| 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 | 35.9 | Very low | 42.3 | Very low | 235 Ų | 235 | 155.9 Ų | 155.9 | 100% | 1.158 | 86% | 0.862 | S | S | * | * | 0 | 93.3 | 0 | -59.3 | 177.7 | 73.4 | 0 | 0 | 105.9 | |||||
| 2 | S | 39.1 | Very low | 42.9 | Very low | 115 Ų | 115 | 153.5 Ų | 153.5 | 80% | 0.804 | 86% | 0.859 | S | S | * | * | 53.6 | 117.5 | 101.3 | -49.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 3 | S | 40.8 | Very low | 43.1 | Very low | 121 Ų | 121 | 156.6 Ų | 156.6 | 85% | 0.846 | 85% | 0.849 | S | S | * | * | -165.7 | 149.9 | 62.7 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 4 | A | 41.3 | Very low | 43.1 | Very low | 101 Ų | 101 | 154.1 Ų | 154.1 | 84% | 0.835 | 85% | 0.85 | S | S | * | * | trans | -82.9 | 158.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 5 | S | 45.8 | Very low | 43.3 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 84% | 0.839 | 85% | 0.849 | S | S | * | * | trans | -122.2 | 113.9 | 162 | 61.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 6 | N | 38.6 | Very low | 42.9 | Very low | 173 Ų | 173 | 145.8 Ų | 145.8 | 93% | 0.925 | 84% | 0.843 | S | S | * | * | trans | -66.1 | 136.3 | 172.8 | -87.5 | -38.8 | 0 | 0 | 0 | 112.1 | ||||
| 7 | G | 44.3 | Very low | 42.9 | Very low | 78 Ų | 78 | 145.8 Ų | 145.8 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -143.1 | 90.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 8 | R | 48.3 | Very low | 42.9 | Very low | 245 Ų | 245 | 145.8 Ų | 145.8 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -67.8 | 132.7 | 167.4 | -86 | 176.8 | 167.9 | 174.2 | -3.8 | 109.6 | ||||
| 9 | K | 46.8 | Very low | 43.2 | Very low | 196 Ų | 196 | 147.4 Ų | 147.4 | 85% | 0.852 | 83% | 0.831 | S | S | * | * | trans | -156.8 | 105.5 | 150.4 | -105 | 165.4 | -170.4 | -176.1 | 0 | 111.4 | ||||
| 10 | N | 37.8 | Very low | 43.1 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 84% | 0.84 | 83% | 0.834 | S | S | * | * | trans | 42.5 | 125 | 143.6 | -56.2 | -18.7 | 0 | 0 | 0 | 122.2 | ||||
| 11 | R | 46.9 | Very low | 43.3 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 66% | 0.657 | 83% | 0.829 | S | S | * | * | trans | -66.8 | 159.5 | 164 | -141.8 | -174.9 | -162.8 | 156.9 | 6.8 | 111.3 | R13 | R11-R13 VanDerWaalsContact NH1-NE 3.15Š| ||
| 12 | P | 49.7 | Very low | 43.6 | Very low | 127 Ų | 127 | 141 Ų | 141 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | -127.2 | 138.8 | 109.1 | 21.8 | -6.1 | 0 | 0 | 0 | 112.5 | |||||
| 13 | R | 44.4 | Very low | 44 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | -79.2 | 122.6 | 169.1 | -126.1 | 173.5 | -166.7 | -179.1 | 7.3 | 106 | R11 | R11-R13 VanDerWaalsContact NH1-NE 3.15Š| ||
| 14 | S | 44.1 | Very low | 44.4 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -112.7 | 119.2 | 155.4 | -160 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 15 | A | 46 | Very low | 44.7 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -85.8 | 138.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 16 | G | 37.3 | Very low | 44.8 | Very low | 73 Ų | 73 | 148.6 Ų | 148.6 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 165.3 | 76.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 17 | N | 42 | Very low | 45.4 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | 39.4 | 131.3 | 135.7 | -134.2 | 5.6 | 0 | 0 | 0 | 120.5 | ||||
| 18 | I | 42.2 | Very low | 45.3 | Very low | 147 Ų | 147 | 149 Ų | 149 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | 150 | 121.2 | 128.4 | -73 | 153.2 | 0 | 0 | 0 | 110.1 | Q20 | I18-Q20 PolarHBondContact O-N 3.4Š| |||
| 19 | F | 49.1 | Very low | 45.6 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 77% | 0.772 | 74% | 0.742 | S | S | * | * | trans | -32.7 | 121.9 | 169.5 | -71.1 | -100.8 | 0 | 0 | 0 | 114.2 | I21 | F19-I21 HydrophobicContact CB-CD1 4.4Å; F19-I21 HydrophobicContact CD1-CD1 4.13Å | ||
| 20 | Q | 42.3 | Very low | 45.9 | Very low | 189 Ų | 189 | 138.7 Ų | 138.7 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | trans | -111.5 | 92.9 | 151.1 | -70.4 | -162 | 12.4 | 0 | 0 | 108.3 | I18 G22 | I18-Q20 PolarHBondContact O-N 3.4Å; Q20-G22 VanDerWaalsContact C-N 3.27Å; Q20-G22 PolarHBondContact O-N 3.39Å | ||
| 21 | I | 45.8 | Very low | 46.7 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | trans | -57.6 | 99.8 | 152.4 | -84.2 | 105.9 | 0 | 0 | 0 | 106 | F19 K23 | F19-I21 HydrophobicContact CB-CD1 4.4Å; F19-I21 HydrophobicContact CD1-CD1 4.13Å; I21-K23 PolarHBondContact O-N 3.05Å | ||
| 22 | G | 42.1 | Very low | 47.1 | Very low | 64 Ų | 64 | 139.3 Ų | 139.3 | 66% | 0.66 | 73% | 0.726 | S | S | * | * | trans | -64.2 | 121.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q20 | Q20-G22 VanDerWaalsContact C-N 3.27Å; Q20-G22 PolarHBondContact O-N 3.39Å | ||
| 23 | K | 49.2 | Very low | 47.4 | Very low | 195 Ų | 195 | 140 Ų | 140 | 85% | 0.848 | 72% | 0.718 | S | S | * | * | trans | -45.6 | 138.3 | 174 | -71.8 | 171.8 | 175.1 | 175.7 | 0 | 110.3 | I21 | I21-K23 PolarHBondContact O-N 3.05Š| ||
| 24 | P | 47.9 | Very low | 48.2 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 71% | 0.714 | 71% | 0.707 | S | S | * | * | trans | -59.9 | 148 | 172 | 27 | -32.5 | 0 | 0 | 0 | 108.9 | Y26 | P24-Y26 PolarHBondContact O-N 3.22Š| ||
| 25 | P | 47.8 | Very low | 49.3 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | trans | -57.1 | 119 | 170.7 | 24.8 | -31.4 | 0 | 0 | 0 | 107 | R27 | P25-R27 PolarHBondContact O-N 3.1Š| ||
| 26 | Y | 47.7 | Very low | 50.5 | Low | 197 Ų | 197 | 130.2 Ų | 130.2 | 77% | 0.773 | 66% | 0.663 | S | S | * | * | trans | -59.8 | 93.8 | 170.4 | -173.8 | -93.4 | 0 | 0 | 0 | 106.6 | P24 D28 | P24-Y26 PolarHBondContact O-N 3.22Å; Y26-D28 PolarHBondContact O-N 3.05Å; Y26-D28 VanDerWaalsContact O-N 3.1Å | ||
| 27 | R | 51.1 | Low | 52.2 | Low | 172 Ų | 172 | 129.8 Ų | 129.8 | 65% | 0.649 | 65% | 0.649 | S | S | * | * | trans | -72.8 | 103.7 | 171.4 | -86.1 | -164.9 | 179.1 | -169.2 | 5.1 | 105.6 | P25 P29 R32 | P25-R27 PolarHBondContact O-N 3.1Å; R27-P29 WeakPolarHBondContact O-CD 3.31Å; R27-R32 VanDerWaalsContact NH1-CZ 3.3Å | ||
| 28 | D | 43.5 | Very low | 53.8 | Low | 88 Ų | 88 | 125.7 Ų | 125.7 | 47% | 0.471 | 63% | 0.629 | S | S | . | * | trans | -40.4 | 105.7 | 174.9 | -152.2 | -23.7 | 0 | 0 | 0 | 110.9 | Y26 Q30 | Y26-D28 PolarHBondContact O-N 3.05Å; Y26-D28 VanDerWaalsContact O-N 3.1Å; D28-Q30 PolarHBondContact O-N 2.8Å | ||
| 29 | P | 54.5 | Low | 55.6 | Low | 71 Ų | 71 | 125.2 Ų | 125.2 | 46% | 0.461 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -60.6 | -32.6 | -177.7 | -22.2 | 32.9 | 0 | 0 | 0 | 111.5 | R27 R31 R32 E33 | R27-P29 WeakPolarHBondContact O-CD 3.31Å; P29-R31 PolarHBondContact O-N 2.82Å; P29-R32 PolarHBondContact O-N 2.87Å; P29-E33 PolarHBondContact O-N 3.23Å; P29-E33 VanDerWaalsContact O-N 3.16Å |
| 30 | Q | 52.2 | Low | 57.2 | Low | 153 Ų | 153 | 122.8 Ų | 122.8 | 72% | 0.715 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.9 | -33.7 | -171.2 | -161 | 160.9 | -9 | 0 | 0 | 112.9 | D28 S34 | D28-Q30 PolarHBondContact O-N 2.8Å; Q30-S34 PolarHBondContact O-N 2.89Å |
| 31 | R | 54.1 | Low | 59.1 | Low | 200 Ų | 200 | 114.7 Ų | 114.7 | 76% | 0.755 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.4 | -33.3 | 176.4 | -173.7 | -179.3 | -81.3 | -148.1 | -2.1 | 112.5 | P29 T35 | P29-R31 PolarHBondContact O-N 2.82Å; R31-T35 PolarHBondContact O-OG1 3.49Å |
| 32 | R | 55.2 | Low | 61 | Low | 144 Ų | 144 | 113.9 Ų | 113.9 | 54% | 0.543 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -75.3 | -37.6 | 177.4 | -67.9 | -155.6 | -153.2 | 167.6 | 20.1 | 112.2 | R27 P29 T35 E36 | R27-R32 VanDerWaalsContact NH1-CZ 3.3Å; P29-R32 PolarHBondContact O-N 2.87Å; R32-T35 PolarHBondContact O-N 3.26Å; R32-T35 PolarHBondContact O-OG1 3.24Å; R32-E36 PolarHBondContact O-N 3.3Å; R32-E36 VanDerWaalsContact O-N 3.13Å |
| 33 | E | 57.3 | Low | 63.3 | Low | 142 Ų | 142 | 116.9 Ų | 116.9 | 66% | 0.664 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.8 | -40.1 | -178.3 | -159.3 | 161.1 | -149.3 | 0 | 0 | 111.7 | P29 T35 E36 S37 | P29-E33 PolarHBondContact O-N 3.23Å; P29-E33 VanDerWaalsContact O-N 3.16Å; E33-T35 PolarHBondContact O-N 3.26Å; E33-E36 PolarHBondContact O-N 2.89Å; E33-S37 PolarHBondContact O-N 2.82Å; E33-S37 PolarHBondContact O-OG 2.85Å |
| 34 | S | 60.2 | Low | 65.3 | Low | 71 Ų | 71 | 109.2 Ų | 109.2 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 173 | 178.1 | 0 | 0 | 0 | 0 | 113.1 | Q30 S37 T38 | Q30-S34 PolarHBondContact O-N 2.89Å; S34-S37 PolarHBondContact O-OG 2.86Å; S34-T38 PolarHBondContact O-N 3.34Å; S34-T38 PolarHBondContact O-OG1 3.49Å |
| 35 | T | 67.3 | Low | 67.4 | Low | 73 Ų | 73 | 104.8 Ų | 104.8 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.7 | -30.3 | 177.1 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | R31 R32 E33 R39 | R31-T35 PolarHBondContact O-OG1 3.49Å; R32-T35 PolarHBondContact O-N 3.26Å; R32-T35 PolarHBondContact O-OG1 3.24Å; E33-T35 PolarHBondContact O-N 3.26Å; T35-R39 VanDerWaalsContact O-CG 3.32Å; T35-R39 WeakPolarHBondContact O-CG 3.34Å; T35-R39 PolarHBondContact O-N 3.45Å |
| 36 | E | 71.3 | Confident | 69.6 | Low | 67 Ų | 67 | 101.6 Ų | 101.6 | 31% | 0.313 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -79.3 | -36.6 | 178.9 | -173.9 | 55.3 | -146.1 | 0 | 0 | 111.6 | R32 E33 R39 K40 R43 | R32-E36 PolarHBondContact O-N 3.3Å; R32-E36 VanDerWaalsContact O-N 3.13Å; E33-E36 PolarHBondContact O-N 2.89Å; E36-R39 PolarHBondContact O-N 3.36Å; E36-K40 HydrophobicContact CG-CD 4.34Å; E36-K40 WeakPolarHBondContact O-CB 3.31Å; E36-K40 WeakPolarHBondContact O-CG 3.37Å; E36-K40 PolarHBondContact O-N 3.17Å; E36-K40 WeakPolarHBondContact OE1-CE 3.34Å; E36-R43 IonicContact OE1-NH1 2.68Å; E36-R43 PolarHBondContact OE1-NH1 3.1Å |
| 37 | S | 72.3 | Confident | 71.8 | Confident | 65 Ų | 65 | 96 Ų | 96 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 174.5 | 65.3 | 0 | 0 | 0 | 0 | 111.9 | E33 S34 R39 K40 A41 | E33-S37 PolarHBondContact O-N 2.82Å; E33-S37 PolarHBondContact O-OG 2.85Å; S34-S37 PolarHBondContact O-OG 2.86Å; S37-R39 PolarHBondContact O-N 3.3Å; S37-K40 PolarHBondContact O-N 3.07Å; S37-A41 WeakPolarHBondContact O-CB 3.41Å; S37-A41 PolarHBondContact O-N 3.19Å |
| 38 | T | 76.4 | Confident | 74 | Confident | 60 Ų | 60 | 87.8 Ų | 87.8 | 37% | 0.368 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 175.1 | -53.5 | 0 | 0 | 0 | 0 | 112.1 | S34 A41 Q42 | S34-T38 PolarHBondContact O-N 3.34Å; S34-T38 PolarHBondContact O-OG1 3.49Å; T38-A41 PolarHBondContact O-N 3.18Å; T38-Q42 WeakPolarHBondContact O-CG 3.41Å; T38-Q42 PolarHBondContact O-N 3.27Å |
| 39 | R | 80.3 | Confident | 76.5 | Confident | 136 Ų | 136 | 88.6 Ų | 88.6 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 177.1 | -73.5 | 173 | -179.2 | 174.5 | -0.3 | 112.1 | T35 E36 S37 Q42 R43 | T35-R39 VanDerWaalsContact O-CG 3.32Å; T35-R39 WeakPolarHBondContact O-CG 3.34Å; T35-R39 PolarHBondContact O-N 3.45Å; E36-R39 PolarHBondContact O-N 3.36Å; S37-R39 PolarHBondContact O-N 3.3Å; R39-Q42 PolarHBondContact O-N 3.09Å; R39-R43 WeakPolarHBondContact O-CG 3.33Å; R39-R43 PolarHBondContact O-N 2.79Å |
| 40 | K | 82.9 | Confident | 78.6 | Confident | 126 Ų | 126 | 90.9 Ų | 90.9 | 55% | 0.548 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 174.7 | -74.6 | 174.1 | 177.7 | 178.4 | 0 | 111.7 | E36 S37 Q42 R43 A44 | E36-K40 HydrophobicContact CG-CD 4.34Å; E36-K40 WeakPolarHBondContact O-CB 3.31Å; E36-K40 WeakPolarHBondContact O-CG 3.37Å; E36-K40 PolarHBondContact O-N 3.17Å; E36-K40 WeakPolarHBondContact OE1-CE 3.34Å; S37-K40 PolarHBondContact O-N 3.07Å; K40-Q42 VanDerWaalsContact C-N 3.35Å; K40-Q42 PolarHBondContact O-N 3.08Å; K40-R43 PolarHBondContact O-N 3.18Å; K40-A44 PolarHBondContact O-N 3.23Å |
| 41 | A | 82.6 | Confident | 80.8 | Confident | 18 Ų | 18 | 85.5 Ų | 85.5 | 15% | 0.149 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S37 T38 R43 A44 V45 W108 | S37-A41 WeakPolarHBondContact O-CB 3.41Å; S37-A41 PolarHBondContact O-N 3.19Å; T38-A41 PolarHBondContact O-N 3.18Å; A41-R43 PolarHBondContact O-N 3.44Å; A41-A44 PolarHBondContact O-N 3.06Å; A41-V45 WeakPolarHBondContact O-CG2 3.47Å; A41-V45 PolarHBondContact O-N 3.45Å; A41-W108 HydrophobicContact CB-CZ2 4.28Å |
| 42 | Q | 85.4 | Confident | 82.9 | Confident | 126 Ų | 126 | 76 Ų | 76 | 59% | 0.589 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 175.9 | -76 | 176.7 | -15.5 | 0 | 0 | 112.9 | T38 R39 K40 V45 A46 | T38-Q42 WeakPolarHBondContact O-CG 3.41Å; T38-Q42 PolarHBondContact O-N 3.27Å; R39-Q42 PolarHBondContact O-N 3.09Å; K40-Q42 VanDerWaalsContact C-N 3.35Å; K40-Q42 PolarHBondContact O-N 3.08Å; Q42-V45 PolarHBondContact O-N 3.36Å; Q42-A46 PolarHBondContact O-N 2.96Å |
| 43 | R | 90.1 | Very high | 85 | Confident | 128 Ų | 128 | 73.7 Ų | 73.7 | 48% | 0.483 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 174.2 | -70.1 | 178.1 | -156.3 | 118.1 | -2.9 | 111.1 | E36 R39 K40 A41 V45 A46 D47 | E36-R43 IonicContact OE1-NH1 2.68Å; E36-R43 PolarHBondContact OE1-NH1 3.1Å; R39-R43 WeakPolarHBondContact O-CG 3.33Å; R39-R43 PolarHBondContact O-N 2.79Å; K40-R43 PolarHBondContact O-N 3.18Å; A41-R43 PolarHBondContact O-N 3.44Å; R43-V45 VanDerWaalsContact C-N 3.31Å; R43-V45 PolarHBondContact O-N 3.22Å; R43-A46 WeakPolarHBondContact O-CA 3.5Å; R43-A46 WeakPolarHBondContact O-CB 3.48Å; R43-A46 PolarHBondContact O-N 3.08Å; R43-D47 VanDerWaalsContact O-CG 3.3Å; R43-D47 PolarHBondContact O-N 3.19Å |
| 44 | A | 90.6 | Very high | 86.9 | Confident | 34 Ų | 34 | 70.7 Ų | 70.7 | 28% | 0.281 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.9 | -42 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K40 A41 A46 D47 C48 I104 | K40-A44 PolarHBondContact O-N 3.23Å; A41-A44 PolarHBondContact O-N 3.06Å; A44-A46 VanDerWaalsContact C-N 3.35Å; A44-A46 PolarHBondContact O-N 2.86Å; A44-D47 PolarHBondContact O-N 3.23Å; A44-C48 WeakPolarHBondContact O-CB 3.47Å; A44-C48 PolarHBondContact O-N 3.22Å; A44-I104 HydrophobicContact CB-CD1 4.22Å; A44-I104 HydrophobicContact CB-CG1 3.89Å; A44-I104 WeakPolarHBondContact O-CD1 3.5Å |
| 45 | V | 91.9 | Very high | 88.8 | Confident | 17 Ų | 17 | 67.3 Ų | 67.3 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 174.2 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | A41 Q42 R43 R49 I104 E117 I118 L121 | A41-V45 WeakPolarHBondContact O-CG2 3.47Å; A41-V45 PolarHBondContact O-N 3.45Å; Q42-V45 PolarHBondContact O-N 3.36Å; R43-V45 VanDerWaalsContact C-N 3.31Å; R43-V45 PolarHBondContact O-N 3.22Å; V45-R49 PolarHBondContact O-N 3.17Å; V45-I104 HydrophobicContact CG2-CD1 4.42Å; V45-I104 HydrophobicContact CG2-CG2 3.73Å; V45-E117 HydrophobicContact CG1-CG 4.31Å; V45-I118 HydrophobicContact CG2-CG1 4.43Å; V45-L121 HydrophobicContact CG1-CD1 4.23Å |
| 46 | A | 94 | Very high | 90.2 | Very high | 45 Ų | 45 | 66.2 Ų | 66.2 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q42 R43 A44 R49 M50 | Q42-A46 PolarHBondContact O-N 2.96Å; R43-A46 WeakPolarHBondContact O-CA 3.5Å; R43-A46 WeakPolarHBondContact O-CB 3.48Å; R43-A46 PolarHBondContact O-N 3.08Å; A44-A46 VanDerWaalsContact C-N 3.35Å; A44-A46 PolarHBondContact O-N 2.86Å; A46-R49 WeakPolarHBondContact O-CB 3.37Å; A46-R49 PolarHBondContact O-N 3.27Å; A46-M50 WeakPolarHBondContact O-CG 3.4Å; A46-M50 PolarHBondContact O-N 3.21Å; A46-M50 VanDerWaalsContact O-N 3.12Å |
| 47 | D | 94.9 | Very high | 91.5 | Very high | 80 Ų | 80 | 66.2 Ų | 66.2 | 43% | 0.428 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 176.5 | -64 | -25.2 | 0 | 0 | 0 | 111 | R43 A44 R49 M50 I51 | R43-D47 VanDerWaalsContact O-CG 3.3Å; R43-D47 PolarHBondContact O-N 3.19Å; A44-D47 PolarHBondContact O-N 3.23Å; D47-R49 VanDerWaalsContact C-N 3.31Å; D47-R49 PolarHBondContact O-N 2.89Å; D47-M50 HydrophobicContact CB-CE 4.49Å; D47-M50 WeakPolarHBondContact O-CB 3.49Å; D47-M50 PolarHBondContact O-N 3.23Å; D47-M50 WeakPolarHBondContact OD1-CE 3.47Å; D47-I51 WeakPolarHBondContact O-CG1 3.45Å; D47-I51 PolarHBondContact O-N 3.46Å |
| 48 | C | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.3 | -43.9 | 175.7 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | A44 M50 I51 V52 S100 L101 I104 L121 | A44-C48 WeakPolarHBondContact O-CB 3.47Å; A44-C48 PolarHBondContact O-N 3.22Å; C48-M50 VanDerWaalsContact C-N 3.31Å; C48-M50 PolarHBondContact O-N 3.26Å; C48-I51 PolarHBondContact O-N 3.49Å; C48-V52 WeakPolarHBondContact O-CG2 3.46Å; C48-V52 PolarHBondContact O-N 2.89Å; C48-S100 VanDerWaalsContact CB-OG 3.28Å; C48-S100 WeakPolarHBondContact CB-OG 3.5Å; C48-L101 VanDerWaalsContact SG-CD2 3.58Å; C48-L101 WeakPolarHBondContact SG-CG 3.39Å; C48-I104 HydrophobicContact CB-CD1 3.43Å; C48-I104 VanDerWaalsContact CB-CD1 3.43Å; C48-L121 HydrophobicContact CB-CD1 4.37Å |
| 49 | R | 97.3 | Very high | 93.9 | Very high | 105 Ų | 105 | 61.3 Ų | 61.3 | 40% | 0.396 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.1 | -44.4 | 174.4 | 179.4 | -162.6 | -56.3 | -71.2 | -5.3 | 111.9 | V45 A46 D47 I51 V52 Q53 E117 L121 | V45-R49 PolarHBondContact O-N 3.17Å; A46-R49 WeakPolarHBondContact O-CB 3.37Å; A46-R49 PolarHBondContact O-N 3.27Å; D47-R49 VanDerWaalsContact C-N 3.31Å; D47-R49 PolarHBondContact O-N 2.89Å; R49-I51 VanDerWaalsContact C-N 3.33Å; R49-I51 PolarHBondContact O-N 3.45Å; R49-V52 PolarHBondContact O-N 3.23Å; R49-Q53 WeakPolarHBondContact O-CB 3.48Å; R49-Q53 PolarHBondContact O-N 3.02Å; R49-E117 IonicContact CZ-OE1 3.52Å; R49-E117 IonicContact NH1-OE1 2.67Å; R49-E117 PolarHBondContact NH1-OE1 3.2Å; R49-E117 IonicContact NH2-OE1 3.44Å; R49-E117 PolarHBondContact NH2-OE1 3.49Å; R49-L121 HydrophobicContact CB-CD2 4.03Å; R49-L121 HydrophobicContact CG-CD2 4.36Å |
| 50 | M | 97.9 | Very high | 94.7 | Very high | 119 Ų | 119 | 57.2 Ų | 57.2 | 59% | 0.586 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.6 | -43.9 | 178.7 | -67 | -168.4 | -65.2 | 0 | 0 | 111.2 | A46 D47 C48 Q53 E54 | A46-M50 WeakPolarHBondContact O-CG 3.4Å; A46-M50 PolarHBondContact O-N 3.21Å; A46-M50 VanDerWaalsContact O-N 3.12Å; D47-M50 HydrophobicContact CB-CE 4.49Å; D47-M50 WeakPolarHBondContact O-CB 3.49Å; D47-M50 PolarHBondContact O-N 3.23Å; D47-M50 WeakPolarHBondContact OD1-CE 3.47Å; C48-M50 VanDerWaalsContact C-N 3.31Å; C48-M50 PolarHBondContact O-N 3.26Å; M50-Q53 PolarHBondContact O-N 3.36Å; M50-E54 WeakPolarHBondContact O-CB 3.46Å; M50-E54 PolarHBondContact O-N 2.69Å |
| 51 | I | 98.3 | Very high | 95.5 | Very high | 39 Ų | 39 | 55.5 Ų | 55.5 | 20% | 0.2 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.8 | -46 | 178.7 | -59.9 | 168.6 | 0 | 0 | 0 | 110.9 | D47 C48 R49 Q53 E54 F55 M93 A96 A97 | D47-I51 WeakPolarHBondContact O-CG1 3.45Å; D47-I51 PolarHBondContact O-N 3.46Å; C48-I51 PolarHBondContact O-N 3.49Å; R49-I51 VanDerWaalsContact C-N 3.33Å; R49-I51 PolarHBondContact O-N 3.45Å; I51-Q53 VanDerWaalsContact C-N 3.32Å; I51-Q53 PolarHBondContact O-N 3.28Å; I51-E54 PolarHBondContact O-N 2.94Å; I51-F55 WeakPolarHBondContact O-CB 3.26Å; I51-F55 PolarHBondContact O-N 3.11Å; I51-M93 HydrophobicContact CB-CE 4.14Å; I51-M93 HydrophobicContact CG1-CE 4.43Å; I51-M93 HydrophobicContact CG2-CE 3.62Å; I51-A96 HydrophobicContact CG2-CB 4Å; I51-A97 HydrophobicContact CG2-CB 3.77Å |
| 52 | V | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 177.3 | 173 | 0 | 0 | 0 | 0 | 111.2 | C48 R49 F55 N56 A97 L121 Q124 L125 | C48-V52 WeakPolarHBondContact O-CG2 3.46Å; C48-V52 PolarHBondContact O-N 2.89Å; R49-V52 PolarHBondContact O-N 3.23Å; V52-F55 PolarHBondContact O-N 3.47Å; V52-N56 WeakPolarHBondContact O-CB 3.28Å; V52-N56 PolarHBondContact O-N 3.14Å; V52-A97 HydrophobicContact CG2-CB 3.94Å; V52-L121 HydrophobicContact CB-CD2 4.43Å; V52-L121 HydrophobicContact CG2-CD2 4.35Å; V52-Q124 HydrophobicContact CG1-CB 4.08Å; V52-Q124 HydrophobicContact CG1-CG 3.64Å; V52-L125 HydrophobicContact CG2-CB 4.45Å |
| 53 | Q | 98.3 | Very high | 96.9 | Very high | 97 Ų | 97 | 54.8 Ų | 54.8 | 45% | 0.453 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 178.6 | -176.6 | 62.6 | 14.2 | 0 | 0 | 112.6 | R49 M50 I51 N56 T57 | R49-Q53 WeakPolarHBondContact O-CB 3.48Å; R49-Q53 PolarHBondContact O-N 3.02Å; M50-Q53 PolarHBondContact O-N 3.36Å; I51-Q53 VanDerWaalsContact C-N 3.32Å; I51-Q53 PolarHBondContact O-N 3.28Å; Q53-N56 PolarHBondContact O-N 3.18Å; Q53-T57 PolarHBondContact O-N 3.41Å; Q53-T57 PolarHBondContact O-OG1 3.11Å |
| 54 | E | 98.5 | Very high | 97.3 | Very high | 78 Ų | 78 | 54.1 Ų | 54.1 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 175.3 | -178.5 | 172.1 | -172.9 | 0 | 0 | 110.9 | M50 I51 N56 T57 L58 K89 M93 | M50-E54 WeakPolarHBondContact O-CB 3.46Å; M50-E54 PolarHBondContact O-N 2.69Å; I51-E54 PolarHBondContact O-N 2.94Å; E54-N56 PolarHBondContact O-N 2.97Å; E54-T57 WeakPolarHBondContact O-CB 3.49Å; E54-T57 PolarHBondContact O-N 3.34Å; E54-L58 WeakPolarHBondContact O-CG 3.38Å; E54-L58 PolarHBondContact O-N 3.06Å; E54-K89 WeakPolarHBondContact OE1-CE 3.41Å; E54-K89 IonicContact OE1-NZ 3.91Å; E54-K89 PolarHBondContact OE1-NZ 2.95Å; E54-M93 HydrophobicContact CB-CE 3.73Å; E54-M93 HydrophobicContact CG-CE 3.75Å; E54-M93 WeakPolarHBondContact OE2-CE 3.5Å |
| 55 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.2 | -47.8 | 171.8 | 177.2 | -125.9 | 0 | 0 | 0 | 111.7 | I51 V52 T57 L58 V59 G90 M93 A94 L125 C128 L129 Y132 | I51-F55 WeakPolarHBondContact O-CB 3.26Å; I51-F55 PolarHBondContact O-N 3.11Å; V52-F55 PolarHBondContact O-N 3.47Å; F55-T57 PolarHBondContact O-N 3.06Å; F55-L58 WeakPolarHBondContact O-CA 3.48Å; F55-L58 WeakPolarHBondContact O-CB 3.34Å; F55-L58 PolarHBondContact O-N 2.77Å; F55-V59 HydrophobicContact CD2-CG2 4.21Å; F55-V59 HydrophobicContact CE1-CG2 4.13Å; F55-V59 HydrophobicContact CE2-CG2 3.75Å; F55-V59 HydrophobicContact CZ-CG2 3.7Å; F55-V59 WeakPolarHBondContact O-CG2 3.45Å; F55-V59 PolarHBondContact O-N 2.87Å; F55-G90 WeakPolarHBondContact CD2-O 3.5Å; F55-G90 WeakPolarHBondContact CE2-O 3.22Å; F55-M93 HydrophobicContact CB-CB 4.04Å; F55-M93 HydrophobicContact CD2-CB 4.34Å; F55-A94 HydrophobicContact CD1-CB 4.5Å; F55-A94 HydrophobicContact CD2-CB 4.06Å; F55-A94 HydrophobicContact CE1-CB 4.16Å; F55-A94 HydrophobicContact CE2-CB 3.73Å; F55-A94 HydrophobicContact CG-CB 4.45Å; F55-A94 HydrophobicContact CZ-CB 3.78Å; F55-L125 HydrophobicContact CD1-CD1 3.76Å; F55-L125 HydrophobicContact CE1-CD1 3.98Å; F55-C128 HydrophobicContact CD1-CB 3.68Å; F55-C128 HydrophobicContact CE1-CB 3.45Å; F55-C128 VanDerWaalsContact CE1-CB 3.45Å; F55-C128 HydrophobicContact CZ-CB 4.47Å; F55-L129 HydrophobicContact CE1-CD2 4.35Å; F55-L129 HydrophobicContact CE1-CG 4.12Å; F55-L129 HydrophobicContact CZ-CD2 4.15Å; F55-L129 HydrophobicContact CZ-CG 4.4Å; F55-Y132 AromaticContact CE2-CD1 3.72Å; F55-Y132 HydrophobicContact CE2-CD1 3.72Å; F55-Y132 AromaticContact CE2-CE1 3.98Å; F55-Y132 HydrophobicContact CE2-CE1 3.98Å; F55-Y132 HydrophobicContact CE2-CG 4.12Å; F55-Y132 AromaticContact CZ-CD1 3.72Å; F55-Y132 HydrophobicContact CZ-CD1 3.72Å; F55-Y132 HydrophobicContact CZ-CE1 4.42Å; F55-Y132 HydrophobicContact CZ-CG 4.01Å |
| 56 | N | 98.4 | Very high | 97.9 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.9 | -38.9 | 176.8 | -173.1 | 16.5 | 0 | 0 | 0 | 112.3 | V52 Q53 E54 V59 A60 | V52-N56 WeakPolarHBondContact O-CB 3.28Å; V52-N56 PolarHBondContact O-N 3.14Å; Q53-N56 PolarHBondContact O-N 3.18Å; E54-N56 PolarHBondContact O-N 2.97Å; N56-V59 PolarHBondContact O-N 2.76Å; N56-A60 PolarHBondContact O-N 3.41Å |
| 57 | T | 98.6 | Very high | 98 | Very high | 68 Ų | 68 | 54.2 Ų | 54.2 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 175.4 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | Q53 E54 F55 V59 A60 L61 | Q53-T57 PolarHBondContact O-N 3.41Å; Q53-T57 PolarHBondContact O-OG1 3.11Å; E54-T57 WeakPolarHBondContact O-CB 3.49Å; E54-T57 PolarHBondContact O-N 3.34Å; F55-T57 PolarHBondContact O-N 3.06Å; T57-V59 VanDerWaalsContact C-N 3.35Å; T57-A60 PolarHBondContact O-N 3.25Å; T57-L61 HydrophobicContact CG2-CD1 4.25Å; T57-L61 WeakPolarHBondContact O-CG 3.4Å; T57-L61 PolarHBondContact O-N 3.25Å |
| 58 | L | 98.8 | Very high | 98.1 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 174.7 | -68.1 | 165.4 | 0 | 0 | 0 | 112.3 | E54 F55 A60 L61 Y62 T86 K89 M93 | E54-L58 WeakPolarHBondContact O-CG 3.38Å; E54-L58 PolarHBondContact O-N 3.06Å; F55-L58 WeakPolarHBondContact O-CA 3.48Å; F55-L58 WeakPolarHBondContact O-CB 3.34Å; F55-L58 PolarHBondContact O-N 2.77Å; L58-A60 VanDerWaalsContact C-N 3.34Å; L58-L61 HydrophobicContact CD2-CD1 4.49Å; L58-L61 PolarHBondContact O-N 2.94Å; L58-Y62 VanDerWaalsContact O-CB 3.26Å; L58-Y62 WeakPolarHBondContact O-CB 3.43Å; L58-Y62 PolarHBondContact O-N 2.94Å; L58-T86 HydrophobicContact CD2-CG2 4.16Å; L58-K89 HydrophobicContact CD1-CB 4.22Å; L58-K89 HydrophobicContact CD1-CD 4.06Å; L58-K89 HydrophobicContact CD1-CG 3.76Å; L58-K89 HydrophobicContact CD2-CB 4.42Å; L58-K89 HydrophobicContact CD2-CD 4.03Å; L58-K89 HydrophobicContact CD2-CG 4.36Å; L58-M93 HydrophobicContact CD1-CB 4.14Å; L58-M93 HydrophobicContact CD1-CG 3.72Å |
| 59 | V | 98.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 52.5 Ų | 52.5 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -43.9 | 173.2 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | F55 N56 T57 Y62 R63 M131 Y132 | F55-V59 HydrophobicContact CD2-CG2 4.21Å; F55-V59 HydrophobicContact CE1-CG2 4.13Å; F55-V59 HydrophobicContact CE2-CG2 3.75Å; F55-V59 HydrophobicContact CZ-CG2 3.7Å; F55-V59 WeakPolarHBondContact O-CG2 3.45Å; F55-V59 PolarHBondContact O-N 2.87Å; N56-V59 PolarHBondContact O-N 2.76Å; T57-V59 VanDerWaalsContact C-N 3.35Å; V59-Y62 PolarHBondContact O-N 2.88Å; V59-R63 WeakPolarHBondContact O-CB 3.48Å; V59-R63 PolarHBondContact O-N 3.45Å; V59-M131 HydrophobicContact CG1-CB 4.1Å; V59-Y132 HydrophobicContact CB-CD2 4.45Å; V59-Y132 HydrophobicContact CG1-CD2 4.46Å; V59-Y132 HydrophobicContact CG2-CD2 3.89Å; V59-Y132 HydrophobicContact CG2-CG 3.93Å |
| 60 | A | 98.7 | Very high | 97.5 | Very high | 51 Ų | 51 | 50 Ų | 50 | 42% | 0.421 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | N56 T57 L58 Y62 R63 E64 | N56-A60 PolarHBondContact O-N 3.41Å; T57-A60 PolarHBondContact O-N 3.25Å; L58-A60 VanDerWaalsContact C-N 3.34Å; A60-Y62 VanDerWaalsContact C-N 3.34Å; A60-Y62 PolarHBondContact O-N 2.86Å; A60-R63 WeakPolarHBondContact O-CB 3.26Å; A60-R63 PolarHBondContact O-N 2.89Å; A60-E64 PolarHBondContact O-N 3.48Å; A60-E64 VanDerWaalsContact O-N 3.08Å |
| 61 | L | 98.7 | Very high | 97.1 | Very high | 90 Ų | 90 | 51.3 Ų | 51.3 | 47% | 0.471 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 176.6 | -71 | 172 | 0 | 0 | 0 | 111.9 | T57 L58 R63 E64 L65 T86 | T57-L61 HydrophobicContact CG2-CD1 4.25Å; T57-L61 WeakPolarHBondContact O-CG 3.4Å; T57-L61 PolarHBondContact O-N 3.25Å; L58-L61 HydrophobicContact CD2-CD1 4.49Å; L58-L61 PolarHBondContact O-N 2.94Å; L61-R63 VanDerWaalsContact C-N 3.3Å; L61-R63 PolarHBondContact O-N 3.43Å; L61-E64 PolarHBondContact O-N 3.2Å; L61-L65 WeakPolarHBondContact O-CG 3.28Å; L61-L65 PolarHBondContact O-N 3.42Å; L61-T86 HydrophobicContact CB-CG2 4.13Å |
| 62 | Y | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -40 | 178 | -169.8 | -109.1 | 0 | 0 | 0 | 111.3 | L58 V59 A60 E64 L65 V66 M83 T86 R87 Y132 E135 M136 S139 | L58-Y62 VanDerWaalsContact O-CB 3.26Å; L58-Y62 WeakPolarHBondContact O-CB 3.43Å; L58-Y62 PolarHBondContact O-N 2.94Å; V59-Y62 PolarHBondContact O-N 2.88Å; A60-Y62 VanDerWaalsContact C-N 3.34Å; A60-Y62 PolarHBondContact O-N 2.86Å; Y62-E64 PolarHBondContact O-N 3.44Å; Y62-L65 WeakPolarHBondContact O-CB 3.27Å; Y62-L65 PolarHBondContact O-N 3.29Å; Y62-V66 HydrophobicContact CD1-CG2 4.08Å; Y62-V66 HydrophobicContact CE1-CG2 3.87Å; Y62-V66 VanDerWaalsContact O-CG2 3.3Å; Y62-V66 WeakPolarHBondContact O-CG2 3.49Å; Y62-V66 PolarHBondContact O-N 2.83Å; Y62-M83 HydrophobicContact CE2-CB 4.34Å; Y62-M83 HydrophobicContact CE2-CE 3.92Å; Y62-T86 HydrophobicContact CD2-CG2 4.32Å; Y62-R87 HydrophobicContact CD2-CB 4.4Å; Y62-R87 HydrophobicContact CE2-CB 3.93Å; Y62-R87 HydrophobicContact CE2-CG 4.39Å; Y62-Y132 HydrophobicContact CD1-CD2 4.14Å; Y62-Y132 AromaticContact CD1-CE2 3.8Å; Y62-Y132 HydrophobicContact CD1-CE2 3.8Å; Y62-Y132 HydrophobicContact CE1-CE2 4.37Å; Y62-Y132 AromaticContact CG-CE2 3.93Å; Y62-Y132 HydrophobicContact CG-CE2 3.93Å; Y62-E135 HydrophobicContact CD1-CB 3.91Å; Y62-E135 HydrophobicContact CE1-CB 4.22Å; Y62-M136 HydrophobicContact CE1-CG 4.01Å; Y62-S139 PolarHBondContact OH-OG 3.43Å |
| 63 | R | 98.6 | Very high | 95.4 | Very high | 129 Ų | 129 | 58.3 Ų | 58.3 | 49% | 0.487 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 173.7 | 179.2 | 175.7 | 173.5 | 178.7 | -1.3 | 112.5 | V59 A60 L61 L65 V66 I67 E135 | V59-R63 WeakPolarHBondContact O-CB 3.48Å; V59-R63 PolarHBondContact O-N 3.45Å; A60-R63 WeakPolarHBondContact O-CB 3.26Å; A60-R63 PolarHBondContact O-N 2.89Å; L61-R63 VanDerWaalsContact C-N 3.3Å; L61-R63 PolarHBondContact O-N 3.43Å; R63-L65 VanDerWaalsContact C-N 3.3Å; R63-L65 PolarHBondContact O-N 3.26Å; R63-V66 WeakPolarHBondContact O-CB 3.3Å; R63-V66 PolarHBondContact O-N 3.42Å; R63-I67 HydrophobicContact CG-CD1 4.16Å; R63-I67 WeakPolarHBondContact O-CG1 3.47Å; R63-I67 PolarHBondContact O-N 2.89Å; R63-E135 HydrophobicContact CB-CG 4.12Å; R63-E135 HydrophobicContact CG-CG 4.43Å |
| 64 | E | 98.4 | Very high | 94.4 | Very high | 113 Ų | 113 | 58.5 Ų | 58.5 | 53% | 0.528 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 176.1 | -66 | -56 | 130.7 | 0 | 0 | 111.9 | A60 L61 Y62 I67 S68 | A60-E64 PolarHBondContact O-N 3.48Å; A60-E64 VanDerWaalsContact O-N 3.08Å; L61-E64 PolarHBondContact O-N 3.2Å; Y62-E64 PolarHBondContact O-N 3.44Å; E64-I67 PolarHBondContact O-N 3.02Å; E64-S68 PolarHBondContact O-N 2.91Å; E64-S68 PolarHBondContact O-OG 3.48Å |
| 65 | L | 97.8 | Very high | 93.6 | Very high | 27 Ų | 27 | 56.7 Ų | 56.7 | 14% | 0.141 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 173.9 | -61.9 | 169.9 | 0 | 0 | 0 | 111.6 | L61 Y62 R63 S68 I69 L79 D82 M83 T86 | L61-L65 WeakPolarHBondContact O-CG 3.28Å; L61-L65 PolarHBondContact O-N 3.42Å; Y62-L65 WeakPolarHBondContact O-CB 3.27Å; Y62-L65 PolarHBondContact O-N 3.29Å; R63-L65 VanDerWaalsContact C-N 3.3Å; R63-L65 PolarHBondContact O-N 3.26Å; L65-S68 WeakPolarHBondContact O-CB 3.43Å; L65-S68 PolarHBondContact O-N 3.2Å; L65-I69 PolarHBondContact O-N 3.04Å; L65-I69 VanDerWaalsContact O-N 3.1Å; L65-L79 HydrophobicContact CB-CD1 4.21Å; L65-L79 HydrophobicContact CD2-CD1 3.66Å; L65-D82 HydrophobicContact CD1-CB 4.33Å; L65-D82 HydrophobicContact CD2-CB 4.09Å; L65-M83 HydrophobicContact CB-CG 3.71Å; L65-M83 HydrophobicContact CD1-CG 4.1Å; L65-M83 HydrophobicContact CG-CG 4.43Å; L65-T86 HydrophobicContact CD1-CG2 4.33Å; L65-T86 WeakPolarHBondContact CD1-OG1 3.16Å |
| 66 | V | 97.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 175.4 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | Y62 R63 S68 I69 G70 M83 K138 L142 | Y62-V66 HydrophobicContact CD1-CG2 4.08Å; Y62-V66 HydrophobicContact CE1-CG2 3.87Å; Y62-V66 VanDerWaalsContact O-CG2 3.3Å; Y62-V66 WeakPolarHBondContact O-CG2 3.49Å; Y62-V66 PolarHBondContact O-N 2.83Å; R63-V66 WeakPolarHBondContact O-CB 3.3Å; R63-V66 PolarHBondContact O-N 3.42Å; V66-S68 VanDerWaalsContact C-N 3.3Å; V66-S68 PolarHBondContact O-N 3.14Å; V66-I69 WeakPolarHBondContact O-CB 3.33Å; V66-I69 PolarHBondContact O-N 3.45Å; V66-G70 PolarHBondContact O-N 3.41Å; V66-M83 HydrophobicContact CG2-CE 4.18Å; V66-K138 HydrophobicContact CG1-CB 3.93Å; V66-L142 HydrophobicContact CG1-CD1 3.87Å; V66-L142 WeakPolarHBondContact O-CD1 3.48Å |
| 67 | I | 96.8 | Very high | 92.7 | Very high | 68 Ų | 68 | 59.7 Ų | 59.7 | 35% | 0.349 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 172.5 | -68 | 165.1 | 0 | 0 | 0 | 109.8 | R63 E64 I69 G70 E71 | R63-I67 HydrophobicContact CG-CD1 4.16Å; R63-I67 WeakPolarHBondContact O-CG1 3.47Å; R63-I67 PolarHBondContact O-N 2.89Å; E64-I67 PolarHBondContact O-N 3.02Å; I67-I69 VanDerWaalsContact C-N 3.25Å; I67-I69 PolarHBondContact O-N 3.41Å; I67-G70 WeakPolarHBondContact O-CA 3.32Å; I67-G70 PolarHBondContact O-N 3.21Å; I67-E71 PolarHBondContact O-N 2.69Å |
| 68 | S | 96 | Very high | 92.4 | Very high | 40 Ų | 40 | 61.1 Ų | 61.1 | 28% | 0.28 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.4 | -32.7 | 178.9 | -55.1 | 0 | 0 | 0 | 0 | 112.9 | E64 L65 V66 G70 E71 I72 | E64-S68 PolarHBondContact O-N 2.91Å; E64-S68 PolarHBondContact O-OG 3.48Å; L65-S68 WeakPolarHBondContact O-CB 3.43Å; L65-S68 PolarHBondContact O-N 3.2Å; V66-S68 VanDerWaalsContact C-N 3.3Å; V66-S68 PolarHBondContact O-N 3.14Å; S68-G70 VanDerWaalsContact C-N 3.29Å; S68-G70 PolarHBondContact O-N 3.25Å; S68-E71 PolarHBondContact O-N 3.34Å; S68-I72 PolarHBondContact O-N 3.03Å |
| 69 | I | 93.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 172.4 | -57.1 | 167.6 | 0 | 0 | 0 | 110.8 | L65 V66 I67 E71 I72 L79 M83 L142 L143 L146 | L65-I69 PolarHBondContact O-N 3.04Å; L65-I69 VanDerWaalsContact O-N 3.1Å; V66-I69 WeakPolarHBondContact O-CB 3.33Å; V66-I69 PolarHBondContact O-N 3.45Å; I67-I69 VanDerWaalsContact C-N 3.25Å; I67-I69 PolarHBondContact O-N 3.41Å; I69-E71 PolarHBondContact O-N 3.13Å; I69-I72 VanDerWaalsContact O-CG1 3.31Å; I69-I72 WeakPolarHBondContact O-CG1 3.48Å; I69-L79 HydrophobicContact CG1-CD2 3.91Å; I69-M83 HydrophobicContact CD1-CE 3.32Å; I69-M83 HydrophobicContact CD1-SD 3.28Å; I69-M83 WeakPolarHBondContact CD1-SD 3.46Å; I69-M83 HydrophobicContact CG1-CE 4.34Å; I69-M83 HydrophobicContact CG1-SD 3.7Å; I69-L142 HydrophobicContact CB-CB 4.33Å; I69-L142 HydrophobicContact CB-CD1 4.33Å; I69-L142 HydrophobicContact CG2-CB 3.71Å; I69-L143 HydrophobicContact CD1-CD2 4.18Å; I69-L143 HydrophobicContact CD1-CG 4.08Å; I69-L143 HydrophobicContact CG2-CD2 4.27Å; I69-L146 HydrophobicContact CG2-CD1 3.68Å |
| 70 | G | 89.2 | Confident | 92 | Very high | 53 Ų | 53 | 62.3 Ų | 62.3 | 55% | 0.546 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.6 | -18.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | V66 I67 S68 | V66-G70 PolarHBondContact O-N 3.41Å; I67-G70 WeakPolarHBondContact O-CA 3.32Å; I67-G70 PolarHBondContact O-N 3.21Å; S68-G70 VanDerWaalsContact C-N 3.29Å; S68-G70 PolarHBondContact O-N 3.25Å |
| 71 | E | 88.9 | Confident | 91.8 | Very high | 146 Ų | 146 | 62.5 Ų | 62.5 | 68% | 0.682 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -90.2 | -25 | 179.8 | -65.7 | -179.4 | 174.3 | 0 | 0 | 113 | I67 S68 I69 | I67-E71 PolarHBondContact O-N 2.69Å; S68-E71 PolarHBondContact O-N 3.34Å; I69-E71 PolarHBondContact O-N 3.13Å |
| 72 | I | 84.4 | Confident | 91.8 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 28% | 0.282 | 35% | 0.353 | S | S | . | . | trans | -88 | 142 | -179.4 | 62.8 | 178 | 0 | 0 | 0 | 111.8 | S68 I69 V74 C76 L79 | S68-I72 PolarHBondContact O-N 3.03Å; I69-I72 VanDerWaalsContact O-CG1 3.31Å; I69-I72 WeakPolarHBondContact O-CG1 3.48Å; I72-V74 WeakPolarHBondContact CD1-O 3.34Å; I72-C76 HydrophobicContact CD1-CB 3.76Å; I72-L79 HydrophobicContact CD1-CD2 3.63Å | ||
| 73 | T | 76.9 | Confident | 91.7 | Very high | 131 Ų | 131 | 62.3 Ų | 62.3 | 80% | 0.804 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -97.2 | -8.5 | 178 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 74 | V | 77.7 | Confident | 91.7 | Very high | 101 Ų | 101 | 59.4 Ų | 59.4 | 61% | 0.612 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -135.5 | 153 | -177.6 | -62.6 | 0 | 0 | 0 | 0 | 110 | I72 | I72-V74 WeakPolarHBondContact CD1-O 3.34Š|
| 75 | D | 80.9 | Confident | 91.7 | Very high | 40 Ų | 40 | 61.4 Ų | 61.4 | 21% | 0.214 | 35% | 0.354 | C | S | . | . | trans | -59.7 | 139.7 | 177.3 | -176.7 | 39.1 | 0 | 0 | 0 | 111.5 | R80 L186 | D75-R80 WeakPolarHBondContact OD1-CD 3.42Å; D75-R80 IonicContact OD1-CZ 3.92Å; D75-R80 IonicContact OD1-NE 3.1Å; D75-R80 PolarHBondContact OD1-NE 2.99Å; D75-R80 IonicContact OD2-CZ 2.89Å; D75-R80 IonicContact OD2-NE 2.69Å; D75-R80 PolarHBondContact OD2-NE 2.88Å; D75-R80 VanDerWaalsContact OD2-NE 3.14Å; D75-R80 IonicContact OD2-NH2 3.55Å; D75-R80 PolarHBondContact OD2-NH2 3.08Å; D75-L186 HydrophobicContact CB-CD2 4.17Å; D75-L186 WeakPolarHBondContact OD2-CG 3.46Å | ||
| 76 | C | 88.2 | Confident | 91.7 | Very high | 38 Ų | 38 | 61.1 Ų | 61.1 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | trans | -126.9 | 100.6 | -179 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | I72 T78 L79 R80 | I72-C76 HydrophobicContact CD1-CB 3.76Å; C76-T78 VanDerWaalsContact C-N 3.28Å; C76-T78 PolarHBondContact O-N 2.64Å; C76-T78 PolarHBondContact SG-OG1 3.43Å; C76-L79 HydrophobicContact CB-CB 3.91Å; C76-L79 PolarHBondContact O-N 2.94Å; C76-R80 PolarHBondContact O-N 3.01Å; C76-R80 VanDerWaalsContact O-N 3.08Å | ||
| 77 | P | 89.3 | Confident | 91.8 | Very high | 74 Ų | 74 | 61.3 Ų | 61.3 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.4 | -33.2 | -176.5 | -27.2 | 35.5 | 0 | 0 | 0 | 114.3 | R80 A81 L186 | P77-R80 PolarHBondContact O-N 3.34Å; P77-A81 WeakPolarHBondContact O-CB 3.35Å; P77-A81 PolarHBondContact O-N 3.45Å; P77-L186 HydrophobicContact CG-CD1 4.42Å |
| 78 | T | 92.6 | Very high | 91.9 | Very high | 99 Ų | 99 | 60.7 Ų | 60.7 | 61% | 0.607 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67.4 | -43.4 | 177 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | C76 R80 A81 D82 | C76-T78 VanDerWaalsContact C-N 3.28Å; C76-T78 PolarHBondContact O-N 2.64Å; C76-T78 PolarHBondContact SG-OG1 3.43Å; T78-R80 VanDerWaalsContact C-N 3.34Å; T78-R80 PolarHBondContact O-N 3.14Å; T78-A81 WeakPolarHBondContact O-CB 3.46Å; T78-A81 PolarHBondContact O-N 3.32Å; T78-D82 PolarHBondContact O-N 3.48Å |
| 79 | L | 94.4 | Very high | 92 | Very high | 21 Ų | 21 | 63 Ų | 63 | 11% | 0.11 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 173.8 | 179.3 | 64.2 | 0 | 0 | 0 | 111 | L65 I69 I72 C76 A81 D82 M83 | L65-L79 HydrophobicContact CB-CD1 4.21Å; L65-L79 HydrophobicContact CD2-CD1 3.66Å; I69-L79 HydrophobicContact CG1-CD2 3.91Å; I72-L79 HydrophobicContact CD1-CD2 3.63Å; C76-L79 HydrophobicContact CB-CB 3.91Å; C76-L79 PolarHBondContact O-N 2.94Å; L79-A81 VanDerWaalsContact C-N 3.32Å; L79-A81 PolarHBondContact O-N 3.06Å; L79-D82 PolarHBondContact O-N 2.96Å; L79-M83 HydrophobicContact CG-SD 4.46Å; L79-M83 WeakPolarHBondContact O-CB 3.49Å; L79-M83 VanDerWaalsContact O-CG 3.28Å; L79-M83 WeakPolarHBondContact O-CG 3.45Å; L79-M83 PolarHBondContact O-N 3.1Å |
| 80 | R | 94.4 | Very high | 92.3 | Very high | 25 Ų | 25 | 62.8 Ų | 62.8 | 9% | 0.094 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 176.4 | -69.8 | -164.6 | -69.8 | 108.5 | -3.3 | 112.5 | D75 C76 P77 T78 M83 L84 L143 D193 | D75-R80 WeakPolarHBondContact OD1-CD 3.42Å; D75-R80 IonicContact OD1-CZ 3.92Å; D75-R80 IonicContact OD1-NE 3.1Å; D75-R80 PolarHBondContact OD1-NE 2.99Å; D75-R80 IonicContact OD2-CZ 2.89Å; D75-R80 IonicContact OD2-NE 2.69Å; D75-R80 PolarHBondContact OD2-NE 2.88Å; D75-R80 VanDerWaalsContact OD2-NE 3.14Å; D75-R80 IonicContact OD2-NH2 3.55Å; D75-R80 PolarHBondContact OD2-NH2 3.08Å; C76-R80 PolarHBondContact O-N 3.01Å; C76-R80 VanDerWaalsContact O-N 3.08Å; P77-R80 PolarHBondContact O-N 3.34Å; T78-R80 VanDerWaalsContact C-N 3.34Å; T78-R80 PolarHBondContact O-N 3.14Å; R80-M83 WeakPolarHBondContact O-CB 3.14Å; R80-M83 PolarHBondContact O-N 3.47Å; R80-L84 WeakPolarHBondContact O-CB 3.38Å; R80-L84 PolarHBondContact O-N 3.46Å; R80-L143 HydrophobicContact CG-CD2 4.48Å; R80-D193 WeakPolarHBondContact CD-OD2 3.45Å; R80-D193 IonicContact CZ-OD2 2.69Å; R80-D193 IonicContact NE-OD2 3.45Å; R80-D193 IonicContact NH1-OD2 3.66Å; R80-D193 PolarHBondContact NH1-OD2 3.24Å |
| 81 | A | 95.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 60.4 Ų | 60.4 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P77 T78 L79 M83 L84 K85 | P77-A81 WeakPolarHBondContact O-CB 3.35Å; P77-A81 PolarHBondContact O-N 3.45Å; T78-A81 WeakPolarHBondContact O-CB 3.46Å; T78-A81 PolarHBondContact O-N 3.32Å; L79-A81 VanDerWaalsContact C-N 3.32Å; L79-A81 PolarHBondContact O-N 3.06Å; A81-M83 VanDerWaalsContact C-N 3.35Å; A81-L84 PolarHBondContact O-N 3.48Å; A81-K85 WeakPolarHBondContact O-CB 3.1Å; A81-K85 PolarHBondContact O-N 3.38Å |
| 82 | D | 97.8 | Very high | 93.2 | Very high | 81 Ų | 81 | 58.1 Ų | 58.1 | 43% | 0.433 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66 | -38.5 | 176.4 | -74.9 | -26.8 | 0 | 0 | 0 | 112 | L65 T78 L79 K85 T86 | L65-D82 HydrophobicContact CD1-CB 4.33Å; L65-D82 HydrophobicContact CD2-CB 4.09Å; T78-D82 PolarHBondContact O-N 3.48Å; L79-D82 PolarHBondContact O-N 2.96Å; D82-K85 PolarHBondContact O-N 3.32Å; D82-T86 VanDerWaalsContact O-CB 3.26Å; D82-T86 WeakPolarHBondContact O-CB 3.4Å; D82-T86 PolarHBondContact O-N 3.25Å; D82-T86 PolarHBondContact O-OG1 2.67Å |
| 83 | M | 97.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.02 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 172.2 | -76 | -175.7 | 75.6 | 0 | 0 | 112 | Y62 L65 V66 I69 L79 R80 A81 K85 T86 R87 | Y62-M83 HydrophobicContact CE2-CB 4.34Å; Y62-M83 HydrophobicContact CE2-CE 3.92Å; L65-M83 HydrophobicContact CB-CG 3.71Å; L65-M83 HydrophobicContact CD1-CG 4.1Å; L65-M83 HydrophobicContact CG-CG 4.43Å; V66-M83 HydrophobicContact CG2-CE 4.18Å; I69-M83 HydrophobicContact CD1-CE 3.32Å; I69-M83 HydrophobicContact CD1-SD 3.28Å; I69-M83 WeakPolarHBondContact CD1-SD 3.46Å; I69-M83 HydrophobicContact CG1-CE 4.34Å; I69-M83 HydrophobicContact CG1-SD 3.7Å; L79-M83 HydrophobicContact CG-SD 4.46Å; L79-M83 WeakPolarHBondContact O-CB 3.49Å; L79-M83 VanDerWaalsContact O-CG 3.28Å; L79-M83 WeakPolarHBondContact O-CG 3.45Å; L79-M83 PolarHBondContact O-N 3.1Å; R80-M83 WeakPolarHBondContact O-CB 3.14Å; R80-M83 PolarHBondContact O-N 3.47Å; A81-M83 VanDerWaalsContact C-N 3.35Å; M83-K85 PolarHBondContact O-N 3.22Å; M83-T86 PolarHBondContact O-N 2.93Å; M83-R87 WeakPolarHBondContact O-CB 3.47Å; M83-R87 PolarHBondContact O-N 3.48Å |
| 84 | L | 97.9 | Very high | 94.9 | Very high | 68 Ų | 68 | 50.5 Ų | 50.5 | 36% | 0.356 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58 | -49.7 | 176.7 | 171.7 | 62.7 | 0 | 0 | 0 | 110.8 | R80 A81 T86 R87 T88 | R80-L84 WeakPolarHBondContact O-CB 3.38Å; R80-L84 PolarHBondContact O-N 3.46Å; A81-L84 PolarHBondContact O-N 3.48Å; L84-T86 PolarHBondContact O-N 2.82Å; L84-R87 PolarHBondContact O-N 3.44Å; L84-T88 WeakPolarHBondContact O-CB 3.42Å; L84-T88 PolarHBondContact O-N 3.26Å; L84-T88 PolarHBondContact O-OG1 3.08Å |
| 85 | K | 98.4 | Very high | 95.9 | Very high | 155 Ų | 155 | 51 Ų | 51 | 67% | 0.674 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.4 | -48.8 | 179.8 | -179.6 | -178.4 | 176.9 | -175.6 | 0 | 111.7 | A81 D82 M83 R87 K89 | A81-K85 WeakPolarHBondContact O-CB 3.1Å; A81-K85 PolarHBondContact O-N 3.38Å; D82-K85 PolarHBondContact O-N 3.32Å; M83-K85 PolarHBondContact O-N 3.22Å; K85-R87 VanDerWaalsContact C-N 3.32Å; K85-K89 PolarHBondContact O-N 3.35Å |
| 86 | T | 98.7 | Very high | 96.7 | Very high | 21 Ų | 21 | 50.7 Ų | 50.7 | 13% | 0.129 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 179.1 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | L58 L61 Y62 L65 D82 M83 L84 G90 | L58-T86 HydrophobicContact CD2-CG2 4.16Å; L61-T86 HydrophobicContact CB-CG2 4.13Å; Y62-T86 HydrophobicContact CD2-CG2 4.32Å; L65-T86 HydrophobicContact CD1-CG2 4.33Å; L65-T86 WeakPolarHBondContact CD1-OG1 3.16Å; D82-T86 VanDerWaalsContact O-CB 3.26Å; D82-T86 WeakPolarHBondContact O-CB 3.4Å; D82-T86 PolarHBondContact O-N 3.25Å; D82-T86 PolarHBondContact O-OG1 2.67Å; M83-T86 PolarHBondContact O-N 2.93Å; L84-T86 PolarHBondContact O-N 2.82Å; T86-G90 PolarHBondContact O-N 2.91Å |
| 87 | R | 98.6 | Very high | 97.2 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -50.8 | -179.1 | -172.2 | -174.4 | 75.6 | -129.4 | 1.1 | 112.2 | Y62 M83 L84 K85 K89 G90 C91 Y132 M136 D200 | Y62-R87 HydrophobicContact CD2-CB 4.4Å; Y62-R87 HydrophobicContact CE2-CB 3.93Å; Y62-R87 HydrophobicContact CE2-CG 4.39Å; M83-R87 WeakPolarHBondContact O-CB 3.47Å; M83-R87 PolarHBondContact O-N 3.48Å; L84-R87 PolarHBondContact O-N 3.44Å; K85-R87 VanDerWaalsContact C-N 3.32Å; R87-K89 VanDerWaalsContact C-N 3.34Å; R87-K89 PolarHBondContact O-N 3.39Å; R87-G90 PolarHBondContact O-N 3.48Å; R87-G90 VanDerWaalsContact O-N 3.13Å; R87-C91 PolarHBondContact O-N 3.45Å; R87-C91 PolarHBondContact O-SG 3.17Å; R87-Y132 WeakPolarHBondContact CA-OH 3.43Å; R87-Y132 PolarHBondContact O-OH 3.5Å; R87-M136 HydrophobicContact CG-CE 3.7Å; R87-D200 IonicContact CZ-OD2 3.14Å; R87-D200 IonicContact NE-OD2 3.69Å; R87-D200 PolarHBondContact NE-OD2 2.92Å; R87-D200 IonicContact NH2-OD2 2.65Å; R87-D200 PolarHBondContact NH2-OD2 3.35Å |
| 88 | T | 98.6 | Very high | 97.6 | Very high | 55 Ų | 55 | 46.3 Ų | 46.3 | 34% | 0.337 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.7 | -48.6 | 179.4 | -61.7 | 0 | 0 | 0 | 0 | 110.7 | L84 G90 C91 E92 | L84-T88 WeakPolarHBondContact O-CB 3.42Å; L84-T88 PolarHBondContact O-N 3.26Å; L84-T88 PolarHBondContact O-OG1 3.08Å; T88-G90 VanDerWaalsContact C-N 3.34Å; T88-G90 PolarHBondContact O-N 2.9Å; T88-C91 PolarHBondContact O-N 3.36Å; T88-E92 WeakPolarHBondContact O-CG 3.41Å; T88-E92 PolarHBondContact O-N 2.95Å |
| 89 | K | 98.8 | Very high | 97.7 | Very high | 88 Ų | 88 | 47.3 Ų | 47.3 | 38% | 0.383 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.7 | -40.5 | 176.3 | -167.3 | 179.8 | 173.8 | -171.8 | 0 | 111.7 | E54 L58 K85 R87 C91 E92 M93 | E54-K89 WeakPolarHBondContact OE1-CE 3.41Å; E54-K89 IonicContact OE1-NZ 3.91Å; E54-K89 PolarHBondContact OE1-NZ 2.95Å; L58-K89 HydrophobicContact CD1-CB 4.22Å; L58-K89 HydrophobicContact CD1-CD 4.06Å; L58-K89 HydrophobicContact CD1-CG 3.76Å; L58-K89 HydrophobicContact CD2-CB 4.42Å; L58-K89 HydrophobicContact CD2-CD 4.03Å; L58-K89 HydrophobicContact CD2-CG 4.36Å; K85-K89 PolarHBondContact O-N 3.35Å; R87-K89 VanDerWaalsContact C-N 3.34Å; R87-K89 PolarHBondContact O-N 3.39Å; K89-C91 PolarHBondContact O-N 2.9Å; K89-E92 PolarHBondContact O-N 2.92Å; K89-M93 HydrophobicContact CG-CG 4.3Å; K89-M93 WeakPolarHBondContact O-CB 3.2Å; K89-M93 VanDerWaalsContact O-CG 3.28Å; K89-M93 WeakPolarHBondContact O-CG 3.42Å; K89-M93 PolarHBondContact O-N 3Å |
| 90 | G | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.9 | -45 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F55 T86 R87 T88 E92 M93 A94 | F55-G90 WeakPolarHBondContact CD2-O 3.5Å; F55-G90 WeakPolarHBondContact CE2-O 3.22Å; T86-G90 PolarHBondContact O-N 2.91Å; R87-G90 PolarHBondContact O-N 3.48Å; R87-G90 VanDerWaalsContact O-N 3.13Å; T88-G90 VanDerWaalsContact C-N 3.34Å; T88-G90 PolarHBondContact O-N 2.9Å; G90-E92 PolarHBondContact O-N 3.29Å; G90-M93 PolarHBondContact O-N 2.85Å; G90-A94 WeakPolarHBondContact O-CB 3.39Å; G90-A94 PolarHBondContact O-N 3Å |
| 91 | C | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -39.7 | 176.5 | -67.9 | 0 | 0 | 0 | 0 | 112.5 | R87 T88 K89 R95 M204 | R87-C91 PolarHBondContact O-N 3.45Å; R87-C91 PolarHBondContact O-SG 3.17Å; T88-C91 PolarHBondContact O-N 3.36Å; K89-C91 PolarHBondContact O-N 2.9Å; C91-R95 WeakPolarHBondContact O-CG 3.42Å; C91-R95 PolarHBondContact O-N 3.44Å; C91-R95 PolarHBondContact O-NE 3.29Å; C91-M204 HydrophobicContact CB-CE 3.98Å; C91-M204 HydrophobicContact CB-SD 4.41Å |
| 92 | E | 98.6 | Very high | 97.5 | Very high | 98 Ų | 98 | 45.5 Ų | 45.5 | 46% | 0.458 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.4 | -48.4 | 175.4 | -71.5 | 169.9 | 179.4 | 0 | 0 | 111.8 | T88 K89 G90 A94 R95 A96 | T88-E92 WeakPolarHBondContact O-CG 3.41Å; T88-E92 PolarHBondContact O-N 2.95Å; K89-E92 PolarHBondContact O-N 2.92Å; G90-E92 PolarHBondContact O-N 3.29Å; E92-A94 PolarHBondContact O-N 2.9Å; E92-R95 PolarHBondContact O-N 3Å; E92-A96 WeakPolarHBondContact O-CB 3.46Å; E92-A96 PolarHBondContact O-N 3.47Å |
| 93 | M | 98.6 | Very high | 97.1 | Very high | 26 Ų | 26 | 48 Ų | 48 | 13% | 0.128 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.1 | -38.2 | -179.3 | -68 | -56.9 | -69 | 0 | 0 | 112.4 | I51 E54 F55 L58 K89 G90 A96 A97 | I51-M93 HydrophobicContact CB-CE 4.14Å; I51-M93 HydrophobicContact CG1-CE 4.43Å; I51-M93 HydrophobicContact CG2-CE 3.62Å; E54-M93 HydrophobicContact CB-CE 3.73Å; E54-M93 HydrophobicContact CG-CE 3.75Å; E54-M93 WeakPolarHBondContact OE2-CE 3.5Å; F55-M93 HydrophobicContact CB-CB 4.04Å; F55-M93 HydrophobicContact CD2-CB 4.34Å; L58-M93 HydrophobicContact CD1-CB 4.14Å; L58-M93 HydrophobicContact CD1-CG 3.72Å; K89-M93 HydrophobicContact CG-CG 4.3Å; K89-M93 WeakPolarHBondContact O-CB 3.2Å; K89-M93 VanDerWaalsContact O-CG 3.28Å; K89-M93 WeakPolarHBondContact O-CG 3.42Å; K89-M93 PolarHBondContact O-N 3Å; G90-M93 PolarHBondContact O-N 2.85Å; M93-A96 PolarHBondContact O-N 3.29Å; M93-A97 VanDerWaalsContact O-CB 3.32Å; M93-A97 WeakPolarHBondContact O-CB 3.39Å; M93-A97 PolarHBondContact O-N 2.8Å |
| 94 | A | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -46.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F55 G90 E92 A97 H98 L129 M204 L207 | F55-A94 HydrophobicContact CD1-CB 4.5Å; F55-A94 HydrophobicContact CD2-CB 4.06Å; F55-A94 HydrophobicContact CE1-CB 4.16Å; F55-A94 HydrophobicContact CE2-CB 3.73Å; F55-A94 HydrophobicContact CG-CB 4.45Å; F55-A94 HydrophobicContact CZ-CB 3.78Å; G90-A94 WeakPolarHBondContact O-CB 3.39Å; G90-A94 PolarHBondContact O-N 3Å; E92-A94 PolarHBondContact O-N 2.9Å; A94-A97 PolarHBondContact O-N 3.36Å; A94-H98 PolarHBondContact O-N 3.46Å; A94-L129 HydrophobicContact CB-CD2 4.04Å; A94-M204 HydrophobicContact CB-SD 3.86Å; A94-L207 HydrophobicContact CB-CD2 3.93Å |
| 95 | R | 98.6 | Very high | 95.9 | Very high | 112 Ų | 112 | 47 Ų | 47 | 42% | 0.423 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.7 | -76.5 | -176 | -91.2 | 109.1 | -6.4 | 111.4 | C91 E92 H98 Q99 L207 | C91-R95 WeakPolarHBondContact O-CG 3.42Å; C91-R95 PolarHBondContact O-N 3.44Å; C91-R95 PolarHBondContact O-NE 3.29Å; E92-R95 PolarHBondContact O-N 3Å; R95-H98 PolarHBondContact O-N 3.18Å; R95-Q99 WeakPolarHBondContact O-CB 3.29Å; R95-Q99 VanDerWaalsContact O-CG 3.26Å; R95-Q99 WeakPolarHBondContact O-CG 3.43Å; R95-Q99 PolarHBondContact O-N 3.28Å; R95-L207 HydrophobicContact CG-CD2 4.06Å |
| 96 | A | 98.3 | Very high | 94.9 | Very high | 33 Ų | 33 | 42.9 Ų | 42.9 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | I51 E92 M93 Q99 S100 | I51-A96 HydrophobicContact CG2-CB 4Å; E92-A96 WeakPolarHBondContact O-CB 3.46Å; E92-A96 PolarHBondContact O-N 3.47Å; M93-A96 PolarHBondContact O-N 3.29Å; A96-Q99 PolarHBondContact O-N 3.01Å; A96-S100 VanDerWaalsContact O-CB 3.26Å; A96-S100 WeakPolarHBondContact O-CB 3.24Å; A96-S100 PolarHBondContact O-N 3.37Å |
| 97 | A | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I51 V52 M93 A94 S100 L101 L125 | I51-A97 HydrophobicContact CG2-CB 3.77Å; V52-A97 HydrophobicContact CG2-CB 3.94Å; M93-A97 VanDerWaalsContact O-CB 3.32Å; M93-A97 WeakPolarHBondContact O-CB 3.39Å; M93-A97 PolarHBondContact O-N 2.8Å; A94-A97 PolarHBondContact O-N 3.36Å; A97-S100 PolarHBondContact O-N 3.46Å; A97-L101 WeakPolarHBondContact O-CB 3.43Å; A97-L101 PolarHBondContact O-N 3.26Å; A97-L125 HydrophobicContact CB-CD1 3.75Å; A97-L125 HydrophobicContact CB-CD2 3.85Å; A97-L125 HydrophobicContact CB-CG 4.45Å |
| 98 | H | 97.2 | Very high | 92.1 | Very high | 21 Ų | 21 | 49.6 Ų | 49.6 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.5 | -49.1 | 176.4 | 176.3 | -78.1 | 0 | 0 | 0 | 111.5 | A94 R95 S100 L101 S102 L125 L207 | A94-H98 PolarHBondContact O-N 3.46Å; R95-H98 PolarHBondContact O-N 3.18Å; H98-S100 VanDerWaalsContact C-N 3.33Å; H98-S100 PolarHBondContact O-N 3.05Å; H98-L101 PolarHBondContact O-N 3.42Å; H98-S102 PolarHBondContact CE1-OG 2.89Å; H98-S102 PolarHBondContact O-N 3.09Å; H98-S102 PolarHBondContact O-OG 3.17Å; H98-L125 HydrophobicContact CB-CD2 4.25Å; H98-L207 HydrophobicContact CB-CD1 3.79Å; H98-L207 HydrophobicContact CB-CD2 4.47Å; H98-L207 HydrophobicContact CB-CG 4.32Å |
| 99 | Q | 95.8 | Very high | 90.3 | Very high | 120 Ų | 120 | 51.1 Ų | 51.1 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.1 | -44.8 | 178.6 | -73.1 | 171 | -0.6 | 0 | 0 | 111.8 | R95 A96 L101 S102 L103 | R95-Q99 WeakPolarHBondContact O-CB 3.29Å; R95-Q99 VanDerWaalsContact O-CG 3.26Å; R95-Q99 WeakPolarHBondContact O-CG 3.43Å; R95-Q99 PolarHBondContact O-N 3.28Å; A96-Q99 PolarHBondContact O-N 3.01Å; Q99-L101 PolarHBondContact O-N 2.65Å; Q99-S102 PolarHBondContact O-N 3.32Å; Q99-L103 VanDerWaalsContact O-CG 3.29Å; Q99-L103 WeakPolarHBondContact O-CG 3.39Å; Q99-L103 PolarHBondContact O-N 3Å |
| 100 | S | 95.1 | Very high | 88.3 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 176.6 | -174.7 | 0 | 0 | 0 | 0 | 111.3 | C48 A96 A97 H98 L103 I104 | C48-S100 VanDerWaalsContact CB-OG 3.28Å; C48-S100 WeakPolarHBondContact CB-OG 3.5Å; A96-S100 VanDerWaalsContact O-CB 3.26Å; A96-S100 WeakPolarHBondContact O-CB 3.24Å; A96-S100 PolarHBondContact O-N 3.37Å; A97-S100 PolarHBondContact O-N 3.46Å; H98-S100 VanDerWaalsContact C-N 3.33Å; H98-S100 PolarHBondContact O-N 3.05Å; S100-L103 PolarHBondContact O-N 3.49Å; S100-I104 VanDerWaalsContact O-CD1 3.31Å; S100-I104 WeakPolarHBondContact O-CD1 3.44Å; S100-I104 WeakPolarHBondContact O-CG1 3.48Å; S100-I104 PolarHBondContact O-N 3.37Å |
| 101 | L | 93.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 176.1 | -82.7 | 174.8 | 0 | 0 | 0 | 113.2 | C48 A97 H98 Q99 L103 I104 S105 L121 F122 L125 L211 | C48-L101 VanDerWaalsContact SG-CD2 3.58Å; C48-L101 WeakPolarHBondContact SG-CG 3.39Å; A97-L101 WeakPolarHBondContact O-CB 3.43Å; A97-L101 PolarHBondContact O-N 3.26Å; H98-L101 PolarHBondContact O-N 3.42Å; Q99-L101 PolarHBondContact O-N 2.65Å; L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 PolarHBondContact O-N 3.3Å; L101-I104 PolarHBondContact O-N 2.96Å; L101-S105 WeakPolarHBondContact O-CB 3.42Å; L101-S105 PolarHBondContact O-N 3.48Å; L101-L121 HydrophobicContact CD1-CB 4.41Å; L101-L121 HydrophobicContact CD2-CB 3.7Å; L101-L121 HydrophobicContact CD2-CD1 4.17Å; L101-F122 HydrophobicContact CB-CE2 4.38Å; L101-F122 HydrophobicContact CB-CZ 4.27Å; L101-F122 HydrophobicContact CD1-CD2 4.48Å; L101-F122 HydrophobicContact CD1-CG 4.39Å; L101-F122 HydrophobicContact CD2-CD2 4.23Å; L101-F122 HydrophobicContact CD2-CE2 4.22Å; L101-L125 HydrophobicContact CD1-CB 4.21Å; L101-L125 HydrophobicContact CD1-CD2 3.66Å; L101-L211 HydrophobicContact CD1-CD1 4.44Å |
| 102 | S | 91.1 | Very high | 84.6 | Confident | 41 Ų | 41 | 66 Ų | 66 | 29% | 0.287 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 178.1 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | H98 Q99 G106 | H98-S102 PolarHBondContact CE1-OG 2.89Å; H98-S102 PolarHBondContact O-N 3.09Å; H98-S102 PolarHBondContact O-OG 3.17Å; Q99-S102 PolarHBondContact O-N 3.32Å; S102-G106 PolarHBondContact O-N 3.11Å |
| 103 | L | 89.8 | Confident | 83.1 | Confident | 134 Ų | 134 | 70.4 Ų | 70.4 | 70% | 0.702 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65 | -43.4 | 177 | -71.5 | 172.5 | 0 | 0 | 0 | 112 | Q99 S100 L101 S107 | Q99-L103 VanDerWaalsContact O-CG 3.29Å; Q99-L103 WeakPolarHBondContact O-CG 3.39Å; Q99-L103 PolarHBondContact O-N 3Å; S100-L103 PolarHBondContact O-N 3.49Å; L101-L103 VanDerWaalsContact C-N 3.32Å; L101-L103 PolarHBondContact O-N 3.3Å; L103-S107 WeakPolarHBondContact O-CB 3.17Å; L103-S107 PolarHBondContact O-N 2.94Å; L103-S107 PolarHBondContact O-OG 3.38Å |
| 104 | I | 88.7 | Confident | 81.9 | Confident | 6 Ų | 6 | 72.8 Ų | 72.8 | 3% | 0.031 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.6 | -49.8 | 178 | -67.9 | 160.3 | 0 | 0 | 0 | 109.5 | A44 V45 C48 S100 L101 G106 S107 W108 I118 | A44-I104 HydrophobicContact CB-CD1 4.22Å; A44-I104 HydrophobicContact CB-CG1 3.89Å; A44-I104 WeakPolarHBondContact O-CD1 3.5Å; V45-I104 HydrophobicContact CG2-CD1 4.42Å; V45-I104 HydrophobicContact CG2-CG2 3.73Å; C48-I104 HydrophobicContact CB-CD1 3.43Å; C48-I104 VanDerWaalsContact CB-CD1 3.43Å; S100-I104 VanDerWaalsContact O-CD1 3.31Å; S100-I104 WeakPolarHBondContact O-CD1 3.44Å; S100-I104 WeakPolarHBondContact O-CG1 3.48Å; S100-I104 PolarHBondContact O-N 3.37Å; L101-I104 PolarHBondContact O-N 2.96Å; I104-G106 VanDerWaalsContact C-N 3.34Å; I104-G106 PolarHBondContact O-N 3.05Å; I104-S107 PolarHBondContact O-N 3.43Å; I104-S107 PolarHBondContact O-OG 2.86Å; I104-W108 VanDerWaalsContact O-CD1 3.31Å; I104-I118 HydrophobicContact CG2-CD1 3.8Å; I104-I118 HydrophobicContact CG2-CG1 4.16Å |
| 105 | S | 82.7 | Confident | 81 | Confident | 44 Ų | 44 | 77 Ų | 77 | 31% | 0.308 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.3 | -35.9 | -177.2 | -166.1 | 0 | 0 | 0 | 0 | 113.2 | L101 S107 | L101-S105 WeakPolarHBondContact O-CB 3.42Å; L101-S105 PolarHBondContact O-N 3.48Å; S105-S107 VanDerWaalsContact C-N 3.32Å; S105-S107 PolarHBondContact O-N 3.35Å |
| 106 | G | 76.9 | Confident | 80.3 | Confident | 69 Ų | 69 | 75.5 Ų | 75.5 | 71% | 0.711 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -80.3 | -7.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S102 I104 | S102-G106 PolarHBondContact O-N 3.11Å; I104-G106 VanDerWaalsContact C-N 3.34Å; I104-G106 PolarHBondContact O-N 3.05Å |
| 107 | S | 71.8 | Confident | 79.9 | Confident | 82 Ų | 82 | 75.2 Ų | 75.2 | 57% | 0.573 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -3.9 | -176.9 | 68.7 | 0 | 0 | 0 | 0 | 114.4 | L103 I104 S105 | L103-S107 WeakPolarHBondContact O-CB 3.17Å; L103-S107 PolarHBondContact O-N 2.94Å; L103-S107 PolarHBondContact O-OG 3.38Å; I104-S107 PolarHBondContact O-N 3.43Å; I104-S107 PolarHBondContact O-OG 2.86Å; S105-S107 VanDerWaalsContact C-N 3.32Å; S105-S107 PolarHBondContact O-N 3.35Å |
| 108 | W | 66.6 | Low | 79.4 | Confident | 89 Ų | 89 | 75.4 Ų | 75.4 | 34% | 0.337 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -86.1 | 141.9 | 179.8 | -86 | 85.5 | 0 | 0 | 0 | 111.6 | A41 I104 E110 | A41-W108 HydrophobicContact CB-CZ2 4.28Å; I104-W108 VanDerWaalsContact O-CD1 3.31Å; W108-E110 PolarHBondContact O-N 3.31Å |
| 109 | P | 60.5 | Low | 79.1 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 57% | 0.565 | 43% | 0.425 | S | S | * | . | trans | -59.8 | 134.6 | 176.5 | -17.8 | 29.5 | 0 | 0 | 0 | 110.9 | D111 G112 | P109-D111 PolarHBondContact O-N 3.47Å; P109-G112 PolarHBondContact O-N 2.93Å | ||
| 110 | E | 55.9 | Low | 79 | Confident | 193 Ų | 193 | 76.8 Ų | 76.8 | 90% | 0.902 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -20.7 | 179.6 | -64 | -72.2 | 137.6 | 0 | 0 | 113.7 | W108 | W108-E110 PolarHBondContact O-N 3.31Š|
| 111 | D | 59.2 | Low | 79 | Confident | 173 Ų | 173 | 75.8 Ų | 75.8 | 93% | 0.925 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -0.6 | 176.6 | -77.4 | -32.8 | 0 | 0 | 0 | 114.2 | P109 | P109-D111 PolarHBondContact O-N 3.47Š|
| 112 | G | 60.8 | Low | 79 | Confident | 38 Ų | 38 | 75.8 Ų | 75.8 | 39% | 0.392 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -93.4 | 135.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P109 I114 | P109-G112 PolarHBondContact O-N 2.93Å; G112-I114 PolarHBondContact O-N 3.46Å |
| 113 | E | 67.3 | Low | 79.2 | Confident | 189 Ų | 189 | 77.6 Ų | 77.6 | 88% | 0.883 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 129.9 | 166.9 | -71.7 | -176.2 | 168.6 | 0 | 0 | 110.2 | H115 | E113-H115 PolarHBondContact O-N 3.27Å; E113-H115 VanDerWaalsContact O-N 3.13Å |
| 114 | I | 73.1 | Confident | 79.5 | Confident | 76 Ų | 76 | 73.8 Ų | 73.8 | 39% | 0.39 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 121.7 | 175.2 | -64.3 | 149.2 | 0 | 0 | 0 | 108.4 | G112 C119 P216 P218 | G112-I114 PolarHBondContact O-N 3.46Å; I114-C119 VanDerWaalsContact CG2-SG 3.59Å; I114-P216 HydrophobicContact CD1-CB 3.64Å; I114-P216 HydrophobicContact CG1-CB 4.41Å; I114-P216 HydrophobicContact CG2-CB 4.22Å; I114-P216 HydrophobicContact CG2-CG 4.22Å; I114-P218 HydrophobicContact CD1-CG 3.87Å |
| 115 | H | 79.8 | Confident | 79.9 | Confident | 89 Ų | 89 | 73.5 Ų | 73.5 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 126.3 | -178.7 | -166.8 | -80.7 | 0 | 0 | 0 | 109.8 | E113 E117 I118 | E113-H115 PolarHBondContact O-N 3.27Å; E113-H115 VanDerWaalsContact O-N 3.13Å; H115-E117 WeakPolarHBondContact ND1-CB 3.39Å; H115-E117 PolarHBondContact ND1-N 3Å; H115-E117 PolarHBondContact O-N 3.45Å; H115-I118 HydrophobicContact CB-CD1 3.97Å; H115-I118 HydrophobicContact CB-CG1 4.23Å; H115-I118 WeakPolarHBondContact O-CB 3.47Å; H115-I118 PolarHBondContact O-N 2.89Å |
| 116 | P | 85.3 | Confident | 80.6 | Confident | 81 Ų | 81 | 72.4 Ų | 72.4 | 53% | 0.526 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.8 | -25.1 | -172.1 | 22.2 | -34.3 | 0 | 0 | 0 | 113 | I118 C119 R120 | P116-I118 VanDerWaalsContact C-N 3.35Å; P116-C119 WeakPolarHBondContact O-CB 3.39Å; P116-C119 PolarHBondContact O-N 3.49Å; P116-R120 PolarHBondContact O-N 2.88Å; P116-R120 VanDerWaalsContact O-N 3.09Å |
| 117 | E | 88.6 | Confident | 81.6 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 12% | 0.121 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.6 | -33.5 | 175.2 | -162.4 | 56.4 | -156 | 0 | 0 | 113.8 | V45 R49 H115 C119 R120 L121 | V45-E117 HydrophobicContact CG1-CG 4.31Å; R49-E117 IonicContact CZ-OE1 3.52Å; R49-E117 IonicContact NH1-OE1 2.67Å; R49-E117 PolarHBondContact NH1-OE1 3.2Å; R49-E117 IonicContact NH2-OE1 3.44Å; R49-E117 PolarHBondContact NH2-OE1 3.49Å; H115-E117 WeakPolarHBondContact ND1-CB 3.39Å; H115-E117 PolarHBondContact ND1-N 3Å; H115-E117 PolarHBondContact O-N 3.45Å; E117-C119 VanDerWaalsContact C-N 3.34Å; E117-R120 PolarHBondContact O-N 3.39Å; E117-R120 WeakPolarHBondContact OE2-CD 3.37Å; E117-R120 IonicContact OE2-CZ 2.78Å; E117-R120 IonicContact OE2-NH1 2.72Å; E117-R120 PolarHBondContact OE2-NH1 3.2Å; E117-L121 WeakPolarHBondContact O-CG 3.47Å; E117-L121 PolarHBondContact O-N 2.94Å |
| 118 | I | 88.8 | Confident | 82.8 | Confident | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 175.9 | -63.4 | 170.1 | 0 | 0 | 0 | 108.8 | V45 I104 H115 P116 R120 L121 F122 | V45-I118 HydrophobicContact CG2-CG1 4.43Å; I104-I118 HydrophobicContact CG2-CD1 3.8Å; I104-I118 HydrophobicContact CG2-CG1 4.16Å; H115-I118 HydrophobicContact CB-CD1 3.97Å; H115-I118 HydrophobicContact CB-CG1 4.23Å; H115-I118 WeakPolarHBondContact O-CB 3.47Å; H115-I118 PolarHBondContact O-N 2.89Å; P116-I118 VanDerWaalsContact C-N 3.35Å; I118-R120 VanDerWaalsContact C-N 3.3Å; I118-R120 PolarHBondContact O-N 3.09Å; I118-L121 PolarHBondContact O-N 2.9Å; I118-L121 VanDerWaalsContact O-N 3.09Å; I118-F122 HydrophobicContact CG2-CD2 3.81Å; I118-F122 HydrophobicContact CG2-CE2 3.75Å; I118-F122 WeakPolarHBondContact O-CD2 3.37Å; I118-F122 PolarHBondContact O-N 3.03Å |
| 119 | C | 90.1 | Very high | 84.3 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 13% | 0.128 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.2 | -43.4 | 174.1 | -62.9 | 0 | 0 | 0 | 0 | 112 | I114 P116 E117 L121 F122 I123 L219 | I114-C119 VanDerWaalsContact CG2-SG 3.59Å; P116-C119 WeakPolarHBondContact O-CB 3.39Å; P116-C119 PolarHBondContact O-N 3.49Å; E117-C119 VanDerWaalsContact C-N 3.34Å; C119-L121 VanDerWaalsContact C-N 3.33Å; C119-L121 PolarHBondContact O-N 2.88Å; C119-F122 PolarHBondContact O-N 3.42Å; C119-I123 VanDerWaalsContact O-CG1 3.31Å; C119-I123 WeakPolarHBondContact O-CG1 3.28Å; C119-I123 PolarHBondContact O-N 2.68Å; C119-L219 HydrophobicContact CB-CD1 3.96Å; C119-L219 HydrophobicContact CB-CD2 4.31Å; C119-L219 HydrophobicContact CB-CG 4.36Å |
| 120 | R | 92.9 | Very high | 86.1 | Confident | 151 Ų | 151 | 62.5 Ų | 62.5 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.3 | -41.6 | 175.1 | -71 | 179.2 | -174.6 | 147.9 | -2.4 | 112.3 | P116 E117 I118 I123 Q124 | P116-R120 PolarHBondContact O-N 2.88Å; P116-R120 VanDerWaalsContact O-N 3.09Å; E117-R120 PolarHBondContact O-N 3.39Å; E117-R120 WeakPolarHBondContact OE2-CD 3.37Å; E117-R120 IonicContact OE2-CZ 2.78Å; E117-R120 IonicContact OE2-NH1 2.72Å; E117-R120 PolarHBondContact OE2-NH1 3.2Å; I118-R120 VanDerWaalsContact C-N 3.3Å; I118-R120 PolarHBondContact O-N 3.09Å; R120-I123 PolarHBondContact O-N 3.05Å; R120-Q124 VanDerWaalsContact O-CB 3.29Å; R120-Q124 WeakPolarHBondContact O-CB 3.37Å; R120-Q124 PolarHBondContact O-N 3.07Å |
| 121 | L | 95.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 177.9 | -68 | 171 | 0 | 0 | 0 | 112.2 | V45 C48 R49 V52 L101 E117 I118 C119 Q124 L125 | V45-L121 HydrophobicContact CG1-CD1 4.23Å; C48-L121 HydrophobicContact CB-CD1 4.37Å; R49-L121 HydrophobicContact CB-CD2 4.03Å; R49-L121 HydrophobicContact CG-CD2 4.36Å; V52-L121 HydrophobicContact CB-CD2 4.43Å; V52-L121 HydrophobicContact CG2-CD2 4.35Å; L101-L121 HydrophobicContact CD1-CB 4.41Å; L101-L121 HydrophobicContact CD2-CB 3.7Å; L101-L121 HydrophobicContact CD2-CD1 4.17Å; E117-L121 WeakPolarHBondContact O-CG 3.47Å; E117-L121 PolarHBondContact O-N 2.94Å; I118-L121 PolarHBondContact O-N 2.9Å; I118-L121 VanDerWaalsContact O-N 3.09Å; C119-L121 VanDerWaalsContact C-N 3.33Å; C119-L121 PolarHBondContact O-N 2.88Å; L121-Q124 PolarHBondContact O-N 3.12Å; L121-L125 WeakPolarHBondContact O-CB 3.32Å; L121-L125 PolarHBondContact O-N 3.23Å |
| 122 | F | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60 | -49.5 | 172.7 | -91.9 | -83.6 | 0 | 0 | 0 | 111.7 | L101 I118 C119 Q124 L125 Q126 L211 M215 P216 L219 | L101-F122 HydrophobicContact CB-CE2 4.38Å; L101-F122 HydrophobicContact CB-CZ 4.27Å; L101-F122 HydrophobicContact CD1-CD2 4.48Å; L101-F122 HydrophobicContact CD1-CG 4.39Å; L101-F122 HydrophobicContact CD2-CD2 4.23Å; L101-F122 HydrophobicContact CD2-CE2 4.22Å; I118-F122 HydrophobicContact CG2-CD2 3.81Å; I118-F122 HydrophobicContact CG2-CE2 3.75Å; I118-F122 WeakPolarHBondContact O-CD2 3.37Å; I118-F122 PolarHBondContact O-N 3.03Å; C119-F122 PolarHBondContact O-N 3.42Å; F122-Q124 PolarHBondContact O-N 3.42Å; F122-L125 PolarHBondContact O-N 3.49Å; F122-Q126 WeakPolarHBondContact O-CB 3.35Å; F122-Q126 PolarHBondContact O-N 3.36Å; F122-L211 HydrophobicContact CD1-CD1 3.54Å; F122-L211 HydrophobicContact CD1-CG 4.14Å; F122-L211 HydrophobicContact CE1-CD1 3.64Å; F122-L211 HydrophobicContact CE1-CG 4.48Å; F122-M215 HydrophobicContact CB-CE 4.49Å; F122-M215 HydrophobicContact CB-CG 4.25Å; F122-M215 HydrophobicContact CD1-CB 4.32Å; F122-M215 HydrophobicContact CD1-CE 4.38Å; F122-M215 HydrophobicContact CD1-CG 3.95Å; F122-M215 HydrophobicContact CG-CG 4.22Å; F122-P216 HydrophobicContact CD2-CG 4.09Å; F122-P216 HydrophobicContact CE2-CG 4.05Å; F122-L219 HydrophobicContact CB-CD1 3.99Å |
| 123 | I | 94.3 | Very high | 91.8 | Very high | 78 Ų | 78 | 48.1 Ų | 48.1 | 40% | 0.4 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.8 | -47.9 | 177.4 | -65.5 | 162.5 | 0 | 0 | 0 | 110.2 | C119 R120 L125 Q126 C127 L219 | C119-I123 VanDerWaalsContact O-CG1 3.31Å; C119-I123 WeakPolarHBondContact O-CG1 3.28Å; C119-I123 PolarHBondContact O-N 2.68Å; R120-I123 PolarHBondContact O-N 3.05Å; I123-L125 PolarHBondContact O-N 3.34Å; I123-Q126 PolarHBondContact O-N 3.25Å; I123-C127 PolarHBondContact O-N 3.32Å; I123-C127 PolarHBondContact O-SG 3.39Å; I123-L219 HydrophobicContact CD1-CD2 3.85Å; I123-L219 HydrophobicContact CG1-CD1 4.17Å; I123-L219 HydrophobicContact CG1-CD2 4.17Å |
| 124 | Q | 96.6 | Very high | 93.3 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.4 | -46.2 | -179 | -172.7 | 177.2 | 3.5 | 0 | 0 | 111.5 | V52 R120 L121 F122 C127 C128 | V52-Q124 HydrophobicContact CG1-CB 4.08Å; V52-Q124 HydrophobicContact CG1-CG 3.64Å; R120-Q124 VanDerWaalsContact O-CB 3.29Å; R120-Q124 WeakPolarHBondContact O-CB 3.37Å; R120-Q124 PolarHBondContact O-N 3.07Å; L121-Q124 PolarHBondContact O-N 3.12Å; F122-Q124 PolarHBondContact O-N 3.42Å; Q124-C127 PolarHBondContact O-N 3.02Å; Q124-C128 WeakPolarHBondContact O-CB 3.49Å; Q124-C128 PolarHBondContact O-N 2.94Å; Q124-C128 PolarHBondContact O-SG 2.92Å |
| 125 | L | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.2 | -40.9 | 178.4 | -178.1 | 59.8 | 0 | 0 | 0 | 111.7 | V52 F55 A97 H98 L101 L121 F122 I123 C128 L129 L211 | V52-L125 HydrophobicContact CG2-CB 4.45Å; F55-L125 HydrophobicContact CD1-CD1 3.76Å; F55-L125 HydrophobicContact CE1-CD1 3.98Å; A97-L125 HydrophobicContact CB-CD1 3.75Å; A97-L125 HydrophobicContact CB-CD2 3.85Å; A97-L125 HydrophobicContact CB-CG 4.45Å; H98-L125 HydrophobicContact CB-CD2 4.25Å; L101-L125 HydrophobicContact CD1-CB 4.21Å; L101-L125 HydrophobicContact CD1-CD2 3.66Å; L121-L125 WeakPolarHBondContact O-CB 3.32Å; L121-L125 PolarHBondContact O-N 3.23Å; F122-L125 PolarHBondContact O-N 3.49Å; I123-L125 PolarHBondContact O-N 3.34Å; L125-C128 PolarHBondContact O-N 3.21Å; L125-L129 HydrophobicContact CD1-CD1 4.36Å; L125-L129 HydrophobicContact CD1-CG 4.4Å; L125-L129 HydrophobicContact CG-CD1 4.17Å; L125-L129 WeakPolarHBondContact O-CB 3.41Å; L125-L129 PolarHBondContact O-N 3.36Å; L125-L211 HydrophobicContact CB-CD2 4.18Å; L125-L211 HydrophobicContact CD2-CD1 3.85Å; L125-L211 HydrophobicContact CD2-CD2 4.17Å; L125-L211 HydrophobicContact CG-CD1 4.49Å; L125-L211 HydrophobicContact CG-CD2 3.93Å |
| 126 | Q | 96.7 | Very high | 95.4 | Very high | 20 Ų | 20 | 35.2 Ų | 35.2 | 9% | 0.093 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.8 | -52.5 | 175.8 | -179.7 | -178.8 | -7.9 | 0 | 0 | 110.9 | F122 I123 C128 L129 E130 L208 L211 M215 | F122-Q126 WeakPolarHBondContact O-CB 3.35Å; F122-Q126 PolarHBondContact O-N 3.36Å; I123-Q126 PolarHBondContact O-N 3.25Å; Q126-C128 VanDerWaalsContact C-N 3.31Å; Q126-C128 PolarHBondContact O-N 3.07Å; Q126-L129 PolarHBondContact O-N 2.84Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.31Å; Q126-E130 PolarHBondContact NE2-OE1 3.27Å; Q126-E130 WeakPolarHBondContact O-CG 3.39Å; Q126-E130 PolarHBondContact O-N 2.91Å; Q126-L208 HydrophobicContact CG-CD1 3.84Å; Q126-L211 HydrophobicContact CB-CD2 3.82Å; Q126-M215 HydrophobicContact CB-CE 4.36Å |
| 127 | C | 97 | Very high | 96 | Very high | 55 Ų | 55 | 35.5 Ų | 35.5 | 37% | 0.372 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 178.6 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | I123 Q124 L129 E130 M131 | I123-C127 PolarHBondContact O-N 3.32Å; I123-C127 PolarHBondContact O-SG 3.39Å; Q124-C127 PolarHBondContact O-N 3.02Å; C127-L129 PolarHBondContact O-N 3.41Å; C127-E130 PolarHBondContact O-N 3.49Å; C127-M131 WeakPolarHBondContact O-CB 3.47Å; C127-M131 WeakPolarHBondContact O-CG 3.46Å; C127-M131 PolarHBondContact O-N 3.46Å |
| 128 | C | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.02 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 177.1 | -68 | 0 | 0 | 0 | 0 | 111.7 | F55 Q124 L125 Q126 Y132 | F55-C128 HydrophobicContact CD1-CB 3.68Å; F55-C128 HydrophobicContact CE1-CB 3.45Å; F55-C128 VanDerWaalsContact CE1-CB 3.45Å; F55-C128 HydrophobicContact CZ-CB 4.47Å; Q124-C128 WeakPolarHBondContact O-CB 3.49Å; Q124-C128 PolarHBondContact O-N 2.94Å; Q124-C128 PolarHBondContact O-SG 2.92Å; L125-C128 PolarHBondContact O-N 3.21Å; Q126-C128 VanDerWaalsContact C-N 3.31Å; Q126-C128 PolarHBondContact O-N 3.07Å; C128-Y132 VanDerWaalsContact O-CB 3.22Å; C128-Y132 WeakPolarHBondContact O-CB 3.33Å; C128-Y132 PolarHBondContact O-N 3.49Å |
| 129 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -45.5 | 177.3 | -86.3 | 168.4 | 0 | 0 | 0 | 112.3 | F55 A94 L125 Q126 C127 M131 Y132 I133 M204 L207 L208 L211 | F55-L129 HydrophobicContact CE1-CD2 4.35Å; F55-L129 HydrophobicContact CE1-CG 4.12Å; F55-L129 HydrophobicContact CZ-CD2 4.15Å; F55-L129 HydrophobicContact CZ-CG 4.4Å; A94-L129 HydrophobicContact CB-CD2 4.04Å; L125-L129 HydrophobicContact CD1-CD1 4.36Å; L125-L129 HydrophobicContact CD1-CG 4.4Å; L125-L129 HydrophobicContact CG-CD1 4.17Å; L125-L129 WeakPolarHBondContact O-CB 3.41Å; L125-L129 PolarHBondContact O-N 3.36Å; Q126-L129 PolarHBondContact O-N 2.84Å; C127-L129 PolarHBondContact O-N 3.41Å; L129-M131 PolarHBondContact O-N 3.27Å; L129-Y132 PolarHBondContact O-N 3.13Å; L129-I133 WeakPolarHBondContact O-CB 3.44Å; L129-I133 WeakPolarHBondContact O-CD1 3.38Å; L129-I133 VanDerWaalsContact O-CG1 3.24Å; L129-I133 WeakPolarHBondContact O-CG1 3.16Å; L129-I133 PolarHBondContact O-N 3.32Å; L129-M204 HydrophobicContact CD2-CB 4.41Å; L129-M204 HydrophobicContact CD2-SD 4.07Å; L129-L207 HydrophobicContact CD1-CD2 4.44Å; L129-L207 HydrophobicContact CD1-CG 4.42Å; L129-L207 HydrophobicContact CD2-CD2 4.25Å; L129-L208 HydrophobicContact CB-CD1 4.07Å; L129-L208 HydrophobicContact CD1-CB 4.46Å; L129-L208 HydrophobicContact CD1-CD1 4.42Å; L129-L211 HydrophobicContact CD1-CD2 4.01Å |
| 130 | E | 98.1 | Very high | 97.1 | Very high | 62 Ų | 62 | 38.4 Ų | 38.4 | 29% | 0.29 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.1 | -46.2 | 177.7 | -73.9 | 172.7 | -179.5 | 0 | 0 | 111.4 | Q126 C127 T134 L208 R212 | Q126-E130 WeakPolarHBondContact CG-OE1 3.31Å; Q126-E130 PolarHBondContact NE2-OE1 3.27Å; Q126-E130 WeakPolarHBondContact O-CG 3.39Å; Q126-E130 PolarHBondContact O-N 2.91Å; C127-E130 PolarHBondContact O-N 3.49Å; E130-T134 WeakPolarHBondContact O-CB 3.5Å; E130-T134 PolarHBondContact O-N 2.84Å; E130-T134 VanDerWaalsContact O-N 3.09Å; E130-T134 PolarHBondContact O-OG1 3Å; E130-L208 HydrophobicContact CG-CD1 4.09Å; E130-L208 HydrophobicContact CG-CD2 3.67Å; E130-R212 IonicContact OE1-CZ 3.47Å; E130-R212 IonicContact OE1-NE 3.78Å; E130-R212 IonicContact OE1-NH2 2.74Å; E130-R212 PolarHBondContact OE1-NH2 3.05Å |
| 131 | M | 98 | Very high | 97.1 | Very high | 86 Ų | 86 | 34.7 Ų | 34.7 | 42% | 0.424 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.6 | -46.8 | 174.2 | -71.8 | -172.3 | -63.7 | 0 | 0 | 111 | V59 C127 L129 I133 T134 E135 | V59-M131 HydrophobicContact CG1-CB 4.1Å; C127-M131 WeakPolarHBondContact O-CB 3.47Å; C127-M131 WeakPolarHBondContact O-CG 3.46Å; C127-M131 PolarHBondContact O-N 3.46Å; L129-M131 PolarHBondContact O-N 3.27Å; M131-I133 PolarHBondContact O-N 2.89Å; M131-T134 WeakPolarHBondContact O-CA 3.34Å; M131-T134 WeakPolarHBondContact O-CB 3.48Å; M131-T134 PolarHBondContact O-N 3.44Å; M131-T134 VanDerWaalsContact O-N 3.08Å; M131-E135 WeakPolarHBondContact O-CG 3.49Å; M131-E135 PolarHBondContact O-N 2.78Å |
| 132 | Y | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -43.8 | -176.9 | -169.2 | -135.8 | 0 | 0 | 0 | 113.1 | F55 V59 Y62 R87 C128 L129 T134 E135 M136 M204 | F55-Y132 AromaticContact CE2-CD1 3.72Å; F55-Y132 HydrophobicContact CE2-CD1 3.72Å; F55-Y132 AromaticContact CE2-CE1 3.98Å; F55-Y132 HydrophobicContact CE2-CE1 3.98Å; F55-Y132 HydrophobicContact CE2-CG 4.12Å; F55-Y132 AromaticContact CZ-CD1 3.72Å; F55-Y132 HydrophobicContact CZ-CD1 3.72Å; F55-Y132 HydrophobicContact CZ-CE1 4.42Å; F55-Y132 HydrophobicContact CZ-CG 4.01Å; V59-Y132 HydrophobicContact CB-CD2 4.45Å; V59-Y132 HydrophobicContact CG1-CD2 4.46Å; V59-Y132 HydrophobicContact CG2-CD2 3.89Å; V59-Y132 HydrophobicContact CG2-CG 3.93Å; Y62-Y132 HydrophobicContact CD1-CD2 4.14Å; Y62-Y132 AromaticContact CD1-CE2 3.8Å; Y62-Y132 HydrophobicContact CD1-CE2 3.8Å; Y62-Y132 HydrophobicContact CE1-CE2 4.37Å; Y62-Y132 AromaticContact CG-CE2 3.93Å; Y62-Y132 HydrophobicContact CG-CE2 3.93Å; R87-Y132 WeakPolarHBondContact CA-OH 3.43Å; R87-Y132 PolarHBondContact O-OH 3.5Å; C128-Y132 VanDerWaalsContact O-CB 3.22Å; C128-Y132 WeakPolarHBondContact O-CB 3.33Å; C128-Y132 PolarHBondContact O-N 3.49Å; L129-Y132 PolarHBondContact O-N 3.13Å; Y132-T134 VanDerWaalsContact C-N 3.26Å; Y132-T134 PolarHBondContact O-N 3.47Å; Y132-E135 PolarHBondContact O-N 2.72Å; Y132-M136 HydrophobicContact CD1-CE 3.89Å; Y132-M136 HydrophobicContact CD1-SD 4.4Å; Y132-M136 HydrophobicContact CE1-CE 3.24Å; Y132-M136 HydrophobicContact CE1-SD 4.3Å; Y132-M136 HydrophobicContact CE2-CE 4.13Å; Y132-M136 WeakPolarHBondContact O-CG 3.26Å; Y132-M136 PolarHBondContact O-N 3.44Å; Y132-M136 WeakPolarHBondContact OH-CE 3.31Å; Y132-M204 HydrophobicContact CD1-CG 4.18Å; Y132-M204 HydrophobicContact CD1-SD 4.43Å; Y132-M204 HydrophobicContact CE1-CG 4.23Å; Y132-M204 HydrophobicContact CE1-SD 4.35Å |
| 133 | I | 98.7 | Very high | 96.9 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 8% | 0.082 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.8 | -40.8 | 172.9 | -69.5 | 160.6 | 0 | 0 | 0 | 110.6 | L129 M131 M136 L137 M201 M204 K205 L208 | L129-I133 WeakPolarHBondContact O-CB 3.44Å; L129-I133 WeakPolarHBondContact O-CD1 3.38Å; L129-I133 VanDerWaalsContact O-CG1 3.24Å; L129-I133 WeakPolarHBondContact O-CG1 3.16Å; L129-I133 PolarHBondContact O-N 3.32Å; M131-I133 PolarHBondContact O-N 2.89Å; I133-M136 PolarHBondContact O-N 3.36Å; I133-L137 PolarHBondContact O-N 3.03Å; I133-M201 HydrophobicContact CG2-CG 4.02Å; I133-M201 HydrophobicContact CG2-SD 4.48Å; I133-M204 HydrophobicContact CD1-CB 4.19Å; I133-M204 HydrophobicContact CG1-CB 3.72Å; I133-K205 HydrophobicContact CD1-CG 3.9Å; I133-K205 HydrophobicContact CG1-CG 4.31Å; I133-K205 HydrophobicContact CG2-CD 4.4Å; I133-K205 HydrophobicContact CG2-CG 3.92Å; I133-L208 HydrophobicContact CD1-CB 4.21Å; I133-L208 HydrophobicContact CD1-CD2 3.88Å |
| 134 | T | 98.3 | Very high | 96.7 | Very high | 69 Ų | 69 | 34.8 Ų | 34.8 | 42% | 0.423 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.8 | -42.6 | 177.7 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | E130 M131 Y132 L137 K138 | E130-T134 WeakPolarHBondContact O-CB 3.5Å; E130-T134 PolarHBondContact O-N 2.84Å; E130-T134 VanDerWaalsContact O-N 3.09Å; E130-T134 PolarHBondContact O-OG1 3Å; M131-T134 WeakPolarHBondContact O-CA 3.34Å; M131-T134 WeakPolarHBondContact O-CB 3.48Å; M131-T134 PolarHBondContact O-N 3.44Å; M131-T134 VanDerWaalsContact O-N 3.08Å; Y132-T134 VanDerWaalsContact C-N 3.26Å; Y132-T134 PolarHBondContact O-N 3.47Å; T134-L137 PolarHBondContact O-N 2.74Å; T134-K138 WeakPolarHBondContact O-CG 3.41Å; T134-K138 PolarHBondContact O-N 3.35Å |
| 135 | E | 98.3 | Very high | 96.2 | Very high | 13 Ų | 13 | 35 Ų | 35 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67 | -37.2 | 176.1 | -62.5 | -51.5 | 135.3 | 0 | 0 | 112 | Y62 R63 M131 Y132 L137 K138 S139 | Y62-E135 HydrophobicContact CD1-CB 3.91Å; Y62-E135 HydrophobicContact CE1-CB 4.22Å; R63-E135 HydrophobicContact CB-CG 4.12Å; R63-E135 HydrophobicContact CG-CG 4.43Å; M131-E135 WeakPolarHBondContact O-CG 3.49Å; M131-E135 PolarHBondContact O-N 2.78Å; Y132-E135 PolarHBondContact O-N 2.72Å; E135-L137 PolarHBondContact O-N 2.96Å; E135-K138 PolarHBondContact O-N 3.41Å; E135-K138 IonicContact OE1-NZ 2.86Å; E135-K138 PolarHBondContact OE1-NZ 3.3Å; E135-K138 WeakPolarHBondContact OE2-CD 3.34Å; E135-K138 IonicContact OE2-NZ 3.89Å; E135-S139 PolarHBondContact O-N 3.33Å |
| 136 | M | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.1 | -45.5 | 171.6 | -75.5 | 174.5 | 164.3 | 0 | 0 | 111.5 | Y62 R87 Y132 I133 K138 S139 V140 I197 D200 M201 M204 | Y62-M136 HydrophobicContact CE1-CG 4.01Å; R87-M136 HydrophobicContact CG-CE 3.7Å; Y132-M136 HydrophobicContact CD1-CE 3.89Å; Y132-M136 HydrophobicContact CD1-SD 4.4Å; Y132-M136 HydrophobicContact CE1-CE 3.24Å; Y132-M136 HydrophobicContact CE1-SD 4.3Å; Y132-M136 HydrophobicContact CE2-CE 4.13Å; Y132-M136 WeakPolarHBondContact O-CG 3.26Å; Y132-M136 PolarHBondContact O-N 3.44Å; Y132-M136 WeakPolarHBondContact OH-CE 3.31Å; I133-M136 PolarHBondContact O-N 3.36Å; M136-K138 PolarHBondContact O-N 2.98Å; M136-S139 WeakPolarHBondContact O-CB 3.49Å; M136-S139 PolarHBondContact O-N 3.09Å; M136-S139 PolarHBondContact O-OG 3.02Å; M136-V140 PolarHBondContact O-N 3.3Å; M136-V140 VanDerWaalsContact O-N 3.08Å; M136-I197 HydrophobicContact CB-CG2 3.98Å; M136-I197 HydrophobicContact CG-CG2 4.29Å; M136-D200 HydrophobicContact CE-CB 4.06Å; M136-M201 HydrophobicContact CB-CB 4.24Å; M136-M201 HydrophobicContact CB-CG 4.34Å; M136-M201 HydrophobicContact SD-CB 3.99Å; M136-M204 HydrophobicContact CE-CG 4.04Å; M136-M204 HydrophobicContact SD-CG 4.18Å |
| 137 | L | 98.1 | Very high | 94.1 | Very high | 88 Ų | 88 | 38.1 Ų | 38.1 | 46% | 0.461 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.3 | -46 | 177 | 179.7 | 63.4 | 0 | 0 | 0 | 111.8 | I133 T134 E135 S139 V140 C141 M201 | I133-L137 PolarHBondContact O-N 3.03Å; T134-L137 PolarHBondContact O-N 2.74Å; E135-L137 PolarHBondContact O-N 2.96Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.36Å; L137-V140 PolarHBondContact O-N 2.95Å; L137-C141 PolarHBondContact O-N 3.44Å; L137-C141 VanDerWaalsContact O-N 3.1Å; L137-C141 PolarHBondContact O-SG 2.95Å; L137-C141 VanDerWaalsContact O-SG 3.35Å; L137-M201 HydrophobicContact CB-SD 4.05Å; L137-M201 HydrophobicContact CD1-SD 4.39Å |
| 138 | K | 97.2 | Very high | 92.4 | Very high | 90 Ų | 90 | 41.3 Ų | 41.3 | 39% | 0.391 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.6 | -42.1 | 176.2 | -70.4 | 170.8 | -176 | 170.6 | 0 | 111.5 | V66 T134 E135 M136 V140 C141 L142 | V66-K138 HydrophobicContact CG1-CB 3.93Å; T134-K138 WeakPolarHBondContact O-CG 3.41Å; T134-K138 PolarHBondContact O-N 3.35Å; E135-K138 PolarHBondContact O-N 3.41Å; E135-K138 IonicContact OE1-NZ 2.86Å; E135-K138 PolarHBondContact OE1-NZ 3.3Å; E135-K138 WeakPolarHBondContact OE2-CD 3.34Å; E135-K138 IonicContact OE2-NZ 3.89Å; M136-K138 PolarHBondContact O-N 2.98Å; K138-V140 PolarHBondContact O-N 2.88Å; K138-C141 PolarHBondContact O-N 3.09Å; K138-L142 WeakPolarHBondContact O-CG 3.5Å; K138-L142 PolarHBondContact O-N 3.4Å |
| 139 | S | 96.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 179.2 | 82.1 | 0 | 0 | 0 | 0 | 112.7 | Y62 E135 M136 L137 L142 L143 | Y62-S139 PolarHBondContact OH-OG 3.43Å; E135-S139 PolarHBondContact O-N 3.33Å; M136-S139 WeakPolarHBondContact O-CB 3.49Å; M136-S139 PolarHBondContact O-N 3.09Å; M136-S139 PolarHBondContact O-OG 3.02Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.36Å; S139-L142 PolarHBondContact O-N 3.02Å; S139-L143 WeakPolarHBondContact O-CB 3.49Å; S139-L143 VanDerWaalsContact O-CG 3.27Å; S139-L143 WeakPolarHBondContact O-CG 3.35Å; S139-L143 PolarHBondContact O-N 3.38Å |
| 140 | V | 96.1 | Very high | 88.7 | Confident | 19 Ų | 19 | 52.8 Ų | 52.8 | 12% | 0.115 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 174.5 | 167.1 | 0 | 0 | 0 | 0 | 110.4 | M136 L137 K138 G144 I194 I197 E198 | M136-V140 PolarHBondContact O-N 3.3Å; M136-V140 VanDerWaalsContact O-N 3.08Å; L137-V140 PolarHBondContact O-N 2.95Å; K138-V140 PolarHBondContact O-N 2.88Å; V140-G144 PolarHBondContact O-N 3.28Å; V140-I194 HydrophobicContact CG1-CG2 3.91Å; V140-I194 HydrophobicContact CG2-CG2 4.47Å; V140-I197 HydrophobicContact CG2-CB 3.89Å; V140-I197 HydrophobicContact CG2-CG2 3.54Å; V140-E198 HydrophobicContact CG1-CG 4.35Å; V140-E198 HydrophobicContact CG2-CG 4Å |
| 141 | C | 94.7 | Very high | 86.6 | Confident | 74 Ų | 74 | 57.8 Ų | 57.8 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 178.9 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | L137 K138 G144 S145 | L137-C141 PolarHBondContact O-N 3.44Å; L137-C141 VanDerWaalsContact O-N 3.1Å; L137-C141 PolarHBondContact O-SG 2.95Å; L137-C141 VanDerWaalsContact O-SG 3.35Å; K138-C141 PolarHBondContact O-N 3.09Å; C141-G144 PolarHBondContact O-N 2.9Å; C141-S145 PolarHBondContact O-N 2.89Å; C141-S145 PolarHBondContact O-OG 3.09Å |
| 142 | L | 93.3 | Very high | 84.4 | Confident | 58 Ų | 58 | 56 Ų | 56 | 30% | 0.304 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.6 | -45.4 | -177.9 | -70.3 | 171.4 | 0 | 0 | 0 | 112.3 | V66 I69 K138 S139 G144 S145 L146 | V66-L142 HydrophobicContact CG1-CD1 3.87Å; V66-L142 WeakPolarHBondContact O-CD1 3.48Å; I69-L142 HydrophobicContact CB-CB 4.33Å; I69-L142 HydrophobicContact CB-CD1 4.33Å; I69-L142 HydrophobicContact CG2-CB 3.71Å; K138-L142 WeakPolarHBondContact O-CG 3.5Å; K138-L142 PolarHBondContact O-N 3.4Å; S139-L142 PolarHBondContact O-N 3.02Å; L142-G144 VanDerWaalsContact C-N 3.28Å; L142-G144 PolarHBondContact O-N 3.29Å; L142-S145 WeakPolarHBondContact O-CB 3.34Å; L142-S145 PolarHBondContact O-N 3.48Å; L142-L146 PolarHBondContact O-N 3.01Å; L142-L146 VanDerWaalsContact O-N 3.11Å |
| 143 | L | 91.5 | Very high | 82 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 175.4 | -70.3 | 170.9 | 0 | 0 | 0 | 111.4 | I69 R80 S139 L146 Q147 V190 I194 I197 | I69-L143 HydrophobicContact CD1-CD2 4.18Å; I69-L143 HydrophobicContact CD1-CG 4.08Å; I69-L143 HydrophobicContact CG2-CD2 4.27Å; R80-L143 HydrophobicContact CG-CD2 4.48Å; S139-L143 WeakPolarHBondContact O-CB 3.49Å; S139-L143 VanDerWaalsContact O-CG 3.27Å; S139-L143 WeakPolarHBondContact O-CG 3.35Å; S139-L143 PolarHBondContact O-N 3.38Å; L143-L146 PolarHBondContact O-N 2.94Å; L143-Q147 PolarHBondContact O-N 3.31Å; L143-V190 HydrophobicContact CB-CG1 4.17Å; L143-V190 HydrophobicContact CD2-CG1 4.34Å; L143-I194 HydrophobicContact CB-CD1 4.04Å; L143-I194 HydrophobicContact CB-CG1 3.93Å; L143-I194 HydrophobicContact CD1-CG1 4.48Å; L143-I197 HydrophobicContact CD1-CD1 3.64Å |
| 144 | G | 89.7 | Confident | 79.5 | Confident | 19 Ų | 19 | 69 Ų | 69 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V140 C141 L142 L146 Q147 L148 | V140-G144 PolarHBondContact O-N 3.28Å; C141-G144 PolarHBondContact O-N 2.9Å; L142-G144 VanDerWaalsContact C-N 3.28Å; L142-G144 PolarHBondContact O-N 3.29Å; G144-L146 PolarHBondContact O-N 3.41Å; G144-Q147 WeakPolarHBondContact O-CB 3.28Å; G144-Q147 PolarHBondContact O-N 3.46Å; G144-L148 WeakPolarHBondContact O-CG 3.32Å; G144-L148 PolarHBondContact O-N 2.83Å; G144-L148 VanDerWaalsContact O-N 3.11Å |
| 145 | S | 86.3 | Confident | 76.7 | Confident | 60 Ų | 60 | 70 Ų | 70 | 42% | 0.42 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 175.6 | -61.7 | 0 | 0 | 0 | 0 | 112.8 | C141 L142 Q147 L148 H149 | C141-S145 PolarHBondContact O-N 2.89Å; C141-S145 PolarHBondContact O-OG 3.09Å; L142-S145 WeakPolarHBondContact O-CB 3.34Å; L142-S145 PolarHBondContact O-N 3.48Å; S145-Q147 VanDerWaalsContact C-N 3.32Å; S145-Q147 PolarHBondContact O-N 2.81Å; S145-L148 PolarHBondContact O-N 3.44Å; S145-H149 PolarHBondContact O-N 3.21Å |
| 146 | L | 77.8 | Confident | 73.8 | Confident | 39 Ų | 39 | 75 Ų | 75 | 20% | 0.204 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.8 | -37 | 174.9 | -68.6 | 175.6 | 0 | 0 | 0 | 112.1 | I69 L142 L143 G144 | I69-L146 HydrophobicContact CG2-CD1 3.68Å; L142-L146 PolarHBondContact O-N 3.01Å; L142-L146 VanDerWaalsContact O-N 3.11Å; L143-L146 PolarHBondContact O-N 2.94Å; G144-L146 PolarHBondContact O-N 3.41Å |
| 147 | Q | 72.4 | Confident | 70.8 | Confident | 46 Ų | 46 | 80.1 Ų | 80.1 | 22% | 0.215 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 173.8 | -68.2 | -171.7 | 20.9 | 0 | 0 | 112.6 | L143 G144 S145 R150 K151 V190 I194 | L143-Q147 PolarHBondContact O-N 3.31Å; G144-Q147 WeakPolarHBondContact O-CB 3.28Å; G144-Q147 PolarHBondContact O-N 3.46Å; S145-Q147 VanDerWaalsContact C-N 3.32Å; S145-Q147 PolarHBondContact O-N 2.81Å; Q147-R150 PolarHBondContact O-N 3.02Å; Q147-K151 PolarHBondContact O-N 3.42Å; Q147-V190 HydrophobicContact CG-CB 4.13Å; Q147-V190 HydrophobicContact CG-CG1 3.83Å; Q147-V190 VanDerWaalsContact NE2-CG1 3.26Å; Q147-V190 PolarHBondContact NE2-O 3.2Å; Q147-I194 VanDerWaalsContact NE2-CD1 3.31Å |
| 148 | L | 61.9 | Low | 67.8 | Low | 122 Ų | 122 | 80.8 Ų | 80.8 | 64% | 0.639 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.8 | -41 | -177.9 | -68.5 | 172.3 | 0 | 0 | 0 | 112.5 | G144 S145 R150 K151 G152 | G144-L148 WeakPolarHBondContact O-CG 3.32Å; G144-L148 PolarHBondContact O-N 2.83Å; G144-L148 VanDerWaalsContact O-N 3.11Å; S145-L148 PolarHBondContact O-N 3.44Å; L148-R150 PolarHBondContact O-N 3.38Å; L148-K151 PolarHBondContact O-N 2.97Å; L148-G152 PolarHBondContact O-N 3.48Å |
| 149 | H | 60.5 | Low | 65.2 | Low | 157 Ų | 157 | 82.5 Ų | 82.5 | 73% | 0.727 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.2 | -31.3 | 176.5 | -95.8 | -76.1 | 0 | 0 | 0 | 112.9 | S145 | S145-H149 PolarHBondContact O-N 3.21Å |
| 150 | R | 57.1 | Low | 62.4 | Low | 87 Ų | 87 | 85.9 Ų | 85.9 | 33% | 0.328 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.1 | -46.9 | 175 | -166.3 | 179.5 | -169.3 | 166.1 | 10.1 | 111.8 | Q147 L148 G152 K153 D154 C183 | Q147-R150 PolarHBondContact O-N 3.02Å; L148-R150 PolarHBondContact O-N 3.38Å; R150-G152 PolarHBondContact O-N 3.05Å; R150-K153 PolarHBondContact O-N 3.35Å; R150-D154 PolarHBondContact O-N 3.29Å; R150-C183 PolarHBondContact NE-SG 2.87Å; R150-C183 PolarHBondContact NH1-O 3.03Å; R150-C183 VanDerWaalsContact NH2-CA 3.34Å; R150-C183 PolarHBondContact NH2-SG 3.48Å |
| 151 | K | 54.6 | Low | 59.9 | Low | 167 Ų | 167 | 92.7 Ų | 92.7 | 73% | 0.726 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.1 | -30.5 | 179.8 | -167.4 | 169.1 | 179.7 | 177.8 | 0 | 113.1 | Q147 L148 | Q147-K151 PolarHBondContact O-N 3.42Å; L148-K151 PolarHBondContact O-N 2.97Å |
| 152 | G | 52.7 | Low | 57.5 | Low | 48 Ų | 48 | 96.3 Ų | 96.3 | 50% | 0.495 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -77.2 | -19.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L148 R150 S155 | L148-G152 PolarHBondContact O-N 3.48Å; R150-G152 PolarHBondContact O-N 3.05Å; G152-S155 PolarHBondContact O-OG 2.89Å; G152-S155 VanDerWaalsContact O-OG 3.09Å |
| 153 | K | 48.1 | Very low | 54.6 | Low | 178 Ų | 178 | 99 Ų | 99 | 77% | 0.774 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -87 | -26 | 178.7 | -159.5 | 166.8 | -179 | 178.2 | 0 | 112.5 | R150 | R150-K153 PolarHBondContact O-N 3.35Å |
| 154 | D | 46.8 | Very low | 52.1 | Low | 111 Ų | 111 | 108 Ų | 108 | 59% | 0.594 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -6.9 | 175.1 | -62.8 | -33.5 | 0 | 0 | 0 | 113.4 | R150 | R150-D154 PolarHBondContact O-N 3.29Š|
| 155 | S | 39 | Very low | 49.6 | Very low | 90 Ų | 90 | 112.5 Ų | 112.5 | 63% | 0.629 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 10.3 | -179.9 | 60 | 0 | 0 | 0 | 0 | 115 | G152 | G152-S155 PolarHBondContact O-OG 2.89Å; G152-S155 VanDerWaalsContact O-OG 3.09Å |
| 156 | C | 37.5 | Very low | 47.3 | Very low | 118 Ų | 118 | 118.1 Ų | 118.1 | 80% | 0.797 | 66% | 0.661 | S | S | * | * | trans | -105.2 | 53.8 | 177.4 | -165.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 157 | C | 34 | Very low | 45.6 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 73% | 0.73 | 69% | 0.688 | S | S | * | * | trans | -118.5 | 116.5 | 156.5 | -159.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 158 | P | 36.9 | Very low | 43.9 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | trans | -60.4 | 145.4 | 172.9 | 25.5 | -30.3 | 0 | 0 | 0 | 108.7 | G160 | P158-G160 PolarHBondContact O-N 3.34Š| ||
| 159 | P | 42.6 | Very low | 43.3 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | -66.1 | 94.6 | 167.7 | 25 | -25.2 | 0 | 0 | 0 | 107 | I161 | P159-I161 PolarHBondContact O-N 3.38Š| ||
| 160 | G | 37.3 | Very low | 42.5 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | trans | -57.9 | 117.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | P158 | P158-G160 PolarHBondContact O-N 3.34Š| ||
| 161 | I | 44.1 | Very low | 42 | Very low | 162 Ų | 162 | 129.2 Ų | 129.2 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | trans | -57.6 | 137 | 175.1 | -73.3 | 160.9 | 0 | 0 | 0 | 110 | P159 | P159-I161 PolarHBondContact O-N 3.38Š| ||
| 162 | D | 43.4 | Very low | 41.5 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | -43.3 | 133.6 | 172.5 | -149.1 | -0.3 | 0 | 0 | 0 | 113.6 | ||||
| 163 | S | 33.4 | Very low | 41.5 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -158.5 | 126 | 163.6 | -77.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 164 | K | 39 | Very low | 41.3 | Very low | 193 Ų | 193 | 132.4 Ų | 132.4 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -63.6 | 155.5 | -178.3 | -69.7 | 175.9 | 165.4 | 179.6 | 0 | 114.6 | ||||
| 165 | T | 37.4 | Very low | 41 | Very low | 113 Ų | 113 | 134 Ų | 134 | 69% | 0.693 | 77% | 0.772 | S | S | * | * | trans | 84 | 121.6 | 135.9 | -73.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 166 | E | 37 | Very low | 41.3 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | 82.9 | 112.8 | 145.1 | -75.9 | 168.3 | 168.5 | 0 | 0 | 123.1 | ||||
| 167 | D | 41.1 | Very low | 41.3 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | 46.1 | 113.7 | 127 | -154.9 | 34 | 0 | 0 | 0 | 120.2 | |||||
| 168 | S | 38.3 | Very low | 41.7 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -174.3 | 120.3 | 144.6 | -82.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 169 | D | 49.1 | Very low | 41.8 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -64.9 | 124.1 | 171.1 | -77.4 | -50.2 | 0 | 0 | 0 | 113.6 | ||||
| 170 | I | 44.3 | Very low | 42 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | trans | -151.8 | 125.6 | 148.7 | -48.3 | 177.9 | 0 | 0 | 0 | 109.3 | I172 | I170-I172 HydrophobicContact CG2-CD1 4.26Å; I170-I172 HydrophobicContact CG2-CG1 3.96Å | ||
| 171 | P | 45.9 | Very low | 42.5 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -94.7 | 108 | 167.2 | 33.5 | -23.3 | 0 | 0 | 0 | 109.7 | ||||
| 172 | I | 43.1 | Very low | 42.7 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | trans | -115.9 | 108.5 | 161.1 | -61 | 177 | 0 | 0 | 0 | 107.2 | I170 E174 | I170-I172 HydrophobicContact CG2-CD1 4.26Å; I170-I172 HydrophobicContact CG2-CG1 3.96Å; I172-E174 HydrophobicContact CG2-CG 4.49Å; I172-E174 PolarHBondContact O-N 2.88Å | ||
| 173 | L | 53.9 | Low | 43.3 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | trans | -72 | 100 | 175.4 | -136.6 | 165.3 | 0 | 0 | 0 | 107.4 | ||||
| 174 | E | 42.9 | Very low | 44.5 | Very low | 172 Ų | 172 | 125.4 Ų | 125.4 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | -112.6 | 102.6 | 159.2 | -79.7 | -171.3 | 131.5 | 0 | 0 | 108.2 | I172 T176 | I172-E174 HydrophobicContact CG2-CG 4.49Å; I172-E174 PolarHBondContact O-N 2.88Å; E174-T176 VanDerWaalsContact C-N 3.31Å; E174-T176 PolarHBondContact O-N 3.41Å | ||
| 175 | D | 41.4 | Very low | 45.7 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | trans | -57 | 90.2 | 167.1 | -94.7 | -39.4 | 0 | 0 | 0 | 109.6 | ||||
| 176 | T | 45.8 | Very low | 47.1 | Very low | 117 Ų | 117 | 119.5 Ų | 119.5 | 72% | 0.718 | 68% | 0.68 | S | S | * | * | trans | -130.7 | 77.9 | 152.6 | -37.5 | 0 | 0 | 0 | 0 | 107.9 | E174 S178 | E174-T176 VanDerWaalsContact C-N 3.31Å; E174-T176 PolarHBondContact O-N 3.41Å; T176-S178 PolarHBondContact O-N 2.91Å | ||
| 177 | S | 36.3 | Very low | 48.4 | Very low | 117 Ų | 117 | 113.5 Ų | 113.5 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | trans | -64.7 | 83 | 164.8 | 173.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 178 | S | 42.1 | Very low | 49.9 | Very low | 94 Ų | 94 | 115.7 Ų | 115.7 | 66% | 0.657 | 66% | 0.655 | S | S | * | * | trans | -95 | 97.1 | 158.3 | 57.6 | 0 | 0 | 0 | 0 | 107.3 | T176 P180 | T176-S178 PolarHBondContact O-N 2.91Å; S178-P180 VanDerWaalsContact O-CD 3.31Å; S178-P180 WeakPolarHBondContact O-CD 3.34Å | ||
| 179 | S | 39.7 | Very low | 52 | Low | 75 Ų | 75 | 114 Ų | 114 | 52% | 0.524 | 64% | 0.636 | S | S | . | * | trans | -60.5 | 122 | 170.4 | 47.1 | 0 | 0 | 0 | 0 | 109.8 | T181 | S179-T181 PolarHBondContact O-N 3.27Š| ||
| 180 | P | 47 | Very low | 53.9 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 75% | 0.747 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 6 | 178.5 | -12.5 | 28.8 | 0 | 0 | 0 | 114.3 | S178 | S178-P180 VanDerWaalsContact O-CD 3.31Å; S178-P180 WeakPolarHBondContact O-CD 3.34Å |
| 181 | T | 46.8 | Very low | 56 | Low | 102 Ų | 102 | 102.6 Ų | 102.6 | 63% | 0.626 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -17.8 | -160.5 | -42.2 | 0 | 0 | 0 | 0 | 114.5 | S179 C183 P184 | S179-T181 PolarHBondContact O-N 3.27Å; T181-C183 VanDerWaalsContact C-N 3.34Å; T181-C183 PolarHBondContact O-N 3.29Å; T181-P184 WeakPolarHBondContact O-CD 3.26Å |
| 182 | D | 49.9 | Very low | 58.2 | Low | 110 Ų | 110 | 98.7 Ų | 98.7 | 59% | 0.588 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -84.4 | -6.6 | -175.5 | -61.8 | -44.9 | 0 | 0 | 0 | 114 | ||
| 183 | C | 54.4 | Low | 60.6 | Low | 41 Ų | 41 | 93.1 Ų | 93.1 | 28% | 0.277 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.6 | -47.6 | -174.3 | -166.5 | 0 | 0 | 0 | 0 | 114.4 | R150 T181 | R150-C183 PolarHBondContact NE-SG 2.87Å; R150-C183 PolarHBondContact NH1-O 3.03Å; R150-C183 VanDerWaalsContact NH2-CA 3.34Å; R150-C183 PolarHBondContact NH2-SG 3.48Å; T181-C183 VanDerWaalsContact C-N 3.34Å; T181-C183 PolarHBondContact O-N 3.29Å |
| 184 | P | 59.7 | Low | 62.6 | Low | 90 Ų | 90 | 87.1 Ų | 87.1 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.7 | -37.2 | -178.4 | -18 | 32.5 | 0 | 0 | 0 | 113.1 | T181 C187 W188 | T181-P184 WeakPolarHBondContact O-CD 3.26Å; P184-C187 PolarHBondContact O-N 3.23Å; P184-W188 PolarHBondContact O-N 3.21Å; P184-W188 VanDerWaalsContact O-N 3.13Å |
| 185 | Q | 64.4 | Low | 65.2 | Low | 134 Ų | 134 | 85 Ų | 85 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -70.4 | -37.8 | -173 | -168.1 | 163.7 | 1.1 | 0 | 0 | 112.3 | W188 L189 | Q185-W188 PolarHBondContact O-N 3.05Å; Q185-L189 WeakPolarHBondContact O-CG 3.4Å; Q185-L189 PolarHBondContact O-N 2.87Å |
| 186 | L | 65.5 | Low | 67.9 | Low | 49 Ų | 49 | 80.9 Ų | 80.9 | 26% | 0.257 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.2 | -37.8 | 176.4 | -161.6 | 75.5 | 0 | 0 | 0 | 112 | D75 P77 W188 L189 V190 | D75-L186 HydrophobicContact CB-CD2 4.17Å; D75-L186 WeakPolarHBondContact OD2-CG 3.46Å; P77-L186 HydrophobicContact CG-CD1 4.42Å; L186-W188 VanDerWaalsContact C-N 3.33Å; L186-W188 PolarHBondContact O-N 3.31Å; L186-L189 PolarHBondContact O-N 2.92Å; L186-V190 WeakPolarHBondContact O-CG2 3.31Å; L186-V190 PolarHBondContact O-N 3.5Å |
| 187 | C | 65.1 | Low | 70.4 | Confident | 51 Ų | 51 | 75.4 Ų | 75.4 | 35% | 0.345 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 174.5 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | P184 L189 V190 A191 | P184-C187 PolarHBondContact O-N 3.23Å; C187-L189 VanDerWaalsContact C-N 3.35Å; C187-L189 PolarHBondContact O-N 3.25Å; C187-V190 PolarHBondContact O-N 2.93Å; C187-A191 PolarHBondContact O-N 3.44Å; C187-A191 VanDerWaalsContact O-N 3.14Å |
| 188 | W | 72.8 | Confident | 73.3 | Confident | 191 Ų | 191 | 73.4 Ų | 73.4 | 72% | 0.723 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.3 | -40.6 | 177.5 | -143 | 91.7 | 0 | 0 | 0 | 112.2 | P184 Q185 L186 A191 T192 | P184-W188 PolarHBondContact O-N 3.21Å; P184-W188 VanDerWaalsContact O-N 3.13Å; Q185-W188 PolarHBondContact O-N 3.05Å; L186-W188 VanDerWaalsContact C-N 3.33Å; L186-W188 PolarHBondContact O-N 3.31Å; W188-A191 PolarHBondContact O-N 3.4Å; W188-T192 WeakPolarHBondContact CZ3-OG1 3.49Å; W188-T192 PolarHBondContact O-N 2.97Å; W188-T192 PolarHBondContact O-OG1 3.13Å |
| 189 | L | 83.1 | Confident | 76 | Confident | 84 Ų | 84 | 74.2 Ų | 74.2 | 44% | 0.44 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 177.1 | -75 | 161.1 | 0 | 0 | 0 | 112.7 | Q185 L186 C187 A191 T192 D193 | Q185-L189 WeakPolarHBondContact O-CG 3.4Å; Q185-L189 PolarHBondContact O-N 2.87Å; L186-L189 PolarHBondContact O-N 2.92Å; C187-L189 VanDerWaalsContact C-N 3.35Å; C187-L189 PolarHBondContact O-N 3.25Å; L189-A191 VanDerWaalsContact C-N 3.3Å; L189-A191 PolarHBondContact O-N 2.89Å; L189-T192 PolarHBondContact O-N 3.28Å; L189-D193 PolarHBondContact O-N 3.5Å |
| 190 | V | 87.3 | Confident | 78.8 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 5% | 0.048 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.3 | -35.6 | 177.2 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | L143 Q147 L186 C187 D193 I194 | L143-V190 HydrophobicContact CB-CG1 4.17Å; L143-V190 HydrophobicContact CD2-CG1 4.34Å; Q147-V190 HydrophobicContact CG-CB 4.13Å; Q147-V190 HydrophobicContact CG-CG1 3.83Å; Q147-V190 VanDerWaalsContact NE2-CG1 3.26Å; Q147-V190 PolarHBondContact NE2-O 3.2Å; L186-V190 WeakPolarHBondContact O-CG2 3.31Å; L186-V190 PolarHBondContact O-N 3.5Å; C187-V190 PolarHBondContact O-N 2.93Å; V190-D193 PolarHBondContact O-N 3.32Å; V190-I194 HydrophobicContact CG1-CD1 4.44Å; V190-I194 WeakPolarHBondContact O-CG1 3.26Å; V190-I194 PolarHBondContact O-N 3.21Å |
| 191 | A | 89.8 | Confident | 81.3 | Confident | 44 Ų | 44 | 67.5 Ų | 67.5 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C187 W188 L189 D193 I194 E195 | C187-A191 PolarHBondContact O-N 3.44Å; C187-A191 VanDerWaalsContact O-N 3.14Å; W188-A191 PolarHBondContact O-N 3.4Å; L189-A191 VanDerWaalsContact C-N 3.3Å; L189-A191 PolarHBondContact O-N 2.89Å; A191-D193 VanDerWaalsContact C-N 3.33Å; A191-D193 PolarHBondContact O-N 3.25Å; A191-I194 PolarHBondContact O-N 3.08Å; A191-E195 PolarHBondContact O-N 3.43Å |
| 192 | T | 92.2 | Very high | 83.8 | Confident | 45 Ų | 45 | 68.5 Ų | 68.5 | 28% | 0.276 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61 | -41 | 172.8 | -56.4 | 0 | 0 | 0 | 0 | 112 | W188 L189 I194 E195 N196 | W188-T192 WeakPolarHBondContact CZ3-OG1 3.49Å; W188-T192 PolarHBondContact O-N 2.97Å; W188-T192 PolarHBondContact O-OG1 3.13Å; L189-T192 PolarHBondContact O-N 3.28Å; T192-I194 PolarHBondContact O-N 3.1Å; T192-E195 PolarHBondContact O-N 3.13Å; T192-N196 WeakPolarHBondContact O-CB 3.42Å; T192-N196 VanDerWaalsContact O-CG 3.3Å; T192-N196 PolarHBondContact O-N 3Å; T192-N196 PolarHBondContact O-ND2 3.15Å |
| 193 | D | 93.6 | Very high | 86.1 | Confident | 22 Ų | 22 | 66.9 Ų | 66.9 | 12% | 0.118 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 176.6 | -75 | -30.6 | 0 | 0 | 0 | 112 | R80 L189 V190 A191 N196 I197 | R80-D193 WeakPolarHBondContact CD-OD2 3.45Å; R80-D193 IonicContact CZ-OD2 2.69Å; R80-D193 IonicContact NE-OD2 3.45Å; R80-D193 IonicContact NH1-OD2 3.66Å; R80-D193 PolarHBondContact NH1-OD2 3.24Å; L189-D193 PolarHBondContact O-N 3.5Å; V190-D193 PolarHBondContact O-N 3.32Å; A191-D193 VanDerWaalsContact C-N 3.33Å; A191-D193 PolarHBondContact O-N 3.25Å; D193-N196 PolarHBondContact O-N 3.02Å; D193-I197 WeakPolarHBondContact O-CD1 3.47Å; D193-I197 WeakPolarHBondContact O-CG1 3.41Å; D193-I197 PolarHBondContact O-N 2.95Å |
| 194 | I | 95.8 | Very high | 88.2 | Confident | 23 Ų | 23 | 65 Ų | 65 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.6 | -50.4 | 176 | -70.9 | 173.8 | 0 | 0 | 0 | 110.8 | V140 L143 Q147 V190 A191 T192 N196 I197 E198 | V140-I194 HydrophobicContact CG1-CG2 3.91Å; V140-I194 HydrophobicContact CG2-CG2 4.47Å; L143-I194 HydrophobicContact CB-CD1 4.04Å; L143-I194 HydrophobicContact CB-CG1 3.93Å; L143-I194 HydrophobicContact CD1-CG1 4.48Å; Q147-I194 VanDerWaalsContact NE2-CD1 3.31Å; V190-I194 HydrophobicContact CG1-CD1 4.44Å; V190-I194 WeakPolarHBondContact O-CG1 3.26Å; V190-I194 PolarHBondContact O-N 3.21Å; A191-I194 PolarHBondContact O-N 3.08Å; T192-I194 PolarHBondContact O-N 3.1Å; I194-N196 VanDerWaalsContact C-N 3.28Å; I194-N196 PolarHBondContact O-N 3.36Å; I194-I197 PolarHBondContact O-N 3.38Å; I194-I197 VanDerWaalsContact O-N 3.11Å; I194-E198 HydrophobicContact CG2-CG 4.37Å; I194-E198 WeakPolarHBondContact O-CG 3.5Å; I194-E198 PolarHBondContact O-N 3.28Å |
| 195 | E | 96.7 | Very high | 90 | Very high | 127 Ų | 127 | 65.3 Ų | 65.3 | 59% | 0.593 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.3 | -42 | 179.8 | -175.1 | -177.7 | -179.3 | 0 | 0 | 111.7 | A191 T192 E198 K199 | A191-E195 PolarHBondContact O-N 3.43Å; T192-E195 PolarHBondContact O-N 3.13Å; E195-E198 PolarHBondContact O-N 3.02Å; E195-K199 WeakPolarHBondContact O-CB 3.47Å; E195-K199 PolarHBondContact O-N 3.45Å |
| 196 | N | 97.8 | Very high | 91.6 | Very high | 60 Ų | 60 | 63.3 Ų | 63.3 | 32% | 0.321 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 176.2 | -74.2 | -42.4 | 0 | 0 | 0 | 112.1 | T192 D193 I194 E198 K199 D200 | T192-N196 WeakPolarHBondContact O-CB 3.42Å; T192-N196 VanDerWaalsContact O-CG 3.3Å; T192-N196 PolarHBondContact O-N 3Å; T192-N196 PolarHBondContact O-ND2 3.15Å; D193-N196 PolarHBondContact O-N 3.02Å; I194-N196 VanDerWaalsContact C-N 3.28Å; I194-N196 PolarHBondContact O-N 3.36Å; N196-E198 VanDerWaalsContact C-N 3.35Å; N196-K199 PolarHBondContact O-N 3.24Å; N196-D200 PolarHBondContact O-N 3.22Å |
| 197 | I | 98.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 176.2 | -63.5 | 159.2 | 0 | 0 | 0 | 110.4 | M136 V140 L143 D193 I194 K199 D200 M201 | M136-I197 HydrophobicContact CB-CG2 3.98Å; M136-I197 HydrophobicContact CG-CG2 4.29Å; V140-I197 HydrophobicContact CG2-CB 3.89Å; V140-I197 HydrophobicContact CG2-CG2 3.54Å; L143-I197 HydrophobicContact CD1-CD1 3.64Å; D193-I197 WeakPolarHBondContact O-CD1 3.47Å; D193-I197 WeakPolarHBondContact O-CG1 3.41Å; D193-I197 PolarHBondContact O-N 2.95Å; I194-I197 PolarHBondContact O-N 3.38Å; I194-I197 VanDerWaalsContact O-N 3.11Å; I197-K199 VanDerWaalsContact C-N 3.31Å; I197-K199 PolarHBondContact O-N 2.87Å; I197-D200 PolarHBondContact O-N 3.22Å; I197-M201 VanDerWaalsContact O-CB 3.26Å; I197-M201 WeakPolarHBondContact O-CB 3.44Å; I197-M201 PolarHBondContact O-N 3.44Å |
| 198 | E | 98.4 | Very high | 94.7 | Very high | 74 Ų | 74 | 60 Ų | 60 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 178.3 | -71.6 | -174.2 | 153.3 | 0 | 0 | 112.3 | V140 I194 E195 N196 M201 R202 | V140-E198 HydrophobicContact CG1-CG 4.35Å; V140-E198 HydrophobicContact CG2-CG 4Å; I194-E198 HydrophobicContact CG2-CG 4.37Å; I194-E198 WeakPolarHBondContact O-CG 3.5Å; I194-E198 PolarHBondContact O-N 3.28Å; E195-E198 PolarHBondContact O-N 3.02Å; N196-E198 VanDerWaalsContact C-N 3.35Å; E198-M201 PolarHBondContact O-N 2.96Å; E198-R202 WeakPolarHBondContact O-CG 3.49Å; E198-R202 PolarHBondContact O-N 3.04Å |
| 199 | K | 98.5 | Very high | 95.8 | Very high | 111 Ų | 111 | 53.9 Ų | 53.9 | 48% | 0.483 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.2 | -53 | 173.6 | -179.7 | -175.8 | 172.6 | -179.6 | 0 | 111.1 | E195 N196 I197 M201 R202 D203 | E195-K199 WeakPolarHBondContact O-CB 3.47Å; E195-K199 PolarHBondContact O-N 3.45Å; N196-K199 PolarHBondContact O-N 3.24Å; I197-K199 VanDerWaalsContact C-N 3.31Å; I197-K199 PolarHBondContact O-N 2.87Å; K199-M201 PolarHBondContact O-N 3.27Å; K199-R202 WeakPolarHBondContact O-CB 3.44Å; K199-R202 PolarHBondContact O-N 3Å; K199-R202 VanDerWaalsContact O-N 3.09Å; K199-D203 PolarHBondContact O-N 3.37Å |
| 200 | D | 98.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 17% | 0.166 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 179 | -73.6 | -23.6 | 0 | 0 | 0 | 111.2 | R87 M136 N196 I197 R202 D203 M204 | R87-D200 IonicContact CZ-OD2 3.14Å; R87-D200 IonicContact NE-OD2 3.69Å; R87-D200 PolarHBondContact NE-OD2 2.92Å; R87-D200 IonicContact NH2-OD2 2.65Å; R87-D200 PolarHBondContact NH2-OD2 3.35Å; M136-D200 HydrophobicContact CE-CB 4.06Å; N196-D200 PolarHBondContact O-N 3.22Å; I197-D200 PolarHBondContact O-N 3.22Å; D200-R202 PolarHBondContact O-N 2.95Å; D200-D203 PolarHBondContact O-N 3.26Å; D200-M204 VanDerWaalsContact O-CG 3.31Å; D200-M204 WeakPolarHBondContact O-CG 3.39Å; D200-M204 PolarHBondContact O-N 3.21Å |
| 201 | M | 98.6 | Very high | 96.7 | Very high | 18 Ų | 18 | 55 Ų | 55 | 9% | 0.089 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 175.6 | -177.1 | -175.8 | 53.1 | 0 | 0 | 112 | I133 M136 L137 I197 E198 K199 D203 M204 K205 | I133-M201 HydrophobicContact CG2-CG 4.02Å; I133-M201 HydrophobicContact CG2-SD 4.48Å; M136-M201 HydrophobicContact CB-CB 4.24Å; M136-M201 HydrophobicContact CB-CG 4.34Å; M136-M201 HydrophobicContact SD-CB 3.99Å; L137-M201 HydrophobicContact CB-SD 4.05Å; L137-M201 HydrophobicContact CD1-SD 4.39Å; I197-M201 VanDerWaalsContact O-CB 3.26Å; I197-M201 WeakPolarHBondContact O-CB 3.44Å; I197-M201 PolarHBondContact O-N 3.44Å; E198-M201 PolarHBondContact O-N 2.96Å; K199-M201 PolarHBondContact O-N 3.27Å; M201-D203 VanDerWaalsContact C-N 3.32Å; M201-M204 PolarHBondContact O-N 3.46Å; M201-K205 WeakPolarHBondContact O-CG 3.5Å; M201-K205 PolarHBondContact O-N 2.85Å |
| 202 | R | 98.6 | Very high | 96.8 | Very high | 124 Ų | 124 | 58.1 Ų | 58.1 | 47% | 0.468 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 173.8 | -72.8 | -175.7 | -64.7 | -92.9 | 5.3 | 110.8 | E198 K199 D200 M204 K205 N206 | E198-R202 WeakPolarHBondContact O-CG 3.49Å; E198-R202 PolarHBondContact O-N 3.04Å; K199-R202 WeakPolarHBondContact O-CB 3.44Å; K199-R202 PolarHBondContact O-N 3Å; K199-R202 VanDerWaalsContact O-N 3.09Å; D200-R202 PolarHBondContact O-N 2.95Å; R202-M204 PolarHBondContact O-N 3.45Å; R202-K205 PolarHBondContact O-N 3.22Å; R202-N206 VanDerWaalsContact O-CG 3.24Å; R202-N206 PolarHBondContact O-N 3.47Å; R202-N206 PolarHBondContact O-ND2 3.38Å |
| 203 | D | 98.4 | Very high | 96.6 | Very high | 75 Ų | 75 | 62.6 Ų | 62.6 | 40% | 0.401 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 178.3 | -70.7 | -15.2 | 0 | 0 | 0 | 112 | K199 D200 M201 N206 L207 | K199-D203 PolarHBondContact O-N 3.37Å; D200-D203 PolarHBondContact O-N 3.26Å; M201-D203 VanDerWaalsContact C-N 3.32Å; D203-N206 WeakPolarHBondContact O-CB 3.41Å; D203-N206 PolarHBondContact O-N 2.9Å; D203-L207 PolarHBondContact O-N 2.86Å |
| 204 | M | 98.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.5 | -37.1 | 175.2 | -67.7 | -54.1 | 96.7 | 0 | 0 | 112.2 | C91 A94 L129 Y132 I133 M136 D200 M201 R202 L207 L208 | C91-M204 HydrophobicContact CB-CE 3.98Å; C91-M204 HydrophobicContact CB-SD 4.41Å; A94-M204 HydrophobicContact CB-SD 3.86Å; L129-M204 HydrophobicContact CD2-CB 4.41Å; L129-M204 HydrophobicContact CD2-SD 4.07Å; Y132-M204 HydrophobicContact CD1-CG 4.18Å; Y132-M204 HydrophobicContact CD1-SD 4.43Å; Y132-M204 HydrophobicContact CE1-CG 4.23Å; Y132-M204 HydrophobicContact CE1-SD 4.35Å; I133-M204 HydrophobicContact CD1-CB 4.19Å; I133-M204 HydrophobicContact CG1-CB 3.72Å; M136-M204 HydrophobicContact CE-CG 4.04Å; M136-M204 HydrophobicContact SD-CG 4.18Å; D200-M204 VanDerWaalsContact O-CG 3.31Å; D200-M204 WeakPolarHBondContact O-CG 3.39Å; D200-M204 PolarHBondContact O-N 3.21Å; M201-M204 PolarHBondContact O-N 3.46Å; R202-M204 PolarHBondContact O-N 3.45Å; M204-L207 HydrophobicContact CE-CD2 4.4Å; M204-L207 WeakPolarHBondContact O-CB 3.45Å; M204-L207 PolarHBondContact O-N 3.28Å; M204-L207 HydrophobicContact SD-CD2 4.37Å; M204-L208 WeakPolarHBondContact O-CB 3.44Å; M204-L208 PolarHBondContact O-N 2.98Å |
| 205 | K | 98.2 | Very high | 95.7 | Very high | 96 Ų | 96 | 63.8 Ų | 63.8 | 42% | 0.417 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 171.6 | -75.8 | 174.7 | 179.3 | 177.4 | 0 | 111.6 | I133 M201 R202 L207 L208 S209 | I133-K205 HydrophobicContact CD1-CG 3.9Å; I133-K205 HydrophobicContact CG1-CG 4.31Å; I133-K205 HydrophobicContact CG2-CD 4.4Å; I133-K205 HydrophobicContact CG2-CG 3.92Å; M201-K205 WeakPolarHBondContact O-CG 3.5Å; M201-K205 PolarHBondContact O-N 2.85Å; R202-K205 PolarHBondContact O-N 3.22Å; K205-L207 VanDerWaalsContact C-N 3.29Å; K205-L207 PolarHBondContact O-N 3.32Å; K205-L208 WeakPolarHBondContact O-CB 3.48Å; K205-L208 PolarHBondContact O-N 3.38Å; K205-S209 PolarHBondContact O-N 3.02Å; K205-S209 PolarHBondContact O-OG 2.88Å |
| 206 | N | 98.1 | Very high | 94.8 | Very high | 91 Ų | 91 | 58.3 Ų | 58.3 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 175.5 | -68.7 | -27.5 | 0 | 0 | 0 | 111.6 | R202 D203 S209 K210 | R202-N206 VanDerWaalsContact O-CG 3.24Å; R202-N206 PolarHBondContact O-N 3.47Å; R202-N206 PolarHBondContact O-ND2 3.38Å; D203-N206 WeakPolarHBondContact O-CB 3.41Å; D203-N206 PolarHBondContact O-N 2.9Å; N206-S209 PolarHBondContact O-N 3.03Å; N206-K210 WeakPolarHBondContact O-CG 3.32Å; N206-K210 PolarHBondContact O-N 3.42Å; N206-K210 VanDerWaalsContact O-N 3.13Å |
| 207 | L | 98.3 | Very high | 93.3 | Very high | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.089 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -41 | 175.4 | -171.1 | 65.4 | 0 | 0 | 0 | 112.1 | A94 R95 H98 L129 D203 M204 K205 S209 K210 L211 | A94-L207 HydrophobicContact CB-CD2 3.93Å; R95-L207 HydrophobicContact CG-CD2 4.06Å; H98-L207 HydrophobicContact CB-CD1 3.79Å; H98-L207 HydrophobicContact CB-CD2 4.47Å; H98-L207 HydrophobicContact CB-CG 4.32Å; L129-L207 HydrophobicContact CD1-CD2 4.44Å; L129-L207 HydrophobicContact CD1-CG 4.42Å; L129-L207 HydrophobicContact CD2-CD2 4.25Å; D203-L207 PolarHBondContact O-N 2.86Å; M204-L207 HydrophobicContact CE-CD2 4.4Å; M204-L207 WeakPolarHBondContact O-CB 3.45Å; M204-L207 PolarHBondContact O-N 3.28Å; M204-L207 HydrophobicContact SD-CD2 4.37Å; K205-L207 VanDerWaalsContact C-N 3.29Å; K205-L207 PolarHBondContact O-N 3.32Å; L207-S209 VanDerWaalsContact C-N 3.35Å; L207-K210 PolarHBondContact O-N 2.99Å; L207-L211 PolarHBondContact O-N 3.45Å |
| 208 | L | 97.6 | Very high | 91.7 | Very high | 15 Ų | 15 | 64.4 Ų | 64.4 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 175.1 | 178.5 | 63.5 | 0 | 0 | 0 | 111.7 | Q126 L129 E130 I133 M204 K205 L211 R212 | Q126-L208 HydrophobicContact CG-CD1 3.84Å; L129-L208 HydrophobicContact CB-CD1 4.07Å; L129-L208 HydrophobicContact CD1-CB 4.46Å; L129-L208 HydrophobicContact CD1-CD1 4.42Å; E130-L208 HydrophobicContact CG-CD1 4.09Å; E130-L208 HydrophobicContact CG-CD2 3.67Å; I133-L208 HydrophobicContact CD1-CB 4.21Å; I133-L208 HydrophobicContact CD1-CD2 3.88Å; M204-L208 WeakPolarHBondContact O-CB 3.44Å; M204-L208 PolarHBondContact O-N 2.98Å; K205-L208 WeakPolarHBondContact O-CB 3.48Å; K205-L208 PolarHBondContact O-N 3.38Å; L208-L211 WeakPolarHBondContact O-CB 3.2Å; L208-L211 PolarHBondContact O-N 3.03Å; L208-R212 WeakPolarHBondContact O-CG 3.35Å; L208-R212 PolarHBondContact O-N 3.31Å; L208-R212 VanDerWaalsContact O-N 3.08Å |
| 209 | S | 95.4 | Very high | 89.9 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 43% | 0.427 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 174 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | K205 N206 L207 L211 R212 E213 | K205-S209 PolarHBondContact O-N 3.02Å; K205-S209 PolarHBondContact O-OG 2.88Å; N206-S209 PolarHBondContact O-N 3.03Å; L207-S209 VanDerWaalsContact C-N 3.35Å; S209-L211 VanDerWaalsContact C-N 3.31Å; S209-L211 PolarHBondContact O-N 3.15Å; S209-R212 PolarHBondContact O-N 3.45Å; S209-E213 WeakPolarHBondContact O-CG 3.35Å; S209-E213 PolarHBondContact O-N 3.37Å |
| 210 | K | 95.5 | Very high | 88 | Confident | 116 Ų | 116 | 61.1 Ų | 61.1 | 50% | 0.504 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 176.3 | -69.5 | 173.9 | -177.2 | -179 | 0 | 112.7 | N206 L207 E213 T214 | N206-K210 WeakPolarHBondContact O-CG 3.32Å; N206-K210 PolarHBondContact O-N 3.42Å; N206-K210 VanDerWaalsContact O-N 3.13Å; L207-K210 PolarHBondContact O-N 2.99Å; K210-E213 PolarHBondContact O-N 3.04Å; K210-T214 WeakPolarHBondContact O-CG2 3.29Å; K210-T214 PolarHBondContact O-N 3.37Å; K210-T214 PolarHBondContact O-OG1 3.48Å |
| 211 | L | 94.5 | Very high | 86 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.5 | -174.9 | 69.2 | 0 | 0 | 0 | 111.3 | L101 F122 L125 Q126 L129 L207 L208 S209 E213 T214 M215 | L101-L211 HydrophobicContact CD1-CD1 4.44Å; F122-L211 HydrophobicContact CD1-CD1 3.54Å; F122-L211 HydrophobicContact CD1-CG 4.14Å; F122-L211 HydrophobicContact CE1-CD1 3.64Å; F122-L211 HydrophobicContact CE1-CG 4.48Å; L125-L211 HydrophobicContact CB-CD2 4.18Å; L125-L211 HydrophobicContact CD2-CD1 3.85Å; L125-L211 HydrophobicContact CD2-CD2 4.17Å; L125-L211 HydrophobicContact CG-CD1 4.49Å; L125-L211 HydrophobicContact CG-CD2 3.93Å; Q126-L211 HydrophobicContact CB-CD2 3.82Å; L129-L211 HydrophobicContact CD1-CD2 4.01Å; L207-L211 PolarHBondContact O-N 3.45Å; L208-L211 WeakPolarHBondContact O-CB 3.2Å; L208-L211 PolarHBondContact O-N 3.03Å; S209-L211 VanDerWaalsContact C-N 3.31Å; S209-L211 PolarHBondContact O-N 3.15Å; L211-E213 VanDerWaalsContact C-N 3.34Å; L211-T214 PolarHBondContact O-N 2.87Å; L211-T214 PolarHBondContact O-OG1 2.82Å; L211-M215 PolarHBondContact O-N 3.33Å; L211-M215 VanDerWaalsContact O-N 3.1Å |
| 212 | R | 91.4 | Very high | 84 | Confident | 110 Ų | 110 | 70.9 Ų | 70.9 | 42% | 0.415 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.9 | -35.8 | 178.3 | -69.5 | 175.6 | 179.8 | 176.7 | -0 | 112.1 | E130 L208 S209 M215 | E130-R212 IonicContact OE1-CZ 3.47Å; E130-R212 IonicContact OE1-NE 3.78Å; E130-R212 IonicContact OE1-NH2 2.74Å; E130-R212 PolarHBondContact OE1-NH2 3.05Å; L208-R212 WeakPolarHBondContact O-CG 3.35Å; L208-R212 PolarHBondContact O-N 3.31Å; L208-R212 VanDerWaalsContact O-N 3.08Å; S209-R212 PolarHBondContact O-N 3.45Å; R212-M215 WeakPolarHBondContact O-CB 3.39Å; R212-M215 PolarHBondContact O-N 3.13Å |
| 213 | E | 88.5 | Confident | 82 | Confident | 138 Ų | 138 | 68 Ų | 68 | 65% | 0.645 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.3 | -38.8 | 175.3 | -73.8 | 171.7 | -173.4 | 0 | 0 | 112.7 | S209 K210 L211 M215 | S209-E213 WeakPolarHBondContact O-CG 3.35Å; S209-E213 PolarHBondContact O-N 3.37Å; K210-E213 PolarHBondContact O-N 3.04Å; L211-E213 VanDerWaalsContact C-N 3.34Å; E213-M215 VanDerWaalsContact C-N 3.32Å |
| 214 | T | 86.8 | Confident | 79.7 | Confident | 61 Ų | 61 | 71.7 Ų | 71.7 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 0.6 | -178.8 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | K210 L211 | K210-T214 WeakPolarHBondContact O-CG2 3.29Å; K210-T214 PolarHBondContact O-N 3.37Å; K210-T214 PolarHBondContact O-OG1 3.48Å; L211-T214 PolarHBondContact O-N 2.87Å; L211-T214 PolarHBondContact O-OG1 2.82Å |
| 215 | M | 82.5 | Confident | 77.4 | Confident | 10 Ų | 10 | 76.4 Ų | 76.4 | 5% | 0.049 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -69.2 | 138 | -176.7 | -157.3 | 173.6 | -72.2 | 0 | 0 | 111.4 | F122 Q126 L211 R212 E213 L219 | F122-M215 HydrophobicContact CB-CE 4.49Å; F122-M215 HydrophobicContact CB-CG 4.25Å; F122-M215 HydrophobicContact CD1-CB 4.32Å; F122-M215 HydrophobicContact CD1-CE 4.38Å; F122-M215 HydrophobicContact CD1-CG 3.95Å; F122-M215 HydrophobicContact CG-CG 4.22Å; Q126-M215 HydrophobicContact CB-CE 4.36Å; L211-M215 PolarHBondContact O-N 3.33Å; L211-M215 VanDerWaalsContact O-N 3.1Å; R212-M215 WeakPolarHBondContact O-CB 3.39Å; R212-M215 PolarHBondContact O-N 3.13Å; E213-M215 VanDerWaalsContact C-N 3.32Å; M215-L219 HydrophobicContact CG-CB 3.68Å; M215-L219 HydrophobicContact CG-CD1 3.59Å; M215-L219 HydrophobicContact CG-CG 4.25Å; M215-L219 HydrophobicContact SD-CB 3.5Å; M215-L219 WeakPolarHBondContact SD-CB 3.44Å; M215-L219 HydrophobicContact SD-CD1 3.74Å; M215-L219 HydrophobicContact SD-CG 4.25Å |
| 216 | P | 78.2 | Confident | 75.1 | Confident | 11 Ų | 11 | 75.8 Ų | 75.8 | 7% | 0.071 | 40% | 0.403 | C | S | . | . | trans | -56.9 | 142.2 | 178.6 | -22.3 | 28.5 | 0 | 0 | 0 | 112.9 | I114 F122 P218 L219 K220 | I114-P216 HydrophobicContact CD1-CB 3.64Å; I114-P216 HydrophobicContact CG1-CB 4.41Å; I114-P216 HydrophobicContact CG2-CB 4.22Å; I114-P216 HydrophobicContact CG2-CG 4.22Å; F122-P216 HydrophobicContact CD2-CG 4.09Å; F122-P216 HydrophobicContact CE2-CG 4.05Å; P216-P218 VanDerWaalsContact C-N 3.31Å; P216-P218 VanDerWaalsContact O-N 3.13Å; P216-L219 WeakPolarHBondContact O-CB 3.32Å; P216-L219 PolarHBondContact O-N 3.37Å; P216-K220 PolarHBondContact O-N 3.32Å | ||
| 217 | L | 67.4 | Low | 72.7 | Confident | 118 Ų | 118 | 77.3 Ų | 77.3 | 62% | 0.618 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -49.3 | -37.5 | -177 | -67.9 | 172.3 | 0 | 0 | 0 | 115.5 | L219 K220 N221 | L217-L219 PolarHBondContact O-N 3.46Å; L217-L219 VanDerWaalsContact O-N 3.15Å; L217-K220 PolarHBondContact O-N 3.27Å; L217-N221 PolarHBondContact O-N 3.35Å; L217-N221 PolarHBondContact O-ND2 3.33Å |
| 218 | P | 63 | Low | 70.3 | Confident | 72 Ų | 72 | 84.2 Ų | 84.2 | 47% | 0.468 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.1 | -25.9 | 175.1 | -26 | 35.6 | 0 | 0 | 0 | 114.2 | I114 P216 | I114-P218 HydrophobicContact CD1-CG 3.87Å; P216-P218 VanDerWaalsContact C-N 3.31Å; P216-P218 VanDerWaalsContact O-N 3.13Å |
| 219 | L | 60.7 | Low | 67.6 | Low | 17 Ų | 17 | 89.2 Ų | 89.2 | 9% | 0.089 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -90.5 | -41.2 | 176.6 | -59.9 | 179.5 | 0 | 0 | 0 | 111.6 | C119 F122 I123 M215 P216 L217 N221 Q222 | C119-L219 HydrophobicContact CB-CD1 3.96Å; C119-L219 HydrophobicContact CB-CD2 4.31Å; C119-L219 HydrophobicContact CB-CG 4.36Å; F122-L219 HydrophobicContact CB-CD1 3.99Å; I123-L219 HydrophobicContact CD1-CD2 3.85Å; I123-L219 HydrophobicContact CG1-CD1 4.17Å; I123-L219 HydrophobicContact CG1-CD2 4.17Å; M215-L219 HydrophobicContact CG-CB 3.68Å; M215-L219 HydrophobicContact CG-CD1 3.59Å; M215-L219 HydrophobicContact CG-CG 4.25Å; M215-L219 HydrophobicContact SD-CB 3.5Å; M215-L219 WeakPolarHBondContact SD-CB 3.44Å; M215-L219 HydrophobicContact SD-CD1 3.74Å; M215-L219 HydrophobicContact SD-CG 4.25Å; P216-L219 WeakPolarHBondContact O-CB 3.32Å; P216-L219 PolarHBondContact O-N 3.37Å; L217-L219 PolarHBondContact O-N 3.46Å; L217-L219 VanDerWaalsContact O-N 3.15Å; L219-N221 PolarHBondContact O-N 3.25Å; L219-Q222 WeakPolarHBondContact O-CB 3.49Å; L219-Q222 PolarHBondContact O-N 2.96Å |
| 220 | K | 59.7 | Low | 65 | Low | 99 Ų | 99 | 94.1 Ų | 94.1 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.9 | -32.7 | -178.4 | -166.3 | 169.3 | -175.2 | 169 | 0 | 113.5 | P216 L217 Q222 | P216-K220 PolarHBondContact O-N 3.32Å; L217-K220 PolarHBondContact O-N 3.27Å; K220-Q222 VanDerWaalsContact C-N 3.26Å; K220-Q222 PolarHBondContact O-N 2.93Å |
| 221 | N | 56.3 | Low | 62.2 | Low | 128 Ų | 128 | 92.9 Ų | 92.9 | 68% | 0.684 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -1.5 | 178.8 | -64.3 | -33.9 | 0 | 0 | 0 | 114.1 | L217 L219 | L217-N221 PolarHBondContact O-N 3.35Å; L217-N221 PolarHBondContact O-ND2 3.33Å; L219-N221 PolarHBondContact O-N 3.25Å |
| 222 | Q | 56.2 | Low | 59.6 | Low | 127 Ų | 127 | 99 Ų | 99 | 59% | 0.593 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -19.4 | 177.9 | -65.2 | -169.3 | -6 | 0 | 0 | 113.6 | L219 K220 S226 | L219-Q222 WeakPolarHBondContact O-CB 3.49Å; L219-Q222 PolarHBondContact O-N 2.96Å; K220-Q222 VanDerWaalsContact C-N 3.26Å; K220-Q222 PolarHBondContact O-N 2.93Å; Q222-S226 PolarHBondContact O-OG 3.49Å |
| 223 | D | 55.8 | Low | 56.9 | Low | 64 Ų | 64 | 103 Ų | 103 | 34% | 0.342 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.4 | -16.7 | -167.7 | -77.9 | -36.7 | 0 | 0 | 0 | 115.1 | L227 | D223-L227 WeakPolarHBondContact OD1-CD1 3.43Š|
| 224 | D | 52.1 | Low | 54.7 | Low | 151 Ų | 151 | 101.5 Ų | 101.5 | 81% | 0.807 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -1.4 | -171.2 | -79.7 | -36.3 | 0 | 0 | 0 | 115.7 | ||
| 225 | S | 49.4 | Very low | 53 | Low | 102 Ų | 102 | 107.2 Ų | 107.2 | 71% | 0.713 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.9 | -6.7 | -176.3 | -74.4 | 0 | 0 | 0 | 0 | 118.4 | N229 | S225-N229 PolarHBondContact O-ND2 3.3Š|
| 226 | S | 48.8 | Very low | 51.2 | Low | 83 Ų | 83 | 112 Ų | 112 | 58% | 0.58 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -128.6 | -18 | -169 | 60 | 0 | 0 | 0 | 0 | 117.3 | Q222 | Q222-S226 PolarHBondContact O-OG 3.49Š|
| 227 | L | 49.1 | Very low | 49.7 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 65% | 0.649 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -93.9 | -14.4 | -173.8 | -64.7 | -179.9 | 0 | 0 | 0 | 115.5 | D223 | D223-L227 WeakPolarHBondContact OD1-CD1 3.43Š|
| 228 | L | 46.6 | Very low | 48.6 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 85% | 0.848 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -111.4 | 0.2 | -179.9 | -65.8 | 178.6 | 0 | 0 | 0 | 114.8 | L230 | L228-L230 PolarHBondContact O-N 3.37Š|
| 229 | N | 41.2 | Very low | 47.8 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | trans | -79 | 72.3 | 170.2 | -79.1 | -53.9 | 0 | 0 | 0 | 110.1 | S225 T231 | S225-N229 PolarHBondContact O-ND2 3.3Å; N229-T231 PolarHBondContact O-N 3.44Å | ||
| 230 | L | 41.8 | Very low | 47 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | -70.1 | 53.4 | 159.8 | -75.6 | 165.4 | 0 | 0 | 0 | 110.2 | L228 | L228-L230 PolarHBondContact O-N 3.37Š| ||
| 231 | T | 36.5 | Very low | 46.5 | Very low | 89 Ų | 89 | 148.6 Ų | 148.6 | 55% | 0.546 | 74% | 0.74 | S | S | . | * | trans | -77.2 | 126 | 154.2 | 20.4 | 0 | 0 | 0 | 0 | 106.4 | N229 Y233 | N229-T231 PolarHBondContact O-N 3.44Å; T231-Y233 PolarHBondContact O-N 2.9Å | ||
| 232 | P | 39.3 | Very low | 46.4 | Very low | 129 Ų | 129 | 153 Ų | 153 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | trans | -71.3 | 86 | -179.8 | 29.4 | -31.9 | 0 | 0 | 0 | 108.3 | P234 | P232-P234 WeakPolarHBondContact O-CD 3.19Š| ||
| 233 | Y | 34.4 | Very low | 45.6 | Very low | 194 Ų | 194 | 156.8 Ų | 156.8 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | -75.4 | 120.1 | 163.8 | -99.1 | -86.6 | 0 | 0 | 0 | 107.5 | T231 L235 | T231-Y233 PolarHBondContact O-N 2.9Å; Y233-L235 PolarHBondContact O-N 3.03Å | ||
| 234 | P | 42.9 | Very low | 45 | Very low | 106 Ų | 106 | 162.3 Ų | 162.3 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | trans | -67.9 | 114.8 | -176.5 | 26.8 | -31.6 | 0 | 0 | 0 | 108.9 | P232 V236 | P232-P234 WeakPolarHBondContact O-CD 3.19Å; P234-V236 HydrophobicContact CB-CG2 4.23Å; P234-V236 PolarHBondContact O-N 3.26Å | ||
| 235 | L | 50.5 | Low | 45 | Very low | 181 Ų | 181 | 158.6 Ų | 158.6 | 95% | 0.948 | 78% | 0.781 | S | S | * | * | trans | -71.7 | 59.1 | 166.6 | -68.1 | 174.4 | 0 | 0 | 0 | 110.1 | Y233 R237 | Y233-L235 PolarHBondContact O-N 3.03Å; L235-R237 PolarHBondContact O-N 3.43Å | ||
| 236 | V | 44.7 | Very low | 44.8 | Very low | 112 Ų | 112 | 161.1 Ų | 161.1 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | trans | -83.2 | 97.6 | 164.2 | -178.2 | 0 | 0 | 0 | 0 | 106.6 | P234 Q238 | P234-V236 HydrophobicContact CB-CG2 4.23Å; P234-V236 PolarHBondContact O-N 3.26Å; V236-Q238 VanDerWaalsContact C-N 3.3Å; V236-Q238 PolarHBondContact O-N 3.16Å | ||
| 237 | R | 46.3 | Very low | 44.5 | Very low | 238 Ų | 238 | 163.6 Ų | 163.6 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -58.2 | 98.4 | 159.7 | -166.9 | 177.3 | -176.4 | 172.8 | 1.9 | 106.5 | L235 R239 | L235-R237 PolarHBondContact O-N 3.43Å; R237-R239 VanDerWaalsContact C-N 3.34Å; R237-R239 PolarHBondContact O-N 3.29Å | ||
| 238 | Q | 44.2 | Very low | 44 | Very low | 179 Ų | 179 | 163.2 Ų | 163.2 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -59.3 | 99.3 | 173.8 | -88.1 | -166.6 | -10 | 0 | 0 | 108.3 | V236 K240 | V236-Q238 VanDerWaalsContact C-N 3.3Å; V236-Q238 PolarHBondContact O-N 3.16Å; Q238-K240 PolarHBondContact O-N 3.27Å | ||
| 239 | R | 47.2 | Very low | 43.9 | Very low | 235 Ų | 235 | 163.8 Ų | 163.8 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -66.4 | 106.7 | 164.8 | -163.9 | 177.9 | -171.5 | 175.6 | 2.3 | 105.6 | R237 R241 | R237-R239 VanDerWaalsContact C-N 3.34Å; R237-R239 PolarHBondContact O-N 3.29Å; R239-R241 PolarHBondContact O-N 3.1Å | ||
| 240 | K | 43.9 | Very low | 43.7 | Very low | 200 Ų | 200 | 164.3 Ų | 164.3 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | trans | -44.7 | 100.3 | 175.2 | -162.2 | 173.3 | -173.6 | 176.6 | 0 | 108.6 | Q238 R242 | Q238-K240 PolarHBondContact O-N 3.27Å; K240-R242 PolarHBondContact O-N 2.76Å; K240-R242 VanDerWaalsContact O-N 3.1Å | ||
| 241 | R | 49.9 | Very low | 43.3 | Very low | 233 Ų | 233 | 163 Ų | 163 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -61.4 | 115.4 | 174.3 | -81.4 | -171.3 | -178.7 | -169 | 1.4 | 105.9 | R239 F243 | R239-R241 PolarHBondContact O-N 3.1Å; R241-F243 PolarHBondContact O-N 3Å | ||
| 242 | R | 52.9 | Low | 43.2 | Very low | 220 Ų | 220 | 167.6 Ų | 167.6 | 83% | 0.83 | 85% | 0.853 | S | S | * | * | trans | -64.6 | 117.8 | 161.7 | -66.1 | -175.9 | -169.7 | 175.9 | 2.4 | 105.4 | K240 F244 | K240-R242 PolarHBondContact O-N 2.76Å; K240-R242 VanDerWaalsContact O-N 3.1Å; R242-F244 PolarHBondContact O-N 2.98Å | ||
| 243 | F | 40.1 | Very low | 43.4 | Very low | 206 Ų | 206 | 169.5 Ų | 169.5 | 90% | 0.904 | 85% | 0.853 | S | S | * | * | trans | -56.9 | 110 | 170.1 | -88.4 | -97.6 | 0 | 0 | 0 | 107.9 | R241 | R241-F243 PolarHBondContact O-N 3Š| ||
| 244 | F | 42.5 | Very low | 43.9 | Very low | 181 Ų | 181 | 168.2 Ų | 168.2 | 79% | 0.794 | 86% | 0.858 | S | S | * | * | trans | -94 | 107.2 | 155.6 | -83.4 | -82.3 | 0 | 0 | 0 | 106 | R242 L246 | R242-F244 PolarHBondContact O-N 2.98Å; F244-L246 PolarHBondContact O-N 3.34Å | ||
| 245 | G | 52.7 | Low | 44 | Very low | 73 Ų | 73 | 171.7 Ų | 171.7 | 75% | 0.753 | 87% | 0.868 | S | S | * | * | trans | -63.1 | 123.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 246 | L | 44.6 | Very low | 43.6 | Very low | 155 Ų | 155 | 171.1 Ų | 171.1 | 81% | 0.812 | 86% | 0.863 | S | S | * | * | trans | -131.2 | 92.1 | 164 | -93 | 144.9 | 0 | 0 | 0 | 106.1 | F244 C248 | F244-L246 PolarHBondContact O-N 3.34Å; L246-C248 PolarHBondContact O-N 3.39Å | ||
| 247 | C | 44.2 | Very low | 43.5 | Very low | 134 Ų | 134 | 174.8 Ų | 174.8 | 91% | 0.905 | 87% | 0.874 | S | S | * | * | trans | -73.1 | 108.4 | 161.7 | -70.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 248 | C | 37.1 | Very low | 43.3 | Very low | 116 Ų | 116 | 170.6 Ų | 170.6 | 78% | 0.784 | 87% | 0.873 | S | S | * | * | trans | -136.9 | 87.5 | 156.5 | -69.7 | 0 | 0 | 0 | 0 | 107.7 | L246 | L246-C248 PolarHBondContact O-N 3.39Š| ||
| 249 | L | 46 | Very low | 43.3 | Very low | 175 Ų | 175 | 170 Ų | 170 | 92% | 0.916 | 88% | 0.875 | S | S | * | * | trans | -86.8 | 105 | 157.5 | -82.7 | 163.2 | 0 | 0 | 0 | 106.7 | ||||
| 250 | V | 35.3 | Very low | 43 | Very low | 129 Ų | 129 | 165 Ų | 165 | 78% | 0.782 | 87% | 0.874 | S | S | * | * | trans | -150.6 | 105.6 | 154.4 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 251 | T | 34.6 | Very low | 42.9 | Very low | 138 Ų | 138 | 162.1 Ų | 162.1 | 85% | 0.847 | 88% | 0.875 | S | S | * | * | trans | -162.7 | 114.5 | 133.5 | 47.1 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 252 | S | 34.7 | Very low | 42.2 | Very low | 185 Ų | 185 | 155.6 Ų | 155.6 | 100% | 1.294 | 87% | 0.874 | S | S | * | * | -82.1 | 0 | 56.4 | -44.7 | 0 | 0 | 0 | 0 | 117.7 |
Retrieved 252 of 252 residues in 47.8 ms
(Link to these results)