% | 0.67 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 23.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A292 K293 C294 S298 | A292-G296 PolarHBondContact O-N 2.93Å; K293-G296 PolarHBondContact O-N 3.31Å; K293-G296 VanDerWaalsContact O-N 3.15Å; C294-G296 VanDerWaalsContact C-N 3.27Å; C294-G296 PolarHBondContact O-N 3.01Å; G296-S298 PolarHBondContact O-N 3.03Å; G296-S298 VanDerWaalsContact O-N 3.09Å |
| 297 | V | 68.1 | Low | 69.7 | Low | 42 Ų | 42 | 84 Ų | 84 | 26% | 0.255 | 48% | 0.475 | S | S | . | . | trans | -72.1 | 109.5 | 178.1 | 178.8 | 0 | 0 | 0 | 0 | 108.3 | Y58 A292 Y295 W301 | Y58-V297 HydrophobicContact CD1-CG2 3.53Å; Y58-V297 HydrophobicContact CE1-CB 4.17Å; Y58-V297 HydrophobicContact CE1-CG2 3.47Å; Y58-V297 VanDerWaalsContact CE1-CG2 3.47Å; A292-V297 PolarHBondContact O-N 3.36Å; A292-V297 VanDerWaalsContact O-N 3.1Å; Y295-V297 PolarHBondContact O-N 3.08Å; V297-W301 HydrophobicContact CG1-CH2 4.17Å; V297-W301 HydrophobicContact CG1-CZ2 3.77Å | ||
| 298 | S | 60.3 | Low | 67.9 | Low | 72 Ų | 72 | 83.3 Ų | 83.3 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | trans | -53.9 | 136.1 | 173.6 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | G296 N300 | G296-S298 PolarHBondContact O-N 3.03Å; G296-S298 VanDerWaalsContact O-N 3.09Å; S298-N300 PolarHBondContact O-N 2.72Å | ||
| 299 | P | 58.9 | Low | 66.4 | Low | 103 Ų | 103 | 87.7 Ų | 87.7 | 67% | 0.669 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -64.3 | 12.6 | -175.9 | 25.5 | -34.4 | 0 | 0 | 0 | 115.2 | W301 | P299-W301 PolarHBondContact O-N 3.44Š|
| 300 | N | 54.8 | Low | 64.7 | Low | 80 Ų | 80 | 90.4 Ų | 90.4 | 43% | 0.428 | 51% | 0.505 | S | S | . | . | trans | -78.1 | 46.4 | -179.5 | -63.9 | 2.3 | 0 | 0 | 0 | 112.4 | S298 T302 E303 | S298-N300 PolarHBondContact O-N 2.72Å; N300-T302 PolarHBondContact O-N 3.17Å; N300-T302 VanDerWaalsContact O-N 3.16Å; N300-E303 HydrophobicContact CB-CB 3.9Å; N300-E303 PolarHBondContact ND2-OE2 3.42Å; N300-E303 PolarHBondContact O-N 2.96Å | ||
| 301 | W | 56.6 | Low | 63.1 | Low | 115 Ų | 115 | 94.6 Ų | 94.6 | 44% | 0.436 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -24.7 | 173.9 | -64.9 | 97.3 | 0 | 0 | 0 | 112.1 | R57 Y58 V297 P299 | R57-W301 VanDerWaalsContact NH2-CZ3 3.31Å; Y58-W301 HydrophobicContact CE1-CH2 4.33Å; V297-W301 HydrophobicContact CG1-CH2 4.17Å; V297-W301 HydrophobicContact CG1-CZ2 3.77Å; P299-W301 PolarHBondContact O-N 3.44Å |
| 302 | T | 53.1 | Low | 61.5 | Low | 117 Ų | 117 | 101.4 Ų | 101.4 | 72% | 0.718 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -29.1 | 177.5 | 16.3 | 0 | 0 | 0 | 0 | 114.2 | N300 T305 | N300-T302 PolarHBondContact O-N 3.17Å; N300-T302 VanDerWaalsContact O-N 3.16Å; T302-T305 PolarHBondContact O-OG1 2.9Å; T302-T305 VanDerWaalsContact O-OG1 3.11Å |
| 303 | E | 50.6 | Low | 60.2 | Low | 117 Ų | 117 | 104.3 Ų | 104.3 | 55% | 0.547 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -83.7 | -18.7 | -168.8 | -153.9 | 178.2 | -168.7 | 0 | 0 | 113.9 | N300 T305 D306 S307 | N300-E303 HydrophobicContact CB-CB 3.9Å; N300-E303 PolarHBondContact ND2-OE2 3.42Å; N300-E303 PolarHBondContact O-N 2.96Å; E303-T305 PolarHBondContact O-N 3.21Å; E303-D306 PolarHBondContact O-N 3.19Å; E303-S307 PolarHBondContact O-N 3.48Å; E303-S307 PolarHBondContact O-OG 2.98Å |
| 304 | S | 50.5 | Low | 58.8 | Low | 75 Ų | 75 | 99 Ų | 99 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.3 | -24 | 174.5 | 68.6 | 0 | 0 | 0 | 0 | 113 | S307 S308 | S304-S307 PolarHBondContact O-OG 3.05Å; S304-S308 PolarHBondContact O-N 3.3Å; S304-S308 PolarHBondContact O-OG 3.4Å |
| 305 | T | 51.5 | Low | 57.3 | Low | 88 Ų | 88 | 100.5 Ų | 100.5 | 54% | 0.54 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72 | -46.1 | 179.1 | -24.8 | 0 | 0 | 0 | 0 | 111.2 | T302 E303 S308 L309 | T302-T305 PolarHBondContact O-OG1 2.9Å; T302-T305 VanDerWaalsContact O-OG1 3.11Å; E303-T305 PolarHBondContact O-N 3.21Å; T305-S308 PolarHBondContact O-N 2.59Å; T305-S308 PolarHBondContact O-OG 3.18Å; T305-L309 PolarHBondContact O-N 3.33Å |
| 306 | D | 52.8 | Low | 55.9 | Low | 118 Ų | 118 | 102.3 Ų | 102.3 | 63% | 0.631 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.4 | -38.1 | -178.3 | -85.3 | -17.6 | 0 | 0 | 0 | 113 | E303 S308 L309 K310 | E303-D306 PolarHBondContact O-N 3.19Å; D306-S308 VanDerWaalsContact C-N 3.33Å; D306-S308 PolarHBondContact O-N 2.83Å; D306-L309 PolarHBondContact O-N 3.12Å; D306-K310 VanDerWaalsContact O-CB 3.27Å; D306-K310 WeakPolarHBondContact O-CB 3.45Å; D306-K310 PolarHBondContact O-N 2.96Å |
| 307 | S | 53.6 | Low | 55 | Low | 70 Ų | 70 | 107.4 Ų | 107.4 | 49% | 0.49 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.6 | -32.8 | 178 | 56.1 | 0 | 0 | 0 | 0 | 112.7 | E303 S304 R311 | E303-S307 PolarHBondContact O-N 3.48Å; E303-S307 PolarHBondContact O-OG 2.98Å; S304-S307 PolarHBondContact O-OG 3.05Å; S307-R311 VanDerWaalsContact O-CB 3.32Å; S307-R311 WeakPolarHBondContact O-CB 3.46Å; S307-R311 PolarHBondContact O-N 3.16Å |
| 308 | S | 53.3 | Low | 54.4 | Low | 37 Ų | 37 | 109.6 Ų | 109.6 | 26% | 0.259 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -72.5 | -35.8 | 175.6 | 76.7 | 0 | 0 | 0 | 0 | 112.8 | S219 S304 T305 D306 R312 | S219-S308 PolarHBondContact OG-OG 3.49Å; S304-S308 PolarHBondContact O-N 3.3Å; S304-S308 PolarHBondContact O-OG 3.4Å; T305-S308 PolarHBondContact O-N 2.59Å; T305-S308 PolarHBondContact O-OG 3.18Å; D306-S308 VanDerWaalsContact C-N 3.33Å; D306-S308 PolarHBondContact O-N 2.83Å; S308-R312 PolarHBondContact O-N 3.13Å; S308-R312 VanDerWaalsContact O-N 3.12Å |
| 309 | L | 56.2 | Low | 54.1 | Low | 118 Ų | 118 | 116 Ų | 116 | 62% | 0.618 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.3 | -45.8 | 174.2 | -144.6 | 95 | 0 | 0 | 0 | 110.7 | T305 D306 R311 R312 T313 | T305-L309 PolarHBondContact O-N 3.33Å; D306-L309 PolarHBondContact O-N 3.12Å; L309-R311 VanDerWaalsContact C-N 3.35Å; L309-R311 PolarHBondContact O-N 3.3Å; L309-R312 PolarHBondContact O-N 3.37Å; L309-T313 WeakPolarHBondContact O-CG2 3.38Å; L309-T313 PolarHBondContact O-N 3.14Å; L309-T313 PolarHBondContact O-OG1 3.39Å |
| 310 | K | 54.2 | Low | 53.9 | Low | 158 Ų | 158 | 117.7 Ų | 117.7 | 69% | 0.687 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.5 | -36.2 | 178.4 | -168.3 | 173.3 | -177.6 | 178.1 | 0 | 112.7 | D306 T313 S314 | D306-K310 VanDerWaalsContact O-CB 3.27Å; D306-K310 WeakPolarHBondContact O-CB 3.45Å; D306-K310 PolarHBondContact O-N 2.96Å; K310-T313 WeakPolarHBondContact CA-OG1 3.42Å; K310-T313 PolarHBondContact O-OG1 2.96Å; K310-S314 WeakPolarHBondContact O-CB 3.41Å; K310-S314 PolarHBondContact O-N 3.35Å |
| 311 | R | 54.4 | Low | 54 | Low | 179 Ų | 179 | 117.4 Ų | 117.4 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.9 | -34.5 | 176.5 | -161.5 | -179.5 | -100.7 | 157.4 | -4.3 | 112.1 | S307 L309 H315 | S307-R311 VanDerWaalsContact O-CB 3.32Å; S307-R311 WeakPolarHBondContact O-CB 3.46Å; S307-R311 PolarHBondContact O-N 3.16Å; L309-R311 VanDerWaalsContact C-N 3.35Å; L309-R311 PolarHBondContact O-N 3.3Å; R311-H315 PolarHBondContact O-N 3.46Å; R311-H315 VanDerWaalsContact O-N 3.16Å |
| 312 | R | 53.3 | Low | 53.9 | Low | 170 Ų | 170 | 118.5 Ų | 118.5 | 64% | 0.642 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.5 | -36.3 | 172.9 | -96.9 | -174.1 | 173.3 | -171.6 | -1.2 | 113 | S308 L309 K316 | S308-R312 PolarHBondContact O-N 3.13Å; S308-R312 VanDerWaalsContact O-N 3.12Å; L309-R312 PolarHBondContact O-N 3.37Å; R312-K316 WeakPolarHBondContact O-CB 3.21Å; R312-K316 PolarHBondContact O-N 3.32Å |
| 313 | T | 57.9 | Low | 53.9 | Low | 70 Ų | 70 | 119.9 Ų | 119.9 | 43% | 0.429 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.4 | -42.6 | 175.3 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | L309 K310 H315 K316 Y317 | L309-T313 WeakPolarHBondContact O-CG2 3.38Å; L309-T313 PolarHBondContact O-N 3.14Å; L309-T313 PolarHBondContact O-OG1 3.39Å; K310-T313 WeakPolarHBondContact CA-OG1 3.42Å; K310-T313 PolarHBondContact O-OG1 2.96Å; T313-H315 PolarHBondContact O-N 3.03Å; T313-K316 PolarHBondContact O-N 3.27Å; T313-Y317 WeakPolarHBondContact O-CD2 3.26Å; T313-Y317 PolarHBondContact O-N 3.44Å |
| 314 | S | 55 | Low | 53.9 | Low | 67 Ų | 67 | 118.8 Ų | 118.8 | 47% | 0.469 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60 | -44.9 | 177.5 | -162.3 | 0 | 0 | 0 | 0 | 112.4 | K310 K316 Y317 D318 | K310-S314 WeakPolarHBondContact O-CB 3.41Å; K310-S314 PolarHBondContact O-N 3.35Å; S314-K316 VanDerWaalsContact C-N 3.27Å; S314-K316 PolarHBondContact O-N 3.23Å; S314-Y317 PolarHBondContact O-N 2.61Å; S314-D318 PolarHBondContact O-N 3.34Å; S314-D318 VanDerWaalsContact O-N 3.13Å |
| 315 | H | 53.9 | Low | 53.9 | Low | 135 Ų | 135 | 119.9 Ų | 119.9 | 63% | 0.625 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.7 | -21 | -179.2 | -145.1 | -50.5 | 0 | 0 | 0 | 113.6 | R311 T313 | R311-H315 PolarHBondContact O-N 3.46Å; R311-H315 VanDerWaalsContact O-N 3.16Å; T313-H315 PolarHBondContact O-N 3.03Å |
| 316 | K | 52.1 | Low | 53.6 | Low | 152 Ų | 152 | 123.4 Ų | 123.4 | 66% | 0.661 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -78.4 | -30.7 | 174.4 | -162.5 | 177.3 | -178.7 | -175.1 | 0 | 111.8 | R312 T313 S314 | R312-K316 WeakPolarHBondContact O-CB 3.21Å; R312-K316 PolarHBondContact O-N 3.32Å; T313-K316 PolarHBondContact O-N 3.27Å; S314-K316 VanDerWaalsContact C-N 3.27Å; S314-K316 PolarHBondContact O-N 3.23Å |
| 317 | Y | 53.5 | Low | 53.1 | Low | 172 Ų | 172 | 123.1 Ų | 123.1 | 68% | 0.675 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -78 | -37.6 | 174.7 | -77.2 | -72 | 0 | 0 | 0 | 112.8 | T313 S314 R319 Q320 S321 | T313-Y317 WeakPolarHBondContact O-CD2 3.26Å; T313-Y317 PolarHBondContact O-N 3.44Å; S314-Y317 PolarHBondContact O-N 2.61Å; Y317-R319 PolarHBondContact O-N 3.39Å; Y317-Q320 PolarHBondContact O-N 3.4Å; Y317-S321 PolarHBondContact O-N 3.32Å; Y317-S321 VanDerWaalsContact O-N 3.11Å; Y317-S321 PolarHBondContact O-OG 3Å |
| 318 | D | 56.6 | Low | 52.6 | Low | 89 Ų | 89 | 127.4 Ų | 127.4 | 48% | 0.476 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -70.3 | -29.9 | 179.5 | -79.3 | -31.1 | 0 | 0 | 0 | 113.8 | S314 Q320 S321 L322 | S314-D318 PolarHBondContact O-N 3.34Å; S314-D318 VanDerWaalsContact O-N 3.13Å; D318-Q320 VanDerWaalsContact C-N 3.28Å; D318-Q320 PolarHBondContact O-N 3.41Å; D318-S321 PolarHBondContact O-OG 3.42Å; D318-L322 PolarHBondContact O-N 3.48Å |
| 319 | R | 53 | Low | 52.4 | Low | 205 Ų | 205 | 132.4 Ų | 132.4 | 77% | 0.774 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -76.9 | -17.8 | 176.3 | -144.5 | 179.2 | -166.4 | 175.5 | 3.9 | 113 | Y317 | Y317-R319 PolarHBondContact O-N 3.39Å |
| 320 | Q | 54 | Low | 51.8 | Low | 140 Ų | 140 | 132.8 Ų | 132.8 | 65% | 0.654 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -93.8 | -24 | 178.9 | -131.6 | 167.8 | -8.9 | 0 | 0 | 112.1 | Y317 D318 | Y317-Q320 PolarHBondContact O-N 3.4Å; D318-Q320 VanDerWaalsContact C-N 3.28Å; D318-Q320 PolarHBondContact O-N 3.41Å |
| 321 | S | 57 | Low | 51.3 | Low | 73 Ų | 73 | 135.7 Ų | 135.7 | 51% | 0.51 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -82 | -27.7 | 175.1 | 60 | 0 | 0 | 0 | 0 | 113.9 | Y317 D318 | Y317-S321 PolarHBondContact O-N 3.32Å; Y317-S321 VanDerWaalsContact O-N 3.11Å; Y317-S321 PolarHBondContact O-OG 3Å; D318-S321 PolarHBondContact O-OG 3.42Å |
| 322 | L | 55.6 | Low | 51 | Low | 138 Ų | 138 | 133.8 Ų | 133.8 | 72% | 0.723 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -3.2 | -179.8 | -91.7 | 143.1 | 0 | 0 | 0 | 115.6 | D318 | D318-L322 PolarHBondContact O-N 3.48Š|
| 323 | N | 52 | Low | 50.8 | Low | 147 Ų | 147 | 133.1 Ų | 133.1 | 79% | 0.786 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 12.2 | 174.9 | -95.8 | -2.6 | 0 | 0 | 0 | 113.6 | ||
| 324 | S | 51.5 | Low | 50.4 | Low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 71% | 0.714 | S | S | * | * | trans | -90.5 | 5 | -176.9 | -177.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 325 | S | 50.1 | Low | 49.9 | Very low | 97 Ų | 97 | 142 Ų | 142 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -105.8 | 68.4 | 177.8 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 326 | N | 45.3 | Very low | 49.4 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | trans | 176.4 | 78.6 | 156.1 | -89.5 | -20.7 | 0 | 0 | 0 | 109.1 | ||||
| 327 | S | 42 | Very low | 49.1 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | trans | -157.1 | 77.7 | 156.2 | 51 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 328 | L | 44.5 | Very low | 48.9 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -105.9 | 127.1 | 152.2 | -143 | 111.3 | 0 | 0 | 0 | 105 | ||||
| 329 | N | 48.2 | Very low | 48.7 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 79.1 | 101.3 | -172.2 | -54.8 | -27.9 | 0 | 0 | 0 | 115 | ||
| 330 | T | 42.7 | Very low | 48.7 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | 169 | 112.5 | 99.9 | -63 | 0 | 0 | 0 | 0 | 108.1 | D332 | T330-D332 PolarHBondContact O-N 3.42Š| |||
| 331 | Y | 44.9 | Very low | 48.6 | Very low | 218 Ų | 218 | 148.7 Ų | 148.7 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -60 | 116 | 158.4 | -115.8 | -105 | 0 | 0 | 0 | 107.7 | ||||
| 332 | D | 48.5 | Very low | 48.4 | Very low | 140 Ų | 140 | 151.3 Ų | 151.3 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | 163 | 146.7 | 146.4 | -84.6 | -20.1 | 0 | 0 | 0 | 110.4 | T330 | T330-D332 PolarHBondContact O-N 3.42Š| ||
| 333 | N | 48.1 | Very low | 48.3 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | 96.5 | 65.6 | 178.9 | -54.9 | -36.2 | 0 | 0 | 0 | 117.1 | ||||
| 334 | I | 49.7 | Very low | 48.3 | Very low | 166 Ų | 166 | 155.2 Ų | 155.2 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -51.7 | 148.4 | 131.8 | -65 | 161.5 | 0 | 0 | 0 | 108.9 | ||||
| 335 | E | 44.8 | Very low | 48.6 | Very low | 156 Ų | 156 | 157.2 Ų | 157.2 | 73% | 0.729 | 80% | 0.804 | S | S | * | * | trans | 97.9 | 74.8 | 163.3 | -145.3 | 166.7 | -150.5 | 0 | 0 | 118.8 | ||||
| 336 | Y | 42.8 | Very low | 48.7 | Very low | 237 Ų | 237 | 165.3 Ų | 165.3 | 93% | 0.929 | 83% | 0.831 | S | S | * | * | trans | -131.3 | 55.5 | 145.1 | -83 | -84.7 | 0 | 0 | 0 | 110 | ||||
| 337 | T | 46.7 | Very low | 48.9 | Very low | 108 Ų | 108 | 165.4 Ų | 165.4 | 66% | 0.663 | 83% | 0.829 | S | S | * | * | trans | -78.9 | 147.8 | 150.8 | 26.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 338 | K | 49.6 | Very low | 49.3 | Very low | 194 Ų | 194 | 168.2 Ų | 168.2 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | S | Bend | trans | 96.4 | 21.3 | 140.3 | -124.3 | 176.3 | -175.5 | -177.7 | 0 | 122 | ||
| 339 | L | 52 | Low | 49.5 | Very low | 163 Ų | 163 | 168.7 Ų | 168.7 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | trans | -125.2 | 29.4 | -179.5 | -72.5 | 176 | 0 | 0 | 0 | 118.1 | ||||
| 340 | L | 52 | Low | 49.6 | Very low | 183 Ų | 183 | 170.3 Ų | 170.3 | 96% | 0.958 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -127.2 | 24.8 | 169.9 | -99 | 158.4 | 0 | 0 | 0 | 114.1 | ||
| 341 | N | 52.9 | Low | 50.1 | Low | 150 Ų | 150 | 173 Ų | 173 | 80% | 0.802 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -134.9 | 63.7 | 173.8 | -167.8 | 28.6 | 0 | 0 | 0 | 111.1 | ||
| 342 | T | 52.6 | Low | 50.4 | Low | 127 Ų | 127 | 170 Ų | 170 | 78% | 0.779 | 84% | 0.838 | S | S | * | * | trans | -168.1 | 143.5 | 154.6 | -12 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 343 | D | 53 | Low | 50.5 | Low | 141 Ų | 141 | 172.1 Ų | 172.1 | 75% | 0.754 | 85% | 0.845 | S | S | * | * | trans | 96.7 | 71.8 | 169.6 | -51.3 | -16.4 | 0 | 0 | 0 | 118.4 | ||||
| 344 | Y | 52.2 | Low | 50.7 | Low | 226 Ų | 226 | 173.4 Ų | 173.4 | 89% | 0.886 | 85% | 0.846 | S | S | * | * | trans | -122.3 | 95.6 | 132.7 | -102.3 | -93.7 | 0 | 0 | 0 | 105 | ||||
| 345 | I | 58 | Low | 50.8 | Low | 137 Ų | 137 | 174 Ų | 174 | 70% | 0.703 | 85% | 0.845 | S | S | * | * | 66.9 | 105.2 | 95.4 | -60 | 170.4 | 0 | 0 | 0 | 112.2 | |||||
| 346 | E | 53.2 | Low | 51.4 | Low | 266 Ų | 266 | 175.6 Ų | 175.6 | 100% | 1.243 | 86% | 0.856 | S | S | * | * | trans | 63.3 | 0 | 164.9 | -69.4 | -176.1 | 169.4 | 0 | 0 | 121 |
Retrieved 346 of 346 residues in 293.4 ms
(Link to these results)