| 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 | 36.5 | Very low | 42.4 | Very low | 232 Ų | 232 | 151.8 Ų | 151.8 | 100% | 1.143 | 83% | 0.834 | S | S | * | * | 0 | 94.5 | 0 | -56.5 | -168.7 | 80.9 | 0 | 0 | 106.6 | |||||
| 2 | C | 39.7 | Very low | 43.1 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | 81.7 | 103 | 102.2 | -66.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 3 | S | 38.8 | Very low | 42.9 | Very low | 121 Ų | 121 | 156.6 Ų | 156.6 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | trans | 64.4 | 119.8 | 138.1 | -48.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 4 | A | 45.2 | Very low | 43.2 | Very low | 91 Ų | 91 | 154.6 Ų | 154.6 | 75% | 0.752 | 84% | 0.841 | S | S | * | * | trans | -75.2 | 172.6 | 149.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 5 | P | 54.4 | Low | 42.8 | Very low | 105 Ų | 105 | 150.3 Ų | 150.3 | 68% | 0.682 | 83% | 0.834 | S | S | * | * | -163.2 | -174.8 | 58 | 43.4 | -19.2 | 0 | 0 | 0 | 119.2 | |||||
| 6 | N | 37.6 | Very low | 42.7 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | trans | 68.5 | 118 | 148.1 | -63.8 | -23.1 | 0 | 0 | 0 | 119.8 | ||||
| 7 | G | 37.4 | Very low | 42.4 | Very low | 74 Ų | 74 | 146.2 Ų | 146.2 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | 101.9 | 124.6 | 71.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 8 | R | 45.6 | Very low | 42.4 | Very low | 234 Ų | 234 | 145.7 Ų | 145.7 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | 166 | 147.7 | 76.7 | -113.1 | 178.4 | 171.9 | 172.1 | 2.2 | 110.2 | |||||
| 9 | I | 48.7 | Very low | 42.6 | Very low | 147 Ų | 147 | 148.3 Ų | 148.3 | 75% | 0.754 | 82% | 0.819 | S | S | * | * | trans | 86.5 | 113.8 | 139.2 | -61.3 | 163.4 | 0 | 0 | 0 | 120.3 | ||||
| 10 | N | 38.2 | Very low | 42.4 | Very low | 151 Ų | 151 | 150.6 Ų | 150.6 | 81% | 0.807 | 82% | 0.823 | S | S | * | * | trans | -64.3 | 142.1 | 155.8 | -63.8 | -51.8 | 0 | 0 | 0 | 112.4 | ||||
| 11 | R | 44.6 | Very low | 42.5 | Very low | 241 Ų | 241 | 152 Ų | 152 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | -177.6 | 147.3 | 114.8 | -108.8 | -172.4 | 170.5 | 162.1 | -2.3 | 113 | |||||
| 12 | P | 50.3 | Low | 42.6 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | trans | -89 | 155.6 | 178.5 | 36.7 | -29.6 | 0 | 0 | 0 | 111.2 | ||||
| 13 | R | 40.2 | Very low | 42.9 | Very low | 252 Ų | 252 | 148.2 Ų | 148.2 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | trans | -130.7 | 105.1 | 157 | -97.5 | -173.1 | -175.1 | -164 | 1.7 | 109.3 | ||||
| 14 | S | 48 | Very low | 43.2 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -79.8 | 127.4 | 153.5 | -103.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 15 | A | 37.3 | Very low | 43.3 | Very low | 90 Ų | 90 | 149 Ų | 149 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | trans | -158.7 | 99 | 157 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 16 | A | 40.7 | Very low | 42.9 | Very low | 88 Ų | 88 | 152.2 Ų | 152.2 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | 70.9 | 115.2 | 92.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 17 | N | 36.9 | Very low | 43.6 | Very low | 142 Ų | 142 | 153.5 Ų | 153.5 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | 169.1 | 114.3 | 134.2 | -84.7 | -16.3 | 0 | 0 | 0 | 109.5 | ||||
| 18 | I | 43.5 | Very low | 43.9 | Very low | 138 Ų | 138 | 154.5 Ų | 154.5 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | 80.8 | 103.6 | 75.8 | -71 | 176.9 | 0 | 0 | 0 | 111.7 | |||||
| 19 | F | 45.8 | Very low | 44.3 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | 51.9 | 118.6 | 155.1 | -70.2 | -99.8 | 0 | 0 | 0 | 120.9 | ||||
| 20 | Q | 39.3 | Very low | 44.6 | Very low | 195 Ų | 195 | 147.8 Ų | 147.8 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | -147.1 | 132.4 | 125.3 | -73.4 | -156.6 | 2.1 | 0 | 0 | 112.9 | |||||
| 21 | L | 44.2 | Very low | 45.4 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 94% | 0.937 | 78% | 0.777 | S | S | * | * | trans | -37.9 | 115.9 | 172.1 | -143.4 | 69.9 | 0 | 0 | 0 | 114.4 | K23 | L21-K23 PolarHBondContact O-N 3.4Š| ||
| 22 | G | 38.5 | Very low | 46 | Very low | 76 Ų | 76 | 145.5 Ų | 145.5 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | trans | -77.1 | 113 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 23 | K | 46.3 | Very low | 46.4 | Very low | 197 Ų | 197 | 146.8 Ų | 146.8 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | trans | -59.7 | 140.6 | 159.9 | -82.8 | 176.4 | 173.7 | 176.4 | 0 | 109 | L21 | L21-K23 PolarHBondContact O-N 3.4Š| ||
| 24 | P | 45.4 | Very low | 47.4 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -62.2 | 145.2 | 168.1 | 27.5 | -32.1 | 0 | 0 | 0 | 109.1 | Q26 | P24-Q26 PolarHBondContact O-N 2.97Š| ||
| 25 | P | 46.5 | Very low | 48.6 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | trans | -64.3 | 110.8 | 174.3 | 26.9 | -30.6 | 0 | 0 | 0 | 107.4 | R27 | P25-R27 VanDerWaalsContact C-N 3.33Å; P25-R27 PolarHBondContact O-N 3.14Å | ||
| 26 | Q | 45.8 | Very low | 50.3 | Low | 172 Ų | 172 | 135.6 Ų | 135.6 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | -58.6 | 100.7 | 166.9 | -173 | 177.8 | -29.7 | 0 | 0 | 106.2 | P24 D28 | P24-Q26 PolarHBondContact O-N 2.97Å; Q26-D28 PolarHBondContact O-N 2.89Å; Q26-D28 VanDerWaalsContact O-N 3.14Å | ||
| 27 | R | 51.7 | Low | 52 | Low | 181 Ų | 181 | 134.5 Ų | 134.5 | 68% | 0.683 | 68% | 0.684 | S | S | * | * | trans | -67.1 | 110.1 | 171.5 | -81.9 | -179.1 | 179.2 | 164.5 | 0.5 | 106.5 | P25 P29 R32 | P25-R27 VanDerWaalsContact C-N 3.33Å; P25-R27 PolarHBondContact O-N 3.14Å; R27-P29 VanDerWaalsContact O-CD 3.28Å; R27-P29 WeakPolarHBondContact O-CD 3.28Å; R27-P29 VanDerWaalsContact O-N 3.14Å; R27-R32 VanDerWaalsContact CZ-NH2 3.27Å | ||
| 28 | D | 44.3 | Very low | 54 | Low | 95 Ų | 95 | 130.6 Ų | 130.6 | 51% | 0.508 | 67% | 0.672 | S | S | . | * | trans | -51.5 | 116.6 | 173.6 | -80.6 | -43.6 | 0 | 0 | 0 | 110.5 | Q26 E30 R31 | Q26-D28 PolarHBondContact O-N 2.89Å; Q26-D28 VanDerWaalsContact O-N 3.14Å; D28-E30 VanDerWaalsContact C-N 3.31Å; D28-R31 HydrophobicContact CB-CB 4.39Å | ||
| 29 | P | 54.9 | Low | 55.9 | Low | 88 Ų | 88 | 131 Ų | 131 | 57% | 0.571 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.5 | -33.3 | 176.5 | 24 | -29.5 | 0 | 0 | 0 | 111.8 | R27 R31 R32 E33 | R27-P29 VanDerWaalsContact O-CD 3.28Å; R27-P29 WeakPolarHBondContact O-CD 3.28Å; R27-P29 VanDerWaalsContact O-N 3.14Å; P29-R31 PolarHBondContact O-N 3.16Å; P29-R32 PolarHBondContact O-N 3.35Å; P29-E33 PolarHBondContact O-N 3.37Å; P29-E33 VanDerWaalsContact O-N 3.16Å |
| 30 | E | 53.6 | Low | 57.7 | Low | 152 Ų | 152 | 127.6 Ų | 127.6 | 71% | 0.71 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -61.7 | -39.1 | -179 | -79.1 | 178.6 | 129.2 | 0 | 0 | 113.5 | D28 R32 E33 S34 | D28-E30 VanDerWaalsContact C-N 3.31Å; E30-R32 VanDerWaalsContact C-N 3.29Å; E30-R32 PolarHBondContact O-N 3.24Å; E30-E33 PolarHBondContact O-N 3.38Å; E30-S34 PolarHBondContact O-N 2.9Å; E30-S34 VanDerWaalsContact O-N 3.08Å |
| 31 | R | 55.7 | Low | 59.8 | Low | 201 Ų | 201 | 120 Ų | 120 | 76% | 0.758 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.7 | -29.7 | -178.9 | -163.6 | 176.5 | -161.4 | 170.4 | 7 | 112.4 | D28 P29 T35 | D28-R31 HydrophobicContact CB-CB 4.39Å; P29-R31 PolarHBondContact O-N 3.16Å; R31-T35 WeakPolarHBondContact O-CG2 3.49Å |
| 32 | R | 57.5 | Low | 61.8 | Low | 143 Ų | 143 | 117.4 Ų | 117.4 | 54% | 0.54 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -76.1 | -41.4 | 175.6 | -76.3 | -179.4 | 170.5 | -170 | -10 | 111.3 | R27 P29 E30 T35 E36 | R27-R32 VanDerWaalsContact CZ-NH2 3.27Å; P29-R32 PolarHBondContact O-N 3.35Å; E30-R32 VanDerWaalsContact C-N 3.29Å; E30-R32 PolarHBondContact O-N 3.24Å; R32-T35 PolarHBondContact O-N 3.06Å; R32-T35 PolarHBondContact O-OG1 3.08Å; R32-E36 WeakPolarHBondContact O-CB 3.49Å; R32-E36 PolarHBondContact O-N 3.2Å |
| 33 | E | 59.3 | Low | 64.3 | Low | 141 Ų | 141 | 120.6 Ų | 120.6 | 66% | 0.659 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.8 | -41.4 | -179.1 | -167.3 | 162.7 | -161.4 | 0 | 0 | 112.3 | P29 E30 T35 E36 S37 | P29-E33 PolarHBondContact O-N 3.37Å; P29-E33 VanDerWaalsContact O-N 3.16Å; E30-E33 PolarHBondContact O-N 3.38Å; E33-T35 VanDerWaalsContact C-N 3.33Å; E33-T35 PolarHBondContact O-N 3.38Å; E33-E36 PolarHBondContact O-N 3.34Å; E33-S37 WeakPolarHBondContact O-CB 3.49Å; E33-S37 PolarHBondContact O-N 2.96Å; E33-S37 PolarHBondContact O-OG 2.8Å |
| 34 | S | 61.2 | Low | 66.4 | Low | 79 Ų | 79 | 113 Ų | 113 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.1 | -35.4 | 175.2 | -173.1 | 0 | 0 | 0 | 0 | 113.4 | E30 S37 A38 | E30-S34 PolarHBondContact O-N 2.9Å; E30-S34 VanDerWaalsContact O-N 3.08Å; S34-S37 PolarHBondContact O-OG 3.19Å; S34-A38 WeakPolarHBondContact O-CB 3.5Å; S34-A38 PolarHBondContact O-N 3.25Å |
| 35 | T | 71.4 | Confident | 68.6 | Low | 69 Ų | 69 | 108.2 Ų | 108.2 | 42% | 0.423 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -76.6 | -30.1 | 175.3 | 58.9 | 0 | 0 | 0 | 0 | 113.5 | R31 R32 E33 R39 | R31-T35 WeakPolarHBondContact O-CG2 3.49Å; R32-T35 PolarHBondContact O-N 3.06Å; R32-T35 PolarHBondContact O-OG1 3.08Å; E33-T35 VanDerWaalsContact C-N 3.33Å; E33-T35 PolarHBondContact O-N 3.38Å; T35-R39 WeakPolarHBondContact O-CD 3.35Å; T35-R39 VanDerWaalsContact O-CG 3.29Å; T35-R39 WeakPolarHBondContact O-CG 3.29Å; T35-R39 PolarHBondContact O-N 3.29Å |
| 36 | E | 74.8 | Confident | 70.9 | Confident | 88 Ų | 88 | 103.1 Ų | 103.1 | 41% | 0.411 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.1 | -43.4 | 177.6 | -172.7 | 76.4 | -155.5 | 0 | 0 | 110.6 | R32 E33 R39 K40 | R32-E36 WeakPolarHBondContact O-CB 3.49Å; R32-E36 PolarHBondContact O-N 3.2Å; E33-E36 PolarHBondContact O-N 3.34Å; E36-R39 PolarHBondContact O-N 3.45Å; E36-K40 HydrophobicContact CG-CD 4.46Å; E36-K40 WeakPolarHBondContact O-CG 3.45Å; E36-K40 PolarHBondContact O-N 3.16Å |
| 37 | S | 75.1 | Confident | 73.2 | Confident | 64 Ų | 64 | 99.5 Ų | 99.5 | 45% | 0.448 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 177.8 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | E33 S34 R39 K40 A41 | E33-S37 WeakPolarHBondContact O-CB 3.49Å; E33-S37 PolarHBondContact O-N 2.96Å; E33-S37 PolarHBondContact O-OG 2.8Å; S34-S37 PolarHBondContact O-OG 3.19Å; S37-R39 VanDerWaalsContact C-N 3.33Å; S37-R39 PolarHBondContact O-N 2.88Å; S37-K40 PolarHBondContact O-N 3.01Å; S37-K40 VanDerWaalsContact O-N 3.16Å; S37-A41 PolarHBondContact O-N 3.27Å |
| 38 | A | 78.9 | Confident | 75.3 | Confident | 60 Ų | 60 | 90.9 Ų | 90.9 | 50% | 0.496 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S34 A41 Q42 | S34-A38 WeakPolarHBondContact O-CB 3.5Å; S34-A38 PolarHBondContact O-N 3.25Å; A38-A41 PolarHBondContact O-N 3Å; A38-Q42 WeakPolarHBondContact O-CB 3.37Å; A38-Q42 PolarHBondContact O-N 3.47Å |
| 39 | R | 82.8 | Confident | 77.8 | Confident | 146 Ų | 146 | 91.4 Ų | 91.4 | 55% | 0.551 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.7 | -38.2 | 175.5 | -73.2 | 172.7 | -177.6 | 163.2 | 1.2 | 112.3 | T35 E36 S37 R43 | T35-R39 WeakPolarHBondContact O-CD 3.35Å; T35-R39 VanDerWaalsContact O-CG 3.29Å; T35-R39 WeakPolarHBondContact O-CG 3.29Å; T35-R39 PolarHBondContact O-N 3.29Å; E36-R39 PolarHBondContact O-N 3.45Å; S37-R39 VanDerWaalsContact C-N 3.33Å; S37-R39 PolarHBondContact O-N 2.88Å; R39-R43 WeakPolarHBondContact O-CG 3.24Å; R39-R43 PolarHBondContact O-N 3.48Å; R39-R43 VanDerWaalsContact O-N 3.08Å |
| 40 | K | 84.3 | Confident | 79.9 | Confident | 123 Ų | 123 | 92.3 Ų | 92.3 | 54% | 0.535 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 175.6 | -74.6 | 172.8 | 179.5 | 177 | 0 | 111.3 | E36 S37 Q42 R43 A44 | E36-K40 HydrophobicContact CG-CD 4.46Å; E36-K40 WeakPolarHBondContact O-CG 3.45Å; E36-K40 PolarHBondContact O-N 3.16Å; S37-K40 PolarHBondContact O-N 3.01Å; S37-K40 VanDerWaalsContact O-N 3.16Å; K40-Q42 VanDerWaalsContact C-N 3.34Å; K40-Q42 PolarHBondContact O-N 3.08Å; K40-R43 PolarHBondContact O-N 3.39Å; K40-A44 PolarHBondContact O-N 3.39Å |
| 41 | A | 83.7 | Confident | 82 | Confident | 37 Ų | 37 | 86.3 Ų | 86.3 | 31% | 0.306 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S37 A38 R43 A44 V45 | S37-A41 PolarHBondContact O-N 3.27Å; A38-A41 PolarHBondContact O-N 3Å; A41-R43 VanDerWaalsContact C-N 3.33Å; A41-R43 PolarHBondContact O-N 3.37Å; A41-A44 PolarHBondContact O-N 2.94Å; A41-V45 WeakPolarHBondContact O-CG2 3.48Å; A41-V45 PolarHBondContact O-N 3.39Å |
| 42 | Q | 86.1 | Confident | 84 | Confident | 123 Ų | 123 | 76.8 Ų | 76.8 | 58% | 0.575 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.2 | -37.7 | 178.4 | -167 | 67.7 | 0.6 | 0 | 0 | 113.1 | A38 K40 G46 | A38-Q42 WeakPolarHBondContact O-CB 3.37Å; A38-Q42 PolarHBondContact O-N 3.47Å; K40-Q42 VanDerWaalsContact C-N 3.34Å; K40-Q42 PolarHBondContact O-N 3.08Å; Q42-G46 PolarHBondContact O-N 2.91Å |
| 43 | R | 90.3 | Very high | 85.9 | Confident | 144 Ų | 144 | 76 Ų | 76 | 54% | 0.543 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65 | -46.8 | 173.3 | -72 | -179.7 | -162.3 | 122.9 | -3.1 | 111.2 | R39 K40 A41 V45 G46 D47 | R39-R43 WeakPolarHBondContact O-CG 3.24Å; R39-R43 PolarHBondContact O-N 3.48Å; R39-R43 VanDerWaalsContact O-N 3.08Å; K40-R43 PolarHBondContact O-N 3.39Å; A41-R43 VanDerWaalsContact C-N 3.33Å; A41-R43 PolarHBondContact O-N 3.37Å; R43-V45 VanDerWaalsContact C-N 3.32Å; R43-V45 PolarHBondContact O-N 3.07Å; R43-G46 CarbonylContact O-C 3.52Å; R43-G46 VanDerWaalsContact O-CA 3.24Å; R43-G46 WeakPolarHBondContact O-CA 3.3Å; R43-G46 PolarHBondContact O-N 3.46Å; R43-D47 PolarHBondContact O-N 3.36Å |
| 44 | A | 90.9 | Very high | 87.8 | Confident | 36 Ų | 36 | 74 Ų | 74 | 30% | 0.298 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60 | -40.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K40 A41 G46 D47 C48 I104 | K40-A44 PolarHBondContact O-N 3.39Å; A41-A44 PolarHBondContact O-N 2.94Å; A44-G46 VanDerWaalsContact C-N 3.29Å; A44-G46 PolarHBondContact O-N 3.21Å; A44-D47 PolarHBondContact O-N 2.91Å; A44-C48 VanDerWaalsContact O-CB 3.3Å; A44-C48 WeakPolarHBondContact O-CB 3.34Å; A44-C48 PolarHBondContact O-N 2.87Å; A44-I104 HydrophobicContact CB-CG2 3.64Å |
| 45 | V | 92.4 | Very high | 89.6 | Confident | 12 Ų | 12 | 70.2 Ų | 70.2 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 171.6 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | A41 R43 R49 I104 E117 I118 L121 | A41-V45 WeakPolarHBondContact O-CG2 3.48Å; A41-V45 PolarHBondContact O-N 3.39Å; R43-V45 VanDerWaalsContact C-N 3.32Å; R43-V45 PolarHBondContact O-N 3.07Å; V45-R49 WeakPolarHBondContact O-CB 3.46Å; V45-R49 PolarHBondContact O-N 3.48Å; V45-I104 HydrophobicContact CG2-CB 4.35Å; V45-I104 HydrophobicContact CG2-CD1 4.24Å; V45-I104 HydrophobicContact CG2-CG2 4.44Å; V45-E117 HydrophobicContact CG1-CG 4.31Å; V45-I118 HydrophobicContact CG2-CG1 4.4Å; V45-L121 HydrophobicContact CG1-CD1 4.34Å |
| 46 | G | 94.3 | Very high | 90.9 | Very high | 11 Ų | 11 | 70.4 Ų | 70.4 | 11% | 0.113 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q42 R43 A44 R49 M50 | Q42-G46 PolarHBondContact O-N 2.91Å; R43-G46 CarbonylContact O-C 3.52Å; R43-G46 VanDerWaalsContact O-CA 3.24Å; R43-G46 WeakPolarHBondContact O-CA 3.3Å; R43-G46 PolarHBondContact O-N 3.46Å; A44-G46 VanDerWaalsContact C-N 3.29Å; A44-G46 PolarHBondContact O-N 3.21Å; G46-R49 PolarHBondContact O-N 2.98Å; G46-M50 PolarHBondContact O-N 3Å; G46-M50 VanDerWaalsContact O-N 3.08Å |
| 47 | D | 94.2 | Very high | 92 | Very high | 96 Ų | 96 | 70.6 Ų | 70.6 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.6 | -39.5 | -179.7 | -59.6 | -26.2 | 0 | 0 | 0 | 111 | R43 A44 R49 M50 T51 | R43-D47 PolarHBondContact O-N 3.36Å; A44-D47 PolarHBondContact O-N 2.91Å; D47-R49 PolarHBondContact O-N 3.45Å; D47-M50 PolarHBondContact O-N 3.39Å; D47-T51 PolarHBondContact O-N 3.46Å; D47-T51 PolarHBondContact O-OG1 3.24Å |
| 48 | C | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 174.4 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | A44 M50 T51 V52 N100 I104 L121 | A44-C48 VanDerWaalsContact O-CB 3.3Å; A44-C48 WeakPolarHBondContact O-CB 3.34Å; A44-C48 PolarHBondContact O-N 2.87Å; C48-M50 VanDerWaalsContact C-N 3.33Å; C48-M50 PolarHBondContact O-N 3.34Å; C48-T51 PolarHBondContact O-N 3.25Å; C48-V52 WeakPolarHBondContact O-CG2 3.42Å; C48-V52 PolarHBondContact O-N 2.99Å; C48-N100 HydrophobicContact CB-CB 3.99Å; C48-I104 HydrophobicContact CB-CD1 3.89Å; C48-L121 HydrophobicContact CB-CD1 4.31Å |
| 49 | R | 97.3 | Very high | 94.1 | Very high | 106 Ų | 106 | 65.6 Ų | 65.6 | 40% | 0.4 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 175.9 | -179.1 | -177.4 | 62.8 | -101.1 | -6.9 | 111.8 | V45 G46 D47 T51 V52 Q53 L121 | V45-R49 WeakPolarHBondContact O-CB 3.46Å; V45-R49 PolarHBondContact O-N 3.48Å; G46-R49 PolarHBondContact O-N 2.98Å; D47-R49 PolarHBondContact O-N 3.45Å; R49-T51 VanDerWaalsContact C-N 3.34Å; R49-T51 PolarHBondContact O-N 3.43Å; R49-V52 PolarHBondContact O-N 3.2Å; R49-Q53 WeakPolarHBondContact O-CB 3.35Å; R49-Q53 PolarHBondContact O-N 3.36Å; R49-L121 HydrophobicContact CB-CD1 4.47Å; R49-L121 HydrophobicContact CB-CD2 3.89Å; R49-L121 HydrophobicContact CG-CD2 4.11Å |
| 50 | M | 97.4 | Very high | 94.8 | Very high | 108 Ų | 108 | 61.1 Ų | 61.1 | 53% | 0.532 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 176.4 | -171.8 | 179.2 | -63.2 | 0 | 0 | 110.8 | G46 D47 C48 V52 Q53 E54 | G46-M50 PolarHBondContact O-N 3Å; G46-M50 VanDerWaalsContact O-N 3.08Å; D47-M50 PolarHBondContact O-N 3.39Å; C48-M50 VanDerWaalsContact C-N 3.33Å; C48-M50 PolarHBondContact O-N 3.34Å; M50-V52 PolarHBondContact O-N 3.35Å; M50-Q53 PolarHBondContact O-N 3.49Å; M50-E54 HydrophobicContact CG-CG 4.45Å; M50-E54 WeakPolarHBondContact O-CG 3.27Å; M50-E54 PolarHBondContact O-N 3.01Å |
| 51 | T | 97.9 | Very high | 95.5 | Very high | 26 Ų | 26 | 59.6 Ų | 59.6 | 16% | 0.16 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.4 | -45 | 179 | -49.4 | 0 | 0 | 0 | 0 | 112.1 | D47 C48 R49 E54 F55 A96 A97 | D47-T51 PolarHBondContact O-N 3.46Å; D47-T51 PolarHBondContact O-OG1 3.24Å; C48-T51 PolarHBondContact O-N 3.25Å; R49-T51 VanDerWaalsContact C-N 3.34Å; R49-T51 PolarHBondContact O-N 3.43Å; T51-E54 PolarHBondContact O-N 3.12Å; T51-F55 WeakPolarHBondContact O-CB 3.29Å; T51-F55 PolarHBondContact O-N 3.06Å; T51-A96 HydrophobicContact CG2-CB 4.46Å; T51-A97 HydrophobicContact CG2-CB 3.93Å |
| 52 | V | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 177.9 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | C48 R49 M50 F55 N56 A97 L121 Q124 L125 | C48-V52 WeakPolarHBondContact O-CG2 3.42Å; C48-V52 PolarHBondContact O-N 2.99Å; R49-V52 PolarHBondContact O-N 3.2Å; M50-V52 PolarHBondContact O-N 3.35Å; V52-F55 PolarHBondContact O-N 3.31Å; V52-N56 PolarHBondContact O-N 3.01Å; V52-A97 HydrophobicContact CG2-CB 4.04Å; V52-L121 HydrophobicContact CB-CD2 4.4Å; V52-L121 HydrophobicContact CG2-CD2 4.38Å; V52-Q124 HydrophobicContact CG1-CB 3.79Å; V52-L125 HydrophobicContact CG2-CB 4.37Å |
| 53 | Q | 98.2 | Very high | 96.8 | Very high | 125 Ų | 125 | 58.2 Ų | 58.2 | 58% | 0.584 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -67.8 | -42.6 | 178.3 | -177.4 | 177 | -2.6 | 0 | 0 | 112.4 | R49 M50 F55 N56 T57 | R49-Q53 WeakPolarHBondContact O-CB 3.35Å; R49-Q53 PolarHBondContact O-N 3.36Å; M50-Q53 PolarHBondContact O-N 3.49Å; Q53-F55 VanDerWaalsContact C-N 3.31Å; Q53-N56 PolarHBondContact O-N 2.85Å; Q53-T57 PolarHBondContact O-N 2.96Å; Q53-T57 PolarHBondContact O-OG1 3.46Å |
| 54 | E | 98.2 | Very high | 97.2 | Very high | 99 Ų | 99 | 56.7 Ų | 56.7 | 46% | 0.463 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 175.1 | -69.3 | -178.4 | 176.6 | 0 | 0 | 111 | M50 T51 T57 L58 M93 | M50-E54 HydrophobicContact CG-CG 4.45Å; M50-E54 WeakPolarHBondContact O-CG 3.27Å; M50-E54 PolarHBondContact O-N 3.01Å; T51-E54 PolarHBondContact O-N 3.12Å; E54-T57 WeakPolarHBondContact O-CB 3.39Å; E54-T57 PolarHBondContact O-N 3.13Å; E54-L58 WeakPolarHBondContact O-CB 3.43Å; E54-L58 PolarHBondContact O-N 2.81Å; E54-M93 VanDerWaalsContact C-CE 3.44Å; E54-M93 HydrophobicContact CB-CE 3.31Å |
| 55 | F | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 174.7 | 176.8 | -122.1 | 0 | 0 | 0 | 111.3 | T51 V52 Q53 T57 L58 V59 G90 M93 A94 L125 C128 L129 F132 | T51-F55 WeakPolarHBondContact O-CB 3.29Å; T51-F55 PolarHBondContact O-N 3.06Å; V52-F55 PolarHBondContact O-N 3.31Å; Q53-F55 VanDerWaalsContact C-N 3.31Å; F55-T57 VanDerWaalsContact C-N 3.3Å; F55-T57 PolarHBondContact O-N 3.49Å; F55-L58 CarbonylContact O-C 3.59Å; F55-L58 WeakPolarHBondContact O-CA 3.48Å; F55-L58 WeakPolarHBondContact O-CB 3.34Å; F55-L58 PolarHBondContact O-N 2.97Å; F55-V59 HydrophobicContact CD2-CG2 4.21Å; F55-V59 HydrophobicContact CE1-CG2 4.13Å; F55-V59 HydrophobicContact CE2-CG2 3.76Å; F55-V59 HydrophobicContact CZ-CG2 3.71Å; F55-V59 WeakPolarHBondContact O-CG2 3.34Å; F55-V59 PolarHBondContact O-N 2.94Å; F55-G90 WeakPolarHBondContact CE2-O 3.35Å; F55-M93 HydrophobicContact CB-CB 4.37Å; F55-M93 HydrophobicContact CB-CE 4.25Å; F55-M93 HydrophobicContact CD2-CB 4.15Å; F55-M93 VanDerWaalsContact N-CE 3.34Å; F55-A94 HydrophobicContact CD2-CB 4.41Å; F55-A94 HydrophobicContact CE1-CB 4.16Å; F55-A94 HydrophobicContact CE2-CB 3.9Å; F55-A94 HydrophobicContact CZ-CB 3.77Å; F55-L125 HydrophobicContact CD1-CD1 3.81Å; F55-L125 HydrophobicContact CE1-CD1 4.01Å; F55-C128 HydrophobicContact CD1-CB 3.64Å; F55-C128 HydrophobicContact CE1-CB 3.49Å; F55-C128 VanDerWaalsContact CE1-CB 3.49Å; F55-L129 HydrophobicContact CZ-CD1 4.38Å; F55-F132 AromaticContact CE2-CD1 3.76Å; F55-F132 HydrophobicContact CE2-CD1 3.76Å; F55-F132 HydrophobicContact CE2-CE1 4.02Å; F55-F132 HydrophobicContact CE2-CG 4.23Å; F55-F132 HydrophobicContact CZ-CB 4.02Å; F55-F132 AromaticContact CZ-CD1 3.67Å; F55-F132 HydrophobicContact CZ-CD1 3.67Å; F55-F132 HydrophobicContact CZ-CE1 4.37Å; F55-F132 HydrophobicContact CZ-CG 4.03Å |
| 56 | N | 98.5 | Very high | 97.8 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.4 | -44.8 | 174.6 | -171.2 | -2.2 | 0 | 0 | 0 | 112.1 | V52 Q53 L58 V59 A60 C128 | V52-N56 PolarHBondContact O-N 3.01Å; Q53-N56 PolarHBondContact O-N 2.85Å; N56-L58 VanDerWaalsContact C-N 3.29Å; N56-L58 PolarHBondContact O-N 3.29Å; N56-V59 PolarHBondContact O-N 3.5Å; N56-V59 VanDerWaalsContact O-N 3.17Å; N56-A60 PolarHBondContact O-N 3.24Å; N56-C128 VanDerWaalsContact CB-SG 3.56Å |
| 57 | T | 98.6 | Very high | 97.9 | Very high | 91 Ų | 91 | 57.8 Ų | 57.8 | 56% | 0.558 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.6 | -40.1 | 175.9 | -53 | 0 | 0 | 0 | 0 | 111.7 | Q53 E54 F55 A60 L61 | Q53-T57 PolarHBondContact O-N 2.96Å; Q53-T57 PolarHBondContact O-OG1 3.46Å; E54-T57 WeakPolarHBondContact O-CB 3.39Å; E54-T57 PolarHBondContact O-N 3.13Å; F55-T57 VanDerWaalsContact C-N 3.3Å; F55-T57 PolarHBondContact O-N 3.49Å; T57-A60 PolarHBondContact O-N 3.34Å; T57-L61 PolarHBondContact O-N 2.99Å |
| 58 | L | 98.6 | Very high | 98 | Very high | 14 Ų | 14 | 55.4 Ų | 55.4 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 175.8 | -175.9 | 155 | 0 | 0 | 0 | 111.9 | E54 F55 N56 A60 L61 Y62 T86 K89 G90 M93 F132 | E54-L58 WeakPolarHBondContact O-CB 3.43Å; E54-L58 PolarHBondContact O-N 2.81Å; F55-L58 CarbonylContact O-C 3.59Å; F55-L58 WeakPolarHBondContact O-CA 3.48Å; F55-L58 WeakPolarHBondContact O-CB 3.34Å; F55-L58 PolarHBondContact O-N 2.97Å; N56-L58 VanDerWaalsContact C-N 3.29Å; N56-L58 PolarHBondContact O-N 3.29Å; L58-A60 VanDerWaalsContact C-N 3.31Å; L58-A60 PolarHBondContact O-N 3.08Å; L58-L61 PolarHBondContact O-N 3.34Å; L58-Y62 WeakPolarHBondContact O-CB 3.4Å; L58-Y62 PolarHBondContact O-N 3.49Å; L58-T86 HydrophobicContact CD2-CG2 3.87Å; L58-T86 HydrophobicContact CG-CG2 3.9Å; L58-K89 HydrophobicContact CD1-CB 3.89Å; L58-K89 HydrophobicContact CD1-CD 3.79Å; L58-K89 HydrophobicContact CD1-CG 3.63Å; L58-G90 VanDerWaalsContact CD2-CA 3.42Å; L58-M93 HydrophobicContact CD1-SD 3.65Å; L58-F132 HydrophobicContact CD2-CE2 4.36Å; L58-F132 HydrophobicContact CD2-CZ 4.44Å |
| 59 | V | 98.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 175.2 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | F55 N56 Y62 R63 M131 F132 | F55-V59 HydrophobicContact CD2-CG2 4.21Å; F55-V59 HydrophobicContact CE1-CG2 4.13Å; F55-V59 HydrophobicContact CE2-CG2 3.76Å; F55-V59 HydrophobicContact CZ-CG2 3.71Å; F55-V59 WeakPolarHBondContact O-CG2 3.34Å; F55-V59 PolarHBondContact O-N 2.94Å; N56-V59 PolarHBondContact O-N 3.5Å; N56-V59 VanDerWaalsContact O-N 3.17Å; V59-Y62 PolarHBondContact O-N 3.44Å; V59-R63 PolarHBondContact O-N 3.47Å; V59-M131 HydrophobicContact CG1-CB 4.03Å; V59-F132 HydrophobicContact CG1-CB 4.31Å; V59-F132 HydrophobicContact CG2-CB 3.74Å; V59-F132 HydrophobicContact CG2-CD2 4Å; V59-F132 HydrophobicContact CG2-CG 3.95Å |
| 60 | A | 98.7 | Very high | 97.6 | Very high | 51 Ų | 51 | 52.8 Ų | 52.8 | 42% | 0.421 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N56 T57 L58 Y62 R63 E64 | N56-A60 PolarHBondContact O-N 3.24Å; T57-A60 PolarHBondContact O-N 3.34Å; L58-A60 VanDerWaalsContact C-N 3.31Å; L58-A60 PolarHBondContact O-N 3.08Å; A60-Y62 VanDerWaalsContact C-N 3.33Å; A60-Y62 PolarHBondContact O-N 3.31Å; A60-R63 WeakPolarHBondContact O-CB 3.35Å; A60-R63 PolarHBondContact O-N 2.98Å; A60-E64 PolarHBondContact O-N 3.41Å |
| 61 | L | 98.6 | Very high | 97.3 | Very high | 92 Ų | 92 | 54.6 Ų | 54.6 | 48% | 0.482 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 175.9 | 176.3 | 63.8 | 0 | 0 | 0 | 112.3 | T57 L58 R63 E64 Q65 T86 | T57-L61 PolarHBondContact O-N 2.99Å; L58-L61 PolarHBondContact O-N 3.34Å; L61-R63 VanDerWaalsContact C-N 3.35Å; L61-E64 PolarHBondContact O-N 2.84Å; L61-Q65 WeakPolarHBondContact O-CG 3.35Å; L61-Q65 PolarHBondContact O-N 3.23Å; L61-Q65 VanDerWaalsContact O-N 3.14Å; L61-T86 HydrophobicContact CD2-CG2 4.36Å; L61-T86 HydrophobicContact CG-CG2 4.44Å |
| 62 | Y | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 176.2 | -171 | -101 | 0 | 0 | 0 | 110.7 | L58 V59 A60 E64 Q65 V66 L83 T86 R87 F132 E135 M136 S139 | L58-Y62 WeakPolarHBondContact O-CB 3.4Å; L58-Y62 PolarHBondContact O-N 3.49Å; V59-Y62 PolarHBondContact O-N 3.44Å; A60-Y62 VanDerWaalsContact C-N 3.33Å; A60-Y62 PolarHBondContact O-N 3.31Å; Y62-E64 PolarHBondContact O-N 2.9Å; Y62-Q65 WeakPolarHBondContact O-CB 3.2Å; Y62-Q65 PolarHBondContact O-N 3.13Å; Y62-Q65 VanDerWaalsContact O-N 3.16Å; Y62-V66 HydrophobicContact CD1-CG2 3.94Å; Y62-V66 HydrophobicContact CE1-CG2 3.67Å; Y62-V66 WeakPolarHBondContact O-CG2 3.24Å; Y62-V66 PolarHBondContact O-N 3.36Å; Y62-L83 HydrophobicContact CD2-CD1 3.92Å; Y62-L83 HydrophobicContact CD2-CG 4.44Å; Y62-L83 HydrophobicContact CE2-CD1 3.46Å; Y62-L83 VanDerWaalsContact CE2-CD1 3.46Å; Y62-L83 HydrophobicContact CE2-CG 3.64Å; Y62-T86 HydrophobicContact CD2-CG2 3.94Å; Y62-T86 HydrophobicContact CG-CG2 4.46Å; Y62-R87 HydrophobicContact CD2-CB 4.48Å; Y62-R87 HydrophobicContact CE2-CB 3.77Å; Y62-R87 HydrophobicContact CE2-CG 4.28Å; Y62-F132 HydrophobicContact CD1-CD2 4.16Å; Y62-F132 AromaticContact CD1-CE2 3.98Å; Y62-F132 HydrophobicContact CD1-CE2 3.98Å; Y62-F132 HydrophobicContact CD2-CE2 4.26Å; Y62-F132 HydrophobicContact CE1-CE2 4.4Å; Y62-F132 HydrophobicContact CG-CD2 4.41Å; Y62-F132 AromaticContact CG-CE2 3.91Å; Y62-F132 HydrophobicContact CG-CE2 3.91Å; Y62-E135 HydrophobicContact CD1-CB 3.71Å; Y62-E135 HydrophobicContact CE1-CB 3.96Å; Y62-M136 HydrophobicContact CE1-CG 4.26Å; Y62-S139 WeakPolarHBondContact OH-CB 3.31Å; Y62-S139 PolarHBondContact OH-OG 2.87Å |
| 63 | R | 98.7 | Very high | 95.8 | Very high | 130 Ų | 130 | 62.2 Ų | 62.2 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 175.7 | 178.5 | 175 | 173.7 | 179.9 | -1.1 | 112.5 | V59 A60 L61 Q65 V66 I67 E135 | V59-R63 PolarHBondContact O-N 3.47Å; A60-R63 WeakPolarHBondContact O-CB 3.35Å; A60-R63 PolarHBondContact O-N 2.98Å; L61-R63 VanDerWaalsContact C-N 3.35Å; R63-Q65 VanDerWaalsContact C-N 3.3Å; R63-Q65 PolarHBondContact O-N 2.95Å; R63-V66 WeakPolarHBondContact O-CB 3.49Å; R63-V66 PolarHBondContact O-N 3Å; R63-V66 VanDerWaalsContact O-N 3.17Å; R63-I67 HydrophobicContact CG-CD1 4.16Å; R63-I67 WeakPolarHBondContact O-CG1 3.29Å; R63-I67 PolarHBondContact O-N 2.88Å; R63-E135 HydrophobicContact CB-CG 4.09Å; R63-E135 HydrophobicContact CG-CG 4.41Å |
| 64 | E | 98.4 | Very high | 94.9 | Very high | 112 Ų | 112 | 59.1 Ų | 59.1 | 52% | 0.523 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 176.4 | -67.8 | -56.8 | 128.6 | 0 | 0 | 111.6 | A60 L61 Y62 V66 I67 S68 | A60-E64 PolarHBondContact O-N 3.41Å; L61-E64 PolarHBondContact O-N 2.84Å; Y62-E64 PolarHBondContact O-N 2.9Å; E64-V66 VanDerWaalsContact C-N 3.34Å; E64-V66 PolarHBondContact O-N 3.32Å; E64-I67 WeakPolarHBondContact O-CB 3.35Å; E64-I67 PolarHBondContact O-N 3.48Å; E64-S68 PolarHBondContact O-N 3.19Å; E64-S68 PolarHBondContact O-OG 3.44Å |
| 65 | Q | 97.7 | Very high | 94.2 | Very high | 14 Ų | 14 | 56.7 Ų | 56.7 | 7% | 0.065 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 175.3 | -65.5 | 165.5 | 24.8 | 0 | 0 | 112.2 | L61 Y62 R63 I67 S68 I69 L79 V82 L83 T86 | L61-Q65 WeakPolarHBondContact O-CG 3.35Å; L61-Q65 PolarHBondContact O-N 3.23Å; L61-Q65 VanDerWaalsContact O-N 3.14Å; Y62-Q65 WeakPolarHBondContact O-CB 3.2Å; Y62-Q65 PolarHBondContact O-N 3.13Å; Y62-Q65 VanDerWaalsContact O-N 3.16Å; R63-Q65 VanDerWaalsContact C-N 3.3Å; R63-Q65 PolarHBondContact O-N 2.95Å; Q65-I67 VanDerWaalsContact C-N 3.34Å; Q65-S68 PolarHBondContact O-N 2.96Å; Q65-I69 WeakPolarHBondContact O-CG1 3.25Å; Q65-I69 PolarHBondContact O-N 3.32Å; Q65-L79 HydrophobicContact CB-CD1 4.43Å; Q65-V82 HydrophobicContact CG-CG1 4.41Å; Q65-V82 PolarHBondContact OE1-O 3.31Å; Q65-L83 HydrophobicContact CB-CD1 3.76Å; Q65-L83 VanDerWaalsContact OE1-CA 3.23Å; Q65-T86 PolarHBondContact NE2-OG1 3.37Å; Q65-T86 PolarHBondContact OE1-OG1 2.9Å; Q65-T86 VanDerWaalsContact OE1-OG1 3.12Å |
| 66 | V | 97.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.024 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | 174.8 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | Y62 R63 E64 I69 G70 L83 K138 L142 | Y62-V66 HydrophobicContact CD1-CG2 3.94Å; Y62-V66 HydrophobicContact CE1-CG2 3.67Å; Y62-V66 WeakPolarHBondContact O-CG2 3.24Å; Y62-V66 PolarHBondContact O-N 3.36Å; R63-V66 WeakPolarHBondContact O-CB 3.49Å; R63-V66 PolarHBondContact O-N 3Å; R63-V66 VanDerWaalsContact O-N 3.17Å; E64-V66 VanDerWaalsContact C-N 3.34Å; E64-V66 PolarHBondContact O-N 3.32Å; V66-I69 PolarHBondContact O-N 3.15Å; V66-G70 PolarHBondContact O-N 2.83Å; V66-G70 VanDerWaalsContact O-N 3.17Å; V66-L83 HydrophobicContact CG2-CD1 3.92Å; V66-K138 HydrophobicContact CG1-CB 3.91Å; V66-L142 HydrophobicContact CG1-CD1 3.83Å; V66-L142 WeakPolarHBondContact O-CD1 3.47Å |
| 67 | I | 97.1 | Very high | 93.3 | Very high | 65 Ų | 65 | 58.4 Ų | 58.4 | 33% | 0.333 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 173 | -67.2 | 165.2 | 0 | 0 | 0 | 109.9 | R63 E64 Q65 I69 G70 E71 | R63-I67 HydrophobicContact CG-CD1 4.16Å; R63-I67 WeakPolarHBondContact O-CG1 3.29Å; R63-I67 PolarHBondContact O-N 2.88Å; E64-I67 WeakPolarHBondContact O-CB 3.35Å; E64-I67 PolarHBondContact O-N 3.48Å; Q65-I67 VanDerWaalsContact C-N 3.34Å; I67-I69 VanDerWaalsContact C-N 3.26Å; I67-I69 PolarHBondContact O-N 3.4Å; I67-G70 WeakPolarHBondContact O-CA 3.38Å; I67-G70 PolarHBondContact O-N 2.99Å; I67-E71 HydrophobicContact CG2-CG 4.44Å; I67-E71 PolarHBondContact O-N 3.33Å; I67-E71 VanDerWaalsContact O-N 3.1Å |
| 68 | S | 96.1 | Very high | 93.1 | Very high | 45 Ų | 45 | 58 Ų | 58 | 32% | 0.315 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.6 | -35.2 | 177.6 | -56.7 | 0 | 0 | 0 | 0 | 113.1 | E64 Q65 G70 E71 I72 | E64-S68 PolarHBondContact O-N 3.19Å; E64-S68 PolarHBondContact O-OG 3.44Å; Q65-S68 PolarHBondContact O-N 2.96Å; S68-G70 VanDerWaalsContact C-N 3.31Å; S68-E71 PolarHBondContact O-N 3.04Å; S68-I72 PolarHBondContact O-N 2.65Å |
| 69 | I | 92.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 173.1 | -68.1 | 171.5 | 0 | 0 | 0 | 111.2 | Q65 V66 I67 E71 I72 L79 L83 L142 L143 L146 | Q65-I69 WeakPolarHBondContact O-CG1 3.25Å; Q65-I69 PolarHBondContact O-N 3.32Å; V66-I69 PolarHBondContact O-N 3.15Å; I67-I69 VanDerWaalsContact C-N 3.26Å; I67-I69 PolarHBondContact O-N 3.4Å; I69-E71 VanDerWaalsContact C-N 3.29Å; I69-E71 PolarHBondContact O-N 3.23Å; I69-I72 VanDerWaalsContact O-CG1 3.27Å; I69-I72 WeakPolarHBondContact O-CG1 3.48Å; I69-L79 HydrophobicContact CB-CD2 4.47Å; I69-L79 HydrophobicContact CG1-CD2 3.55Å; I69-L79 HydrophobicContact CG1-CG 3.94Å; I69-L83 HydrophobicContact CD1-CB 4.46Å; I69-L83 HydrophobicContact CD1-CD1 3.93Å; I69-L83 HydrophobicContact CD1-CD2 3.56Å; I69-L83 HydrophobicContact CD1-CG 4.16Å; I69-L142 HydrophobicContact CB-CD1 4.5Å; I69-L142 HydrophobicContact CG2-CB 3.84Å; I69-L142 HydrophobicContact CG2-CD1 4.34Å; I69-L143 HydrophobicContact CG2-CD2 4.41Å; I69-L146 HydrophobicContact CG2-CD1 4.01Å |
| 70 | G | 92.1 | Very high | 92.6 | Very high | 46 Ų | 46 | 59.3 Ų | 59.3 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -71.5 | -20.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V66 I67 S68 | V66-G70 PolarHBondContact O-N 2.83Å; V66-G70 VanDerWaalsContact O-N 3.17Å; I67-G70 WeakPolarHBondContact O-CA 3.38Å; I67-G70 PolarHBondContact O-N 2.99Å; S68-G70 VanDerWaalsContact C-N 3.31Å |
| 71 | E | 91.2 | Very high | 92.4 | Very high | 147 Ų | 147 | 59.8 Ų | 59.8 | 69% | 0.687 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -88 | -26.2 | -179.8 | -69.7 | 175.6 | 167.1 | 0 | 0 | 113.2 | I67 S68 I69 | I67-E71 HydrophobicContact CG2-CG 4.44Å; I67-E71 PolarHBondContact O-N 3.33Å; I67-E71 VanDerWaalsContact O-N 3.1Å; S68-E71 PolarHBondContact O-N 3.04Å; I69-E71 VanDerWaalsContact C-N 3.29Å; I69-E71 PolarHBondContact O-N 3.23Å |
| 72 | I | 86.4 | Confident | 92.4 | Very high | 59 Ų | 59 | 58.7 Ų | 58.7 | 30% | 0.303 | 35% | 0.349 | S | S | . | . | trans | -80.3 | 138.4 | 179.5 | 59.8 | 178.6 | 0 | 0 | 0 | 111.6 | S68 I69 A74 C76 L79 | S68-I72 PolarHBondContact O-N 2.65Å; I69-I72 VanDerWaalsContact O-CG1 3.27Å; I69-I72 WeakPolarHBondContact O-CG1 3.48Å; I72-A74 WeakPolarHBondContact CD1-O 3.37Å; I72-C76 HydrophobicContact CD1-CB 3.73Å; I72-L79 HydrophobicContact CD1-CD2 3.9Å | ||
| 73 | S | 77.8 | Confident | 92.3 | Very high | 128 Ų | 128 | 58.9 Ų | 58.9 | 90% | 0.895 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -89.4 | -6.8 | 178.9 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 74 | A | 80.1 | Confident | 92.2 | Very high | 60 Ų | 60 | 56 Ų | 56 | 50% | 0.496 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -141.5 | 155.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I72 | I72-A74 WeakPolarHBondContact CD1-O 3.37Š|
| 75 | D | 83.1 | Confident | 92.2 | Very high | 48 Ų | 48 | 59.9 Ų | 59.9 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | trans | -60.9 | 143 | 179.1 | -175.8 | 35.7 | 0 | 0 | 0 | 112.3 | R80 | D75-R80 WeakPolarHBondContact OD1-CD 3.44Å; D75-R80 IonicContact OD1-CZ 2.7Å; D75-R80 IonicContact OD1-NE 3.44Å; D75-R80 PolarHBondContact OD1-NE 3.4Å; D75-R80 IonicContact OD1-NH2 2.92Å; D75-R80 IonicContact OD2-CZ 3.83Å; D75-R80 IonicContact OD2-NE 3.28Å; D75-R80 PolarHBondContact OD2-NE 3.39Å; D75-R80 VanDerWaalsContact OD2-NE 3.14Å; D75-R80 IonicContact OD2-NH2 3.87Å; D75-R80 PolarHBondContact OD2-NH2 2.92Å | ||
| 76 | C | 89.1 | Confident | 92.3 | Very high | 40 Ų | 40 | 59.9 Ų | 59.9 | 27% | 0.27 | 35% | 0.353 | S | S | . | . | trans | -131.8 | 97.5 | -179.8 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | I72 S78 L79 R80 | I72-C76 HydrophobicContact CD1-CB 3.73Å; C76-S78 VanDerWaalsContact C-N 3.28Å; C76-S78 PolarHBondContact O-N 2.94Å; C76-S78 PolarHBondContact SG-OG 2.88Å; C76-L79 HydrophobicContact CB-CB 4Å; C76-L79 PolarHBondContact O-N 3.21Å; C76-L79 VanDerWaalsContact O-N 3.13Å; C76-R80 PolarHBondContact O-N 2.93Å | ||
| 77 | P | 90.1 | Very high | 92.3 | Very high | 69 Ų | 69 | 59.8 Ų | 59.8 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.5 | -33.6 | -175.9 | -27.3 | 35.2 | 0 | 0 | 0 | 114.2 | R80 A81 | P77-R80 PolarHBondContact O-N 3.31Å; P77-A81 WeakPolarHBondContact O-CB 3.49Å; P77-A81 PolarHBondContact O-N 3.39Å |
| 78 | S | 92.8 | Very high | 92.4 | Very high | 83 Ų | 83 | 59.9 Ų | 59.9 | 58% | 0.58 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.6 | -41.2 | 177.1 | 56.3 | 0 | 0 | 0 | 0 | 111.8 | C76 A81 V82 | C76-S78 VanDerWaalsContact C-N 3.28Å; C76-S78 PolarHBondContact O-N 2.94Å; C76-S78 PolarHBondContact SG-OG 2.88Å; S78-A81 PolarHBondContact O-N 3.48Å; S78-V82 WeakPolarHBondContact O-CG2 3.38Å; S78-V82 PolarHBondContact O-N 3.1Å; S78-V82 VanDerWaalsContact O-N 3.08Å |
| 79 | L | 93.8 | Very high | 92.5 | Very high | 31 Ų | 31 | 63.7 Ų | 63.7 | 16% | 0.162 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 174.5 | -177.5 | 58.8 | 0 | 0 | 0 | 111.1 | Q65 I69 I72 C76 A81 V82 L83 | Q65-L79 HydrophobicContact CB-CD1 4.43Å; I69-L79 HydrophobicContact CB-CD2 4.47Å; I69-L79 HydrophobicContact CG1-CD2 3.55Å; I69-L79 HydrophobicContact CG1-CG 3.94Å; I72-L79 HydrophobicContact CD1-CD2 3.9Å; C76-L79 HydrophobicContact CB-CB 4Å; C76-L79 PolarHBondContact O-N 3.21Å; C76-L79 VanDerWaalsContact O-N 3.13Å; L79-A81 PolarHBondContact O-N 3.46Å; L79-V82 PolarHBondContact O-N 2.93Å; L79-L83 WeakPolarHBondContact O-CB 3.42Å; L79-L83 PolarHBondContact O-N 3.01Å |
| 80 | R | 94 | Very high | 92.8 | Very high | 16 Ų | 16 | 63.5 Ų | 63.5 | 6% | 0.06 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 174 | -71.3 | -164.4 | -71.8 | 126.5 | -9.1 | 112.5 | D75 C76 P77 V82 L83 H84 L143 D194 | D75-R80 WeakPolarHBondContact OD1-CD 3.44Å; D75-R80 IonicContact OD1-CZ 2.7Å; D75-R80 IonicContact OD1-NE 3.44Å; D75-R80 PolarHBondContact OD1-NE 3.4Å; D75-R80 IonicContact OD1-NH2 2.92Å; D75-R80 IonicContact OD2-CZ 3.83Å; D75-R80 IonicContact OD2-NE 3.28Å; D75-R80 PolarHBondContact OD2-NE 3.39Å; D75-R80 VanDerWaalsContact OD2-NE 3.14Å; D75-R80 IonicContact OD2-NH2 3.87Å; D75-R80 PolarHBondContact OD2-NH2 2.92Å; C76-R80 PolarHBondContact O-N 2.93Å; P77-R80 PolarHBondContact O-N 3.31Å; R80-V82 VanDerWaalsContact C-N 3.33Å; R80-V82 PolarHBondContact O-N 3.36Å; R80-L83 WeakPolarHBondContact O-CB 3.35Å; R80-L83 PolarHBondContact O-N 2.99Å; R80-H84 WeakPolarHBondContact O-CB 3.39Å; R80-H84 PolarHBondContact O-N 2.95Å; R80-L143 HydrophobicContact CG-CD2 4.07Å; R80-D194 IonicContact CZ-OD2 2.78Å; R80-D194 IonicContact NH1-OD2 3.2Å; R80-D194 PolarHBondContact NH1-OD2 3.04Å |
| 81 | A | 95.1 | Very high | 93.1 | Very high | 61 Ų | 61 | 61.8 Ų | 61.8 | 50% | 0.504 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P77 S78 L79 R85 | P77-A81 WeakPolarHBondContact O-CB 3.49Å; P77-A81 PolarHBondContact O-N 3.39Å; S78-A81 PolarHBondContact O-N 3.48Å; L79-A81 PolarHBondContact O-N 3.46Å; A81-R85 WeakPolarHBondContact O-CB 3.44Å; A81-R85 PolarHBondContact O-N 3.35Å |
| 82 | V | 97.1 | Very high | 93.4 | Very high | 70 Ų | 70 | 57.5 Ų | 57.5 | 42% | 0.424 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 175 | 174.4 | 0 | 0 | 0 | 0 | 111 | Q65 S78 L79 R80 R85 T86 | Q65-V82 HydrophobicContact CG-CG1 4.41Å; Q65-V82 PolarHBondContact OE1-O 3.31Å; S78-V82 WeakPolarHBondContact O-CG2 3.38Å; S78-V82 PolarHBondContact O-N 3.1Å; S78-V82 VanDerWaalsContact O-N 3.08Å; L79-V82 PolarHBondContact O-N 2.93Å; R80-V82 VanDerWaalsContact C-N 3.33Å; R80-V82 PolarHBondContact O-N 3.36Å; V82-R85 PolarHBondContact O-N 3.08Å; V82-T86 WeakPolarHBondContact O-CB 3.49Å; V82-T86 PolarHBondContact O-N 3.48Å; V82-T86 PolarHBondContact O-OG1 2.89Å |
| 83 | L | 97 | Very high | 94 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.1 | -49.9 | 175.1 | -168.8 | 83.7 | 0 | 0 | 0 | 111.2 | Y62 Q65 V66 I69 L79 R80 R85 T86 R87 L143 | Y62-L83 HydrophobicContact CD2-CD1 3.92Å; Y62-L83 HydrophobicContact CD2-CG 4.44Å; Y62-L83 HydrophobicContact CE2-CD1 3.46Å; Y62-L83 VanDerWaalsContact CE2-CD1 3.46Å; Y62-L83 HydrophobicContact CE2-CG 3.64Å; Q65-L83 HydrophobicContact CB-CD1 3.76Å; Q65-L83 VanDerWaalsContact OE1-CA 3.23Å; V66-L83 HydrophobicContact CG2-CD1 3.92Å; I69-L83 HydrophobicContact CD1-CB 4.46Å; I69-L83 HydrophobicContact CD1-CD1 3.93Å; I69-L83 HydrophobicContact CD1-CD2 3.56Å; I69-L83 HydrophobicContact CD1-CG 4.16Å; L79-L83 WeakPolarHBondContact O-CB 3.42Å; L79-L83 PolarHBondContact O-N 3.01Å; R80-L83 WeakPolarHBondContact O-CB 3.35Å; R80-L83 PolarHBondContact O-N 2.99Å; L83-R85 PolarHBondContact O-N 3.36Å; L83-T86 PolarHBondContact O-N 3.39Å; L83-R87 WeakPolarHBondContact O-CB 3.41Å; L83-R87 PolarHBondContact O-N 3.45Å; L83-L143 HydrophobicContact CD2-CD1 4.43Å |
| 84 | H | 97.5 | Very high | 95 | Very high | 70 Ų | 70 | 49.6 Ų | 49.6 | 32% | 0.324 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.8 | -52.4 | 175.9 | 174.7 | -78.5 | 0 | 0 | 0 | 111.3 | R80 T86 R87 T88 | R80-H84 WeakPolarHBondContact O-CB 3.39Å; R80-H84 PolarHBondContact O-N 2.95Å; H84-T86 VanDerWaalsContact C-N 3.31Å; H84-T86 PolarHBondContact O-N 3.14Å; H84-R87 PolarHBondContact CD2-NH2 3.04Å; H84-R87 VanDerWaalsContact CD2-NH2 3.3Å; H84-R87 WeakPolarHBondContact O-CB 3.46Å; H84-R87 PolarHBondContact O-N 3.21Å; H84-T88 PolarHBondContact CE1-OG1 2.87Å; H84-T88 PolarHBondContact O-N 2.97Å; H84-T88 PolarHBondContact O-OG1 3.21Å; H84-T88 VanDerWaalsContact O-OG1 3.1Å |
| 85 | R | 98.3 | Very high | 95.9 | Very high | 194 Ų | 194 | 50.5 Ų | 50.5 | 73% | 0.732 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -58.7 | -44.1 | -180 | -177.8 | -176.8 | -71.8 | 176.5 | -2.2 | 111.7 | A81 V82 L83 K89 | A81-R85 WeakPolarHBondContact O-CB 3.44Å; A81-R85 PolarHBondContact O-N 3.35Å; V82-R85 PolarHBondContact O-N 3.08Å; L83-R85 PolarHBondContact O-N 3.36Å; R85-K89 WeakPolarHBondContact O-CB 3.44Å; R85-K89 PolarHBondContact O-N 3.39Å; R85-K89 VanDerWaalsContact O-N 3.08Å |
| 86 | T | 98.6 | Very high | 96.6 | Very high | 13 Ų | 13 | 49.9 Ų | 49.9 | 8% | 0.08 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 178.6 | -54.4 | 0 | 0 | 0 | 0 | 110.2 | L58 L61 Y62 Q65 V82 L83 H84 K89 G90 | L58-T86 HydrophobicContact CD2-CG2 3.87Å; L58-T86 HydrophobicContact CG-CG2 3.9Å; L61-T86 HydrophobicContact CD2-CG2 4.36Å; L61-T86 HydrophobicContact CG-CG2 4.44Å; Y62-T86 HydrophobicContact CD2-CG2 3.94Å; Y62-T86 HydrophobicContact CG-CG2 4.46Å; Q65-T86 PolarHBondContact NE2-OG1 3.37Å; Q65-T86 PolarHBondContact OE1-OG1 2.9Å; Q65-T86 VanDerWaalsContact OE1-OG1 3.12Å; V82-T86 WeakPolarHBondContact O-CB 3.49Å; V82-T86 PolarHBondContact O-N 3.48Å; V82-T86 PolarHBondContact O-OG1 2.89Å; L83-T86 PolarHBondContact O-N 3.39Å; H84-T86 VanDerWaalsContact C-N 3.31Å; H84-T86 PolarHBondContact O-N 3.14Å; T86-K89 PolarHBondContact O-N 3.36Å; T86-G90 PolarHBondContact O-N 2.88Å |
| 87 | R | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57 | -54.7 | 176.9 | -167.1 | -175.5 | 70.2 | -125.7 | -2.9 | 112.2 | Y62 L83 H84 K89 G90 C91 F132 M136 D201 | Y62-R87 HydrophobicContact CD2-CB 4.48Å; Y62-R87 HydrophobicContact CE2-CB 3.77Å; Y62-R87 HydrophobicContact CE2-CG 4.28Å; L83-R87 WeakPolarHBondContact O-CB 3.41Å; L83-R87 PolarHBondContact O-N 3.45Å; H84-R87 PolarHBondContact CD2-NH2 3.04Å; H84-R87 VanDerWaalsContact CD2-NH2 3.3Å; H84-R87 WeakPolarHBondContact O-CB 3.46Å; H84-R87 PolarHBondContact O-N 3.21Å; R87-K89 VanDerWaalsContact C-N 3.31Å; R87-K89 PolarHBondContact O-N 3.11Å; R87-G90 WeakPolarHBondContact O-CA 3.39Å; R87-G90 PolarHBondContact O-N 3.05Å; R87-C91 PolarHBondContact O-N 2.88Å; R87-C91 PolarHBondContact O-SG 3.45Å; R87-C91 VanDerWaalsContact O-SG 3.37Å; R87-F132 HydrophobicContact CG-CZ 4.37Å; R87-M136 HydrophobicContact CG-CE 3.89Å; R87-M136 HydrophobicContact CG-CG 4.49Å; R87-M136 HydrophobicContact CG-SD 4.37Å; R87-D201 IonicContact CZ-OD2 3.44Å; R87-D201 IonicContact NE-OD2 2.78Å; R87-D201 PolarHBondContact NE-OD2 3.3Å; R87-D201 IonicContact NH2-OD2 2.73Å; R87-D201 PolarHBondContact NH2-OD2 3.02Å |
| 88 | T | 98.5 | Very high | 97.3 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 41% | 0.411 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.9 | -43.4 | -178.8 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | H84 G90 C91 A92 | H84-T88 PolarHBondContact CE1-OG1 2.87Å; H84-T88 PolarHBondContact O-N 2.97Å; H84-T88 PolarHBondContact O-OG1 3.21Å; H84-T88 VanDerWaalsContact O-OG1 3.1Å; T88-G90 VanDerWaalsContact C-N 3.34Å; T88-C91 PolarHBondContact O-N 3.45Å; T88-A92 PolarHBondContact O-N 3.07Å; T88-A92 VanDerWaalsContact O-N 3.14Å |
| 89 | K | 98.6 | Very high | 97.4 | Very high | 126 Ų | 126 | 47.4 Ų | 47.4 | 55% | 0.548 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.1 | -176.2 | -179.5 | 176.3 | -176.2 | 0 | 111.3 | L58 R85 T86 R87 A92 M93 | L58-K89 HydrophobicContact CD1-CB 3.89Å; L58-K89 HydrophobicContact CD1-CD 3.79Å; L58-K89 HydrophobicContact CD1-CG 3.63Å; R85-K89 WeakPolarHBondContact O-CB 3.44Å; R85-K89 PolarHBondContact O-N 3.39Å; R85-K89 VanDerWaalsContact O-N 3.08Å; T86-K89 PolarHBondContact O-N 3.36Å; R87-K89 VanDerWaalsContact C-N 3.31Å; R87-K89 PolarHBondContact O-N 3.11Å; K89-A92 PolarHBondContact O-N 3.5Å; K89-M93 HydrophobicContact CD-SD 4.27Å; K89-M93 HydrophobicContact CG-CG 4.35Å; K89-M93 HydrophobicContact CG-SD 3.84Å; K89-M93 WeakPolarHBondContact O-CB 3.34Å; K89-M93 VanDerWaalsContact O-CG 3.27Å; K89-M93 WeakPolarHBondContact O-CG 3.46Å; K89-M93 PolarHBondContact O-N 3.28Å |
| 90 | G | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | F55 L58 T86 R87 T88 M93 A94 | F55-G90 WeakPolarHBondContact CE2-O 3.35Å; L58-G90 VanDerWaalsContact CD2-CA 3.42Å; T86-G90 PolarHBondContact O-N 2.88Å; R87-G90 WeakPolarHBondContact O-CA 3.39Å; R87-G90 PolarHBondContact O-N 3.05Å; T88-G90 VanDerWaalsContact C-N 3.34Å; G90-M93 PolarHBondContact O-N 2.76Å; G90-A94 WeakPolarHBondContact O-CB 3.37Å; G90-A94 PolarHBondContact O-N 3.26Å |
| 91 | C | 98.6 | Very high | 97.5 | Very high | 11 Ų | 11 | 48 Ų | 48 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 176 | -66.3 | 0 | 0 | 0 | 0 | 111.9 | R87 T88 M93 A94 Q95 M205 | R87-C91 PolarHBondContact O-N 2.88Å; R87-C91 PolarHBondContact O-SG 3.45Å; R87-C91 VanDerWaalsContact O-SG 3.37Å; T88-C91 PolarHBondContact O-N 3.45Å; C91-M93 PolarHBondContact O-N 2.99Å; C91-A94 PolarHBondContact O-N 2.87Å; C91-Q95 WeakPolarHBondContact O-CG 3.46Å; C91-Q95 PolarHBondContact O-N 2.95Å; C91-Q95 VanDerWaalsContact O-N 3.13Å; C91-M205 HydrophobicContact CB-CE 3.91Å; C91-M205 HydrophobicContact CB-SD 4.25Å |
| 92 | A | 98.4 | Very high | 97.3 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 47% | 0.471 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | T88 K89 Q95 A96 | T88-A92 PolarHBondContact O-N 3.07Å; T88-A92 VanDerWaalsContact O-N 3.14Å; K89-A92 PolarHBondContact O-N 3.5Å; A92-Q95 PolarHBondContact O-N 3.35Å; A92-A96 WeakPolarHBondContact O-CB 3.45Å; A92-A96 PolarHBondContact O-N 3.3Å |
| 93 | M | 98.4 | Very high | 97 | Very high | 21 Ų | 21 | 49.2 Ų | 49.2 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 178.9 | -72.8 | 177 | 71.8 | 0 | 0 | 112.9 | E54 F55 L58 K89 G90 C91 Q95 A96 A97 | E54-M93 VanDerWaalsContact C-CE 3.44Å; E54-M93 HydrophobicContact CB-CE 3.31Å; F55-M93 HydrophobicContact CB-CB 4.37Å; F55-M93 HydrophobicContact CB-CE 4.25Å; F55-M93 HydrophobicContact CD2-CB 4.15Å; F55-M93 VanDerWaalsContact N-CE 3.34Å; L58-M93 HydrophobicContact CD1-SD 3.65Å; K89-M93 HydrophobicContact CD-SD 4.27Å; K89-M93 HydrophobicContact CG-CG 4.35Å; K89-M93 HydrophobicContact CG-SD 3.84Å; K89-M93 WeakPolarHBondContact O-CB 3.34Å; K89-M93 VanDerWaalsContact O-CG 3.27Å; K89-M93 WeakPolarHBondContact O-CG 3.46Å; K89-M93 PolarHBondContact O-N 3.28Å; G90-M93 PolarHBondContact O-N 2.76Å; C91-M93 PolarHBondContact O-N 2.99Å; M93-Q95 VanDerWaalsContact C-N 3.32Å; M93-Q95 PolarHBondContact O-N 3.31Å; M93-A96 PolarHBondContact O-N 3.24Å; M93-A97 WeakPolarHBondContact O-CB 3.47Å; M93-A97 PolarHBondContact O-N 3.26Å |
| 94 | A | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F55 G90 C91 A97 H98 L129 M205 L208 | F55-A94 HydrophobicContact CD2-CB 4.41Å; F55-A94 HydrophobicContact CE1-CB 4.16Å; F55-A94 HydrophobicContact CE2-CB 3.9Å; F55-A94 HydrophobicContact CZ-CB 3.77Å; G90-A94 WeakPolarHBondContact O-CB 3.37Å; G90-A94 PolarHBondContact O-N 3.26Å; C91-A94 PolarHBondContact O-N 2.87Å; A94-A97 PolarHBondContact O-N 2.88Å; A94-H98 WeakPolarHBondContact O-CB 3.4Å; A94-H98 PolarHBondContact O-N 3.3Å; A94-L129 HydrophobicContact CB-CD1 4.06Å; A94-M205 HydrophobicContact CB-SD 3.95Å; A94-L208 HydrophobicContact CB-CD2 3.85Å |
| 95 | Q | 98.3 | Very high | 96 | Very high | 78 Ų | 78 | 47.9 Ų | 47.9 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 175.7 | -71 | 176.6 | 0.4 | 0 | 0 | 111.7 | C91 A92 M93 H98 Q99 M205 L208 | C91-Q95 WeakPolarHBondContact O-CG 3.46Å; C91-Q95 PolarHBondContact O-N 2.95Å; C91-Q95 VanDerWaalsContact O-N 3.13Å; A92-Q95 PolarHBondContact O-N 3.35Å; M93-Q95 VanDerWaalsContact C-N 3.32Å; M93-Q95 PolarHBondContact O-N 3.31Å; Q95-H98 PolarHBondContact O-N 2.9Å; Q95-Q99 VanDerWaalsContact O-CG 3.29Å; Q95-Q99 WeakPolarHBondContact O-CG 3.38Å; Q95-Q99 PolarHBondContact O-N 3.49Å; Q95-M205 HydrophobicContact CG-CE 4.41Å; Q95-L208 HydrophobicContact CG-CD2 4.16Å |
| 96 | A | 97.8 | Very high | 95 | Very high | 35 Ų | 35 | 42 Ų | 42 | 29% | 0.289 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T51 A92 M93 H98 Q99 N100 | T51-A96 HydrophobicContact CG2-CB 4.46Å; A92-A96 WeakPolarHBondContact O-CB 3.45Å; A92-A96 PolarHBondContact O-N 3.3Å; M93-A96 PolarHBondContact O-N 3.24Å; A96-H98 PolarHBondContact O-N 3.41Å; A96-Q99 PolarHBondContact O-N 3.47Å; A96-N100 WeakPolarHBondContact O-CB 3.36Å; A96-N100 PolarHBondContact O-N 3.4Å; A96-N100 PolarHBondContact O-ND2 3.2Å |
| 97 | A | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T51 V52 M93 A94 N100 L101 L125 | T51-A97 HydrophobicContact CG2-CB 3.93Å; V52-A97 HydrophobicContact CG2-CB 4.04Å; M93-A97 WeakPolarHBondContact O-CB 3.47Å; M93-A97 PolarHBondContact O-N 3.26Å; A94-A97 PolarHBondContact O-N 2.88Å; A97-N100 PolarHBondContact O-N 3.19Å; A97-L101 PolarHBondContact O-N 3.07Å; A97-L125 HydrophobicContact CB-CD1 3.81Å; A97-L125 HydrophobicContact CB-CD2 3.89Å |
| 98 | H | 97.3 | Very high | 91.8 | Very high | 21 Ų | 21 | 46.5 Ų | 46.5 | 10% | 0.097 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 175.5 | 174.6 | -81.2 | 0 | 0 | 0 | 111.6 | A94 Q95 A96 N100 L101 T102 L125 L208 | A94-H98 WeakPolarHBondContact O-CB 3.4Å; A94-H98 PolarHBondContact O-N 3.3Å; Q95-H98 PolarHBondContact O-N 2.9Å; A96-H98 PolarHBondContact O-N 3.41Å; H98-N100 VanDerWaalsContact C-N 3.34Å; H98-N100 PolarHBondContact O-N 3.28Å; H98-L101 WeakPolarHBondContact O-CB 3.3Å; H98-L101 PolarHBondContact O-N 3.44Å; H98-T102 PolarHBondContact CE1-OG1 2.9Å; H98-T102 PolarHBondContact O-N 3.13Å; H98-T102 PolarHBondContact O-OG1 3.44Å; H98-L125 HydrophobicContact CB-CD2 4.13Å; H98-L208 HydrophobicContact CB-CD1 3.81Å; H98-L208 HydrophobicContact CB-CG 4.42Å |
| 99 | Q | 95.5 | Very high | 89.7 | Confident | 120 Ų | 120 | 47.8 Ų | 47.8 | 56% | 0.561 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.4 | -45.6 | 178 | -72.6 | 171 | 7.4 | 0 | 0 | 111.6 | Q95 A96 L101 T102 V103 | Q95-Q99 VanDerWaalsContact O-CG 3.29Å; Q95-Q99 WeakPolarHBondContact O-CG 3.38Å; Q95-Q99 PolarHBondContact O-N 3.49Å; A96-Q99 PolarHBondContact O-N 3.47Å; Q99-L101 VanDerWaalsContact C-N 3.32Å; Q99-L101 PolarHBondContact O-N 3.37Å; Q99-T102 PolarHBondContact O-N 3.26Å; Q99-V103 WeakPolarHBondContact O-CG2 3.47Å; Q99-V103 PolarHBondContact O-N 3.37Å |
| 100 | N | 94.7 | Very high | 87.5 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 31% | 0.31 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.5 | -44.9 | 175.4 | -70.8 | -17.5 | 0 | 0 | 0 | 111.1 | C48 A96 A97 H98 V103 I104 | C48-N100 HydrophobicContact CB-CB 3.99Å; A96-N100 WeakPolarHBondContact O-CB 3.36Å; A96-N100 PolarHBondContact O-N 3.4Å; A96-N100 PolarHBondContact O-ND2 3.2Å; A97-N100 PolarHBondContact O-N 3.19Å; H98-N100 VanDerWaalsContact C-N 3.34Å; H98-N100 PolarHBondContact O-N 3.28Å; N100-V103 PolarHBondContact O-N 3.32Å; N100-I104 WeakPolarHBondContact O-CG1 3.47Å; N100-I104 WeakPolarHBondContact O-CG2 3.48Å; N100-I104 PolarHBondContact O-N 2.86Å |
| 101 | L | 93.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 176 | -83.8 | 173.1 | 0 | 0 | 0 | 112.9 | A97 H98 Q99 V103 I104 S105 I118 L121 F122 L125 L212 | A97-L101 PolarHBondContact O-N 3.07Å; H98-L101 WeakPolarHBondContact O-CB 3.3Å; H98-L101 PolarHBondContact O-N 3.44Å; Q99-L101 VanDerWaalsContact C-N 3.32Å; Q99-L101 PolarHBondContact O-N 3.37Å; L101-V103 VanDerWaalsContact C-N 3.34Å; L101-V103 PolarHBondContact O-N 3.49Å; L101-I104 HydrophobicContact CD2-CD1 3.79Å; L101-I104 HydrophobicContact CD2-CG1 4.43Å; L101-I104 WeakPolarHBondContact O-CG1 3.44Å; L101-S105 VanDerWaalsContact O-CB 3.25Å; L101-S105 WeakPolarHBondContact O-CB 3.43Å; L101-S105 PolarHBondContact O-N 3.13Å; L101-S105 PolarHBondContact O-OG 3.35Å; L101-I118 HydrophobicContact CD2-CG2 4.41Å; L101-L121 HydrophobicContact CD1-CB 4.5Å; L101-L121 HydrophobicContact CD2-CB 3.48Å; L101-L121 VanDerWaalsContact CD2-CB 3.48Å; L101-L121 HydrophobicContact CD2-CD1 4.21Å; L101-L121 HydrophobicContact CG-CB 4.48Å; L101-F122 HydrophobicContact CB-CE1 4.5Å; L101-F122 HydrophobicContact CB-CE2 4.23Å; L101-F122 HydrophobicContact CB-CZ 4.06Å; L101-F122 HydrophobicContact CD1-CD1 4.37Å; L101-F122 HydrophobicContact CD1-CD2 4.44Å; L101-F122 HydrophobicContact CD1-CG 4.3Å; L101-F122 HydrophobicContact CD2-CD2 4.01Å; L101-F122 HydrophobicContact CD2-CE2 4.02Å; L101-L125 HydrophobicContact CD1-CB 4.06Å; L101-L125 HydrophobicContact CD1-CD2 3.56Å; L101-L125 HydrophobicContact CD1-CG 4.46Å; L101-L212 HydrophobicContact CD1-CD1 4.26Å |
| 102 | T | 91.4 | Very high | 83.6 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 36% | 0.362 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 177.4 | -53.7 | 0 | 0 | 0 | 0 | 111 | H98 Q99 S105 G106 | H98-T102 PolarHBondContact CE1-OG1 2.9Å; H98-T102 PolarHBondContact O-N 3.13Å; H98-T102 PolarHBondContact O-OG1 3.44Å; Q99-T102 PolarHBondContact O-N 3.26Å; T102-S105 PolarHBondContact O-N 3.02Å; T102-G106 PolarHBondContact O-N 2.95Å |
| 103 | V | 90.1 | Very high | 82.1 | Confident | 99 Ų | 99 | 66.1 Ų | 66.1 | 60% | 0.6 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.6 | -50.1 | 179.4 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | Q99 N100 L101 S105 G106 S107 | Q99-V103 WeakPolarHBondContact O-CG2 3.47Å; Q99-V103 PolarHBondContact O-N 3.37Å; N100-V103 PolarHBondContact O-N 3.32Å; L101-V103 VanDerWaalsContact C-N 3.34Å; L101-V103 PolarHBondContact O-N 3.49Å; V103-S105 VanDerWaalsContact C-N 3.28Å; V103-S105 PolarHBondContact O-N 3.08Å; V103-G106 PolarHBondContact O-N 3.08Å; V103-S107 WeakPolarHBondContact O-CB 3.37Å; V103-S107 PolarHBondContact O-N 2.87Å; V103-S107 VanDerWaalsContact O-N 3.12Å; V103-S107 PolarHBondContact O-OG 3.25Å |
| 104 | I | 89.6 | Confident | 81 | Confident | 8 Ų | 8 | 68.4 Ų | 68.4 | 4% | 0.041 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.5 | -27.6 | -177.6 | 66.5 | -172.8 | 0 | 0 | 0 | 113 | A44 V45 C48 N100 L101 S107 I118 L121 | A44-I104 HydrophobicContact CB-CG2 3.64Å; V45-I104 HydrophobicContact CG2-CB 4.35Å; V45-I104 HydrophobicContact CG2-CD1 4.24Å; V45-I104 HydrophobicContact CG2-CG2 4.44Å; C48-I104 HydrophobicContact CB-CD1 3.89Å; N100-I104 WeakPolarHBondContact O-CG1 3.47Å; N100-I104 WeakPolarHBondContact O-CG2 3.48Å; N100-I104 PolarHBondContact O-N 2.86Å; L101-I104 HydrophobicContact CD2-CD1 3.79Å; L101-I104 HydrophobicContact CD2-CG1 4.43Å; L101-I104 WeakPolarHBondContact O-CG1 3.44Å; I104-S107 PolarHBondContact O-OG 3.42Å; I104-I118 HydrophobicContact CD1-CG1 4.34Å; I104-I118 HydrophobicContact CG1-CD1 4.44Å; I104-I118 HydrophobicContact CG1-CG1 4.47Å; I104-L121 HydrophobicContact CD1-CD1 4.35Å |
| 105 | S | 85.5 | Confident | 80.2 | Confident | 36 Ų | 36 | 73 Ų | 73 | 25% | 0.252 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -80.1 | -32.2 | 178.1 | -52.9 | 0 | 0 | 0 | 0 | 112.3 | L101 T102 V103 I118 F122 | L101-S105 VanDerWaalsContact O-CB 3.25Å; L101-S105 WeakPolarHBondContact O-CB 3.43Å; L101-S105 PolarHBondContact O-N 3.13Å; L101-S105 PolarHBondContact O-OG 3.35Å; T102-S105 PolarHBondContact O-N 3.02Å; V103-S105 VanDerWaalsContact C-N 3.28Å; V103-S105 PolarHBondContact O-N 3.08Å; S105-I118 VanDerWaalsContact OG-CG2 3.29Å; S105-I118 WeakPolarHBondContact OG-CG2 3.45Å; S105-F122 VanDerWaalsContact OG-CE2 3.24Å; S105-F122 WeakPolarHBondContact OG-CE2 3.44Å |
| 106 | G | 77.6 | Confident | 79.7 | Confident | 72 Ų | 72 | 73.1 Ų | 73.1 | 74% | 0.742 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -78 | -18 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | T102 V103 | T102-G106 PolarHBondContact O-N 2.95Å; V103-G106 PolarHBondContact O-N 3.08Å |
| 107 | S | 67.8 | Low | 79.3 | Confident | 71 Ų | 71 | 73.3 Ų | 73.3 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 12.2 | 179.4 | 66.2 | 0 | 0 | 0 | 0 | 114.5 | V103 I104 | V103-S107 WeakPolarHBondContact O-CB 3.37Å; V103-S107 PolarHBondContact O-N 2.87Å; V103-S107 VanDerWaalsContact O-N 3.12Å; V103-S107 PolarHBondContact O-OG 3.25Å; I104-S107 PolarHBondContact O-OG 3.42Å |
| 108 | G | 61.5 | Low | 79 | Confident | 38 Ų | 38 | 73.9 Ų | 73.9 | 39% | 0.392 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -63.3 | 155.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E110 | G108-E110 PolarHBondContact O-N 3.09Š|
| 109 | P | 53.8 | Low | 78.7 | Confident | 93 Ų | 93 | 73.7 Ų | 73.7 | 60% | 0.604 | 44% | 0.439 | S | S | * | . | trans | -58.1 | 139.9 | 174.6 | 24.3 | -30.7 | 0 | 0 | 0 | 109.9 | D111 G112 | P109-D111 PolarHBondContact O-N 2.99Å; P109-G112 PolarHBondContact O-N 3Å; P109-G112 VanDerWaalsContact O-N 3.13Å | ||
| 110 | E | 53.7 | Low | 78.6 | Confident | 204 Ų | 204 | 74.9 Ų | 74.9 | 95% | 0.953 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -8.6 | 177.2 | -61.3 | -87 | 125.7 | 0 | 0 | 113.6 | G108 G112 | G108-E110 PolarHBondContact O-N 3.09Å; E110-G112 PolarHBondContact O-N 3.19Å |
| 111 | D | 57.3 | Low | 78.7 | Confident | 145 Ų | 145 | 72.1 Ų | 72.1 | 78% | 0.775 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -0.7 | 175.5 | -139 | 14.2 | 0 | 0 | 0 | 113.8 | P109 E113 | P109-D111 PolarHBondContact O-N 2.99Å; D111-E113 PolarHBondContact O-N 3.2Å |
| 112 | G | 57.8 | Low | 78.8 | Confident | 64 Ų | 64 | 72.1 Ų | 72.1 | 66% | 0.66 | 42% | 0.423 | S | S | * | . | trans | 74.2 | -3.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | P109 E110 I114 | P109-G112 PolarHBondContact O-N 3Å; P109-G112 VanDerWaalsContact O-N 3.13Å; E110-G112 PolarHBondContact O-N 3.19Å; G112-I114 PolarHBondContact O-N 2.93Å | ||
| 113 | E | 67 | Low | 78.9 | Confident | 166 Ų | 166 | 73 Ų | 73 | 78% | 0.776 | 43% | 0.425 | S | S | * | . | trans | -82.5 | 104.9 | 175.8 | -71.3 | -153.1 | 160.8 | 0 | 0 | 112 | D111 H115 | D111-E113 PolarHBondContact O-N 3.2Å; E113-H115 PolarHBondContact O-N 3.24Å | ||
| 114 | I | 74.8 | Confident | 79.3 | Confident | 70 Ų | 70 | 72.4 Ų | 72.4 | 36% | 0.359 | 42% | 0.415 | S | S | . | . | trans | -72.4 | 124.4 | 173.4 | -60.3 | 174.3 | 0 | 0 | 0 | 108.9 | G112 I118 P217 | G112-I114 PolarHBondContact O-N 2.93Å; I114-I118 HydrophobicContact CG2-CB 4.31Å; I114-I118 HydrophobicContact CG2-CG2 4.42Å; I114-P217 HydrophobicContact CD1-CB 3.58Å; I114-P217 HydrophobicContact CD1-CG 4.12Å; I114-P217 HydrophobicContact CG2-CB 4.19Å; I114-P217 HydrophobicContact CG2-CG 4.01Å | ||
| 115 | H | 81.4 | Confident | 79.7 | Confident | 96 Ų | 96 | 72 Ų | 72 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | trans | -60.2 | 129.2 | 179.7 | -168.9 | -80.3 | 0 | 0 | 0 | 110.6 | E113 E117 I118 | E113-H115 PolarHBondContact O-N 3.24Å; H115-E117 WeakPolarHBondContact ND1-CB 3.47Å; H115-E117 PolarHBondContact ND1-N 3.08Å; H115-E117 PolarHBondContact O-N 3.45Å; H115-I118 HydrophobicContact CB-CD1 4.03Å; H115-I118 HydrophobicContact CB-CG1 4.2Å; H115-I118 WeakPolarHBondContact O-CB 3.35Å; H115-I118 PolarHBondContact O-N 3.12Å | ||
| 116 | P | 86.8 | Confident | 80.2 | Confident | 81 Ų | 81 | 72.2 Ų | 72.2 | 53% | 0.526 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.2 | -26 | -172.5 | 22.8 | -34.4 | 0 | 0 | 0 | 113.5 | I118 C119 R120 | P116-I118 VanDerWaalsContact C-N 3.32Å; P116-C119 WeakPolarHBondContact O-CB 3.44Å; P116-C119 PolarHBondContact O-N 3.24Å; P116-R120 PolarHBondContact O-N 2.98Å; P116-R120 VanDerWaalsContact O-N 3.11Å |
| 117 | E | 90.3 | Very high | 81.2 | Confident | 39 Ų | 39 | 71.5 Ų | 71.5 | 18% | 0.182 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.5 | -35.1 | 173.5 | -167.5 | 64.4 | -174.2 | 0 | 0 | 112.7 | V45 H115 C119 R120 L121 | V45-E117 HydrophobicContact CG1-CG 4.31Å; H115-E117 WeakPolarHBondContact ND1-CB 3.47Å; H115-E117 PolarHBondContact ND1-N 3.08Å; H115-E117 PolarHBondContact O-N 3.45Å; E117-C119 VanDerWaalsContact C-N 3.33Å; E117-C119 PolarHBondContact O-N 3.37Å; E117-R120 WeakPolarHBondContact O-CB 3.43Å; E117-R120 PolarHBondContact O-N 3.45Å; E117-R120 WeakPolarHBondContact OE2-CD 3.4Å; E117-R120 IonicContact OE2-CZ 2.74Å; E117-R120 IonicContact OE2-NH1 3.78Å; E117-R120 PolarHBondContact OE2-NH1 2.83Å; E117-L121 WeakPolarHBondContact O-CG 3.39Å; E117-L121 PolarHBondContact O-N 3.23Å |
| 118 | I | 90.8 | Very high | 82.7 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 6% | 0.062 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 176.3 | -63.2 | 173.6 | 0 | 0 | 0 | 109.2 | V45 L101 I104 S105 I114 H115 P116 R120 L121 F122 | V45-I118 HydrophobicContact CG2-CG1 4.4Å; L101-I118 HydrophobicContact CD2-CG2 4.41Å; I104-I118 HydrophobicContact CD1-CG1 4.34Å; I104-I118 HydrophobicContact CG1-CD1 4.44Å; I104-I118 HydrophobicContact CG1-CG1 4.47Å; S105-I118 VanDerWaalsContact OG-CG2 3.29Å; S105-I118 WeakPolarHBondContact OG-CG2 3.45Å; I114-I118 HydrophobicContact CG2-CB 4.31Å; I114-I118 HydrophobicContact CG2-CG2 4.42Å; H115-I118 HydrophobicContact CB-CD1 4.03Å; H115-I118 HydrophobicContact CB-CG1 4.2Å; H115-I118 WeakPolarHBondContact O-CB 3.35Å; H115-I118 PolarHBondContact O-N 3.12Å; P116-I118 VanDerWaalsContact C-N 3.32Å; I118-R120 VanDerWaalsContact C-N 3.31Å; I118-R120 PolarHBondContact O-N 2.91Å; I118-L121 WeakPolarHBondContact O-CB 3.42Å; I118-L121 PolarHBondContact O-N 3.48Å; I118-L121 VanDerWaalsContact O-N 3.07Å; I118-F122 HydrophobicContact CG2-CD2 3.95Å; I118-F122 HydrophobicContact CG2-CE2 3.78Å; I118-F122 WeakPolarHBondContact O-CD2 3.48Å; I118-F122 PolarHBondContact O-N 3.37Å |
| 119 | C | 91.6 | Very high | 84.4 | Confident | 17 Ų | 17 | 66.5 Ų | 66.5 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.6 | -42.4 | 174.4 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | P116 E117 L121 F122 I123 L220 | P116-C119 WeakPolarHBondContact O-CB 3.44Å; P116-C119 PolarHBondContact O-N 3.24Å; E117-C119 VanDerWaalsContact C-N 3.33Å; E117-C119 PolarHBondContact O-N 3.37Å; C119-L121 VanDerWaalsContact C-N 3.32Å; C119-L121 PolarHBondContact O-N 3.37Å; C119-F122 PolarHBondContact O-N 2.99Å; C119-I123 WeakPolarHBondContact O-CG1 3.36Å; C119-I123 PolarHBondContact O-N 3.17Å; C119-I123 VanDerWaalsContact O-N 3.09Å; C119-L220 HydrophobicContact CB-CD1 3.88Å; C119-L220 HydrophobicContact CB-CD2 4.24Å; C119-L220 HydrophobicContact CB-CG 4.21Å |
| 120 | R | 94.1 | Very high | 86.5 | Confident | 144 Ų | 144 | 65 Ų | 65 | 54% | 0.543 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 174.9 | -69.2 | 176.2 | -175.5 | 158.5 | -2.9 | 112.2 | P116 E117 I118 I123 Q124 | P116-R120 PolarHBondContact O-N 2.98Å; P116-R120 VanDerWaalsContact O-N 3.11Å; E117-R120 WeakPolarHBondContact O-CB 3.43Å; E117-R120 PolarHBondContact O-N 3.45Å; E117-R120 WeakPolarHBondContact OE2-CD 3.4Å; E117-R120 IonicContact OE2-CZ 2.74Å; E117-R120 IonicContact OE2-NH1 3.78Å; E117-R120 PolarHBondContact OE2-NH1 2.83Å; I118-R120 VanDerWaalsContact C-N 3.31Å; I118-R120 PolarHBondContact O-N 2.91Å; R120-I123 PolarHBondContact O-N 3.33Å; R120-Q124 WeakPolarHBondContact O-CB 3.47Å; R120-Q124 VanDerWaalsContact O-CG 3.26Å; R120-Q124 WeakPolarHBondContact O-CG 3.38Å; R120-Q124 PolarHBondContact O-N 2.79Å |
| 121 | L | 96.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.6 | -38.8 | 176.9 | -68.2 | 174.8 | 0 | 0 | 0 | 112.2 | V45 C48 R49 V52 L101 I104 E117 I118 C119 Q124 L125 | V45-L121 HydrophobicContact CG1-CD1 4.34Å; C48-L121 HydrophobicContact CB-CD1 4.31Å; R49-L121 HydrophobicContact CB-CD1 4.47Å; R49-L121 HydrophobicContact CB-CD2 3.89Å; R49-L121 HydrophobicContact CG-CD2 4.11Å; V52-L121 HydrophobicContact CB-CD2 4.4Å; V52-L121 HydrophobicContact CG2-CD2 4.38Å; L101-L121 HydrophobicContact CD1-CB 4.5Å; L101-L121 HydrophobicContact CD2-CB 3.48Å; L101-L121 VanDerWaalsContact CD2-CB 3.48Å; L101-L121 HydrophobicContact CD2-CD1 4.21Å; L101-L121 HydrophobicContact CG-CB 4.48Å; I104-L121 HydrophobicContact CD1-CD1 4.35Å; E117-L121 WeakPolarHBondContact O-CG 3.39Å; E117-L121 PolarHBondContact O-N 3.23Å; I118-L121 WeakPolarHBondContact O-CB 3.42Å; I118-L121 PolarHBondContact O-N 3.48Å; I118-L121 VanDerWaalsContact O-N 3.07Å; C119-L121 VanDerWaalsContact C-N 3.32Å; C119-L121 PolarHBondContact O-N 3.37Å; L121-Q124 PolarHBondContact O-N 3.07Å; L121-L125 WeakPolarHBondContact O-CB 3.43Å; L121-L125 PolarHBondContact O-N 2.97Å |
| 122 | F | 95.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.8 | -49.1 | 171.9 | -88.6 | -86.1 | 0 | 0 | 0 | 112 | L101 S105 I118 C119 Q124 L125 Q126 L212 M216 P217 L220 | L101-F122 HydrophobicContact CB-CE1 4.5Å; L101-F122 HydrophobicContact CB-CE2 4.23Å; L101-F122 HydrophobicContact CB-CZ 4.06Å; L101-F122 HydrophobicContact CD1-CD1 4.37Å; L101-F122 HydrophobicContact CD1-CD2 4.44Å; L101-F122 HydrophobicContact CD1-CG 4.3Å; L101-F122 HydrophobicContact CD2-CD2 4.01Å; L101-F122 HydrophobicContact CD2-CE2 4.02Å; S105-F122 VanDerWaalsContact OG-CE2 3.24Å; S105-F122 WeakPolarHBondContact OG-CE2 3.44Å; I118-F122 HydrophobicContact CG2-CD2 3.95Å; I118-F122 HydrophobicContact CG2-CE2 3.78Å; I118-F122 WeakPolarHBondContact O-CD2 3.48Å; I118-F122 PolarHBondContact O-N 3.37Å; C119-F122 PolarHBondContact O-N 2.99Å; F122-Q124 PolarHBondContact O-N 3.36Å; F122-L125 PolarHBondContact O-N 2.92Å; F122-Q126 VanDerWaalsContact O-CB 3.31Å; F122-Q126 WeakPolarHBondContact O-CB 3.4Å; F122-Q126 PolarHBondContact O-N 2.83Å; F122-L212 HydrophobicContact CD1-CD1 3.48Å; F122-L212 VanDerWaalsContact CD1-CD1 3.48Å; F122-L212 HydrophobicContact CD1-CG 4.1Å; F122-L212 HydrophobicContact CE1-CD1 3.67Å; F122-M216 HydrophobicContact CB-CE 4.24Å; F122-M216 HydrophobicContact CB-CG 4.21Å; F122-M216 HydrophobicContact CD1-CB 4.29Å; F122-M216 HydrophobicContact CD1-CE 4.43Å; F122-M216 HydrophobicContact CD1-CG 4.07Å; F122-M216 HydrophobicContact CG-CG 4.21Å; F122-P217 HydrophobicContact CD2-CG 3.96Å; F122-P217 HydrophobicContact CE2-CG 3.95Å; F122-L220 HydrophobicContact CB-CD1 4.03Å |
| 123 | I | 95 | Very high | 92.6 | Very high | 77 Ų | 77 | 50 Ų | 50 | 40% | 0.395 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60 | -48.1 | 178.5 | -65.4 | 163.8 | 0 | 0 | 0 | 110.1 | C119 R120 L125 Q126 C127 L220 | C119-I123 WeakPolarHBondContact O-CG1 3.36Å; C119-I123 PolarHBondContact O-N 3.17Å; C119-I123 VanDerWaalsContact O-N 3.09Å; R120-I123 PolarHBondContact O-N 3.33Å; I123-L125 PolarHBondContact O-N 3.46Å; I123-Q126 PolarHBondContact O-N 3.28Å; I123-C127 PolarHBondContact O-N 2.85Å; I123-C127 PolarHBondContact O-SG 3.01Å; I123-L220 HydrophobicContact CD1-CD2 3.82Å; I123-L220 HydrophobicContact CG1-CD1 4.23Å; I123-L220 HydrophobicContact CG1-CD2 4.2Å |
| 124 | Q | 97.2 | Very high | 94.1 | Very high | 86 Ų | 86 | 45.4 Ų | 45.4 | 40% | 0.402 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 179.3 | -75.5 | 175.9 | 8.6 | 0 | 0 | 111.8 | V52 R120 L121 F122 Q126 C127 C128 | V52-Q124 HydrophobicContact CG1-CB 3.79Å; R120-Q124 WeakPolarHBondContact O-CB 3.47Å; R120-Q124 VanDerWaalsContact O-CG 3.26Å; R120-Q124 WeakPolarHBondContact O-CG 3.38Å; R120-Q124 PolarHBondContact O-N 2.79Å; L121-Q124 PolarHBondContact O-N 3.07Å; F122-Q124 PolarHBondContact O-N 3.36Å; Q124-Q126 VanDerWaalsContact C-N 3.34Å; Q124-Q126 PolarHBondContact O-N 3.36Å; Q124-C127 PolarHBondContact O-N 2.67Å; Q124-C128 WeakPolarHBondContact O-CB 3.41Å; Q124-C128 PolarHBondContact O-N 3.39Å; Q124-C128 PolarHBondContact O-SG 2.92Å |
| 125 | L | 98.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 178.9 | -177.2 | 60 | 0 | 0 | 0 | 111.4 | V52 F55 A97 H98 L101 L121 F122 I123 C128 L129 L212 | V52-L125 HydrophobicContact CG2-CB 4.37Å; F55-L125 HydrophobicContact CD1-CD1 3.81Å; F55-L125 HydrophobicContact CE1-CD1 4.01Å; A97-L125 HydrophobicContact CB-CD1 3.81Å; A97-L125 HydrophobicContact CB-CD2 3.89Å; H98-L125 HydrophobicContact CB-CD2 4.13Å; L101-L125 HydrophobicContact CD1-CB 4.06Å; L101-L125 HydrophobicContact CD1-CD2 3.56Å; L101-L125 HydrophobicContact CD1-CG 4.46Å; L121-L125 WeakPolarHBondContact O-CB 3.43Å; L121-L125 PolarHBondContact O-N 2.97Å; F122-L125 PolarHBondContact O-N 2.92Å; I123-L125 PolarHBondContact O-N 3.46Å; L125-C128 PolarHBondContact O-N 2.87Å; L125-L129 VanDerWaalsContact O-CB 3.26Å; L125-L129 WeakPolarHBondContact O-CB 3.26Å; L125-L129 PolarHBondContact O-N 3.38Å; L125-L212 HydrophobicContact CB-CD2 4.27Å; L125-L212 HydrophobicContact CD2-CD1 3.87Å; L125-L212 HydrophobicContact CD2-CD2 4.33Å; L125-L212 HydrophobicContact CG-CD1 4.46Å; L125-L212 HydrophobicContact CG-CD2 4.06Å |
| 126 | Q | 97.3 | Very high | 96 | Very high | 39 Ų | 39 | 38.1 Ų | 38.1 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.4 | -52.7 | 176.1 | -176.5 | -176.9 | -7.9 | 0 | 0 | 110.8 | F122 I123 Q124 C128 L129 E130 L209 L212 M216 | F122-Q126 VanDerWaalsContact O-CB 3.31Å; F122-Q126 WeakPolarHBondContact O-CB 3.4Å; F122-Q126 PolarHBondContact O-N 2.83Å; I123-Q126 PolarHBondContact O-N 3.28Å; Q124-Q126 VanDerWaalsContact C-N 3.34Å; Q124-Q126 PolarHBondContact O-N 3.36Å; Q126-C128 VanDerWaalsContact C-N 3.33Å; Q126-C128 PolarHBondContact O-N 3.09Å; Q126-L129 PolarHBondContact O-N 2.88Å; Q126-E130 PolarHBondContact NE2-OE1 2.85Å; Q126-E130 VanDerWaalsContact NE2-OE1 3.07Å; Q126-E130 WeakPolarHBondContact O-CG 3.39Å; Q126-E130 PolarHBondContact O-N 3.37Å; Q126-L209 HydrophobicContact CG-CD1 3.76Å; Q126-L212 VanDerWaalsContact CA-CD2 3.49Å; Q126-L212 HydrophobicContact CB-CD2 3.73Å; Q126-L212 HydrophobicContact CG-CD2 4.45Å; Q126-M216 HydrophobicContact CB-CE 4.49Å |
| 127 | C | 97.6 | Very high | 96.6 | Very high | 57 Ų | 57 | 37.6 Ų | 37.6 | 39% | 0.385 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 178.8 | -65 | 0 | 0 | 0 | 0 | 111.6 | I123 Q124 L129 E130 M131 | I123-C127 PolarHBondContact O-N 2.85Å; I123-C127 PolarHBondContact O-SG 3.01Å; Q124-C127 PolarHBondContact O-N 2.67Å; C127-L129 VanDerWaalsContact C-N 3.33Å; C127-L129 PolarHBondContact O-N 3.46Å; C127-E130 PolarHBondContact O-N 3.23Å; C127-M131 WeakPolarHBondContact O-CB 3.5Å; C127-M131 VanDerWaalsContact O-CG 3.32Å; C127-M131 WeakPolarHBondContact O-CG 3.38Å; C127-M131 PolarHBondContact O-N 3.02Å |
| 128 | C | 98.3 | Very high | 96.9 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 177.9 | -67.7 | 0 | 0 | 0 | 0 | 111.8 | F55 N56 Q124 L125 Q126 M131 F132 | F55-C128 HydrophobicContact CD1-CB 3.64Å; F55-C128 HydrophobicContact CE1-CB 3.49Å; F55-C128 VanDerWaalsContact CE1-CB 3.49Å; N56-C128 VanDerWaalsContact CB-SG 3.56Å; Q124-C128 WeakPolarHBondContact O-CB 3.41Å; Q124-C128 PolarHBondContact O-N 3.39Å; Q124-C128 PolarHBondContact O-SG 2.92Å; L125-C128 PolarHBondContact O-N 2.87Å; Q126-C128 VanDerWaalsContact C-N 3.33Å; Q126-C128 PolarHBondContact O-N 3.09Å; C128-M131 PolarHBondContact O-N 3.42Å; C128-F132 VanDerWaalsContact O-CB 3.3Å; C128-F132 WeakPolarHBondContact O-CB 3.3Å; C128-F132 PolarHBondContact O-N 3.5Å |
| 129 | L | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70 | -41 | -179.1 | -169.3 | 60.6 | 0 | 0 | 0 | 111.9 | F55 A94 L125 Q126 C127 F132 I133 M205 L208 L209 | F55-L129 HydrophobicContact CZ-CD1 4.38Å; A94-L129 HydrophobicContact CB-CD1 4.06Å; L125-L129 VanDerWaalsContact O-CB 3.26Å; L125-L129 WeakPolarHBondContact O-CB 3.26Å; L125-L129 PolarHBondContact O-N 3.38Å; Q126-L129 PolarHBondContact O-N 2.88Å; C127-L129 VanDerWaalsContact C-N 3.33Å; C127-L129 PolarHBondContact O-N 3.46Å; L129-F132 PolarHBondContact O-N 3.16Å; L129-I133 HydrophobicContact CG-CD1 4.14Å; L129-I133 WeakPolarHBondContact O-CB 3.4Å; L129-I133 WeakPolarHBondContact O-CD1 3.5Å; L129-I133 VanDerWaalsContact O-CG1 3.23Å; L129-I133 WeakPolarHBondContact O-CG1 3.3Å; L129-I133 PolarHBondContact O-N 3.34Å; L129-M205 HydrophobicContact CD1-CB 3.99Å; L129-M205 HydrophobicContact CD1-CG 4.25Å; L129-M205 HydrophobicContact CD1-SD 3.82Å; L129-L208 HydrophobicContact CD1-CD2 4.43Å; L129-L208 HydrophobicContact CD2-CB 4.19Å; L129-L208 HydrophobicContact CD2-CD2 4.18Å; L129-L208 HydrophobicContact CD2-CG 4.09Å; L129-L209 HydrophobicContact CB-CD1 4.34Å; L129-L209 HydrophobicContact CD2-CB 3.64Å; L129-L209 HydrophobicContact CD2-CD1 4.03Å; L129-L209 HydrophobicContact CD2-CG 4.45Å; L129-L209 HydrophobicContact CG-CB 4.23Å; L129-L209 HydrophobicContact CG-CD1 4.39Å |
| 130 | E | 98.3 | Very high | 97.4 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 29% | 0.294 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.2 | -49.1 | 172.8 | -75.6 | 172.3 | 178.8 | 0 | 0 | 111.2 | Q126 C127 F132 I133 T134 L209 R213 | Q126-E130 PolarHBondContact NE2-OE1 2.85Å; Q126-E130 VanDerWaalsContact NE2-OE1 3.07Å; Q126-E130 WeakPolarHBondContact O-CG 3.39Å; Q126-E130 PolarHBondContact O-N 3.37Å; C127-E130 PolarHBondContact O-N 3.23Å; E130-F132 VanDerWaalsContact C-N 3.34Å; E130-F132 PolarHBondContact O-N 3.39Å; E130-I133 PolarHBondContact O-N 3.27Å; E130-T134 PolarHBondContact O-N 3.36Å; E130-T134 PolarHBondContact O-OG1 3.25Å; E130-L209 HydrophobicContact CG-CD1 3.98Å; E130-L209 HydrophobicContact CG-CD2 3.66Å; E130-L209 HydrophobicContact CG-CG 4.5Å; E130-R213 IonicContact OE1-CZ 3.98Å; E130-R213 IonicContact OE1-NE 3.71Å; E130-R213 IonicContact OE1-NH2 3.73Å; E130-R213 PolarHBondContact OE1-NH2 3.46Å |
| 131 | M | 98.3 | Very high | 97.4 | Very high | 85 Ų | 85 | 37.1 Ų | 37.1 | 42% | 0.419 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.7 | -46.3 | 175.1 | -72.4 | -172.7 | -64.8 | 0 | 0 | 111.4 | V59 C127 C128 I133 T134 E135 | V59-M131 HydrophobicContact CG1-CB 4.03Å; C127-M131 WeakPolarHBondContact O-CB 3.5Å; C127-M131 VanDerWaalsContact O-CG 3.32Å; C127-M131 WeakPolarHBondContact O-CG 3.38Å; C127-M131 PolarHBondContact O-N 3.02Å; C128-M131 PolarHBondContact O-N 3.42Å; M131-I133 PolarHBondContact O-N 3.43Å; M131-T134 WeakPolarHBondContact O-CB 3.22Å; M131-T134 PolarHBondContact O-N 3.14Å; M131-T134 VanDerWaalsContact O-N 3.15Å; M131-E135 WeakPolarHBondContact O-CG 3.38Å; M131-E135 PolarHBondContact O-N 3.42Å |
| 132 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | -178.7 | -169 | -142.5 | 0 | 0 | 0 | 112.5 | F55 L58 V59 Y62 R87 C128 L129 E130 T134 E135 M136 M205 | F55-F132 AromaticContact CE2-CD1 3.76Å; F55-F132 HydrophobicContact CE2-CD1 3.76Å; F55-F132 HydrophobicContact CE2-CE1 4.02Å; F55-F132 HydrophobicContact CE2-CG 4.23Å; F55-F132 HydrophobicContact CZ-CB 4.02Å; F55-F132 AromaticContact CZ-CD1 3.67Å; F55-F132 HydrophobicContact CZ-CD1 3.67Å; F55-F132 HydrophobicContact CZ-CE1 4.37Å; F55-F132 HydrophobicContact CZ-CG 4.03Å; L58-F132 HydrophobicContact CD2-CE2 4.36Å; L58-F132 HydrophobicContact CD2-CZ 4.44Å; V59-F132 HydrophobicContact CG1-CB 4.31Å; V59-F132 HydrophobicContact CG2-CB 3.74Å; V59-F132 HydrophobicContact CG2-CD2 4Å; V59-F132 HydrophobicContact CG2-CG 3.95Å; Y62-F132 HydrophobicContact CD1-CD2 4.16Å; Y62-F132 AromaticContact CD1-CE2 3.98Å; Y62-F132 HydrophobicContact CD1-CE2 3.98Å; Y62-F132 HydrophobicContact CD2-CE2 4.26Å; Y62-F132 HydrophobicContact CE1-CE2 4.4Å; Y62-F132 HydrophobicContact CG-CD2 4.41Å; Y62-F132 AromaticContact CG-CE2 3.91Å; Y62-F132 HydrophobicContact CG-CE2 3.91Å; R87-F132 HydrophobicContact CG-CZ 4.37Å; C128-F132 VanDerWaalsContact O-CB 3.3Å; C128-F132 WeakPolarHBondContact O-CB 3.3Å; C128-F132 PolarHBondContact O-N 3.5Å; L129-F132 PolarHBondContact O-N 3.16Å; E130-F132 VanDerWaalsContact C-N 3.34Å; E130-F132 PolarHBondContact O-N 3.39Å; F132-T134 VanDerWaalsContact C-N 3.33Å; F132-T134 PolarHBondContact O-N 3.06Å; F132-E135 PolarHBondContact O-N 2.99Å; F132-M136 HydrophobicContact CD1-CE 3.47Å; F132-M136 VanDerWaalsContact CD1-CE 3.47Å; F132-M136 HydrophobicContact CD2-CE 4.2Å; F132-M136 HydrophobicContact CE1-CE 3.05Å; F132-M136 HydrophobicContact CE2-CE 3.84Å; F132-M136 HydrophobicContact CG-CE 4.04Å; F132-M136 HydrophobicContact CZ-CE 3.25Å; F132-M136 WeakPolarHBondContact O-CG 3.26Å; F132-M136 PolarHBondContact O-N 2.93Å; F132-M205 HydrophobicContact CD1-CG 4.39Å; F132-M205 HydrophobicContact CE1-CG 4.47Å; F132-M205 HydrophobicContact CE1-SD 4.49Å |
| 133 | I | 98.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 174.5 | -70.6 | 161.3 | 0 | 0 | 0 | 110.6 | L129 E130 M131 M136 L137 M202 M205 R206 L209 | L129-I133 HydrophobicContact CG-CD1 4.14Å; L129-I133 WeakPolarHBondContact O-CB 3.4Å; L129-I133 WeakPolarHBondContact O-CD1 3.5Å; L129-I133 VanDerWaalsContact O-CG1 3.23Å; L129-I133 WeakPolarHBondContact O-CG1 3.3Å; L129-I133 PolarHBondContact O-N 3.34Å; E130-I133 PolarHBondContact O-N 3.27Å; M131-I133 PolarHBondContact O-N 3.43Å; I133-M136 PolarHBondContact O-N 3.48Å; I133-L137 PolarHBondContact O-N 2.88Å; I133-M202 HydrophobicContact CG2-CG 3.98Å; I133-M202 HydrophobicContact CG2-SD 4.43Å; I133-M205 HydrophobicContact CD1-CB 4.08Å; I133-M205 HydrophobicContact CG1-CB 3.69Å; I133-R206 HydrophobicContact CD1-CG 3.92Å; I133-R206 HydrophobicContact CG1-CG 4.43Å; I133-R206 HydrophobicContact CG2-CG 4.04Å; I133-L209 HydrophobicContact CD1-CB 4.31Å; I133-L209 HydrophobicContact CD1-CD2 4.06Å |
| 134 | T | 98.4 | Very high | 96.9 | Very high | 68 Ų | 68 | 37.1 Ų | 37.1 | 42% | 0.417 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 177.1 | -61.2 | 0 | 0 | 0 | 0 | 112 | E130 M131 F132 L137 K138 | E130-T134 PolarHBondContact O-N 3.36Å; E130-T134 PolarHBondContact O-OG1 3.25Å; M131-T134 WeakPolarHBondContact O-CB 3.22Å; M131-T134 PolarHBondContact O-N 3.14Å; M131-T134 VanDerWaalsContact O-N 3.15Å; F132-T134 VanDerWaalsContact C-N 3.33Å; F132-T134 PolarHBondContact O-N 3.06Å; T134-L137 WeakPolarHBondContact O-CB 3.49Å; T134-L137 PolarHBondContact O-N 2.74Å; T134-K138 WeakPolarHBondContact O-CG 3.42Å; T134-K138 PolarHBondContact O-N 3.2Å |
| 135 | E | 98.4 | Very high | 96.4 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 7% | 0.065 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.6 | -35.6 | 176.7 | -63.6 | -52.7 | 134.5 | 0 | 0 | 111.9 | Y62 R63 M131 F132 L137 K138 S139 | Y62-E135 HydrophobicContact CD1-CB 3.71Å; Y62-E135 HydrophobicContact CE1-CB 3.96Å; R63-E135 HydrophobicContact CB-CG 4.09Å; R63-E135 HydrophobicContact CG-CG 4.41Å; M131-E135 WeakPolarHBondContact O-CG 3.38Å; M131-E135 PolarHBondContact O-N 3.42Å; F132-E135 PolarHBondContact O-N 2.99Å; E135-L137 PolarHBondContact O-N 3.39Å; E135-K138 PolarHBondContact O-N 2.94Å; E135-K138 IonicContact OE1-NZ 2.76Å; E135-K138 PolarHBondContact OE1-NZ 2.88Å; E135-K138 WeakPolarHBondContact OE2-CD 3.23Å; E135-K138 IonicContact OE2-NZ 2.7Å; E135-S139 WeakPolarHBondContact O-CB 3.38Å; E135-S139 PolarHBondContact O-N 3.3Å |
| 136 | M | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59 | -46.5 | 170.7 | -75.8 | -170.2 | -160.7 | 0 | 0 | 111.4 | Y62 R87 F132 I133 K138 S139 M140 I198 D201 M202 M205 | Y62-M136 HydrophobicContact CE1-CG 4.26Å; R87-M136 HydrophobicContact CG-CE 3.89Å; R87-M136 HydrophobicContact CG-CG 4.49Å; R87-M136 HydrophobicContact CG-SD 4.37Å; F132-M136 HydrophobicContact CD1-CE 3.47Å; F132-M136 VanDerWaalsContact CD1-CE 3.47Å; F132-M136 HydrophobicContact CD2-CE 4.2Å; F132-M136 HydrophobicContact CE1-CE 3.05Å; F132-M136 HydrophobicContact CE2-CE 3.84Å; F132-M136 HydrophobicContact CG-CE 4.04Å; F132-M136 HydrophobicContact CZ-CE 3.25Å; F132-M136 WeakPolarHBondContact O-CG 3.26Å; F132-M136 PolarHBondContact O-N 2.93Å; I133-M136 PolarHBondContact O-N 3.48Å; M136-K138 PolarHBondContact O-N 3.23Å; M136-S139 WeakPolarHBondContact CA-OG 3.41Å; M136-S139 PolarHBondContact O-N 3.41Å; M136-S139 PolarHBondContact O-OG 3.48Å; M136-M140 PolarHBondContact O-N 3.38Å; M136-I198 HydrophobicContact CB-CG2 3.99Å; M136-I198 WeakPolarHBondContact O-CG2 3.48Å; M136-D201 HydrophobicContact SD-CB 4.39Å; M136-M202 HydrophobicContact CB-CB 4.49Å; M136-M202 HydrophobicContact SD-CB 4.04Å; M136-M205 HydrophobicContact CE-CG 3.76Å |
| 137 | L | 98.1 | Very high | 94.5 | Very high | 69 Ų | 69 | 38.2 Ų | 38.2 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59 | -46.3 | 177.3 | 178.8 | 61.8 | 0 | 0 | 0 | 111.6 | I133 T134 E135 S139 M140 C141 M202 | I133-L137 PolarHBondContact O-N 2.88Å; T134-L137 WeakPolarHBondContact O-CB 3.49Å; T134-L137 PolarHBondContact O-N 2.74Å; E135-L137 PolarHBondContact O-N 3.39Å; L137-S139 VanDerWaalsContact C-N 3.35Å; L137-S139 PolarHBondContact O-N 3.35Å; L137-M140 HydrophobicContact CD1-CE 3.82Å; L137-M140 PolarHBondContact O-N 3.48Å; L137-C141 PolarHBondContact O-N 3.25Å; L137-C141 PolarHBondContact O-SG 3.09Å; L137-M202 HydrophobicContact CB-SD 4.11Å; L137-M202 HydrophobicContact CD1-SD 4.46Å |
| 138 | K | 97.5 | Very high | 93.1 | Very high | 94 Ų | 94 | 41.2 Ų | 41.2 | 41% | 0.409 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.3 | -45.9 | 176.1 | -70.3 | 172.3 | -176 | 170 | 0 | 111.6 | V66 T134 E135 M136 M140 C141 L142 | V66-K138 HydrophobicContact CG1-CB 3.91Å; T134-K138 WeakPolarHBondContact O-CG 3.42Å; T134-K138 PolarHBondContact O-N 3.2Å; E135-K138 PolarHBondContact O-N 2.94Å; E135-K138 IonicContact OE1-NZ 2.76Å; E135-K138 PolarHBondContact OE1-NZ 2.88Å; E135-K138 WeakPolarHBondContact OE2-CD 3.23Å; E135-K138 IonicContact OE2-NZ 2.7Å; M136-K138 PolarHBondContact O-N 3.23Å; K138-M140 VanDerWaalsContact C-N 3.32Å; K138-M140 PolarHBondContact O-N 3.46Å; K138-C141 PolarHBondContact O-N 3.49Å; K138-L142 WeakPolarHBondContact O-CG 3.46Å; K138-L142 PolarHBondContact O-N 3.11Å |
| 139 | S | 96.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 178.9 | 75.4 | 0 | 0 | 0 | 0 | 112.3 | Y62 E135 M136 L137 L142 L143 | Y62-S139 WeakPolarHBondContact OH-CB 3.31Å; Y62-S139 PolarHBondContact OH-OG 2.87Å; E135-S139 WeakPolarHBondContact O-CB 3.38Å; E135-S139 PolarHBondContact O-N 3.3Å; M136-S139 WeakPolarHBondContact CA-OG 3.41Å; M136-S139 PolarHBondContact O-N 3.41Å; M136-S139 PolarHBondContact O-OG 3.48Å; L137-S139 VanDerWaalsContact C-N 3.35Å; L137-S139 PolarHBondContact O-N 3.35Å; S139-L142 PolarHBondContact O-N 2.94Å; S139-L143 WeakPolarHBondContact O-CB 3.43Å; S139-L143 VanDerWaalsContact O-CG 3.28Å; S139-L143 WeakPolarHBondContact O-CG 3.49Å; S139-L143 PolarHBondContact O-N 3.31Å |
| 140 | M | 95.5 | Very high | 89.7 | Confident | 37 Ų | 37 | 50.3 Ų | 50.3 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 177 | -168.1 | 179.8 | 68 | 0 | 0 | 111.4 | M136 L137 K138 L143 G144 I195 I198 E199 | M136-M140 PolarHBondContact O-N 3.38Å; L137-M140 HydrophobicContact CD1-CE 3.82Å; L137-M140 PolarHBondContact O-N 3.48Å; K138-M140 VanDerWaalsContact C-N 3.32Å; K138-M140 PolarHBondContact O-N 3.46Å; M140-L143 PolarHBondContact O-N 3.39Å; M140-G144 PolarHBondContact O-N 3.01Å; M140-I195 HydrophobicContact CG-CG2 3.84Å; M140-I195 HydrophobicContact SD-CG2 4.33Å; M140-I198 HydrophobicContact CB-CG2 3.94Å; M140-I198 HydrophobicContact CG-CG2 4.43Å; M140-E199 HydrophobicContact SD-CB 4.06Å; M140-E199 HydrophobicContact SD-CG 4.42Å |
| 141 | C | 95 | Very high | 87.8 | Confident | 71 Ų | 71 | 54.7 Ų | 54.7 | 48% | 0.48 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 177.3 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | L137 K138 G144 V145 | L137-C141 PolarHBondContact O-N 3.25Å; L137-C141 PolarHBondContact O-SG 3.09Å; K138-C141 PolarHBondContact O-N 3.49Å; C141-G144 PolarHBondContact O-N 3.18Å; C141-V145 WeakPolarHBondContact O-CG2 3.43Å; C141-V145 PolarHBondContact O-N 3.19Å |
| 142 | L | 93.5 | Very high | 85.7 | Confident | 55 Ų | 55 | 53 Ų | 53 | 29% | 0.288 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 179.2 | -71.3 | 170.5 | 0 | 0 | 0 | 111.9 | V66 I69 K138 S139 G144 V145 L146 | V66-L142 HydrophobicContact CG1-CD1 3.83Å; V66-L142 WeakPolarHBondContact O-CD1 3.47Å; I69-L142 HydrophobicContact CB-CD1 4.5Å; I69-L142 HydrophobicContact CG2-CB 3.84Å; I69-L142 HydrophobicContact CG2-CD1 4.34Å; K138-L142 WeakPolarHBondContact O-CG 3.46Å; K138-L142 PolarHBondContact O-N 3.11Å; S139-L142 PolarHBondContact O-N 2.94Å; L142-G144 VanDerWaalsContact C-N 3.29Å; L142-G144 PolarHBondContact O-N 3.04Å; L142-V145 PolarHBondContact O-N 3.18Å; L142-L146 PolarHBondContact O-N 3.35Å |
| 143 | L | 91.2 | Very high | 83.5 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 174.2 | -69.2 | 175.4 | 0 | 0 | 0 | 111.5 | I69 R80 L83 S139 M140 V145 L146 Q147 V191 D194 I195 I198 | I69-L143 HydrophobicContact CG2-CD2 4.41Å; R80-L143 HydrophobicContact CG-CD2 4.07Å; L83-L143 HydrophobicContact CD2-CD1 4.43Å; S139-L143 WeakPolarHBondContact O-CB 3.43Å; S139-L143 VanDerWaalsContact O-CG 3.28Å; S139-L143 WeakPolarHBondContact O-CG 3.49Å; S139-L143 PolarHBondContact O-N 3.31Å; M140-L143 PolarHBondContact O-N 3.39Å; L143-V145 VanDerWaalsContact C-N 3.34Å; L143-V145 PolarHBondContact O-N 3.26Å; L143-L146 HydrophobicContact CD2-CD1 4.38Å; L143-L146 PolarHBondContact O-N 3.04Å; L143-Q147 WeakPolarHBondContact O-CG 3.43Å; L143-Q147 PolarHBondContact O-N 3.38Å; L143-V191 HydrophobicContact CB-CG1 4.22Å; L143-V191 HydrophobicContact CD2-CG1 4.45Å; L143-D194 HydrophobicContact CD1-CB 4.45Å; L143-I195 HydrophobicContact CB-CD1 4.23Å; L143-I195 HydrophobicContact CB-CG1 4.04Å; L143-I198 HydrophobicContact CD1-CD1 3.6Å |
| 144 | G | 90.1 | Very high | 81.1 | Confident | 21 Ų | 21 | 65.7 Ų | 65.7 | 22% | 0.216 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61 | -40.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | M140 C141 L142 Q147 L148 | M140-G144 PolarHBondContact O-N 3.01Å; C141-G144 PolarHBondContact O-N 3.18Å; L142-G144 VanDerWaalsContact C-N 3.29Å; L142-G144 PolarHBondContact O-N 3.04Å; G144-Q147 WeakPolarHBondContact O-CB 3.4Å; G144-Q147 PolarHBondContact O-N 3.02Å; G144-L148 WeakPolarHBondContact O-CG 3.2Å; G144-L148 PolarHBondContact O-N 2.91Å |
| 145 | V | 87.1 | Confident | 78.3 | Confident | 71 Ų | 71 | 66.9 Ų | 66.9 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 175.4 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | C141 L142 L143 Q147 L148 H149 | C141-V145 WeakPolarHBondContact O-CG2 3.43Å; C141-V145 PolarHBondContact O-N 3.19Å; L142-V145 PolarHBondContact O-N 3.18Å; L143-V145 VanDerWaalsContact C-N 3.34Å; L143-V145 PolarHBondContact O-N 3.26Å; V145-Q147 VanDerWaalsContact C-N 3.29Å; V145-Q147 PolarHBondContact O-N 2.98Å; V145-L148 PolarHBondContact O-N 3.16Å; V145-L148 VanDerWaalsContact O-N 3.13Å; V145-H149 VanDerWaalsContact CG1-CD2 3.49Å; V145-H149 WeakPolarHBondContact CG1-CD2 3.45Å; V145-H149 PolarHBondContact O-CD2 2.84Å; V145-H149 PolarHBondContact O-N 2.94Å |
| 146 | L | 78.7 | Confident | 75.5 | Confident | 30 Ų | 30 | 76 Ų | 76 | 16% | 0.157 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 174.9 | -69.5 | 173.9 | 0 | 0 | 0 | 112 | I69 L142 L143 R150 | I69-L146 HydrophobicContact CG2-CD1 4.01Å; L142-L146 PolarHBondContact O-N 3.35Å; L143-L146 HydrophobicContact CD2-CD1 4.38Å; L143-L146 PolarHBondContact O-N 3.04Å; L146-R150 PolarHBondContact O-N 3.38Å |
| 147 | Q | 77.3 | Confident | 72.8 | Confident | 48 Ų | 48 | 81.3 Ų | 81.3 | 22% | 0.224 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 172.7 | -68.8 | -170.8 | 4.5 | 0 | 0 | 112.8 | L143 G144 V145 R150 K151 V191 C192 I195 | L143-Q147 WeakPolarHBondContact O-CG 3.43Å; L143-Q147 PolarHBondContact O-N 3.38Å; G144-Q147 WeakPolarHBondContact O-CB 3.4Å; G144-Q147 PolarHBondContact O-N 3.02Å; V145-Q147 VanDerWaalsContact C-N 3.29Å; V145-Q147 PolarHBondContact O-N 2.98Å; Q147-R150 WeakPolarHBondContact O-CB 3.47Å; Q147-R150 PolarHBondContact O-N 3.35Å; Q147-K151 PolarHBondContact O-N 3.46Å; Q147-K151 VanDerWaalsContact O-N 3.12Å; Q147-V191 HydrophobicContact CG-CB 4.03Å; Q147-V191 HydrophobicContact CG-CG1 3.6Å; Q147-V191 VanDerWaalsContact NE2-CG1 3.25Å; Q147-V191 PolarHBondContact NE2-O 3.38Å; Q147-C192 PolarHBondContact NE2-SG 2.95Å; Q147-C192 VanDerWaalsContact NE2-SG 3.41Å; Q147-I195 HydrophobicContact CG-CD1 4.5Å; Q147-I195 VanDerWaalsContact NE2-CD1 3.27Å |
| 148 | L | 68.9 | Low | 69.9 | Low | 120 Ų | 120 | 86.5 Ų | 86.5 | 63% | 0.628 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68.7 | -43 | -178 | -70.9 | 172.8 | 0 | 0 | 0 | 112.5 | G144 V145 R150 K151 G152 | G144-L148 WeakPolarHBondContact O-CG 3.2Å; G144-L148 PolarHBondContact O-N 2.91Å; V145-L148 PolarHBondContact O-N 3.16Å; V145-L148 VanDerWaalsContact O-N 3.13Å; L148-R150 PolarHBondContact O-N 2.93Å; L148-K151 PolarHBondContact O-N 3.31Å; L148-K151 VanDerWaalsContact O-N 3.17Å; L148-G152 PolarHBondContact O-N 3.07Å |
| 149 | H | 64.5 | Low | 67.1 | Low | 140 Ų | 140 | 86.8 Ų | 86.8 | 65% | 0.648 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.4 | -34.1 | 175.2 | -82.6 | -73.5 | 0 | 0 | 0 | 112.1 | V145 K153 | V145-H149 VanDerWaalsContact CG1-CD2 3.49Å; V145-H149 WeakPolarHBondContact CG1-CD2 3.45Å; V145-H149 PolarHBondContact O-CD2 2.84Å; V145-H149 PolarHBondContact O-N 2.94Å; H149-K153 PolarHBondContact O-N 3.14Å |
| 150 | R | 59.2 | Low | 64.5 | Low | 55 Ų | 55 | 98.5 Ų | 98.5 | 21% | 0.208 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 174.1 | -156.1 | -169.6 | 177.2 | 148.2 | 7 | 111.2 | L146 Q147 L148 G152 Y184 E187 | L146-R150 PolarHBondContact O-N 3.38Å; Q147-R150 WeakPolarHBondContact O-CB 3.47Å; Q147-R150 PolarHBondContact O-N 3.35Å; L148-R150 PolarHBondContact O-N 2.93Å; R150-G152 PolarHBondContact O-N 3.32Å; R150-Y184 HydrophobicContact CG-CE2 4.11Å; R150-Y184 WeakPolarHBondContact CG-OH 3.36Å; R150-E187 IonicContact CZ-OE2 3.14Å; R150-E187 VanDerWaalsContact NH1-CB 3.29Å; R150-E187 IonicContact NH1-OE2 3.35Å; R150-E187 PolarHBondContact NH1-OE2 2.66Å; R150-E187 IonicContact NH2-OE2 2.86Å; R150-E187 PolarHBondContact NH2-OE2 3.41Å |
| 151 | K | 58.3 | Low | 61.8 | Low | 156 Ų | 156 | 103.6 Ų | 103.6 | 68% | 0.678 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.8 | -31.3 | 178.9 | -166.6 | 174.4 | -179.3 | 179.7 | 0 | 113.9 | Q147 L148 | Q147-K151 PolarHBondContact O-N 3.46Å; Q147-K151 VanDerWaalsContact O-N 3.12Å; L148-K151 PolarHBondContact O-N 3.31Å; L148-K151 VanDerWaalsContact O-N 3.17Å |
| 152 | G | 55 | Low | 59 | Low | 49 Ų | 49 | 108 Ų | 108 | 51% | 0.505 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -74.8 | -25.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L148 R150 D154 | L148-G152 PolarHBondContact O-N 3.07Å; R150-G152 PolarHBondContact O-N 3.32Å; G152-D154 PolarHBondContact O-N 3.28Å |
| 153 | K | 52.6 | Low | 56.2 | Low | 178 Ų | 178 | 114.8 Ų | 114.8 | 77% | 0.774 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -17.3 | 178.8 | -151.2 | 174.9 | -178.2 | -175.2 | 0 | 113.1 | H149 | H149-K153 PolarHBondContact O-N 3.14Š|
| 154 | D | 48.5 | Very low | 53.6 | Low | 101 Ų | 101 | 124.4 Ų | 124.4 | 54% | 0.54 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.4 | 4.8 | -178.9 | -63.9 | -31.2 | 0 | 0 | 0 | 114.1 | G152 Y184 | G152-D154 PolarHBondContact O-N 3.28Å; D154-Y184 VanDerWaalsContact OD2-CZ 3.26Å; D154-Y184 PolarHBondContact OD2-OH 2.93Å |
| 155 | S | 40.1 | Very low | 51.4 | Low | 94 Ų | 94 | 132.7 Ų | 132.7 | 66% | 0.657 | 65% | 0.653 | S | S | * | * | trans | -92.1 | 16.7 | 179.5 | -64.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 156 | Y | 39.1 | Very low | 48.9 | Very low | 206 Ų | 206 | 136.8 Ų | 136.8 | 81% | 0.808 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -75.6 | 124.7 | 167.8 | -96.4 | -89.9 | 0 | 0 | 0 | 109.4 | E158 | Y156-E158 PolarHBondContact O-N 3.11Š|
| 157 | P | 41.5 | Very low | 47.2 | Very low | 110 Ų | 110 | 144 Ų | 144 | 71% | 0.714 | 71% | 0.706 | S | S | * | * | trans | -65.3 | 122.4 | 170.6 | 27.1 | -29.1 | 0 | 0 | 0 | 107.7 | ||||
| 158 | E | 37.3 | Very low | 45.3 | Very low | 179 Ų | 179 | 147.2 Ų | 147.2 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | trans | -43.5 | 121 | 166.8 | -166.9 | 178.6 | -158.7 | 0 | 0 | 108.9 | Y156 R160 | Y156-E158 PolarHBondContact O-N 3.11Å; E158-R160 PolarHBondContact O-N 2.73Å | ||
| 159 | P | 39.2 | Very low | 44.2 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | trans | -62.6 | 117.1 | 169.1 | -8.2 | 22.1 | 0 | 0 | 0 | 105.5 | L161 | P159-L161 VanDerWaalsContact C-N 3.29Å; P159-L161 PolarHBondContact O-N 3.39Å | ||
| 160 | R | 42.1 | Very low | 43.3 | Very low | 246 Ų | 246 | 146.1 Ų | 146.1 | 93% | 0.928 | 74% | 0.74 | S | S | * | * | trans | -56.1 | 98.4 | 169.6 | -67.3 | -171.5 | -171.9 | -174.2 | 3.1 | 107.8 | E158 D162 | E158-R160 PolarHBondContact O-N 2.73Å; R160-D162 PolarHBondContact O-N 3.03Å; R160-D162 VanDerWaalsContact O-N 3.16Å | ||
| 161 | L | 39.7 | Very low | 42.3 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | -79.3 | 91.6 | 171.4 | -76.6 | 166.1 | 0 | 0 | 0 | 106.9 | P159 F163 | P159-L161 VanDerWaalsContact C-N 3.29Å; P159-L161 PolarHBondContact O-N 3.39Å; L161-F163 PolarHBondContact O-N 3.48Å; L161-F163 VanDerWaalsContact O-N 3.13Å | ||
| 162 | D | 35.4 | Very low | 41.6 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | -62.7 | 107.5 | 160.6 | -107.9 | -30.3 | 0 | 0 | 0 | 107.4 | R160 K164 | R160-D162 PolarHBondContact O-N 3.03Å; R160-D162 VanDerWaalsContact O-N 3.16Å; D162-K164 PolarHBondContact O-N 3.24Å; D162-K164 VanDerWaalsContact O-N 3.08Å | ||
| 163 | F | 33.5 | Very low | 41.1 | Very low | 198 Ų | 198 | 152 Ų | 152 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | trans | -63.7 | 108 | 174.9 | -91.1 | -96.3 | 0 | 0 | 0 | 109.8 | L161 | L161-F163 PolarHBondContact O-N 3.48Å; L161-F163 VanDerWaalsContact O-N 3.13Å | ||
| 164 | K | 37.2 | Very low | 40.9 | Very low | 204 Ų | 204 | 150.6 Ų | 150.6 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -113 | 121.4 | 142.8 | -89.4 | -159 | 172.2 | -174.1 | 0 | 109.2 | D162 D166 | D162-K164 PolarHBondContact O-N 3.24Å; D162-K164 VanDerWaalsContact O-N 3.08Å; K164-D166 PolarHBondContact O-N 3.13Å | ||
| 165 | M | 45.2 | Very low | 40.8 | Very low | 194 Ų | 194 | 154.5 Ų | 154.5 | 96% | 0.956 | 80% | 0.796 | S | S | * | * | trans | -54.4 | 122.7 | 173.3 | -174.2 | 157.9 | 113.4 | 0 | 0 | 110.8 | ||||
| 166 | D | 32.6 | Very low | 41.1 | Very low | 157 Ų | 157 | 158.4 Ų | 158.4 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -153.9 | 145.1 | 148.5 | -155.5 | 16.4 | 0 | 0 | 0 | 111.1 | K164 | K164-D166 PolarHBondContact O-N 3.13Š| ||
| 167 | E | 45 | Very low | 41.7 | Very low | 182 Ų | 182 | 159.2 Ų | 159.2 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -77.9 | 131.6 | -168.7 | -171.8 | -174.3 | 128.2 | 0 | 0 | 111.3 | ||||
| 168 | S | 35.7 | Very low | 41.8 | Very low | 116 Ų | 116 | 160.3 Ų | 160.3 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | 164.5 | 116.7 | 146.1 | -173.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 169 | S | 46.8 | Very low | 42.2 | Very low | 92 Ų | 92 | 155.7 Ų | 155.7 | 64% | 0.643 | 80% | 0.803 | S | S | * | * | trans | 61.5 | 124 | 136.5 | -141.2 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 170 | D | 44.6 | Very low | 42.5 | Very low | 144 Ų | 144 | 153 Ų | 153 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 56.3 | 105.7 | 136.7 | -66.1 | -27.4 | 0 | 0 | 0 | 121.9 | ||||
| 171 | V | 38.5 | Very low | 43.2 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | 159.4 | 122 | 100.3 | 178.9 | 0 | 0 | 0 | 0 | 106.7 | I173 | V171-I173 PolarHBondContact O-N 3.42Š| |||
| 172 | P | 43.8 | Very low | 44.1 | Very low | 121 Ų | 121 | 145 Ų | 145 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -81.8 | 102.3 | 170 | 31.3 | -26.9 | 0 | 0 | 0 | 109 | L174 | P172-L174 PolarHBondContact O-N 3.16Å; P172-L174 VanDerWaalsContact O-N 3.16Å | ||
| 173 | I | 45.5 | Very low | 45.2 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | -70.2 | 105 | 155 | -68.2 | 175.4 | 0 | 0 | 0 | 105.5 | V171 E175 | V171-I173 PolarHBondContact O-N 3.42Å; I173-E175 VanDerWaalsContact C-N 3.3Å; I173-E175 HydrophobicContact CG2-CG 4.39Å; I173-E175 PolarHBondContact O-N 3.43Å | ||
| 174 | L | 46.8 | Very low | 46.2 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | -60 | 91 | 169.1 | -104.1 | 162 | 0 | 0 | 0 | 108.9 | P172 E176 | P172-L174 PolarHBondContact O-N 3.16Å; P172-L174 VanDerWaalsContact O-N 3.16Å; L174-E176 VanDerWaalsContact C-N 3.27Å; L174-E176 PolarHBondContact O-N 3.14Å | ||
| 175 | E | 46.3 | Very low | 47.3 | Very low | 183 Ų | 183 | 133 Ų | 133 | 86% | 0.855 | 72% | 0.718 | S | S | * | * | trans | -80.4 | 87.1 | 155.5 | -75.6 | -171.6 | 145 | 0 | 0 | 107.7 | I173 R177 | I173-E175 VanDerWaalsContact C-N 3.3Å; I173-E175 HydrophobicContact CG2-CG 4.39Å; I173-E175 PolarHBondContact O-N 3.43Å; E175-R177 VanDerWaalsContact C-N 3.25Å; E175-R177 PolarHBondContact O-N 3.35Å | ||
| 176 | E | 47.2 | Very low | 48.3 | Very low | 177 Ų | 177 | 129 Ų | 129 | 83% | 0.827 | 70% | 0.697 | S | S | * | * | trans | -71.8 | 77.1 | 178.3 | -155 | 177.3 | -159.9 | 0 | 0 | 110 | L174 | L174-E176 VanDerWaalsContact C-N 3.27Å; L174-E176 PolarHBondContact O-N 3.14Å | ||
| 177 | R | 51.6 | Low | 49.9 | Very low | 223 Ų | 223 | 125.1 Ų | 125.1 | 84% | 0.842 | 67% | 0.673 | S | S | * | * | trans | -150.3 | 68.5 | 159.8 | -124.9 | 174.6 | -177 | 176.4 | -0.8 | 111 | E175 S179 | E175-R177 VanDerWaalsContact C-N 3.25Å; E175-R177 PolarHBondContact O-N 3.35Å; R177-S179 PolarHBondContact O-N 3.38Å | ||
| 178 | S | 43.6 | Very low | 51.1 | Low | 132 Ų | 132 | 118.5 Ų | 118.5 | 92% | 0.923 | 65% | 0.647 | S | S | * | * | trans | -70 | 81.5 | 163.5 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 179 | S | 46.1 | Very low | 52.9 | Low | 82 Ų | 82 | 120.7 Ų | 120.7 | 57% | 0.573 | 64% | 0.638 | S | S | * | * | trans | -94.5 | 122.8 | 161.6 | 29.5 | 0 | 0 | 0 | 0 | 107.9 | R177 | R177-S179 PolarHBondContact O-N 3.38Š| ||
| 180 | S | 46.3 | Very low | 54.6 | Low | 43 Ų | 43 | 119.2 Ų | 119.2 | 30% | 0.301 | 62% | 0.623 | S | S | . | * | trans | -67.6 | 153.1 | -179.8 | 85.5 | 0 | 0 | 0 | 0 | 110.5 | V182 D183 Y184 | S180-V182 PolarHBondContact O-N 3.24Å; S180-V182 PolarHBondContact OG-N 2.96Å; S180-D183 WeakPolarHBondContact CB-OD2 3.45Å; S180-D183 PolarHBondContact O-N 3.14Å; S180-D183 VanDerWaalsContact O-N 3.16Å; S180-D183 PolarHBondContact OG-N 2.86Å; S180-D183 PolarHBondContact OG-OD2 3.04Å; S180-Y184 PolarHBondContact O-N 3.06Å | ||
| 181 | P | 56.6 | Low | 56.6 | Low | 113 Ų | 113 | 112.7 Ų | 112.7 | 73% | 0.734 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -56.5 | -22.4 | 177.7 | -24.7 | 33.5 | 0 | 0 | 0 | 114.1 | ||
| 182 | V | 57.7 | Low | 58.9 | Low | 111 Ų | 111 | 109.3 Ų | 109.3 | 67% | 0.673 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -78.6 | -41.3 | -179.1 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | S180 Y184 Q185 H186 | S180-V182 PolarHBondContact O-N 3.24Å; S180-V182 PolarHBondContact OG-N 2.96Å; V182-Y184 PolarHBondContact O-N 2.78Å; V182-Q185 PolarHBondContact O-N 3.2Å; V182-H186 PolarHBondContact O-N 2.78Å |
| 183 | D | 57.8 | Low | 61.2 | Low | 88 Ų | 88 | 105.4 Ų | 105.4 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.7 | -33.9 | 178 | -59.2 | -52.4 | 0 | 0 | 0 | 111.2 | S180 H186 E187 | S180-D183 WeakPolarHBondContact CB-OD2 3.45Å; S180-D183 PolarHBondContact O-N 3.14Å; S180-D183 VanDerWaalsContact O-N 3.16Å; S180-D183 PolarHBondContact OG-N 2.86Å; S180-D183 PolarHBondContact OG-OD2 3.04Å; D183-H186 PolarHBondContact O-N 3.4Å; D183-E187 PolarHBondContact O-N 3.49Å; D183-E187 VanDerWaalsContact O-N 3.14Å |
| 184 | Y | 55.8 | Low | 63.4 | Low | 75 Ų | 75 | 99.5 Ų | 99.5 | 29% | 0.294 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 177.6 | -175.7 | -88.6 | 0 | 0 | 0 | 113.3 | R150 D154 S180 V182 S188 | R150-Y184 HydrophobicContact CG-CE2 4.11Å; R150-Y184 WeakPolarHBondContact CG-OH 3.36Å; D154-Y184 VanDerWaalsContact OD2-CZ 3.26Å; D154-Y184 PolarHBondContact OD2-OH 2.93Å; S180-Y184 PolarHBondContact O-N 3.06Å; V182-Y184 PolarHBondContact O-N 2.78Å; Y184-S188 PolarHBondContact O-N 3.17Å |
| 185 | Q | 60.4 | Low | 65.7 | Low | 149 Ų | 149 | 94 Ų | 94 | 70% | 0.696 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -70.8 | -35.4 | 177.8 | -68.8 | -149.7 | -22.3 | 0 | 0 | 112.2 | V182 W189 | V182-Q185 PolarHBondContact O-N 3.2Å; Q185-W189 WeakPolarHBondContact O-CB 3.43Å; Q185-W189 PolarHBondContact O-N 2.95Å; Q185-W189 VanDerWaalsContact O-N 3.11Å |
| 186 | H | 66.1 | Low | 68.1 | Low | 110 Ų | 110 | 91.2 Ų | 91.2 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 178.9 | -168.1 | 64.5 | 0 | 0 | 0 | 111.8 | V182 D183 W189 L190 | V182-H186 PolarHBondContact O-N 2.78Å; D183-H186 PolarHBondContact O-N 3.4Å; H186-W189 PolarHBondContact O-N 3.36Å; H186-L190 VanDerWaalsContact O-CG 3.3Å; H186-L190 WeakPolarHBondContact O-CG 3.47Å; H186-L190 PolarHBondContact O-N 3.38Å |
| 187 | E | 66.3 | Low | 70.5 | Confident | 75 Ų | 75 | 84.3 Ų | 84.3 | 35% | 0.35 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 178.8 | -73.3 | 179.9 | 165.2 | 0 | 0 | 113.3 | R150 D183 W189 L190 V191 | R150-E187 IonicContact CZ-OE2 3.14Å; R150-E187 VanDerWaalsContact NH1-CB 3.29Å; R150-E187 IonicContact NH1-OE2 3.35Å; R150-E187 PolarHBondContact NH1-OE2 2.66Å; R150-E187 IonicContact NH2-OE2 2.86Å; R150-E187 PolarHBondContact NH2-OE2 3.41Å; D183-E187 PolarHBondContact O-N 3.49Å; D183-E187 VanDerWaalsContact O-N 3.14Å; E187-W189 VanDerWaalsContact C-N 3.33Å; E187-W189 PolarHBondContact O-N 2.84Å; E187-L190 PolarHBondContact O-N 3.35Å; E187-V191 WeakPolarHBondContact O-CG2 3.32Å; E187-V191 PolarHBondContact O-N 2.88Å |
| 188 | S | 68.8 | Low | 72.7 | Confident | 43 Ų | 43 | 73.7 Ų | 73.7 | 30% | 0.301 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 176.7 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | Y184 L190 V191 C192 | Y184-S188 PolarHBondContact O-N 3.17Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.49Å; S188-V191 PolarHBondContact O-N 3.47Å; S188-C192 PolarHBondContact O-N 3.15Å |
| 189 | W | 74.6 | Confident | 75.2 | Confident | 162 Ų | 162 | 71.2 Ų | 71.2 | 61% | 0.614 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.9 | -41 | 175.9 | -174.6 | 79.5 | 0 | 0 | 0 | 112.2 | Q185 H186 E187 V191 C192 T193 | Q185-W189 WeakPolarHBondContact O-CB 3.43Å; Q185-W189 PolarHBondContact O-N 2.95Å; Q185-W189 VanDerWaalsContact O-N 3.11Å; H186-W189 PolarHBondContact O-N 3.36Å; E187-W189 VanDerWaalsContact C-N 3.33Å; E187-W189 PolarHBondContact O-N 2.84Å; W189-V191 PolarHBondContact O-N 3.42Å; W189-C192 WeakPolarHBondContact O-CB 3.33Å; W189-C192 PolarHBondContact O-N 3Å; W189-T193 PolarHBondContact O-N 2.87Å; W189-T193 PolarHBondContact O-OG1 3.31Å |
| 190 | L | 83.1 | Confident | 77.7 | Confident | 62 Ų | 62 | 72.2 Ų | 72.2 | 33% | 0.325 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 176.7 | -68.9 | 171.5 | 0 | 0 | 0 | 112.7 | H186 E187 S188 C192 T193 D194 | H186-L190 VanDerWaalsContact O-CG 3.3Å; H186-L190 WeakPolarHBondContact O-CG 3.47Å; H186-L190 PolarHBondContact O-N 3.38Å; E187-L190 PolarHBondContact O-N 3.35Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.49Å; L190-C192 VanDerWaalsContact C-N 3.34Å; L190-T193 PolarHBondContact O-N 2.93Å; L190-D194 PolarHBondContact O-N 3.31Å |
| 191 | V | 85.6 | Confident | 80.2 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.4 | -36.7 | 176.6 | -169.9 | 0 | 0 | 0 | 0 | 110.8 | L143 Q147 E187 S188 W189 D194 I195 | L143-V191 HydrophobicContact CB-CG1 4.22Å; L143-V191 HydrophobicContact CD2-CG1 4.45Å; Q147-V191 HydrophobicContact CG-CB 4.03Å; Q147-V191 HydrophobicContact CG-CG1 3.6Å; Q147-V191 VanDerWaalsContact NE2-CG1 3.25Å; Q147-V191 PolarHBondContact NE2-O 3.38Å; E187-V191 WeakPolarHBondContact O-CG2 3.32Å; E187-V191 PolarHBondContact O-N 2.88Å; S188-V191 PolarHBondContact O-N 3.47Å; W189-V191 PolarHBondContact O-N 3.42Å; V191-D194 WeakPolarHBondContact O-CB 3.49Å; V191-D194 PolarHBondContact O-N 3.45Å; V191-I195 WeakPolarHBondContact O-CG1 3.28Å; V191-I195 PolarHBondContact O-N 3.44Å |
| 192 | C | 87.4 | Confident | 82.2 | Confident | 46 Ų | 46 | 65.7 Ų | 65.7 | 31% | 0.311 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 175 | -70.9 | 0 | 0 | 0 | 0 | 111.3 | Q147 S188 W189 L190 D194 I195 E196 | Q147-C192 PolarHBondContact NE2-SG 2.95Å; Q147-C192 VanDerWaalsContact NE2-SG 3.41Å; S188-C192 PolarHBondContact O-N 3.15Å; W189-C192 WeakPolarHBondContact O-CB 3.33Å; W189-C192 PolarHBondContact O-N 3Å; L190-C192 VanDerWaalsContact C-N 3.34Å; C192-D194 VanDerWaalsContact C-N 3.29Å; C192-D194 PolarHBondContact O-N 3.03Å; C192-I195 PolarHBondContact O-N 2.99Å; C192-E196 WeakPolarHBondContact O-CG 3.49Å; C192-E196 PolarHBondContact O-N 3.41Å |
| 193 | T | 91.1 | Very high | 84.1 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 24% | 0.239 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.4 | -38.7 | 174.9 | -58.2 | 0 | 0 | 0 | 0 | 112 | W189 L190 N197 | W189-T193 PolarHBondContact O-N 2.87Å; W189-T193 PolarHBondContact O-OG1 3.31Å; L190-T193 PolarHBondContact O-N 2.93Å; T193-N197 WeakPolarHBondContact CG2-ND2 3.49Å; T193-N197 WeakPolarHBondContact O-CB 3.45Å; T193-N197 VanDerWaalsContact O-CG 3.3Å; T193-N197 PolarHBondContact O-N 3.31Å; T193-N197 PolarHBondContact O-ND2 3.23Å |
| 194 | D | 93 | Very high | 86.1 | Confident | 23 Ų | 23 | 66 Ų | 66 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 174.8 | -76 | -33.9 | 0 | 0 | 0 | 111.9 | R80 L143 L190 V191 C192 N197 I198 | R80-D194 IonicContact CZ-OD2 2.78Å; R80-D194 IonicContact NH1-OD2 3.2Å; R80-D194 PolarHBondContact NH1-OD2 3.04Å; L143-D194 HydrophobicContact CD1-CB 4.45Å; L190-D194 PolarHBondContact O-N 3.31Å; V191-D194 WeakPolarHBondContact O-CB 3.49Å; V191-D194 PolarHBondContact O-N 3.45Å; C192-D194 VanDerWaalsContact C-N 3.29Å; C192-D194 PolarHBondContact O-N 3.03Å; D194-N197 PolarHBondContact O-N 3.3Å; D194-I198 WeakPolarHBondContact O-CD1 3.46Å; D194-I198 WeakPolarHBondContact O-CG1 3.32Å; D194-I198 PolarHBondContact O-N 3.15Å |
| 195 | I | 95 | Very high | 88.1 | Confident | 31 Ų | 31 | 62.5 Ų | 62.5 | 16% | 0.159 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -49.2 | 177.6 | -71.3 | 177.5 | 0 | 0 | 0 | 111.2 | M140 L143 Q147 V191 C192 N197 I198 E199 | M140-I195 HydrophobicContact CG-CG2 3.84Å; M140-I195 HydrophobicContact SD-CG2 4.33Å; L143-I195 HydrophobicContact CB-CD1 4.23Å; L143-I195 HydrophobicContact CB-CG1 4.04Å; Q147-I195 HydrophobicContact CG-CD1 4.5Å; Q147-I195 VanDerWaalsContact NE2-CD1 3.27Å; V191-I195 WeakPolarHBondContact O-CG1 3.28Å; V191-I195 PolarHBondContact O-N 3.44Å; C192-I195 PolarHBondContact O-N 2.99Å; I195-N197 VanDerWaalsContact C-N 3.3Å; I195-N197 PolarHBondContact O-N 3.14Å; I195-I198 PolarHBondContact O-N 2.7Å; I195-I198 VanDerWaalsContact O-N 3.16Å; I195-E199 PolarHBondContact O-N 3.17Å |
| 196 | E | 95.6 | Very high | 89.9 | Confident | 124 Ų | 124 | 60.9 Ų | 60.9 | 58% | 0.579 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.2 | -40.9 | 178.8 | -70.8 | 174.2 | 173.9 | 0 | 0 | 111.9 | C192 E199 R200 | C192-E196 WeakPolarHBondContact O-CG 3.49Å; C192-E196 PolarHBondContact O-N 3.41Å; E196-E199 PolarHBondContact O-N 3.15Å; E196-R200 PolarHBondContact O-N 2.89Å |
| 197 | N | 97 | Very high | 91.4 | Very high | 33 Ų | 33 | 60.3 Ų | 60.3 | 18% | 0.176 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 175.6 | -76.8 | -51 | 0 | 0 | 0 | 111.9 | T193 D194 I195 E199 R200 D201 | T193-N197 WeakPolarHBondContact CG2-ND2 3.49Å; T193-N197 WeakPolarHBondContact O-CB 3.45Å; T193-N197 VanDerWaalsContact O-CG 3.3Å; T193-N197 PolarHBondContact O-N 3.31Å; T193-N197 PolarHBondContact O-ND2 3.23Å; D194-N197 PolarHBondContact O-N 3.3Å; I195-N197 VanDerWaalsContact C-N 3.3Å; I195-N197 PolarHBondContact O-N 3.14Å; N197-E199 VanDerWaalsContact C-N 3.3Å; N197-E199 PolarHBondContact O-N 2.95Å; N197-R200 PolarHBondContact O-N 3.29Å; N197-R200 PolarHBondContact OD1-NH1 3.25Å; N197-R200 VanDerWaalsContact OD1-NH1 3.15Å; N197-R200 PolarHBondContact OD1-NH2 3.45Å; N197-D201 WeakPolarHBondContact O-CB 3.39Å; N197-D201 PolarHBondContact O-N 3.3Å |
| 198 | I | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 175.2 | -65.5 | 161.6 | 0 | 0 | 0 | 110.2 | M136 M140 L143 D194 I195 D201 M202 | M136-I198 HydrophobicContact CB-CG2 3.99Å; M136-I198 WeakPolarHBondContact O-CG2 3.48Å; M140-I198 HydrophobicContact CB-CG2 3.94Å; M140-I198 HydrophobicContact CG-CG2 4.43Å; L143-I198 HydrophobicContact CD1-CD1 3.6Å; D194-I198 WeakPolarHBondContact O-CD1 3.46Å; D194-I198 WeakPolarHBondContact O-CG1 3.32Å; D194-I198 PolarHBondContact O-N 3.15Å; I195-I198 PolarHBondContact O-N 2.7Å; I195-I198 VanDerWaalsContact O-N 3.16Å; I198-D201 PolarHBondContact O-N 3.01Å; I198-M202 WeakPolarHBondContact O-CB 3.49Å; I198-M202 PolarHBondContact O-N 3.44Å |
| 199 | E | 97.7 | Very high | 94.3 | Very high | 79 Ų | 79 | 56.3 Ų | 56.3 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 179.6 | -165.3 | -165.8 | 154.7 | 0 | 0 | 111.9 | M140 I195 E196 N197 M202 R203 | M140-E199 HydrophobicContact SD-CB 4.06Å; M140-E199 HydrophobicContact SD-CG 4.42Å; I195-E199 PolarHBondContact O-N 3.17Å; E196-E199 PolarHBondContact O-N 3.15Å; N197-E199 VanDerWaalsContact C-N 3.3Å; N197-E199 PolarHBondContact O-N 2.95Å; E199-M202 PolarHBondContact O-N 3.48Å; E199-R203 PolarHBondContact O-N 2.9Å; E199-R203 IonicContact OE1-CZ 3.92Å; E199-R203 IonicContact OE1-NH1 3.97Å; E199-R203 PolarHBondContact OE1-NH1 3.17Å |
| 200 | R | 98.3 | Very high | 95.4 | Very high | 104 Ų | 104 | 51.5 Ų | 51.5 | 39% | 0.392 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.3 | -53.7 | 175.1 | -178.2 | -165.1 | 65.1 | -142.2 | -10.1 | 110.9 | E196 N197 M202 R203 E204 | E196-R200 PolarHBondContact O-N 2.89Å; N197-R200 PolarHBondContact O-N 3.29Å; N197-R200 PolarHBondContact OD1-NH1 3.25Å; N197-R200 VanDerWaalsContact OD1-NH1 3.15Å; N197-R200 PolarHBondContact OD1-NH2 3.45Å; R200-M202 VanDerWaalsContact C-N 3.25Å; R200-M202 PolarHBondContact O-N 3.18Å; R200-R203 WeakPolarHBondContact O-CB 3.27Å; R200-R203 PolarHBondContact O-N 3.48Å; R200-R203 VanDerWaalsContact O-N 3.08Å; R200-E204 IonicContact NE-OE1 3.89Å; R200-E204 PolarHBondContact O-N 2.96Å |
| 201 | D | 98.5 | Very high | 96 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.7 | -37.8 | -176.6 | -64.4 | -7.2 | 0 | 0 | 0 | 110.3 | R87 M136 N197 I198 E204 M205 | R87-D201 IonicContact CZ-OD2 3.44Å; R87-D201 IonicContact NE-OD2 2.78Å; R87-D201 PolarHBondContact NE-OD2 3.3Å; R87-D201 IonicContact NH2-OD2 2.73Å; R87-D201 PolarHBondContact NH2-OD2 3.02Å; M136-D201 HydrophobicContact SD-CB 4.39Å; N197-D201 WeakPolarHBondContact O-CB 3.39Å; N197-D201 PolarHBondContact O-N 3.3Å; I198-D201 PolarHBondContact O-N 3.01Å; D201-E204 PolarHBondContact O-N 2.91Å; D201-M205 VanDerWaalsContact O-CG 3.3Å; D201-M205 WeakPolarHBondContact O-CG 3.46Å; D201-M205 PolarHBondContact O-N 3.31Å |
| 202 | M | 98.4 | Very high | 96.4 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 174.7 | -175 | -177 | 57.7 | 0 | 0 | 112.2 | I133 M136 L137 I198 E199 R200 E204 M205 R206 | I133-M202 HydrophobicContact CG2-CG 3.98Å; I133-M202 HydrophobicContact CG2-SD 4.43Å; M136-M202 HydrophobicContact CB-CB 4.49Å; M136-M202 HydrophobicContact SD-CB 4.04Å; L137-M202 HydrophobicContact CB-SD 4.11Å; L137-M202 HydrophobicContact CD1-SD 4.46Å; I198-M202 WeakPolarHBondContact O-CB 3.49Å; I198-M202 PolarHBondContact O-N 3.44Å; E199-M202 PolarHBondContact O-N 3.48Å; R200-M202 VanDerWaalsContact C-N 3.25Å; R200-M202 PolarHBondContact O-N 3.18Å; M202-E204 VanDerWaalsContact C-N 3.33Å; M202-M205 PolarHBondContact O-N 3.23Å; M202-R206 WeakPolarHBondContact O-CG 3.35Å; M202-R206 PolarHBondContact O-N 3.42Å |
| 203 | R | 98.5 | Very high | 96.7 | Very high | 126 Ų | 126 | 57.5 Ų | 57.5 | 48% | 0.475 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 173.7 | -75.7 | -164.8 | -67.2 | -104.3 | -0.7 | 111.2 | E199 R200 M205 R206 N207 | E199-R203 PolarHBondContact O-N 2.9Å; E199-R203 IonicContact OE1-CZ 3.92Å; E199-R203 IonicContact OE1-NH1 3.97Å; E199-R203 PolarHBondContact OE1-NH1 3.17Å; R200-R203 WeakPolarHBondContact O-CB 3.27Å; R200-R203 PolarHBondContact O-N 3.48Å; R200-R203 VanDerWaalsContact O-N 3.08Å; R203-M205 PolarHBondContact O-N 3.26Å; R203-R206 PolarHBondContact O-N 3.03Å; R203-N207 VanDerWaalsContact O-CG 3.22Å; R203-N207 PolarHBondContact O-N 3.29Å; R203-N207 PolarHBondContact O-ND2 2.7Å |
| 204 | E | 98.4 | Very high | 96.6 | Very high | 80 Ų | 80 | 62.2 Ų | 62.2 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 176.8 | -69.4 | 179 | -162.4 | 0 | 0 | 112.1 | R200 D201 M202 N207 L208 | R200-E204 IonicContact NE-OE1 3.89Å; R200-E204 PolarHBondContact O-N 2.96Å; D201-E204 PolarHBondContact O-N 2.91Å; M202-E204 VanDerWaalsContact C-N 3.33Å; E204-N207 WeakPolarHBondContact O-CB 3.4Å; E204-N207 PolarHBondContact O-N 3.46Å; E204-L208 PolarHBondContact O-N 2.54Å |
| 205 | M | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 176.9 | -68 | -53.9 | 95.1 | 0 | 0 | 112.3 | C91 A94 Q95 L129 F132 I133 M136 D201 M202 R203 L208 L209 | C91-M205 HydrophobicContact CB-CE 3.91Å; C91-M205 HydrophobicContact CB-SD 4.25Å; A94-M205 HydrophobicContact CB-SD 3.95Å; Q95-M205 HydrophobicContact CG-CE 4.41Å; L129-M205 HydrophobicContact CD1-CB 3.99Å; L129-M205 HydrophobicContact CD1-CG 4.25Å; L129-M205 HydrophobicContact CD1-SD 3.82Å; F132-M205 HydrophobicContact CD1-CG 4.39Å; F132-M205 HydrophobicContact CE1-CG 4.47Å; F132-M205 HydrophobicContact CE1-SD 4.49Å; I133-M205 HydrophobicContact CD1-CB 4.08Å; I133-M205 HydrophobicContact CG1-CB 3.69Å; M136-M205 HydrophobicContact CE-CG 3.76Å; D201-M205 VanDerWaalsContact O-CG 3.3Å; D201-M205 WeakPolarHBondContact O-CG 3.46Å; D201-M205 PolarHBondContact O-N 3.31Å; M202-M205 PolarHBondContact O-N 3.23Å; R203-M205 PolarHBondContact O-N 3.26Å; M205-L208 HydrophobicContact CE-CD2 4.35Å; M205-L208 WeakPolarHBondContact O-CB 3.39Å; M205-L208 PolarHBondContact O-N 3.12Å; M205-L208 HydrophobicContact SD-CD2 4.3Å; M205-L209 PolarHBondContact O-N 3.42Å |
| 206 | R | 98.3 | Very high | 95.9 | Very high | 115 Ų | 115 | 63.3 Ų | 63.3 | 43% | 0.434 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 171.4 | -75.5 | 179.8 | -178.7 | 169.1 | 2.7 | 112 | I133 M202 R203 L208 L209 S210 | I133-R206 HydrophobicContact CD1-CG 3.92Å; I133-R206 HydrophobicContact CG1-CG 4.43Å; I133-R206 HydrophobicContact CG2-CG 4.04Å; M202-R206 WeakPolarHBondContact O-CG 3.35Å; M202-R206 PolarHBondContact O-N 3.42Å; R203-R206 PolarHBondContact O-N 3.03Å; R206-L208 VanDerWaalsContact C-N 3.29Å; R206-L208 PolarHBondContact O-N 3.17Å; R206-L209 WeakPolarHBondContact O-CB 3.5Å; R206-L209 PolarHBondContact O-N 3.13Å; R206-S210 PolarHBondContact O-N 3.31Å; R206-S210 PolarHBondContact O-OG 3.38Å |
| 207 | N | 98.3 | Very high | 95.3 | Very high | 99 Ų | 99 | 57.8 Ų | 57.8 | 53% | 0.529 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 175.3 | -67.8 | -21.6 | 0 | 0 | 0 | 111.3 | R203 E204 S210 K211 | R203-N207 VanDerWaalsContact O-CG 3.22Å; R203-N207 PolarHBondContact O-N 3.29Å; R203-N207 PolarHBondContact O-ND2 2.7Å; E204-N207 WeakPolarHBondContact O-CB 3.4Å; E204-N207 PolarHBondContact O-N 3.46Å; N207-S210 PolarHBondContact O-N 3.03Å; N207-K211 WeakPolarHBondContact O-CG 3.41Å; N207-K211 PolarHBondContact O-N 3.47Å; N207-K211 VanDerWaalsContact O-N 3.08Å |
| 208 | L | 98.4 | Very high | 94.2 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 174.1 | -173.4 | 66 | 0 | 0 | 0 | 111.8 | A94 Q95 H98 L129 E204 M205 R206 K211 L212 | A94-L208 HydrophobicContact CB-CD2 3.85Å; Q95-L208 HydrophobicContact CG-CD2 4.16Å; H98-L208 HydrophobicContact CB-CD1 3.81Å; H98-L208 HydrophobicContact CB-CG 4.42Å; L129-L208 HydrophobicContact CD1-CD2 4.43Å; L129-L208 HydrophobicContact CD2-CB 4.19Å; L129-L208 HydrophobicContact CD2-CD2 4.18Å; L129-L208 HydrophobicContact CD2-CG 4.09Å; E204-L208 PolarHBondContact O-N 2.54Å; M205-L208 HydrophobicContact CE-CD2 4.35Å; M205-L208 WeakPolarHBondContact O-CB 3.39Å; M205-L208 PolarHBondContact O-N 3.12Å; M205-L208 HydrophobicContact SD-CD2 4.3Å; R206-L208 VanDerWaalsContact C-N 3.29Å; R206-L208 PolarHBondContact O-N 3.17Å; L208-K211 PolarHBondContact O-N 3.38Å; L208-L212 WeakPolarHBondContact O-CB 3.48Å; L208-L212 PolarHBondContact O-N 3.07Å |
| 209 | L | 97.7 | Very high | 92.8 | Very high | 18 Ų | 18 | 65.2 Ų | 65.2 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 176.3 | -177.8 | 64.9 | 0 | 0 | 0 | 111.7 | Q126 L129 E130 I133 M205 R206 L212 R213 | Q126-L209 HydrophobicContact CG-CD1 3.76Å; L129-L209 HydrophobicContact CB-CD1 4.34Å; L129-L209 HydrophobicContact CD2-CB 3.64Å; L129-L209 HydrophobicContact CD2-CD1 4.03Å; L129-L209 HydrophobicContact CD2-CG 4.45Å; L129-L209 HydrophobicContact CG-CB 4.23Å; L129-L209 HydrophobicContact CG-CD1 4.39Å; E130-L209 HydrophobicContact CG-CD1 3.98Å; E130-L209 HydrophobicContact CG-CD2 3.66Å; E130-L209 HydrophobicContact CG-CG 4.5Å; I133-L209 HydrophobicContact CD1-CB 4.31Å; I133-L209 HydrophobicContact CD1-CD2 4.06Å; M205-L209 PolarHBondContact O-N 3.42Å; R206-L209 WeakPolarHBondContact O-CB 3.5Å; R206-L209 PolarHBondContact O-N 3.13Å; L209-L212 WeakPolarHBondContact O-CB 3.46Å; L209-L212 PolarHBondContact O-N 3.24Å; L209-R213 WeakPolarHBondContact O-CG 3.36Å; L209-R213 PolarHBondContact O-N 3.26Å; L209-R213 VanDerWaalsContact O-N 3.07Å |
| 210 | S | 96.2 | Very high | 91.4 | Very high | 61 Ų | 61 | 62.4 Ų | 62.4 | 43% | 0.427 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 173.5 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | R206 N207 L212 R213 E214 | R206-S210 PolarHBondContact O-N 3.31Å; R206-S210 PolarHBondContact O-OG 3.38Å; N207-S210 PolarHBondContact O-N 3.03Å; S210-L212 VanDerWaalsContact C-N 3.31Å; S210-L212 PolarHBondContact O-N 2.96Å; S210-R213 PolarHBondContact O-N 3.38Å; S210-E214 WeakPolarHBondContact O-CG 3.36Å; S210-E214 PolarHBondContact O-N 2.84Å |
| 211 | K | 96.1 | Very high | 89.8 | Confident | 118 Ų | 118 | 62.8 Ų | 62.8 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.7 | -38.5 | 176.4 | -70.2 | 174.1 | -177.8 | -178.5 | 0 | 112.8 | N207 L208 R213 E214 T215 | N207-K211 WeakPolarHBondContact O-CG 3.41Å; N207-K211 PolarHBondContact O-N 3.47Å; N207-K211 VanDerWaalsContact O-N 3.08Å; L208-K211 PolarHBondContact O-N 3.38Å; K211-R213 VanDerWaalsContact C-N 3.35Å; K211-E214 PolarHBondContact O-N 2.99Å; K211-T215 WeakPolarHBondContact O-CB 3.45Å; K211-T215 WeakPolarHBondContact O-CG2 3.48Å; K211-T215 PolarHBondContact O-N 3.2Å; K211-T215 PolarHBondContact O-OG1 3.16Å |
| 212 | L | 95.1 | Very high | 88 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62 | -44 | 176.9 | -175.7 | 70.8 | 0 | 0 | 0 | 111.2 | L101 F122 L125 Q126 L208 L209 S210 T215 M216 | L101-L212 HydrophobicContact CD1-CD1 4.26Å; F122-L212 HydrophobicContact CD1-CD1 3.48Å; F122-L212 VanDerWaalsContact CD1-CD1 3.48Å; F122-L212 HydrophobicContact CD1-CG 4.1Å; F122-L212 HydrophobicContact CE1-CD1 3.67Å; L125-L212 HydrophobicContact CB-CD2 4.27Å; L125-L212 HydrophobicContact CD2-CD1 3.87Å; L125-L212 HydrophobicContact CD2-CD2 4.33Å; L125-L212 HydrophobicContact CG-CD1 4.46Å; L125-L212 HydrophobicContact CG-CD2 4.06Å; Q126-L212 VanDerWaalsContact CA-CD2 3.49Å; Q126-L212 HydrophobicContact CB-CD2 3.73Å; Q126-L212 HydrophobicContact CG-CD2 4.45Å; L208-L212 WeakPolarHBondContact O-CB 3.48Å; L208-L212 PolarHBondContact O-N 3.07Å; L209-L212 WeakPolarHBondContact O-CB 3.46Å; L209-L212 PolarHBondContact O-N 3.24Å; S210-L212 VanDerWaalsContact C-N 3.31Å; S210-L212 PolarHBondContact O-N 2.96Å; L212-T215 PolarHBondContact O-N 3.28Å; L212-T215 PolarHBondContact O-OG1 3.25Å; L212-M216 PolarHBondContact O-N 3.02Å; L212-M216 VanDerWaalsContact O-N 3.13Å |
| 213 | R | 92.1 | Very high | 86.1 | Confident | 122 Ų | 122 | 73.6 Ų | 73.6 | 46% | 0.46 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.4 | -36.1 | 177.5 | -69.2 | 175.8 | -179.5 | 178.3 | 0.9 | 112 | E130 L209 S210 K211 M216 | E130-R213 IonicContact OE1-CZ 3.98Å; E130-R213 IonicContact OE1-NE 3.71Å; E130-R213 IonicContact OE1-NH2 3.73Å; E130-R213 PolarHBondContact OE1-NH2 3.46Å; L209-R213 WeakPolarHBondContact O-CG 3.36Å; L209-R213 PolarHBondContact O-N 3.26Å; L209-R213 VanDerWaalsContact O-N 3.07Å; S210-R213 PolarHBondContact O-N 3.38Å; K211-R213 VanDerWaalsContact C-N 3.35Å; R213-M216 WeakPolarHBondContact O-CB 3.47Å; R213-M216 PolarHBondContact O-N 2.88Å |
| 214 | E | 89.8 | Confident | 84.3 | Confident | 137 Ų | 137 | 72.8 Ų | 72.8 | 64% | 0.64 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.2 | -39.4 | 176 | -73.4 | 170.8 | -173.7 | 0 | 0 | 112.7 | S210 K211 M216 | S210-E214 WeakPolarHBondContact O-CG 3.36Å; S210-E214 PolarHBondContact O-N 2.84Å; K211-E214 PolarHBondContact O-N 2.99Å; E214-M216 VanDerWaalsContact C-N 3.32Å |
| 215 | T | 88.9 | Confident | 82.2 | Confident | 58 Ų | 58 | 75.9 Ų | 75.9 | 36% | 0.356 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 0.8 | -178.6 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | K211 L212 | K211-T215 WeakPolarHBondContact O-CB 3.45Å; K211-T215 WeakPolarHBondContact O-CG2 3.48Å; K211-T215 PolarHBondContact O-N 3.2Å; K211-T215 PolarHBondContact O-OG1 3.16Å; L212-T215 PolarHBondContact O-N 3.28Å; L212-T215 PolarHBondContact O-OG1 3.25Å |
| 216 | M | 85.2 | Confident | 79.9 | Confident | 19 Ų | 19 | 80.6 Ų | 80.6 | 9% | 0.094 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -67.7 | 138.1 | -176.8 | -162.1 | 175.6 | -77.7 | 0 | 0 | 111.7 | F122 Q126 L212 R213 E214 L220 | F122-M216 HydrophobicContact CB-CE 4.24Å; F122-M216 HydrophobicContact CB-CG 4.21Å; F122-M216 HydrophobicContact CD1-CB 4.29Å; F122-M216 HydrophobicContact CD1-CE 4.43Å; F122-M216 HydrophobicContact CD1-CG 4.07Å; F122-M216 HydrophobicContact CG-CG 4.21Å; Q126-M216 HydrophobicContact CB-CE 4.49Å; L212-M216 PolarHBondContact O-N 3.02Å; L212-M216 VanDerWaalsContact O-N 3.13Å; R213-M216 WeakPolarHBondContact O-CB 3.47Å; R213-M216 PolarHBondContact O-N 2.88Å; E214-M216 VanDerWaalsContact C-N 3.32Å; M216-L220 HydrophobicContact CG-CB 3.66Å; M216-L220 HydrophobicContact CG-CD1 3.45Å; M216-L220 VanDerWaalsContact CG-CD1 3.45Å; M216-L220 HydrophobicContact CG-CG 4.16Å; M216-L220 HydrophobicContact SD-CB 3.45Å; M216-L220 WeakPolarHBondContact SD-CB 3.39Å; M216-L220 HydrophobicContact SD-CD1 3.63Å; M216-L220 HydrophobicContact SD-CG 4.16Å |
| 217 | P | 82.1 | Confident | 77.6 | Confident | 8 Ų | 8 | 78.3 Ų | 78.3 | 5% | 0.052 | 41% | 0.414 | C | S | . | . | trans | -46 | 138.4 | 173.4 | -35.7 | 38.6 | 0 | 0 | 0 | 114.4 | I114 F122 P219 L220 K221 | I114-P217 HydrophobicContact CD1-CB 3.58Å; I114-P217 HydrophobicContact CD1-CG 4.12Å; I114-P217 HydrophobicContact CG2-CB 4.19Å; I114-P217 HydrophobicContact CG2-CG 4.01Å; F122-P217 HydrophobicContact CD2-CG 3.96Å; F122-P217 HydrophobicContact CE2-CG 3.95Å; P217-P219 VanDerWaalsContact C-N 3.31Å; P217-L220 HydrophobicContact CB-CD1 4.49Å; P217-L220 WeakPolarHBondContact O-CA 3.45Å; P217-L220 WeakPolarHBondContact O-CB 3.39Å; P217-L220 PolarHBondContact O-N 3.34Å; P217-K221 PolarHBondContact O-N 2.9Å; P217-K221 VanDerWaalsContact O-N 3.13Å | ||
| 218 | L | 73.8 | Confident | 75.3 | Confident | 114 Ų | 114 | 80 Ų | 80 | 60% | 0.597 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -50.8 | -37.9 | 177.5 | -68.9 | 174.1 | 0 | 0 | 0 | 114.9 | L220 K221 N222 | L218-L220 PolarHBondContact O-N 2.91Å; L218-L220 VanDerWaalsContact O-N 3.11Å; L218-K221 PolarHBondContact O-N 2.89Å; L218-N222 PolarHBondContact O-N 3.1Å; L218-N222 VanDerWaalsContact O-N 3.09Å; L218-N222 PolarHBondContact O-ND2 3.07Å |
| 219 | P | 67.8 | Low | 72.9 | Confident | 75 Ų | 75 | 86.8 Ų | 86.8 | 49% | 0.487 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58 | -22.9 | 174.6 | -26.5 | 35.9 | 0 | 0 | 0 | 114.4 | P217 Q223 | P217-P219 VanDerWaalsContact C-N 3.31Å; P219-Q223 WeakPolarHBondContact O-CG 3.49Å; P219-Q223 PolarHBondContact O-NE2 3.35Å |
| 220 | L | 69.7 | Low | 70.3 | Confident | 20 Ų | 20 | 91.3 Ų | 91.3 | 11% | 0.105 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -92.3 | -42 | 175.1 | -59.1 | 177.1 | 0 | 0 | 0 | 111.4 | C119 F122 I123 M216 P217 L218 N222 Q223 | C119-L220 HydrophobicContact CB-CD1 3.88Å; C119-L220 HydrophobicContact CB-CD2 4.24Å; C119-L220 HydrophobicContact CB-CG 4.21Å; F122-L220 HydrophobicContact CB-CD1 4.03Å; I123-L220 HydrophobicContact CD1-CD2 3.82Å; I123-L220 HydrophobicContact CG1-CD1 4.23Å; I123-L220 HydrophobicContact CG1-CD2 4.2Å; M216-L220 HydrophobicContact CG-CB 3.66Å; M216-L220 HydrophobicContact CG-CD1 3.45Å; M216-L220 VanDerWaalsContact CG-CD1 3.45Å; M216-L220 HydrophobicContact CG-CG 4.16Å; M216-L220 HydrophobicContact SD-CB 3.45Å; M216-L220 WeakPolarHBondContact SD-CB 3.39Å; M216-L220 HydrophobicContact SD-CD1 3.63Å; M216-L220 HydrophobicContact SD-CG 4.16Å; P217-L220 HydrophobicContact CB-CD1 4.49Å; P217-L220 WeakPolarHBondContact O-CA 3.45Å; P217-L220 WeakPolarHBondContact O-CB 3.39Å; P217-L220 PolarHBondContact O-N 3.34Å; L218-L220 PolarHBondContact O-N 2.91Å; L218-L220 VanDerWaalsContact O-N 3.11Å; L220-N222 VanDerWaalsContact C-N 3.28Å; L220-N222 PolarHBondContact O-N 3.4Å; L220-Q223 PolarHBondContact O-N 3.4Å; L220-Q223 VanDerWaalsContact O-N 3.14Å |
| 221 | K | 63.9 | Low | 67.9 | Low | 113 Ų | 113 | 95.6 Ų | 95.6 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -29.1 | -178.2 | -164.9 | 171.5 | -174.8 | 171 | 0 | 114.1 | P217 L218 Q223 | P217-K221 PolarHBondContact O-N 2.9Å; P217-K221 VanDerWaalsContact O-N 3.13Å; L218-K221 PolarHBondContact O-N 2.89Å; K221-Q223 VanDerWaalsContact C-N 3.29Å; K221-Q223 PolarHBondContact O-N 3.49Å |
| 222 | N | 60 | Low | 65.2 | Low | 133 Ų | 133 | 95 Ų | 95 | 71% | 0.711 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 4.1 | 178.8 | -65.9 | -38.3 | 0 | 0 | 0 | 113.8 | L218 L220 | L218-N222 PolarHBondContact O-N 3.1Å; L218-N222 VanDerWaalsContact O-N 3.09Å; L218-N222 PolarHBondContact O-ND2 3.07Å; L220-N222 VanDerWaalsContact C-N 3.28Å; L220-N222 PolarHBondContact O-N 3.4Å |
| 223 | Q | 59.1 | Low | 62.5 | Low | 113 Ų | 113 | 103.3 Ų | 103.3 | 53% | 0.528 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -11.3 | 177.7 | -65.9 | -167.1 | 4.8 | 0 | 0 | 114 | P219 L220 K221 D225 S227 | P219-Q223 WeakPolarHBondContact O-CG 3.49Å; P219-Q223 PolarHBondContact O-NE2 3.35Å; L220-Q223 PolarHBondContact O-N 3.4Å; L220-Q223 VanDerWaalsContact O-N 3.14Å; K221-Q223 VanDerWaalsContact C-N 3.29Å; K221-Q223 PolarHBondContact O-N 3.49Å; Q223-D225 PolarHBondContact O-N 3.35Å; Q223-D225 VanDerWaalsContact O-N 3.17Å; Q223-S227 PolarHBondContact O-OG 2.93Å |
| 224 | D | 60.8 | Low | 59.8 | Low | 109 Ų | 109 | 107.5 Ų | 107.5 | 58% | 0.583 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | 92.3 | -177.3 | -68.5 | -36.6 | 0 | 0 | 0 | 110.5 | ||
| 225 | D | 54.7 | Low | 57.7 | Low | 144 Ų | 144 | 105.9 Ų | 105.9 | 77% | 0.77 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | 159.7 | -25.6 | 129.8 | -81.4 | -26 | 0 | 0 | 0 | 113.1 | Q223 | Q223-D225 PolarHBondContact O-N 3.35Å; Q223-D225 VanDerWaalsContact O-N 3.17Å | |
| 226 | S | 50.8 | Low | 56 | Low | 100 Ų | 100 | 111.8 Ų | 111.8 | 70% | 0.699 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -13.3 | -174.4 | -70.9 | 0 | 0 | 0 | 0 | 116.1 | N230 | S226-N230 PolarHBondContact O-ND2 2.97Š|
| 227 | S | 50.2 | Low | 54.2 | Low | 67 Ų | 67 | 116.1 Ų | 116.1 | 47% | 0.469 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -102.7 | -27 | -173.3 | 50.6 | 0 | 0 | 0 | 0 | 114.4 | Q223 L229 N230 | Q223-S227 PolarHBondContact O-OG 2.93Å; S227-L229 VanDerWaalsContact C-N 3.29Å; S227-L229 PolarHBondContact O-N 3.24Å; S227-N230 PolarHBondContact O-N 2.82Å |
| 228 | L | 48.5 | Very low | 52.7 | Low | 134 Ų | 134 | 127.4 Ų | 127.4 | 70% | 0.702 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -20.8 | -179.8 | -66.9 | 177.5 | 0 | 0 | 0 | 113.8 | ||
| 229 | L | 48.3 | Very low | 51.2 | Low | 158 Ų | 158 | 130.6 Ų | 130.6 | 83% | 0.827 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -9.8 | 173.6 | -64.9 | 178.5 | 0 | 0 | 0 | 113.5 | S227 L231 | S227-L229 VanDerWaalsContact C-N 3.29Å; S227-L229 PolarHBondContact O-N 3.24Å; L229-L231 PolarHBondContact O-N 3.25Å |
| 230 | N | 44.2 | Very low | 50.4 | Low | 113 Ų | 113 | 138 Ų | 138 | 60% | 0.604 | 69% | 0.691 | S | S | * | * | trans | -92.1 | 77.1 | 173.1 | -80.2 | -58.7 | 0 | 0 | 0 | 109.6 | S226 S227 T232 | S226-N230 PolarHBondContact O-ND2 2.97Å; S227-N230 PolarHBondContact O-N 2.82Å; N230-T232 PolarHBondContact O-N 3.33Å | ||
| 231 | L | 44.1 | Very low | 49.3 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -65.5 | 67.1 | 158.1 | -98.3 | 102.5 | 0 | 0 | 0 | 109.9 | L229 Q233 | L229-L231 PolarHBondContact O-N 3.25Å; L231-Q233 VanDerWaalsContact C-N 3.32Å; L231-Q233 PolarHBondContact O-N 2.92Å | ||
| 232 | T | 39.5 | Very low | 48.6 | Very low | 107 Ų | 107 | 151.6 Ų | 151.6 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | trans | -79.4 | 95.4 | 150 | 26.9 | 0 | 0 | 0 | 0 | 106.6 | N230 Y234 | N230-T232 PolarHBondContact O-N 3.33Å; T232-Y234 PolarHBondContact O-N 2.76Å | ||
| 233 | Q | 38.5 | Very low | 48.3 | Very low | 174 Ų | 174 | 156.4 Ų | 156.4 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | -45.7 | 104.6 | 167.5 | -75.2 | 173 | -35.3 | 0 | 0 | 109.4 | L231 P235 | L231-Q233 VanDerWaalsContact C-N 3.32Å; L231-Q233 PolarHBondContact O-N 2.92Å; Q233-P235 VanDerWaalsContact O-CD 3.28Å; Q233-P235 WeakPolarHBondContact O-CD 3.28Å | ||
| 234 | Y | 36.2 | Very low | 47.4 | Very low | 211 Ų | 211 | 161 Ų | 161 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | -82.7 | 110.3 | 156.5 | -93.3 | -86.9 | 0 | 0 | 0 | 106.9 | T232 L236 | T232-Y234 PolarHBondContact O-N 2.76Å; Y234-L236 PolarHBondContact O-N 3.22Å; Y234-L236 VanDerWaalsContact O-N 3.07Å | ||
| 235 | P | 45.4 | Very low | 46.5 | Very low | 103 Ų | 103 | 161.2 Ų | 161.2 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -71.1 | 111.1 | -179.6 | 27.4 | -30.4 | 0 | 0 | 0 | 109.1 | Q233 V237 | Q233-P235 VanDerWaalsContact O-CD 3.28Å; Q233-P235 WeakPolarHBondContact O-CD 3.28Å; P235-V237 HydrophobicContact CB-CG2 4.08Å; P235-V237 PolarHBondContact O-N 3.08Å | ||
| 236 | L | 53.6 | Low | 46.2 | Very low | 181 Ų | 181 | 157.2 Ų | 157.2 | 95% | 0.948 | 77% | 0.773 | S | S | * | * | trans | -73.5 | 53.8 | 162.3 | -68.4 | 177 | 0 | 0 | 0 | 110.4 | Y234 R238 | Y234-L236 PolarHBondContact O-N 3.22Å; Y234-L236 VanDerWaalsContact O-N 3.07Å; L236-R238 PolarHBondContact O-N 2.77Å | ||
| 237 | V | 46.9 | Very low | 46 | Very low | 111 Ų | 111 | 162.8 Ų | 162.8 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | trans | -85.9 | 102.1 | 168.9 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | P235 Q239 | P235-V237 HydrophobicContact CB-CG2 4.08Å; P235-V237 PolarHBondContact O-N 3.08Å; V237-Q239 PolarHBondContact O-N 3.13Å | ||
| 238 | R | 49.9 | Very low | 45.6 | Very low | 244 Ų | 244 | 165.2 Ų | 165.2 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -56.7 | 100.3 | 162.2 | -169.2 | 177.5 | -176 | 175.6 | 1.9 | 107.5 | L236 R240 | L236-R238 PolarHBondContact O-N 2.77Å; R238-R240 PolarHBondContact O-N 3.16Å | ||
| 239 | Q | 42.4 | Very low | 45.4 | Very low | 182 Ų | 182 | 164.9 Ų | 164.9 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -61.3 | 105 | 178 | -80.1 | -148.7 | -8 | 0 | 0 | 109.9 | V237 K241 | V237-Q239 PolarHBondContact O-N 3.13Å; Q239-K241 PolarHBondContact O-N 3.06Å | ||
| 240 | R | 50.6 | Low | 45.2 | Very low | 230 Ų | 230 | 165.5 Ų | 165.5 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | -72.7 | 110.2 | 165 | -156.9 | 175.8 | -170.4 | 170.7 | 1.8 | 106.2 | R238 R242 | R238-R240 PolarHBondContact O-N 3.16Å; R240-R242 VanDerWaalsContact C-N 3.3Å; R240-R242 PolarHBondContact O-N 3.21Å | ||
| 241 | K | 47.4 | Very low | 44.9 | Very low | 198 Ų | 198 | 167 Ų | 167 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | trans | -56.6 | 87.9 | 178 | -166.7 | 173.4 | -174.4 | 174.5 | 0 | 109.9 | Q239 R243 | Q239-K241 PolarHBondContact O-N 3.06Å; K241-R243 PolarHBondContact O-N 3.39Å | ||
| 242 | R | 50.2 | Low | 44.7 | Very low | 221 Ų | 221 | 165.5 Ų | 165.5 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | trans | -74.8 | 112.4 | 172.8 | -74.2 | -165.4 | -176.9 | -162.6 | 2.8 | 107.3 | R240 F244 | R240-R242 VanDerWaalsContact C-N 3.3Å; R240-R242 PolarHBondContact O-N 3.21Å; R242-F244 PolarHBondContact O-N 3.48Å | ||
| 243 | R | 52.5 | Low | 44.6 | Very low | 234 Ų | 234 | 167.8 Ų | 167.8 | 88% | 0.883 | 87% | 0.871 | S | S | * | * | trans | -65 | 124.9 | 164 | -65.3 | -174.6 | -171.6 | -174 | 2.4 | 106.8 | K241 | K241-R243 PolarHBondContact O-N 3.39Š| ||
| 244 | F | 39.8 | Very low | 45 | Very low | 208 Ų | 208 | 167.5 Ų | 167.5 | 91% | 0.912 | 87% | 0.874 | S | S | * | * | trans | -61.1 | 132.3 | 173.1 | -90.5 | -97.2 | 0 | 0 | 0 | 110.1 | R242 | R242-F244 PolarHBondContact O-N 3.48Š| ||
| 245 | S | 43.6 | Very low | 45.4 | Very low | 114 Ų | 114 | 165.2 Ų | 165.2 | 80% | 0.797 | 88% | 0.876 | S | S | * | * | trans | -147.3 | 111.4 | 155.4 | -47.8 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 246 | G | 48 | Very low | 45.4 | Very low | 61 Ų | 61 | 168.6 Ų | 168.6 | 63% | 0.629 | 89% | 0.888 | S | S | * | * | trans | -67.3 | 165.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 247 | F | 46.5 | Very low | 44.9 | Very low | 217 Ų | 217 | 167.9 Ų | 167.9 | 95% | 0.952 | 88% | 0.884 | S | S | * | * | trans | -173.3 | 137.1 | 132.9 | -98.6 | -71.2 | 0 | 0 | 0 | 108.4 | ||||
| 248 | C | 42.3 | Very low | 44.8 | Very low | 118 Ų | 118 | 171.4 Ų | 171.4 | 80% | 0.797 | 90% | 0.897 | S | S | * | * | trans | -48.9 | 153.1 | 171.4 | -72.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 249 | C | 44.1 | Very low | 44.5 | Very low | 127 Ų | 127 | 166.6 Ų | 166.6 | 86% | 0.858 | 90% | 0.896 | S | S | * | * | -171 | 132.6 | 110.2 | -90.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 250 | L | 43.5 | Very low | 44.6 | Very low | 171 Ų | 171 | 165.5 Ų | 165.5 | 90% | 0.895 | 90% | 0.899 | S | S | * | * | trans | -63.9 | 145.5 | 166.7 | -69.8 | 140.2 | 0 | 0 | 0 | 110.2 | ||||
| 251 | V | 38.9 | Very low | 44.2 | Very low | 143 Ų | 143 | 160.5 Ų | 160.5 | 87% | 0.867 | 90% | 0.901 | S | S | * | * | trans | -113.4 | 113.2 | 162.1 | 173.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 252 | S | 39.5 | Very low | 43.9 | Very low | 121 Ų | 121 | 157.4 Ų | 157.4 | 85% | 0.846 | 91% | 0.905 | S | S | * | * | trans | -76 | 143.9 | 162.4 | -68.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 253 | G | 37.8 | Very low | 43.3 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 100% | 1.588 | 91% | 0.911 | S | S | * | * | trans | 164.5 | 0 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 253 of 253 residues in 69.1 ms
(Link to these results)