| 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 | 38.2 | Very low | 30.6 | Very low | 249 Ų | 249 | 138.3 Ų | 138.3 | 100% | 1.227 | 87% | 0.867 | S | S | * | * | 0 | 107.9 | 0 | -87.1 | 157.5 | 141.6 | 0 | 0 | 107 | |||||
| 2 | N | 27.5 | Very low | 30.8 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 89% | 0.893 | 88% | 0.878 | S | S | * | * | trans | -86.8 | 153.7 | -164 | -85.2 | -8.7 | 0 | 0 | 0 | 113.9 | ||||
| 3 | S | 29.1 | Very low | 30.6 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 86% | 0.863 | S | S | * | * | trans | -39.9 | 149.4 | 168.5 | -59.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 4 | S | 28.3 | Very low | 30.7 | Very low | 129 Ų | 129 | 141 Ų | 141 | 90% | 0.902 | 86% | 0.86 | S | S | * | * | 174 | 151.8 | 111 | 43.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 5 | K | 30.1 | Very low | 30.9 | Very low | 203 Ų | 203 | 143.8 Ų | 143.8 | 88% | 0.883 | 87% | 0.866 | S | S | * | * | trans | -125 | 139.1 | -171 | -151.6 | -179.6 | -168.7 | -179.7 | 0 | 108.7 | ||||
| 6 | S | 25.4 | Very low | 31.1 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 81% | 0.811 | 86% | 0.861 | S | S | * | * | trans | 73.9 | 162.2 | 162.8 | -99.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 7 | P | 44.5 | Very low | 31.6 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 82% | 0.818 | 85% | 0.853 | S | S | * | * | cis | -139 | 174.1 | -44 | 34.5 | -15.5 | 0 | 0 | 0 | 113.1 | ||||
| 8 | G | 23.3 | Very low | 32.5 | Very low | 76 Ų | 76 | 144.4 Ų | 144.4 | 78% | 0.784 | 84% | 0.839 | S | S | * | * | trans | 140 | 111.4 | 153 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 9 | L | 26.6 | Very low | 33.6 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | 157.2 | 80 | 115.7 | -161.5 | 70.3 | 0 | 0 | 0 | 108.6 | G11 | L9-G11 PolarHBondContact O-N 3.46Š| |||
| 10 | A | 32.7 | Very low | 35.1 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -74.3 | 113.3 | 161 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 11 | G | 30.5 | Very low | 36 | Very low | 59 Ų | 59 | 136.4 Ų | 136.4 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | trans | 179.4 | 129.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L9 | L9-G11 PolarHBondContact O-N 3.46Š| ||
| 12 | F | 33.3 | Very low | 36.7 | Very low | 228 Ų | 228 | 126.1 Ų | 126.1 | 100% | 1 | 74% | 0.737 | S | S | * | * | trans | 73.1 | 79.8 | 172.4 | -78.3 | -94.5 | 0 | 0 | 0 | 116.9 | ||||
| 13 | G | 28.7 | Very low | 38 | Very low | 67 Ų | 67 | 124.9 Ų | 124.9 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | trans | -155 | 108.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 14 | I | 31.1 | Very low | 39.3 | Very low | 158 Ų | 158 | 126.4 Ų | 126.4 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | trans | 89.3 | 66.8 | 158 | -45.8 | 165.6 | 0 | 0 | 0 | 115.5 | R16 | I14-R16 HydrophobicContact CG2-CB 3.85Å; I14-R16 PolarHBondContact O-N 2.77Å; I14-R16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | L | 33.6 | Very low | 40.7 | Very low | 183 Ų | 183 | 128.2 Ų | 128.2 | 96% | 0.958 | 71% | 0.709 | S | S | * | * | trans | -74.7 | 81.5 | 148.4 | -157.8 | 89.5 | 0 | 0 | 0 | 107.4 | N17 | L15-N17 PolarHBondContact O-N 3.31Š| ||
| 16 | R | 34.1 | Very low | 42.2 | Very low | 209 Ų | 209 | 122.5 Ų | 122.5 | 79% | 0.789 | 69% | 0.688 | S | S | * | * | trans | -68.4 | 96 | 179.4 | -168.9 | 172.9 | 178.7 | 172.4 | -0.8 | 109.8 | I14 T18 | I14-R16 HydrophobicContact CG2-CB 3.85Å; I14-R16 PolarHBondContact O-N 2.77Å; I14-R16 VanDerWaalsContact O-N 3.11Å; R16-T18 PolarHBondContact O-N 3.26Å; R16-T18 PolarHBondContact O-OG1 3.18Å | ||
| 17 | N | 40.7 | Very low | 44.2 | Very low | 134 Ų | 134 | 117.2 Ų | 117.2 | 72% | 0.717 | 65% | 0.651 | S | S | * | * | trans | 5.5 | 72 | 147.4 | -143.8 | 14.2 | 0 | 0 | 0 | 116.6 | L15 | L15-N17 PolarHBondContact O-N 3.31Š| ||
| 18 | T | 47.1 | Very low | 45.5 | Very low | 99 Ų | 99 | 113.2 Ų | 113.2 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | trans | -119.6 | 37.6 | 172.9 | -39 | 0 | 0 | 0 | 0 | 110.1 | R16 | R16-T18 PolarHBondContact O-N 3.26Å; R16-T18 PolarHBondContact O-OG1 3.18Å | ||
| 19 | T | 54.6 | Low | 48.1 | Very low | 66 Ų | 66 | 116 Ų | 116 | 41% | 0.405 | 62% | 0.615 | S | S | . | * | trans | -80.6 | 124.2 | 170.9 | 37.6 | 0 | 0 | 0 | 0 | 109.6 | H21 | T19-H21 PolarHBondContact O-CD2 3.05Å; T19-H21 PolarHBondContact O-N 3.24Å | ||
| 20 | C | 63 | Low | 50.5 | Low | 31 Ų | 31 | 112 Ų | 112 | 21% | 0.209 | 59% | 0.59 | C | S | . | * | trans | -62.9 | 108.7 | 174.2 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | T22 C280 E281 | C20-T22 PolarHBondContact O-N 3.21Å; C20-T22 PolarHBondContact SG-OG1 3.38Å; C20-C280 HydrophobicContact CB-CB 3.86Å; C20-C280 WeakPolarHBondContact CB-SG 3.45Å; C20-C280 PolarHBondContact SG-SG 2.89Å; C20-E281 PolarHBondContact SG-OE1 3.37Å | ||
| 21 | H | 52.7 | Low | 52.7 | Low | 169 Ų | 169 | 108.2 Ų | 108.2 | 78% | 0.782 | 56% | 0.557 | S | S | * | * | trans | -80.2 | 55.3 | 175.4 | -83.6 | -90.1 | 0 | 0 | 0 | 111 | T19 | T19-H21 PolarHBondContact O-CD2 3.05Å; T19-H21 PolarHBondContact O-N 3.24Å | ||
| 22 | T | 53.7 | Low | 55.2 | Low | 32 Ų | 32 | 108.7 Ų | 108.7 | 20% | 0.196 | 55% | 0.545 | C | S | . | . | trans | -71.3 | 132.3 | 161 | -26.8 | 0 | 0 | 0 | 0 | 107.1 | C20 K24 E281 | C20-T22 PolarHBondContact O-N 3.21Å; C20-T22 PolarHBondContact SG-OG1 3.38Å; T22-K24 PolarHBondContact O-N 2.7Å; T22-E281 WeakPolarHBondContact CB-OE1 3.26Å; T22-E281 WeakPolarHBondContact CG2-OE1 3.39Å; T22-E281 PolarHBondContact OG1-OE1 2.69Å | ||
| 23 | E | 55.4 | Low | 57.8 | Low | 141 Ų | 141 | 102 Ų | 102 | 66% | 0.659 | 52% | 0.519 | S | S | * | . | trans | -46.2 | 109.3 | 177.3 | -75.3 | -156.3 | 155.4 | 0 | 0 | 110.8 | K25 I26 | E23-K25 PolarHBondContact O-N 2.89Å; E23-I26 HydrophobicContact CB-CD1 4.22Å; E23-I26 HydrophobicContact CB-CG1 4.29Å; E23-I26 PolarHBondContact O-N 3.37Å; E23-I26 WeakPolarHBondContact OE2-CD1 3.44Å | ||
| 24 | K | 56.8 | Low | 60.6 | Low | 147 Ų | 147 | 100 Ų | 100 | 64% | 0.639 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -49.6 | -34 | -168.7 | -79.3 | -177.9 | 175.2 | -176.2 | 0 | 112.9 | T22 V28 | T22-K24 PolarHBondContact O-N 2.7Å; K24-V28 VanDerWaalsContact O-CG2 3.24Å; K24-V28 WeakPolarHBondContact O-CG2 3.37Å |
| 25 | K | 57.8 | Low | 63.4 | Low | 166 Ų | 166 | 94.3 Ų | 94.3 | 72% | 0.722 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -70.3 | -48 | -178.5 | -67.7 | -177.1 | 178.6 | -179.7 | 0 | 112.2 | E23 S27 V28 F29 | E23-K25 PolarHBondContact O-N 2.89Å; K25-S27 PolarHBondContact O-N 3.48Å; K25-V28 PolarHBondContact O-N 3.01Å; K25-F29 HydrophobicContact CB-CE2 4.5Å; K25-F29 WeakPolarHBondContact O-CD2 3.22Å; K25-F29 PolarHBondContact O-N 3.23Å |
| 26 | I | 61.4 | Low | 66.1 | Low | 83 Ų | 83 | 88.5 Ų | 88.5 | 43% | 0.426 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | -174.1 | -63.1 | -179.1 | 0 | 0 | 0 | 111.1 | E23 V28 F29 F30 | E23-I26 HydrophobicContact CB-CD1 4.22Å; E23-I26 HydrophobicContact CB-CG1 4.29Å; E23-I26 PolarHBondContact O-N 3.37Å; E23-I26 WeakPolarHBondContact OE2-CD1 3.44Å; I26-V28 PolarHBondContact O-N 3.01Å; I26-F29 PolarHBondContact O-N 3.01Å; I26-F30 HydrophobicContact CG2-CD2 3.76Å; I26-F30 HydrophobicContact CG2-CE2 3.47Å; I26-F30 VanDerWaalsContact CG2-CE2 3.47Å; I26-F30 WeakPolarHBondContact O-CD2 3.37Å; I26-F30 PolarHBondContact O-N 2.91Å |
| 27 | S | 67.2 | Low | 68.9 | Low | 5 Ų | 5 | 81.7 Ų | 81.7 | 4% | 0.035 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.9 | -32.8 | -178.9 | -171.1 | 0 | 0 | 0 | 0 | 114 | K25 S31 Y90 R288 | K25-S27 PolarHBondContact O-N 3.48Å; S27-S31 PolarHBondContact O-N 2.99Å; S27-Y90 PolarHBondContact OG-OH 3.07Å; S27-R288 PolarHBondContact OG-NH2 3.03Å; S27-R288 VanDerWaalsContact OG-NH2 3.11Å |
| 28 | V | 71.9 | Confident | 71.3 | Confident | 42 Ų | 42 | 75.3 Ų | 75.3 | 26% | 0.255 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.8 | -46.6 | 178.3 | 175.1 | 0 | 0 | 0 | 0 | 110.3 | K24 K25 I26 F30 S31 I32 Y90 | K24-V28 VanDerWaalsContact O-CG2 3.24Å; K24-V28 WeakPolarHBondContact O-CG2 3.37Å; K25-V28 PolarHBondContact O-N 3.01Å; I26-V28 PolarHBondContact O-N 3.01Å; V28-F30 VanDerWaalsContact C-N 3.34Å; V28-F30 PolarHBondContact O-N 3.44Å; V28-S31 WeakPolarHBondContact O-CB 3.47Å; V28-S31 PolarHBondContact O-N 3.27Å; V28-S31 VanDerWaalsContact O-N 3.13Å; V28-I32 HydrophobicContact CG1-CD1 3.72Å; V28-I32 HydrophobicContact CG1-CG1 4.36Å; V28-I32 WeakPolarHBondContact O-CG1 3.4Å; V28-I32 PolarHBondContact O-N 3.01Å; V28-Y90 HydrophobicContact CB-CD1 4.44Å; V28-Y90 HydrophobicContact CG2-CD1 3.36Å; V28-Y90 HydrophobicContact CG2-CE1 3.69Å; V28-Y90 HydrophobicContact CG2-CG 3.91Å |
| 29 | F | 77.9 | Confident | 73.5 | Confident | 134 Ų | 134 | 72.6 Ų | 72.6 | 59% | 0.588 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -57.8 | -45.8 | 178.4 | -77.1 | -68.1 | 0 | 0 | 0 | 111.7 | K25 I26 S31 I32 I33 | K25-F29 HydrophobicContact CB-CE2 4.5Å; K25-F29 WeakPolarHBondContact O-CD2 3.22Å; K25-F29 PolarHBondContact O-N 3.23Å; I26-F29 PolarHBondContact O-N 3.01Å; F29-S31 VanDerWaalsContact C-N 3.33Å; F29-S31 PolarHBondContact O-N 3.05Å; F29-I32 PolarHBondContact O-N 3.34Å; F29-I33 WeakPolarHBondContact O-CB 3.36Å; F29-I33 WeakPolarHBondContact O-CD1 3.28Å; F29-I33 WeakPolarHBondContact O-CG1 3.38Å; F29-I33 PolarHBondContact O-N 3.49Å |
| 30 | F | 77.4 | Confident | 75.3 | Confident | 89 Ų | 89 | 74.9 Ų | 74.9 | 39% | 0.39 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 176.1 | -81.1 | -66.8 | 0 | 0 | 0 | 112.6 | I26 V28 I33 F34 | I26-F30 HydrophobicContact CG2-CD2 3.76Å; I26-F30 HydrophobicContact CG2-CE2 3.47Å; I26-F30 VanDerWaalsContact CG2-CE2 3.47Å; I26-F30 WeakPolarHBondContact O-CD2 3.37Å; I26-F30 PolarHBondContact O-N 2.91Å; V28-F30 VanDerWaalsContact C-N 3.34Å; V28-F30 PolarHBondContact O-N 3.44Å; F30-I33 PolarHBondContact O-N 3.01Å; F30-F34 AromaticContact CD1-CE1 3.89Å; F30-F34 HydrophobicContact CD1-CE1 3.89Å; F30-F34 HydrophobicContact CD1-CZ 4.11Å; F30-F34 VanDerWaalsContact O-CB 3.31Å; F30-F34 WeakPolarHBondContact O-CB 3.25Å; F30-F34 VanDerWaalsContact O-CD1 3.31Å; F30-F34 WeakPolarHBondContact O-CD1 3.31Å; F30-F34 VanDerWaalsContact O-CG 3.29Å; F30-F34 WeakPolarHBondContact O-CG 3.42Å; F30-F34 PolarHBondContact O-N 3.4Å |
| 31 | S | 77.3 | Confident | 76.6 | Confident | 31 Ų | 31 | 73.8 Ų | 73.8 | 22% | 0.217 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 178.8 | -162.4 | 0 | 0 | 0 | 0 | 112.3 | S27 V28 F29 M35 | S27-S31 PolarHBondContact O-N 2.99Å; V28-S31 WeakPolarHBondContact O-CB 3.47Å; V28-S31 PolarHBondContact O-N 3.27Å; V28-S31 VanDerWaalsContact O-N 3.13Å; F29-S31 VanDerWaalsContact C-N 3.33Å; F29-S31 PolarHBondContact O-N 3.05Å; S31-M35 VanDerWaalsContact O-CB 3.3Å; S31-M35 WeakPolarHBondContact O-CB 3.47Å; S31-M35 PolarHBondContact O-N 3.47Å |
| 32 | I | 84.5 | Confident | 78.5 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 35% | 0.354 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 178.7 | -66.1 | 171.5 | 0 | 0 | 0 | 110.7 | V28 F29 T36 V87 | V28-I32 HydrophobicContact CG1-CD1 3.72Å; V28-I32 HydrophobicContact CG1-CG1 4.36Å; V28-I32 WeakPolarHBondContact O-CG1 3.4Å; V28-I32 PolarHBondContact O-N 3.01Å; F29-I32 PolarHBondContact O-N 3.34Å; I32-T36 WeakPolarHBondContact O-CB 3.37Å; I32-T36 PolarHBondContact O-N 3.46Å; I32-T36 PolarHBondContact O-OG1 2.89Å; I32-V87 HydrophobicContact CG1-CG2 4.29Å |
| 33 | I | 87.8 | Confident | 80.2 | Confident | 87 Ų | 87 | 66.6 Ų | 66.6 | 45% | 0.446 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 178.6 | -68.6 | 166.6 | 0 | 0 | 0 | 109.8 | F29 F30 M35 T36 V37 | F29-I33 WeakPolarHBondContact O-CB 3.36Å; F29-I33 WeakPolarHBondContact O-CD1 3.28Å; F29-I33 WeakPolarHBondContact O-CG1 3.38Å; F29-I33 PolarHBondContact O-N 3.49Å; F30-I33 PolarHBondContact O-N 3.01Å; I33-M35 PolarHBondContact O-N 3.22Å; I33-T36 PolarHBondContact O-N 3.46Å; I33-V37 HydrophobicContact CG2-CG2 4.08Å; I33-V37 WeakPolarHBondContact O-CB 3.33Å; I33-V37 VanDerWaalsContact O-CG2 3.25Å; I33-V37 WeakPolarHBondContact O-CG2 3.35Å; I33-V37 PolarHBondContact O-N 3.47Å |
| 34 | F | 87.1 | Confident | 81.8 | Confident | 25 Ų | 25 | 63.8 Ų | 63.8 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.1 | -39.7 | -176.1 | -75.6 | 17.8 | 0 | 0 | 0 | 111.7 | F30 G38 R288 W292 I295 | F30-F34 AromaticContact CD1-CE1 3.89Å; F30-F34 HydrophobicContact CD1-CE1 3.89Å; F30-F34 HydrophobicContact CD1-CZ 4.11Å; F30-F34 VanDerWaalsContact O-CB 3.31Å; F30-F34 WeakPolarHBondContact O-CB 3.25Å; F30-F34 VanDerWaalsContact O-CD1 3.31Å; F30-F34 WeakPolarHBondContact O-CD1 3.31Å; F30-F34 VanDerWaalsContact O-CG 3.29Å; F30-F34 WeakPolarHBondContact O-CG 3.42Å; F30-F34 PolarHBondContact O-N 3.4Å; F34-G38 PolarHBondContact O-N 3Å; F34-R288 HydrophobicContact CE2-CB 4.11Å; F34-R288 HydrophobicContact CE2-CG 4.27Å; F34-W292 HydrophobicContact CE1-CZ2 4.04Å; F34-W292 AromaticContact CE2-CD1 3.92Å; F34-W292 AromaticContact CE2-NE1 3.5Å; F34-W292 AromaticContact CZ-CE2 3.74Å; F34-W292 AromaticContact CZ-CZ2 3.96Å; F34-W292 HydrophobicContact CZ-CZ2 3.96Å; F34-W292 AromaticContact CZ-NE1 3.26Å; F34-W292 VanDerWaalsContact CZ-NE1 3.26Å; F34-I295 HydrophobicContact CB-CD1 4.34Å |
| 35 | M | 89.3 | Confident | 83.2 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 19% | 0.187 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.1 | -51.1 | 172.3 | 178.5 | -172.2 | 71.7 | 0 | 0 | 111.1 | S31 I33 G38 I39 G83 V87 | S31-M35 VanDerWaalsContact O-CB 3.3Å; S31-M35 WeakPolarHBondContact O-CB 3.47Å; S31-M35 PolarHBondContact O-N 3.47Å; I33-M35 PolarHBondContact O-N 3.22Å; M35-G38 PolarHBondContact O-N 2.93Å; M35-I39 HydrophobicContact CG-CD1 3.77Å; M35-I39 WeakPolarHBondContact O-CB 3.29Å; M35-I39 VanDerWaalsContact O-CG1 3.26Å; M35-I39 WeakPolarHBondContact O-CG1 3.5Å; M35-I39 PolarHBondContact O-N 3.39Å; M35-G83 VanDerWaalsContact SD-CA 3.52Å; M35-V87 HydrophobicContact CE-CG2 3.88Å; M35-V87 HydrophobicContact SD-CG2 3.95Å |
| 36 | T | 90.9 | Very high | 84.6 | Confident | 61 Ų | 61 | 51 Ų | 51 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.6 | -47.1 | -176 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | I32 I33 G38 I39 L40 | I32-T36 WeakPolarHBondContact O-CB 3.37Å; I32-T36 PolarHBondContact O-N 3.46Å; I32-T36 PolarHBondContact O-OG1 2.89Å; I33-T36 PolarHBondContact O-N 3.46Å; T36-G38 VanDerWaalsContact C-N 3.34Å; T36-G38 PolarHBondContact O-N 2.9Å; T36-I39 PolarHBondContact O-N 3.38Å; T36-L40 HydrophobicContact CG2-CD1 4.02Å; T36-L40 WeakPolarHBondContact O-CB 3.37Å; T36-L40 VanDerWaalsContact O-CG 3.27Å; T36-L40 WeakPolarHBondContact O-CG 3.3Å; T36-L40 PolarHBondContact O-N 3.35Å |
| 37 | V | 92.4 | Very high | 85.6 | Confident | 67 Ų | 67 | 49.4 Ų | 49.4 | 41% | 0.406 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | I33 L40 S41 I295 | I33-V37 HydrophobicContact CG2-CG2 4.08Å; I33-V37 WeakPolarHBondContact O-CB 3.33Å; I33-V37 VanDerWaalsContact O-CG2 3.25Å; I33-V37 WeakPolarHBondContact O-CG2 3.35Å; I33-V37 PolarHBondContact O-N 3.47Å; V37-L40 PolarHBondContact O-N 2.91Å; V37-S41 WeakPolarHBondContact O-CB 3.26Å; V37-S41 PolarHBondContact O-N 2.76Å; V37-I295 HydrophobicContact CG1-CG2 3.8Å |
| 38 | G | 91.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F34 M35 T36 N42 | F34-G38 PolarHBondContact O-N 3Å; M35-G38 PolarHBondContact O-N 2.93Å; T36-G38 VanDerWaalsContact C-N 3.34Å; T36-G38 PolarHBondContact O-N 2.9Å; G38-N42 WeakPolarHBondContact O-CB 3.45Å; G38-N42 PolarHBondContact O-N 3.41Å; G38-N42 PolarHBondContact O-ND2 3.38Å |
| 39 | I | 93.6 | Very high | 86.7 | Confident | 42 Ų | 42 | 49.1 Ų | 49.1 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64 | -48.7 | 176.7 | -69.2 | 168.1 | 0 | 0 | 0 | 110.7 | M35 T36 S43 L76 H79 L80 | M35-I39 HydrophobicContact CG-CD1 3.77Å; M35-I39 WeakPolarHBondContact O-CB 3.29Å; M35-I39 VanDerWaalsContact O-CG1 3.26Å; M35-I39 WeakPolarHBondContact O-CG1 3.5Å; M35-I39 PolarHBondContact O-N 3.39Å; T36-I39 PolarHBondContact O-N 3.38Å; I39-S43 WeakPolarHBondContact O-CB 3.16Å; I39-S43 PolarHBondContact O-N 3Å; I39-S43 PolarHBondContact O-OG 3.47Å; I39-L76 HydrophobicContact CB-CD1 4.3Å; I39-L76 HydrophobicContact CG1-CD1 4.36Å; I39-L76 HydrophobicContact CG2-CD1 4.03Å; I39-H79 HydrophobicContact CG1-CB 3.91Å; I39-L80 HydrophobicContact CD1-CD1 4.3Å |
| 40 | L | 92.4 | Very high | 86.6 | Confident | 114 Ų | 114 | 47.4 Ų | 47.4 | 60% | 0.597 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.1 | -45.1 | 179.8 | -70.2 | 174.1 | 0 | 0 | 0 | 111.6 | T36 V37 L44 | T36-L40 HydrophobicContact CG2-CD1 4.02Å; T36-L40 WeakPolarHBondContact O-CB 3.37Å; T36-L40 VanDerWaalsContact O-CG 3.27Å; T36-L40 WeakPolarHBondContact O-CG 3.3Å; T36-L40 PolarHBondContact O-N 3.35Å; V37-L40 PolarHBondContact O-N 2.91Å; L40-L44 VanDerWaalsContact O-CB 3.3Å; L40-L44 WeakPolarHBondContact O-CB 3.36Å; L40-L44 PolarHBondContact O-N 3.5Å |
| 41 | S | 89.9 | Confident | 86.5 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 5% | 0.049 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.9 | -56.1 | 176.9 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | V37 L44 A45 I295 W299 | V37-S41 WeakPolarHBondContact O-CB 3.26Å; V37-S41 PolarHBondContact O-N 2.76Å; S41-L44 PolarHBondContact O-N 3.42Å; S41-A45 WeakPolarHBondContact O-CB 3.39Å; S41-A45 PolarHBondContact O-N 2.84Å; S41-I295 PolarHBondContact OG-O 2.95Å; S41-W299 PolarHBondContact OG-NE1 2.82Å |
| 42 | N | 91.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.9 | -35.6 | -176.6 | -76.1 | -71.9 | 0 | 0 | 0 | 112.2 | G38 L44 A45 I46 V72 L76 Q294 | G38-N42 WeakPolarHBondContact O-CB 3.45Å; G38-N42 PolarHBondContact O-N 3.41Å; G38-N42 PolarHBondContact O-ND2 3.38Å; N42-L44 PolarHBondContact O-N 2.97Å; N42-A45 WeakPolarHBondContact O-CB 3.47Å; N42-A45 PolarHBondContact O-N 2.99Å; N42-I46 WeakPolarHBondContact O-CG1 3.36Å; N42-I46 PolarHBondContact O-N 3.22Å; N42-V72 HydrophobicContact CB-CG1 3.85Å; N42-V72 WeakPolarHBondContact O-CG1 3.49Å; N42-V72 WeakPolarHBondContact OD1-CG1 3.44Å; N42-L76 HydrophobicContact CB-CB 3.97Å; N42-L76 HydrophobicContact CB-CD1 4.27Å; N42-Q294 PolarHBondContact ND2-O 2.93Å |
| 43 | S | 90.8 | Very high | 85.6 | Confident | 50 Ų | 50 | 52.1 Ų | 52.1 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 174.6 | -60 | 0 | 0 | 0 | 0 | 112 | I39 A45 I46 A47 | I39-S43 WeakPolarHBondContact O-CB 3.16Å; I39-S43 PolarHBondContact O-N 3Å; I39-S43 PolarHBondContact O-OG 3.47Å; S43-A45 VanDerWaalsContact C-N 3.34Å; S43-I46 PolarHBondContact O-N 3.45Å; S43-A47 PolarHBondContact O-N 3.28Å |
| 44 | L | 87.9 | Confident | 84.7 | Confident | 83 Ų | 83 | 54.9 Ų | 54.9 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 175.8 | 180 | 51.9 | 0 | 0 | 0 | 111.3 | L40 S41 N42 A47 I48 W299 | L40-L44 VanDerWaalsContact O-CB 3.3Å; L40-L44 WeakPolarHBondContact O-CB 3.36Å; L40-L44 PolarHBondContact O-N 3.5Å; S41-L44 PolarHBondContact O-N 3.42Å; N42-L44 PolarHBondContact O-N 2.97Å; L44-A47 PolarHBondContact O-N 2.91Å; L44-I48 HydrophobicContact CD1-CD1 4.2Å; L44-I48 HydrophobicContact CD1-CG1 4.38Å; L44-I48 HydrophobicContact CG-CD1 4.16Å; L44-I48 WeakPolarHBondContact O-CG1 3.35Å; L44-I48 PolarHBondContact O-N 3.35Å; L44-W299 HydrophobicContact CD2-CH2 3.56Å; L44-W299 HydrophobicContact CD2-CZ2 4.09Å; L44-W299 HydrophobicContact CG-CH2 3.94Å |
| 45 | A | 86.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S41 N42 S43 A47 I48 L49 V72 P298 I302 | S41-A45 WeakPolarHBondContact O-CB 3.39Å; S41-A45 PolarHBondContact O-N 2.84Å; N42-A45 WeakPolarHBondContact O-CB 3.47Å; N42-A45 PolarHBondContact O-N 2.99Å; S43-A45 VanDerWaalsContact C-N 3.34Å; A45-A47 PolarHBondContact O-N 3.09Å; A45-I48 PolarHBondContact O-N 3.3Å; A45-L49 WeakPolarHBondContact O-CB 3.21Å; A45-L49 VanDerWaalsContact O-CG 3.3Å; A45-L49 WeakPolarHBondContact O-CG 3.27Å; A45-L49 PolarHBondContact O-N 3.24Å; A45-V72 HydrophobicContact CB-CG1 3.75Å; A45-V72 HydrophobicContact CB-CG2 4.25Å; A45-P298 HydrophobicContact CB-CB 3.33Å; A45-P298 HydrophobicContact CB-CG 4.2Å; A45-I302 HydrophobicContact CB-CD1 3.63Å |
| 46 | I | 86.8 | Confident | 82.4 | Confident | 45 Ų | 45 | 64.6 Ų | 64.6 | 23% | 0.231 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | 173.3 | -68.3 | 172.3 | 0 | 0 | 0 | 110.4 | N42 S43 I48 L49 M50 V72 I73 L76 | N42-I46 WeakPolarHBondContact O-CG1 3.36Å; N42-I46 PolarHBondContact O-N 3.22Å; S43-I46 PolarHBondContact O-N 3.45Å; I46-I48 VanDerWaalsContact C-N 3.29Å; I46-I48 PolarHBondContact O-N 2.88Å; I46-L49 PolarHBondContact O-N 2.94Å; I46-M50 HydrophobicContact CG2-CG 4.03Å; I46-M50 WeakPolarHBondContact O-CB 3.49Å; I46-M50 VanDerWaalsContact O-CG 3.26Å; I46-M50 WeakPolarHBondContact O-CG 3.34Å; I46-M50 PolarHBondContact O-N 2.82Å; I46-V72 HydrophobicContact CD1-CG1 4.21Å; I46-V72 HydrophobicContact CG1-CB 4.36Å; I46-V72 HydrophobicContact CG1-CG1 3.53Å; I46-I73 HydrophobicContact CD1-CG1 3.93Å; I46-I73 HydrophobicContact CG1-CG1 4.45Å; I46-L76 HydrophobicContact CD1-CD2 3.69Å |
| 47 | A | 83.1 | Confident | 80.7 | Confident | 49 Ų | 49 | 72.5 Ų | 72.5 | 41% | 0.405 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.5 | -40.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S43 L44 A45 K51 | S43-A47 PolarHBondContact O-N 3.28Å; L44-A47 PolarHBondContact O-N 2.91Å; A45-A47 PolarHBondContact O-N 3.09Å; A47-K51 WeakPolarHBondContact O-CG 3.3Å; A47-K51 PolarHBondContact O-N 3.11Å |
| 48 | I | 81.7 | Confident | 78.9 | Confident | 31 Ų | 31 | 75.9 Ų | 75.9 | 16% | 0.159 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67 | -46.4 | 175.7 | -66.2 | 167.1 | 0 | 0 | 0 | 110.8 | L44 A45 I46 M50 K51 A52 I302 V308 | L44-I48 HydrophobicContact CD1-CD1 4.2Å; L44-I48 HydrophobicContact CD1-CG1 4.38Å; L44-I48 HydrophobicContact CG-CD1 4.16Å; L44-I48 WeakPolarHBondContact O-CG1 3.35Å; L44-I48 PolarHBondContact O-N 3.35Å; A45-I48 PolarHBondContact O-N 3.3Å; I46-I48 VanDerWaalsContact C-N 3.29Å; I46-I48 PolarHBondContact O-N 2.88Å; I48-M50 PolarHBondContact O-N 3.39Å; I48-K51 PolarHBondContact O-N 3.19Å; I48-A52 WeakPolarHBondContact O-CB 3.3Å; I48-A52 PolarHBondContact O-N 3Å; I48-I302 HydrophobicContact CD1-CG2 4.28Å; I48-I302 HydrophobicContact CG2-CG2 3.96Å; I48-V308 HydrophobicContact CG2-CG1 4.19Å |
| 49 | L | 79.4 | Confident | 77.1 | Confident | 10 Ų | 10 | 85 Ų | 85 | 5% | 0.052 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 179.5 | -76.5 | 169 | 0 | 0 | 0 | 111.9 | A45 I46 A52 Y53 L65 A68 V72 I302 | A45-L49 WeakPolarHBondContact O-CB 3.21Å; A45-L49 VanDerWaalsContact O-CG 3.3Å; A45-L49 WeakPolarHBondContact O-CG 3.27Å; A45-L49 PolarHBondContact O-N 3.24Å; I46-L49 PolarHBondContact O-N 2.94Å; L49-A52 CarbonylContact O-C 3.32Å; L49-A52 PolarHBondContact O-N 2.84Å; L49-Y53 VanDerWaalsContact O-CB 3.32Å; L49-Y53 WeakPolarHBondContact O-CB 3.38Å; L49-Y53 PolarHBondContact O-N 3.26Å; L49-L65 HydrophobicContact CD2-CD2 3.68Å; L49-A68 HydrophobicContact CD1-CB 4.41Å; L49-A68 HydrophobicContact CD2-CB 4.26Å; L49-V72 HydrophobicContact CD1-CB 4.44Å; L49-V72 HydrophobicContact CD1-CG2 4.02Å; L49-I302 HydrophobicContact CG-CD1 4.38Å |
| 50 | M | 76.8 | Confident | 75.2 | Confident | 97 Ų | 97 | 86.8 Ų | 86.8 | 48% | 0.478 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 176.8 | -75.3 | -63.4 | -69.6 | 0 | 0 | 111.8 | I46 I48 A52 Y53 Q54 | I46-M50 HydrophobicContact CG2-CG 4.03Å; I46-M50 WeakPolarHBondContact O-CB 3.49Å; I46-M50 VanDerWaalsContact O-CG 3.26Å; I46-M50 WeakPolarHBondContact O-CG 3.34Å; I46-M50 PolarHBondContact O-N 2.82Å; I48-M50 PolarHBondContact O-N 3.39Å; M50-A52 VanDerWaalsContact C-N 3.32Å; M50-A52 PolarHBondContact O-N 3.07Å; M50-Y53 PolarHBondContact O-N 3.24Å; M50-Q54 WeakPolarHBondContact O-CG 3.26Å; M50-Q54 PolarHBondContact O-N 3.38Å |
| 51 | K | 74.5 | Confident | 73.8 | Confident | 157 Ų | 157 | 85.4 Ų | 85.4 | 68% | 0.683 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.6 | -39.9 | 174 | -74.3 | -176.4 | 178.2 | -178.6 | 0 | 111.7 | A47 I48 R55 | A47-K51 WeakPolarHBondContact O-CG 3.3Å; A47-K51 PolarHBondContact O-N 3.11Å; I48-K51 PolarHBondContact O-N 3.19Å; K51-R55 WeakPolarHBondContact O-CB 3.31Å; K51-R55 PolarHBondContact O-N 2.89Å; K51-R55 VanDerWaalsContact O-N 3.12Å |
| 52 | A | 72.5 | Confident | 72.8 | Confident | 23 Ų | 23 | 85.6 Ų | 85.6 | 19% | 0.19 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | I48 L49 M50 R55 F56 L65 | I48-A52 WeakPolarHBondContact O-CB 3.3Å; I48-A52 PolarHBondContact O-N 3Å; L49-A52 CarbonylContact O-C 3.32Å; L49-A52 PolarHBondContact O-N 2.84Å; M50-A52 VanDerWaalsContact C-N 3.32Å; M50-A52 PolarHBondContact O-N 3.07Å; A52-R55 PolarHBondContact O-N 2.76Å; A52-F56 HydrophobicContact CB-CD2 4.46Å; A52-F56 WeakPolarHBondContact O-CB 3.31Å; A52-F56 WeakPolarHBondContact O-CD2 3.38Å; A52-F56 PolarHBondContact O-N 3.45Å; A52-L65 HydrophobicContact CB-CD2 4.38Å |
| 53 | Y | 70.3 | Confident | 72 | Confident | 108 Ų | 108 | 85.7 Ų | 85.7 | 42% | 0.424 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 177.6 | -176.4 | -96.9 | 0 | 0 | 0 | 111.7 | L49 M50 R55 L66 | L49-Y53 VanDerWaalsContact O-CB 3.32Å; L49-Y53 WeakPolarHBondContact O-CB 3.38Å; L49-Y53 PolarHBondContact O-N 3.26Å; M50-Y53 PolarHBondContact O-N 3.24Å; Y53-R55 VanDerWaalsContact C-N 3.32Å; Y53-R55 PolarHBondContact O-N 3.49Å; Y53-L66 HydrophobicContact CE2-CD2 4.43Å |
| 54 | Q | 70.3 | Confident | 71.4 | Confident | 145 Ų | 145 | 83.9 Ų | 83.9 | 68% | 0.678 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.7 | -39.9 | 175.3 | -70.7 | 174.4 | -9.3 | 0 | 0 | 112 | M50 | M50-Q54 WeakPolarHBondContact O-CG 3.26Å; M50-Q54 PolarHBondContact O-N 3.38Å |
| 55 | R | 67 | Low | 71 | Confident | 188 Ų | 188 | 80.3 Ų | 80.3 | 71% | 0.709 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -78.2 | -34.1 | -177.1 | -169.8 | 174 | -171.4 | 168.9 | 5.5 | 114.2 | K51 A52 Y53 | K51-R55 WeakPolarHBondContact O-CB 3.31Å; K51-R55 PolarHBondContact O-N 2.89Å; K51-R55 VanDerWaalsContact O-N 3.12Å; A52-R55 PolarHBondContact O-N 2.76Å; Y53-R55 VanDerWaalsContact C-N 3.32Å; Y53-R55 PolarHBondContact O-N 3.49Å |
| 56 | F | 59.5 | Low | 70.8 | Confident | 80 Ų | 80 | 81.9 Ų | 81.9 | 35% | 0.351 | 38% | 0.38 | S | S | . | . | trans | -112.8 | 44.8 | -170.6 | -67.6 | -72.4 | 0 | 0 | 0 | 113.1 | A52 Q58 | A52-F56 HydrophobicContact CB-CD2 4.46Å; A52-F56 WeakPolarHBondContact O-CB 3.31Å; A52-F56 WeakPolarHBondContact O-CD2 3.38Å; A52-F56 PolarHBondContact O-N 3.45Å; F56-Q58 PolarHBondContact O-N 3.44Å | ||
| 57 | R | 55.8 | Low | 70.8 | Confident | 227 Ų | 227 | 79.8 Ų | 79.8 | 86% | 0.857 | 37% | 0.37 | S | S | * | . | trans | -57.8 | 2 | 177.7 | -156 | 177.8 | 179.1 | 177.1 | 0.1 | 115.1 | K59 | R57-K59 PolarHBondContact O-N 2.94Š| ||
| 58 | Q | 54.2 | Low | 71.1 | Confident | 138 Ų | 138 | 77.6 Ų | 77.6 | 65% | 0.645 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -64.3 | 127.1 | 171.3 | -69.1 | -172.9 | -3.8 | 0 | 0 | 110.8 | F56 S60 K61 | F56-Q58 PolarHBondContact O-N 3.44Å; Q58-S60 PolarHBondContact O-N 3.39Å; Q58-K61 PolarHBondContact O-N 3.19Å |
| 59 | K | 54.7 | Low | 71.3 | Confident | 191 Ų | 191 | 77.5 Ų | 77.5 | 83% | 0.83 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -52.3 | -30 | -167.7 | -69.5 | -175.1 | 176.7 | 177.4 | 0 | 115.3 | R57 K61 | R57-K59 PolarHBondContact O-N 2.94Å; K59-K61 PolarHBondContact O-N 2.94Å |
| 60 | S | 52.8 | Low | 71.9 | Confident | 79 Ų | 79 | 77.4 Ų | 77.4 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -72.8 | -26 | -174.9 | 59.4 | 0 | 0 | 0 | 0 | 115 | Q58 | Q58-S60 PolarHBondContact O-N 3.39Å |
| 61 | K | 63.4 | Low | 72.7 | Confident | 85 Ų | 85 | 72.8 Ų | 72.8 | 37% | 0.37 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -97.8 | -9 | 179.9 | -67.7 | -179.7 | -179.1 | 171.7 | 0 | 113.3 | Q58 K59 L65 | Q58-K61 PolarHBondContact O-N 3.19Å; K59-K61 PolarHBondContact O-N 2.94Å; K61-L65 VanDerWaalsContact O-CG 3.27Å; K61-L65 WeakPolarHBondContact O-CG 3.34Å; K61-L65 PolarHBondContact O-N 3.2Å |
| 62 | A | 69 | Low | 73.5 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.4 | -37.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L65 L66 | A62-L65 PolarHBondContact O-N 3.47Å; A62-L66 WeakPolarHBondContact O-CB 3.26Å; A62-L66 VanDerWaalsContact O-CG 3.25Å; A62-L66 WeakPolarHBondContact O-CG 3.47Å; A62-L66 PolarHBondContact O-N 3.19Å |
| 63 | S | 74.4 | Confident | 74.5 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.014 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.4 | -51.9 | 179.9 | -59 | 0 | 0 | 0 | 0 | 112.2 | L65 L66 L67 | S63-L65 PolarHBondContact O-N 3.37Å; S63-L66 PolarHBondContact O-N 3.47Å; S63-L67 PolarHBondContact O-N 3.15Å; S63-L67 VanDerWaalsContact O-N 3.14Å |
| 64 | F | 78.3 | Confident | 75.7 | Confident | 12 Ų | 12 | 63.3 Ų | 63.3 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.8 | -45 | 175.8 | 174.5 | -104.1 | 0 | 0 | 0 | 112.3 | L66 L67 A68 R131 | F64-L66 VanDerWaalsContact C-N 3.32Å; F64-L66 PolarHBondContact O-N 2.9Å; F64-L67 PolarHBondContact O-N 3.31Å; F64-A68 HydrophobicContact CZ-CB 4.27Å; F64-A68 VanDerWaalsContact O-CB 3.31Å; F64-A68 WeakPolarHBondContact O-CB 3.49Å; F64-A68 PolarHBondContact O-N 2.97Å; F64-R131 VanDerWaalsContact CZ-NH2 3.33Å |
| 65 | L | 79.1 | Confident | 76.9 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -36.2 | 179.7 | -72 | 171.9 | 0 | 0 | 0 | 112.3 | L49 A52 K61 A62 S63 S69 | L49-L65 HydrophobicContact CD2-CD2 3.68Å; A52-L65 HydrophobicContact CB-CD2 4.38Å; K61-L65 VanDerWaalsContact O-CG 3.27Å; K61-L65 WeakPolarHBondContact O-CG 3.34Å; K61-L65 PolarHBondContact O-N 3.2Å; A62-L65 PolarHBondContact O-N 3.47Å; S63-L65 PolarHBondContact O-N 3.37Å; L65-S69 VanDerWaalsContact O-CB 3.3Å; L65-S69 WeakPolarHBondContact O-CB 3.27Å; L65-S69 PolarHBondContact O-N 3.26Å; L65-S69 PolarHBondContact O-OG 2.84Å |
| 66 | L | 84.2 | Confident | 78.2 | Confident | 33 Ų | 33 | 49 Ų | 49 | 17% | 0.173 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.4 | -45.1 | 176.9 | -75.4 | 170.6 | 0 | 0 | 0 | 112 | Y53 A62 S63 F64 S69 G70 V150 | Y53-L66 HydrophobicContact CE2-CD2 4.43Å; A62-L66 WeakPolarHBondContact O-CB 3.26Å; A62-L66 VanDerWaalsContact O-CG 3.25Å; A62-L66 WeakPolarHBondContact O-CG 3.47Å; A62-L66 PolarHBondContact O-N 3.19Å; S63-L66 PolarHBondContact O-N 3.47Å; F64-L66 VanDerWaalsContact C-N 3.32Å; F64-L66 PolarHBondContact O-N 2.9Å; L66-S69 PolarHBondContact O-N 3.48Å; L66-G70 PolarHBondContact O-N 2.9Å; L66-V150 HydrophobicContact CB-CG1 3.95Å; L66-V150 HydrophobicContact CD1-CG1 4.47Å |
| 67 | L | 87 | Confident | 79.9 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -45.3 | 176.4 | -70.1 | 171 | 0 | 0 | 0 | 111.7 | S63 F64 S69 G70 L71 V126 M127 E130 V150 | S63-L67 PolarHBondContact O-N 3.15Å; S63-L67 VanDerWaalsContact O-N 3.14Å; F64-L67 PolarHBondContact O-N 3.31Å; L67-S69 VanDerWaalsContact C-N 3.3Å; L67-S69 PolarHBondContact O-N 2.82Å; L67-G70 PolarHBondContact O-N 3.46Å; L67-L71 PolarHBondContact O-N 3.27Å; L67-V126 HydrophobicContact CD1-CG1 4.02Å; L67-V126 HydrophobicContact CD2-CG1 4.11Å; L67-M127 HydrophobicContact CB-CG 3.67Å; L67-M127 HydrophobicContact CB-SD 4.18Å; L67-M127 HydrophobicContact CD1-CG 4.08Å; L67-M127 HydrophobicContact CG-CG 4.45Å; L67-E130 HydrophobicContact CD1-CB 4.46Å; L67-E130 HydrophobicContact CD1-CG 4.5Å; L67-V150 HydrophobicContact CD1-CG1 4.39Å; L67-V150 HydrophobicContact CD2-CG1 3.93Å; L67-V150 HydrophobicContact CG-CG1 3.71Å |
| 68 | A | 87.8 | Confident | 81.8 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L49 F64 L71 V72 | L49-A68 HydrophobicContact CD1-CB 4.41Å; L49-A68 HydrophobicContact CD2-CB 4.26Å; F64-A68 HydrophobicContact CZ-CB 4.27Å; F64-A68 VanDerWaalsContact O-CB 3.31Å; F64-A68 WeakPolarHBondContact O-CB 3.49Å; F64-A68 PolarHBondContact O-N 2.97Å; A68-L71 PolarHBondContact O-N 2.94Å; A68-V72 VanDerWaalsContact O-CG2 3.29Å; A68-V72 WeakPolarHBondContact O-CG2 3.32Å; A68-V72 PolarHBondContact O-N 3.5Å |
| 69 | S | 87.4 | Confident | 83.7 | Confident | 28 Ų | 28 | 33.4 Ų | 33.4 | 20% | 0.196 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.7 | -42.8 | 175.1 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | L65 L66 L67 L71 V72 I73 | L65-S69 VanDerWaalsContact O-CB 3.3Å; L65-S69 WeakPolarHBondContact O-CB 3.27Å; L65-S69 PolarHBondContact O-N 3.26Å; L65-S69 PolarHBondContact O-OG 2.84Å; L66-S69 PolarHBondContact O-N 3.48Å; L67-S69 VanDerWaalsContact C-N 3.3Å; L67-S69 PolarHBondContact O-N 2.82Å; S69-L71 VanDerWaalsContact C-N 3.34Å; S69-L71 PolarHBondContact O-N 2.91Å; S69-V72 PolarHBondContact O-N 2.72Å; S69-I73 WeakPolarHBondContact O-CB 3.25Å; S69-I73 WeakPolarHBondContact O-CD1 3.41Å; S69-I73 WeakPolarHBondContact O-CG1 3.46Å; S69-I73 PolarHBondContact O-N 3.43Å |
| 70 | G | 91.1 | Very high | 85.6 | Confident | 8 Ų | 8 | 28.5 Ų | 28.5 | 8% | 0.082 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.4 | -41.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | L66 L67 T74 | L66-G70 PolarHBondContact O-N 2.9Å; L67-G70 PolarHBondContact O-N 3.46Å; G70-T74 WeakPolarHBondContact O-CB 3.14Å; G70-T74 PolarHBondContact O-N 3.06Å; G70-T74 PolarHBondContact O-OG1 2.85Å |
| 71 | L | 92.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.8 | -57.2 | 174.5 | -178 | 78.2 | 0 | 0 | 0 | 111.4 | L67 A68 S69 I73 T74 D75 P120 L123 M127 D297 Y301 | L67-L71 PolarHBondContact O-N 3.27Å; A68-L71 PolarHBondContact O-N 2.94Å; S69-L71 VanDerWaalsContact C-N 3.34Å; S69-L71 PolarHBondContact O-N 2.91Å; L71-I73 VanDerWaalsContact C-N 3.28Å; L71-I73 PolarHBondContact O-N 3.47Å; L71-T74 CarbonylContact O-C 3.36Å; L71-T74 WeakPolarHBondContact O-CA 3.43Å; L71-T74 WeakPolarHBondContact O-CB 3.49Å; L71-T74 PolarHBondContact O-N 2.85Å; L71-D75 PolarHBondContact O-N 3.39Å; L71-P120 HydrophobicContact CD1-CB 3.77Å; L71-L123 HydrophobicContact CB-CD1 4.33Å; L71-L123 HydrophobicContact CD1-CB 3.88Å; L71-L123 HydrophobicContact CD1-CD1 4.31Å; L71-M127 HydrophobicContact CB-CE 4.36Å; L71-M127 HydrophobicContact CD1-CE 4.28Å; L71-M127 HydrophobicContact CD2-CE 3.56Å; L71-M127 HydrophobicContact CG-CE 4.28Å; L71-D297 HydrophobicContact CD2-CB 4.17Å; L71-D297 WeakPolarHBondContact CD2-OD2 3.32Å; L71-Y301 HydrophobicContact CD2-CD2 4.02Å; L71-Y301 HydrophobicContact CD2-CE2 3.49Å; L71-Y301 VanDerWaalsContact CD2-CE2 3.49Å |
| 72 | V | 92.6 | Very high | 89 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.8 | -35.4 | -176.3 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | N42 A45 I46 L49 A68 S69 L76 P298 | N42-V72 HydrophobicContact CB-CG1 3.85Å; N42-V72 WeakPolarHBondContact O-CG1 3.49Å; N42-V72 WeakPolarHBondContact OD1-CG1 3.44Å; A45-V72 HydrophobicContact CB-CG1 3.75Å; A45-V72 HydrophobicContact CB-CG2 4.25Å; I46-V72 HydrophobicContact CD1-CG1 4.21Å; I46-V72 HydrophobicContact CG1-CB 4.36Å; I46-V72 HydrophobicContact CG1-CG1 3.53Å; L49-V72 HydrophobicContact CD1-CB 4.44Å; L49-V72 HydrophobicContact CD1-CG2 4.02Å; A68-V72 VanDerWaalsContact O-CG2 3.29Å; A68-V72 WeakPolarHBondContact O-CG2 3.32Å; A68-V72 PolarHBondContact O-N 3.5Å; S69-V72 PolarHBondContact O-N 2.72Å; V72-L76 VanDerWaalsContact O-CB 3.29Å; V72-L76 WeakPolarHBondContact O-CB 3.15Å; V72-L76 PolarHBondContact O-N 3.5Å; V72-P298 HydrophobicContact CG2-CB 3.97Å |
| 73 | I | 93.7 | Very high | 90.1 | Very high | 75 Ų | 75 | 24.2 Ų | 24.2 | 39% | 0.385 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 172.6 | -71.4 | 166.7 | 0 | 0 | 0 | 110.4 | I46 S69 L71 L76 F77 | I46-I73 HydrophobicContact CD1-CG1 3.93Å; I46-I73 HydrophobicContact CG1-CG1 4.45Å; S69-I73 WeakPolarHBondContact O-CB 3.25Å; S69-I73 WeakPolarHBondContact O-CD1 3.41Å; S69-I73 WeakPolarHBondContact O-CG1 3.46Å; S69-I73 PolarHBondContact O-N 3.43Å; L71-I73 VanDerWaalsContact C-N 3.28Å; L71-I73 PolarHBondContact O-N 3.47Å; I73-L76 PolarHBondContact O-N 3.37Å; I73-F77 HydrophobicContact CG2-CD2 3.68Å; I73-F77 HydrophobicContact CG2-CE2 3.63Å; I73-F77 WeakPolarHBondContact O-CD2 3.34Å; I73-F77 PolarHBondContact O-N 3.49Å |
| 74 | T | 95.1 | Very high | 90.9 | Very high | 12 Ų | 12 | 26.7 Ų | 26.7 | 7% | 0.074 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 177.9 | -57.4 | 0 | 0 | 0 | 0 | 111 | G70 L71 F77 G78 F115 F116 C119 P120 | G70-T74 WeakPolarHBondContact O-CB 3.14Å; G70-T74 PolarHBondContact O-N 3.06Å; G70-T74 PolarHBondContact O-OG1 2.85Å; L71-T74 CarbonylContact O-C 3.36Å; L71-T74 WeakPolarHBondContact O-CA 3.43Å; L71-T74 WeakPolarHBondContact O-CB 3.49Å; L71-T74 PolarHBondContact O-N 2.85Å; T74-F77 PolarHBondContact O-N 3.3Å; T74-G78 PolarHBondContact O-N 3.32Å; T74-F115 HydrophobicContact CG2-CE1 4.37Å; T74-F116 HydrophobicContact CG2-CD1 3.81Å; T74-F116 HydrophobicContact CG2-CE1 4.18Å; T74-F116 WeakPolarHBondContact O-CD1 3.47Å; T74-F116 VanDerWaalsContact O-CE1 3.27Å; T74-F116 WeakPolarHBondContact O-CE1 3.4Å; T74-C119 HydrophobicContact CG2-CB 4Å; T74-P120 HydrophobicContact CG2-CG 4.04Å |
| 75 | D | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 177.6 | -66.7 | -23.2 | 0 | 0 | 0 | 111.8 | L71 G78 H79 P120 Q294 | L71-D75 PolarHBondContact O-N 3.39Å; D75-G78 PolarHBondContact O-N 3.5Å; D75-H79 PolarHBondContact O-CD2 2.96Å; D75-H79 PolarHBondContact O-N 3.15Å; D75-P120 WeakPolarHBondContact OD1-CG 3.42Å; D75-Q294 HydrophobicContact CB-CB 4.32Å |
| 76 | L | 95.1 | Very high | 92.1 | Very high | 34 Ų | 34 | 27.3 Ų | 27.3 | 18% | 0.178 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.2 | -48.9 | 175.3 | 179.7 | 62.3 | 0 | 0 | 0 | 111.6 | I39 N42 I46 V72 I73 G78 H79 L80 | I39-L76 HydrophobicContact CB-CD1 4.3Å; I39-L76 HydrophobicContact CG1-CD1 4.36Å; I39-L76 HydrophobicContact CG2-CD1 4.03Å; N42-L76 HydrophobicContact CB-CB 3.97Å; N42-L76 HydrophobicContact CB-CD1 4.27Å; I46-L76 HydrophobicContact CD1-CD2 3.69Å; V72-L76 VanDerWaalsContact O-CB 3.29Å; V72-L76 WeakPolarHBondContact O-CB 3.15Å; V72-L76 PolarHBondContact O-N 3.5Å; I73-L76 PolarHBondContact O-N 3.37Å; L76-G78 VanDerWaalsContact C-N 3.27Å; L76-G78 PolarHBondContact O-N 3.31Å; L76-H79 PolarHBondContact O-N 2.87Å; L76-L80 WeakPolarHBondContact O-CB 3.27Å; L76-L80 PolarHBondContact O-N 3.07Å |
| 77 | F | 95.6 | Very high | 92.3 | Very high | 105 Ų | 105 | 28 Ų | 28 | 46% | 0.461 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.6 | -34.7 | 175.7 | -81.1 | -65.9 | 0 | 0 | 0 | 111.8 | I73 T74 L80 I81 F116 | I73-F77 HydrophobicContact CG2-CD2 3.68Å; I73-F77 HydrophobicContact CG2-CE2 3.63Å; I73-F77 WeakPolarHBondContact O-CD2 3.34Å; I73-F77 PolarHBondContact O-N 3.49Å; T74-F77 PolarHBondContact O-N 3.3Å; F77-L80 PolarHBondContact O-N 3.34Å; F77-I81 HydrophobicContact CB-CD1 4.44Å; F77-I81 HydrophobicContact CD1-CD1 4.31Å; F77-I81 VanDerWaalsContact O-CB 3.31Å; F77-I81 WeakPolarHBondContact O-CB 3.42Å; F77-I81 WeakPolarHBondContact O-CG1 3.27Å; F77-I81 PolarHBondContact O-N 2.92Å; F77-F116 HydrophobicContact CB-CE1 3.63Å; F77-F116 HydrophobicContact CB-CZ 3.68Å |
| 78 | G | 94.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.9 | -51 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T74 D75 L76 N82 F116 | T74-G78 PolarHBondContact O-N 3.32Å; D75-G78 PolarHBondContact O-N 3.5Å; L76-G78 VanDerWaalsContact C-N 3.27Å; L76-G78 PolarHBondContact O-N 3.31Å; G78-N82 WeakPolarHBondContact O-CB 3.38Å; G78-N82 PolarHBondContact O-N 2.9Å; G78-N82 PolarHBondContact O-ND2 3.49Å; G78-F116 VanDerWaalsContact CA-CD1 3.48Å |
| 79 | H | 94.2 | Very high | 92.5 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.9 | -38.5 | 176 | -71.7 | -61.3 | 0 | 0 | 0 | 112.9 | I39 D75 L76 G83 | I39-H79 HydrophobicContact CG1-CB 3.91Å; D75-H79 PolarHBondContact O-CD2 2.96Å; D75-H79 PolarHBondContact O-N 3.15Å; L76-H79 PolarHBondContact O-N 2.87Å; H79-G83 WeakPolarHBondContact O-CA 3.44Å; H79-G83 PolarHBondContact O-N 3.46Å |
| 80 | L | 94.5 | Very high | 92.4 | Very high | 87 Ų | 87 | 32.5 Ų | 32.5 | 46% | 0.455 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -68.2 | -52.1 | -179.3 | -174.3 | 68.4 | 0 | 0 | 0 | 111.7 | I39 L76 F77 A84 | I39-L80 HydrophobicContact CD1-CD1 4.3Å; L76-L80 WeakPolarHBondContact O-CB 3.27Å; L76-L80 PolarHBondContact O-N 3.07Å; F77-L80 PolarHBondContact O-N 3.34Å; L80-A84 WeakPolarHBondContact O-CB 3.22Å; L80-A84 PolarHBondContact O-N 2.92Å |
| 81 | I | 95.1 | Very high | 92.1 | Very high | 59 Ų | 59 | 36 Ų | 36 | 30% | 0.303 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -74.5 | -55.1 | -174.7 | -62.3 | 175.3 | 0 | 0 | 0 | 110.2 | F77 G83 A84 I85 C112 F116 | F77-I81 HydrophobicContact CB-CD1 4.44Å; F77-I81 HydrophobicContact CD1-CD1 4.31Å; F77-I81 VanDerWaalsContact O-CB 3.31Å; F77-I81 WeakPolarHBondContact O-CB 3.42Å; F77-I81 WeakPolarHBondContact O-CG1 3.27Å; F77-I81 PolarHBondContact O-N 2.92Å; I81-G83 VanDerWaalsContact C-N 3.3Å; I81-G83 PolarHBondContact O-N 3.33Å; I81-A84 PolarHBondContact O-N 3.1Å; I81-I85 HydrophobicContact CG2-CD1 3.96Å; I81-I85 VanDerWaalsContact O-CG1 3.29Å; I81-I85 WeakPolarHBondContact O-CG1 3.34Å; I81-I85 PolarHBondContact O-N 3.44Å; I81-C112 HydrophobicContact CG2-CB 4.32Å; I81-F116 HydrophobicContact CB-CE2 4.22Å; I81-F116 HydrophobicContact CD1-CE2 4.06Å; I81-F116 HydrophobicContact CD1-CZ 3.94Å |
| 82 | N | 93.5 | Very high | 91.9 | Very high | 18 Ų | 18 | 37.8 Ų | 37.8 | 10% | 0.096 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.9 | -37 | -179.7 | -64.3 | -28.4 | 0 | 0 | 0 | 111 | G78 A86 F109 C112 M113 | G78-N82 WeakPolarHBondContact O-CB 3.38Å; G78-N82 PolarHBondContact O-N 2.9Å; G78-N82 PolarHBondContact O-ND2 3.49Å; N82-A86 WeakPolarHBondContact O-CB 3.2Å; N82-A86 PolarHBondContact O-N 2.88Å; N82-F109 HydrophobicContact CB-CE2 3.88Å; N82-C112 WeakPolarHBondContact OD1-CB 3.33Å; N82-M113 HydrophobicContact CB-SD 4.18Å |
| 83 | G | 90.9 | Very high | 91.5 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 8% | 0.082 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67 | -45.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M35 H79 I81 I85 A86 V87 | M35-G83 VanDerWaalsContact SD-CA 3.52Å; H79-G83 WeakPolarHBondContact O-CA 3.44Å; H79-G83 PolarHBondContact O-N 3.46Å; I81-G83 VanDerWaalsContact C-N 3.3Å; I81-G83 PolarHBondContact O-N 3.33Å; G83-I85 PolarHBondContact O-N 3.43Å; G83-A86 PolarHBondContact O-N 3.25Å; G83-V87 WeakPolarHBondContact O-CB 3.36Å; G83-V87 VanDerWaalsContact O-CG2 3.3Å; G83-V87 WeakPolarHBondContact O-CG2 3.12Å; G83-V87 PolarHBondContact O-N 3.17Å |
| 84 | A | 91.7 | Very high | 91.1 | Very high | 55 Ų | 55 | 41.8 Ų | 41.8 | 46% | 0.455 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L80 I81 V87 F88 | L80-A84 WeakPolarHBondContact O-CB 3.22Å; L80-A84 PolarHBondContact O-N 2.92Å; I81-A84 PolarHBondContact O-N 3.1Å; A84-V87 PolarHBondContact O-N 3.38Å; A84-F88 WeakPolarHBondContact O-CB 3.4Å; A84-F88 PolarHBondContact O-N 2.91Å |
| 85 | I | 91.9 | Very high | 90.5 | Very high | 23 Ų | 23 | 44.3 Ų | 44.3 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 176.5 | -62.2 | 167.9 | 0 | 0 | 0 | 110.3 | I81 G83 V87 F88 V89 L105 F109 | I81-I85 HydrophobicContact CG2-CD1 3.96Å; I81-I85 VanDerWaalsContact O-CG1 3.29Å; I81-I85 WeakPolarHBondContact O-CG1 3.34Å; I81-I85 PolarHBondContact O-N 3.44Å; G83-I85 PolarHBondContact O-N 3.43Å; I85-V87 PolarHBondContact O-N 2.98Å; I85-F88 WeakPolarHBondContact O-CB 3.4Å; I85-F88 PolarHBondContact O-N 3.49Å; I85-V89 HydrophobicContact CG2-CG2 4.47Å; I85-V89 WeakPolarHBondContact O-CG2 3.37Å; I85-V89 PolarHBondContact O-N 3.43Å; I85-L105 HydrophobicContact CG2-CD1 4.47Å; I85-F109 HydrophobicContact CB-CD2 4.34Å; I85-F109 HydrophobicContact CB-CG 4.37Å; I85-F109 HydrophobicContact CD1-CB 4.33Å; I85-F109 HydrophobicContact CD1-CD2 4.33Å; I85-F109 HydrophobicContact CD1-CG 4.46Å; I85-F109 HydrophobicContact CG2-CB 4.01Å; I85-F109 HydrophobicContact CG2-CD1 3.55Å; I85-F109 HydrophobicContact CG2-CD2 4.13Å; I85-F109 HydrophobicContact CG2-CE1 3.92Å; I85-F109 HydrophobicContact CG2-CE2 4.5Å; I85-F109 HydrophobicContact CG2-CG 3.66Å; I85-F109 HydrophobicContact CG2-CZ 4.4Å |
| 86 | A | 89.9 | Confident | 90.1 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N82 G83 F88 V89 Y90 F109 | N82-A86 WeakPolarHBondContact O-CB 3.2Å; N82-A86 PolarHBondContact O-N 2.88Å; G83-A86 PolarHBondContact O-N 3.25Å; A86-F88 VanDerWaalsContact C-N 3.33Å; A86-F88 PolarHBondContact O-N 2.77Å; A86-V89 PolarHBondContact O-N 3.43Å; A86-Y90 HydrophobicContact CB-CE2 4.48Å; A86-Y90 WeakPolarHBondContact O-CD2 3.27Å; A86-Y90 PolarHBondContact O-N 2.69Å; A86-F109 HydrophobicContact CB-CZ 4.19Å |
| 87 | V | 88.5 | Confident | 89.5 | Confident | 49 Ų | 49 | 49.2 Ų | 49.2 | 30% | 0.297 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 176.9 | 170 | 0 | 0 | 0 | 0 | 111 | I32 M35 G83 A84 I85 V89 Y90 A91 | I32-V87 HydrophobicContact CG1-CG2 4.29Å; M35-V87 HydrophobicContact CE-CG2 3.88Å; M35-V87 HydrophobicContact SD-CG2 3.95Å; G83-V87 WeakPolarHBondContact O-CB 3.36Å; G83-V87 VanDerWaalsContact O-CG2 3.3Å; G83-V87 WeakPolarHBondContact O-CG2 3.12Å; G83-V87 PolarHBondContact O-N 3.17Å; A84-V87 PolarHBondContact O-N 3.38Å; I85-V87 PolarHBondContact O-N 2.98Å; V87-V89 PolarHBondContact O-N 3.14Å; V87-Y90 PolarHBondContact O-N 3.21Å; V87-A91 WeakPolarHBondContact O-CB 3.44Å; V87-A91 PolarHBondContact O-N 3.41Å |
| 88 | F | 89.4 | Confident | 88.9 | Confident | 99 Ų | 99 | 54.3 Ų | 54.3 | 43% | 0.434 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 174.7 | 173.7 | -98.4 | 0 | 0 | 0 | 112.3 | A84 I85 A86 Y90 A91 S92 F99 L105 | A84-F88 WeakPolarHBondContact O-CB 3.4Å; A84-F88 PolarHBondContact O-N 2.91Å; I85-F88 WeakPolarHBondContact O-CB 3.4Å; I85-F88 PolarHBondContact O-N 3.49Å; A86-F88 VanDerWaalsContact C-N 3.33Å; A86-F88 PolarHBondContact O-N 2.77Å; F88-Y90 VanDerWaalsContact C-N 3.33Å; F88-Y90 PolarHBondContact O-N 3.16Å; F88-A91 PolarHBondContact O-N 2.89Å; F88-S92 WeakPolarHBondContact O-CB 3.31Å; F88-S92 PolarHBondContact O-N 2.94Å; F88-S92 PolarHBondContact O-OG 2.77Å; F88-F99 HydrophobicContact CE1-CB 4.18Å; F88-F99 HydrophobicContact CE1-CD1 4.25Å; F88-F99 AromaticContact CE1-CD2 3.85Å; F88-F99 HydrophobicContact CE1-CD2 3.85Å; F88-F99 HydrophobicContact CE1-CE2 4.29Å; F88-F99 AromaticContact CE1-CG 3.83Å; F88-F99 HydrophobicContact CE1-CG 3.83Å; F88-F99 HydrophobicContact CZ-CB 4.21Å; F88-F99 HydrophobicContact CZ-CG 4.28Å; F88-L105 HydrophobicContact CD1-CD2 4.08Å; F88-L105 HydrophobicContact CE1-CD2 3.88Å |
| 89 | V | 89.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 175.7 | 170.8 | 0 | 0 | 0 | 0 | 111 | I85 A86 V87 S92 K94 W96 F99 R181 | I85-V89 HydrophobicContact CG2-CG2 4.47Å; I85-V89 WeakPolarHBondContact O-CG2 3.37Å; I85-V89 PolarHBondContact O-N 3.43Å; A86-V89 PolarHBondContact O-N 3.43Å; V87-V89 PolarHBondContact O-N 3.14Å; V89-S92 CarbonylContact O-C 3.24Å; V89-S92 PolarHBondContact O-N 3.44Å; V89-K94 HydrophobicContact CG1-CB 4.41Å; V89-K94 HydrophobicContact CG1-CG 4.39Å; V89-K94 WeakPolarHBondContact O-CA 3.25Å; V89-K94 PolarHBondContact O-N 3.45Å; V89-W96 HydrophobicContact CB-CZ2 4.33Å; V89-W96 HydrophobicContact CG1-CZ2 3.69Å; V89-W96 HydrophobicContact CG2-CH2 3.69Å; V89-W96 HydrophobicContact CG2-CZ2 3.62Å; V89-W96 HydrophobicContact CG2-CZ3 4.44Å; V89-F99 HydrophobicContact CG1-CZ 4.49Å; V89-F99 HydrophobicContact CG2-CE2 4.25Å; V89-F99 HydrophobicContact CG2-CZ 4.05Å; V89-R181 WeakPolarHBondContact CG1-O 3.33Å |
| 90 | Y | 85.4 | Confident | 88 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 176.6 | -76.6 | -65.2 | 0 | 0 | 0 | 112.9 | S27 V28 A86 V87 F88 S92 D93 T182 | S27-Y90 PolarHBondContact OG-OH 3.07Å; V28-Y90 HydrophobicContact CB-CD1 4.44Å; V28-Y90 HydrophobicContact CG2-CD1 3.36Å; V28-Y90 HydrophobicContact CG2-CE1 3.69Å; V28-Y90 HydrophobicContact CG2-CG 3.91Å; A86-Y90 HydrophobicContact CB-CE2 4.48Å; A86-Y90 WeakPolarHBondContact O-CD2 3.27Å; A86-Y90 PolarHBondContact O-N 2.69Å; V87-Y90 PolarHBondContact O-N 3.21Å; F88-Y90 VanDerWaalsContact C-N 3.33Å; F88-Y90 PolarHBondContact O-N 3.16Å; Y90-S92 PolarHBondContact O-N 3.43Å; Y90-D93 PolarHBondContact O-N 3.03Å; Y90-D93 VanDerWaalsContact O-N 3.16Å; Y90-T182 HydrophobicContact CD1-CG2 4.36Å; Y90-T182 HydrophobicContact CE1-CG2 3.43Å; Y90-T182 VanDerWaalsContact CE1-CG2 3.43Å; Y90-T182 HydrophobicContact CE2-CG2 4.42Å; Y90-T182 VanDerWaalsContact CZ-CG2 3.46Å; Y90-T182 VanDerWaalsContact OH-CG2 3.29Å; Y90-T182 WeakPolarHBondContact OH-CG2 3.32Å |
| 91 | A | 86.3 | Confident | 87.1 | Confident | 81 Ų | 81 | 61 Ų | 61 | 67% | 0.669 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.9 | -24 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V87 F88 D93 | V87-A91 WeakPolarHBondContact O-CB 3.44Å; V87-A91 PolarHBondContact O-N 3.41Å; F88-A91 PolarHBondContact O-N 2.89Å; A91-D93 VanDerWaalsContact C-N 3.33Å |
| 92 | S | 86.8 | Confident | 86.4 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 26% | 0.259 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 21.9 | 176.2 | -52.8 | 0 | 0 | 0 | 0 | 113 | F88 V89 Y90 K94 D95 | F88-S92 WeakPolarHBondContact O-CB 3.31Å; F88-S92 PolarHBondContact O-N 2.94Å; F88-S92 PolarHBondContact O-OG 2.77Å; V89-S92 CarbonylContact O-C 3.24Å; V89-S92 PolarHBondContact O-N 3.44Å; Y90-S92 PolarHBondContact O-N 3.43Å; S92-K94 PolarHBondContact O-N 3.35Å; S92-D95 PolarHBondContact O-N 3.45Å |
| 93 | D | 85.1 | Confident | 86 | Confident | 130 Ų | 130 | 64.1 Ų | 64.1 | 70% | 0.695 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 22.6 | -179.9 | -74.4 | -53.3 | 0 | 0 | 0 | 115.2 | Y90 A91 D95 | Y90-D93 PolarHBondContact O-N 3.03Å; Y90-D93 VanDerWaalsContact O-N 3.16Å; A91-D93 VanDerWaalsContact C-N 3.33Å; D93-D95 PolarHBondContact O-N 3.24Å |
| 94 | K | 84.4 | Confident | 85.9 | Confident | 32 Ų | 32 | 69 Ų | 69 | 14% | 0.139 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 25.9 | -173 | -43.4 | 176.5 | -174 | -174.4 | 0 | 113.1 | V89 S92 W96 S180 R181 T182 | V89-K94 HydrophobicContact CG1-CB 4.41Å; V89-K94 HydrophobicContact CG1-CG 4.39Å; V89-K94 WeakPolarHBondContact O-CA 3.25Å; V89-K94 PolarHBondContact O-N 3.45Å; S92-K94 PolarHBondContact O-N 3.35Å; K94-W96 VanDerWaalsContact C-N 3.34Å; K94-W96 PolarHBondContact O-N 3.2Å; K94-S180 PolarHBondContact NZ-O 2.97Å; K94-R181 HydrophobicContact CB-CB 4.07Å; K94-R181 HydrophobicContact CD-CB 4.29Å; K94-T182 HydrophobicContact CD-CG2 3.93Å; K94-T182 VanDerWaalsContact CE-CG2 3.44Å |
| 95 | D | 83.9 | Confident | 85.9 | Confident | 65 Ų | 65 | 68.5 Ų | 68.5 | 35% | 0.348 | 36% | 0.356 | S | S | . | . | trans | -84.5 | 75.7 | 178.5 | -171.1 | 14.7 | 0 | 0 | 0 | 112.2 | S92 D93 I97 R98 F99 | S92-D95 PolarHBondContact O-N 3.45Å; D93-D95 PolarHBondContact O-N 3.24Å; D95-I97 PolarHBondContact O-N 3Å; D95-I97 PolarHBondContact OD1-N 3.4Å; D95-R98 PolarHBondContact O-N 3.42Å; D95-R98 VanDerWaalsContact O-N 3.14Å; D95-F99 VanDerWaalsContact C-CE1 3.43Å; D95-F99 WeakPolarHBondContact O-CD1 3.4Å; D95-F99 WeakPolarHBondContact O-CE1 3.44Å | ||
| 96 | W | 86.3 | Confident | 86 | Confident | 7 Ų | 7 | 67.4 Ų | 67.4 | 3% | 0.027 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.3 | -21.1 | -179.6 | -69.1 | 87.4 | 0 | 0 | 0 | 114.3 | V89 K94 R98 F99 N100 C106 F109 I177 R181 C184 | V89-W96 HydrophobicContact CB-CZ2 4.33Å; V89-W96 HydrophobicContact CG1-CZ2 3.69Å; V89-W96 HydrophobicContact CG2-CH2 3.69Å; V89-W96 HydrophobicContact CG2-CZ2 3.62Å; V89-W96 HydrophobicContact CG2-CZ3 4.44Å; K94-W96 VanDerWaalsContact C-N 3.34Å; K94-W96 PolarHBondContact O-N 3.2Å; W96-R98 VanDerWaalsContact C-N 3.27Å; W96-R98 PolarHBondContact O-N 2.85Å; W96-F99 HydrophobicContact CB-CZ 4.35Å; W96-F99 AromaticContact CD2-CE2 3.85Å; W96-F99 HydrophobicContact CD2-CE2 3.85Å; W96-F99 AromaticContact CD2-CZ 3.77Å; W96-F99 HydrophobicContact CD2-CZ 3.77Å; W96-F99 AromaticContact CE3-CE2 3.47Å; W96-F99 HydrophobicContact CE3-CE2 3.47Å; W96-F99 VanDerWaalsContact CE3-CE2 3.47Å; W96-F99 AromaticContact CE3-CZ 3.91Å; W96-F99 HydrophobicContact CE3-CZ 3.91Å; W96-F99 HydrophobicContact CG-CE2 4.38Å; W96-F99 AromaticContact CG-CZ 3.99Å; W96-F99 HydrophobicContact CG-CZ 3.99Å; W96-F99 AromaticContact CZ3-CE2 3.84Å; W96-F99 HydrophobicContact CZ3-CE2 3.84Å; W96-F99 HydrophobicContact CZ3-CZ 4.45Å; W96-N100 HydrophobicContact CE3-CB 3.88Å; W96-N100 VanDerWaalsContact O-CB 3.3Å; W96-N100 WeakPolarHBondContact O-CB 3.21Å; W96-N100 PolarHBondContact O-N 2.96Å; W96-C106 HydrophobicContact CE3-CB 4.45Å; W96-C106 HydrophobicContact CZ3-CB 3.9Å; W96-F109 HydrophobicContact CH2-CD1 4.18Å; W96-I177 HydrophobicContact CB-CD1 3.62Å; W96-I177 HydrophobicContact CD2-CD1 3.59Å; W96-I177 HydrophobicContact CD2-CG1 3.84Å; W96-I177 HydrophobicContact CD2-CG2 4.27Å; W96-I177 HydrophobicContact CE3-CD1 3.79Å; W96-I177 HydrophobicContact CE3-CG1 3.94Å; W96-I177 HydrophobicContact CG-CD1 3.51Å; W96-I177 HydrophobicContact CG-CG1 4.2Å; W96-I177 HydrophobicContact CG-CG2 4.32Å; W96-I177 HydrophobicContact CZ2-CG2 4.45Å; W96-I177 HydrophobicContact CZ3-CG1 4.39Å; W96-R181 PolarHBondContact NE1-O 2.77Å; W96-C184 WeakPolarHBondContact CH2-SG 3.41Å |
| 97 | I | 83.1 | Confident | 86.2 | Confident | 129 Ų | 129 | 68 Ų | 68 | 66% | 0.662 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.2 | -34.8 | -179.5 | -60.3 | 170.9 | 0 | 0 | 0 | 110.3 | D95 | D95-I97 PolarHBondContact O-N 3Å; D95-I97 PolarHBondContact OD1-N 3.4Å |
| 98 | R | 82.1 | Confident | 86.5 | Confident | 212 Ų | 212 | 68.7 Ų | 68.7 | 80% | 0.8 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -76.4 | -35.1 | -173.7 | -168.6 | 175.2 | 179.8 | -172.3 | -0.1 | 113.8 | D95 W96 | D95-R98 PolarHBondContact O-N 3.42Å; D95-R98 VanDerWaalsContact O-N 3.14Å; W96-R98 VanDerWaalsContact C-N 3.27Å; W96-R98 PolarHBondContact O-N 2.85Å |
| 99 | F | 83.6 | Confident | 86.8 | Confident | 48 Ų | 48 | 64.2 Ų | 64.2 | 21% | 0.211 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -118.8 | -9.2 | -170.7 | 61.3 | -103.2 | 0 | 0 | 0 | 115 | F88 V89 D95 W96 L105 | F88-F99 HydrophobicContact CE1-CB 4.18Å; F88-F99 HydrophobicContact CE1-CD1 4.25Å; F88-F99 AromaticContact CE1-CD2 3.85Å; F88-F99 HydrophobicContact CE1-CD2 3.85Å; F88-F99 HydrophobicContact CE1-CE2 4.29Å; F88-F99 AromaticContact CE1-CG 3.83Å; F88-F99 HydrophobicContact CE1-CG 3.83Å; F88-F99 HydrophobicContact CZ-CB 4.21Å; F88-F99 HydrophobicContact CZ-CG 4.28Å; V89-F99 HydrophobicContact CG1-CZ 4.49Å; V89-F99 HydrophobicContact CG2-CE2 4.25Å; V89-F99 HydrophobicContact CG2-CZ 4.05Å; D95-F99 VanDerWaalsContact C-CE1 3.43Å; D95-F99 WeakPolarHBondContact O-CD1 3.4Å; D95-F99 WeakPolarHBondContact O-CE1 3.44Å; W96-F99 HydrophobicContact CB-CZ 4.35Å; W96-F99 AromaticContact CD2-CE2 3.85Å; W96-F99 HydrophobicContact CD2-CE2 3.85Å; W96-F99 AromaticContact CD2-CZ 3.77Å; W96-F99 HydrophobicContact CD2-CZ 3.77Å; W96-F99 AromaticContact CE3-CE2 3.47Å; W96-F99 HydrophobicContact CE3-CE2 3.47Å; W96-F99 VanDerWaalsContact CE3-CE2 3.47Å; W96-F99 AromaticContact CE3-CZ 3.91Å; W96-F99 HydrophobicContact CE3-CZ 3.91Å; W96-F99 HydrophobicContact CG-CE2 4.38Å; W96-F99 AromaticContact CG-CZ 3.99Å; W96-F99 HydrophobicContact CG-CZ 3.99Å; W96-F99 AromaticContact CZ3-CE2 3.84Å; W96-F99 HydrophobicContact CZ3-CE2 3.84Å; W96-F99 HydrophobicContact CZ3-CZ 4.45Å; F99-L105 HydrophobicContact CD2-CD2 3.42Å; F99-L105 VanDerWaalsContact CD2-CD2 3.42Å; F99-L105 HydrophobicContact CE2-CD2 3.57Å |
| 100 | N | 85.8 | Confident | 87.1 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | trans | -119.1 | 38.2 | -177.4 | -169.3 | 53.3 | 0 | 0 | 0 | 112.7 | W96 S102 N103 I104 L105 C106 | W96-N100 HydrophobicContact CE3-CB 3.88Å; W96-N100 VanDerWaalsContact O-CB 3.3Å; W96-N100 WeakPolarHBondContact O-CB 3.21Å; W96-N100 PolarHBondContact O-N 2.96Å; N100-S102 VanDerWaalsContact C-N 3.29Å; N100-S102 PolarHBondContact O-N 3.48Å; N100-N103 PolarHBondContact ND2-OD1 3.36Å; N100-N103 PolarHBondContact O-N 2.99Å; N100-N103 VanDerWaalsContact O-N 3.12Å; N100-N103 VanDerWaalsContact OD1-C 3.29Å; N100-N103 VanDerWaalsContact OD1-CA 3.26Å; N100-N103 WeakPolarHBondContact OD1-CA 3.32Å; N100-I104 PolarHBondContact OD1-N 3Å; N100-L105 PolarHBondContact OD1-N 3.31Å; N100-L105 VanDerWaalsContact OD1-N 3.16Å; N100-C106 WeakPolarHBondContact ND2-CB 3.49Å; N100-C106 PolarHBondContact OD1-N 3.32Å | ||
| 101 | Q | 76.4 | Confident | 87.6 | Confident | 175 Ų | 175 | 64.5 Ų | 64.5 | 82% | 0.818 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -37.8 | -179.3 | -75.3 | 177.3 | -31.5 | 0 | 0 | 113.4 | ||
| 102 | S | 79.3 | Confident | 88.1 | Confident | 95 Ų | 95 | 61.6 Ų | 61.6 | 66% | 0.664 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 6.2 | 179.3 | -48.3 | 0 | 0 | 0 | 0 | 114.3 | N100 I104 | N100-S102 VanDerWaalsContact C-N 3.29Å; N100-S102 PolarHBondContact O-N 3.48Å; S102-I104 PolarHBondContact O-N 3.4Å |
| 103 | N | 85.3 | Confident | 88.6 | Confident | 47 Ų | 47 | 61.3 Ų | 61.3 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 56.2 | 12.7 | -173.4 | -153.5 | 25.7 | 0 | 0 | 0 | 116.9 | N100 C106 S107 A174 | N100-N103 PolarHBondContact ND2-OD1 3.36Å; N100-N103 PolarHBondContact O-N 2.99Å; N100-N103 VanDerWaalsContact O-N 3.12Å; N100-N103 VanDerWaalsContact OD1-C 3.29Å; N100-N103 VanDerWaalsContact OD1-CA 3.26Å; N100-N103 WeakPolarHBondContact OD1-CA 3.32Å; N103-C106 WeakPolarHBondContact OD1-CB 3.38Å; N103-S107 WeakPolarHBondContact O-CB 3.44Å; N103-S107 PolarHBondContact O-N 3.47Å; N103-S107 PolarHBondContact O-OG 3.45Å; N103-A174 VanDerWaalsContact ND2-CB 3.35Å; N103-A174 WeakPolarHBondContact ND2-CB 3.37Å |
| 104 | I | 89.9 | Confident | 89.2 | Confident | 110 Ų | 110 | 55.1 Ų | 55.1 | 56% | 0.564 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -69.8 | -46.3 | -176.8 | -63.7 | 168.5 | 0 | 0 | 0 | 110.3 | N100 S102 C106 S107 V108 | N100-I104 PolarHBondContact OD1-N 3Å; S102-I104 PolarHBondContact O-N 3.4Å; I104-C106 PolarHBondContact O-N 2.89Å; I104-S107 PolarHBondContact O-N 2.92Å; I104-V108 HydrophobicContact CG2-CG2 4.31Å; I104-V108 WeakPolarHBondContact O-CG2 3.36Å; I104-V108 PolarHBondContact O-N 2.84Å |
| 105 | L | 91.9 | Very high | 89.8 | Confident | 46 Ų | 46 | 55.3 Ų | 55.3 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | -175 | -171.7 | 71.6 | 0 | 0 | 0 | 111.2 | I85 F88 F99 N100 S107 V108 F109 | I85-L105 HydrophobicContact CG2-CD1 4.47Å; F88-L105 HydrophobicContact CD1-CD2 4.08Å; F88-L105 HydrophobicContact CE1-CD2 3.88Å; F99-L105 HydrophobicContact CD2-CD2 3.42Å; F99-L105 VanDerWaalsContact CD2-CD2 3.42Å; F99-L105 HydrophobicContact CE2-CD2 3.57Å; N100-L105 PolarHBondContact OD1-N 3.31Å; N100-L105 VanDerWaalsContact OD1-N 3.16Å; L105-S107 VanDerWaalsContact C-N 3.34Å; L105-V108 PolarHBondContact O-N 3.39Å; L105-F109 VanDerWaalsContact O-CB 3.31Å; L105-F109 WeakPolarHBondContact O-CB 3.45Å; L105-F109 PolarHBondContact O-N 3.16Å |
| 106 | C | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 176.4 | -171.7 | 0 | 0 | 0 | 0 | 112.1 | W96 N100 N103 I104 F109 G110 I177 C184 | W96-C106 HydrophobicContact CE3-CB 4.45Å; W96-C106 HydrophobicContact CZ3-CB 3.9Å; N100-C106 WeakPolarHBondContact ND2-CB 3.49Å; N100-C106 PolarHBondContact OD1-N 3.32Å; N103-C106 WeakPolarHBondContact OD1-CB 3.38Å; I104-C106 PolarHBondContact O-N 2.89Å; C106-F109 PolarHBondContact O-N 2.96Å; C106-G110 PolarHBondContact O-N 2.94Å; C106-I177 HydrophobicContact CB-CG1 4.44Å; C106-C184 WeakPolarHBondContact CA-SG 3.45Å; C106-C184 HydrophobicContact CB-CB 4.09Å; C106-C184 WeakPolarHBondContact CB-SG 3.35Å; C106-C184 VanDerWaalsContact O-CB 3.24Å; C106-C184 WeakPolarHBondContact O-CB 3.36Å; C106-C184 WeakPolarHBondContact SG-CB 3.45Å; C106-C184 CovalentContact SG-SG 2.04Å; C106-C184 PolarHBondContact SG-SG 2.71Å |
| 107 | S | 93.7 | Very high | 90.8 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 15% | 0.147 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -50.3 | 174.6 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | N103 I104 L105 F109 G110 I111 | N103-S107 WeakPolarHBondContact O-CB 3.44Å; N103-S107 PolarHBondContact O-N 3.47Å; N103-S107 PolarHBondContact O-OG 3.45Å; I104-S107 PolarHBondContact O-N 2.92Å; L105-S107 VanDerWaalsContact C-N 3.34Å; S107-F109 VanDerWaalsContact C-N 3.33Å; S107-F109 PolarHBondContact O-N 3.49Å; S107-G110 PolarHBondContact O-N 3.41Å; S107-I111 WeakPolarHBondContact O-CD1 3.44Å; S107-I111 WeakPolarHBondContact O-CG1 3.45Å; S107-I111 PolarHBondContact O-N 3.2Å |
| 108 | V | 94.7 | Very high | 91.5 | Very high | 64 Ų | 64 | 46.5 Ų | 46.5 | 39% | 0.388 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | I104 L105 G110 I111 C112 | I104-V108 HydrophobicContact CG2-CG2 4.31Å; I104-V108 WeakPolarHBondContact O-CG2 3.36Å; I104-V108 PolarHBondContact O-N 2.84Å; L105-V108 PolarHBondContact O-N 3.39Å; V108-G110 VanDerWaalsContact C-N 3.35Å; V108-G110 PolarHBondContact O-N 2.94Å; V108-I111 PolarHBondContact O-N 3.5Å; V108-C112 WeakPolarHBondContact O-CB 3.21Å; V108-C112 PolarHBondContact O-N 3.31Å; V108-C112 PolarHBondContact O-SG 3.42Å |
| 109 | F | 95.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 179.6 | -168.2 | -170.5 | 0 | 0 | 0 | 111.8 | N82 I85 A86 W96 L105 C106 S107 C112 M113 W183 C184 | N82-F109 HydrophobicContact CB-CE2 3.88Å; I85-F109 HydrophobicContact CB-CD2 4.34Å; I85-F109 HydrophobicContact CB-CG 4.37Å; I85-F109 HydrophobicContact CD1-CB 4.33Å; I85-F109 HydrophobicContact CD1-CD2 4.33Å; I85-F109 HydrophobicContact CD1-CG 4.46Å; I85-F109 HydrophobicContact CG2-CB 4.01Å; I85-F109 HydrophobicContact CG2-CD1 3.55Å; I85-F109 HydrophobicContact CG2-CD2 4.13Å; I85-F109 HydrophobicContact CG2-CE1 3.92Å; I85-F109 HydrophobicContact CG2-CE2 4.5Å; I85-F109 HydrophobicContact CG2-CG 3.66Å; I85-F109 HydrophobicContact CG2-CZ 4.4Å; A86-F109 HydrophobicContact CB-CZ 4.19Å; W96-F109 HydrophobicContact CH2-CD1 4.18Å; L105-F109 VanDerWaalsContact O-CB 3.31Å; L105-F109 WeakPolarHBondContact O-CB 3.45Å; L105-F109 PolarHBondContact O-N 3.16Å; C106-F109 PolarHBondContact O-N 2.96Å; S107-F109 VanDerWaalsContact C-N 3.33Å; S107-F109 PolarHBondContact O-N 3.49Å; F109-C112 PolarHBondContact O-N 3.3Å; F109-M113 HydrophobicContact CD2-CG 3.77Å; F109-M113 HydrophobicContact CD2-SD 4.45Å; F109-M113 HydrophobicContact CE2-CG 3.7Å; F109-M113 HydrophobicContact CE2-SD 3.8Å; F109-M113 WeakPolarHBondContact O-CB 3.22Å; F109-M113 WeakPolarHBondContact O-CG 3.49Å; F109-M113 PolarHBondContact O-N 2.91Å; F109-W183 HydrophobicContact CE1-CB 4.14Å; F109-W183 HydrophobicContact CZ-CB 4.16Å; F109-C184 HydrophobicContact CB-CB 4.19Å; F109-C184 HydrophobicContact CD1-CB 4.25Å; F109-C184 HydrophobicContact CG-CB 4.42Å |
| 110 | G | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -44.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C106 S107 V108 C112 M113 V114 Y175 C184 | C106-G110 PolarHBondContact O-N 2.94Å; S107-G110 PolarHBondContact O-N 3.41Å; V108-G110 VanDerWaalsContact C-N 3.35Å; V108-G110 PolarHBondContact O-N 2.94Å; G110-C112 VanDerWaalsContact C-N 3.34Å; G110-C112 PolarHBondContact O-N 3.01Å; G110-M113 PolarHBondContact O-N 3.49Å; G110-V114 WeakPolarHBondContact O-CG2 3.42Å; G110-V114 PolarHBondContact O-N 2.96Å; G110-Y175 VanDerWaalsContact C-CE1 3.48Å; G110-Y175 VanDerWaalsContact CA-CD1 3.46Å; G110-C184 WeakPolarHBondContact CA-O 3.3Å |
| 111 | I | 96.9 | Very high | 93.3 | Very high | 34 Ų | 34 | 33.9 Ų | 33.9 | 17% | 0.174 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.7 | -48.6 | 173.9 | -64 | 159.9 | 0 | 0 | 0 | 109.9 | S107 V108 M113 V114 F115 A165 L166 I169 Y175 | S107-I111 WeakPolarHBondContact O-CD1 3.44Å; S107-I111 WeakPolarHBondContact O-CG1 3.45Å; S107-I111 PolarHBondContact O-N 3.2Å; V108-I111 PolarHBondContact O-N 3.5Å; I111-M113 PolarHBondContact O-N 3.38Å; I111-V114 PolarHBondContact O-N 3.43Å; I111-F115 WeakPolarHBondContact O-CB 3.32Å; I111-F115 PolarHBondContact O-N 3.29Å; I111-A165 HydrophobicContact CG2-CB 3.91Å; I111-L166 HydrophobicContact CD1-CD2 3.98Å; I111-L166 HydrophobicContact CG1-CD2 4.33Å; I111-L166 HydrophobicContact CG2-CD2 4.12Å; I111-I169 HydrophobicContact CD1-CD1 3.2Å; I111-I169 HydrophobicContact CG1-CD1 3.54Å; I111-Y175 HydrophobicContact CG1-CD2 4.3Å; I111-Y175 HydrophobicContact CG1-CE2 3.69Å |
| 112 | C | 96.9 | Very high | 94.3 | Very high | 20 Ų | 20 | 26.4 Ų | 26.4 | 14% | 0.135 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 179.7 | -67.9 | 0 | 0 | 0 | 0 | 111.7 | I81 N82 V108 F109 G110 V114 F115 F116 | I81-C112 HydrophobicContact CG2-CB 4.32Å; N82-C112 WeakPolarHBondContact OD1-CB 3.33Å; V108-C112 WeakPolarHBondContact O-CB 3.21Å; V108-C112 PolarHBondContact O-N 3.31Å; V108-C112 PolarHBondContact O-SG 3.42Å; F109-C112 PolarHBondContact O-N 3.3Å; G110-C112 VanDerWaalsContact C-N 3.34Å; G110-C112 PolarHBondContact O-N 3.01Å; C112-V114 VanDerWaalsContact C-N 3.35Å; C112-V114 PolarHBondContact O-N 3.4Å; C112-F115 PolarHBondContact O-N 3Å; C112-F116 HydrophobicContact CB-CD2 3.98Å; C112-F116 HydrophobicContact CB-CE2 4.02Å; C112-F116 WeakPolarHBondContact O-CB 3.29Å; C112-F116 WeakPolarHBondContact O-CD2 3.26Å; C112-F116 PolarHBondContact O-N 2.84Å |
| 113 | M | 95.9 | Very high | 95 | Very high | 31 Ų | 31 | 21.9 Ų | 21.9 | 15% | 0.153 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 176.7 | -72.9 | -70.6 | -77.9 | 0 | 0 | 112.1 | N82 F109 G110 I111 G117 W183 F185 L287 | N82-M113 HydrophobicContact CB-SD 4.18Å; F109-M113 HydrophobicContact CD2-CG 3.77Å; F109-M113 HydrophobicContact CD2-SD 4.45Å; F109-M113 HydrophobicContact CE2-CG 3.7Å; F109-M113 HydrophobicContact CE2-SD 3.8Å; F109-M113 WeakPolarHBondContact O-CB 3.22Å; F109-M113 WeakPolarHBondContact O-CG 3.49Å; F109-M113 PolarHBondContact O-N 2.91Å; G110-M113 PolarHBondContact O-N 3.49Å; I111-M113 PolarHBondContact O-N 3.38Å; M113-G117 PolarHBondContact O-N 3.37Å; M113-W183 HydrophobicContact CE-CB 4.41Å; M113-W183 HydrophobicContact CE-CD2 4.46Å; M113-W183 HydrophobicContact CE-CE3 3.74Å; M113-W183 HydrophobicContact CE-CZ3 4.48Å; M113-F185 HydrophobicContact CB-CD2 4.22Å; M113-L287 HydrophobicContact CE-CD1 3.69Å; M113-L287 HydrophobicContact CE-CD2 4.06Å; M113-L287 HydrophobicContact CE-CG 4.45Å |
| 114 | V | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.3 | -47.1 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | G110 I111 C112 G117 L118 A165 Y175 F185 Y186 F203 | G110-V114 WeakPolarHBondContact O-CG2 3.42Å; G110-V114 PolarHBondContact O-N 2.96Å; I111-V114 PolarHBondContact O-N 3.43Å; C112-V114 VanDerWaalsContact C-N 3.35Å; C112-V114 PolarHBondContact O-N 3.4Å; V114-G117 PolarHBondContact O-N 2.97Å; V114-L118 HydrophobicContact CG1-CD1 4.07Å; V114-L118 PolarHBondContact O-N 3.34Å; V114-A165 HydrophobicContact CB-CB 4.03Å; V114-A165 HydrophobicContact CG1-CB 3.81Å; V114-Y175 HydrophobicContact CG2-CE1 3.81Å; V114-F185 HydrophobicContact CG2-CD2 4.02Å; V114-F185 HydrophobicContact CG2-CE2 3.52Å; V114-F185 HydrophobicContact CG2-CZ 4.31Å; V114-Y186 WeakPolarHBondContact CG1-OH 3.39Å; V114-Y186 HydrophobicContact CG2-CD2 4.41Å; V114-Y186 HydrophobicContact CG2-CE1 4.29Å; V114-Y186 HydrophobicContact CG2-CE2 3.6Å; V114-F203 HydrophobicContact CG1-CD2 4.08Å; V114-F203 HydrophobicContact CG1-CE2 4.46Å |
| 115 | F | 97.8 | Very high | 95.6 | Very high | 36 Ų | 36 | 15.5 Ų | 15.5 | 16% | 0.158 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.3 | -53 | -179.1 | 171.1 | -104.1 | 0 | 0 | 0 | 112.1 | T74 I111 C112 G117 L118 C119 A161 V162 A165 | T74-F115 HydrophobicContact CG2-CE1 4.37Å; I111-F115 WeakPolarHBondContact O-CB 3.32Å; I111-F115 PolarHBondContact O-N 3.29Å; C112-F115 PolarHBondContact O-N 3Å; F115-G117 PolarHBondContact O-N 2.94Å; F115-L118 PolarHBondContact O-N 3.27Å; F115-C119 HydrophobicContact CD2-CB 4.3Å; F115-C119 HydrophobicContact CE2-CB 3.99Å; F115-C119 HydrophobicContact CZ-CB 4.23Å; F115-C119 WeakPolarHBondContact O-CB 3.49Å; F115-C119 PolarHBondContact O-N 2.9Å; F115-A161 HydrophobicContact CD2-CB 3.79Å; F115-A161 HydrophobicContact CE2-CB 4.03Å; F115-V162 HydrophobicContact CD2-CG2 3.68Å; F115-V162 HydrophobicContact CE2-CG2 3.62Å; F115-A165 HydrophobicContact CB-CB 4.13Å |
| 116 | F | 96.5 | Very high | 95.7 | Very high | 12 Ų | 12 | 14.4 Ų | 14.4 | 5% | 0.053 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -71.4 | -10.4 | 177.1 | -64.5 | -61.4 | 0 | 0 | 0 | 112.6 | T74 F77 G78 I81 C112 P120 Q294 | T74-F116 HydrophobicContact CG2-CD1 3.81Å; T74-F116 HydrophobicContact CG2-CE1 4.18Å; T74-F116 WeakPolarHBondContact O-CD1 3.47Å; T74-F116 VanDerWaalsContact O-CE1 3.27Å; T74-F116 WeakPolarHBondContact O-CE1 3.4Å; F77-F116 HydrophobicContact CB-CE1 3.63Å; F77-F116 HydrophobicContact CB-CZ 3.68Å; G78-F116 VanDerWaalsContact CA-CD1 3.48Å; I81-F116 HydrophobicContact CB-CE2 4.22Å; I81-F116 HydrophobicContact CD1-CE2 4.06Å; I81-F116 HydrophobicContact CD1-CZ 3.94Å; C112-F116 HydrophobicContact CB-CD2 3.98Å; C112-F116 HydrophobicContact CB-CE2 4.02Å; C112-F116 WeakPolarHBondContact O-CB 3.29Å; C112-F116 WeakPolarHBondContact O-CD2 3.26Å; C112-F116 PolarHBondContact O-N 2.84Å; F116-P120 WeakPolarHBondContact O-CD 3.4Å; F116-P120 VanDerWaalsContact O-CG 3.27Å; F116-P120 WeakPolarHBondContact O-CG 3.47Å; F116-Q294 PolarHBondContact O-NE2 3.29Å; F116-Q294 VanDerWaalsContact O-NE2 3.09Å |
| 117 | G | 95.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 14.4 Ų | 14.4 | 5% | 0.052 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -79.2 | -56 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M113 V114 F115 W259 | M113-G117 PolarHBondContact O-N 3.37Å; V114-G117 PolarHBondContact O-N 2.97Å; F115-G117 PolarHBondContact O-N 2.94Å; G117-W259 WeakPolarHBondContact O-CH2 3.49Å |
| 118 | L | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -81.4 | -36.5 | -173 | -70.3 | 176.9 | 0 | 0 | 0 | 113.8 | V114 F115 L121 F122 I164 F203 L206 | V114-L118 HydrophobicContact CG1-CD1 4.07Å; V114-L118 PolarHBondContact O-N 3.34Å; F115-L118 PolarHBondContact O-N 3.27Å; L118-L121 WeakPolarHBondContact O-CB 3.39Å; L118-L121 PolarHBondContact O-N 3.41Å; L118-F122 HydrophobicContact CB-CD2 4.33Å; L118-F122 HydrophobicContact CB-CE2 3.85Å; L118-F122 HydrophobicContact CB-CZ 4.25Å; L118-F122 HydrophobicContact CD2-CZ 4.32Å; L118-F122 WeakPolarHBondContact O-CD2 3.32Å; L118-F122 WeakPolarHBondContact O-CG 3.34Å; L118-F122 PolarHBondContact O-N 3.41Å; L118-I164 HydrophobicContact CD1-CB 4.17Å; L118-I164 HydrophobicContact CD1-CG2 3.62Å; L118-F203 HydrophobicContact CD1-CD2 3.78Å; L118-F203 HydrophobicContact CD1-CE2 4.32Å; L118-F203 HydrophobicContact CD2-CD2 3.78Å; L118-F203 HydrophobicContact CD2-CE2 3.88Å; L118-F203 HydrophobicContact CD2-CG 4.44Å; L118-F203 HydrophobicContact CG-CD2 3.61Å; L118-F203 HydrophobicContact CG-CE2 3.66Å; L118-L206 HydrophobicContact CD2-CB 4.38Å |
| 119 | C | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.1 | -48.6 | -176 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | T74 F115 L121 F122 L123 A161 | T74-C119 HydrophobicContact CG2-CB 4Å; F115-C119 HydrophobicContact CD2-CB 4.3Å; F115-C119 HydrophobicContact CE2-CB 3.99Å; F115-C119 HydrophobicContact CZ-CB 4.23Å; F115-C119 WeakPolarHBondContact O-CB 3.49Å; F115-C119 PolarHBondContact O-N 2.9Å; C119-L121 VanDerWaalsContact C-N 3.34Å; C119-L121 PolarHBondContact O-N 3.5Å; C119-F122 PolarHBondContact O-N 3.22Å; C119-L123 WeakPolarHBondContact O-CB 3.47Å; C119-L123 VanDerWaalsContact O-CG 3.31Å; C119-L123 WeakPolarHBondContact O-CG 3.5Å; C119-L123 PolarHBondContact O-N 3.17Å; C119-A161 HydrophobicContact CB-CB 3.84Å |
| 120 | P | 95.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.013 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.8 | -38.9 | 175.3 | -26 | 37.9 | 0 | 0 | 0 | 113.7 | L71 T74 D75 F116 L123 G124 | L71-P120 HydrophobicContact CD1-CB 3.77Å; T74-P120 HydrophobicContact CG2-CG 4.04Å; D75-P120 WeakPolarHBondContact OD1-CG 3.42Å; F116-P120 WeakPolarHBondContact O-CD 3.4Å; F116-P120 VanDerWaalsContact O-CG 3.27Å; F116-P120 WeakPolarHBondContact O-CG 3.47Å; P120-L123 PolarHBondContact O-N 3.09Å; P120-G124 PolarHBondContact O-N 3.34Å |
| 121 | L | 96.2 | Very high | 94.2 | Very high | 9 Ų | 9 | 15 Ų | 15 | 5% | 0.047 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.7 | -46.9 | 175.9 | -75.9 | 173.6 | 0 | 0 | 0 | 112.1 | L118 C119 G124 S125 A210 L211 W259 L263 | L118-L121 WeakPolarHBondContact O-CB 3.39Å; L118-L121 PolarHBondContact O-N 3.41Å; C119-L121 VanDerWaalsContact C-N 3.34Å; C119-L121 PolarHBondContact O-N 3.5Å; L121-G124 PolarHBondContact O-N 3.45Å; L121-S125 PolarHBondContact O-N 3.3Å; L121-A210 HydrophobicContact CB-CB 4.18Å; L121-L211 HydrophobicContact CD2-CD2 3.56Å; L121-L211 HydrophobicContact CD2-CG 3.81Å; L121-W259 HydrophobicContact CD1-CD2 4.03Å; L121-W259 HydrophobicContact CD1-CE3 3.85Å; L121-W259 HydrophobicContact CD1-CZ3 4.14Å; L121-W259 HydrophobicContact CD2-CB 4.23Å; L121-W259 HydrophobicContact CD2-CD2 3.68Å; L121-W259 HydrophobicContact CD2-CE3 4.36Å; L121-W259 HydrophobicContact CD2-CG 3.6Å; L121-W259 HydrophobicContact CG-CD2 3.96Å; L121-W259 HydrophobicContact CG-CE3 4.26Å; L121-W259 HydrophobicContact CG-CG 4.41Å; L121-W259 HydrophobicContact CG-CZ2 4.22Å; L121-L263 HydrophobicContact CD1-CD1 4.11Å; L121-L263 HydrophobicContact CD1-CD2 4.38Å |
| 122 | F | 97.5 | Very high | 93.7 | Very high | 19 Ų | 19 | 14.3 Ų | 14.3 | 8% | 0.083 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.1 | -44.1 | 176.7 | -64.5 | -33.1 | 0 | 0 | 0 | 111.7 | L118 C119 G124 S125 V126 V157 F160 A161 L206 A210 | L118-F122 HydrophobicContact CB-CD2 4.33Å; L118-F122 HydrophobicContact CB-CE2 3.85Å; L118-F122 HydrophobicContact CB-CZ 4.25Å; L118-F122 HydrophobicContact CD2-CZ 4.32Å; L118-F122 WeakPolarHBondContact O-CD2 3.32Å; L118-F122 WeakPolarHBondContact O-CG 3.34Å; L118-F122 PolarHBondContact O-N 3.41Å; C119-F122 PolarHBondContact O-N 3.22Å; F122-G124 VanDerWaalsContact C-N 3.31Å; F122-G124 PolarHBondContact O-N 3.34Å; F122-S125 PolarHBondContact O-N 3.45Å; F122-S125 PolarHBondContact O-OG 3.25Å; F122-V126 WeakPolarHBondContact O-CG2 3.43Å; F122-V126 PolarHBondContact O-N 2.92Å; F122-V157 HydrophobicContact CB-CG1 3.45Å; F122-V157 VanDerWaalsContact CB-CG1 3.45Å; F122-V157 HydrophobicContact CD2-CG1 4.33Å; F122-V157 HydrophobicContact CG-CG1 4.38Å; F122-F160 HydrophobicContact CD2-CD1 4.11Å; F122-F160 HydrophobicContact CE1-CE1 4.44Å; F122-F160 AromaticContact CE2-CD1 3.53Å; F122-F160 HydrophobicContact CE2-CD1 3.53Å; F122-F160 AromaticContact CE2-CE1 3.73Å; F122-F160 HydrophobicContact CE2-CE1 3.73Å; F122-F160 AromaticContact CZ-CD1 3.94Å; F122-F160 HydrophobicContact CZ-CD1 3.94Å; F122-F160 AromaticContact CZ-CE1 3.63Å; F122-F160 HydrophobicContact CZ-CE1 3.63Å; F122-A161 HydrophobicContact CD2-CB 4.39Å; F122-A161 HydrophobicContact CE2-CB 4.46Å; F122-L206 HydrophobicContact CE1-CB 4.13Å; F122-L206 HydrophobicContact CZ-CB 3.93Å; F122-L206 HydrophobicContact CZ-CD1 4.29Å; F122-L206 HydrophobicContact CZ-CG 4.5Å; F122-A210 HydrophobicContact CD1-CB 3.79Å; F122-A210 HydrophobicContact CE1-CB 4.14Å |
| 123 | L | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 175.4 | -68.8 | 176.5 | 0 | 0 | 0 | 111.6 | L71 C119 P120 S125 V126 M127 L154 V157 | L71-L123 HydrophobicContact CB-CD1 4.33Å; L71-L123 HydrophobicContact CD1-CB 3.88Å; L71-L123 HydrophobicContact CD1-CD1 4.31Å; C119-L123 WeakPolarHBondContact O-CB 3.47Å; C119-L123 VanDerWaalsContact O-CG 3.31Å; C119-L123 WeakPolarHBondContact O-CG 3.5Å; C119-L123 PolarHBondContact O-N 3.17Å; P120-L123 PolarHBondContact O-N 3.09Å; L123-S125 PolarHBondContact O-N 3.45Å; L123-V126 PolarHBondContact O-N 2.78Å; L123-M127 WeakPolarHBondContact O-CB 3.13Å; L123-M127 VanDerWaalsContact O-CG 3.27Å; L123-M127 WeakPolarHBondContact O-CG 3.47Å; L123-M127 PolarHBondContact O-N 3.49Å; L123-L154 HydrophobicContact CD1-CD1 4.18Å; L123-L154 HydrophobicContact CD2-CD1 3.52Å; L123-V157 HydrophobicContact CD2-CB 4.23Å; L123-V157 HydrophobicContact CD2-CG1 3.82Å; L123-V157 HydrophobicContact CG-CG1 3.98Å |
| 124 | G | 93.2 | Very high | 92.4 | Very high | 9 Ų | 9 | 16 Ų | 16 | 9% | 0.093 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -53.6 | -49.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P120 L121 F122 M127 A128 | P120-G124 PolarHBondContact O-N 3.34Å; L121-G124 PolarHBondContact O-N 3.45Å; F122-G124 VanDerWaalsContact C-N 3.31Å; F122-G124 PolarHBondContact O-N 3.34Å; G124-M127 PolarHBondContact O-N 3.3Å; G124-A128 PolarHBondContact O-N 3.48Å |
| 125 | S | 94.7 | Very high | 91.7 | Very high | 14 Ų | 14 | 18.2 Ų | 18.2 | 10% | 0.098 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 178.2 | 76.8 | 0 | 0 | 0 | 0 | 112.6 | L121 F122 L123 M127 A128 V129 A210 | L121-S125 PolarHBondContact O-N 3.3Å; F122-S125 PolarHBondContact O-N 3.45Å; F122-S125 PolarHBondContact O-OG 3.25Å; L123-S125 PolarHBondContact O-N 3.45Å; S125-M127 PolarHBondContact O-N 2.86Å; S125-A128 PolarHBondContact O-N 3.48Å; S125-V129 WeakPolarHBondContact O-CG2 3.49Å; S125-V129 PolarHBondContact O-N 3.42Å; S125-A210 WeakPolarHBondContact CB-O 3.47Å |
| 126 | V | 93.4 | Very high | 90.8 | Very high | 22 Ų | 22 | 19.3 Ų | 19.3 | 13% | 0.133 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 177.8 | 170.1 | 0 | 0 | 0 | 0 | 111 | L67 F122 L123 A128 V129 E130 M153 V157 | L67-V126 HydrophobicContact CD1-CG1 4.02Å; L67-V126 HydrophobicContact CD2-CG1 4.11Å; F122-V126 WeakPolarHBondContact O-CG2 3.43Å; F122-V126 PolarHBondContact O-N 2.92Å; L123-V126 PolarHBondContact O-N 2.78Å; V126-A128 VanDerWaalsContact C-N 3.34Å; V126-A128 PolarHBondContact O-N 2.86Å; V126-V129 PolarHBondContact O-N 3.45Å; V126-E130 WeakPolarHBondContact O-CB 2.99Å; V126-E130 PolarHBondContact O-N 2.99Å; V126-M153 HydrophobicContact CG1-CE 3.6Å; V126-M153 HydrophobicContact CG1-SD 4.47Å; V126-M153 HydrophobicContact CG2-CE 4.23Å; V126-V157 HydrophobicContact CG2-CG2 4.05Å |
| 127 | M | 90.1 | Very high | 90 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.2 | -39 | 174.7 | -73.8 | -173.2 | -64.3 | 0 | 0 | 112.3 | L67 L71 L123 G124 S125 R131 Y301 | L67-M127 HydrophobicContact CB-CG 3.67Å; L67-M127 HydrophobicContact CB-SD 4.18Å; L67-M127 HydrophobicContact CD1-CG 4.08Å; L67-M127 HydrophobicContact CG-CG 4.45Å; L71-M127 HydrophobicContact CB-CE 4.36Å; L71-M127 HydrophobicContact CD1-CE 4.28Å; L71-M127 HydrophobicContact CD2-CE 3.56Å; L71-M127 HydrophobicContact CG-CE 4.28Å; L123-M127 WeakPolarHBondContact O-CB 3.13Å; L123-M127 VanDerWaalsContact O-CG 3.27Å; L123-M127 WeakPolarHBondContact O-CG 3.47Å; L123-M127 PolarHBondContact O-N 3.49Å; G124-M127 PolarHBondContact O-N 3.3Å; S125-M127 PolarHBondContact O-N 2.86Å; M127-R131 WeakPolarHBondContact O-CG 3.31Å; M127-R131 PolarHBondContact O-N 3.42Å; M127-R131 VanDerWaalsContact O-N 3.15Å; M127-Y301 HydrophobicContact CE-CE1 4.34Å; M127-Y301 HydrophobicContact CE-CE2 3.96Å; M127-Y301 WeakPolarHBondContact CE-OH 3.31Å |
| 128 | A | 90.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 2% | 0.017 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G124 S125 V126 R131 C132 C217 | G124-A128 PolarHBondContact O-N 3.48Å; S125-A128 PolarHBondContact O-N 3.48Å; V126-A128 VanDerWaalsContact C-N 3.34Å; V126-A128 PolarHBondContact O-N 2.86Å; A128-R131 PolarHBondContact O-N 3.19Å; A128-C132 WeakPolarHBondContact O-CB 3.39Å; A128-C132 PolarHBondContact O-N 3Å; A128-C217 HydrophobicContact CB-CB 3.88Å |
| 129 | V | 91.1 | Very high | 87.8 | Confident | 51 Ų | 51 | 35 Ų | 35 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62 | -45.2 | 175 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | S125 V126 R131 C132 L133 I213 | S125-V129 WeakPolarHBondContact O-CG2 3.49Å; S125-V129 PolarHBondContact O-N 3.42Å; V126-V129 PolarHBondContact O-N 3.45Å; V129-R131 VanDerWaalsContact C-N 3.31Å; V129-R131 PolarHBondContact O-N 3.07Å; V129-C132 PolarHBondContact O-N 3.24Å; V129-L133 HydrophobicContact CG1-CD1 3.95Å; V129-L133 HydrophobicContact CG1-CG 4.31Å; V129-L133 WeakPolarHBondContact O-CG 3.34Å; V129-L133 PolarHBondContact O-N 3.44Å; V129-I213 HydrophobicContact CG2-CG2 3.82Å |
| 130 | E | 86.6 | Confident | 86.3 | Confident | 15 Ų | 15 | 39.6 Ų | 39.6 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.2 | -46.1 | 177.9 | -174.8 | -90.1 | 154.6 | 0 | 0 | 111.6 | L67 V126 L133 G134 H141 M145 | L67-E130 HydrophobicContact CD1-CB 4.46Å; L67-E130 HydrophobicContact CD1-CG 4.5Å; V126-E130 WeakPolarHBondContact O-CB 2.99Å; V126-E130 PolarHBondContact O-N 2.99Å; E130-L133 PolarHBondContact O-N 3.35Å; E130-G134 PolarHBondContact O-N 2.94Å; E130-H141 IonicContact OE1-CD2 3.93Å; E130-H141 IonicContact OE1-CE1 3.45Å; E130-H141 PolarHBondContact OE1-CE1 3.36Å; E130-H141 IonicContact OE1-NE2 2.76Å; E130-H141 PolarHBondContact OE1-NE2 3.07Å; E130-M145 HydrophobicContact CG-CE 4.1Å; E130-M145 HydrophobicContact CG-SD 3.57Å; E130-M145 VanDerWaalsContact CG-SD 3.57Å |
| 131 | R | 83.6 | Confident | 85.1 | Confident | 35 Ų | 35 | 40.7 Ų | 40.7 | 13% | 0.132 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -43.1 | 176.1 | -70.3 | 174.4 | -175.3 | 169.4 | 4 | 112.9 | F64 M127 A128 V129 L133 G134 V135 | F64-R131 VanDerWaalsContact CZ-NH2 3.33Å; M127-R131 WeakPolarHBondContact O-CG 3.31Å; M127-R131 PolarHBondContact O-N 3.42Å; M127-R131 VanDerWaalsContact O-N 3.15Å; A128-R131 PolarHBondContact O-N 3.19Å; V129-R131 VanDerWaalsContact C-N 3.31Å; V129-R131 PolarHBondContact O-N 3.07Å; R131-L133 VanDerWaalsContact C-N 3.32Å; R131-L133 PolarHBondContact O-N 2.91Å; R131-G134 PolarHBondContact O-N 3.47Å; R131-V135 PolarHBondContact O-N 3.36Å |
| 132 | C | 86.4 | Confident | 83.7 | Confident | 18 Ų | 18 | 45 Ų | 45 | 12% | 0.122 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60 | -44.7 | 178.2 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | A128 V129 V135 T136 C217 T221 | A128-C132 WeakPolarHBondContact O-CB 3.39Å; A128-C132 PolarHBondContact O-N 3Å; V129-C132 PolarHBondContact O-N 3.24Å; C132-V135 PolarHBondContact O-N 2.87Å; C132-T136 WeakPolarHBondContact O-CB 3.44Å; C132-T136 WeakPolarHBondContact O-CG2 3.39Å; C132-T136 PolarHBondContact O-N 2.9Å; C132-T136 PolarHBondContact O-OG1 3.26Å; C132-C217 HydrophobicContact CB-CB 3.99Å; C132-T221 VanDerWaalsContact CA-OG1 3.28Å; C132-T221 WeakPolarHBondContact CA-OG1 3.4Å |
| 133 | L | 85.5 | Confident | 82.1 | Confident | 63 Ų | 63 | 48.9 Ų | 48.9 | 33% | 0.33 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 175.1 | -68.3 | 175.6 | 0 | 0 | 0 | 112.3 | V129 E130 R131 V135 K137 | V129-L133 HydrophobicContact CG1-CD1 3.95Å; V129-L133 HydrophobicContact CG1-CG 4.31Å; V129-L133 WeakPolarHBondContact O-CG 3.34Å; V129-L133 PolarHBondContact O-N 3.44Å; E130-L133 PolarHBondContact O-N 3.35Å; R131-L133 VanDerWaalsContact C-N 3.32Å; R131-L133 PolarHBondContact O-N 2.91Å; L133-V135 VanDerWaalsContact C-N 3.29Å; L133-V135 PolarHBondContact O-N 3.3Å; L133-K137 CarbonylContact O-C 3.6Å; L133-K137 VanDerWaalsContact O-C 3.29Å; L133-K137 WeakPolarHBondContact O-CA 3.4Å; L133-K137 PolarHBondContact O-N 2.99Å |
| 134 | G | 80.8 | Confident | 80.8 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 24% | 0.237 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.1 | -35.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E130 R131 | E130-G134 PolarHBondContact O-N 2.94Å; R131-G134 PolarHBondContact O-N 3.47Å |
| 135 | V | 81.3 | Confident | 79.6 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -85 | -41.5 | 179.2 | 173.5 | 0 | 0 | 0 | 0 | 112.5 | R131 C132 L133 T221 T224 L225 | R131-V135 PolarHBondContact O-N 3.36Å; C132-V135 PolarHBondContact O-N 2.87Å; L133-V135 VanDerWaalsContact C-N 3.29Å; L133-V135 PolarHBondContact O-N 3.3Å; V135-T221 HydrophobicContact CB-CG2 4.2Å; V135-T221 HydrophobicContact CG1-CG2 4.49Å; V135-T221 HydrophobicContact CG2-CG2 3.8Å; V135-T224 HydrophobicContact CG1-CG2 3.78Å; V135-L225 HydrophobicContact CG1-CD2 4.32Å; V135-L225 HydrophobicContact CG1-CG 4.42Å |
| 136 | T | 80.6 | Confident | 78.8 | Confident | 59 Ų | 59 | 58.7 Ų | 58.7 | 36% | 0.362 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -83.7 | -33.6 | -174.7 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | C132 V220 | C132-T136 WeakPolarHBondContact O-CB 3.44Å; C132-T136 WeakPolarHBondContact O-CG2 3.39Å; C132-T136 PolarHBondContact O-N 2.9Å; C132-T136 PolarHBondContact O-OG1 3.26Å; T136-V220 HydrophobicContact CG2-CG1 4.24Å |
| 137 | K | 78.8 | Confident | 78.2 | Confident | 132 Ų | 132 | 60.2 Ų | 60.2 | 57% | 0.574 | 33% | 0.333 | S | S | * | . | trans | -135.6 | 66.5 | -176.4 | -63.1 | -171.4 | -179 | -177.3 | 0 | 111.3 | L133 I139 F140 H141 | L133-K137 CarbonylContact O-C 3.6Å; L133-K137 VanDerWaalsContact O-C 3.29Å; L133-K137 WeakPolarHBondContact O-CA 3.4Å; L133-K137 PolarHBondContact O-N 2.99Å; K137-I139 VanDerWaalsContact C-N 3.32Å; K137-I139 PolarHBondContact O-N 3.36Å; K137-F140 HydrophobicContact CB-CB 4.12Å; K137-F140 PolarHBondContact O-N 3.27Å; K137-H141 PolarHBondContact O-N 2.96Å | ||
| 138 | P | 76.1 | Confident | 77.9 | Confident | 75 Ų | 75 | 68.5 Ų | 68.5 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.3 | -34.5 | -171.9 | 23.4 | -34.2 | 0 | 0 | 0 | 114 | H141 S142 | P138-H141 PolarHBondContact O-N 3.44Å; P138-S142 WeakPolarHBondContact O-CB 3.44Å; P138-S142 PolarHBondContact O-N 3.18Å |
| 139 | I | 69.6 | Low | 77.7 | Confident | 140 Ų | 140 | 72.8 Ų | 72.8 | 72% | 0.718 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -69.4 | -38.6 | -179.6 | -56.6 | 174.1 | 0 | 0 | 0 | 111 | K137 T143 | K137-I139 VanDerWaalsContact C-N 3.32Å; K137-I139 PolarHBondContact O-N 3.36Å; I139-T143 WeakPolarHBondContact O-CG2 3.37Å; I139-T143 PolarHBondContact O-N 3.43Å; I139-T143 PolarHBondContact O-OG1 2.96Å |
| 140 | F | 67.8 | Low | 77.4 | Confident | 96 Ų | 96 | 70.5 Ų | 70.5 | 42% | 0.421 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.1 | -39.5 | 176.3 | -176.1 | -96.2 | 0 | 0 | 0 | 111.8 | K137 T143 K144 | K137-F140 HydrophobicContact CB-CB 4.12Å; K137-F140 PolarHBondContact O-N 3.27Å; F140-T143 PolarHBondContact O-N 3.47Å; F140-T143 PolarHBondContact O-OG1 3.23Å; F140-K144 HydrophobicContact CD2-CD 4.32Å; F140-K144 HydrophobicContact CD2-CG 4.39Å; F140-K144 HydrophobicContact CE1-CD 4.12Å; F140-K144 HydrophobicContact CE2-CD 3.58Å; F140-K144 HydrophobicContact CE2-CG 4.13Å; F140-K144 HydrophobicContact CZ-CD 3.47Å; F140-K144 VanDerWaalsContact CZ-CD 3.47Å; F140-K144 HydrophobicContact CZ-CG 4.23Å; F140-K144 WeakPolarHBondContact O-CB 3.46Å; F140-K144 PolarHBondContact O-N 2.92Å |
| 141 | H | 69.4 | Low | 77.6 | Confident | 26 Ų | 26 | 75.7 Ų | 75.7 | 12% | 0.12 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 176.3 | -179.9 | -86.9 | 0 | 0 | 0 | 111.8 | E130 K137 P138 T143 M145 | E130-H141 IonicContact OE1-CD2 3.93Å; E130-H141 IonicContact OE1-CE1 3.45Å; E130-H141 PolarHBondContact OE1-CE1 3.36Å; E130-H141 IonicContact OE1-NE2 2.76Å; E130-H141 PolarHBondContact OE1-NE2 3.07Å; K137-H141 PolarHBondContact O-N 2.96Å; P138-H141 PolarHBondContact O-N 3.44Å; H141-T143 VanDerWaalsContact C-N 3.31Å; H141-T143 PolarHBondContact O-N 2.9Å; H141-M145 WeakPolarHBondContact O-CB 3.23Å; H141-M145 PolarHBondContact O-N 3.28Å |
| 142 | S | 66.3 | Low | 77.9 | Confident | 100 Ų | 100 | 79.4 Ų | 79.4 | 70% | 0.699 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.1 | -34 | -179.9 | -170.5 | 0 | 0 | 0 | 0 | 113.5 | P138 | P138-S142 WeakPolarHBondContact O-CB 3.44Å; P138-S142 PolarHBondContact O-N 3.18Å |
| 143 | T | 63.7 | Low | 78.2 | Confident | 99 Ų | 99 | 82 Ų | 82 | 61% | 0.607 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -88.8 | -34.1 | -176.2 | 48.7 | 0 | 0 | 0 | 0 | 113.7 | I139 F140 H141 | I139-T143 WeakPolarHBondContact O-CG2 3.37Å; I139-T143 PolarHBondContact O-N 3.43Å; I139-T143 PolarHBondContact O-OG1 2.96Å; F140-T143 PolarHBondContact O-N 3.47Å; F140-T143 PolarHBondContact O-OG1 3.23Å; H141-T143 VanDerWaalsContact C-N 3.31Å; H141-T143 PolarHBondContact O-N 2.9Å |
| 144 | K | 66.6 | Low | 78.6 | Confident | 126 Ų | 126 | 80.8 Ų | 80.8 | 55% | 0.548 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -97.5 | -29.5 | -177.2 | -71.8 | -148.1 | -176.7 | -179 | 0 | 115.4 | F140 T146 | F140-K144 HydrophobicContact CD2-CD 4.32Å; F140-K144 HydrophobicContact CD2-CG 4.39Å; F140-K144 HydrophobicContact CE1-CD 4.12Å; F140-K144 HydrophobicContact CE2-CD 3.58Å; F140-K144 HydrophobicContact CE2-CG 4.13Å; F140-K144 HydrophobicContact CZ-CD 3.47Å; F140-K144 VanDerWaalsContact CZ-CD 3.47Å; F140-K144 HydrophobicContact CZ-CG 4.23Å; F140-K144 WeakPolarHBondContact O-CB 3.46Å; F140-K144 PolarHBondContact O-N 2.92Å; K144-T146 PolarHBondContact O-N 3.36Å |
| 145 | M | 68.8 | Low | 79.2 | Confident | 42 Ų | 42 | 83.4 Ų | 83.4 | 21% | 0.207 | 43% | 0.434 | C | S | . | . | trans | -83.1 | 85.5 | -175.2 | -70.3 | -142.6 | 90.6 | 0 | 0 | 112.2 | E130 H141 V150 M153 | E130-M145 HydrophobicContact CG-CE 4.1Å; E130-M145 HydrophobicContact CG-SD 3.57Å; E130-M145 VanDerWaalsContact CG-SD 3.57Å; H141-M145 WeakPolarHBondContact O-CB 3.23Å; H141-M145 PolarHBondContact O-N 3.28Å; M145-V150 HydrophobicContact CE-CG2 3.87Å; M145-M153 HydrophobicContact CE-SD 4.39Å | ||
| 146 | T | 78.5 | Confident | 79.9 | Confident | 62 Ų | 62 | 86.7 Ų | 86.7 | 38% | 0.38 | 45% | 0.447 | S | S | . | . | trans | -90.8 | 157.3 | 169.6 | 77.2 | 0 | 0 | 0 | 0 | 111.3 | K144 K148 H149 V150 | K144-T146 PolarHBondContact O-N 3.36Å; T146-K148 PolarHBondContact O-N 3.38Å; T146-K148 VanDerWaalsContact O-N 3.11Å; T146-H149 PolarHBondContact O-N 3.2Å; T146-H149 VanDerWaalsContact O-N 3.07Å; T146-H149 PolarHBondContact OG1-ND1 3.41Å; T146-V150 PolarHBondContact O-N 2.95Å | ||
| 147 | S | 79.5 | Confident | 80.7 | Confident | 53 Ų | 53 | 84.9 Ų | 84.9 | 37% | 0.371 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.1 | -25.4 | 177.2 | -51.5 | 0 | 0 | 0 | 0 | 113.4 | K151 | S147-K151 VanDerWaalsContact O-CG 3.32Å; S147-K151 WeakPolarHBondContact O-CG 3.46Å; S147-K151 PolarHBondContact O-N 2.9Å; S147-K151 VanDerWaalsContact O-N 3.1Å |
| 148 | K | 84.4 | Confident | 81.6 | Confident | 175 Ų | 175 | 80.1 Ų | 80.1 | 76% | 0.761 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.1 | -46.8 | 174.7 | -68.4 | -174.7 | 178.8 | -178.5 | 0 | 111.2 | T146 V150 K151 M152 | T146-K148 PolarHBondContact O-N 3.38Å; T146-K148 VanDerWaalsContact O-N 3.11Å; K148-V150 VanDerWaalsContact C-N 3.33Å; K148-V150 PolarHBondContact O-N 2.66Å; K148-K151 PolarHBondContact O-N 2.87Å; K148-M152 WeakPolarHBondContact O-CB 3.48Å; K148-M152 PolarHBondContact O-N 3.22Å |
| 149 | H | 85.4 | Confident | 82.6 | Confident | 92 Ų | 92 | 81.5 Ų | 81.5 | 43% | 0.426 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 177.9 | -68.1 | 89.5 | 0 | 0 | 0 | 111.6 | T146 M152 M153 | T146-H149 PolarHBondContact O-N 3.2Å; T146-H149 VanDerWaalsContact O-N 3.07Å; T146-H149 PolarHBondContact OG1-ND1 3.41Å; H149-M152 WeakPolarHBondContact O-CB 3.49Å; H149-M152 PolarHBondContact O-N 3.41Å; H149-M153 WeakPolarHBondContact O-CG 2.84Å; H149-M153 PolarHBondContact O-N 2.94Å |
| 150 | V | 86.2 | Confident | 83.9 | Confident | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.012 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 178.5 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | L66 L67 M145 T146 K148 M152 M153 L154 | L66-V150 HydrophobicContact CB-CG1 3.95Å; L66-V150 HydrophobicContact CD1-CG1 4.47Å; L67-V150 HydrophobicContact CD1-CG1 4.39Å; L67-V150 HydrophobicContact CD2-CG1 3.93Å; L67-V150 HydrophobicContact CG-CG1 3.71Å; M145-V150 HydrophobicContact CE-CG2 3.87Å; T146-V150 PolarHBondContact O-N 2.95Å; K148-V150 VanDerWaalsContact C-N 3.33Å; K148-V150 PolarHBondContact O-N 2.66Å; V150-M152 VanDerWaalsContact C-N 3.33Å; V150-M152 PolarHBondContact O-N 3.49Å; V150-M153 PolarHBondContact O-N 3.34Å; V150-L154 WeakPolarHBondContact O-CB 3.47Å; V150-L154 PolarHBondContact O-N 3.29Å |
| 151 | K | 89.6 | Confident | 85.4 | Confident | 124 Ų | 124 | 74.5 Ų | 74.5 | 54% | 0.539 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 174.3 | -74.1 | 178.9 | -179.7 | -170.7 | 0 | 111.3 | S147 K148 L154 T155 | S147-K151 VanDerWaalsContact O-CG 3.32Å; S147-K151 WeakPolarHBondContact O-CG 3.46Å; S147-K151 PolarHBondContact O-N 2.9Å; S147-K151 VanDerWaalsContact O-N 3.1Å; K148-K151 PolarHBondContact O-N 2.87Å; K151-L154 PolarHBondContact O-N 3.23Å; K151-T155 PolarHBondContact O-N 3.45Å; K151-T155 PolarHBondContact O-OG1 3.01Å; K151-T155 VanDerWaalsContact O-OG1 3.07Å |
| 152 | M | 91.4 | Very high | 86.7 | Confident | 114 Ų | 114 | 76 Ų | 76 | 56% | 0.562 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.7 | -45.9 | 175.8 | -172.6 | -177.2 | 75.9 | 0 | 0 | 111.6 | K148 H149 V150 L154 T155 M156 | K148-M152 WeakPolarHBondContact O-CB 3.48Å; K148-M152 PolarHBondContact O-N 3.22Å; H149-M152 WeakPolarHBondContact O-CB 3.49Å; H149-M152 PolarHBondContact O-N 3.41Å; V150-M152 VanDerWaalsContact C-N 3.33Å; V150-M152 PolarHBondContact O-N 3.49Å; M152-L154 PolarHBondContact O-N 3.35Å; M152-T155 PolarHBondContact O-N 3.34Å; M152-M156 HydrophobicContact CG-CG 4.47Å; M152-M156 WeakPolarHBondContact O-CB 3.28Å; M152-M156 VanDerWaalsContact O-CG 3.26Å; M152-M156 WeakPolarHBondContact O-CG 3.47Å; M152-M156 PolarHBondContact O-N 3Å |
| 153 | M | 91.6 | Very high | 88.2 | Confident | 73 Ų | 73 | 75.7 Ų | 75.7 | 36% | 0.36 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 175.9 | -71.8 | -174.3 | 78.4 | 0 | 0 | 112 | V126 M145 H149 V150 T155 M156 V157 | V126-M153 HydrophobicContact CG1-CE 3.6Å; V126-M153 HydrophobicContact CG1-SD 4.47Å; V126-M153 HydrophobicContact CG2-CE 4.23Å; M145-M153 HydrophobicContact CE-SD 4.39Å; H149-M153 WeakPolarHBondContact O-CG 2.84Å; H149-M153 PolarHBondContact O-N 2.94Å; V150-M153 PolarHBondContact O-N 3.34Å; M153-T155 PolarHBondContact O-N 3.26Å; M153-M156 PolarHBondContact O-N 2.77Å; M153-V157 WeakPolarHBondContact O-CB 3.41Å; M153-V157 WeakPolarHBondContact O-CG2 3.39Å; M153-V157 PolarHBondContact O-N 3.48Å |
| 154 | L | 93.6 | Very high | 89.8 | Confident | 37 Ų | 37 | 71.5 Ų | 71.5 | 19% | 0.194 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.3 | -49.1 | 175.9 | 176 | 61 | 0 | 0 | 0 | 110.9 | L123 V150 K151 M152 M156 V157 C158 | L123-L154 HydrophobicContact CD1-CD1 4.18Å; L123-L154 HydrophobicContact CD2-CD1 3.52Å; V150-L154 WeakPolarHBondContact O-CB 3.47Å; V150-L154 PolarHBondContact O-N 3.29Å; K151-L154 PolarHBondContact O-N 3.23Å; M152-L154 PolarHBondContact O-N 3.35Å; L154-M156 PolarHBondContact O-N 2.79Å; L154-V157 PolarHBondContact O-N 3.16Å; L154-C158 PolarHBondContact O-N 2.89Å; L154-C158 PolarHBondContact O-SG 3.11Å |
| 155 | T | 95 | Very high | 91.2 | Very high | 77 Ų | 77 | 65.5 Ų | 65.5 | 47% | 0.472 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 177.2 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | K151 M152 M153 V157 C158 L159 | K151-T155 PolarHBondContact O-N 3.45Å; K151-T155 PolarHBondContact O-OG1 3.01Å; K151-T155 VanDerWaalsContact O-OG1 3.07Å; M152-T155 PolarHBondContact O-N 3.34Å; M153-T155 PolarHBondContact O-N 3.26Å; T155-V157 PolarHBondContact O-N 3.37Å; T155-C158 PolarHBondContact O-N 2.88Å; T155-L159 HydrophobicContact CG2-CD1 3.83Å; T155-L159 HydrophobicContact CG2-CG 4.19Å; T155-L159 WeakPolarHBondContact O-CB 3.43Å; T155-L159 VanDerWaalsContact O-CG 3.26Å; T155-L159 WeakPolarHBondContact O-CG 3.28Å; T155-L159 PolarHBondContact O-N 2.99Å |
| 156 | M | 95.9 | Very high | 92.5 | Very high | 117 Ų | 117 | 66.5 Ų | 66.5 | 58% | 0.576 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.6 | -41.2 | 179.3 | -71 | -60 | -67.1 | 0 | 0 | 112.4 | M152 M153 L154 L159 F160 | M152-M156 HydrophobicContact CG-CG 4.47Å; M152-M156 WeakPolarHBondContact O-CB 3.28Å; M152-M156 VanDerWaalsContact O-CG 3.26Å; M152-M156 WeakPolarHBondContact O-CG 3.47Å; M152-M156 PolarHBondContact O-N 3Å; M153-M156 PolarHBondContact O-N 2.77Å; L154-M156 PolarHBondContact O-N 2.79Å; M156-L159 PolarHBondContact O-N 2.95Å; M156-F160 VanDerWaalsContact O-CB 3.27Å; M156-F160 WeakPolarHBondContact O-CB 3.35Å; M156-F160 PolarHBondContact O-N 3.01Å |
| 157 | V | 97.2 | Very high | 93.3 | Very high | 20 Ų | 20 | 65.8 Ų | 65.8 | 12% | 0.121 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 175.7 | 167.4 | 0 | 0 | 0 | 0 | 110.9 | F122 L123 V126 M153 L154 T155 F160 A161 | F122-V157 HydrophobicContact CB-CG1 3.45Å; F122-V157 VanDerWaalsContact CB-CG1 3.45Å; F122-V157 HydrophobicContact CD2-CG1 4.33Å; F122-V157 HydrophobicContact CG-CG1 4.38Å; L123-V157 HydrophobicContact CD2-CB 4.23Å; L123-V157 HydrophobicContact CD2-CG1 3.82Å; L123-V157 HydrophobicContact CG-CG1 3.98Å; V126-V157 HydrophobicContact CG2-CG2 4.05Å; M153-V157 WeakPolarHBondContact O-CB 3.41Å; M153-V157 WeakPolarHBondContact O-CG2 3.39Å; M153-V157 PolarHBondContact O-N 3.48Å; L154-V157 PolarHBondContact O-N 3.16Å; T155-V157 PolarHBondContact O-N 3.37Å; V157-F160 PolarHBondContact O-N 2.99Å; V157-A161 WeakPolarHBondContact O-CB 3.21Å; V157-A161 PolarHBondContact O-N 3.38Å |
| 158 | C | 96.8 | Very high | 93.8 | Very high | 33 Ų | 33 | 63.4 Ų | 63.4 | 22% | 0.223 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 177.6 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | L154 T155 F160 A161 V162 | L154-C158 PolarHBondContact O-N 2.89Å; L154-C158 PolarHBondContact O-SG 3.11Å; T155-C158 PolarHBondContact O-N 2.88Å; C158-F160 VanDerWaalsContact C-N 3.35Å; C158-F160 PolarHBondContact O-N 2.91Å; C158-A161 PolarHBondContact O-N 3.45Å; C158-V162 WeakPolarHBondContact O-CG2 3.25Å; C158-V162 PolarHBondContact O-N 3.41Å |
| 159 | L | 97.5 | Very high | 94.1 | Very high | 104 Ų | 104 | 58.1 Ų | 58.1 | 55% | 0.545 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 178.1 | -72.4 | 176.3 | 0 | 0 | 0 | 111.9 | T155 M156 V162 L163 | T155-L159 HydrophobicContact CG2-CD1 3.83Å; T155-L159 HydrophobicContact CG2-CG 4.19Å; T155-L159 WeakPolarHBondContact O-CB 3.43Å; T155-L159 VanDerWaalsContact O-CG 3.26Å; T155-L159 WeakPolarHBondContact O-CG 3.28Å; T155-L159 PolarHBondContact O-N 2.99Å; M156-L159 PolarHBondContact O-N 2.95Å; L159-V162 PolarHBondContact O-N 3.39Å; L159-L163 WeakPolarHBondContact O-CB 3.31Å; L159-L163 PolarHBondContact O-N 2.71Å |
| 160 | F | 97.8 | Very high | 94.3 | Very high | 88 Ų | 88 | 59.2 Ų | 59.2 | 39% | 0.386 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 176 | -176.9 | -115.5 | 0 | 0 | 0 | 111.3 | F122 M156 V157 C158 V162 L163 I164 L206 | F122-F160 HydrophobicContact CD2-CD1 4.11Å; F122-F160 HydrophobicContact CE1-CE1 4.44Å; F122-F160 AromaticContact CE2-CD1 3.53Å; F122-F160 HydrophobicContact CE2-CD1 3.53Å; F122-F160 AromaticContact CE2-CE1 3.73Å; F122-F160 HydrophobicContact CE2-CE1 3.73Å; F122-F160 AromaticContact CZ-CD1 3.94Å; F122-F160 HydrophobicContact CZ-CD1 3.94Å; F122-F160 AromaticContact CZ-CE1 3.63Å; F122-F160 HydrophobicContact CZ-CE1 3.63Å; M156-F160 VanDerWaalsContact O-CB 3.27Å; M156-F160 WeakPolarHBondContact O-CB 3.35Å; M156-F160 PolarHBondContact O-N 3.01Å; V157-F160 PolarHBondContact O-N 2.99Å; C158-F160 VanDerWaalsContact C-N 3.35Å; C158-F160 PolarHBondContact O-N 2.91Å; F160-V162 VanDerWaalsContact C-N 3.35Å; F160-V162 PolarHBondContact O-N 3.45Å; F160-L163 WeakPolarHBondContact O-CB 3.25Å; F160-L163 PolarHBondContact O-N 2.68Å; F160-I164 HydrophobicContact CE1-CG1 4.39Å; F160-I164 HydrophobicContact CE2-CD1 4.13Å; F160-I164 HydrophobicContact CE2-CG1 4.3Å; F160-I164 HydrophobicContact CZ-CD1 4.1Å; F160-I164 HydrophobicContact CZ-CG1 4.18Å; F160-I164 WeakPolarHBondContact O-CG1 3.43Å; F160-I164 PolarHBondContact O-N 3.12Å; F160-I164 VanDerWaalsContact O-N 3.07Å; F160-L206 HydrophobicContact CE1-CD1 4.26Å; F160-L206 HydrophobicContact CE1-CD2 4.32Å; F160-L206 HydrophobicContact CZ-CD1 4.19Å; F160-L206 HydrophobicContact CZ-CD2 4.27Å |
| 161 | A | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F115 C119 F122 V157 C158 I164 A165 | F115-A161 HydrophobicContact CD2-CB 3.79Å; F115-A161 HydrophobicContact CE2-CB 4.03Å; C119-A161 HydrophobicContact CB-CB 3.84Å; F122-A161 HydrophobicContact CD2-CB 4.39Å; F122-A161 HydrophobicContact CE2-CB 4.46Å; V157-A161 WeakPolarHBondContact O-CB 3.21Å; V157-A161 PolarHBondContact O-N 3.38Å; C158-A161 PolarHBondContact O-N 3.45Å; A161-I164 PolarHBondContact O-N 2.86Å; A161-A165 WeakPolarHBondContact O-CB 3.27Å; A161-A165 PolarHBondContact O-N 2.63Å |
| 162 | V | 97.7 | Very high | 94.2 | Very high | 57 Ų | 57 | 69.4 Ų | 69.4 | 35% | 0.345 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 174.5 | 168.6 | 0 | 0 | 0 | 0 | 111 | F115 C158 L159 F160 I164 A165 L166 | F115-V162 HydrophobicContact CD2-CG2 3.68Å; F115-V162 HydrophobicContact CE2-CG2 3.62Å; C158-V162 WeakPolarHBondContact O-CG2 3.25Å; C158-V162 PolarHBondContact O-N 3.41Å; L159-V162 PolarHBondContact O-N 3.39Å; F160-V162 VanDerWaalsContact C-N 3.35Å; F160-V162 PolarHBondContact O-N 3.45Å; V162-I164 VanDerWaalsContact C-N 3.34Å; V162-I164 PolarHBondContact O-N 2.94Å; V162-A165 PolarHBondContact O-N 3.05Å; V162-L166 HydrophobicContact CG1-CD1 3.63Å; V162-L166 HydrophobicContact CG1-CG 4.19Å; V162-L166 WeakPolarHBondContact O-CB 3.28Å; V162-L166 WeakPolarHBondContact O-CG 3.19Å; V162-L166 PolarHBondContact O-N 3.07Å |
| 163 | L | 97.1 | Very high | 94 | Very high | 94 Ų | 94 | 68.2 Ų | 68.2 | 49% | 0.492 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 177.8 | 177.2 | 63.9 | 0 | 0 | 0 | 111.3 | L159 F160 A165 L166 L167 | L159-L163 WeakPolarHBondContact O-CB 3.31Å; L159-L163 PolarHBondContact O-N 2.71Å; F160-L163 WeakPolarHBondContact O-CB 3.25Å; F160-L163 PolarHBondContact O-N 2.68Å; L163-A165 VanDerWaalsContact C-N 3.34Å; L163-A165 PolarHBondContact O-N 3.28Å; L163-L166 PolarHBondContact O-N 3.32Å; L163-L167 WeakPolarHBondContact O-CB 3.07Å; L163-L167 PolarHBondContact O-N 2.93Å |
| 164 | I | 97 | Very high | 93.8 | Very high | 11 Ų | 11 | 66.9 Ų | 66.9 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 178 | -58.5 | -63.4 | 0 | 0 | 0 | 111.4 | L118 F160 A161 V162 L166 L202 L206 | L118-I164 HydrophobicContact CD1-CB 4.17Å; L118-I164 HydrophobicContact CD1-CG2 3.62Å; F160-I164 HydrophobicContact CE1-CG1 4.39Å; F160-I164 HydrophobicContact CE2-CD1 4.13Å; F160-I164 HydrophobicContact CE2-CG1 4.3Å; F160-I164 HydrophobicContact CZ-CD1 4.1Å; F160-I164 HydrophobicContact CZ-CG1 4.18Å; F160-I164 WeakPolarHBondContact O-CG1 3.43Å; F160-I164 PolarHBondContact O-N 3.12Å; F160-I164 VanDerWaalsContact O-N 3.07Å; A161-I164 PolarHBondContact O-N 2.86Å; V162-I164 VanDerWaalsContact C-N 3.34Å; V162-I164 PolarHBondContact O-N 2.94Å; I164-L166 VanDerWaalsContact C-N 3.34Å; I164-L166 PolarHBondContact O-N 3.47Å; I164-L202 HydrophobicContact CD1-CD2 3.97Å; I164-L202 HydrophobicContact CD1-CG 4.37Å; I164-L202 HydrophobicContact CG2-CD2 4.24Å; I164-L202 HydrophobicContact CG2-CG 4.45Å; I164-L206 HydrophobicContact CD1-CD1 3.92Å; I164-L206 HydrophobicContact CG1-CD1 4.04Å; I164-L206 HydrophobicContact CG2-CD1 4.42Å |
| 165 | A | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.7 | -26.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I111 V114 F115 A161 V162 L163 Y175 | I111-A165 HydrophobicContact CG2-CB 3.91Å; V114-A165 HydrophobicContact CB-CB 4.03Å; V114-A165 HydrophobicContact CG1-CB 3.81Å; F115-A165 HydrophobicContact CB-CB 4.13Å; A161-A165 WeakPolarHBondContact O-CB 3.27Å; A161-A165 PolarHBondContact O-N 2.63Å; V162-A165 PolarHBondContact O-N 3.05Å; L163-A165 VanDerWaalsContact C-N 3.34Å; L163-A165 PolarHBondContact O-N 3.28Å; A165-Y175 PolarHBondContact O-OH 3.4Å |
| 166 | L | 96.1 | Very high | 93.6 | Very high | 64 Ų | 64 | 65.8 Ų | 65.8 | 34% | 0.335 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -91.7 | -19.1 | 178.1 | -67.9 | 177.1 | 0 | 0 | 0 | 113.5 | I111 V162 L163 I164 I169 L170 | I111-L166 HydrophobicContact CD1-CD2 3.98Å; I111-L166 HydrophobicContact CG1-CD2 4.33Å; I111-L166 HydrophobicContact CG2-CD2 4.12Å; V162-L166 HydrophobicContact CG1-CD1 3.63Å; V162-L166 HydrophobicContact CG1-CG 4.19Å; V162-L166 WeakPolarHBondContact O-CB 3.28Å; V162-L166 WeakPolarHBondContact O-CG 3.19Å; V162-L166 PolarHBondContact O-N 3.07Å; L163-L166 PolarHBondContact O-N 3.32Å; I164-L166 VanDerWaalsContact C-N 3.34Å; I164-L166 PolarHBondContact O-N 3.47Å; L166-I169 PolarHBondContact O-N 2.99Å; L166-L170 HydrophobicContact CB-CD1 4.48Å; L166-L170 WeakPolarHBondContact O-CG 3.2Å; L166-L170 PolarHBondContact O-N 3.23Å; L166-L170 VanDerWaalsContact O-N 3.1Å |
| 167 | L | 94.4 | Very high | 93.3 | Very high | 47 Ų | 47 | 63 Ų | 63 | 25% | 0.246 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -49.5 | -42.9 | -175.1 | -165.8 | 66.5 | 0 | 0 | 0 | 114.9 | L163 I169 L170 R171 F198 Y199 L202 | L163-L167 WeakPolarHBondContact O-CB 3.07Å; L163-L167 PolarHBondContact O-N 2.93Å; L167-I169 PolarHBondContact O-N 3.09Å; L167-L170 PolarHBondContact O-N 2.87Å; L167-R171 PolarHBondContact O-N 2.98Å; L167-F198 HydrophobicContact CD2-CE1 4.19Å; L167-Y199 HydrophobicContact CB-CE1 4.29Å; L167-Y199 HydrophobicContact CD2-CD1 4.31Å; L167-Y199 HydrophobicContact CD2-CE1 3.82Å; L167-Y199 HydrophobicContact CG-CE1 3.85Å; L167-L202 HydrophobicContact CD2-CD2 3.8Å |
| 168 | P | 91.5 | Very high | 93 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 179.1 | -16.3 | 28.2 | 0 | 0 | 0 | 112.2 | R171 F172 R173 Y175 Y186 Y199 | P168-R171 CarbonylContact O-C 3.56Å; P168-R171 WeakPolarHBondContact O-CA 3.34Å; P168-R171 PolarHBondContact O-N 3.29Å; P168-R171 VanDerWaalsContact O-N 3.09Å; P168-F172 PolarHBondContact O-N 2.64Å; P168-R173 CarbonylContact C-O 3.29Å; P168-R173 HydrophobicContact CB-CB 4.12Å; P168-R173 WeakPolarHBondContact O-CA 3.26Å; P168-R173 WeakPolarHBondContact O-CB 3.28Å; P168-R173 PolarHBondContact O-N 2.62Å; P168-Y175 HydrophobicContact CG-CE2 4.2Å; P168-Y186 HydrophobicContact CG-CD1 4.33Å; P168-Y186 HydrophobicContact CG-CE1 3.55Å; P168-Y199 HydrophobicContact CB-CD2 4.42Å; P168-Y199 HydrophobicContact CB-CE2 4.24Å; P168-Y199 HydrophobicContact CG-CD1 4.17Å; P168-Y199 HydrophobicContact CG-CE1 4.31Å; P168-Y199 HydrophobicContact CG-CG 4.3Å |
| 169 | I | 89.8 | Confident | 92.3 | Very high | 63 Ų | 63 | 61.7 Ų | 61.7 | 32% | 0.323 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.7 | -38.1 | -176.2 | -60.9 | 174.4 | 0 | 0 | 0 | 110.4 | I111 L166 L167 R171 F172 Y175 | I111-I169 HydrophobicContact CD1-CD1 3.2Å; I111-I169 HydrophobicContact CG1-CD1 3.54Å; L166-I169 PolarHBondContact O-N 2.99Å; L167-I169 PolarHBondContact O-N 3.09Å; I169-R171 PolarHBondContact O-N 3.07Å; I169-R171 VanDerWaalsContact O-N 3.17Å; I169-F172 PolarHBondContact O-N 3.3Å; I169-Y175 HydrophobicContact CD1-CD2 4.2Å; I169-Y175 HydrophobicContact CD1-CE2 4.05Å; I169-Y175 HydrophobicContact CG1-CD2 4.29Å; I169-Y175 HydrophobicContact CG1-CE2 4.14Å |
| 170 | L | 89.8 | Confident | 91.6 | Very high | 115 Ų | 115 | 57 Ų | 57 | 60% | 0.602 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.7 | -22.7 | 173.1 | -65.2 | 176 | 0 | 0 | 0 | 112.7 | L166 L167 | L166-L170 HydrophobicContact CB-CD1 4.48Å; L166-L170 WeakPolarHBondContact O-CG 3.2Å; L166-L170 PolarHBondContact O-N 3.23Å; L166-L170 VanDerWaalsContact O-N 3.1Å; L167-L170 PolarHBondContact O-N 2.87Å |
| 171 | R | 87.6 | Confident | 91.1 | Very high | 141 Ų | 141 | 56.9 Ų | 56.9 | 53% | 0.532 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 18.1 | 176.6 | -67.7 | -73.8 | -64.3 | 177.1 | 1.2 | 112.6 | L167 P168 I169 R173 E195 Y199 | L167-R171 PolarHBondContact O-N 2.98Å; P168-R171 CarbonylContact O-C 3.56Å; P168-R171 WeakPolarHBondContact O-CA 3.34Å; P168-R171 PolarHBondContact O-N 3.29Å; P168-R171 VanDerWaalsContact O-N 3.09Å; I169-R171 PolarHBondContact O-N 3.07Å; I169-R171 VanDerWaalsContact O-N 3.17Å; R171-R173 PolarHBondContact O-N 3.07Å; R171-E195 IonicContact CZ-OE1 3.84Å; R171-E195 IonicContact NE-OE1 3.78Å; R171-E195 IonicContact NH2-OE1 2.9Å; R171-E195 PolarHBondContact NH2-OE1 2.88Å; R171-Y199 WeakPolarHBondContact CB-OH 3.37Å; R171-Y199 WeakPolarHBondContact CG-OH 3.4Å |
| 172 | F | 86 | Confident | 90.5 | Very high | 200 Ų | 200 | 57.3 Ų | 57.3 | 88% | 0.877 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 27.4 | -179.5 | -56 | -79.2 | 0 | 0 | 0 | 114.6 | P168 I169 | P168-F172 PolarHBondContact O-N 2.64Å; I169-F172 PolarHBondContact O-N 3.3Å |
| 173 | R | 87.9 | Confident | 90.2 | Very high | 89 Ų | 89 | 54.9 Ų | 54.9 | 34% | 0.336 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -99.7 | 129.8 | 171.8 | -64.2 | -63.3 | -174.3 | -176.6 | 5.1 | 110.3 | P168 R171 E195 Y199 | P168-R173 CarbonylContact C-O 3.29Å; P168-R173 HydrophobicContact CB-CB 4.12Å; P168-R173 WeakPolarHBondContact O-CA 3.26Å; P168-R173 WeakPolarHBondContact O-CB 3.28Å; P168-R173 PolarHBondContact O-N 2.62Å; R171-R173 PolarHBondContact O-N 3.07Å; R173-E195 IonicContact CZ-OE2 3.91Å; R173-E195 VanDerWaalsContact CZ-OE2 3.26Å; R173-E195 IonicContact NE-OE2 2.86Å; R173-E195 PolarHBondContact NE-OE2 3.12Å; R173-E195 IonicContact NH2-OE2 3.45Å; R173-E195 PolarHBondContact NH2-OE2 2.88Å; R173-Y199 HydrophobicContact CB-CE2 4.43Å; R173-Y199 HydrophobicContact CG-CE2 4.24Å |
| 174 | A | 86.7 | Confident | 90.1 | Very high | 45 Ų | 45 | 50.4 Ų | 50.4 | 37% | 0.372 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -91.4 | 144.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N103 | N103-A174 VanDerWaalsContact ND2-CB 3.35Å; N103-A174 WeakPolarHBondContact ND2-CB 3.37Å |
| 175 | Y | 92.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 146.8 | 163.4 | -73.8 | -89.3 | 0 | 0 | 0 | 110.3 | G110 I111 V114 A165 P168 I169 Y186 | G110-Y175 VanDerWaalsContact C-CE1 3.48Å; G110-Y175 VanDerWaalsContact CA-CD1 3.46Å; I111-Y175 HydrophobicContact CG1-CD2 4.3Å; I111-Y175 HydrophobicContact CG1-CE2 3.69Å; V114-Y175 HydrophobicContact CG2-CE1 3.81Å; A165-Y175 PolarHBondContact O-OH 3.4Å; P168-Y175 HydrophobicContact CG-CE2 4.2Å; I169-Y175 HydrophobicContact CD1-CD2 4.2Å; I169-Y175 HydrophobicContact CD1-CE2 4.05Å; I169-Y175 HydrophobicContact CG1-CD2 4.29Å; I169-Y175 HydrophobicContact CG1-CE2 4.14Å; Y175-Y186 HydrophobicContact CD1-CD1 4.41Å; Y175-Y186 AromaticContact CE1-CD1 3.88Å; Y175-Y186 HydrophobicContact CE1-CD1 3.88Å; Y175-Y186 AromaticContact CE1-CE1 3.71Å; Y175-Y186 HydrophobicContact CE1-CE1 3.71Å; Y175-Y186 AromaticContact CZ-CE1 3.97Å |
| 176 | Q | 90.8 | Very high | 89.8 | Confident | 90 Ų | 90 | 50.4 Ų | 50.4 | 42% | 0.421 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 144.9 | -174.6 | -66.6 | -67.3 | -6.7 | 0 | 0 | 111.8 | Q178 C184 F185 K187 | Q176-Q178 PolarHBondContact O-NE2 2.92Å; Q176-Q178 VanDerWaalsContact O-NE2 3.12Å; Q176-C184 WeakPolarHBondContact O-CA 3.42Å; Q176-F185 PolarHBondContact N-O 3.21Å; Q176-F185 PolarHBondContact O-N 3.01Å; Q176-F185 VanDerWaalsContact O-N 3.12Å; Q176-K187 HydrophobicContact CG-CB 4.09Å; Q176-K187 HydrophobicContact CG-CG 4.34Å |
| 177 | I | 90.8 | Very high | 89.4 | Confident | 57 Ų | 57 | 50.2 Ų | 50.2 | 29% | 0.292 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 128.5 | 172.4 | -57.7 | 160.6 | 0 | 0 | 0 | 107.8 | W96 C106 R181 | W96-I177 HydrophobicContact CB-CD1 3.62Å; W96-I177 HydrophobicContact CD2-CD1 3.59Å; W96-I177 HydrophobicContact CD2-CG1 3.84Å; W96-I177 HydrophobicContact CD2-CG2 4.27Å; W96-I177 HydrophobicContact CE3-CD1 3.79Å; W96-I177 HydrophobicContact CE3-CG1 3.94Å; W96-I177 HydrophobicContact CG-CD1 3.51Å; W96-I177 HydrophobicContact CG-CG1 4.2Å; W96-I177 HydrophobicContact CG-CG2 4.32Å; W96-I177 HydrophobicContact CZ2-CG2 4.45Å; W96-I177 HydrophobicContact CZ3-CG1 4.39Å; C106-I177 HydrophobicContact CB-CG1 4.44Å; I177-R181 HydrophobicContact CG2-CB 4.21Å; I177-R181 HydrophobicContact CG2-CG 4.28Å |
| 178 | Q | 90.4 | Very high | 89 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | trans | -82.5 | 163.7 | -177 | -55.9 | -67.2 | -52.3 | 0 | 0 | 111.4 | Q176 S180 R181 W183 F185 Y186 T188 | Q176-Q178 PolarHBondContact O-NE2 2.92Å; Q176-Q178 VanDerWaalsContact O-NE2 3.12Å; Q178-S180 PolarHBondContact O-N 3.45Å; Q178-R181 WeakPolarHBondContact O-CA 3.19Å; Q178-R181 PolarHBondContact O-N 3.44Å; Q178-W183 HydrophobicContact CB-CD2 4.21Å; Q178-W183 HydrophobicContact CB-CG 4.42Å; Q178-W183 HydrophobicContact CB-CZ2 3.91Å; Q178-W183 HydrophobicContact CG-CD2 3.71Å; Q178-W183 VanDerWaalsContact CG-CE2 3.48Å; Q178-W183 HydrophobicContact CG-CE3 4.05Å; Q178-W183 HydrophobicContact CG-CG 4.24Å; Q178-W183 HydrophobicContact CG-CH2 3.95Å; Q178-W183 HydrophobicContact CG-CZ2 3.58Å; Q178-W183 HydrophobicContact CG-CZ3 4.2Å; Q178-W183 PolarHBondContact N-O 3.45Å; Q178-F185 HydrophobicContact CG-CB 4.24Å; Q178-F185 PolarHBondContact NE2-O 2.89Å; Q178-Y186 PolarHBondContact NE2-O 3.45Å; Q178-T188 PolarHBondContact OE1-OG1 3.47Å | ||
| 179 | A | 83.1 | Confident | 88.4 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -35.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R181 E189 C280 | A179-R181 PolarHBondContact O-N 3.44Å; A179-E189 WeakPolarHBondContact CB-OE1 3.2Å; A179-C280 HydrophobicContact CB-CB 3.99Å |
| 180 | S | 82.1 | Confident | 87.7 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -16.8 | 178.9 | 68.6 | 0 | 0 | 0 | 0 | 113.7 | K94 Q178 T182 W183 | K94-S180 PolarHBondContact NZ-O 2.97Å; Q178-S180 PolarHBondContact O-N 3.45Å; S180-T182 WeakPolarHBondContact O-CG2 3.48Å; S180-T182 PolarHBondContact O-N 2.98Å; S180-T182 PolarHBondContact OG-N 3.33Å; S180-T182 PolarHBondContact OG-OG1 2.91Å; S180-W183 PolarHBondContact OG-NE1 2.79Å |
| 181 | R | 86.8 | Confident | 87.3 | Confident | 85 Ų | 85 | 51.8 Ų | 51.8 | 32% | 0.321 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 56.3 | 24.3 | -171.8 | -51.5 | -177.2 | 81.5 | -164.8 | 4.2 | 113.6 | V89 K94 W96 I177 Q178 A179 | V89-R181 WeakPolarHBondContact CG1-O 3.33Å; K94-R181 HydrophobicContact CB-CB 4.07Å; K94-R181 HydrophobicContact CD-CB 4.29Å; W96-R181 PolarHBondContact NE1-O 2.77Å; I177-R181 HydrophobicContact CG2-CB 4.21Å; I177-R181 HydrophobicContact CG2-CG 4.28Å; Q178-R181 WeakPolarHBondContact O-CA 3.19Å; Q178-R181 PolarHBondContact O-N 3.44Å; A179-R181 PolarHBondContact O-N 3.44Å |
| 182 | T | 86.4 | Confident | 86.7 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -107.1 | -10.2 | -177.8 | 57.5 | 0 | 0 | 0 | 0 | 114 | Y90 K94 S180 | Y90-T182 HydrophobicContact CD1-CG2 4.36Å; Y90-T182 HydrophobicContact CE1-CG2 3.43Å; Y90-T182 VanDerWaalsContact CE1-CG2 3.43Å; Y90-T182 HydrophobicContact CE2-CG2 4.42Å; Y90-T182 VanDerWaalsContact CZ-CG2 3.46Å; Y90-T182 VanDerWaalsContact OH-CG2 3.29Å; Y90-T182 WeakPolarHBondContact OH-CG2 3.32Å; K94-T182 HydrophobicContact CD-CG2 3.93Å; K94-T182 VanDerWaalsContact CE-CG2 3.44Å; S180-T182 WeakPolarHBondContact O-CG2 3.48Å; S180-T182 PolarHBondContact O-N 2.98Å; S180-T182 PolarHBondContact OG-N 3.33Å; S180-T182 PolarHBondContact OG-OG1 2.91Å |
| 183 | W | 91.1 | Very high | 86.7 | Confident | 6 Ų | 6 | 46 Ų | 46 | 2% | 0.023 | 22% | 0.223 | C | C | . | . | trans | -155.8 | 159.4 | -175 | 62.7 | -59.9 | 0 | 0 | 0 | 110.8 | F109 M113 Q178 S180 F185 F262 M266 I283 L287 | F109-W183 HydrophobicContact CE1-CB 4.14Å; F109-W183 HydrophobicContact CZ-CB 4.16Å; M113-W183 HydrophobicContact CE-CB 4.41Å; M113-W183 HydrophobicContact CE-CD2 4.46Å; M113-W183 HydrophobicContact CE-CE3 3.74Å; M113-W183 HydrophobicContact CE-CZ3 4.48Å; Q178-W183 HydrophobicContact CB-CD2 4.21Å; Q178-W183 HydrophobicContact CB-CG 4.42Å; Q178-W183 HydrophobicContact CB-CZ2 3.91Å; Q178-W183 HydrophobicContact CG-CD2 3.71Å; Q178-W183 VanDerWaalsContact CG-CE2 3.48Å; Q178-W183 HydrophobicContact CG-CE3 4.05Å; Q178-W183 HydrophobicContact CG-CG 4.24Å; Q178-W183 HydrophobicContact CG-CH2 3.95Å; Q178-W183 HydrophobicContact CG-CZ2 3.58Å; Q178-W183 HydrophobicContact CG-CZ3 4.2Å; Q178-W183 PolarHBondContact N-O 3.45Å; S180-W183 PolarHBondContact OG-NE1 2.79Å; W183-F185 HydrophobicContact CE3-CB 3.62Å; W183-F185 HydrophobicContact CE3-CG 4.22Å; W183-F185 HydrophobicContact CH2-CB 4Å; W183-F185 HydrophobicContact CH2-CD1 4.27Å; W183-F185 HydrophobicContact CH2-CG 4.25Å; W183-F185 HydrophobicContact CZ3-CB 3.23Å; W183-F185 AromaticContact CZ3-CD1 3.91Å; W183-F185 HydrophobicContact CZ3-CD1 3.91Å; W183-F185 HydrophobicContact CZ3-CD2 4.05Å; W183-F185 AromaticContact CZ3-CG 3.48Å; W183-F185 HydrophobicContact CZ3-CG 3.48Å; W183-F185 VanDerWaalsContact CZ3-CG 3.48Å; W183-F262 HydrophobicContact CH2-CE2 4.31Å; W183-F262 HydrophobicContact CH2-CZ 4.5Å; W183-F262 HydrophobicContact CZ3-CE2 4.5Å; W183-F262 HydrophobicContact CZ3-CZ 4.32Å; W183-M266 HydrophobicContact CH2-CE 3.98Å; W183-I283 HydrophobicContact CH2-CG2 3.87Å; W183-I283 HydrophobicContact CZ2-CG2 3.54Å; W183-L287 HydrophobicContact CD2-CD2 3.83Å; W183-L287 HydrophobicContact CE3-CD2 4.07Å; W183-L287 HydrophobicContact CG-CD2 4.16Å; W183-L287 HydrophobicContact CZ3-CD2 4.49Å | ||
| 184 | C | 93.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 139.4 | 176.1 | -74.8 | 0 | 0 | 0 | 0 | 110.1 | W96 C106 F109 G110 Q176 | W96-C184 WeakPolarHBondContact CH2-SG 3.41Å; C106-C184 WeakPolarHBondContact CA-SG 3.45Å; C106-C184 HydrophobicContact CB-CB 4.09Å; C106-C184 WeakPolarHBondContact CB-SG 3.35Å; C106-C184 VanDerWaalsContact O-CB 3.24Å; C106-C184 WeakPolarHBondContact O-CB 3.36Å; C106-C184 WeakPolarHBondContact SG-CB 3.45Å; C106-C184 CovalentContact SG-SG 2.04Å; C106-C184 PolarHBondContact SG-SG 2.71Å; F109-C184 HydrophobicContact CB-CB 4.19Å; F109-C184 HydrophobicContact CD1-CB 4.25Å; F109-C184 HydrophobicContact CG-CB 4.42Å; G110-C184 WeakPolarHBondContact CA-O 3.3Å; Q176-C184 WeakPolarHBondContact O-CA 3.42Å |
| 185 | F | 94.6 | Very high | 86.8 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | -174.4 | -178.8 | -161 | -116 | 0 | 0 | 0 | 110.2 | M113 V114 Q176 Q178 W183 L200 F203 F262 M266 | M113-F185 HydrophobicContact CB-CD2 4.22Å; V114-F185 HydrophobicContact CG2-CD2 4.02Å; V114-F185 HydrophobicContact CG2-CE2 3.52Å; V114-F185 HydrophobicContact CG2-CZ 4.31Å; Q176-F185 PolarHBondContact N-O 3.21Å; Q176-F185 PolarHBondContact O-N 3.01Å; Q176-F185 VanDerWaalsContact O-N 3.12Å; Q178-F185 HydrophobicContact CG-CB 4.24Å; Q178-F185 PolarHBondContact NE2-O 2.89Å; W183-F185 HydrophobicContact CE3-CB 3.62Å; W183-F185 HydrophobicContact CE3-CG 4.22Å; W183-F185 HydrophobicContact CH2-CB 4Å; W183-F185 HydrophobicContact CH2-CD1 4.27Å; W183-F185 HydrophobicContact CH2-CG 4.25Å; W183-F185 HydrophobicContact CZ3-CB 3.23Å; W183-F185 AromaticContact CZ3-CD1 3.91Å; W183-F185 HydrophobicContact CZ3-CD1 3.91Å; W183-F185 HydrophobicContact CZ3-CD2 4.05Å; W183-F185 AromaticContact CZ3-CG 3.48Å; W183-F185 HydrophobicContact CZ3-CG 3.48Å; W183-F185 VanDerWaalsContact CZ3-CG 3.48Å; F185-L200 HydrophobicContact CE1-CD2 4.23Å; F185-F203 HydrophobicContact CE2-CE2 4.3Å; F185-F203 HydrophobicContact CE2-CZ 4.34Å; F185-F203 AromaticContact CZ-CD1 3.84Å; F185-F203 HydrophobicContact CZ-CD1 3.84Å; F185-F203 HydrophobicContact CZ-CD2 4.16Å; F185-F203 AromaticContact CZ-CE1 3.78Å; F185-F203 HydrophobicContact CZ-CE1 3.78Å; F185-F203 HydrophobicContact CZ-CE2 4.09Å; F185-F203 HydrophobicContact CZ-CG 4.05Å; F185-F203 AromaticContact CZ-CZ 3.92Å; F185-F203 HydrophobicContact CZ-CZ 3.92Å; F185-F262 HydrophobicContact CE1-CZ 4.43Å; F185-F262 HydrophobicContact CZ-CE1 4.4Å; F185-F262 HydrophobicContact CZ-CZ 4.34Å; F185-M266 HydrophobicContact CD1-CE 4.39Å; F185-M266 HydrophobicContact CD1-SD 4.23Å; F185-M266 HydrophobicContact CE1-CE 4.26Å; F185-M266 HydrophobicContact CE1-CG 4.22Å; F185-M266 HydrophobicContact CE1-SD 3.79Å |
| 186 | Y | 93.1 | Very high | 86.6 | Confident | 9 Ų | 9 | 49.5 Ų | 49.5 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -53.6 | 153 | 169.4 | -59 | -54.4 | 0 | 0 | 0 | 111 | V114 P168 Y175 Q178 T188 Y199 L200 F203 | V114-Y186 WeakPolarHBondContact CG1-OH 3.39Å; V114-Y186 HydrophobicContact CG2-CD2 4.41Å; V114-Y186 HydrophobicContact CG2-CE1 4.29Å; V114-Y186 HydrophobicContact CG2-CE2 3.6Å; P168-Y186 HydrophobicContact CG-CD1 4.33Å; P168-Y186 HydrophobicContact CG-CE1 3.55Å; Y175-Y186 HydrophobicContact CD1-CD1 4.41Å; Y175-Y186 AromaticContact CE1-CD1 3.88Å; Y175-Y186 HydrophobicContact CE1-CD1 3.88Å; Y175-Y186 AromaticContact CE1-CE1 3.71Å; Y175-Y186 HydrophobicContact CE1-CE1 3.71Å; Y175-Y186 AromaticContact CZ-CE1 3.97Å; Q178-Y186 PolarHBondContact NE2-O 3.45Å; Y186-T188 PolarHBondContact O-N 3.29Å; Y186-T188 VanDerWaalsContact O-N 3.13Å; Y186-Y199 HydrophobicContact CE1-CG 4.31Å; Y186-L200 HydrophobicContact CD2-CD2 4.21Å; Y186-L200 HydrophobicContact CG-CD2 4.38Å; Y186-F203 HydrophobicContact CD2-CB 4.39Å; Y186-F203 HydrophobicContact CE2-CB 3.7Å; Y186-F203 HydrophobicContact CE2-CD2 4.27Å; Y186-F203 HydrophobicContact CE2-CG 4.08Å |
| 187 | K | 89.2 | Confident | 86.6 | Confident | 59 Ų | 59 | 47.2 Ų | 47.2 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | trans | -62.7 | 116.2 | 177 | -172 | -172.9 | 177.8 | -172.8 | 0 | 109.3 | Q176 E189 H190 V191 D196 L200 | Q176-K187 HydrophobicContact CG-CB 4.09Å; Q176-K187 HydrophobicContact CG-CG 4.34Å; K187-E189 VanDerWaalsContact CE-O 3.24Å; K187-E189 WeakPolarHBondContact CE-O 3.41Å; K187-E189 WeakPolarHBondContact CG-O 3.32Å; K187-H190 VanDerWaalsContact CE-O 3.28Å; K187-H190 WeakPolarHBondContact CE-O 3.35Å; K187-H190 PolarHBondContact NZ-O 2.98Å; K187-V191 WeakPolarHBondContact O-CG2 3.3Å; K187-D196 WeakPolarHBondContact CD-OD2 3.32Å; K187-D196 IonicContact NZ-OD2 2.96Å; K187-L200 WeakPolarHBondContact O-CD1 3.42Å | ||
| 188 | T | 85.2 | Confident | 86.7 | Confident | 15 Ų | 15 | 48.9 Ų | 48.9 | 9% | 0.092 | 22% | 0.221 | C | C | . | . | trans | -105.8 | -18.4 | -179.9 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | Q178 Y186 L200 M266 I269 | Q178-T188 PolarHBondContact OE1-OG1 3.47Å; Y186-T188 PolarHBondContact O-N 3.29Å; Y186-T188 VanDerWaalsContact O-N 3.13Å; T188-L200 HydrophobicContact CG2-CD2 4.21Å; T188-M266 HydrophobicContact CG2-CE 4.33Å; T188-M266 HydrophobicContact CG2-SD 3.97Å; T188-I269 HydrophobicContact CG2-CD1 4.37Å; T188-I269 VanDerWaalsContact O-CG2 3.31Å; T188-I269 WeakPolarHBondContact O-CG2 3.21Å | ||
| 189 | E | 79.8 | Confident | 86.9 | Confident | 80 Ų | 80 | 48.8 Ų | 48.8 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -101.3 | 137.9 | 179.3 | -64 | -174.8 | 177.2 | 0 | 0 | 110.9 | A179 K187 V191 | A179-E189 WeakPolarHBondContact CB-OE1 3.2Å; K187-E189 VanDerWaalsContact CE-O 3.24Å; K187-E189 WeakPolarHBondContact CE-O 3.41Å; K187-E189 WeakPolarHBondContact CG-O 3.32Å; E189-V191 PolarHBondContact O-N 3.1Å |
| 190 | H | 74.8 | Confident | 87.4 | Confident | 152 Ų | 152 | 48 Ų | 48 | 70% | 0.704 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 49.3 | 56.4 | 176.7 | -54 | 87.3 | 0 | 0 | 0 | 112.1 | K187 E192 | K187-H190 VanDerWaalsContact CE-O 3.28Å; K187-H190 WeakPolarHBondContact CE-O 3.35Å; K187-H190 PolarHBondContact NZ-O 2.98Å; H190-E192 VanDerWaalsContact C-N 3.32Å; H190-E192 PolarHBondContact O-N 3.24Å |
| 191 | V | 79.8 | Confident | 88.1 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 9% | 0.085 | 23% | 0.225 | C | C | . | . | trans | -80.2 | 78 | -176.9 | -167.7 | 0 | 0 | 0 | 0 | 110.1 | K187 E189 D196 R197 L200 I269 | K187-V191 WeakPolarHBondContact O-CG2 3.3Å; E189-V191 PolarHBondContact O-N 3.1Å; V191-D196 HydrophobicContact CG1-CB 3.71Å; V191-R197 HydrophobicContact CG1-CB 4.45Å; V191-R197 HydrophobicContact CG1-CG 3.47Å; V191-R197 VanDerWaalsContact CG1-CG 3.47Å; V191-R197 PolarHBondContact O-NE 3.31Å; V191-R197 VanDerWaalsContact O-NE 3.11Å; V191-R197 PolarHBondContact O-NH2 3.02Å; V191-L200 HydrophobicContact CG2-CD1 4.22Å; V191-I269 HydrophobicContact CG2-CG2 4.1Å | ||
| 192 | E | 76.2 | Confident | 88.5 | Confident | 151 Ų | 151 | 47.8 Ų | 47.8 | 71% | 0.706 | 22% | 0.219 | S | C | * | . | trans | -83.4 | -35.7 | 178.6 | -64.1 | -178.2 | 170.7 | 0 | 0 | 112.1 | H190 R197 | H190-E192 VanDerWaalsContact C-N 3.32Å; H190-E192 PolarHBondContact O-N 3.24Å; E192-R197 PolarHBondContact O-NH2 2.82Å | ||
| 193 | D | 85.8 | Confident | 89.1 | Confident | 68 Ų | 68 | 47.4 Ų | 47.4 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -78.8 | 137.5 | -176.3 | -70.1 | -36.9 | 0 | 0 | 0 | 112.8 | E195 D196 R197 | D193-E195 VanDerWaalsContact C-N 3.3Å; D193-E195 PolarHBondContact O-N 3.05Å; D193-D196 HydrophobicContact CB-CB 4.5Å; D193-D196 PolarHBondContact O-N 3.38Å; D193-R197 PolarHBondContact O-N 3.2Å |
| 194 | W | 87.4 | Confident | 89.4 | Confident | 174 Ų | 174 | 47.1 Ų | 47.1 | 66% | 0.659 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -64.5 | -32.1 | 178.8 | 76.2 | -91.7 | 0 | 0 | 0 | 113.1 | R197 F198 | W194-R197 PolarHBondContact O-N 3.05Å; W194-F198 HydrophobicContact CE3-CB 4.33Å; W194-F198 HydrophobicContact CZ3-CB 4.36Å; W194-F198 WeakPolarHBondContact O-CB 3.41Å; W194-F198 PolarHBondContact O-N 2.78Å |
| 195 | E | 89.4 | Confident | 89.6 | Confident | 17 Ų | 17 | 50.6 Ų | 50.6 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.4 | -40 | 179.1 | -68.4 | -171 | 152.1 | 0 | 0 | 111.3 | R171 R173 D193 R197 F198 Y199 | R171-E195 IonicContact CZ-OE1 3.84Å; R171-E195 IonicContact NE-OE1 3.78Å; R171-E195 IonicContact NH2-OE1 2.9Å; R171-E195 PolarHBondContact NH2-OE1 2.88Å; R173-E195 IonicContact CZ-OE2 3.91Å; R173-E195 VanDerWaalsContact CZ-OE2 3.26Å; R173-E195 IonicContact NE-OE2 2.86Å; R173-E195 PolarHBondContact NE-OE2 3.12Å; R173-E195 IonicContact NH2-OE2 3.45Å; R173-E195 PolarHBondContact NH2-OE2 2.88Å; D193-E195 VanDerWaalsContact C-N 3.3Å; D193-E195 PolarHBondContact O-N 3.05Å; E195-R197 VanDerWaalsContact C-N 3.32Å; E195-R197 PolarHBondContact O-N 3.28Å; E195-F198 WeakPolarHBondContact O-CB 3.29Å; E195-F198 PolarHBondContact O-N 3.45Å; E195-Y199 HydrophobicContact CB-CE2 4.22Å; E195-Y199 WeakPolarHBondContact O-CD2 3.3Å; E195-Y199 WeakPolarHBondContact O-CE2 3.37Å; E195-Y199 PolarHBondContact O-N 3.3Å |
| 196 | D | 88.8 | Confident | 89.7 | Confident | 18 Ų | 18 | 52 Ų | 52 | 10% | 0.096 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | 177.2 | -70 | -25.1 | 0 | 0 | 0 | 110.9 | K187 V191 D193 L200 | K187-D196 WeakPolarHBondContact CD-OD2 3.32Å; K187-D196 IonicContact NZ-OD2 2.96Å; V191-D196 HydrophobicContact CG1-CB 3.71Å; D193-D196 HydrophobicContact CB-CB 4.5Å; D193-D196 PolarHBondContact O-N 3.38Å; D196-L200 PolarHBondContact O-N 3.25Å |
| 197 | R | 90.8 | Very high | 90 | Very high | 43 Ų | 43 | 51.6 Ų | 51.6 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 171.7 | -61.6 | -178.9 | -169.8 | 167 | 9.4 | 111.2 | V191 E192 D193 W194 E195 Y199 L200 L201 E273 | V191-R197 HydrophobicContact CG1-CB 4.45Å; V191-R197 HydrophobicContact CG1-CG 3.47Å; V191-R197 VanDerWaalsContact CG1-CG 3.47Å; V191-R197 PolarHBondContact O-NE 3.31Å; V191-R197 VanDerWaalsContact O-NE 3.11Å; V191-R197 PolarHBondContact O-NH2 3.02Å; E192-R197 PolarHBondContact O-NH2 2.82Å; D193-R197 PolarHBondContact O-N 3.2Å; W194-R197 PolarHBondContact O-N 3.05Å; E195-R197 VanDerWaalsContact C-N 3.32Å; E195-R197 PolarHBondContact O-N 3.28Å; R197-Y199 VanDerWaalsContact C-N 3.32Å; R197-Y199 PolarHBondContact O-N 2.87Å; R197-L200 PolarHBondContact O-N 3.4Å; R197-L201 WeakPolarHBondContact O-CB 3.24Å; R197-L201 VanDerWaalsContact O-CG 3.23Å; R197-L201 WeakPolarHBondContact O-CG 3.38Å; R197-L201 PolarHBondContact O-N 2.91Å; R197-E273 IonicContact CZ-OE1 2.78Å; R197-E273 VanDerWaalsContact CZ-OE1 3.28Å; R197-E273 IonicContact NH1-OE1 2.71Å; R197-E273 PolarHBondContact NH1-OE1 2.91Å; R197-E273 IonicContact NH1-OE2 3.28Å; R197-E273 IonicContact NH2-OE1 3.26Å; R197-E273 PolarHBondContact NH2-OE1 3Å |
| 198 | F | 93.3 | Very high | 90.4 | Very high | 91 Ų | 91 | 51.4 Ų | 51.4 | 40% | 0.399 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.6 | -45.6 | -179.7 | 172.5 | -99.3 | 0 | 0 | 0 | 111.6 | L167 W194 E195 L201 L202 | L167-F198 HydrophobicContact CD2-CE1 4.19Å; W194-F198 HydrophobicContact CE3-CB 4.33Å; W194-F198 HydrophobicContact CZ3-CB 4.36Å; W194-F198 WeakPolarHBondContact O-CB 3.41Å; W194-F198 PolarHBondContact O-N 2.78Å; E195-F198 WeakPolarHBondContact O-CB 3.29Å; E195-F198 PolarHBondContact O-N 3.45Å; F198-L201 PolarHBondContact O-N 3.44Å; F198-L202 HydrophobicContact CE1-CD2 3.93Å; F198-L202 HydrophobicContact CZ-CD2 4.08Å; F198-L202 WeakPolarHBondContact O-CB 3.28Å; F198-L202 PolarHBondContact O-N 3.48Å |
| 199 | Y | 94.1 | Very high | 91 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.2 | -40.2 | 179.6 | -62 | -56.8 | 0 | 0 | 0 | 113.4 | L167 P168 R171 R173 Y186 E195 R197 L202 F203 | L167-Y199 HydrophobicContact CB-CE1 4.29Å; L167-Y199 HydrophobicContact CD2-CD1 4.31Å; L167-Y199 HydrophobicContact CD2-CE1 3.82Å; L167-Y199 HydrophobicContact CG-CE1 3.85Å; P168-Y199 HydrophobicContact CB-CD2 4.42Å; P168-Y199 HydrophobicContact CB-CE2 4.24Å; P168-Y199 HydrophobicContact CG-CD1 4.17Å; P168-Y199 HydrophobicContact CG-CE1 4.31Å; P168-Y199 HydrophobicContact CG-CG 4.3Å; R171-Y199 WeakPolarHBondContact CB-OH 3.37Å; R171-Y199 WeakPolarHBondContact CG-OH 3.4Å; R173-Y199 HydrophobicContact CB-CE2 4.43Å; R173-Y199 HydrophobicContact CG-CE2 4.24Å; Y186-Y199 HydrophobicContact CE1-CG 4.31Å; E195-Y199 HydrophobicContact CB-CE2 4.22Å; E195-Y199 WeakPolarHBondContact O-CD2 3.3Å; E195-Y199 WeakPolarHBondContact O-CE2 3.37Å; E195-Y199 PolarHBondContact O-N 3.3Å; R197-Y199 VanDerWaalsContact C-N 3.32Å; R197-Y199 PolarHBondContact O-N 2.87Å; Y199-L202 PolarHBondContact O-N 3.06Å; Y199-F203 WeakPolarHBondContact O-CB 3.34Å; Y199-F203 PolarHBondContact O-N 3.46Å |
| 200 | L | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 174 | -78 | 172.9 | 0 | 0 | 0 | 112 | F185 Y186 K187 T188 V191 D196 R197 S204 M266 I269 | F185-L200 HydrophobicContact CE1-CD2 4.23Å; Y186-L200 HydrophobicContact CD2-CD2 4.21Å; Y186-L200 HydrophobicContact CG-CD2 4.38Å; K187-L200 WeakPolarHBondContact O-CD1 3.42Å; T188-L200 HydrophobicContact CG2-CD2 4.21Å; V191-L200 HydrophobicContact CG2-CD1 4.22Å; D196-L200 PolarHBondContact O-N 3.25Å; R197-L200 PolarHBondContact O-N 3.4Å; L200-S204 WeakPolarHBondContact O-CB 3.28Å; L200-S204 PolarHBondContact O-N 3.45Å; L200-S204 PolarHBondContact O-OG 2.72Å; L200-M266 HydrophobicContact CD2-SD 3.87Å; L200-I269 HydrophobicContact CD1-CG2 3.8Å |
| 201 | L | 95.2 | Very high | 92.9 | Very high | 51 Ų | 51 | 45.2 Ų | 45.2 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.6 | -42.5 | 177.7 | -68 | 176 | 0 | 0 | 0 | 111.3 | R197 F198 F203 S204 C205 I271 | R197-L201 WeakPolarHBondContact O-CB 3.24Å; R197-L201 VanDerWaalsContact O-CG 3.23Å; R197-L201 WeakPolarHBondContact O-CG 3.38Å; R197-L201 PolarHBondContact O-N 2.91Å; F198-L201 PolarHBondContact O-N 3.44Å; L201-F203 PolarHBondContact O-N 2.96Å; L201-S204 WeakPolarHBondContact CA-OG 3.16Å; L201-S204 PolarHBondContact O-N 2.99Å; L201-S204 PolarHBondContact O-OG 3.29Å; L201-C205 WeakPolarHBondContact O-CB 3.36Å; L201-C205 PolarHBondContact O-N 2.94Å; L201-C205 PolarHBondContact O-SG 3.44Å; L201-I271 HydrophobicContact CD2-CG1 3.78Å |
| 202 | L | 96.8 | Very high | 93.8 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 19% | 0.194 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.1 | -50 | 176.9 | -178.3 | 63.3 | 0 | 0 | 0 | 110.9 | I164 L167 F198 Y199 L206 | I164-L202 HydrophobicContact CD1-CD2 3.97Å; I164-L202 HydrophobicContact CD1-CG 4.37Å; I164-L202 HydrophobicContact CG2-CD2 4.24Å; I164-L202 HydrophobicContact CG2-CG 4.45Å; L167-L202 HydrophobicContact CD2-CD2 3.8Å; F198-L202 HydrophobicContact CE1-CD2 3.93Å; F198-L202 HydrophobicContact CZ-CD2 4.08Å; F198-L202 WeakPolarHBondContact O-CB 3.28Å; F198-L202 PolarHBondContact O-N 3.48Å; Y199-L202 PolarHBondContact O-N 3.06Å; L202-L206 HydrophobicContact CD1-CD1 3.74Å; L202-L206 HydrophobicContact CD1-CG 4.15Å; L202-L206 HydrophobicContact CG-CD1 3.98Å; L202-L206 VanDerWaalsContact O-CB 3.22Å; L202-L206 WeakPolarHBondContact O-CB 3.49Å; L202-L206 WeakPolarHBondContact O-CD1 3.22Å; L202-L206 WeakPolarHBondContact O-CG 3.27Å; L202-L206 PolarHBondContact O-N 2.85Å |
| 203 | F | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.1 | -51 | 176.7 | 173.2 | -91.8 | 0 | 0 | 0 | 112.3 | V114 L118 F185 Y186 Y199 L201 G207 F262 L263 | V114-F203 HydrophobicContact CG1-CD2 4.08Å; V114-F203 HydrophobicContact CG1-CE2 4.46Å; L118-F203 HydrophobicContact CD1-CD2 3.78Å; L118-F203 HydrophobicContact CD1-CE2 4.32Å; L118-F203 HydrophobicContact CD2-CD2 3.78Å; L118-F203 HydrophobicContact CD2-CE2 3.88Å; L118-F203 HydrophobicContact CD2-CG 4.44Å; L118-F203 HydrophobicContact CG-CD2 3.61Å; L118-F203 HydrophobicContact CG-CE2 3.66Å; F185-F203 HydrophobicContact CE2-CE2 4.3Å; F185-F203 HydrophobicContact CE2-CZ 4.34Å; F185-F203 AromaticContact CZ-CD1 3.84Å; F185-F203 HydrophobicContact CZ-CD1 3.84Å; F185-F203 HydrophobicContact CZ-CD2 4.16Å; F185-F203 AromaticContact CZ-CE1 3.78Å; F185-F203 HydrophobicContact CZ-CE1 3.78Å; F185-F203 HydrophobicContact CZ-CE2 4.09Å; F185-F203 HydrophobicContact CZ-CG 4.05Å; F185-F203 AromaticContact CZ-CZ 3.92Å; F185-F203 HydrophobicContact CZ-CZ 3.92Å; Y186-F203 HydrophobicContact CD2-CB 4.39Å; Y186-F203 HydrophobicContact CE2-CB 3.7Å; Y186-F203 HydrophobicContact CE2-CD2 4.27Å; Y186-F203 HydrophobicContact CE2-CG 4.08Å; Y199-F203 WeakPolarHBondContact O-CB 3.34Å; Y199-F203 PolarHBondContact O-N 3.46Å; L201-F203 PolarHBondContact O-N 2.96Å; F203-G207 PolarHBondContact O-N 2.85Å; F203-F262 HydrophobicContact CE1-CD1 4.03Å; F203-F262 AromaticContact CE1-CE1 3.6Å; F203-F262 HydrophobicContact CE1-CE1 3.6Å; F203-F262 HydrophobicContact CZ-CD1 4.31Å; F203-F262 AromaticContact CZ-CE1 3.75Å; F203-F262 HydrophobicContact CZ-CE1 3.75Å; F203-L263 HydrophobicContact CD1-CD2 4.22Å; F203-L263 HydrophobicContact CE1-CD2 3.73Å; F203-L263 HydrophobicContact CZ-CD2 4.32Å |
| 204 | S | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.8 | -43.5 | -175.7 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | L200 L201 G207 L208 L263 A267 | L200-S204 WeakPolarHBondContact O-CB 3.28Å; L200-S204 PolarHBondContact O-N 3.45Å; L200-S204 PolarHBondContact O-OG 2.72Å; L201-S204 WeakPolarHBondContact CA-OG 3.16Å; L201-S204 PolarHBondContact O-N 2.99Å; L201-S204 PolarHBondContact O-OG 3.29Å; S204-G207 PolarHBondContact O-N 2.91Å; S204-L208 WeakPolarHBondContact O-CB 3.38Å; S204-L208 WeakPolarHBondContact O-CG 3.07Å; S204-L208 PolarHBondContact O-N 3.39Å; S204-L263 VanDerWaalsContact CB-O 3.28Å; S204-L263 WeakPolarHBondContact CB-O 3.48Å; S204-A267 WeakPolarHBondContact OG-CA 3.41Å |
| 205 | C | 97.9 | Very high | 95.5 | Very high | 72 Ų | 72 | 35.9 Ų | 35.9 | 49% | 0.486 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.5 | -44 | 176.9 | -69.6 | 0 | 0 | 0 | 0 | 111.9 | L201 L208 L209 | L201-C205 WeakPolarHBondContact O-CB 3.36Å; L201-C205 PolarHBondContact O-N 2.94Å; L201-C205 PolarHBondContact O-SG 3.44Å; C205-L208 PolarHBondContact O-N 2.76Å; C205-L209 WeakPolarHBondContact O-CB 3.31Å; C205-L209 PolarHBondContact O-N 3.24Å |
| 206 | L | 98.4 | Very high | 95.9 | Very high | 32 Ų | 32 | 40.3 Ų | 40.3 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -43 | 176.4 | -73.8 | 174.9 | 0 | 0 | 0 | 111.6 | L118 F122 F160 I164 L202 L209 A210 | L118-L206 HydrophobicContact CD2-CB 4.38Å; F122-L206 HydrophobicContact CE1-CB 4.13Å; F122-L206 HydrophobicContact CZ-CB 3.93Å; F122-L206 HydrophobicContact CZ-CD1 4.29Å; F122-L206 HydrophobicContact CZ-CG 4.5Å; F160-L206 HydrophobicContact CE1-CD1 4.26Å; F160-L206 HydrophobicContact CE1-CD2 4.32Å; F160-L206 HydrophobicContact CZ-CD1 4.19Å; F160-L206 HydrophobicContact CZ-CD2 4.27Å; I164-L206 HydrophobicContact CD1-CD1 3.92Å; I164-L206 HydrophobicContact CG1-CD1 4.04Å; I164-L206 HydrophobicContact CG2-CD1 4.42Å; L202-L206 HydrophobicContact CD1-CD1 3.74Å; L202-L206 HydrophobicContact CD1-CG 4.15Å; L202-L206 HydrophobicContact CG-CD1 3.98Å; L202-L206 VanDerWaalsContact O-CB 3.22Å; L202-L206 WeakPolarHBondContact O-CB 3.49Å; L202-L206 WeakPolarHBondContact O-CD1 3.22Å; L202-L206 WeakPolarHBondContact O-CG 3.27Å; L202-L206 PolarHBondContact O-N 2.85Å; L206-L209 PolarHBondContact O-N 3.2Å; L206-A210 WeakPolarHBondContact O-CB 3.37Å; L206-A210 PolarHBondContact O-N 3.13Å |
| 207 | G | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.3 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F203 S204 L209 A210 L211 | F203-G207 PolarHBondContact O-N 2.85Å; S204-G207 PolarHBondContact O-N 2.91Å; G207-L209 PolarHBondContact O-N 3.49Å; G207-A210 PolarHBondContact O-N 3Å; G207-L211 WeakPolarHBondContact O-CG 3.39Å; G207-L211 PolarHBondContact O-N 3.09Å |
| 208 | L | 98.1 | Very high | 96.1 | Very high | 56 Ų | 56 | 38.5 Ų | 38.5 | 29% | 0.293 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.4 | -40 | 177.4 | -73.8 | 169.3 | 0 | 0 | 0 | 111.6 | S204 C205 L211 A212 L263 V264 | S204-L208 WeakPolarHBondContact O-CB 3.38Å; S204-L208 WeakPolarHBondContact O-CG 3.07Å; S204-L208 PolarHBondContact O-N 3.39Å; C205-L208 PolarHBondContact O-N 2.76Å; L208-L211 PolarHBondContact O-N 3.15Å; L208-A212 VanDerWaalsContact O-CB 3.31Å; L208-A212 WeakPolarHBondContact O-CB 3.32Å; L208-A212 PolarHBondContact O-N 3Å; L208-L263 HydrophobicContact CD2-CB 3.87Å; L208-L263 HydrophobicContact CD2-CD1 4.27Å; L208-L263 HydrophobicContact CG-CB 3.89Å; L208-L263 HydrophobicContact CG-CD1 4.38Å; L208-V264 HydrophobicContact CD2-CG2 4.25Å |
| 209 | L | 98.2 | Very high | 96.1 | Very high | 100 Ų | 100 | 35.3 Ų | 35.3 | 52% | 0.524 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 175.3 | 179.9 | 62.1 | 0 | 0 | 0 | 111 | C205 L206 G207 L211 A212 I213 | C205-L209 WeakPolarHBondContact O-CB 3.31Å; C205-L209 PolarHBondContact O-N 3.24Å; L206-L209 PolarHBondContact O-N 3.2Å; G207-L209 PolarHBondContact O-N 3.49Å; L209-L211 PolarHBondContact O-N 3.19Å; L209-A212 PolarHBondContact O-N 3.41Å; L209-I213 HydrophobicContact CD1-CD1 4.05Å; L209-I213 HydrophobicContact CD1-CG1 4.29Å; L209-I213 HydrophobicContact CG-CD1 3.92Å; L209-I213 WeakPolarHBondContact O-CB 3.31Å; L209-I213 VanDerWaalsContact O-CG1 3.27Å; L209-I213 WeakPolarHBondContact O-CG1 3.22Å; L209-I213 PolarHBondContact O-N 2.8Å |
| 210 | A | 97.9 | Very high | 96 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L121 F122 S125 L206 G207 S214 | L121-A210 HydrophobicContact CB-CB 4.18Å; F122-A210 HydrophobicContact CD1-CB 3.79Å; F122-A210 HydrophobicContact CE1-CB 4.14Å; S125-A210 WeakPolarHBondContact CB-O 3.47Å; L206-A210 WeakPolarHBondContact O-CB 3.37Å; L206-A210 PolarHBondContact O-N 3.13Å; G207-A210 PolarHBondContact O-N 3Å; A210-S214 WeakPolarHBondContact O-CB 3.33Å; A210-S214 PolarHBondContact O-N 3.2Å |
| 211 | L | 96.7 | Very high | 95.7 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 7% | 0.068 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 173.5 | -76.4 | -180 | 0 | 0 | 0 | 112.3 | L121 G207 L208 L209 S214 F215 W259 L263 | L121-L211 HydrophobicContact CD2-CD2 3.56Å; L121-L211 HydrophobicContact CD2-CG 3.81Å; G207-L211 WeakPolarHBondContact O-CG 3.39Å; G207-L211 PolarHBondContact O-N 3.09Å; L208-L211 PolarHBondContact O-N 3.15Å; L209-L211 PolarHBondContact O-N 3.19Å; L211-S214 WeakPolarHBondContact O-CB 3.4Å; L211-S214 PolarHBondContact O-N 2.75Å; L211-F215 WeakPolarHBondContact O-CB 3.46Å; L211-F215 PolarHBondContact O-N 3.32Å; L211-W259 HydrophobicContact CD1-CB 3.67Å; L211-W259 HydrophobicContact CD2-CB 4.09Å; L211-W259 HydrophobicContact CD2-CG 4.42Å; L211-W259 HydrophobicContact CG-CB 4.35Å; L211-L263 HydrophobicContact CD1-CD1 3.44Å; L211-L263 VanDerWaalsContact CD1-CD1 3.44Å; L211-L263 HydrophobicContact CG-CD1 4.19Å |
| 212 | A | 97.6 | Very high | 95.3 | Very high | 46 Ų | 46 | 36.3 Ų | 36.3 | 38% | 0.38 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.9 | -45.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L208 L209 S214 F215 L216 | L208-A212 VanDerWaalsContact O-CB 3.31Å; L208-A212 WeakPolarHBondContact O-CB 3.32Å; L208-A212 PolarHBondContact O-N 3Å; L209-A212 PolarHBondContact O-N 3.41Å; A212-S214 VanDerWaalsContact C-N 3.33Å; A212-S214 PolarHBondContact O-N 3.05Å; A212-F215 PolarHBondContact O-N 2.76Å; A212-L216 WeakPolarHBondContact O-CB 3.12Å; A212-L216 VanDerWaalsContact O-CG 3.25Å; A212-L216 WeakPolarHBondContact O-CG 3.31Å; A212-L216 PolarHBondContact O-N 3.03Å |
| 213 | I | 96.9 | Very high | 94.9 | Very high | 64 Ų | 64 | 38.4 Ų | 38.4 | 33% | 0.328 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.8 | -47.1 | 174.7 | -69.1 | 166.9 | 0 | 0 | 0 | 110.3 | V129 L209 L216 C217 | V129-I213 HydrophobicContact CG2-CG2 3.82Å; L209-I213 HydrophobicContact CD1-CD1 4.05Å; L209-I213 HydrophobicContact CD1-CG1 4.29Å; L209-I213 HydrophobicContact CG-CD1 3.92Å; L209-I213 WeakPolarHBondContact O-CB 3.31Å; L209-I213 VanDerWaalsContact O-CG1 3.27Å; L209-I213 WeakPolarHBondContact O-CG1 3.22Å; L209-I213 PolarHBondContact O-N 2.8Å; I213-L216 PolarHBondContact O-N 3.19Å; I213-C217 VanDerWaalsContact O-CB 3.3Å; I213-C217 WeakPolarHBondContact O-CB 3.42Å; I213-C217 PolarHBondContact O-N 3.27Å; I213-C217 PolarHBondContact O-SG 2.81Å |
| 214 | S | 94.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 177.7 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | A210 L211 A212 C217 N218 | A210-S214 WeakPolarHBondContact O-CB 3.33Å; A210-S214 PolarHBondContact O-N 3.2Å; L211-S214 WeakPolarHBondContact O-CB 3.4Å; L211-S214 PolarHBondContact O-N 2.75Å; A212-S214 VanDerWaalsContact C-N 3.33Å; A212-S214 PolarHBondContact O-N 3.05Å; S214-C217 PolarHBondContact O-N 2.81Å; S214-N218 VanDerWaalsContact O-CB 3.3Å; S214-N218 WeakPolarHBondContact O-CB 3.48Å; S214-N218 VanDerWaalsContact O-CG 3.26Å; S214-N218 PolarHBondContact O-N 3.41Å; S214-N218 PolarHBondContact O-ND2 3.33Å; S214-N218 PolarHBondContact OG-ND2 2.77Å |
| 215 | F | 94.9 | Very high | 93.6 | Very high | 93 Ų | 93 | 40.9 Ų | 40.9 | 41% | 0.408 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.6 | -51.2 | 178.5 | 179.3 | -90 | 0 | 0 | 0 | 111.7 | L211 A212 C217 N218 A219 M252 | L211-F215 WeakPolarHBondContact O-CB 3.46Å; L211-F215 PolarHBondContact O-N 3.32Å; A212-F215 PolarHBondContact O-N 2.76Å; F215-C217 PolarHBondContact O-N 3.29Å; F215-N218 PolarHBondContact O-N 3.14Å; F215-A219 VanDerWaalsContact O-CB 3.26Å; F215-A219 WeakPolarHBondContact O-CB 3.29Å; F215-A219 PolarHBondContact O-N 3.41Å; F215-M252 HydrophobicContact CD2-CB 4.31Å; F215-M252 HydrophobicContact CD2-CE 3.55Å; F215-M252 HydrophobicContact CD2-CG 4.38Å; F215-M252 HydrophobicContact CE1-CE 4.44Å; F215-M252 HydrophobicContact CE2-CE 3.3Å; F215-M252 HydrophobicContact CG-CE 4.23Å; F215-M252 HydrophobicContact CZ-CE 3.79Å |
| 216 | L | 96.2 | Very high | 93 | Very high | 109 Ų | 109 | 40.4 Ų | 40.4 | 57% | 0.571 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -61.5 | -45 | 179.8 | -69.2 | 172.7 | 0 | 0 | 0 | 111.4 | A212 I213 A219 V220 | A212-L216 WeakPolarHBondContact O-CB 3.12Å; A212-L216 VanDerWaalsContact O-CG 3.25Å; A212-L216 WeakPolarHBondContact O-CG 3.31Å; A212-L216 PolarHBondContact O-N 3.03Å; I213-L216 PolarHBondContact O-N 3.19Å; L216-A219 PolarHBondContact O-N 3.18Å; L216-V220 VanDerWaalsContact O-CG2 3.31Å; L216-V220 WeakPolarHBondContact O-CG2 3.42Å; L216-V220 PolarHBondContact O-N 2.96Å |
| 217 | C | 93.5 | Very high | 92.3 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -44 | 179 | -71.2 | 0 | 0 | 0 | 0 | 112.2 | A128 C132 I213 S214 F215 A219 V220 T221 | A128-C217 HydrophobicContact CB-CB 3.88Å; C132-C217 HydrophobicContact CB-CB 3.99Å; I213-C217 VanDerWaalsContact O-CB 3.3Å; I213-C217 WeakPolarHBondContact O-CB 3.42Å; I213-C217 PolarHBondContact O-N 3.27Å; I213-C217 PolarHBondContact O-SG 2.81Å; S214-C217 PolarHBondContact O-N 2.81Å; F215-C217 PolarHBondContact O-N 3.29Å; C217-A219 VanDerWaalsContact C-N 3.35Å; C217-V220 PolarHBondContact O-N 3.14Å; C217-T221 WeakPolarHBondContact O-CB 3.49Å; C217-T221 PolarHBondContact O-N 3.02Å; C217-T221 PolarHBondContact O-OG1 2.87Å |
| 218 | N | 91.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.8 | -37.1 | 177.1 | -72.2 | -36.8 | 0 | 0 | 0 | 111.4 | S214 F215 T221 G222 L248 M252 | S214-N218 VanDerWaalsContact O-CB 3.3Å; S214-N218 WeakPolarHBondContact O-CB 3.48Å; S214-N218 VanDerWaalsContact O-CG 3.26Å; S214-N218 PolarHBondContact O-N 3.41Å; S214-N218 PolarHBondContact O-ND2 3.33Å; S214-N218 PolarHBondContact OG-ND2 2.77Å; F215-N218 PolarHBondContact O-N 3.14Å; N218-T221 PolarHBondContact O-N 3.15Å; N218-G222 PolarHBondContact O-N 3.39Å; N218-L248 HydrophobicContact CB-CD2 4.41Å; N218-L248 WeakPolarHBondContact OD1-CD2 3.16Å; N218-M252 HydrophobicContact CB-CG 3.46Å; N218-M252 VanDerWaalsContact CB-CG 3.46Å; N218-M252 HydrophobicContact CB-SD 3.51Å; N218-M252 VanDerWaalsContact CB-SD 3.51Å |
| 219 | A | 92.1 | Very high | 90.2 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 21% | 0.207 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.7 | -47.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | F215 L216 C217 T221 G222 I223 M252 | F215-A219 VanDerWaalsContact O-CB 3.26Å; F215-A219 WeakPolarHBondContact O-CB 3.29Å; F215-A219 PolarHBondContact O-N 3.41Å; L216-A219 PolarHBondContact O-N 3.18Å; C217-A219 VanDerWaalsContact C-N 3.35Å; A219-T221 VanDerWaalsContact C-N 3.3Å; A219-T221 PolarHBondContact O-N 3.46Å; A219-G222 PolarHBondContact O-N 3Å; A219-I223 WeakPolarHBondContact O-CB 3.4Å; A219-I223 VanDerWaalsContact O-CG1 3.26Å; A219-I223 WeakPolarHBondContact O-CG1 3.48Å; A219-I223 PolarHBondContact O-N 3.25Å; A219-M252 HydrophobicContact CB-CE 4.06Å |
| 220 | V | 92.1 | Very high | 89.1 | Confident | 67 Ų | 67 | 53.4 Ų | 53.4 | 41% | 0.406 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59 | -43.7 | 175.3 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | T136 L216 C217 I223 T224 | T136-V220 HydrophobicContact CG2-CG1 4.24Å; L216-V220 VanDerWaalsContact O-CG2 3.31Å; L216-V220 WeakPolarHBondContact O-CG2 3.42Å; L216-V220 PolarHBondContact O-N 2.96Å; C217-V220 PolarHBondContact O-N 3.14Å; V220-I223 PolarHBondContact O-N 2.93Å; V220-T224 WeakPolarHBondContact O-CB 3.11Å; V220-T224 PolarHBondContact O-N 2.78Å; V220-T224 PolarHBondContact O-OG1 3.23Å |
| 221 | T | 87.8 | Confident | 87.9 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 176.5 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | C132 V135 C217 N218 A219 T224 L225 L248 | C132-T221 VanDerWaalsContact CA-OG1 3.28Å; C132-T221 WeakPolarHBondContact CA-OG1 3.4Å; V135-T221 HydrophobicContact CB-CG2 4.2Å; V135-T221 HydrophobicContact CG1-CG2 4.49Å; V135-T221 HydrophobicContact CG2-CG2 3.8Å; C217-T221 WeakPolarHBondContact O-CB 3.49Å; C217-T221 PolarHBondContact O-N 3.02Å; C217-T221 PolarHBondContact O-OG1 2.87Å; N218-T221 PolarHBondContact O-N 3.15Å; A219-T221 VanDerWaalsContact C-N 3.3Å; A219-T221 PolarHBondContact O-N 3.46Å; T221-T224 PolarHBondContact O-N 2.92Å; T221-L225 HydrophobicContact CG2-CD1 4.17Å; T221-L225 WeakPolarHBondContact O-CB 3.4Å; T221-L225 VanDerWaalsContact O-CG 3.29Å; T221-L225 WeakPolarHBondContact O-CG 3.36Å; T221-L225 PolarHBondContact O-N 3.3Å; T221-L248 HydrophobicContact CG2-CD1 3.56Å |
| 222 | G | 87 | Confident | 86.4 | Confident | 10 Ų | 10 | 65.1 Ų | 65.1 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | N218 A219 T224 L225 L226 | N218-G222 PolarHBondContact O-N 3.39Å; A219-G222 PolarHBondContact O-N 3Å; G222-T224 PolarHBondContact O-N 3.26Å; G222-L225 PolarHBondContact O-N 2.95Å; G222-L226 WeakPolarHBondContact O-CB 2.9Å; G222-L226 VanDerWaalsContact O-CG 3.3Å; G222-L226 WeakPolarHBondContact O-CG 3.09Å; G222-L226 PolarHBondContact O-N 3.43Å |
| 223 | I | 88.1 | Confident | 84.4 | Confident | 81 Ų | 81 | 71 Ų | 71 | 42% | 0.415 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 177.6 | -67.3 | 165.5 | 0 | 0 | 0 | 110.8 | A219 V220 L226 R227 | A219-I223 WeakPolarHBondContact O-CB 3.4Å; A219-I223 VanDerWaalsContact O-CG1 3.26Å; A219-I223 WeakPolarHBondContact O-CG1 3.48Å; A219-I223 PolarHBondContact O-N 3.25Å; V220-I223 PolarHBondContact O-N 2.93Å; I223-L226 PolarHBondContact O-N 2.91Å; I223-R227 HydrophobicContact CG2-CG 4.4Å; I223-R227 WeakPolarHBondContact O-CG 3.32Å; I223-R227 PolarHBondContact O-N 3.07Å |
| 224 | T | 86.3 | Confident | 82.2 | Confident | 38 Ų | 38 | 76.9 Ų | 76.9 | 23% | 0.233 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 111 | V135 V220 T221 G222 L226 R227 V228 | V135-T224 HydrophobicContact CG1-CG2 3.78Å; V220-T224 WeakPolarHBondContact O-CB 3.11Å; V220-T224 PolarHBondContact O-N 2.78Å; V220-T224 PolarHBondContact O-OG1 3.23Å; T221-T224 PolarHBondContact O-N 2.92Å; G222-T224 PolarHBondContact O-N 3.26Å; T224-L226 VanDerWaalsContact C-N 3.33Å; T224-L226 PolarHBondContact O-N 2.84Å; T224-R227 PolarHBondContact O-N 3.42Å; T224-V228 WeakPolarHBondContact O-CG2 3.38Å; T224-V228 PolarHBondContact O-N 3.47Å |
| 225 | L | 82.9 | Confident | 80.1 | Confident | 14 Ų | 14 | 87.2 Ų | 87.2 | 7% | 0.073 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.7 | -39 | 175.6 | -70.7 | 173 | 0 | 0 | 0 | 112.2 | V135 T221 G222 K229 M244 I245 L248 | V135-L225 HydrophobicContact CG1-CD2 4.32Å; V135-L225 HydrophobicContact CG1-CG 4.42Å; T221-L225 HydrophobicContact CG2-CD1 4.17Å; T221-L225 WeakPolarHBondContact O-CB 3.4Å; T221-L225 VanDerWaalsContact O-CG 3.29Å; T221-L225 WeakPolarHBondContact O-CG 3.36Å; T221-L225 PolarHBondContact O-N 3.3Å; G222-L225 PolarHBondContact O-N 2.95Å; L225-K229 WeakPolarHBondContact O-CB 3.35Å; L225-K229 PolarHBondContact O-N 3.35Å; L225-K229 VanDerWaalsContact O-N 3.09Å; L225-M244 HydrophobicContact CD1-CB 4.29Å; L225-M244 HydrophobicContact CD1-CE 4.36Å; L225-I245 HydrophobicContact CB-CD1 4.15Å; L225-I245 HydrophobicContact CB-CG1 3.98Å; L225-I245 HydrophobicContact CD1-CG1 4.37Å; L225-L248 HydrophobicContact CD1-CD1 4Å |
| 226 | L | 83.6 | Confident | 77.7 | Confident | 63 Ų | 63 | 92.8 Ų | 92.8 | 33% | 0.33 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 174.4 | -76.3 | 167.4 | 0 | 0 | 0 | 111.6 | G222 I223 T224 V228 K229 F230 I245 | G222-L226 WeakPolarHBondContact O-CB 2.9Å; G222-L226 VanDerWaalsContact O-CG 3.3Å; G222-L226 WeakPolarHBondContact O-CG 3.09Å; G222-L226 PolarHBondContact O-N 3.43Å; I223-L226 PolarHBondContact O-N 2.91Å; T224-L226 VanDerWaalsContact C-N 3.33Å; T224-L226 PolarHBondContact O-N 2.84Å; L226-V228 PolarHBondContact O-N 3.33Å; L226-K229 WeakPolarHBondContact O-CB 3.43Å; L226-K229 PolarHBondContact O-N 3.2Å; L226-F230 WeakPolarHBondContact O-CD2 3.47Å; L226-F230 PolarHBondContact O-N 3.31Å; L226-I245 HydrophobicContact CD2-CD1 3.64Å; L226-I245 HydrophobicContact CG-CD1 3.81Å; L226-I245 HydrophobicContact CG-CG1 4.48Å |
| 227 | R | 84.3 | Confident | 75.7 | Confident | 179 Ų | 179 | 89.8 Ų | 89.8 | 68% | 0.675 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -60.5 | -45.8 | 178.9 | -74.3 | 178 | -178.6 | 176.9 | 1 | 112.3 | I223 T224 K229 F230 K231 | I223-R227 HydrophobicContact CG2-CG 4.4Å; I223-R227 WeakPolarHBondContact O-CG 3.32Å; I223-R227 PolarHBondContact O-N 3.07Å; T224-R227 PolarHBondContact O-N 3.42Å; R227-K229 VanDerWaalsContact C-N 3.27Å; R227-K229 PolarHBondContact O-N 3.38Å; R227-F230 PolarHBondContact O-N 2.87Å; R227-K231 PolarHBondContact O-N 3Å |
| 228 | V | 79.1 | Confident | 73.6 | Confident | 80 Ų | 80 | 99.4 Ų | 99.4 | 49% | 0.485 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 176.6 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | T224 L226 K231 S232 | T224-V228 WeakPolarHBondContact O-CG2 3.38Å; T224-V228 PolarHBondContact O-N 3.47Å; L226-V228 PolarHBondContact O-N 3.33Å; V228-K231 PolarHBondContact O-N 2.86Å; V228-S232 WeakPolarHBondContact O-CB 3.18Å; V228-S232 PolarHBondContact O-N 3.46Å |
| 229 | K | 73.7 | Confident | 71.9 | Confident | 61 Ų | 61 | 102 Ų | 102 | 27% | 0.265 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 176.6 | 179.2 | -168.9 | 164.5 | -154.7 | 0 | 112.5 | L225 L226 R227 K231 S232 F242 | L225-K229 WeakPolarHBondContact O-CB 3.35Å; L225-K229 PolarHBondContact O-N 3.35Å; L225-K229 VanDerWaalsContact O-N 3.09Å; L226-K229 WeakPolarHBondContact O-CB 3.43Å; L226-K229 PolarHBondContact O-N 3.2Å; R227-K229 VanDerWaalsContact C-N 3.27Å; R227-K229 PolarHBondContact O-N 3.38Å; K229-K231 VanDerWaalsContact C-N 3.29Å; K229-K231 PolarHBondContact O-N 3.38Å; K229-S232 PolarHBondContact O-N 2.91Å; K229-F242 HydrophobicContact CD-CE2 4.42Å |
| 230 | F | 75.1 | Confident | 70.3 | Confident | 141 Ų | 141 | 106.3 Ų | 106.3 | 62% | 0.618 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.8 | -35.9 | 177.9 | -81.4 | -72.2 | 0 | 0 | 0 | 112.1 | L226 R227 S232 | L226-F230 WeakPolarHBondContact O-CD2 3.47Å; L226-F230 PolarHBondContact O-N 3.31Å; R227-F230 PolarHBondContact O-N 2.87Å; F230-S232 VanDerWaalsContact C-N 3.35Å |
| 231 | K | 72.6 | Confident | 69 | Low | 195 Ų | 195 | 106.8 Ų | 106.8 | 85% | 0.848 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -73.8 | -23.9 | 176.3 | -160.6 | 175 | -178.4 | 179.7 | 0 | 113.4 | R227 V228 K229 | R227-K231 PolarHBondContact O-N 3Å; V228-K231 PolarHBondContact O-N 2.86Å; K229-K231 VanDerWaalsContact C-N 3.29Å; K229-K231 PolarHBondContact O-N 3.38Å |
| 232 | S | 64.3 | Low | 68 | Low | 67 Ų | 67 | 111.1 Ų | 111.1 | 47% | 0.469 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 26.6 | -175 | -172.9 | 0 | 0 | 0 | 0 | 114.1 | V228 K229 F230 Q234 | V228-S232 WeakPolarHBondContact O-CB 3.18Å; V228-S232 PolarHBondContact O-N 3.46Å; K229-S232 PolarHBondContact O-N 2.91Å; F230-S232 VanDerWaalsContact C-N 3.35Å; S232-Q234 PolarHBondContact O-N 3.36Å |
| 233 | Q | 56.1 | Low | 67.1 | Low | 169 Ų | 169 | 112.1 Ų | 112.1 | 79% | 0.79 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -5.5 | 179.6 | -84 | -143.3 | -13.8 | 0 | 0 | 115.4 | ||
| 234 | Q | 50.8 | Low | 66.3 | Low | 189 Ų | 189 | 112.4 Ų | 112.4 | 88% | 0.883 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -8.2 | -176.8 | -97.3 | 163.2 | -31.1 | 0 | 0 | 117.3 | S232 | S232-Q234 PolarHBondContact O-N 3.36Š|
| 235 | R | 50.3 | Low | 65.9 | Low | 225 Ų | 225 | 111.8 Ų | 111.8 | 85% | 0.849 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -140.6 | 121.7 | 179.2 | -78.8 | -175 | 170.1 | 153.3 | -4.1 | 114.9 | G237 | R235-G237 PolarHBondContact O-N 2.92Š|
| 236 | Q | 45.2 | Very low | 65.7 | Low | 209 Ų | 209 | 115.7 Ų | 115.7 | 98% | 0.977 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -15.3 | 98.1 | 166.5 | -146.3 | 93.9 | -22.1 | 0 | 0 | 116.1 | ||
| 237 | G | 53.2 | Low | 65.6 | Low | 47 Ų | 47 | 113.4 Ų | 113.4 | 49% | 0.485 | 53% | 0.531 | S | S | . | . | trans | -168.7 | 35.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R235 S239 | R235-G237 PolarHBondContact O-N 2.92Å; G237-S239 PolarHBondContact O-N 2.81Å | ||
| 238 | R | 50.1 | Low | 65.5 | Low | 224 Ų | 224 | 105.3 Ų | 105.3 | 85% | 0.845 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -14.7 | -154.7 | -168.5 | 163.1 | 151.4 | 159.7 | -7.9 | 116.8 | F242 | R238-F242 WeakPolarHBondContact O-CD2 3.15Š|
| 239 | S | 56.4 | Low | 65.8 | Low | 56 Ų | 56 | 106.7 Ų | 106.7 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -30.2 | -168 | 176.4 | 0 | 0 | 0 | 0 | 116 | G237 K306 | G237-S239 PolarHBondContact O-N 2.81Å; S239-K306 PolarHBondContact OG-NZ 3.23Å |
| 240 | H | 57.5 | Low | 66.4 | Low | 114 Ų | 114 | 105.1 Ų | 105.1 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -81 | -33.1 | -172.4 | -75.1 | -73.9 | 0 | 0 | 0 | 113.6 | M244 | H240-M244 WeakPolarHBondContact O-CG 3.26Å; H240-M244 PolarHBondContact O-N 3.49Å |
| 241 | H | 64.4 | Low | 66.9 | Low | 77 Ų | 77 | 98.5 Ų | 98.5 | 36% | 0.356 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.7 | -36.1 | -178.9 | -71.7 | -84.9 | 0 | 0 | 0 | 113.3 | M244 I245 | H241-M244 PolarHBondContact O-N 3.34Å; H241-I245 WeakPolarHBondContact O-CD1 3.21Å; H241-I245 VanDerWaalsContact O-CG1 3.31Å; H241-I245 WeakPolarHBondContact O-CG1 3.47Å; H241-I245 PolarHBondContact O-N 3.29Å; H241-I245 VanDerWaalsContact O-N 3.15Å |
| 242 | F | 66.4 | Low | 67.6 | Low | 95 Ų | 95 | 90.6 Ų | 90.6 | 42% | 0.417 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 176.2 | -86.9 | -84.1 | 0 | 0 | 0 | 112.1 | K229 R238 M244 I245 I246 | K229-F242 HydrophobicContact CD-CE2 4.42Å; R238-F242 WeakPolarHBondContact O-CD2 3.15Å; F242-M244 VanDerWaalsContact C-N 3.33Å; F242-M244 PolarHBondContact O-N 3.26Å; F242-I245 PolarHBondContact O-N 3.07Å; F242-I246 VanDerWaalsContact O-CG1 3.29Å; F242-I246 WeakPolarHBondContact O-CG1 3.21Å; F242-I246 PolarHBondContact O-N 3.12Å |
| 243 | E | 67.9 | Low | 68.8 | Low | 30 Ų | 30 | 90.2 Ų | 90.2 | 14% | 0.14 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 179.1 | -169 | -178.4 | 179.4 | 0 | 0 | 111.3 | I245 I246 Q247 L304 R305 K306 | E243-I245 PolarHBondContact O-N 3.21Å; E243-I246 PolarHBondContact O-N 3Å; E243-Q247 WeakPolarHBondContact O-CB 3.46Å; E243-Q247 PolarHBondContact O-N 3.21Å; E243-L304 VanDerWaalsContact CG-O 3.28Å; E243-L304 WeakPolarHBondContact CG-O 3.3Å; E243-R305 VanDerWaalsContact OE1-C 3.23Å; E243-R305 WeakPolarHBondContact OE1-CA 3.47Å; E243-K306 VanDerWaalsContact OE1-CA 3.28Å; E243-K306 WeakPolarHBondContact OE1-CA 3.33Å; E243-K306 PolarHBondContact OE1-N 3.34Å; E243-K306 WeakPolarHBondContact OE2-CB 3.33Å |
| 244 | M | 72.5 | Confident | 70.6 | Confident | 87 Ų | 87 | 83.8 Ų | 83.8 | 43% | 0.429 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 175.9 | -67.2 | 176.7 | 68 | 0 | 0 | 112.9 | L225 H240 H241 F242 Q247 L248 | L225-M244 HydrophobicContact CD1-CB 4.29Å; L225-M244 HydrophobicContact CD1-CE 4.36Å; H240-M244 WeakPolarHBondContact O-CG 3.26Å; H240-M244 PolarHBondContact O-N 3.49Å; H241-M244 PolarHBondContact O-N 3.34Å; F242-M244 VanDerWaalsContact C-N 3.33Å; F242-M244 PolarHBondContact O-N 3.26Å; M244-Q247 WeakPolarHBondContact O-CB 3.07Å; M244-Q247 PolarHBondContact O-N 2.9Å; M244-L248 VanDerWaalsContact O-CG 3.3Å; M244-L248 WeakPolarHBondContact O-CG 3.2Å; M244-L248 PolarHBondContact O-N 2.96Å |
| 245 | I | 76.9 | Confident | 72.5 | Confident | 26 Ų | 26 | 75.2 Ų | 75.2 | 13% | 0.133 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.6 | -44.1 | 178.1 | -67.5 | 159.6 | 0 | 0 | 0 | 110.7 | L225 L226 H241 F242 E243 Q247 L248 L249 | L225-I245 HydrophobicContact CB-CD1 4.15Å; L225-I245 HydrophobicContact CB-CG1 3.98Å; L225-I245 HydrophobicContact CD1-CG1 4.37Å; L226-I245 HydrophobicContact CD2-CD1 3.64Å; L226-I245 HydrophobicContact CG-CD1 3.81Å; L226-I245 HydrophobicContact CG-CG1 4.48Å; H241-I245 WeakPolarHBondContact O-CD1 3.21Å; H241-I245 VanDerWaalsContact O-CG1 3.31Å; H241-I245 WeakPolarHBondContact O-CG1 3.47Å; H241-I245 PolarHBondContact O-N 3.29Å; H241-I245 VanDerWaalsContact O-N 3.15Å; F242-I245 PolarHBondContact O-N 3.07Å; E243-I245 PolarHBondContact O-N 3.21Å; I245-Q247 VanDerWaalsContact C-N 3.26Å; I245-Q247 PolarHBondContact O-N 3.46Å; I245-L248 PolarHBondContact O-N 3.49Å; I245-L249 WeakPolarHBondContact O-CB 3.37Å; I245-L249 PolarHBondContact O-N 3.36Å |
| 246 | I | 78.6 | Confident | 74.5 | Confident | 95 Ų | 95 | 66.2 Ų | 66.2 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 175.1 | -68 | 166.1 | 0 | 0 | 0 | 110 | F242 E243 L249 A250 L304 | F242-I246 VanDerWaalsContact O-CG1 3.29Å; F242-I246 WeakPolarHBondContact O-CG1 3.21Å; F242-I246 PolarHBondContact O-N 3.12Å; E243-I246 PolarHBondContact O-N 3Å; I246-L249 PolarHBondContact O-N 2.61Å; I246-A250 WeakPolarHBondContact O-CB 3.1Å; I246-A250 PolarHBondContact O-N 3.12Å; I246-L304 HydrophobicContact CG2-CD2 4.08Å |
| 247 | Q | 82.2 | Confident | 76.9 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 7% | 0.07 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.9 | -50.8 | 174.6 | -172.6 | 170.7 | 14.8 | 0 | 0 | 112.9 | E243 M244 I245 L249 A250 I251 V300 Y301 L304 | E243-Q247 WeakPolarHBondContact O-CB 3.46Å; E243-Q247 PolarHBondContact O-N 3.21Å; M244-Q247 WeakPolarHBondContact O-CB 3.07Å; M244-Q247 PolarHBondContact O-N 2.9Å; I245-Q247 VanDerWaalsContact C-N 3.26Å; I245-Q247 PolarHBondContact O-N 3.46Å; Q247-L249 VanDerWaalsContact C-N 3.31Å; Q247-L249 PolarHBondContact O-N 3.42Å; Q247-A250 PolarHBondContact O-N 2.91Å; Q247-I251 HydrophobicContact CG-CD1 3.95Å; Q247-I251 VanDerWaalsContact O-CG1 3.25Å; Q247-I251 WeakPolarHBondContact O-CG1 3.29Å; Q247-I251 PolarHBondContact O-N 3.19Å; Q247-V300 WeakPolarHBondContact CG-O 3.31Å; Q247-V300 PolarHBondContact NE2-O 3.45Å; Q247-Y301 PolarHBondContact NE2-O 3.25Å; Q247-L304 HydrophobicContact CB-CB 3.66Å; Q247-L304 HydrophobicContact CB-CD1 3.95Å; Q247-L304 HydrophobicContact CB-CG 4.31Å; Q247-L304 HydrophobicContact CG-CB 3.7Å; Q247-L304 HydrophobicContact CG-CD1 4Å; Q247-L304 HydrophobicContact CG-CG 4.46Å; Q247-L304 PolarHBondContact OE1-O 3.27Å |
| 248 | L | 82.1 | Confident | 78.9 | Confident | 10 Ų | 10 | 59.4 Ų | 59.4 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 179.4 | -67.8 | 169.4 | 0 | 0 | 0 | 111.4 | N218 T221 L225 M244 I245 I251 M252 | N218-L248 HydrophobicContact CB-CD2 4.41Å; N218-L248 WeakPolarHBondContact OD1-CD2 3.16Å; T221-L248 HydrophobicContact CG2-CD1 3.56Å; L225-L248 HydrophobicContact CD1-CD1 4Å; M244-L248 VanDerWaalsContact O-CG 3.3Å; M244-L248 WeakPolarHBondContact O-CG 3.2Å; M244-L248 PolarHBondContact O-N 2.96Å; I245-L248 PolarHBondContact O-N 3.49Å; L248-I251 PolarHBondContact O-N 2.98Å; L248-M252 WeakPolarHBondContact O-CB 3.19Å; L248-M252 VanDerWaalsContact O-CG 3.22Å; L248-M252 WeakPolarHBondContact O-CG 3.45Å; L248-M252 PolarHBondContact O-N 2.71Å |
| 249 | L | 84.9 | Confident | 81.1 | Confident | 109 Ų | 109 | 49 Ų | 49 | 57% | 0.571 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 176.3 | -173 | 132.4 | 0 | 0 | 0 | 111.7 | I245 I246 Q247 M252 C253 | I245-L249 WeakPolarHBondContact O-CB 3.37Å; I245-L249 PolarHBondContact O-N 3.36Å; I246-L249 PolarHBondContact O-N 2.61Å; Q247-L249 VanDerWaalsContact C-N 3.31Å; Q247-L249 PolarHBondContact O-N 3.42Å; L249-M252 PolarHBondContact O-N 3.08Å; L249-C253 WeakPolarHBondContact O-CB 3.33Å; L249-C253 PolarHBondContact O-N 3.2Å; L249-C253 PolarHBondContact O-SG 2.99Å |
| 250 | A | 86.3 | Confident | 83 | Confident | 27 Ų | 27 | 48 Ų | 48 | 22% | 0.223 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I246 Q247 M252 C253 V254 V300 L304 | I246-A250 WeakPolarHBondContact O-CB 3.1Å; I246-A250 PolarHBondContact O-N 3.12Å; Q247-A250 PolarHBondContact O-N 2.91Å; A250-M252 PolarHBondContact O-N 3.27Å; A250-C253 PolarHBondContact O-N 3.28Å; A250-V254 WeakPolarHBondContact O-CB 3.39Å; A250-V254 VanDerWaalsContact O-CG2 3.26Å; A250-V254 WeakPolarHBondContact O-CG2 3.27Å; A250-V254 PolarHBondContact O-N 2.91Å; A250-V300 HydrophobicContact CB-CG1 3.67Å; A250-L304 HydrophobicContact CB-CD1 4.13Å |
| 251 | I | 86.1 | Confident | 84.8 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61 | -47.4 | 177.6 | -65.7 | 164.3 | 0 | 0 | 0 | 110.1 | Q247 L248 S255 V300 Y301 | Q247-I251 HydrophobicContact CG-CD1 3.95Å; Q247-I251 VanDerWaalsContact O-CG1 3.25Å; Q247-I251 WeakPolarHBondContact O-CG1 3.29Å; Q247-I251 PolarHBondContact O-N 3.19Å; L248-I251 PolarHBondContact O-N 2.98Å; I251-S255 WeakPolarHBondContact O-CB 3.45Å; I251-S255 PolarHBondContact O-N 3.36Å; I251-S255 PolarHBondContact O-OG 2.75Å; I251-V300 HydrophobicContact CB-CG1 4.2Å; I251-V300 HydrophobicContact CD1-CG1 4.46Å; I251-V300 HydrophobicContact CG1-CB 3.95Å; I251-V300 HydrophobicContact CG1-CG1 3.33Å; I251-Y301 HydrophobicContact CD1-CD1 3.68Å; I251-Y301 HydrophobicContact CD1-CE1 3.54Å; I251-Y301 HydrophobicContact CG1-CD1 4.34Å; I251-Y301 HydrophobicContact CG1-CE1 4.09Å; I251-Y301 HydrophobicContact CG2-CE1 4.28Å |
| 252 | M | 87 | Confident | 86.3 | Confident | 29 Ų | 29 | 41.3 Ų | 41.3 | 14% | 0.143 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.9 | -52.9 | 178.1 | -71.4 | 166.2 | 58.4 | 0 | 0 | 111.3 | F215 N218 A219 L248 L249 A250 C256 | F215-M252 HydrophobicContact CD2-CB 4.31Å; F215-M252 HydrophobicContact CD2-CE 3.55Å; F215-M252 HydrophobicContact CD2-CG 4.38Å; F215-M252 HydrophobicContact CE1-CE 4.44Å; F215-M252 HydrophobicContact CE2-CE 3.3Å; F215-M252 HydrophobicContact CG-CE 4.23Å; F215-M252 HydrophobicContact CZ-CE 3.79Å; N218-M252 HydrophobicContact CB-CG 3.46Å; N218-M252 VanDerWaalsContact CB-CG 3.46Å; N218-M252 HydrophobicContact CB-SD 3.51Å; N218-M252 VanDerWaalsContact CB-SD 3.51Å; A219-M252 HydrophobicContact CB-CE 4.06Å; L248-M252 WeakPolarHBondContact O-CB 3.19Å; L248-M252 VanDerWaalsContact O-CG 3.22Å; L248-M252 WeakPolarHBondContact O-CG 3.45Å; L248-M252 PolarHBondContact O-N 2.71Å; L249-M252 PolarHBondContact O-N 3.08Å; A250-M252 PolarHBondContact O-N 3.27Å; M252-C256 WeakPolarHBondContact O-CB 3.37Å; M252-C256 PolarHBondContact O-N 3.48Å; M252-C256 PolarHBondContact O-SG 3.46Å |
| 253 | C | 90.8 | Very high | 87.7 | Confident | 60 Ų | 60 | 36.8 Ų | 36.8 | 41% | 0.405 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.2 | -49.6 | -177.5 | -68.7 | 0 | 0 | 0 | 0 | 112 | L249 A250 C256 I257 | L249-C253 WeakPolarHBondContact O-CB 3.33Å; L249-C253 PolarHBondContact O-N 3.2Å; L249-C253 PolarHBondContact O-SG 2.99Å; A250-C253 PolarHBondContact O-N 3.28Å; C253-C256 PolarHBondContact O-N 3.1Å; C253-I257 HydrophobicContact CB-CD1 4.48Å; C253-I257 WeakPolarHBondContact O-CB 3.47Å; C253-I257 WeakPolarHBondContact O-CD1 3.33Å; C253-I257 WeakPolarHBondContact O-CG1 3.45Å; C253-I257 PolarHBondContact O-N 3.26Å |
| 254 | V | 92.1 | Very high | 89 | Confident | 33 Ų | 33 | 37.9 Ų | 37.9 | 20% | 0.2 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.4 | -47 | -179.2 | 173 | 0 | 0 | 0 | 0 | 110.6 | A250 C256 I257 C258 L296 V300 | A250-V254 WeakPolarHBondContact O-CB 3.39Å; A250-V254 VanDerWaalsContact O-CG2 3.26Å; A250-V254 WeakPolarHBondContact O-CG2 3.27Å; A250-V254 PolarHBondContact O-N 2.91Å; V254-C256 PolarHBondContact O-N 2.91Å; V254-I257 PolarHBondContact O-N 2.92Å; V254-C258 WeakPolarHBondContact O-CB 3.49Å; V254-C258 PolarHBondContact O-N 3.32Å; V254-C258 PolarHBondContact O-SG 2.73Å; V254-C258 VanDerWaalsContact O-SG 3.33Å; V254-L296 HydrophobicContact CG1-CB 4.06Å; V254-L296 HydrophobicContact CG1-CD1 3.83Å; V254-V300 HydrophobicContact CB-CG2 4.49Å; V254-V300 HydrophobicContact CG1-CG2 4.42Å; V254-V300 HydrophobicContact CG2-CG2 4.36Å |
| 255 | S | 91.6 | Very high | 90 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -46.4 | -179.7 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | I251 W259 | I251-S255 WeakPolarHBondContact O-CB 3.45Å; I251-S255 PolarHBondContact O-N 3.36Å; I251-S255 PolarHBondContact O-OG 2.75Å; S255-W259 WeakPolarHBondContact O-CB 3.33Å; S255-W259 PolarHBondContact O-N 3.44Å |
| 256 | C | 93.2 | Very high | 90.8 | Very high | 36 Ų | 36 | 33 Ų | 33 | 24% | 0.243 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66 | -46.6 | 179.8 | -70.7 | 0 | 0 | 0 | 0 | 112 | M252 C253 V254 C258 S260 | M252-C256 WeakPolarHBondContact O-CB 3.37Å; M252-C256 PolarHBondContact O-N 3.48Å; M252-C256 PolarHBondContact O-SG 3.46Å; C253-C256 PolarHBondContact O-N 3.1Å; V254-C256 PolarHBondContact O-N 2.91Å; C256-C258 VanDerWaalsContact C-N 3.32Å; C256-C258 PolarHBondContact O-N 3.23Å; C256-S260 WeakPolarHBondContact O-CB 3.35Å; C256-S260 PolarHBondContact O-N 3.48Å; C256-S260 VanDerWaalsContact O-N 3.07Å; C256-S260 PolarHBondContact O-OG 2.86Å |
| 257 | I | 94.8 | Very high | 91.5 | Very high | 106 Ų | 106 | 29.1 Ų | 29.1 | 54% | 0.544 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66 | -37.3 | -177.7 | -68.7 | 166.6 | 0 | 0 | 0 | 111.3 | C253 V254 P261 M289 | C253-I257 HydrophobicContact CB-CD1 4.48Å; C253-I257 WeakPolarHBondContact O-CB 3.47Å; C253-I257 WeakPolarHBondContact O-CD1 3.33Å; C253-I257 WeakPolarHBondContact O-CG1 3.45Å; C253-I257 PolarHBondContact O-N 3.26Å; V254-I257 PolarHBondContact O-N 2.92Å; I257-P261 WeakPolarHBondContact O-CD 3.38Å; I257-P261 VanDerWaalsContact O-CG 3.32Å; I257-P261 WeakPolarHBondContact O-CG 3.49Å; I257-M289 HydrophobicContact CG2-CE 3.81Å |
| 258 | C | 95.1 | Very high | 92 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -79 | -46.5 | -177.5 | -73.3 | 0 | 0 | 0 | 0 | 113.3 | V254 C256 M289 A290 N293 | V254-C258 WeakPolarHBondContact O-CB 3.49Å; V254-C258 PolarHBondContact O-N 3.32Å; V254-C258 PolarHBondContact O-SG 2.73Å; V254-C258 VanDerWaalsContact O-SG 3.33Å; C256-C258 VanDerWaalsContact C-N 3.32Å; C256-C258 PolarHBondContact O-N 3.23Å; C258-M289 WeakPolarHBondContact CA-O 3.29Å; C258-M289 WeakPolarHBondContact CB-O 3.31Å; C258-M289 CarbonylContact O-C 3.57Å; C258-M289 VanDerWaalsContact O-C 3.24Å; C258-M289 PolarHBondContact SG-O 3.49Å; C258-M289 VanDerWaalsContact SG-O 3.39Å; C258-A290 WeakPolarHBondContact O-CA 3.33Å; C258-A290 PolarHBondContact O-N 3.07Å; C258-A290 VanDerWaalsContact O-N 3.15Å; C258-N293 HydrophobicContact CB-CB 3.55Å |
| 259 | W | 96.4 | Very high | 92.3 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -90.3 | -33.5 | -173 | -77.7 | 107.1 | 0 | 0 | 0 | 114.8 | G117 L121 L211 S255 P261 F262 L263 A290 N293 Q294 | G117-W259 WeakPolarHBondContact O-CH2 3.49Å; L121-W259 HydrophobicContact CD1-CD2 4.03Å; L121-W259 HydrophobicContact CD1-CE3 3.85Å; L121-W259 HydrophobicContact CD1-CZ3 4.14Å; L121-W259 HydrophobicContact CD2-CB 4.23Å; L121-W259 HydrophobicContact CD2-CD2 3.68Å; L121-W259 HydrophobicContact CD2-CE3 4.36Å; L121-W259 HydrophobicContact CD2-CG 3.6Å; L121-W259 HydrophobicContact CG-CD2 3.96Å; L121-W259 HydrophobicContact CG-CE3 4.26Å; L121-W259 HydrophobicContact CG-CG 4.41Å; L121-W259 HydrophobicContact CG-CZ2 4.22Å; L211-W259 HydrophobicContact CD1-CB 3.67Å; L211-W259 HydrophobicContact CD2-CB 4.09Å; L211-W259 HydrophobicContact CD2-CG 4.42Å; L211-W259 HydrophobicContact CG-CB 4.35Å; S255-W259 WeakPolarHBondContact O-CB 3.33Å; S255-W259 PolarHBondContact O-N 3.44Å; W259-P261 VanDerWaalsContact C-CD 3.49Å; W259-F262 PolarHBondContact O-N 3.32Å; W259-L263 HydrophobicContact CB-CD1 4.13Å; W259-L263 WeakPolarHBondContact O-CG 3.25Å; W259-L263 PolarHBondContact O-N 3.36Å; W259-L263 VanDerWaalsContact O-N 3.07Å; W259-A290 HydrophobicContact CD2-CB 4.25Å; W259-A290 HydrophobicContact CE3-CB 3.79Å; W259-A290 HydrophobicContact CH2-CB 4.24Å; W259-A290 HydrophobicContact CZ3-CB 3.8Å; W259-N293 PolarHBondContact NE1-OD1 3.22Å; W259-Q294 HydrophobicContact CZ2-CG 4.42Å |
| 260 | S | 95.9 | Very high | 92.5 | Very high | 36 Ų | 36 | 29.3 Ų | 29.3 | 25% | 0.252 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.1 | -42.5 | -174.6 | -50.4 | 0 | 0 | 0 | 0 | 113.1 | C256 F262 L263 V264 | C256-S260 WeakPolarHBondContact O-CB 3.35Å; C256-S260 PolarHBondContact O-N 3.48Å; C256-S260 VanDerWaalsContact O-N 3.07Å; C256-S260 PolarHBondContact O-OG 2.86Å; S260-F262 VanDerWaalsContact C-N 3.28Å; S260-F262 PolarHBondContact O-N 3.42Å; S260-L263 PolarHBondContact O-N 2.86Å; S260-V264 VanDerWaalsContact O-CB 3.25Å; S260-V264 WeakPolarHBondContact O-CB 3.28Å; S260-V264 WeakPolarHBondContact O-CG2 2.93Å; S260-V264 PolarHBondContact O-N 2.85Å |
| 261 | P | 95.4 | Very high | 92.7 | Very high | 44 Ų | 44 | 33.5 Ų | 33.5 | 29% | 0.286 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -55.7 | -44.3 | 178.1 | -26.1 | 35.4 | 0 | 0 | 0 | 112.3 | I257 W259 T265 A286 | I257-P261 WeakPolarHBondContact O-CD 3.38Å; I257-P261 VanDerWaalsContact O-CG 3.32Å; I257-P261 WeakPolarHBondContact O-CG 3.49Å; W259-P261 VanDerWaalsContact C-CD 3.49Å; P261-T265 VanDerWaalsContact O-CB 3.28Å; P261-T265 WeakPolarHBondContact O-CB 3.43Å; P261-T265 PolarHBondContact O-N 2.92Å; P261-T265 VanDerWaalsContact O-N 3.07Å; P261-T265 PolarHBondContact O-OG1 3.4Å; P261-A286 HydrophobicContact CB-CB 4.01Å |
| 262 | F | 95.1 | Very high | 92.5 | Very high | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.1 | -49.1 | -178.4 | -171.2 | -112.3 | 0 | 0 | 0 | 111.8 | W183 F185 F203 W259 S260 T265 M266 A286 L287 A290 | W183-F262 HydrophobicContact CH2-CE2 4.31Å; W183-F262 HydrophobicContact CH2-CZ 4.5Å; W183-F262 HydrophobicContact CZ3-CE2 4.5Å; W183-F262 HydrophobicContact CZ3-CZ 4.32Å; F185-F262 HydrophobicContact CE1-CZ 4.43Å; F185-F262 HydrophobicContact CZ-CE1 4.4Å; F185-F262 HydrophobicContact CZ-CZ 4.34Å; F203-F262 HydrophobicContact CE1-CD1 4.03Å; F203-F262 AromaticContact CE1-CE1 3.6Å; F203-F262 HydrophobicContact CE1-CE1 3.6Å; F203-F262 HydrophobicContact CZ-CD1 4.31Å; F203-F262 AromaticContact CZ-CE1 3.75Å; F203-F262 HydrophobicContact CZ-CE1 3.75Å; W259-F262 PolarHBondContact O-N 3.32Å; S260-F262 VanDerWaalsContact C-N 3.28Å; S260-F262 PolarHBondContact O-N 3.42Å; F262-T265 PolarHBondContact O-N 2.89Å; F262-M266 HydrophobicContact CD2-CE 4.04Å; F262-M266 HydrophobicContact CE1-CG 4.36Å; F262-M266 HydrophobicContact CE2-CE 3.34Å; F262-M266 HydrophobicContact CZ-CE 3.65Å; F262-M266 HydrophobicContact CZ-CG 4.32Å; F262-M266 WeakPolarHBondContact O-CG 3.47Å; F262-M266 PolarHBondContact O-N 3.13Å; F262-A286 HydrophobicContact CB-CB 4.2Å; F262-A286 HydrophobicContact CD2-CB 4.24Å; F262-L287 HydrophobicContact CD2-CB 4.1Å; F262-L287 HydrophobicContact CD2-CD1 4.29Å; F262-L287 HydrophobicContact CE2-CB 3.95Å; F262-L287 HydrophobicContact CE2-CD1 3.67Å; F262-L287 HydrophobicContact CE2-CG 4.41Å; F262-L287 HydrophobicContact CZ-CD1 3.81Å; F262-A290 HydrophobicContact CB-CB 4.23Å; F262-A290 HydrophobicContact CG-CB 4.47Å |
| 263 | L | 96.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67 | -40.1 | -177.5 | -64.5 | 167.7 | 0 | 0 | 0 | 112.5 | L121 F203 S204 L208 L211 W259 S260 T265 M266 A267 | L121-L263 HydrophobicContact CD1-CD1 4.11Å; L121-L263 HydrophobicContact CD1-CD2 4.38Å; F203-L263 HydrophobicContact CD1-CD2 4.22Å; F203-L263 HydrophobicContact CE1-CD2 3.73Å; F203-L263 HydrophobicContact CZ-CD2 4.32Å; S204-L263 VanDerWaalsContact CB-O 3.28Å; S204-L263 WeakPolarHBondContact CB-O 3.48Å; L208-L263 HydrophobicContact CD2-CB 3.87Å; L208-L263 HydrophobicContact CD2-CD1 4.27Å; L208-L263 HydrophobicContact CG-CB 3.89Å; L208-L263 HydrophobicContact CG-CD1 4.38Å; L211-L263 HydrophobicContact CD1-CD1 3.44Å; L211-L263 VanDerWaalsContact CD1-CD1 3.44Å; L211-L263 HydrophobicContact CG-CD1 4.19Å; W259-L263 HydrophobicContact CB-CD1 4.13Å; W259-L263 WeakPolarHBondContact O-CG 3.25Å; W259-L263 PolarHBondContact O-N 3.36Å; W259-L263 VanDerWaalsContact O-N 3.07Å; S260-L263 PolarHBondContact O-N 2.86Å; L263-T265 VanDerWaalsContact C-N 3.35Å; L263-M266 PolarHBondContact O-N 3.38Å; L263-A267 WeakPolarHBondContact O-CB 3.25Å; L263-A267 PolarHBondContact O-N 3.32Å |
| 264 | V | 95.1 | Very high | 89.5 | Confident | 54 Ų | 54 | 46 Ų | 46 | 33% | 0.327 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | L208 S260 A267 R268 | L208-V264 HydrophobicContact CD2-CG2 4.25Å; S260-V264 VanDerWaalsContact O-CB 3.25Å; S260-V264 WeakPolarHBondContact O-CB 3.28Å; S260-V264 WeakPolarHBondContact O-CG2 2.93Å; S260-V264 PolarHBondContact O-N 2.85Å; V264-A267 PolarHBondContact O-N 2.87Å; V264-R268 HydrophobicContact CG1-CG 4.36Å; V264-R268 WeakPolarHBondContact O-CB 3.44Å; V264-R268 VanDerWaalsContact O-CG 3.27Å; V264-R268 WeakPolarHBondContact O-CG 3.35Å; V264-R268 PolarHBondContact O-N 3.46Å |
| 265 | T | 93 | Very high | 87.6 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 175.8 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | P261 F262 L263 A267 R268 I269 E278 I283 | P261-T265 VanDerWaalsContact O-CB 3.28Å; P261-T265 WeakPolarHBondContact O-CB 3.43Å; P261-T265 PolarHBondContact O-N 2.92Å; P261-T265 VanDerWaalsContact O-N 3.07Å; P261-T265 PolarHBondContact O-OG1 3.4Å; F262-T265 PolarHBondContact O-N 2.89Å; L263-T265 VanDerWaalsContact C-N 3.35Å; T265-A267 PolarHBondContact O-N 2.87Å; T265-R268 PolarHBondContact O-N 3.18Å; T265-I269 HydrophobicContact CG2-CD1 3.98Å; T265-I269 VanDerWaalsContact O-CG1 3.31Å; T265-I269 WeakPolarHBondContact O-CG1 3.36Å; T265-I269 PolarHBondContact O-N 3.47Å; T265-E278 HydrophobicContact CG2-CB 4.38Å; T265-E278 HydrophobicContact CG2-CG 4.2Å; T265-I283 HydrophobicContact CG2-CG1 3.97Å |
| 266 | M | 93.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 177.1 | -65.7 | -55.7 | 155.5 | 0 | 0 | 112.6 | W183 F185 T188 L200 F262 L263 I269 G270 I283 | W183-M266 HydrophobicContact CH2-CE 3.98Å; F185-M266 HydrophobicContact CD1-CE 4.39Å; F185-M266 HydrophobicContact CD1-SD 4.23Å; F185-M266 HydrophobicContact CE1-CE 4.26Å; F185-M266 HydrophobicContact CE1-CG 4.22Å; F185-M266 HydrophobicContact CE1-SD 3.79Å; T188-M266 HydrophobicContact CG2-CE 4.33Å; T188-M266 HydrophobicContact CG2-SD 3.97Å; L200-M266 HydrophobicContact CD2-SD 3.87Å; F262-M266 HydrophobicContact CD2-CE 4.04Å; F262-M266 HydrophobicContact CE1-CG 4.36Å; F262-M266 HydrophobicContact CE2-CE 3.34Å; F262-M266 HydrophobicContact CZ-CE 3.65Å; F262-M266 HydrophobicContact CZ-CG 4.32Å; F262-M266 WeakPolarHBondContact O-CG 3.47Å; F262-M266 PolarHBondContact O-N 3.13Å; L263-M266 PolarHBondContact O-N 3.38Å; M266-I269 PolarHBondContact O-N 3.16Å; M266-I269 HydrophobicContact SD-CD1 4.42Å; M266-G270 PolarHBondContact O-N 3.22Å; M266-I283 HydrophobicContact CE-CG2 3.83Å |
| 267 | A | 93.7 | Very high | 84.3 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 11% | 0.107 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S204 L263 V264 T265 I269 G270 I271 | S204-A267 WeakPolarHBondContact OG-CA 3.41Å; L263-A267 WeakPolarHBondContact O-CB 3.25Å; L263-A267 PolarHBondContact O-N 3.32Å; V264-A267 PolarHBondContact O-N 2.87Å; T265-A267 PolarHBondContact O-N 2.87Å; A267-I269 VanDerWaalsContact C-N 3.35Å; A267-I269 PolarHBondContact O-N 3.06Å; A267-G270 PolarHBondContact O-N 3Å; A267-I271 VanDerWaalsContact O-CG1 3.25Å; A267-I271 WeakPolarHBondContact O-CG1 3.44Å; A267-I271 PolarHBondContact O-N 3.16Å |
| 268 | R | 92 | Very high | 83.2 | Confident | 129 Ų | 129 | 61.8 Ų | 61.8 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 178 | -77.4 | 176.7 | 179.7 | -167.1 | 0.8 | 112.3 | V264 T265 G270 I271 N272 E278 | V264-R268 HydrophobicContact CG1-CG 4.36Å; V264-R268 WeakPolarHBondContact O-CB 3.44Å; V264-R268 VanDerWaalsContact O-CG 3.27Å; V264-R268 WeakPolarHBondContact O-CG 3.35Å; V264-R268 PolarHBondContact O-N 3.46Å; T265-R268 PolarHBondContact O-N 3.18Å; R268-G270 VanDerWaalsContact C-N 3.34Å; R268-I271 PolarHBondContact O-N 3.45Å; R268-N272 WeakPolarHBondContact O-CB 3.12Å; R268-N272 PolarHBondContact O-N 3.44Å; R268-E278 IonicContact NH1-OE1 3.55Å; R268-E278 PolarHBondContact NH1-OE1 2.88Å |
| 269 | I | 89.6 | Confident | 82.4 | Confident | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.036 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 176.1 | -65.7 | 166.7 | 0 | 0 | 0 | 110.1 | T188 V191 L200 T265 M266 A267 I271 I283 | T188-I269 HydrophobicContact CG2-CD1 4.37Å; T188-I269 VanDerWaalsContact O-CG2 3.31Å; T188-I269 WeakPolarHBondContact O-CG2 3.21Å; V191-I269 HydrophobicContact CG2-CG2 4.1Å; L200-I269 HydrophobicContact CD1-CG2 3.8Å; T265-I269 HydrophobicContact CG2-CD1 3.98Å; T265-I269 VanDerWaalsContact O-CG1 3.31Å; T265-I269 WeakPolarHBondContact O-CG1 3.36Å; T265-I269 PolarHBondContact O-N 3.47Å; M266-I269 PolarHBondContact O-N 3.16Å; M266-I269 HydrophobicContact SD-CD1 4.42Å; A267-I269 VanDerWaalsContact C-N 3.35Å; A267-I269 PolarHBondContact O-N 3.06Å; I269-I271 PolarHBondContact O-N 2.04Å; I269-I283 HydrophobicContact CD1-CD1 3.95Å; I269-I283 HydrophobicContact CD1-CG1 4.5Å |
| 270 | G | 89.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.4 | -31 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | M266 A267 R268 | M266-G270 PolarHBondContact O-N 3.22Å; A267-G270 PolarHBondContact O-N 3Å; R268-G270 VanDerWaalsContact C-N 3.34Å |
| 271 | I | 89.7 | Confident | 81 | Confident | 115 Ų | 115 | 68 Ų | 68 | 59% | 0.59 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -84.9 | -42.6 | -179.7 | -65.1 | 168.6 | 0 | 0 | 0 | 112 | L201 A267 R268 I269 E273 | L201-I271 HydrophobicContact CD2-CG1 3.78Å; A267-I271 VanDerWaalsContact O-CG1 3.25Å; A267-I271 WeakPolarHBondContact O-CG1 3.44Å; A267-I271 PolarHBondContact O-N 3.16Å; R268-I271 PolarHBondContact O-N 3.45Å; I269-I271 PolarHBondContact O-N 2.04Å; I271-E273 PolarHBondContact O-N 3.04Å |
| 272 | N | 82.6 | Confident | 80.6 | Confident | 75 Ų | 75 | 68.6 Ų | 68.6 | 40% | 0.401 | 34% | 0.336 | S | S | . | . | trans | -95.3 | 94.5 | -168.5 | -71 | -36.6 | 0 | 0 | 0 | 112.5 | R268 N274 | R268-N272 WeakPolarHBondContact O-CB 3.12Å; R268-N272 PolarHBondContact O-N 3.44Å; N272-N274 PolarHBondContact O-N 3.06Å; N272-N274 VanDerWaalsContact O-N 3.09Å | ||
| 273 | E | 59.6 | Low | 80.2 | Confident | 124 Ų | 124 | 69 Ų | 69 | 58% | 0.579 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -24.3 | -179.5 | 173.9 | 157 | -130 | 0 | 0 | 116.2 | R197 I271 | R197-E273 IonicContact CZ-OE1 2.78Å; R197-E273 VanDerWaalsContact CZ-OE1 3.28Å; R197-E273 IonicContact NH1-OE1 2.71Å; R197-E273 PolarHBondContact NH1-OE1 2.91Å; R197-E273 IonicContact NH1-OE2 3.28Å; R197-E273 IonicContact NH2-OE1 3.26Å; R197-E273 PolarHBondContact NH2-OE1 3Å; I271-E273 PolarHBondContact O-N 3.04Å |
| 274 | N | 54.3 | Low | 79.8 | Confident | 155 Ų | 155 | 69.5 Ų | 69.5 | 83% | 0.829 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149.8 | 8.4 | -169.4 | -113.6 | -19.1 | 0 | 0 | 0 | 116.4 | N272 | N272-N274 PolarHBondContact O-N 3.06Å; N272-N274 VanDerWaalsContact O-N 3.09Å |
| 275 | R | 52.1 | Low | 79.5 | Confident | 223 Ų | 223 | 72.7 Ų | 72.7 | 84% | 0.842 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.3 | -11.7 | -165.5 | -68.5 | -89.1 | -150.6 | -152.8 | 0.3 | 115.7 | K277 | R275-K277 VanDerWaalsContact C-N 3.34Å; R275-K277 PolarHBondContact O-N 3.41Å |
| 276 | S | 55.5 | Low | 79.4 | Confident | 43 Ų | 43 | 72.3 Ų | 72.3 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | trans | -76 | 89.6 | -180 | 65.5 | 0 | 0 | 0 | 0 | 110.1 | E278 | S276-E278 PolarHBondContact O-N 3.4Š| ||
| 277 | K | 61.5 | Low | 79.3 | Confident | 199 Ų | 199 | 73.6 Ų | 73.6 | 87% | 0.865 | 36% | 0.356 | S | S | * | . | trans | -72.9 | 44.3 | 163.3 | -65.1 | -176.4 | 178.3 | -178.4 | 0 | 110.4 | R275 T279 | R275-K277 VanDerWaalsContact C-N 3.34Å; R275-K277 PolarHBondContact O-N 3.41Å; K277-T279 PolarHBondContact O-N 3.49Å | ||
| 278 | E | 71.1 | Confident | 79.2 | Confident | 50 Ų | 50 | 75.8 Ų | 75.8 | 23% | 0.234 | 36% | 0.361 | C | S | . | . | trans | -71.3 | 107.6 | 174.1 | -69.2 | -66.5 | 171.3 | 0 | 0 | 106.8 | T265 R268 S276 T282 | T265-E278 HydrophobicContact CG2-CB 4.38Å; T265-E278 HydrophobicContact CG2-CG 4.2Å; R268-E278 IonicContact NH1-OE1 3.55Å; R268-E278 PolarHBondContact NH1-OE1 2.88Å; S276-E278 PolarHBondContact O-N 3.4Å; E278-T282 WeakPolarHBondContact OE2-CG2 2.99Å | ||
| 279 | T | 77.5 | Confident | 79.2 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 52% | 0.515 | 35% | 0.347 | S | S | . | . | trans | -63.7 | 145.3 | -178.8 | -51.4 | 0 | 0 | 0 | 0 | 109.3 | K277 E281 T282 I283 | K277-T279 PolarHBondContact O-N 3.49Å; T279-E281 HydrophobicContact CG2-CB 4.14Å; T279-E281 HydrophobicContact CG2-CG 4.27Å; T279-E281 PolarHBondContact O-N 2.82Å; T279-T282 WeakPolarHBondContact O-CB 3.35Å; T279-T282 PolarHBondContact O-N 3.2Å; T279-I283 PolarHBondContact O-N 2.96Å | ||
| 280 | C | 80.2 | Confident | 79.3 | Confident | 25 Ų | 25 | 71.3 Ų | 71.3 | 17% | 0.169 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -47.9 | -37.4 | 172.5 | 177.8 | 0 | 0 | 0 | 0 | 112.6 | C20 A179 T282 I283 L284 | C20-C280 HydrophobicContact CB-CB 3.86Å; C20-C280 WeakPolarHBondContact CB-SG 3.45Å; C20-C280 PolarHBondContact SG-SG 2.89Å; A179-C280 HydrophobicContact CB-CB 3.99Å; C280-T282 PolarHBondContact O-N 3.35Å; C280-I283 PolarHBondContact O-N 2.89Å; C280-L284 WeakPolarHBondContact O-CB 3.4Å; C280-L284 WeakPolarHBondContact O-CG 3.39Å; C280-L284 PolarHBondContact O-N 3.32Å |
| 281 | E | 82.9 | Confident | 79.4 | Confident | 69 Ų | 69 | 73 Ų | 73 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 175 | -66.2 | -62.7 | 158.5 | 0 | 0 | 113 | C20 T22 T279 L284 F285 | C20-E281 PolarHBondContact SG-OE1 3.37Å; T22-E281 WeakPolarHBondContact CB-OE1 3.26Å; T22-E281 WeakPolarHBondContact CG2-OE1 3.39Å; T22-E281 PolarHBondContact OG1-OE1 2.69Å; T279-E281 HydrophobicContact CG2-CB 4.14Å; T279-E281 HydrophobicContact CG2-CG 4.27Å; T279-E281 PolarHBondContact O-N 2.82Å; E281-L284 PolarHBondContact O-N 2.89Å; E281-F285 VanDerWaalsContact O-CB 3.29Å; E281-F285 WeakPolarHBondContact O-CB 3.29Å; E281-F285 PolarHBondContact O-N 3.46Å |
| 282 | T | 86.4 | Confident | 79.5 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 34% | 0.344 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 177.2 | -51.2 | 0 | 0 | 0 | 0 | 110.9 | E278 T279 C280 F285 A286 | E278-T282 WeakPolarHBondContact OE2-CG2 2.99Å; T279-T282 WeakPolarHBondContact O-CB 3.35Å; T279-T282 PolarHBondContact O-N 3.2Å; C280-T282 PolarHBondContact O-N 3.35Å; T282-F285 PolarHBondContact O-N 2.9Å; T282-A286 VanDerWaalsContact O-CB 3.29Å; T282-A286 WeakPolarHBondContact O-CB 3.35Å; T282-A286 PolarHBondContact O-N 3.39Å |
| 283 | I | 88.6 | Confident | 79.9 | Confident | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 178.5 | -60.1 | 173.6 | 0 | 0 | 0 | 110.3 | W183 T265 M266 I269 T279 C280 A286 L287 | W183-I283 HydrophobicContact CH2-CG2 3.87Å; W183-I283 HydrophobicContact CZ2-CG2 3.54Å; T265-I283 HydrophobicContact CG2-CG1 3.97Å; M266-I283 HydrophobicContact CE-CG2 3.83Å; I269-I283 HydrophobicContact CD1-CD1 3.95Å; I269-I283 HydrophobicContact CD1-CG1 4.5Å; T279-I283 PolarHBondContact O-N 2.96Å; C280-I283 PolarHBondContact O-N 2.89Å; I283-A286 PolarHBondContact O-N 2.99Å; I283-L287 WeakPolarHBondContact O-CB 3.45Å; I283-L287 PolarHBondContact O-N 3.01Å |
| 284 | L | 87.5 | Confident | 81.4 | Confident | 9 Ų | 9 | 63.8 Ų | 63.8 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 176.6 | -75.2 | 176.6 | 0 | 0 | 0 | 112.2 | C280 E281 L287 R288 | C280-L284 WeakPolarHBondContact O-CB 3.4Å; C280-L284 WeakPolarHBondContact O-CG 3.39Å; C280-L284 PolarHBondContact O-N 3.32Å; E281-L284 PolarHBondContact O-N 2.89Å; L284-L287 PolarHBondContact O-N 3.34Å; L284-R288 WeakPolarHBondContact O-CB 3.36Å; L284-R288 VanDerWaalsContact O-CG 3.25Å; L284-R288 WeakPolarHBondContact O-CG 3.5Å; L284-R288 PolarHBondContact O-N 2.97Å |
| 285 | F | 88.5 | Confident | 83 | Confident | 122 Ų | 122 | 56.6 Ų | 56.6 | 54% | 0.535 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 174.7 | 176.2 | -97.8 | 0 | 0 | 0 | 110.9 | E281 T282 L287 R288 M289 | E281-F285 VanDerWaalsContact O-CB 3.29Å; E281-F285 WeakPolarHBondContact O-CB 3.29Å; E281-F285 PolarHBondContact O-N 3.46Å; T282-F285 PolarHBondContact O-N 2.9Å; F285-L287 VanDerWaalsContact C-N 3.32Å; F285-L287 PolarHBondContact O-N 2.78Å; F285-R288 WeakPolarHBondContact O-CB 3.24Å; F285-R288 PolarHBondContact O-N 3.32Å; F285-R288 VanDerWaalsContact O-N 3.16Å; F285-M289 HydrophobicContact CD1-CG 4.13Å; F285-M289 HydrophobicContact CE1-CG 3.68Å; F285-M289 HydrophobicContact CE1-SD 4.33Å; F285-M289 HydrophobicContact CE2-CG 4.28Å; F285-M289 HydrophobicContact CE2-SD 4.22Å; F285-M289 HydrophobicContact CZ-CG 3.76Å; F285-M289 HydrophobicContact CZ-SD 3.81Å; F285-M289 WeakPolarHBondContact O-CG 3.04Å; F285-M289 PolarHBondContact O-N 2.87Å |
| 286 | A | 92.1 | Very high | 84.7 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.3 | -40.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P261 F262 T282 I283 M289 A290 | P261-A286 HydrophobicContact CB-CB 4.01Å; F262-A286 HydrophobicContact CB-CB 4.2Å; F262-A286 HydrophobicContact CD2-CB 4.24Å; T282-A286 VanDerWaalsContact O-CB 3.29Å; T282-A286 WeakPolarHBondContact O-CB 3.35Å; T282-A286 PolarHBondContact O-N 3.39Å; I283-A286 PolarHBondContact O-N 2.99Å; A286-M289 WeakPolarHBondContact O-CB 3.31Å; A286-M289 PolarHBondContact O-N 2.83Å; A286-A290 PolarHBondContact O-N 3.41Å |
| 287 | L | 91.3 | Very high | 86 | Confident | 27 Ų | 27 | 46.8 Ų | 46.8 | 14% | 0.141 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 174.1 | -178.4 | 68.3 | 0 | 0 | 0 | 111.7 | M113 W183 F262 I283 L284 F285 M289 A290 T291 | M113-L287 HydrophobicContact CE-CD1 3.69Å; M113-L287 HydrophobicContact CE-CD2 4.06Å; M113-L287 HydrophobicContact CE-CG 4.45Å; W183-L287 HydrophobicContact CD2-CD2 3.83Å; W183-L287 HydrophobicContact CE3-CD2 4.07Å; W183-L287 HydrophobicContact CG-CD2 4.16Å; W183-L287 HydrophobicContact CZ3-CD2 4.49Å; F262-L287 HydrophobicContact CD2-CB 4.1Å; F262-L287 HydrophobicContact CD2-CD1 4.29Å; F262-L287 HydrophobicContact CE2-CB 3.95Å; F262-L287 HydrophobicContact CE2-CD1 3.67Å; F262-L287 HydrophobicContact CE2-CG 4.41Å; F262-L287 HydrophobicContact CZ-CD1 3.81Å; I283-L287 WeakPolarHBondContact O-CB 3.45Å; I283-L287 PolarHBondContact O-N 3.01Å; L284-L287 PolarHBondContact O-N 3.34Å; F285-L287 VanDerWaalsContact C-N 3.32Å; F285-L287 PolarHBondContact O-N 2.78Å; L287-M289 VanDerWaalsContact C-N 3.33Å; L287-M289 PolarHBondContact O-N 3.27Å; L287-A290 WeakPolarHBondContact O-CB 3.2Å; L287-A290 PolarHBondContact O-N 2.75Å; L287-T291 PolarHBondContact O-N 2.89Å; L287-T291 VanDerWaalsContact O-N 3.08Å; L287-T291 PolarHBondContact O-OG1 3.11Å |
| 288 | R | 90.8 | Very high | 86.8 | Confident | 58 Ų | 58 | 37.4 Ų | 37.4 | 22% | 0.219 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.2 | -40.6 | 175.7 | -75 | 170.6 | -177 | 160.7 | 3.5 | 111.5 | S27 F34 L284 F285 A290 T291 W292 | S27-R288 PolarHBondContact OG-NH2 3.03Å; S27-R288 VanDerWaalsContact OG-NH2 3.11Å; F34-R288 HydrophobicContact CE2-CB 4.11Å; F34-R288 HydrophobicContact CE2-CG 4.27Å; L284-R288 WeakPolarHBondContact O-CB 3.36Å; L284-R288 VanDerWaalsContact O-CG 3.25Å; L284-R288 WeakPolarHBondContact O-CG 3.5Å; L284-R288 PolarHBondContact O-N 2.97Å; F285-R288 WeakPolarHBondContact O-CB 3.24Å; F285-R288 PolarHBondContact O-N 3.32Å; F285-R288 VanDerWaalsContact O-N 3.16Å; R288-A290 VanDerWaalsContact C-N 3.31Å; R288-A290 PolarHBondContact O-N 3.43Å; R288-T291 WeakPolarHBondContact CA-OG1 3.13Å; R288-T291 PolarHBondContact O-N 2.83Å; R288-T291 PolarHBondContact O-OG1 2.82Å; R288-W292 VanDerWaalsContact O-CD1 3.23Å; R288-W292 PolarHBondContact O-N 3.44Å; R288-W292 VanDerWaalsContact O-N 3.13Å |
| 289 | M | 91.6 | Very high | 87.2 | Confident | 40 Ų | 40 | 37.6 Ų | 37.6 | 20% | 0.197 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61 | -40.5 | 174.6 | -69.8 | -58 | -66.5 | 0 | 0 | 111.4 | I257 C258 F285 A286 L287 W292 | I257-M289 HydrophobicContact CG2-CE 3.81Å; C258-M289 WeakPolarHBondContact CA-O 3.29Å; C258-M289 WeakPolarHBondContact CB-O 3.31Å; C258-M289 CarbonylContact O-C 3.57Å; C258-M289 VanDerWaalsContact O-C 3.24Å; C258-M289 PolarHBondContact SG-O 3.49Å; C258-M289 VanDerWaalsContact SG-O 3.39Å; F285-M289 HydrophobicContact CD1-CG 4.13Å; F285-M289 HydrophobicContact CE1-CG 3.68Å; F285-M289 HydrophobicContact CE1-SD 4.33Å; F285-M289 HydrophobicContact CE2-CG 4.28Å; F285-M289 HydrophobicContact CE2-SD 4.22Å; F285-M289 HydrophobicContact CZ-CG 3.76Å; F285-M289 HydrophobicContact CZ-SD 3.81Å; F285-M289 WeakPolarHBondContact O-CG 3.04Å; F285-M289 PolarHBondContact O-N 2.87Å; A286-M289 WeakPolarHBondContact O-CB 3.31Å; A286-M289 PolarHBondContact O-N 2.83Å; L287-M289 VanDerWaalsContact C-N 3.33Å; L287-M289 PolarHBondContact O-N 3.27Å; M289-W292 WeakPolarHBondContact O-CB 3.14Å; M289-W292 PolarHBondContact O-N 2.88Å |
| 290 | A | 93.1 | Very high | 87.2 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | C258 W259 F262 A286 L287 R288 W292 N293 | C258-A290 WeakPolarHBondContact O-CA 3.33Å; C258-A290 PolarHBondContact O-N 3.07Å; C258-A290 VanDerWaalsContact O-N 3.15Å; W259-A290 HydrophobicContact CD2-CB 4.25Å; W259-A290 HydrophobicContact CE3-CB 3.79Å; W259-A290 HydrophobicContact CH2-CB 4.24Å; W259-A290 HydrophobicContact CZ3-CB 3.8Å; F262-A290 HydrophobicContact CB-CB 4.23Å; F262-A290 HydrophobicContact CG-CB 4.47Å; A286-A290 PolarHBondContact O-N 3.41Å; L287-A290 WeakPolarHBondContact O-CB 3.2Å; L287-A290 PolarHBondContact O-N 2.75Å; R288-A290 VanDerWaalsContact C-N 3.31Å; R288-A290 PolarHBondContact O-N 3.43Å; A290-W292 VanDerWaalsContact C-N 3.27Å; A290-W292 PolarHBondContact O-N 3.01Å; A290-N293 VanDerWaalsContact O-CB 3.32Å; A290-N293 WeakPolarHBondContact O-CB 3.49Å; A290-N293 PolarHBondContact O-N 3.39Å |
| 291 | T | 91.3 | Very high | 86.7 | Confident | 37 Ų | 37 | 33.6 Ų | 33.6 | 23% | 0.227 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65 | -27.7 | 175.8 | 44.4 | 0 | 0 | 0 | 0 | 113.7 | L287 R288 N293 Q294 I295 | L287-T291 PolarHBondContact O-N 2.89Å; L287-T291 VanDerWaalsContact O-N 3.08Å; L287-T291 PolarHBondContact O-OG1 3.11Å; R288-T291 WeakPolarHBondContact CA-OG1 3.13Å; R288-T291 PolarHBondContact O-N 2.83Å; R288-T291 PolarHBondContact O-OG1 2.82Å; T291-N293 PolarHBondContact O-N 2.81Å; T291-Q294 PolarHBondContact O-N 3.12Å; T291-I295 WeakPolarHBondContact O-CG1 3.17Å; T291-I295 PolarHBondContact O-N 3.48Å |
| 292 | W | 90.9 | Very high | 85.8 | Confident | 105 Ų | 105 | 30.9 Ų | 30.9 | 40% | 0.398 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61 | -32.9 | 172.4 | -86.8 | 101.9 | 0 | 0 | 0 | 112.1 | F34 R288 M289 A290 I295 L296 | F34-W292 HydrophobicContact CE1-CZ2 4.04Å; F34-W292 AromaticContact CE2-CD1 3.92Å; F34-W292 AromaticContact CE2-NE1 3.5Å; F34-W292 AromaticContact CZ-CE2 3.74Å; F34-W292 AromaticContact CZ-CZ2 3.96Å; F34-W292 HydrophobicContact CZ-CZ2 3.96Å; F34-W292 AromaticContact CZ-NE1 3.26Å; F34-W292 VanDerWaalsContact CZ-NE1 3.26Å; R288-W292 VanDerWaalsContact O-CD1 3.23Å; R288-W292 PolarHBondContact O-N 3.44Å; R288-W292 VanDerWaalsContact O-N 3.13Å; M289-W292 WeakPolarHBondContact O-CB 3.14Å; M289-W292 PolarHBondContact O-N 2.88Å; A290-W292 VanDerWaalsContact C-N 3.27Å; A290-W292 PolarHBondContact O-N 3.01Å; W292-I295 PolarHBondContact O-N 3.19Å; W292-L296 HydrophobicContact CE3-CD1 4.21Å; W292-L296 HydrophobicContact CE3-CG 4.28Å; W292-L296 WeakPolarHBondContact O-CB 3.3Å; W292-L296 WeakPolarHBondContact O-CG 3.26Å; W292-L296 PolarHBondContact O-N 3.27Å |
| 293 | N | 91.5 | Very high | 84.3 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.8 | -48.7 | 176.2 | -176.7 | -110.6 | 0 | 0 | 0 | 111.4 | C258 W259 A290 T291 I295 L296 D297 | C258-N293 HydrophobicContact CB-CB 3.55Å; W259-N293 PolarHBondContact NE1-OD1 3.22Å; A290-N293 VanDerWaalsContact O-CB 3.32Å; A290-N293 WeakPolarHBondContact O-CB 3.49Å; A290-N293 PolarHBondContact O-N 3.39Å; T291-N293 PolarHBondContact O-N 2.81Å; N293-I295 PolarHBondContact O-N 3Å; N293-L296 PolarHBondContact O-N 3.07Å; N293-D297 VanDerWaalsContact CG-OD1 3.22Å; N293-D297 PolarHBondContact ND2-OD1 2.6Å; N293-D297 VanDerWaalsContact O-CB 3.31Å; N293-D297 WeakPolarHBondContact O-CB 3.31Å; N293-D297 PolarHBondContact O-N 3.48Å; N293-D297 PolarHBondContact OD1-OD1 3.26Å |
| 294 | Q | 90.2 | Very high | 82.4 | Confident | 13 Ų | 13 | 32.5 Ų | 32.5 | 6% | 0.061 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.8 | -28.4 | 179.5 | -63.2 | 170.6 | -0.8 | 0 | 0 | 112.8 | N42 D75 F116 W259 T291 | N42-Q294 PolarHBondContact ND2-O 2.93Å; D75-Q294 HydrophobicContact CB-CB 4.32Å; F116-Q294 PolarHBondContact O-NE2 3.29Å; F116-Q294 VanDerWaalsContact O-NE2 3.09Å; W259-Q294 HydrophobicContact CZ2-CG 4.42Å; T291-Q294 PolarHBondContact O-N 3.12Å |
| 295 | I | 89.4 | Confident | 81.1 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -76 | -41.9 | 174.6 | -62.3 | 173.7 | 0 | 0 | 0 | 111 | F34 V37 S41 T291 W292 N293 W299 | F34-I295 HydrophobicContact CB-CD1 4.34Å; V37-I295 HydrophobicContact CG1-CG2 3.8Å; S41-I295 PolarHBondContact OG-O 2.95Å; T291-I295 WeakPolarHBondContact O-CG1 3.17Å; T291-I295 PolarHBondContact O-N 3.48Å; W292-I295 PolarHBondContact O-N 3.19Å; N293-I295 PolarHBondContact O-N 3Å; I295-W299 VanDerWaalsContact O-CD1 3.29Å |
| 296 | L | 87.4 | Confident | 79.1 | Confident | 55 Ų | 55 | 35.3 Ų | 35.3 | 29% | 0.288 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -84.9 | -31 | -172.2 | -68.3 | 173.8 | 0 | 0 | 0 | 113.4 | V254 W292 N293 W299 V300 | V254-L296 HydrophobicContact CG1-CB 4.06Å; V254-L296 HydrophobicContact CG1-CD1 3.83Å; W292-L296 HydrophobicContact CE3-CD1 4.21Å; W292-L296 HydrophobicContact CE3-CG 4.28Å; W292-L296 WeakPolarHBondContact O-CB 3.3Å; W292-L296 WeakPolarHBondContact O-CG 3.26Å; W292-L296 PolarHBondContact O-N 3.27Å; N293-L296 PolarHBondContact O-N 3.07Å; L296-W299 WeakPolarHBondContact O-CA 3.34Å; L296-W299 WeakPolarHBondContact O-CB 3.43Å; L296-W299 PolarHBondContact O-N 3.42Å; L296-V300 HydrophobicContact CB-CG2 4.35Å; L296-V300 VanDerWaalsContact O-CG2 3.31Å; L296-V300 WeakPolarHBondContact O-CG2 3.37Å; L296-V300 PolarHBondContact O-N 2.94Å |
| 297 | D | 82.4 | Confident | 77 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -45.4 | -56.1 | -175.5 | -104.8 | 30.9 | 0 | 0 | 0 | 113.1 | L71 N293 W299 V300 Y301 | L71-D297 HydrophobicContact CD2-CB 4.17Å; L71-D297 WeakPolarHBondContact CD2-OD2 3.32Å; N293-D297 VanDerWaalsContact CG-OD1 3.22Å; N293-D297 PolarHBondContact ND2-OD1 2.6Å; N293-D297 VanDerWaalsContact O-CB 3.31Å; N293-D297 WeakPolarHBondContact O-CB 3.31Å; N293-D297 PolarHBondContact O-N 3.48Å; N293-D297 PolarHBondContact OD1-OD1 3.26Å; D297-W299 PolarHBondContact O-N 2.94Å; D297-W299 VanDerWaalsContact O-N 3.14Å; D297-V300 PolarHBondContact O-N 3.21Å; D297-Y301 HydrophobicContact CB-CD2 4.48Å; D297-Y301 HydrophobicContact CB-CE2 4.04Å; D297-Y301 WeakPolarHBondContact O-CD2 3.29Å; D297-Y301 WeakPolarHBondContact O-CE2 3.13Å; D297-Y301 PolarHBondContact O-N 3.29Å; D297-Y301 VanDerWaalsContact O-N 3.12Å |
| 298 | P | 78.7 | Confident | 75 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -53.1 | -40 | 176.6 | 17.5 | -31.7 | 0 | 0 | 0 | 113 | A45 V72 Y301 I302 | A45-P298 HydrophobicContact CB-CB 3.33Å; A45-P298 HydrophobicContact CB-CG 4.2Å; V72-P298 HydrophobicContact CG2-CB 3.97Å; P298-Y301 PolarHBondContact O-N 2.85Å; P298-I302 HydrophobicContact CB-CD1 4.2Å; P298-I302 WeakPolarHBondContact O-CB 3.03Å; P298-I302 WeakPolarHBondContact O-CD1 3.37Å; P298-I302 WeakPolarHBondContact O-CG1 3.44Å; P298-I302 PolarHBondContact O-N 3.49Å |
| 299 | W | 78.3 | Confident | 73 | Confident | 55 Ų | 55 | 39.5 Ų | 39.5 | 21% | 0.208 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.4 | -39 | -177.7 | -60.2 | 112.6 | 0 | 0 | 0 | 112.9 | S41 L44 I295 L296 D297 Y301 I302 L303 L312 | S41-W299 PolarHBondContact OG-NE1 2.82Å; L44-W299 HydrophobicContact CD2-CH2 3.56Å; L44-W299 HydrophobicContact CD2-CZ2 4.09Å; L44-W299 HydrophobicContact CG-CH2 3.94Å; I295-W299 VanDerWaalsContact O-CD1 3.29Å; L296-W299 WeakPolarHBondContact O-CA 3.34Å; L296-W299 WeakPolarHBondContact O-CB 3.43Å; L296-W299 PolarHBondContact O-N 3.42Å; D297-W299 PolarHBondContact O-N 2.94Å; D297-W299 VanDerWaalsContact O-N 3.14Å; W299-Y301 PolarHBondContact O-N 3.11Å; W299-I302 PolarHBondContact O-N 2.94Å; W299-L303 HydrophobicContact CB-CD1 3.71Å; W299-L303 HydrophobicContact CB-CG 3.97Å; W299-L303 HydrophobicContact CD2-CD1 4.37Å; W299-L303 HydrophobicContact CD2-CG 4.39Å; W299-L303 HydrophobicContact CE3-CD1 4.07Å; W299-L303 HydrophobicContact CE3-CD2 3.6Å; W299-L303 HydrophobicContact CE3-CG 3.68Å; W299-L303 HydrophobicContact CG-CD1 4.29Å; W299-L303 HydrophobicContact CZ3-CD2 4Å; W299-L303 VanDerWaalsContact O-CB 3.22Å; W299-L303 WeakPolarHBondContact O-CB 3.49Å; W299-L303 WeakPolarHBondContact O-CG 3.42Å; W299-L303 PolarHBondContact O-N 3.43Å; W299-L312 HydrophobicContact CZ3-CD1 4.47Å |
| 300 | V | 78.1 | Confident | 71.1 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 9% | 0.085 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.5 | -28.7 | 175.1 | -155.2 | 0 | 0 | 0 | 0 | 110.5 | Q247 A250 I251 V254 L296 D297 L304 | Q247-V300 WeakPolarHBondContact CG-O 3.31Å; Q247-V300 PolarHBondContact NE2-O 3.45Å; A250-V300 HydrophobicContact CB-CG1 3.67Å; I251-V300 HydrophobicContact CB-CG1 4.2Å; I251-V300 HydrophobicContact CD1-CG1 4.46Å; I251-V300 HydrophobicContact CG1-CB 3.95Å; I251-V300 HydrophobicContact CG1-CG1 3.33Å; V254-V300 HydrophobicContact CB-CG2 4.49Å; V254-V300 HydrophobicContact CG1-CG2 4.42Å; V254-V300 HydrophobicContact CG2-CG2 4.36Å; L296-V300 HydrophobicContact CB-CG2 4.35Å; L296-V300 VanDerWaalsContact O-CG2 3.31Å; L296-V300 WeakPolarHBondContact O-CG2 3.37Å; L296-V300 PolarHBondContact O-N 2.94Å; D297-V300 PolarHBondContact O-N 3.21Å; V300-L304 HydrophobicContact CG1-CD1 4.46Å |
| 301 | Y | 69.5 | Low | 69.2 | Low | 11 Ų | 11 | 47.8 Ų | 47.8 | 4% | 0.043 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -81.4 | -36 | 173.7 | -62.3 | -55.1 | 0 | 0 | 0 | 114.7 | L71 M127 Q247 I251 D297 P298 W299 | L71-Y301 HydrophobicContact CD2-CD2 4.02Å; L71-Y301 HydrophobicContact CD2-CE2 3.49Å; L71-Y301 VanDerWaalsContact CD2-CE2 3.49Å; M127-Y301 HydrophobicContact CE-CE1 4.34Å; M127-Y301 HydrophobicContact CE-CE2 3.96Å; M127-Y301 WeakPolarHBondContact CE-OH 3.31Å; Q247-Y301 PolarHBondContact NE2-O 3.25Å; I251-Y301 HydrophobicContact CD1-CD1 3.68Å; I251-Y301 HydrophobicContact CD1-CE1 3.54Å; I251-Y301 HydrophobicContact CG1-CD1 4.34Å; I251-Y301 HydrophobicContact CG1-CE1 4.09Å; I251-Y301 HydrophobicContact CG2-CE1 4.28Å; D297-Y301 HydrophobicContact CB-CD2 4.48Å; D297-Y301 HydrophobicContact CB-CE2 4.04Å; D297-Y301 WeakPolarHBondContact O-CD2 3.29Å; D297-Y301 WeakPolarHBondContact O-CE2 3.13Å; D297-Y301 PolarHBondContact O-N 3.29Å; D297-Y301 VanDerWaalsContact O-N 3.12Å; P298-Y301 PolarHBondContact O-N 2.85Å; W299-Y301 PolarHBondContact O-N 3.11Å |
| 302 | I | 65 | Low | 67.4 | Low | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -95.4 | -44.6 | -170.4 | -67.1 | 168.5 | 0 | 0 | 0 | 112.7 | A45 I48 L49 P298 W299 L304 R305 V308 | A45-I302 HydrophobicContact CB-CD1 3.63Å; I48-I302 HydrophobicContact CD1-CG2 4.28Å; I48-I302 HydrophobicContact CG2-CG2 3.96Å; L49-I302 HydrophobicContact CG-CD1 4.38Å; P298-I302 HydrophobicContact CB-CD1 4.2Å; P298-I302 WeakPolarHBondContact O-CB 3.03Å; P298-I302 WeakPolarHBondContact O-CD1 3.37Å; P298-I302 WeakPolarHBondContact O-CG1 3.44Å; P298-I302 PolarHBondContact O-N 3.49Å; W299-I302 PolarHBondContact O-N 2.94Å; I302-L304 VanDerWaalsContact C-N 3.35Å; I302-L304 PolarHBondContact O-N 3.26Å; I302-R305 PolarHBondContact O-N 3.24Å; I302-V308 HydrophobicContact CG2-CB 4.3Å; I302-V308 HydrophobicContact CG2-CG1 3.59Å; I302-V308 HydrophobicContact CG2-CG2 4.49Å |
| 303 | L | 53.5 | Low | 65.6 | Low | 65 Ų | 65 | 49.8 Ų | 49.8 | 34% | 0.34 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -39.1 | -171.8 | -67.9 | 179.1 | 0 | 0 | 0 | 111.6 | W299 R305 L309 L312 | W299-L303 HydrophobicContact CB-CD1 3.71Å; W299-L303 HydrophobicContact CB-CG 3.97Å; W299-L303 HydrophobicContact CD2-CD1 4.37Å; W299-L303 HydrophobicContact CD2-CG 4.39Å; W299-L303 HydrophobicContact CE3-CD1 4.07Å; W299-L303 HydrophobicContact CE3-CD2 3.6Å; W299-L303 HydrophobicContact CE3-CG 3.68Å; W299-L303 HydrophobicContact CG-CD1 4.29Å; W299-L303 HydrophobicContact CZ3-CD2 4Å; W299-L303 VanDerWaalsContact O-CB 3.22Å; W299-L303 WeakPolarHBondContact O-CB 3.49Å; W299-L303 WeakPolarHBondContact O-CG 3.42Å; W299-L303 PolarHBondContact O-N 3.43Å; L303-R305 PolarHBondContact O-N 2.99Å; L303-L309 WeakPolarHBondContact O-CD1 3.3Å; L303-L309 WeakPolarHBondContact O-CG 3.01Å; L303-L312 HydrophobicContact CD2-CD1 3.57Å |
| 304 | L | 50 | Low | 63.8 | Low | 42 Ų | 42 | 55.2 Ų | 55.2 | 22% | 0.22 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 24.5 | -175.1 | -69.2 | 150.9 | 0 | 0 | 0 | 113.6 | E243 I246 Q247 A250 V300 I302 | E243-L304 VanDerWaalsContact CG-O 3.28Å; E243-L304 WeakPolarHBondContact CG-O 3.3Å; I246-L304 HydrophobicContact CG2-CD2 4.08Å; Q247-L304 HydrophobicContact CB-CB 3.66Å; Q247-L304 HydrophobicContact CB-CD1 3.95Å; Q247-L304 HydrophobicContact CB-CG 4.31Å; Q247-L304 HydrophobicContact CG-CB 3.7Å; Q247-L304 HydrophobicContact CG-CD1 4Å; Q247-L304 HydrophobicContact CG-CG 4.46Å; Q247-L304 PolarHBondContact OE1-O 3.27Å; A250-L304 HydrophobicContact CB-CD1 4.13Å; V300-L304 HydrophobicContact CG1-CD1 4.46Å; I302-L304 VanDerWaalsContact C-N 3.35Å; I302-L304 PolarHBondContact O-N 3.26Å |
| 305 | R | 59.3 | Low | 62.1 | Low | 94 Ų | 94 | 59.7 Ų | 59.7 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -108.7 | 115.8 | 162.4 | -73.5 | -172.5 | 178.9 | -166.1 | 0.9 | 109.4 | E243 I302 L303 A307 V308 L309 | E243-R305 VanDerWaalsContact OE1-C 3.23Å; E243-R305 WeakPolarHBondContact OE1-CA 3.47Å; I302-R305 PolarHBondContact O-N 3.24Å; L303-R305 PolarHBondContact O-N 2.99Å; R305-A307 PolarHBondContact O-N 2.93Å; R305-V308 HydrophobicContact CB-CG2 4.49Å; R305-V308 WeakPolarHBondContact O-CA 3.44Å; R305-V308 PolarHBondContact O-N 2.83Å; R305-L309 PolarHBondContact O-N 2.91Å; R305-L309 VanDerWaalsContact O-N 3.14Å |
| 306 | K | 45.9 | Very low | 60.3 | Low | 95 Ų | 95 | 63.7 Ų | 63.7 | 41% | 0.413 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -45.3 | -36.4 | -176.3 | -139.1 | 175.7 | 176.4 | -178.6 | 0 | 114.7 | S239 E243 V308 K310 | S239-K306 PolarHBondContact OG-NZ 3.23Å; E243-K306 VanDerWaalsContact OE1-CA 3.28Å; E243-K306 WeakPolarHBondContact OE1-CA 3.33Å; E243-K306 PolarHBondContact OE1-N 3.34Å; E243-K306 WeakPolarHBondContact OE2-CB 3.33Å; K306-V308 VanDerWaalsContact C-N 3.34Å; K306-K310 WeakPolarHBondContact O-CB 3.41Å; K306-K310 PolarHBondContact O-N 2.73Å |
| 307 | A | 49.8 | Very low | 58.6 | Low | 60 Ų | 60 | 67.9 Ų | 67.9 | 50% | 0.496 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.5 | -33.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R305 N311 | R305-A307 PolarHBondContact O-N 2.93Å; A307-N311 WeakPolarHBondContact O-CB 3.06Å; A307-N311 VanDerWaalsContact O-CG 3.26Å; A307-N311 PolarHBondContact O-N 2.91Å; A307-N311 PolarHBondContact O-ND2 3.39Å; A307-N311 VanDerWaalsContact O-ND2 3.15Å |
| 308 | V | 48.5 | Very low | 57 | Low | 33 Ų | 33 | 69.8 Ų | 69.8 | 20% | 0.2 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -86.4 | -42.6 | 179.2 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | I48 I302 R305 K306 K310 N311 L312 | I48-V308 HydrophobicContact CG2-CG1 4.19Å; I302-V308 HydrophobicContact CG2-CB 4.3Å; I302-V308 HydrophobicContact CG2-CG1 3.59Å; I302-V308 HydrophobicContact CG2-CG2 4.49Å; R305-V308 HydrophobicContact CB-CG2 4.49Å; R305-V308 WeakPolarHBondContact O-CA 3.44Å; R305-V308 PolarHBondContact O-N 2.83Å; K306-V308 VanDerWaalsContact C-N 3.34Å; V308-K310 VanDerWaalsContact C-N 3.31Å; V308-K310 PolarHBondContact O-N 2.9Å; V308-N311 CarbonylContact O-C 3.57Å; V308-N311 PolarHBondContact O-N 3.47Å; V308-N311 VanDerWaalsContact O-N 3.1Å; V308-L312 HydrophobicContact CG1-CD1 3.75Å; V308-L312 HydrophobicContact CG1-CG 4.09Å; V308-L312 WeakPolarHBondContact O-CB 3.27Å; V308-L312 WeakPolarHBondContact O-CG 3.43Å; V308-L312 PolarHBondContact O-N 3.25Å |
| 309 | L | 48.5 | Very low | 55.7 | Low | 83 Ų | 83 | 75 Ų | 75 | 44% | 0.435 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -55.4 | -44.1 | 171.8 | -114.2 | 162.7 | 0 | 0 | 0 | 111.9 | L303 R305 N311 Y313 | L303-L309 WeakPolarHBondContact O-CD1 3.3Å; L303-L309 WeakPolarHBondContact O-CG 3.01Å; R305-L309 PolarHBondContact O-N 2.91Å; R305-L309 VanDerWaalsContact O-N 3.14Å; L309-N311 VanDerWaalsContact C-N 3.34Å; L309-N311 PolarHBondContact O-N 3.04Å; L309-Y313 WeakPolarHBondContact O-CB 3.29Å; L309-Y313 PolarHBondContact O-N 3.4Å |
| 310 | K | 51.8 | Low | 54.3 | Low | 141 Ų | 141 | 77.8 Ų | 77.8 | 61% | 0.613 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.1 | -32.7 | 177.3 | -168.9 | 175.3 | -175.7 | 179.4 | 0 | 112.8 | K306 V308 K314 | K306-K310 WeakPolarHBondContact O-CB 3.41Å; K306-K310 PolarHBondContact O-N 2.73Å; V308-K310 VanDerWaalsContact C-N 3.31Å; V308-K310 PolarHBondContact O-N 2.9Å; K310-K314 VanDerWaalsContact O-CG 3.28Å; K310-K314 WeakPolarHBondContact O-CG 3.45Å; K310-K314 PolarHBondContact O-N 2.88Å |
| 311 | N | 53.3 | Low | 52.8 | Low | 75 Ų | 75 | 80 Ų | 80 | 40% | 0.401 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -80.6 | -41.2 | 177.3 | -76.3 | -17.8 | 0 | 0 | 0 | 112.1 | A307 V308 L309 K314 I315 | A307-N311 WeakPolarHBondContact O-CB 3.06Å; A307-N311 VanDerWaalsContact O-CG 3.26Å; A307-N311 PolarHBondContact O-N 2.91Å; A307-N311 PolarHBondContact O-ND2 3.39Å; A307-N311 VanDerWaalsContact O-ND2 3.15Å; V308-N311 CarbonylContact O-C 3.57Å; V308-N311 PolarHBondContact O-N 3.47Å; V308-N311 VanDerWaalsContact O-N 3.1Å; L309-N311 VanDerWaalsContact C-N 3.34Å; L309-N311 PolarHBondContact O-N 3.04Å; N311-K314 WeakPolarHBondContact O-CB 3.5Å; N311-K314 PolarHBondContact O-N 3.41Å; N311-I315 VanDerWaalsContact O-CG1 3.25Å; N311-I315 WeakPolarHBondContact O-CG1 3.3Å; N311-I315 PolarHBondContact O-N 3.07Å |
| 312 | L | 53.8 | Low | 51.4 | Low | 43 Ų | 43 | 86 Ų | 86 | 23% | 0.225 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 173.5 | -78.4 | 169 | 0 | 0 | 0 | 110.4 | W299 L303 V308 K314 I315 T316 | W299-L312 HydrophobicContact CZ3-CD1 4.47Å; L303-L312 HydrophobicContact CD2-CD1 3.57Å; V308-L312 HydrophobicContact CG1-CD1 3.75Å; V308-L312 HydrophobicContact CG1-CG 4.09Å; V308-L312 WeakPolarHBondContact O-CB 3.27Å; V308-L312 WeakPolarHBondContact O-CG 3.43Å; V308-L312 PolarHBondContact O-N 3.25Å; L312-K314 VanDerWaalsContact C-N 3.27Å; L312-K314 PolarHBondContact O-N 3.27Å; L312-I315 CarbonylContact O-C 3.59Å; L312-I315 WeakPolarHBondContact O-CA 3.25Å; L312-I315 PolarHBondContact O-N 3.41Å; L312-T316 PolarHBondContact O-N 3.25Å; L312-T316 PolarHBondContact O-OG1 3.05Å |
| 313 | Y | 52.1 | Low | 50.2 | Low | 142 Ų | 142 | 92.9 Ų | 92.9 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.1 | -37.2 | 174.3 | -176.9 | -99.7 | 0 | 0 | 0 | 112.7 | L309 T316 R317 | L309-Y313 WeakPolarHBondContact O-CB 3.29Å; L309-Y313 PolarHBondContact O-N 3.4Å; Y313-T316 WeakPolarHBondContact CA-OG1 3.45Å; Y313-T316 PolarHBondContact O-OG1 3.42Å; Y313-R317 WeakPolarHBondContact O-CB 3.17Å; Y313-R317 PolarHBondContact O-N 3.14Å |
| 314 | K | 54 | Low | 49.5 | Very low | 117 Ų | 117 | 97.4 Ų | 97.4 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.7 | -37.3 | 172.8 | -79.7 | 178.6 | 176.6 | -167.2 | 0 | 112.6 | K310 N311 L312 G318 | K310-K314 VanDerWaalsContact O-CG 3.28Å; K310-K314 WeakPolarHBondContact O-CG 3.45Å; K310-K314 PolarHBondContact O-N 2.88Å; N311-K314 WeakPolarHBondContact O-CB 3.5Å; N311-K314 PolarHBondContact O-N 3.41Å; L312-K314 VanDerWaalsContact C-N 3.27Å; L312-K314 PolarHBondContact O-N 3.27Å; K314-G318 PolarHBondContact O-N 3.45Å |
| 315 | I | 55.7 | Low | 49 | Very low | 107 Ų | 107 | 101.7 Ų | 101.7 | 55% | 0.549 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70 | -47.4 | 177.9 | -68.2 | 162.9 | 0 | 0 | 0 | 110.4 | N311 L312 R317 G318 C319 | N311-I315 VanDerWaalsContact O-CG1 3.25Å; N311-I315 WeakPolarHBondContact O-CG1 3.3Å; N311-I315 PolarHBondContact O-N 3.07Å; L312-I315 CarbonylContact O-C 3.59Å; L312-I315 WeakPolarHBondContact O-CA 3.25Å; L312-I315 PolarHBondContact O-N 3.41Å; I315-R317 VanDerWaalsContact C-N 3.31Å; I315-R317 PolarHBondContact O-N 3.26Å; I315-G318 CarbonylContact O-C 3.58Å; I315-G318 WeakPolarHBondContact O-CA 3.36Å; I315-G318 PolarHBondContact O-N 3.49Å; I315-C319 PolarHBondContact O-N 3.07Å; I315-C319 PolarHBondContact O-SG 3.3Å |
| 316 | T | 50.3 | Low | 47.7 | Very low | 88 Ų | 88 | 101.8 Ų | 101.8 | 54% | 0.54 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 175 | 30.1 | 0 | 0 | 0 | 0 | 112 | L312 Y313 G318 C319 C320 | L312-T316 PolarHBondContact O-N 3.25Å; L312-T316 PolarHBondContact O-OG1 3.05Å; Y313-T316 WeakPolarHBondContact CA-OG1 3.45Å; Y313-T316 PolarHBondContact O-OG1 3.42Å; T316-G318 VanDerWaalsContact C-N 3.32Å; T316-C319 PolarHBondContact O-N 3.06Å; T316-C320 PolarHBondContact O-N 3.44Å; T316-C320 VanDerWaalsContact O-N 3.07Å |
| 317 | R | 51.3 | Low | 47.3 | Very low | 143 Ų | 143 | 104.9 Ų | 104.9 | 54% | 0.54 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70.4 | -28.3 | 173 | -160.6 | 172.7 | 178.9 | 174.6 | -2 | 113 | Y313 I315 | Y313-R317 WeakPolarHBondContact O-CB 3.17Å; Y313-R317 PolarHBondContact O-N 3.14Å; I315-R317 VanDerWaalsContact C-N 3.31Å; I315-R317 PolarHBondContact O-N 3.26Å |
| 318 | G | 50 | Low | 46.7 | Very low | 46 Ų | 46 | 110 Ų | 110 | 47% | 0.474 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.8 | -37.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K314 I315 T316 C320 G321 | K314-G318 PolarHBondContact O-N 3.45Å; I315-G318 CarbonylContact O-C 3.58Å; I315-G318 WeakPolarHBondContact O-CA 3.36Å; I315-G318 PolarHBondContact O-N 3.49Å; T316-G318 VanDerWaalsContact C-N 3.32Å; G318-C320 VanDerWaalsContact C-N 3.3Å; G318-C320 PolarHBondContact O-N 2.89Å; G318-G321 PolarHBondContact O-N 3.07Å |
| 319 | C | 50.6 | Low | 46.1 | Very low | 109 Ų | 109 | 114.9 Ų | 114.9 | 74% | 0.736 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.9 | -23.9 | 173.4 | -67.4 | 0 | 0 | 0 | 0 | 113.2 | I315 T316 G321 | I315-C319 PolarHBondContact O-N 3.07Å; I315-C319 PolarHBondContact O-SG 3.3Å; T316-C319 PolarHBondContact O-N 3.06Å; C319-G321 VanDerWaalsContact C-N 3.32Å |
| 320 | C | 50.1 | Low | 45.4 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 78% | 0.777 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 15.9 | 171.3 | -71.8 | 0 | 0 | 0 | 0 | 114.3 | T316 G318 | T316-C320 PolarHBondContact O-N 3.44Å; T316-C320 VanDerWaalsContact O-N 3.07Å; G318-C320 VanDerWaalsContact C-N 3.3Å; G318-C320 PolarHBondContact O-N 2.89Å |
| 321 | G | 45.3 | Very low | 44.7 | Very low | 60 Ų | 60 | 122.3 Ų | 122.3 | 62% | 0.619 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.1 | 55.5 | 167 | 0 | 0 | 0 | 0 | 0 | 115.5 | G318 C319 | G318-G321 PolarHBondContact O-N 3.07Å; C319-G321 VanDerWaalsContact C-N 3.32Å |
| 322 | M | 41.7 | Very low | 44.1 | Very low | 136 Ų | 136 | 125.2 Ų | 125.2 | 67% | 0.67 | 64% | 0.643 | S | S | * | * | trans | -131.2 | 99.7 | 155.4 | -151.7 | 86 | 60.8 | 0 | 0 | 108.9 | I324 | M322-I324 PolarHBondContact O-N 3.34Š| ||
| 323 | H | 38.8 | Very low | 43.3 | Very low | 157 Ų | 157 | 125.8 Ų | 125.8 | 73% | 0.727 | 65% | 0.651 | S | S | * | * | trans | -70.2 | 111.4 | -178.1 | -163.7 | 47.5 | 0 | 0 | 0 | 110.4 | ||||
| 324 | I | 38.4 | Very low | 42.6 | Very low | 159 Ų | 159 | 122.4 Ų | 122.4 | 82% | 0.815 | 65% | 0.648 | S | S | * | * | trans | -134.9 | 83.6 | 151.3 | -59.3 | -178.7 | 0 | 0 | 0 | 107.3 | M322 | M322-I324 PolarHBondContact O-N 3.34Š| ||
| 325 | I | 39.8 | Very low | 42.1 | Very low | 133 Ų | 133 | 121.7 Ų | 121.7 | 68% | 0.682 | 65% | 0.648 | S | S | * | * | trans | -88.6 | 106.9 | 153.7 | -61.7 | -178 | 0 | 0 | 0 | 106.1 | ||||
| 326 | N | 32.1 | Very low | 41.4 | Very low | 96 Ų | 96 | 124.4 Ų | 124.4 | 51% | 0.513 | 66% | 0.656 | S | S | . | * | trans | -156.1 | 95.5 | 135 | -140.1 | -24 | 0 | 0 | 0 | 110.3 | ||||
| 327 | L | 36.6 | Very low | 40.8 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 84% | 0.838 | 66% | 0.658 | S | S | * | * | trans | -117.2 | 40.3 | 174.5 | -145.2 | 115.4 | 0 | 0 | 0 | 111.5 | ||||
| 328 | H | 37.6 | Very low | 40.3 | Very low | 168 Ų | 168 | 122.1 Ų | 122.1 | 78% | 0.778 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -125.5 | -2.1 | 165.4 | -155.1 | -94.2 | 0 | 0 | 0 | 113.4 | ||
| 329 | M | 36.5 | Very low | 39.9 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 67% | 0.665 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -112.6 | -2.4 | -173.8 | -157.1 | 160.1 | 63.3 | 0 | 0 | 114.9 | ||
| 330 | W | 34.4 | Very low | 39.4 | Very low | 216 Ų | 216 | 127.1 Ų | 127.1 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -106.2 | -21.7 | -172.6 | -146.6 | 49 | 0 | 0 | 0 | 115.8 | ||
| 331 | E | 36.4 | Very low | 39.1 | Very low | 163 Ų | 163 | 126.9 Ų | 126.9 | 76% | 0.762 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -78.6 | -25.3 | 175.9 | -80.8 | -165 | 151.9 | 0 | 0 | 113.3 | I335 | E331-I335 WeakPolarHBondContact O-CD1 3.09Å; E331-I335 WeakPolarHBondContact O-CG1 3.37Å |
| 332 | L | 39.9 | Very low | 38.8 | Very low | 137 Ų | 137 | 127.3 Ų | 127.3 | 72% | 0.717 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -82.7 | -29.5 | 179.7 | -99.9 | 91.8 | 0 | 0 | 0 | 114.6 | K336 | L332-K336 VanDerWaalsContact O-CB 3.28Å; L332-K336 WeakPolarHBondContact O-CB 3.44Å; L332-K336 PolarHBondContact O-N 3.35Å |
| 333 | S | 38.2 | Very low | 38.7 | Very low | 55 Ų | 55 | 124.6 Ų | 124.6 | 39% | 0.385 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -80.6 | -33.5 | -177.8 | 57.9 | 0 | 0 | 0 | 0 | 112.8 | N337 | S333-N337 WeakPolarHBondContact O-CB 3.42Å; S333-N337 PolarHBondContact O-N 2.82Å; S333-N337 VanDerWaalsContact O-N 3.16Å |
| 334 | S | 36.3 | Very low | 38.9 | Very low | 70 Ų | 70 | 122.8 Ų | 122.8 | 49% | 0.49 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -71.4 | -39.8 | 176 | -167.3 | 0 | 0 | 0 | 0 | 111.8 | N337 S338 | S334-N337 PolarHBondContact O-N 2.92Å; S334-S338 WeakPolarHBondContact O-CB 3.41Å; S334-S338 PolarHBondContact O-N 2.99Å; S334-S338 PolarHBondContact O-OG 3.46Å |
| 335 | I | 43.7 | Very low | 39 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 52% | 0.523 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -70.6 | -37.2 | 179.3 | -66.7 | 174.5 | 0 | 0 | 0 | 110.9 | E331 S338 L339 | E331-I335 WeakPolarHBondContact O-CD1 3.09Å; E331-I335 WeakPolarHBondContact O-CG1 3.37Å; I335-S338 PolarHBondContact O-N 2.92Å; I335-L339 HydrophobicContact CG2-CD1 3.78Å; I335-L339 WeakPolarHBondContact O-CB 3.17Å; I335-L339 PolarHBondContact O-N 3.36Å |
| 336 | K | 41.5 | Very low | 38.8 | Very low | 164 Ų | 164 | 122.9 Ų | 122.9 | 71% | 0.713 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69 | -33.3 | 177.2 | -156.9 | 175 | -173.7 | -177 | 0 | 112.7 | L332 K340 | L332-K336 VanDerWaalsContact O-CB 3.28Å; L332-K336 WeakPolarHBondContact O-CB 3.44Å; L332-K336 PolarHBondContact O-N 3.35Å; K336-K340 WeakPolarHBondContact O-CB 3.2Å; K336-K340 PolarHBondContact O-N 3.23Å |
| 337 | N | 37.8 | Very low | 38.7 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 57% | 0.572 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -78.1 | -33.7 | 174.9 | -78.8 | -14 | 0 | 0 | 0 | 112.8 | S333 S334 K340 V341 | S333-N337 WeakPolarHBondContact O-CB 3.42Å; S333-N337 PolarHBondContact O-N 2.82Å; S333-N337 VanDerWaalsContact O-N 3.16Å; S334-N337 PolarHBondContact O-N 2.92Å; N337-K340 PolarHBondContact O-N 3.48Å; N337-V341 VanDerWaalsContact O-CG2 3.31Å; N337-V341 WeakPolarHBondContact O-CG2 3.45Å; N337-V341 PolarHBondContact O-N 3.03Å; N337-V341 VanDerWaalsContact O-N 3.16Å |
| 338 | S | 40.5 | Very low | 38.5 | Very low | 77 Ų | 77 | 121.1 Ų | 121.1 | 54% | 0.538 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -71.4 | -35 | 175.1 | -58 | 0 | 0 | 0 | 0 | 113 | S334 I335 A342 | S334-S338 WeakPolarHBondContact O-CB 3.41Å; S334-S338 PolarHBondContact O-N 2.99Å; S334-S338 PolarHBondContact O-OG 3.46Å; I335-S338 PolarHBondContact O-N 2.92Å; S338-A342 WeakPolarHBondContact O-CB 3.08Å; S338-A342 PolarHBondContact O-N 3.13Å; S338-A342 VanDerWaalsContact O-N 3.07Å |
| 339 | L | 41.7 | Very low | 38.2 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 60% | 0.602 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73 | -30.2 | 174 | -87.5 | 153.5 | 0 | 0 | 0 | 113 | I335 A343 | I335-L339 HydrophobicContact CG2-CD1 3.78Å; I335-L339 WeakPolarHBondContact O-CB 3.17Å; I335-L339 PolarHBondContact O-N 3.36Å; L339-A343 WeakPolarHBondContact O-CB 3.37Å; L339-A343 PolarHBondContact O-N 3.32Å; L339-A343 VanDerWaalsContact O-N 3.16Å |
| 340 | K | 40.3 | Very low | 37.9 | Very low | 145 Ų | 145 | 118.8 Ų | 118.8 | 63% | 0.63 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74.6 | -27.7 | 174.9 | -161.2 | 172.2 | -177 | -178.8 | 0 | 112.8 | K336 N337 I344 | K336-K340 WeakPolarHBondContact O-CB 3.2Å; K336-K340 PolarHBondContact O-N 3.23Å; N337-K340 PolarHBondContact O-N 3.48Å; K340-I344 HydrophobicContact CG-CD1 4.48Å; K340-I344 WeakPolarHBondContact O-CD1 3.24Å; K340-I344 VanDerWaalsContact O-CG1 3.27Å; K340-I344 WeakPolarHBondContact O-CG1 3.19Å |
| 341 | V | 44.1 | Very low | 37.7 | Very low | 110 Ų | 110 | 113.4 Ų | 113.4 | 67% | 0.667 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -82.1 | -33.8 | 175.2 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | N337 | N337-V341 VanDerWaalsContact O-CG2 3.31Å; N337-V341 WeakPolarHBondContact O-CG2 3.45Å; N337-V341 PolarHBondContact O-N 3.03Å; N337-V341 VanDerWaalsContact O-N 3.16Å |
| 342 | A | 38.3 | Very low | 37.5 | Very low | 69 Ų | 69 | 115.1 Ų | 115.1 | 57% | 0.57 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72.4 | -30.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S338 I344 | S338-A342 WeakPolarHBondContact O-CB 3.08Å; S338-A342 PolarHBondContact O-N 3.13Å; S338-A342 VanDerWaalsContact O-N 3.07Å; A342-I344 VanDerWaalsContact C-N 3.31Å; A342-I344 PolarHBondContact O-N 3.4Å |
| 343 | A | 39.3 | Very low | 37.1 | Very low | 78 Ų | 78 | 118.1 Ų | 118.1 | 65% | 0.645 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -1.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L339 | L339-A343 WeakPolarHBondContact O-CB 3.37Å; L339-A343 PolarHBondContact O-N 3.32Å; L339-A343 VanDerWaalsContact O-N 3.16Å |
| 344 | I | 44 | Very low | 36.7 | Very low | 119 Ų | 119 | 122.6 Ų | 122.6 | 61% | 0.61 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -9.5 | 178 | -64 | 171 | 0 | 0 | 0 | 111.7 | K340 A342 | K340-I344 HydrophobicContact CG-CD1 4.48Å; K340-I344 WeakPolarHBondContact O-CD1 3.24Å; K340-I344 VanDerWaalsContact O-CG1 3.27Å; K340-I344 WeakPolarHBondContact O-CG1 3.19Å; A342-I344 VanDerWaalsContact C-N 3.31Å; A342-I344 PolarHBondContact O-N 3.4Å |
| 345 | S | 39 | Very low | 36.5 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -92.7 | -2.2 | -178.9 | -168.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 346 | E | 35.6 | Very low | 35.9 | Very low | 189 Ų | 189 | 127.7 Ų | 127.7 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | trans | -122.5 | 75.5 | 170.2 | -73.6 | -167.4 | 173.5 | 0 | 0 | 109.9 | ||||
| 347 | S | 30 | Very low | 35.6 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | trans | -128.8 | 127.1 | 153.8 | 44.4 | 0 | 0 | 0 | 0 | 108.6 | V349 | S347-V349 PolarHBondContact O-N 2.93Š| ||
| 348 | P | 33.9 | Very low | 35.5 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | -71.1 | 126.7 | 179.2 | 27.5 | -29.6 | 0 | 0 | 0 | 109 | S350 | P348-S350 PolarHBondContact O-N 3.35Š| ||
| 349 | V | 31.1 | Very low | 35.1 | Very low | 141 Ų | 141 | 134 Ų | 134 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | -62.4 | 103.3 | 168.3 | 173.3 | 0 | 0 | 0 | 0 | 107.8 | S347 S351 | S347-V349 PolarHBondContact O-N 2.93Å; V349-S351 PolarHBondContact O-N 2.87Å | ||
| 350 | S | 29.6 | Very low | 34.8 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -67.7 | 107.9 | 164.2 | -178 | 0 | 0 | 0 | 0 | 108.3 | P348 K352 | P348-S350 PolarHBondContact O-N 3.35Å; S350-K352 PolarHBondContact O-N 3.02Å | ||
| 351 | S | 30.7 | Very low | 34.6 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 128.1 | 170.9 | 45.5 | 0 | 0 | 0 | 0 | 111.1 | V349 | V349-S351 PolarHBondContact O-N 2.87Š|
| 352 | K | 31.7 | Very low | 34.4 | Very low | 200 Ų | 200 | 134.2 Ų | 134.2 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59 | 131.1 | 169.3 | -81.2 | 176.1 | 172.8 | 178 | 0 | 110.6 | S350 I354 | S350-K352 PolarHBondContact O-N 3.02Å; K352-I354 PolarHBondContact O-N 3.16Å |
| 353 | Q | 30.9 | Very low | 34.3 | Very low | 200 Ų | 200 | 134.4 Ų | 134.4 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 122.2 | 159.9 | -104.6 | 159.2 | -37.4 | 0 | 0 | 110.5 | ||
| 354 | I | 31.1 | Very low | 34 | Very low | 148 Ų | 148 | 144 Ų | 144 | 76% | 0.759 | 82% | 0.824 | S | S | * | * | trans | -118.5 | 113.7 | 153.8 | -65.7 | 176.2 | 0 | 0 | 0 | 105.6 | K352 L356 | K352-I354 PolarHBondContact O-N 3.16Å; I354-L356 PolarHBondContact O-N 3.31Å | ||
| 355 | S | 31.1 | Very low | 33.5 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -63.3 | 120.1 | 171.6 | 46.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 356 | L | 32 | Very low | 33.2 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 86% | 0.859 | 84% | 0.84 | S | S | * | * | trans | -122.7 | 125.1 | 156.4 | -112.4 | 110.7 | 0 | 0 | 0 | 108.3 | I354 | I354-L356 PolarHBondContact O-N 3.31Š| ||
| 357 | Q | 34.7 | Very low | 33.1 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 84% | 0.838 | S | S | * | * | trans | -63 | 154.9 | 173.1 | -80.6 | 177.7 | -38.6 | 0 | 0 | 111.8 | ||||
| 358 | P | 36.2 | Very low | 33.2 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 80% | 0.799 | 85% | 0.85 | S | S | * | * | trans | -83.8 | 134.8 | 179.9 | 32.8 | -30.5 | 0 | 0 | 0 | 111.6 | ||||
| 359 | L | 31.4 | Very low | 33.2 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 90% | 0.901 | 85% | 0.851 | S | S | * | * | trans | -104.2 | 98.3 | 161 | -160.5 | 82.1 | 0 | 0 | 0 | 107.3 | ||||
| 360 | S | 35.8 | Very low | 33.3 | Very low | 111 Ų | 111 | 150.1 Ų | 150.1 | 78% | 0.776 | 85% | 0.851 | S | S | * | * | trans | -97.7 | 119.1 | 163.6 | 54.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 361 | T | 37.1 | Very low | 33.6 | Very low | 121 Ų | 121 | 152.7 Ų | 152.7 | 74% | 0.742 | 86% | 0.855 | S | S | * | * | trans | -62.4 | 133.9 | 173.8 | 37.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 362 | T | 38.2 | Very low | 33.8 | Very low | 142 Ų | 142 | 156.5 Ų | 156.5 | 87% | 0.871 | 87% | 0.865 | S | S | * | * | trans | -6.6 | 139 | 146.5 | 21.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 363 | G | 36.7 | Very low | 34 | Very low | 74 Ų | 74 | 152.9 Ų | 152.9 | 76% | 0.763 | 87% | 0.865 | S | S | * | * | trans | 163.1 | 85.5 | 153 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 364 | Q | 33 | Very low | 34.3 | Very low | 279 Ų | 279 | 148.6 Ų | 148.6 | 100% | 1.304 | 86% | 0.859 | S | S | * | * | trans | 68.5 | 0 | 157.7 | -68.6 | -177.2 | -14.2 | 0 | 0 | 120.4 |
Retrieved 364 of 364 residues in 758.2 ms
(Link to these results)