| 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 | 33.8 | Very low | 37.1 | Very low | 216 Ų | 216 | 153.5 Ų | 153.5 | 100% | 1.064 | 80% | 0.803 | S | S | * | * | 0 | 96.4 | 0 | -86.7 | 81.6 | 150.7 | 0 | 0 | 107.9 | |||||
| 2 | N | 31.8 | Very low | 37.1 | Very low | 145 Ų | 145 | 154.3 Ų | 154.3 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | 78.4 | 118.2 | 104.6 | -55.6 | -5.8 | 0 | 0 | 0 | 109.9 | |||||
| 3 | H | 35.6 | Very low | 36.9 | Very low | 179 Ų | 179 | 153.8 Ų | 153.8 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | -165.7 | 137.9 | 50.4 | -126.9 | -87.8 | 0 | 0 | 0 | 110.7 | |||||
| 4 | L | 42.3 | Very low | 36.4 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -74.1 | -175.9 | 148.8 | -127.5 | 101.9 | 0 | 0 | 0 | 108.1 | ||||
| 5 | P | 55.1 | Low | 36.2 | Very low | 90 Ų | 90 | 145 Ų | 145 | 58% | 0.584 | 80% | 0.803 | S | S | * | * | cis | -139.9 | -178.6 | 9.1 | 34.4 | -11.6 | 0 | 0 | 0 | 114.3 | ||||
| 6 | E | 38.5 | Very low | 36.1 | Very low | 196 Ų | 196 | 147.1 Ų | 147.1 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | -162.1 | 139.7 | 125.9 | -106.3 | 179.4 | 172.3 | 0 | 0 | 111.3 | |||||
| 7 | D | 36 | Very low | 35.8 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | -83.1 | 154.4 | -161.6 | -92.8 | -49 | 0 | 0 | 0 | 114.3 | ||||
| 8 | M | 37.9 | Very low | 35.7 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | 60.3 | 140 | 136.9 | -147.1 | 155.7 | 64.4 | 0 | 0 | 115.7 | ||||
| 9 | E | 34.4 | Very low | 35.6 | Very low | 158 Ų | 158 | 145 Ų | 145 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | -179.4 | 130.9 | 54.9 | -9.4 | -178.8 | 104.4 | 0 | 0 | 105.7 | |||||
| 10 | N | 30.6 | Very low | 36 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | trans | -169.2 | 125.6 | 130.7 | -105.9 | -26.2 | 0 | 0 | 0 | 112 | ||||
| 11 | A | 32.5 | Very low | 35.9 | Very low | 84 Ų | 84 | 141.4 Ų | 141.4 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | trans | -97.3 | 153 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 12 | L | 36.2 | Very low | 36.4 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | 57.5 | 107.2 | 149 | -90.6 | 83 | 0 | 0 | 0 | 119.9 | ||||
| 13 | T | 35.2 | Very low | 36.8 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 91% | 0.908 | 80% | 0.798 | S | S | * | * | -138.8 | 137.5 | 115.4 | 56.6 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 14 | G | 29.1 | Very low | 36.8 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | cis | 127.4 | 75 | 13.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 15 | S | 34.1 | Very low | 36.7 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 65.6 | 123.5 | 150.7 | -161.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 16 | Q | 34.3 | Very low | 36 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | 178.6 | 135.1 | 106.5 | -96.4 | 174.5 | 96.4 | 0 | 0 | 115.7 | |||||
| 17 | S | 30.9 | Very low | 36.2 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | 83.4 | 99.4 | 147.7 | 72.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 18 | S | 34.7 | Very low | 36.9 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -34.4 | 130.4 | 147.3 | -41 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 19 | H | 33.8 | Very low | 37.4 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | -140.6 | 100.9 | 144.5 | -91.8 | -82.1 | 0 | 0 | 0 | 109.5 | S21 | H19-S21 PolarHBondContact O-N 3.12Š| ||
| 20 | A | 42.5 | Very low | 38.3 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -57.7 | 127.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 21 | S | 34.2 | Very low | 39.1 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -124.4 | 57.3 | 160.3 | -142.8 | 0 | 0 | 0 | 0 | 109.4 | H19 R23 | H19-S21 PolarHBondContact O-N 3.12Å; S21-R23 PolarHBondContact O-N 3.47Å | ||
| 22 | L | 44.6 | Very low | 40 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 88% | 0.88 | 75% | 0.745 | S | S | * | * | trans | -80.6 | 91.3 | 156.3 | -112.5 | -179.7 | 0 | 0 | 0 | 107 | ||||
| 23 | R | 41 | Very low | 40.8 | Very low | 220 Ų | 220 | 128.3 Ų | 128.3 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | trans | 157.8 | 106.5 | 150.9 | -100.9 | 177.8 | 162.7 | 148.7 | -4.4 | 109.3 | S21 | S21-R23 PolarHBondContact O-N 3.47Š| ||
| 24 | N | 34.5 | Very low | 41.6 | Very low | 154 Ų | 154 | 126.5 Ų | 126.5 | 82% | 0.824 | 71% | 0.71 | S | S | * | * | -169.4 | 66.9 | 117.3 | -99.6 | -25.4 | 0 | 0 | 0 | 108.2 | H26 | N24-H26 VanDerWaalsContact C-N 3.32Å; N24-H26 PolarHBondContact O-N 3.22Å; N24-H26 VanDerWaalsContact O-N 3.16Å | |||
| 25 | I | 41.1 | Very low | 42.7 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 81% | 0.81 | 70% | 0.698 | S | S | * | * | trans | -61.9 | 110.7 | 143.5 | -61.4 | 177.5 | 0 | 0 | 0 | 103.1 | S27 | I25-S27 PolarHBondContact O-N 3.35Š| ||
| 26 | H | 40.6 | Very low | 43.6 | Very low | 161 Ų | 161 | 129 Ų | 129 | 75% | 0.745 | 69% | 0.694 | S | S | * | * | trans | -60.3 | 90 | 170.8 | -171.9 | 82.1 | 0 | 0 | 0 | 106.1 | N24 I28 | N24-H26 VanDerWaalsContact C-N 3.32Å; N24-H26 PolarHBondContact O-N 3.22Å; N24-H26 VanDerWaalsContact O-N 3.16Å; H26-I28 PolarHBondContact O-N 2.96Å | ||
| 27 | S | 41.8 | Very low | 44.6 | Very low | 77 Ų | 77 | 123.8 Ų | 123.8 | 54% | 0.538 | 67% | 0.671 | S | S | . | * | trans | -58.1 | 110.1 | 173.1 | 54.4 | 0 | 0 | 0 | 0 | 104.8 | I25 N29 | I25-S27 PolarHBondContact O-N 3.35Å; S27-N29 VanDerWaalsContact C-N 3.29Å; S27-N29 PolarHBondContact O-N 3.01Å | ||
| 28 | I | 50.8 | Low | 45.4 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 66% | 0.656 | 67% | 0.665 | S | S | * | * | trans | -53 | 106.5 | 168.5 | -62.1 | 172.5 | 0 | 0 | 0 | 104.5 | H26 P30 L33 | H26-I28 PolarHBondContact O-N 2.96Å; I28-P30 WeakPolarHBondContact O-CD 3.42Å; I28-P30 VanDerWaalsContact O-N 3.14Å; I28-L33 HydrophobicContact CG2-CD1 4.38Å | ||
| 29 | N | 47.8 | Very low | 46 | Very low | 81 Ų | 81 | 123.2 Ų | 123.2 | 43% | 0.433 | 65% | 0.652 | S | S | . | * | trans | -59.8 | 123.4 | -174.4 | -98.1 | -53.9 | 0 | 0 | 0 | 106.5 | S27 T31 Q32 L33 | S27-N29 VanDerWaalsContact C-N 3.29Å; S27-N29 PolarHBondContact O-N 3.01Å; N29-T31 PolarHBondContact O-N 2.72Å; N29-Q32 HydrophobicContact CB-CB 4.32Å; N29-Q32 HydrophobicContact CB-CG 4.26Å; N29-Q32 PolarHBondContact O-N 2.52Å; N29-L33 PolarHBondContact O-N 3.18Å; N29-L33 VanDerWaalsContact O-N 3.09Å | ||
| 30 | P | 53.1 | Low | 46.7 | Very low | 93 Ų | 93 | 122.9 Ų | 122.9 | 60% | 0.604 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -59.1 | -24 | 179.1 | 23.3 | -32.6 | 0 | 0 | 0 | 110.8 | I28 M34 | I28-P30 WeakPolarHBondContact O-CD 3.42Å; I28-P30 VanDerWaalsContact O-N 3.14Å; P30-M34 WeakPolarHBondContact O-CB 2.96Å; P30-M34 WeakPolarHBondContact O-CG 3.36Å; P30-M34 PolarHBondContact O-N 2.64Å |
| 31 | T | 47.5 | Very low | 46.9 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 61% | 0.613 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.4 | -30.9 | 171 | 42 | 0 | 0 | 0 | 0 | 114.3 | N29 A35 | N29-T31 PolarHBondContact O-N 2.72Å; T31-A35 WeakPolarHBondContact O-CB 3.41Å; T31-A35 PolarHBondContact O-N 2.99Å |
| 32 | Q | 53.1 | Low | 47 | Very low | 144 Ų | 144 | 120.6 Ų | 120.6 | 67% | 0.673 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -80.7 | -33.1 | 172.6 | -74.9 | -145.5 | 4.4 | 0 | 0 | 112.4 | N29 R36 | N29-Q32 HydrophobicContact CB-CB 4.32Å; N29-Q32 HydrophobicContact CB-CG 4.26Å; N29-Q32 PolarHBondContact O-N 2.52Å; Q32-R36 WeakPolarHBondContact O-CB 3.28Å; Q32-R36 PolarHBondContact O-N 3.04Å |
| 33 | L | 52.8 | Low | 47.1 | Very low | 91 Ų | 91 | 123.7 Ų | 123.7 | 48% | 0.476 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.7 | -44.2 | 170.2 | -163.9 | 90.6 | 0 | 0 | 0 | 110.4 | I28 N29 R36 I37 | I28-L33 HydrophobicContact CG2-CD1 4.38Å; N29-L33 PolarHBondContact O-N 3.18Å; N29-L33 VanDerWaalsContact O-N 3.09Å; L33-R36 CarbonylContact O-C 3.58Å; L33-R36 WeakPolarHBondContact O-CB 3.43Å; L33-R36 PolarHBondContact O-N 2.97Å; L33-I37 HydrophobicContact CD2-CD1 3.94Å; L33-I37 HydrophobicContact CG-CD1 3.98Å; L33-I37 WeakPolarHBondContact O-CB 3.39Å; L33-I37 VanDerWaalsContact O-CG1 3.23Å; L33-I37 WeakPolarHBondContact O-CG1 3.36Å; L33-I37 PolarHBondContact O-N 3.19Å |
| 34 | M | 52.3 | Low | 47.3 | Very low | 110 Ų | 110 | 119 Ų | 119 | 54% | 0.542 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.8 | -42.2 | 173.2 | -77.4 | -73.1 | 139.3 | 0 | 0 | 111.6 | P30 R36 I37 E38 | P30-M34 WeakPolarHBondContact O-CB 2.96Å; P30-M34 WeakPolarHBondContact O-CG 3.36Å; P30-M34 PolarHBondContact O-N 2.64Å; M34-R36 PolarHBondContact O-N 3.23Å; M34-I37 HydrophobicContact CE-CD1 4.01Å; M34-I37 PolarHBondContact O-N 3.33Å; M34-E38 WeakPolarHBondContact O-CA 3.42Å; M34-E38 WeakPolarHBondContact O-CB 3.18Å; M34-E38 PolarHBondContact O-N 2.86Å |
| 35 | A | 50.3 | Low | 47.8 | Very low | 54 Ų | 54 | 120.6 Ų | 120.6 | 45% | 0.446 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.8 | -28.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T31 S39 | T31-A35 WeakPolarHBondContact O-CB 3.41Å; T31-A35 PolarHBondContact O-N 2.99Å; A35-S39 VanDerWaalsContact O-CB 3.29Å; A35-S39 WeakPolarHBondContact O-CB 3.33Å; A35-S39 PolarHBondContact O-N 3.48Å |
| 36 | R | 54 | Low | 48.3 | Very low | 175 Ų | 175 | 123.4 Ų | 123.4 | 66% | 0.66 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76.5 | -42.6 | 174 | -161 | 176.6 | -149.3 | 159.1 | 5.3 | 111.4 | Q32 L33 M34 S39 Y40 | Q32-R36 WeakPolarHBondContact O-CB 3.28Å; Q32-R36 PolarHBondContact O-N 3.04Å; L33-R36 CarbonylContact O-C 3.58Å; L33-R36 WeakPolarHBondContact O-CB 3.43Å; L33-R36 PolarHBondContact O-N 2.97Å; M34-R36 PolarHBondContact O-N 3.23Å; R36-S39 WeakPolarHBondContact CA-OG 3.49Å; R36-S39 WeakPolarHBondContact O-CB 3.5Å; R36-S39 PolarHBondContact O-N 2.91Å; R36-S39 VanDerWaalsContact O-N 3.17Å; R36-S39 PolarHBondContact O-OG 2.94Å; R36-Y40 HydrophobicContact CG-CE2 4.21Å; R36-Y40 WeakPolarHBondContact O-CD2 3.27Å; R36-Y40 PolarHBondContact O-N 2.6Å; R36-Y40 VanDerWaalsContact O-N 3.13Å |
| 37 | I | 55.1 | Low | 48.8 | Very low | 68 Ų | 68 | 117.9 Ų | 117.9 | 35% | 0.349 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.5 | -44 | 173.4 | -68.4 | 163.5 | 0 | 0 | 0 | 110 | L33 M34 S39 Y40 E41 | L33-I37 HydrophobicContact CD2-CD1 3.94Å; L33-I37 HydrophobicContact CG-CD1 3.98Å; L33-I37 WeakPolarHBondContact O-CB 3.39Å; L33-I37 VanDerWaalsContact O-CG1 3.23Å; L33-I37 WeakPolarHBondContact O-CG1 3.36Å; L33-I37 PolarHBondContact O-N 3.19Å; M34-I37 HydrophobicContact CE-CD1 4.01Å; M34-I37 PolarHBondContact O-N 3.33Å; I37-S39 PolarHBondContact O-N 3.31Å; I37-Y40 CarbonylContact O-C 3.54Å; I37-Y40 WeakPolarHBondContact O-CA 3.21Å; I37-Y40 PolarHBondContact O-N 3.4Å; I37-E41 PolarHBondContact O-N 3.39Å |
| 38 | E | 48.2 | Very low | 49.4 | Very low | 134 Ų | 134 | 117.9 Ų | 117.9 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.7 | -22.4 | 174.2 | -165.3 | 174.2 | -160.1 | 0 | 0 | 111.9 | M34 G42 | M34-E38 WeakPolarHBondContact O-CA 3.42Å; M34-E38 WeakPolarHBondContact O-CB 3.18Å; M34-E38 PolarHBondContact O-N 2.86Å; E38-G42 WeakPolarHBondContact O-CA 3.49Å; E38-G42 PolarHBondContact O-N 2.95Å |
| 39 | S | 47.4 | Very low | 50.1 | Low | 73 Ų | 73 | 113 Ų | 113 | 51% | 0.51 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -77.4 | -23.7 | 168.6 | 79.5 | 0 | 0 | 0 | 0 | 113.3 | A35 R36 I37 | A35-S39 VanDerWaalsContact O-CB 3.29Å; A35-S39 WeakPolarHBondContact O-CB 3.33Å; A35-S39 PolarHBondContact O-N 3.48Å; R36-S39 WeakPolarHBondContact CA-OG 3.49Å; R36-S39 WeakPolarHBondContact O-CB 3.5Å; R36-S39 PolarHBondContact O-N 2.91Å; R36-S39 VanDerWaalsContact O-N 3.17Å; R36-S39 PolarHBondContact O-OG 2.94Å; I37-S39 PolarHBondContact O-N 3.31Å |
| 40 | Y | 47 | Very low | 51 | Low | 177 Ų | 177 | 114.5 Ų | 114.5 | 69% | 0.694 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -85.6 | -37.5 | 170.5 | -76.4 | -75.1 | 0 | 0 | 0 | 111.7 | R36 I37 G42 R43 | R36-Y40 HydrophobicContact CG-CE2 4.21Å; R36-Y40 WeakPolarHBondContact O-CD2 3.27Å; R36-Y40 PolarHBondContact O-N 2.6Å; R36-Y40 VanDerWaalsContact O-N 3.13Å; I37-Y40 CarbonylContact O-C 3.54Å; I37-Y40 WeakPolarHBondContact O-CA 3.21Å; I37-Y40 PolarHBondContact O-N 3.4Å; Y40-G42 VanDerWaalsContact C-N 3.34Å; Y40-R43 PolarHBondContact O-N 2.89Å |
| 41 | E | 47.1 | Very low | 51.9 | Low | 123 Ų | 123 | 110.5 Ų | 110.5 | 58% | 0.575 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -72 | -25.9 | 169.3 | -76.8 | -175 | 124.9 | 0 | 0 | 112.4 | I37 R43 E44 | I37-E41 PolarHBondContact O-N 3.39Å; E41-R43 PolarHBondContact O-N 3.4Å; E41-E44 WeakPolarHBondContact O-CA 3.41Å; E41-E44 WeakPolarHBondContact O-CB 3.33Å; E41-E44 PolarHBondContact O-N 3.42Å |
| 42 | G | 37.7 | Very low | 53.1 | Low | 43 Ų | 43 | 108.6 Ų | 108.6 | 44% | 0.443 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -11.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E38 Y40 | E38-G42 WeakPolarHBondContact O-CA 3.49Å; E38-G42 PolarHBondContact O-N 2.95Å; Y40-G42 VanDerWaalsContact C-N 3.34Å |
| 43 | R | 45 | Very low | 54.4 | Low | 233 Ų | 233 | 107 Ų | 107 | 88% | 0.879 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -12.5 | 168.9 | -146.4 | 179 | -162.9 | 176.8 | 4.2 | 112.7 | Y40 E41 K45 | Y40-R43 PolarHBondContact O-N 2.89Å; E41-R43 PolarHBondContact O-N 3.4Å; R43-K45 VanDerWaalsContact C-N 3.29Å; R43-K45 PolarHBondContact O-N 3.48Å |
| 44 | E | 46.2 | Very low | 55.7 | Low | 121 Ų | 121 | 105.9 Ų | 105.9 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | trans | -92.9 | 40 | 171.1 | -57.4 | -155.4 | 140.8 | 0 | 0 | 112.1 | E41 K46 | E41-E44 WeakPolarHBondContact O-CA 3.41Å; E41-E44 WeakPolarHBondContact O-CB 3.33Å; E41-E44 PolarHBondContact O-N 3.42Å; E44-K46 PolarHBondContact O-N 3Å | ||
| 45 | K | 45.6 | Very low | 56.9 | Low | 188 Ų | 188 | 100.9 Ų | 100.9 | 82% | 0.817 | 49% | 0.49 | S | S | * | . | trans | -61.8 | 94.1 | 157.1 | -77.5 | -174.7 | -179.2 | 176.3 | 0 | 107 | R43 G47 | R43-K45 VanDerWaalsContact C-N 3.29Å; R43-K45 PolarHBondContact O-N 3.48Å; K45-G47 PolarHBondContact O-N 2.94Å | ||
| 46 | K | 50.8 | Low | 58.3 | Low | 217 Ų | 217 | 100.7 Ų | 100.7 | 94% | 0.943 | 49% | 0.485 | S | S | * | . | trans | -22.7 | 66.6 | 170 | -79.9 | 168.1 | 168.7 | 164.2 | 0 | 114.6 | E44 | E44-K46 PolarHBondContact O-N 3Š| ||
| 47 | G | 50.6 | Low | 59.7 | Low | 46 Ų | 46 | 98.1 Ų | 98.1 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | trans | -99.2 | 121 | 161.6 | 0 | 0 | 0 | 0 | 0 | 105 | K45 S49 | K45-G47 PolarHBondContact O-N 2.94Å; G47-S49 PolarHBondContact O-N 2.8Å | ||
| 48 | I | 55.9 | Low | 61.1 | Low | 77 Ų | 77 | 96.6 Ų | 96.6 | 40% | 0.395 | 48% | 0.475 | S | S | . | . | trans | -35.7 | 131.4 | 161.3 | -176.1 | 159.3 | 0 | 0 | 0 | 109.5 | D50 R52 R53 Y115 | I48-D50 PolarHBondContact O-N 3.1Å; I48-R52 HydrophobicContact CD1-CB 3.96Å; I48-R52 HydrophobicContact CG1-CB 3.51Å; I48-R52 HydrophobicContact CG1-CG 4.49Å; I48-R53 HydrophobicContact CB-CG 4.43Å; I48-R53 HydrophobicContact CG1-CG 4.32Å; I48-R53 HydrophobicContact CG2-CG 3.4Å; I48-R53 VanDerWaalsContact CG2-CG 3.4Å; I48-R53 PolarHBondContact O-NE 3.15Å; I48-R53 PolarHBondContact O-NH1 2.97Å; I48-R53 PolarHBondContact O-NH2 2.76Å; I48-R53 VanDerWaalsContact O-NH2 3.12Å; I48-Y115 WeakPolarHBondContact CD1-OH 3.32Å | ||
| 49 | S | 65.3 | Low | 62.8 | Low | 25 Ų | 25 | 90.3 Ų | 90.3 | 18% | 0.175 | 45% | 0.445 | C | S | . | . | trans | -54.4 | 143.6 | -178.6 | 54.3 | 0 | 0 | 0 | 0 | 109.5 | G47 V51 R52 R53 E179 | G47-S49 PolarHBondContact O-N 2.8Å; S49-V51 PolarHBondContact O-N 3.47Å; S49-V51 VanDerWaalsContact O-N 3.1Å; S49-R52 WeakPolarHBondContact O-CB 3.16Å; S49-R52 PolarHBondContact O-N 3.33Å; S49-R52 WeakPolarHBondContact OG-CD 3.41Å; S49-R52 WeakPolarHBondContact OG-CG 3.49Å; S49-R52 PolarHBondContact OG-NE 3.34Å; S49-R53 PolarHBondContact O-N 3.41Å; S49-E179 WeakPolarHBondContact CB-OE1 3.32Å; S49-E179 PolarHBondContact OG-OE1 2.85Å | ||
| 50 | D | 66.9 | Low | 64.7 | Low | 113 Ų | 113 | 89.2 Ų | 89.2 | 60% | 0.604 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -54.6 | -34.1 | -178.1 | -80.6 | -32.9 | 0 | 0 | 0 | 111.9 | I48 R52 R53 T54 | I48-D50 PolarHBondContact O-N 3.1Å; D50-R52 PolarHBondContact O-N 2.94Å; D50-R53 WeakPolarHBondContact O-CB 3.28Å; D50-R53 PolarHBondContact O-N 3.33Å; D50-R53 IonicContact OD1-CZ 3.26Å; D50-R53 VanDerWaalsContact OD1-CZ 3.22Å; D50-R53 IonicContact OD1-NE 2.77Å; D50-R53 PolarHBondContact OD1-NE 2.87Å; D50-R53 IonicContact OD1-NH2 2.72Å; D50-R53 PolarHBondContact OD1-NH2 3.31Å; D50-T54 PolarHBondContact O-N 2.95Å; D50-T54 PolarHBondContact O-OG1 3.01Å; D50-T54 VanDerWaalsContact O-OG1 3.06Å |
| 51 | V | 70.7 | Confident | 66.7 | Low | 9 Ų | 9 | 85.7 Ų | 85.7 | 6% | 0.055 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -56.2 | -46.6 | 173.9 | -174.4 | 0 | 0 | 0 | 0 | 112.1 | S49 T54 F55 V175 Q178 E179 | S49-V51 PolarHBondContact O-N 3.47Å; S49-V51 VanDerWaalsContact O-N 3.1Å; V51-T54 PolarHBondContact O-N 3.29Å; V51-F55 WeakPolarHBondContact O-CB 3.47Å; V51-F55 PolarHBondContact O-N 3.46Å; V51-V175 HydrophobicContact CG1-CB 3.76Å; V51-V175 HydrophobicContact CG1-CG1 3.61Å; V51-V175 HydrophobicContact CG1-CG2 3.59Å; V51-Q178 HydrophobicContact CG2-CB 4.29Å; V51-Q178 VanDerWaalsContact CG2-CD 3.46Å; V51-Q178 HydrophobicContact CG2-CG 3.91Å; V51-E179 HydrophobicContact CB-CG 4.44Å; V51-E179 WeakPolarHBondContact CB-OE1 3.35Å; V51-E179 HydrophobicContact CG1-CG 3.97Å |
| 52 | R | 74.1 | Confident | 68.7 | Low | 60 Ų | 60 | 80 Ų | 80 | 23% | 0.226 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -71.8 | -30.7 | 179.9 | -66.8 | 173 | -170.9 | -172.8 | 7.6 | 112.8 | I48 S49 D50 C56 Y115 E179 | I48-R52 HydrophobicContact CD1-CB 3.96Å; I48-R52 HydrophobicContact CG1-CB 3.51Å; I48-R52 HydrophobicContact CG1-CG 4.49Å; S49-R52 WeakPolarHBondContact O-CB 3.16Å; S49-R52 PolarHBondContact O-N 3.33Å; S49-R52 WeakPolarHBondContact OG-CD 3.41Å; S49-R52 WeakPolarHBondContact OG-CG 3.49Å; S49-R52 PolarHBondContact OG-NE 3.34Å; D50-R52 PolarHBondContact O-N 2.94Å; R52-C56 WeakPolarHBondContact O-CB 3.19Å; R52-C56 PolarHBondContact O-N 3.16Å; R52-Y115 HydrophobicContact CB-CE2 4.12Å; R52-Y115 WeakPolarHBondContact CD-OH 3.26Å; R52-Y115 HydrophobicContact CG-CE2 3.85Å; R52-E179 WeakPolarHBondContact CG-OE1 3.44Å; R52-E179 IonicContact CZ-OE2 3.53Å; R52-E179 VanDerWaalsContact CZ-OE2 3.26Å; R52-E179 IonicContact NE-OE1 3.78Å; R52-E179 PolarHBondContact NE-OE1 3.36Å; R52-E179 IonicContact NE-OE2 2.88Å; R52-E179 PolarHBondContact NE-OE2 2.81Å; R52-E179 IonicContact NH2-OE2 3.2Å; R52-E179 PolarHBondContact NH2-OE2 3.42Å |
| 53 | R | 78.8 | Confident | 71.2 | Confident | 110 Ų | 110 | 79.4 Ų | 79.4 | 42% | 0.415 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.6 | -47.5 | 171.8 | -66.7 | -170.6 | -97 | -112.4 | -1.3 | 110.7 | I48 S49 D50 F55 C56 L57 | I48-R53 HydrophobicContact CB-CG 4.43Å; I48-R53 HydrophobicContact CG1-CG 4.32Å; I48-R53 HydrophobicContact CG2-CG 3.4Å; I48-R53 VanDerWaalsContact CG2-CG 3.4Å; I48-R53 PolarHBondContact O-NE 3.15Å; I48-R53 PolarHBondContact O-NH1 2.97Å; I48-R53 PolarHBondContact O-NH2 2.76Å; I48-R53 VanDerWaalsContact O-NH2 3.12Å; S49-R53 PolarHBondContact O-N 3.41Å; D50-R53 WeakPolarHBondContact O-CB 3.28Å; D50-R53 PolarHBondContact O-N 3.33Å; D50-R53 IonicContact OD1-CZ 3.26Å; D50-R53 VanDerWaalsContact OD1-CZ 3.22Å; D50-R53 IonicContact OD1-NE 2.77Å; D50-R53 PolarHBondContact OD1-NE 2.87Å; D50-R53 IonicContact OD1-NH2 2.72Å; D50-R53 PolarHBondContact OD1-NH2 3.31Å; R53-F55 VanDerWaalsContact C-N 3.32Å; R53-F55 PolarHBondContact O-N 3.38Å; R53-C56 PolarHBondContact O-N 2.96Å; R53-L57 VanDerWaalsContact O-CB 3.28Å; R53-L57 WeakPolarHBondContact O-CB 3.23Å; R53-L57 PolarHBondContact O-N 2.89Å |
| 54 | T | 79.8 | Confident | 73.4 | Confident | 68 Ų | 68 | 73.5 Ų | 73.5 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65 | -38.4 | 178 | -51.2 | 0 | 0 | 0 | 0 | 111.5 | D50 V51 L57 F58 F170 | D50-T54 PolarHBondContact O-N 2.95Å; D50-T54 PolarHBondContact O-OG1 3.01Å; D50-T54 VanDerWaalsContact O-OG1 3.06Å; V51-T54 PolarHBondContact O-N 3.29Å; T54-L57 PolarHBondContact O-N 2.87Å; T54-F58 WeakPolarHBondContact O-CB 3.26Å; T54-F58 PolarHBondContact O-N 3.31Å; T54-F170 HydrophobicContact CG2-CE1 3.85Å; T54-F170 HydrophobicContact CG2-CZ 3.56Å |
| 55 | F | 79.1 | Confident | 75.5 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.018 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55.6 | -58.3 | 171.8 | 169.2 | -106.6 | 0 | 0 | 0 | 112.1 | V51 R53 L57 F58 V59 L111 Y115 L171 | V51-F55 WeakPolarHBondContact O-CB 3.47Å; V51-F55 PolarHBondContact O-N 3.46Å; R53-F55 VanDerWaalsContact C-N 3.32Å; R53-F55 PolarHBondContact O-N 3.38Å; F55-L57 VanDerWaalsContact C-N 3.25Å; F55-L57 PolarHBondContact O-N 2.92Å; F55-F58 PolarHBondContact O-N 2.97Å; F55-F58 VanDerWaalsContact O-N 3.1Å; F55-V59 HydrophobicContact CD1-CG2 4.5Å; F55-V59 HydrophobicContact CD2-CG2 3.96Å; F55-V59 HydrophobicContact CE1-CG2 4.1Å; F55-V59 HydrophobicContact CE2-CG2 3.53Å; F55-V59 HydrophobicContact CG-CG2 4.45Å; F55-V59 HydrophobicContact CZ-CG2 3.62Å; F55-V59 VanDerWaalsContact O-CG2 3.31Å; F55-V59 WeakPolarHBondContact O-CG2 3.4Å; F55-V59 PolarHBondContact O-N 3.48Å; F55-L111 HydrophobicContact CE2-CD2 4.32Å; F55-L111 HydrophobicContact CZ-CB 4.4Å; F55-L111 HydrophobicContact CZ-CD2 4.46Å; F55-Y115 AromaticContact CD1-CD2 3.7Å; F55-Y115 HydrophobicContact CD1-CD2 3.7Å; F55-Y115 HydrophobicContact CD1-CE2 4.08Å; F55-Y115 HydrophobicContact CD1-CG 4.27Å; F55-Y115 AromaticContact CE1-CD2 3.52Å; F55-Y115 HydrophobicContact CE1-CD2 3.52Å; F55-Y115 HydrophobicContact CE1-CE2 4.34Å; F55-Y115 AromaticContact CE1-CG 3.73Å; F55-Y115 HydrophobicContact CE1-CG 3.73Å; F55-Y115 HydrophobicContact CZ-CD2 4.47Å; F55-L171 HydrophobicContact CD2-CD2 3.07Å; F55-L171 HydrophobicContact CD2-CG 4.46Å; F55-L171 HydrophobicContact CE2-CD1 4.13Å; F55-L171 HydrophobicContact CE2-CD2 3.16Å; F55-L171 HydrophobicContact CE2-CG 4.28Å; F55-L171 HydrophobicContact CG-CD2 4.37Å |
| 56 | C | 78.2 | Confident | 77.6 | Confident | 51 Ų | 51 | 61.9 Ų | 61.9 | 35% | 0.345 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.4 | -37.8 | -177.6 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | R52 R53 T60 | R52-C56 WeakPolarHBondContact O-CB 3.19Å; R52-C56 PolarHBondContact O-N 3.16Å; R53-C56 PolarHBondContact O-N 2.96Å; C56-T60 VanDerWaalsContact O-CB 3.28Å; C56-T60 WeakPolarHBondContact O-CB 3.32Å; C56-T60 PolarHBondContact O-N 2.81Å; C56-T60 PolarHBondContact O-OG1 2.91Å |
| 57 | L | 84.1 | Confident | 79.5 | Confident | 121 Ų | 121 | 53 Ų | 53 | 63% | 0.634 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.1 | -44.6 | 175.4 | -170.1 | 152 | 0 | 0 | 0 | 111.1 | R53 T54 F55 T60 F61 | R53-L57 VanDerWaalsContact O-CB 3.28Å; R53-L57 WeakPolarHBondContact O-CB 3.23Å; R53-L57 PolarHBondContact O-N 2.89Å; T54-L57 PolarHBondContact O-N 2.87Å; F55-L57 VanDerWaalsContact C-N 3.25Å; F55-L57 PolarHBondContact O-N 2.92Å; L57-T60 PolarHBondContact O-N 3.3Å; L57-F61 WeakPolarHBondContact O-CB 3.32Å; L57-F61 PolarHBondContact O-N 3.43Å |
| 58 | F | 83.8 | Confident | 81.4 | Confident | 36 Ų | 36 | 55 Ų | 55 | 16% | 0.158 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.4 | -47.1 | 178.9 | -165.7 | -78.8 | 0 | 0 | 0 | 112.1 | T54 F55 T60 F61 D62 I166 E167 | T54-F58 WeakPolarHBondContact O-CB 3.26Å; T54-F58 PolarHBondContact O-N 3.31Å; F55-F58 PolarHBondContact O-N 2.97Å; F55-F58 VanDerWaalsContact O-N 3.1Å; F58-T60 VanDerWaalsContact C-N 3.29Å; F58-T60 PolarHBondContact O-N 2.85Å; F58-F61 PolarHBondContact O-N 3.32Å; F58-D62 PolarHBondContact O-N 2.92Å; F58-I166 HydrophobicContact CE2-CG2 3.98Å; F58-I166 HydrophobicContact CZ-CB 4.24Å; F58-I166 HydrophobicContact CZ-CG2 3.59Å; F58-E167 HydrophobicContact CD1-CB 3.97Å; F58-E167 HydrophobicContact CD1-CG 3.7Å; F58-E167 HydrophobicContact CE1-CB 3.43Å; F58-E167 VanDerWaalsContact CE1-CB 3.43Å; F58-E167 HydrophobicContact CE1-CG 3.73Å; F58-E167 HydrophobicContact CZ-CB 4.41Å |
| 59 | V | 84.3 | Confident | 82.9 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 177.5 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | F55 L63 F108 L111 I112 E167 | F55-V59 HydrophobicContact CD1-CG2 4.5Å; F55-V59 HydrophobicContact CD2-CG2 3.96Å; F55-V59 HydrophobicContact CE1-CG2 4.1Å; F55-V59 HydrophobicContact CE2-CG2 3.53Å; F55-V59 HydrophobicContact CG-CG2 4.45Å; F55-V59 HydrophobicContact CZ-CG2 3.62Å; F55-V59 VanDerWaalsContact O-CG2 3.31Å; F55-V59 WeakPolarHBondContact O-CG2 3.4Å; F55-V59 PolarHBondContact O-N 3.48Å; V59-L63 PolarHBondContact O-N 3.38Å; V59-F108 HydrophobicContact CG1-CD2 3.58Å; V59-F108 HydrophobicContact CG1-CE2 4.03Å; V59-F108 HydrophobicContact CG1-CG 4.41Å; V59-L111 HydrophobicContact CG1-CB 4.19Å; V59-L111 HydrophobicContact CG2-CB 4.38Å; V59-L111 HydrophobicContact CG2-CD2 3.79Å; V59-I112 HydrophobicContact CG1-CD1 4.24Å; V59-I112 HydrophobicContact CG1-CG1 4.32Å; V59-E167 VanDerWaalsContact CA-OE1 3.31Å; V59-E167 WeakPolarHBondContact CA-OE1 3.37Å; V59-E167 VanDerWaalsContact CG2-OE1 3.25Å; V59-E167 WeakPolarHBondContact CG2-OE1 3.33Å |
| 60 | T | 88.4 | Confident | 83.9 | Confident | 51 Ų | 51 | 52.6 Ų | 52.6 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -72.4 | -41.1 | 177.6 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | C56 L57 F58 D62 L63 L64 | C56-T60 VanDerWaalsContact O-CB 3.28Å; C56-T60 WeakPolarHBondContact O-CB 3.32Å; C56-T60 PolarHBondContact O-N 2.81Å; C56-T60 PolarHBondContact O-OG1 2.91Å; L57-T60 PolarHBondContact O-N 3.3Å; F58-T60 VanDerWaalsContact C-N 3.29Å; F58-T60 PolarHBondContact O-N 2.85Å; T60-D62 VanDerWaalsContact C-N 3.33Å; T60-D62 PolarHBondContact O-N 3.42Å; T60-L63 PolarHBondContact O-N 3.43Å; T60-L64 HydrophobicContact CG2-CD1 4.18Å; T60-L64 HydrophobicContact CG2-CG 4.44Å; T60-L64 VanDerWaalsContact O-CG 3.31Å; T60-L64 WeakPolarHBondContact O-CG 3.32Å; T60-L64 PolarHBondContact O-N 3.32Å |
| 61 | F | 88.9 | Confident | 84.8 | Confident | 103 Ų | 103 | 50.8 Ų | 50.8 | 45% | 0.452 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 177.3 | 172.4 | -100.4 | 0 | 0 | 0 | 111.9 | L57 F58 L64 F65 | L57-F61 WeakPolarHBondContact O-CB 3.32Å; L57-F61 PolarHBondContact O-N 3.43Å; F58-F61 PolarHBondContact O-N 3.32Å; F61-L64 PolarHBondContact O-N 2.84Å; F61-F65 HydrophobicContact CE1-CB 4.49Å; F61-F65 HydrophobicContact CZ-CB 4.37Å; F61-F65 HydrophobicContact CZ-CG 4.39Å; F61-F65 VanDerWaalsContact O-CB 3.26Å; F61-F65 WeakPolarHBondContact O-CB 3.34Å; F61-F65 PolarHBondContact O-N 3.48Å |
| 62 | D | 89.2 | Confident | 85.5 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.8 | -53.5 | 174.7 | 174.2 | 71.7 | 0 | 0 | 0 | 112.3 | F58 T60 L64 F65 V66 R107 L163 | F58-D62 PolarHBondContact O-N 2.92Å; T60-D62 VanDerWaalsContact C-N 3.33Å; T60-D62 PolarHBondContact O-N 3.42Å; D62-L64 VanDerWaalsContact C-N 3.29Å; D62-L64 PolarHBondContact O-N 3.3Å; D62-F65 PolarHBondContact O-N 2.81Å; D62-F65 VanDerWaalsContact O-N 3.17Å; D62-V66 WeakPolarHBondContact O-CG2 3.25Å; D62-V66 PolarHBondContact O-N 2.94Å; D62-R107 IonicContact OD1-CZ 2.52Å; D62-R107 IonicContact OD1-NH2 3.22Å; D62-R107 PolarHBondContact OD1-NH2 3.5Å; D62-R107 IonicContact OD2-CZ 3.43Å; D62-R107 IonicContact OD2-NE 2.91Å; D62-R107 PolarHBondContact OD2-NE 3.45Å; D62-R107 IonicContact OD2-NH2 2.66Å; D62-R107 PolarHBondContact OD2-NH2 3.47Å; D62-L163 WeakPolarHBondContact OD1-CB 3.49Å; D62-L163 WeakPolarHBondContact OD1-CD1 3.15Å |
| 63 | L | 90.4 | Very high | 85.8 | Confident | 30 Ų | 30 | 51 Ų | 51 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57 | -46.9 | 178.8 | 179.1 | 68.9 | 0 | 0 | 0 | 110.7 | V59 T60 F65 T67 A104 V105 F108 | V59-L63 PolarHBondContact O-N 3.38Å; T60-L63 PolarHBondContact O-N 3.43Å; L63-F65 VanDerWaalsContact C-N 3.33Å; L63-F65 PolarHBondContact O-N 3.13Å; L63-T67 VanDerWaalsContact O-CB 3.26Å; L63-T67 WeakPolarHBondContact O-CB 3.39Å; L63-T67 PolarHBondContact O-N 2.85Å; L63-T67 PolarHBondContact O-OG1 2.81Å; L63-A104 HydrophobicContact CD1-CB 4.1Å; L63-V105 HydrophobicContact CD1-CB 4.39Å; L63-V105 HydrophobicContact CD1-CG2 3.78Å; L63-F108 HydrophobicContact CB-CB 4.4Å; L63-F108 HydrophobicContact CB-CD2 4.17Å; L63-F108 HydrophobicContact CD1-CB 4.37Å; L63-F108 HydrophobicContact CD2-CB 4.18Å; L63-F108 HydrophobicContact CD2-CD1 4.21Å; L63-F108 HydrophobicContact CD2-CD2 3.94Å; L63-F108 HydrophobicContact CD2-CE2 4.41Å; L63-F108 HydrophobicContact CD2-CG 3.84Å |
| 64 | L | 91.4 | Very high | 85.9 | Confident | 110 Ų | 110 | 45.9 Ų | 45.9 | 58% | 0.576 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.2 | -41.6 | 179.5 | -71.2 | 176.9 | 0 | 0 | 0 | 111.8 | T60 F61 D62 T67 L68 | T60-L64 HydrophobicContact CG2-CD1 4.18Å; T60-L64 HydrophobicContact CG2-CG 4.44Å; T60-L64 VanDerWaalsContact O-CG 3.31Å; T60-L64 WeakPolarHBondContact O-CG 3.32Å; T60-L64 PolarHBondContact O-N 3.32Å; F61-L64 PolarHBondContact O-N 2.84Å; D62-L64 VanDerWaalsContact C-N 3.29Å; D62-L64 PolarHBondContact O-N 3.3Å; L64-T67 PolarHBondContact O-N 3.1Å; L64-L68 VanDerWaalsContact O-CB 3.28Å; L64-L68 WeakPolarHBondContact O-CB 3.48Å; L64-L68 PolarHBondContact O-N 3.13Å |
| 65 | F | 90.4 | Very high | 86 | Confident | 63 Ų | 63 | 47.4 Ų | 47.4 | 28% | 0.276 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -73.1 | -41.1 | -176.9 | -172.3 | -124.5 | 0 | 0 | 0 | 112 | F61 D62 L63 T67 L68 L69 I159 L163 | F61-F65 HydrophobicContact CE1-CB 4.49Å; F61-F65 HydrophobicContact CZ-CB 4.37Å; F61-F65 HydrophobicContact CZ-CG 4.39Å; F61-F65 VanDerWaalsContact O-CB 3.26Å; F61-F65 WeakPolarHBondContact O-CB 3.34Å; F61-F65 PolarHBondContact O-N 3.48Å; D62-F65 PolarHBondContact O-N 2.81Å; D62-F65 VanDerWaalsContact O-N 3.17Å; L63-F65 VanDerWaalsContact C-N 3.33Å; L63-F65 PolarHBondContact O-N 3.13Å; F65-T67 VanDerWaalsContact C-N 3.33Å; F65-T67 PolarHBondContact O-N 2.8Å; F65-L68 HydrophobicContact CD2-CD2 4.48Å; F65-L68 PolarHBondContact O-N 3.18Å; F65-L69 HydrophobicContact CD1-CD1 4.25Å; F65-L69 HydrophobicContact CE1-CD1 3.9Å; F65-L69 HydrophobicContact CE2-CD1 4.45Å; F65-L69 HydrophobicContact CE2-CG 4.43Å; F65-L69 HydrophobicContact CZ-CD1 3.99Å; F65-L69 HydrophobicContact CZ-CG 4.41Å; F65-L69 WeakPolarHBondContact O-CG 3.49Å; F65-L69 PolarHBondContact O-N 2.71Å; F65-I159 HydrophobicContact CD1-CG2 4.12Å; F65-I159 HydrophobicContact CE1-CG2 3.39Å; F65-I159 HydrophobicContact CZ-CG2 4.2Å; F65-L163 HydrophobicContact CD1-CD1 3.45Å; F65-L163 VanDerWaalsContact CD1-CD1 3.45Å; F65-L163 HydrophobicContact CD1-CD2 3.94Å; F65-L163 HydrophobicContact CD1-CG 4.21Å; F65-L163 HydrophobicContact CE1-CD1 4.04Å; F65-L163 HydrophobicContact CE1-CD2 4.29Å |
| 66 | V | 89.7 | Confident | 86 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 171.5 | 175.6 | 0 | 0 | 0 | 0 | 111 | D62 L68 L69 W70 I100 A104 L163 | D62-V66 WeakPolarHBondContact O-CG2 3.25Å; D62-V66 PolarHBondContact O-N 2.94Å; V66-L68 PolarHBondContact O-N 3.4Å; V66-L69 PolarHBondContact O-N 3.42Å; V66-W70 WeakPolarHBondContact O-CB 3.3Å; V66-W70 PolarHBondContact O-N 2.81Å; V66-I100 HydrophobicContact CG1-CG2 4.19Å; V66-A104 HydrophobicContact CB-CB 3.92Å; V66-A104 HydrophobicContact CG1-CB 3.71Å; V66-A104 HydrophobicContact CG2-CB 4.23Å; V66-L163 HydrophobicContact CG2-CD1 3.85Å |
| 67 | T | 89.6 | Confident | 85.6 | Confident | 31 Ų | 31 | 52.1 Ų | 52.1 | 19% | 0.19 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 175.8 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | L63 L64 F65 W70 I71 F101 | L63-T67 VanDerWaalsContact O-CB 3.26Å; L63-T67 WeakPolarHBondContact O-CB 3.39Å; L63-T67 PolarHBondContact O-N 2.85Å; L63-T67 PolarHBondContact O-OG1 2.81Å; L64-T67 PolarHBondContact O-N 3.1Å; F65-T67 VanDerWaalsContact C-N 3.33Å; F65-T67 PolarHBondContact O-N 2.8Å; T67-W70 PolarHBondContact O-N 3.1Å; T67-I71 HydrophobicContact CG2-CD1 3.91Å; T67-I71 VanDerWaalsContact O-CG1 3.3Å; T67-I71 WeakPolarHBondContact O-CG1 3.27Å; T67-I71 PolarHBondContact O-N 3.25Å; T67-F101 HydrophobicContact CG2-CD2 4.27Å; T67-F101 HydrophobicContact CG2-CE2 3.83Å; T67-F101 WeakPolarHBondContact OG1-CE2 3.5Å |
| 68 | L | 90.9 | Very high | 84.9 | Confident | 87 Ų | 87 | 49.4 Ų | 49.4 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 177.8 | 178.9 | 66.1 | 0 | 0 | 0 | 111.2 | L64 F65 V66 W70 I71 I72 | L64-L68 VanDerWaalsContact O-CB 3.28Å; L64-L68 WeakPolarHBondContact O-CB 3.48Å; L64-L68 PolarHBondContact O-N 3.13Å; F65-L68 HydrophobicContact CD2-CD2 4.48Å; F65-L68 PolarHBondContact O-N 3.18Å; V66-L68 PolarHBondContact O-N 3.4Å; L68-W70 VanDerWaalsContact C-N 3.3Å; L68-W70 PolarHBondContact O-N 3Å; L68-I71 PolarHBondContact O-N 3.29Å; L68-I72 HydrophobicContact CD1-CD1 4.06Å; L68-I72 HydrophobicContact CD1-CG1 4.4Å; L68-I72 HydrophobicContact CD2-CD1 4.49Å; L68-I72 HydrophobicContact CG-CD1 3.84Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.47Å; L68-I72 PolarHBondContact O-N 3.46Å |
| 69 | L | 87.9 | Confident | 84.3 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 177.2 | -71.7 | 171.2 | 0 | 0 | 0 | 111.6 | F65 V66 I72 E73 L156 I159 | F65-L69 HydrophobicContact CD1-CD1 4.25Å; F65-L69 HydrophobicContact CE1-CD1 3.9Å; F65-L69 HydrophobicContact CE2-CD1 4.45Å; F65-L69 HydrophobicContact CE2-CG 4.43Å; F65-L69 HydrophobicContact CZ-CD1 3.99Å; F65-L69 HydrophobicContact CZ-CG 4.41Å; F65-L69 WeakPolarHBondContact O-CG 3.49Å; F65-L69 PolarHBondContact O-N 2.71Å; V66-L69 PolarHBondContact O-N 3.42Å; L69-I72 PolarHBondContact O-N 3.43Å; L69-E73 WeakPolarHBondContact O-CB 3.39Å; L69-E73 PolarHBondContact O-N 3.09Å; L69-L156 HydrophobicContact CB-CD1 4.32Å; L69-L156 HydrophobicContact CB-CG 4.28Å; L69-I159 HydrophobicContact CD1-CB 3.94Å; L69-I159 HydrophobicContact CD1-CG2 3.45Å; L69-I159 VanDerWaalsContact CD1-CG2 3.45Å |
| 70 | W | 86.4 | Confident | 83.8 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 174.5 | 178.5 | 54.1 | 0 | 0 | 0 | 112.5 | V66 T67 L68 I72 E73 L74 E87 F98 F101 L156 | V66-W70 WeakPolarHBondContact O-CB 3.3Å; V66-W70 PolarHBondContact O-N 2.81Å; T67-W70 PolarHBondContact O-N 3.1Å; L68-W70 VanDerWaalsContact C-N 3.3Å; L68-W70 PolarHBondContact O-N 3Å; W70-I72 VanDerWaalsContact C-N 3.35Å; W70-I72 PolarHBondContact O-N 3.01Å; W70-E73 WeakPolarHBondContact O-CB 3.47Å; W70-E73 PolarHBondContact O-N 2.95Å; W70-L74 HydrophobicContact CD2-CD1 4.12Å; W70-L74 HydrophobicContact CH2-CD1 4.29Å; W70-L74 HydrophobicContact CZ2-CD1 3.82Å; W70-L74 VanDerWaalsContact O-CG 3.31Å; W70-L74 WeakPolarHBondContact O-CG 3.27Å; W70-L74 PolarHBondContact O-N 3.45Å; W70-E87 PolarHBondContact NE1-OE2 2.93Å; W70-F98 HydrophobicContact CH2-CD2 4.5Å; W70-F98 HydrophobicContact CZ2-CD2 4.12Å; W70-F101 HydrophobicContact CD2-CB 4Å; W70-F101 HydrophobicContact CD2-CD2 4.48Å; W70-F101 HydrophobicContact CD2-CG 4.15Å; W70-F101 HydrophobicContact CE3-CB 4.16Å; W70-F101 HydrophobicContact CE3-CD1 4.25Å; W70-F101 AromaticContact CE3-CD2 3.83Å; W70-F101 HydrophobicContact CE3-CD2 3.83Å; W70-F101 HydrophobicContact CE3-CE2 4.3Å; W70-F101 AromaticContact CE3-CG 3.79Å; W70-F101 HydrophobicContact CE3-CG 3.79Å; W70-F101 HydrophobicContact CG-CB 4.19Å; W70-F101 HydrophobicContact CH2-CD1 4.34Å; W70-F101 HydrophobicContact CZ3-CD1 4.05Å; W70-F101 HydrophobicContact CZ3-CD2 4.23Å; W70-F101 HydrophobicContact CZ3-CE1 4.19Å; W70-F101 HydrophobicContact CZ3-CE2 4.36Å; W70-F101 HydrophobicContact CZ3-CG 4.07Å; W70-F101 HydrophobicContact CZ3-CZ 4.34Å; W70-L156 VanDerWaalsContact CA-CD1 3.46Å; W70-L156 HydrophobicContact CB-CD1 4.06Å |
| 71 | I | 84.6 | Confident | 82.9 | Confident | 75 Ų | 75 | 57.9 Ų | 57.9 | 39% | 0.385 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 176.6 | -67.6 | 168.6 | 0 | 0 | 0 | 111.9 | T67 L68 L74 N75 | T67-I71 HydrophobicContact CG2-CD1 3.91Å; T67-I71 VanDerWaalsContact O-CG1 3.3Å; T67-I71 WeakPolarHBondContact O-CG1 3.27Å; T67-I71 PolarHBondContact O-N 3.25Å; L68-I71 PolarHBondContact O-N 3.29Å; I71-L74 WeakPolarHBondContact O-CB 3.45Å; I71-L74 PolarHBondContact O-N 2.84Å; I71-N75 WeakPolarHBondContact O-CB 2.83Å; I71-N75 PolarHBondContact O-N 3.46Å |
| 72 | I | 85.9 | Confident | 81.8 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 34% | 0.344 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 177.1 | -68.3 | 166.5 | 0 | 0 | 0 | 110.6 | L68 L69 W70 L74 N75 V76 | L68-I72 HydrophobicContact CD1-CD1 4.06Å; L68-I72 HydrophobicContact CD1-CG1 4.4Å; L68-I72 HydrophobicContact CD2-CD1 4.49Å; L68-I72 HydrophobicContact CG-CD1 3.84Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.47Å; L68-I72 PolarHBondContact O-N 3.46Å; L69-I72 PolarHBondContact O-N 3.43Å; W70-I72 VanDerWaalsContact C-N 3.35Å; W70-I72 PolarHBondContact O-N 3.01Å; I72-L74 VanDerWaalsContact C-N 3.33Å; I72-L74 PolarHBondContact O-N 3.2Å; I72-N75 WeakPolarHBondContact O-CB 3.5Å; I72-N75 PolarHBondContact O-N 3.34Å; I72-N75 VanDerWaalsContact O-N 3.09Å; I72-V76 HydrophobicContact CG2-CG2 4.36Å; I72-V76 WeakPolarHBondContact O-CG2 3.23Å; I72-V76 PolarHBondContact O-N 3.34Å |
| 73 | E | 80.7 | Confident | 80.7 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 3% | 0.033 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 174.7 | -169 | 73.7 | -172.6 | 0 | 0 | 111.1 | L69 W70 N75 V76 N77 Y97 F152 G153 L156 | L69-E73 WeakPolarHBondContact O-CB 3.39Å; L69-E73 PolarHBondContact O-N 3.09Å; W70-E73 WeakPolarHBondContact O-CB 3.47Å; W70-E73 PolarHBondContact O-N 2.95Å; E73-N75 VanDerWaalsContact C-N 3.26Å; E73-N75 PolarHBondContact O-N 3.29Å; E73-V76 PolarHBondContact O-N 3.07Å; E73-N77 PolarHBondContact O-N 3.17Å; E73-N77 VanDerWaalsContact O-N 3.07Å; E73-Y97 HydrophobicContact CG-CD2 3.74Å; E73-Y97 HydrophobicContact CG-CE2 3.44Å; E73-Y97 VanDerWaalsContact CG-CE2 3.44Å; E73-Y97 HydrophobicContact CG-CG 4.47Å; E73-Y97 WeakPolarHBondContact OE1-CE2 3.49Å; E73-Y97 PolarHBondContact OE1-OH 3.27Å; E73-F152 WeakPolarHBondContact OE2-CB 3.19Å; E73-G153 WeakPolarHBondContact OE1-CA 3.35Å; E73-G153 PolarHBondContact OE1-N 2.91Å; E73-L156 HydrophobicContact CB-CD1 4.03Å; E73-L156 HydrophobicContact CG-CD1 4.41Å |
| 74 | L | 79.4 | Confident | 79.6 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.2 | -36.6 | 174.4 | -72.8 | 176.6 | 0 | 0 | 0 | 112.5 | W70 I71 I72 G79 T83 L84 E87 | W70-L74 HydrophobicContact CD2-CD1 4.12Å; W70-L74 HydrophobicContact CH2-CD1 4.29Å; W70-L74 HydrophobicContact CZ2-CD1 3.82Å; W70-L74 VanDerWaalsContact O-CG 3.31Å; W70-L74 WeakPolarHBondContact O-CG 3.27Å; W70-L74 PolarHBondContact O-N 3.45Å; I71-L74 WeakPolarHBondContact O-CB 3.45Å; I71-L74 PolarHBondContact O-N 2.84Å; I72-L74 VanDerWaalsContact C-N 3.33Å; I72-L74 PolarHBondContact O-N 3.2Å; L74-G79 CarbonylContact O-C 3.09Å; L74-T83 HydrophobicContact CD2-CG2 3.45Å; L74-T83 VanDerWaalsContact CD2-CG2 3.45Å; L74-L84 HydrophobicContact CD1-CD1 4.31Å; L74-E87 HydrophobicContact CD2-CG 4.41Å; L74-E87 WeakPolarHBondContact CD2-OE2 3.31Å |
| 75 | N | 82.8 | Confident | 78.4 | Confident | 101 Ų | 101 | 61.1 Ų | 61.1 | 54% | 0.54 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.9 | -42.9 | 178.7 | -172.4 | -101.7 | 0 | 0 | 0 | 112 | I71 I72 E73 | I71-N75 WeakPolarHBondContact O-CB 2.83Å; I71-N75 PolarHBondContact O-N 3.46Å; I72-N75 WeakPolarHBondContact O-CB 3.5Å; I72-N75 PolarHBondContact O-N 3.34Å; I72-N75 VanDerWaalsContact O-N 3.09Å; E73-N75 VanDerWaalsContact C-N 3.26Å; E73-N75 PolarHBondContact O-N 3.29Å |
| 76 | V | 78.6 | Confident | 77.2 | Confident | 79 Ų | 79 | 64.8 Ų | 64.8 | 48% | 0.479 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.7 | -31.1 | -178.1 | 172.4 | 0 | 0 | 0 | 0 | 112.3 | I72 E73 G78 | I72-V76 HydrophobicContact CG2-CG2 4.36Å; I72-V76 WeakPolarHBondContact O-CG2 3.23Å; I72-V76 PolarHBondContact O-N 3.34Å; E73-V76 PolarHBondContact O-N 3.07Å; V76-G78 PolarHBondContact O-N 2.83Å |
| 77 | N | 71.2 | Confident | 76 | Confident | 74 Ų | 74 | 65.3 Ų | 65.3 | 40% | 0.396 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 7.7 | -178.5 | -89.8 | 21.3 | 0 | 0 | 0 | 115.8 | E73 T83 | E73-N77 PolarHBondContact O-N 3.17Å; E73-N77 VanDerWaalsContact O-N 3.07Å; N77-T83 HydrophobicContact CB-CG2 4.39Å |
| 78 | G | 68.3 | Low | 74.9 | Confident | 64 Ų | 64 | 67 Ų | 67 | 66% | 0.66 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.8 | 17.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | V76 | V76-G78 PolarHBondContact O-N 2.83Š|
| 79 | G | 71.4 | Confident | 73.4 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 25% | 0.247 | 38% | 0.379 | C | S | . | . | trans | 126.7 | 140.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L74 E81 T83 | L74-G79 CarbonylContact O-C 3.09Å; G79-E81 PolarHBondContact O-N 2.74Å; G79-T83 VanDerWaalsContact O-CB 3.32Å; G79-T83 WeakPolarHBondContact O-CB 3.39Å; G79-T83 PolarHBondContact O-N 3.32Å; G79-T83 PolarHBondContact O-OG1 3.29Å | ||
| 80 | I | 74.7 | Confident | 71.8 | Confident | 81 Ų | 81 | 76.7 Ų | 76.7 | 42% | 0.415 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62 | -47 | -173 | -59.4 | 161 | 0 | 0 | 0 | 110.7 | L84 | I80-L84 HydrophobicContact CG2-CD1 4.07Å; I80-L84 WeakPolarHBondContact O-CB 3.4Å; I80-L84 PolarHBondContact O-N 3.46Å |
| 81 | E | 67.6 | Low | 70.4 | Confident | 162 Ų | 162 | 80.6 Ų | 80.6 | 76% | 0.757 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.8 | -51 | -170.7 | -160.5 | 171.3 | -175.6 | 0 | 0 | 113 | G79 T83 L84 E85 | G79-E81 PolarHBondContact O-N 2.74Å; E81-T83 VanDerWaalsContact C-N 3.35Å; E81-T83 PolarHBondContact O-N 2.77Å; E81-L84 PolarHBondContact O-N 3Å; E81-E85 WeakPolarHBondContact O-CB 3.15Å; E81-E85 PolarHBondContact O-N 3.46Å |
| 82 | N | 65.9 | Low | 69.3 | Low | 103 Ų | 103 | 81.1 Ų | 81.1 | 55% | 0.551 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -69.7 | -30.9 | -178.5 | -64.3 | -39.2 | 0 | 0 | 0 | 113.3 | K86 | N82-K86 WeakPolarHBondContact O-CG 2.95Å; N82-K86 PolarHBondContact O-N 3.37Å |
| 83 | T | 66.4 | Low | 68 | Low | 23 Ų | 23 | 81.3 Ų | 81.3 | 14% | 0.141 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -80.3 | -37.1 | 178.7 | -49 | 0 | 0 | 0 | 0 | 110.4 | L74 N77 G79 E81 K86 E87 | L74-T83 HydrophobicContact CD2-CG2 3.45Å; L74-T83 VanDerWaalsContact CD2-CG2 3.45Å; N77-T83 HydrophobicContact CB-CG2 4.39Å; G79-T83 VanDerWaalsContact O-CB 3.32Å; G79-T83 WeakPolarHBondContact O-CB 3.39Å; G79-T83 PolarHBondContact O-N 3.32Å; G79-T83 PolarHBondContact O-OG1 3.29Å; E81-T83 VanDerWaalsContact C-N 3.35Å; E81-T83 PolarHBondContact O-N 2.77Å; T83-K86 PolarHBondContact O-N 3.02Å; T83-E87 HydrophobicContact CG2-CG 4.34Å; T83-E87 WeakPolarHBondContact O-CB 3.48Å; T83-E87 WeakPolarHBondContact O-CG 3.44Å; T83-E87 PolarHBondContact O-N 3.22Å |
| 84 | L | 67.9 | Low | 67 | Low | 64 Ų | 64 | 86.7 Ų | 86.7 | 34% | 0.335 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.2 | -37.1 | 176.8 | -161.3 | 158.3 | 0 | 0 | 0 | 111 | L74 I80 E81 K86 E87 V88 | L74-L84 HydrophobicContact CD1-CD1 4.31Å; I80-L84 HydrophobicContact CG2-CD1 4.07Å; I80-L84 WeakPolarHBondContact O-CB 3.4Å; I80-L84 PolarHBondContact O-N 3.46Å; E81-L84 PolarHBondContact O-N 3Å; L84-K86 VanDerWaalsContact C-N 3.32Å; L84-K86 PolarHBondContact O-N 2.98Å; L84-E87 PolarHBondContact O-N 2.97Å; L84-V88 HydrophobicContact CD2-CB 4.2Å; L84-V88 HydrophobicContact CD2-CG2 3.65Å; L84-V88 HydrophobicContact CG-CG2 4.01Å; L84-V88 WeakPolarHBondContact O-CA 3.48Å; L84-V88 WeakPolarHBondContact O-CB 3.25Å; L84-V88 WeakPolarHBondContact O-CG2 3.27Å; L84-V88 PolarHBondContact O-N 3.13Å |
| 85 | E | 66.8 | Low | 66 | Low | 123 Ų | 123 | 88.8 Ų | 88.8 | 58% | 0.575 | 46% | 0.459 | S | S | * | . | I | π-helix | trans | -64.1 | -38.1 | 171.9 | -153.2 | 178.6 | -153.2 | 0 | 0 | 111.4 | E81 M89 Q90 | E81-E85 WeakPolarHBondContact O-CB 3.15Å; E81-E85 PolarHBondContact O-N 3.46Å; E85-M89 HydrophobicContact CG-CB 4.24Å; E85-M89 WeakPolarHBondContact O-CA 3.48Å; E85-M89 WeakPolarHBondContact O-CB 3.49Å; E85-M89 PolarHBondContact O-N 3.44Å; E85-Q90 PolarHBondContact O-N 3.13Å |
| 86 | K | 64.1 | Low | 65.4 | Low | 140 Ų | 140 | 84.1 Ų | 84.1 | 61% | 0.609 | 44% | 0.435 | S | S | * | . | I | π-helix | trans | -71.6 | -42.1 | 173.6 | -74.5 | 176 | -178.5 | 171.4 | 0 | 113.3 | N82 T83 L84 Q90 | N82-K86 WeakPolarHBondContact O-CG 2.95Å; N82-K86 PolarHBondContact O-N 3.37Å; T83-K86 PolarHBondContact O-N 3.02Å; L84-K86 VanDerWaalsContact C-N 3.32Å; L84-K86 PolarHBondContact O-N 2.98Å; K86-Q90 CarbonylContact O-C 3.59Å; K86-Q90 WeakPolarHBondContact O-CA 3.46Å; K86-Q90 WeakPolarHBondContact O-CB 3.37Å; K86-Q90 PolarHBondContact O-N 3.16Å |
| 87 | E | 65.8 | Low | 65.2 | Low | 14 Ų | 14 | 80.6 Ų | 80.6 | 7% | 0.065 | 41% | 0.413 | C | S | . | . | I | π-helix | trans | -72.1 | -39 | -179.2 | -79 | -152.5 | 137.8 | 0 | 0 | 113.2 | W70 L74 T83 L84 S96 Y97 | W70-E87 PolarHBondContact NE1-OE2 2.93Å; L74-E87 HydrophobicContact CD2-CG 4.41Å; L74-E87 WeakPolarHBondContact CD2-OE2 3.31Å; T83-E87 HydrophobicContact CG2-CG 4.34Å; T83-E87 WeakPolarHBondContact O-CB 3.48Å; T83-E87 WeakPolarHBondContact O-CG 3.44Å; T83-E87 PolarHBondContact O-N 3.22Å; L84-E87 PolarHBondContact O-N 2.97Å; E87-S96 WeakPolarHBondContact CA-OG 3.5Å; E87-S96 VanDerWaalsContact CB-OG 3.26Å; E87-S96 WeakPolarHBondContact CB-OG 3.36Å; E87-S96 VanDerWaalsContact CG-OG 3.23Å; E87-S96 WeakPolarHBondContact CG-OG 3.42Å; E87-S96 PolarHBondContact O-OG 2.99Å; E87-S96 WeakPolarHBondContact OE1-CA 3.31Å; E87-S96 PolarHBondContact OE1-OG 2.88Å; E87-Y97 VanDerWaalsContact OE1-CD2 3.32Å; E87-Y97 WeakPolarHBondContact OE1-CD2 3.33Å; E87-Y97 PolarHBondContact OE1-N 3.21Å |
| 88 | V | 66.1 | Low | 65.6 | Low | 67 Ų | 67 | 79.3 Ų | 79.3 | 41% | 0.406 | 40% | 0.404 | S | S | . | . | I | π-helix | trans | -94.1 | -40.4 | -174.2 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | L84 F98 | L84-V88 HydrophobicContact CD2-CB 4.2Å; L84-V88 HydrophobicContact CD2-CG2 3.65Å; L84-V88 HydrophobicContact CG-CG2 4.01Å; L84-V88 WeakPolarHBondContact O-CA 3.48Å; L84-V88 WeakPolarHBondContact O-CB 3.25Å; L84-V88 WeakPolarHBondContact O-CG2 3.27Å; L84-V88 PolarHBondContact O-N 3.13Å; V88-F98 HydrophobicContact CG2-CD2 4.18Å; V88-F98 HydrophobicContact CG2-CE2 4.33Å |
| 89 | M | 58 | Low | 66.3 | Low | 160 Ų | 160 | 76.8 Ų | 76.8 | 79% | 0.788 | 38% | 0.375 | S | S | * | . | I | π-helix | trans | -92.7 | -30.8 | -175.4 | -111.9 | -87.3 | -157.5 | 0 | 0 | 112.2 | E85 | E85-M89 HydrophobicContact CG-CB 4.24Å; E85-M89 WeakPolarHBondContact O-CA 3.48Å; E85-M89 WeakPolarHBondContact O-CB 3.49Å; E85-M89 PolarHBondContact O-N 3.44Å |
| 90 | Q | 56.1 | Low | 67 | Low | 156 Ų | 156 | 75.7 Ų | 75.7 | 73% | 0.729 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -117.4 | 50.7 | 177.6 | -152.4 | 156.3 | 6.6 | 0 | 0 | 111.5 | E85 K86 D92 | E85-Q90 PolarHBondContact O-N 3.13Å; K86-Q90 CarbonylContact O-C 3.59Å; K86-Q90 WeakPolarHBondContact O-CA 3.46Å; K86-Q90 WeakPolarHBondContact O-CB 3.37Å; K86-Q90 PolarHBondContact O-N 3.16Å; Q90-D92 PolarHBondContact O-N 3.48Å |
| 91 | Y | 57.3 | Low | 67.5 | Low | 107 Ų | 107 | 74 Ų | 74 | 42% | 0.42 | 35% | 0.353 | S | S | . | . | trans | -50 | 117.1 | -174.1 | 176.1 | -98.5 | 0 | 0 | 0 | 113 | Y93 F98 D99 | Y91-Y93 WeakPolarHBondContact OH-CD2 3.23Å; Y91-F98 HydrophobicContact CD2-CD1 4.13Å; Y91-F98 HydrophobicContact CE2-CD1 4.06Å; Y91-D99 WeakPolarHBondContact CE2-OD1 2.86Å; Y91-D99 VanDerWaalsContact CZ-OD1 3.26Å; Y91-D99 PolarHBondContact OH-OD1 3.36Å; Y91-D99 PolarHBondContact OH-OD2 2.81Å | ||
| 92 | D | 60.9 | Low | 68.5 | Low | 85 Ų | 85 | 70.4 Ų | 70.4 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | trans | -118.4 | 112.4 | 169.9 | -165.7 | -25.2 | 0 | 0 | 0 | 109.3 | Q90 Y94 S95 S96 | Q90-D92 PolarHBondContact O-N 3.48Å; D92-Y94 PolarHBondContact O-N 2.89Å; D92-Y94 PolarHBondContact OD1-N 3.37Å; D92-Y94 VanDerWaalsContact OD1-N 3.12Å; D92-S95 PolarHBondContact O-N 2.91Å; D92-S96 WeakPolarHBondContact O-CB 3.41Å; D92-S96 PolarHBondContact O-N 3.47Å | ||
| 93 | Y | 58.7 | Low | 69.5 | Low | 72 Ų | 72 | 66.3 Ų | 66.3 | 28% | 0.282 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -24.4 | -179.5 | -175.4 | -96 | 0 | 0 | 0 | 113 | Y91 D99 F136 K140 | Y91-Y93 WeakPolarHBondContact OH-CD2 3.23Å; Y93-D99 WeakPolarHBondContact CD2-OD2 3.3Å; Y93-F136 HydrophobicContact CE2-CE2 4.48Å; Y93-F136 HydrophobicContact CE2-CZ 4.38Å; Y93-K140 PolarHBondContact O-NZ 2.87Å |
| 94 | Y | 58.7 | Low | 70.6 | Confident | 119 Ų | 119 | 65.4 Ų | 65.4 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -22.1 | -175.4 | -67 | -82.1 | 0 | 0 | 0 | 115.1 | D92 L143 S144 K145 | D92-Y94 PolarHBondContact O-N 2.89Å; D92-Y94 PolarHBondContact OD1-N 3.37Å; D92-Y94 VanDerWaalsContact OD1-N 3.12Å; Y94-L143 WeakPolarHBondContact CD1-O 3.31Å; Y94-L143 HydrophobicContact CE1-CB 4.4Å; Y94-L143 HydrophobicContact CE1-CD2 4.44Å; Y94-S144 WeakPolarHBondContact O-CB 3.25Å; Y94-K145 PolarHBondContact O-N 2.94Å |
| 95 | S | 59.4 | Low | 71.6 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -16.9 | -173.7 | -162.7 | 0 | 0 | 0 | 0 | 113.4 | D92 Q149 | D92-S95 PolarHBondContact O-N 2.91Å; S95-Q149 PolarHBondContact OG-OE1 2.77Å |
| 96 | S | 69.4 | Low | 72.6 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 3% | 0.028 | 30% | 0.303 | C | S | . | . | trans | -93.4 | 132.7 | -174 | -162.6 | 0 | 0 | 0 | 0 | 112.6 | E87 D92 F98 K140 | E87-S96 WeakPolarHBondContact CA-OG 3.5Å; E87-S96 VanDerWaalsContact CB-OG 3.26Å; E87-S96 WeakPolarHBondContact CB-OG 3.36Å; E87-S96 VanDerWaalsContact CG-OG 3.23Å; E87-S96 WeakPolarHBondContact CG-OG 3.42Å; E87-S96 PolarHBondContact O-OG 2.99Å; E87-S96 WeakPolarHBondContact OE1-CA 3.31Å; E87-S96 PolarHBondContact OE1-OG 2.88Å; D92-S96 WeakPolarHBondContact O-CB 3.41Å; D92-S96 PolarHBondContact O-N 3.47Å; S96-F98 VanDerWaalsContact C-N 3.26Å; S96-K140 PolarHBondContact O-NZ 3.29Å | ||
| 97 | Y | 74.7 | Confident | 73.7 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -4.7 | 175.7 | -56.7 | -76.7 | 0 | 0 | 0 | 113 | E73 E87 D99 I100 F101 L146 G153 L156 | E73-Y97 HydrophobicContact CG-CD2 3.74Å; E73-Y97 HydrophobicContact CG-CE2 3.44Å; E73-Y97 VanDerWaalsContact CG-CE2 3.44Å; E73-Y97 HydrophobicContact CG-CG 4.47Å; E73-Y97 WeakPolarHBondContact OE1-CE2 3.49Å; E73-Y97 PolarHBondContact OE1-OH 3.27Å; E87-Y97 VanDerWaalsContact OE1-CD2 3.32Å; E87-Y97 WeakPolarHBondContact OE1-CD2 3.33Å; E87-Y97 PolarHBondContact OE1-N 3.21Å; Y97-D99 PolarHBondContact O-N 2.62Å; Y97-D99 VanDerWaalsContact O-N 3.16Å; Y97-I100 HydrophobicContact CD1-CD1 4.15Å; Y97-I100 PolarHBondContact O-N 2.93Å; Y97-F101 PolarHBondContact O-N 3.33Å; Y97-L146 HydrophobicContact CD1-CD1 4.04Å; Y97-L146 HydrophobicContact CD1-CD2 4.45Å; Y97-L146 HydrophobicContact CE1-CD1 3.58Å; Y97-L146 HydrophobicContact CE1-CD2 3.53Å; Y97-L146 HydrophobicContact CE1-CG 4.14Å; Y97-L146 HydrophobicContact CE2-CD2 4.16Å; Y97-L146 VanDerWaalsContact OH-CD2 3.27Å; Y97-L146 WeakPolarHBondContact OH-CD2 3.38Å; Y97-G153 WeakPolarHBondContact CE1-O 3.49Å; Y97-G153 WeakPolarHBondContact OH-CA 3.41Å; Y97-L156 HydrophobicContact CD1-CB 4.5Å; Y97-L156 HydrophobicContact CD1-CD1 4.36Å; Y97-L156 HydrophobicContact CD1-CD2 4.08Å; Y97-L156 HydrophobicContact CG-CD1 4.33Å |
| 98 | F | 79 | Confident | 74.8 | Confident | 48 Ų | 48 | 58.5 Ų | 58.5 | 21% | 0.211 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -52.7 | -36.3 | 176.6 | -177.6 | -110.6 | 0 | 0 | 0 | 112.5 | W70 V88 Y91 S96 I100 F101 L102 | W70-F98 HydrophobicContact CH2-CD2 4.5Å; W70-F98 HydrophobicContact CZ2-CD2 4.12Å; V88-F98 HydrophobicContact CG2-CD2 4.18Å; V88-F98 HydrophobicContact CG2-CE2 4.33Å; Y91-F98 HydrophobicContact CD2-CD1 4.13Å; Y91-F98 HydrophobicContact CE2-CD1 4.06Å; S96-F98 VanDerWaalsContact C-N 3.26Å; F98-I100 VanDerWaalsContact C-N 3.3Å; F98-I100 PolarHBondContact O-N 2.96Å; F98-F101 HydrophobicContact CD2-CD1 4.33Å; F98-F101 HydrophobicContact CE2-CD1 4.24Å; F98-F101 PolarHBondContact O-N 3.39Å; F98-L102 HydrophobicContact CD1-CD1 4.34Å; F98-L102 HydrophobicContact CE1-CD1 3.55Å; F98-L102 HydrophobicContact CZ-CD1 3.86Å; F98-L102 VanDerWaalsContact O-CB 3.28Å; F98-L102 WeakPolarHBondContact O-CB 2.95Å; F98-L102 PolarHBondContact O-N 2.87Å |
| 99 | D | 83.7 | Confident | 75.9 | Confident | 11 Ų | 11 | 61 Ų | 61 | 6% | 0.059 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -33.8 | 176.9 | -68.7 | -32.2 | 0 | 0 | 0 | 113.7 | Y91 Y93 Y97 L103 F136 K140 | Y91-D99 WeakPolarHBondContact CE2-OD1 2.86Å; Y91-D99 VanDerWaalsContact CZ-OD1 3.26Å; Y91-D99 PolarHBondContact OH-OD1 3.36Å; Y91-D99 PolarHBondContact OH-OD2 2.81Å; Y93-D99 WeakPolarHBondContact CD2-OD2 3.3Å; Y97-D99 PolarHBondContact O-N 2.62Å; Y97-D99 VanDerWaalsContact O-N 3.16Å; D99-L103 WeakPolarHBondContact O-CB 3.32Å; D99-L103 PolarHBondContact O-N 3.18Å; D99-F136 HydrophobicContact CB-CZ 4.47Å; D99-K140 HydrophobicContact CB-CD 4.3Å; D99-K140 IonicContact OD2-NZ 2.64Å; D99-K140 PolarHBondContact OD2-NZ 3.01Å |
| 100 | I | 85.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -74.6 | -40.7 | -179.3 | -60.1 | 166.3 | 0 | 0 | 0 | 109.4 | V66 Y97 F98 L103 A104 L137 L156 P157 S160 | V66-I100 HydrophobicContact CG1-CG2 4.19Å; Y97-I100 HydrophobicContact CD1-CD1 4.15Å; Y97-I100 PolarHBondContact O-N 2.93Å; F98-I100 VanDerWaalsContact C-N 3.3Å; F98-I100 PolarHBondContact O-N 2.96Å; I100-L103 PolarHBondContact O-N 3.26Å; I100-A104 PolarHBondContact O-N 3.43Å; I100-L137 HydrophobicContact CG1-CD2 4.36Å; I100-L137 HydrophobicContact CG2-CD2 4.32Å; I100-L156 HydrophobicContact CB-CD2 3.79Å; I100-L156 HydrophobicContact CD1-CD2 3.51Å; I100-L156 HydrophobicContact CG1-CD2 4.26Å; I100-L156 HydrophobicContact CG2-CD2 3.59Å; I100-P157 HydrophobicContact CD1-CB 3.84Å; I100-P157 HydrophobicContact CD1-CG 4.41Å; I100-S160 WeakPolarHBondContact CG2-OG 3.11Å |
| 101 | F | 86.5 | Confident | 78.6 | Confident | 45 Ų | 45 | 48 Ų | 48 | 20% | 0.197 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -47.9 | 170.8 | 168.7 | -104.2 | 0 | 0 | 0 | 111.5 | T67 W70 Y97 F98 L103 A104 V105 | T67-F101 HydrophobicContact CG2-CD2 4.27Å; T67-F101 HydrophobicContact CG2-CE2 3.83Å; T67-F101 WeakPolarHBondContact OG1-CE2 3.5Å; W70-F101 HydrophobicContact CD2-CB 4Å; W70-F101 HydrophobicContact CD2-CD2 4.48Å; W70-F101 HydrophobicContact CD2-CG 4.15Å; W70-F101 HydrophobicContact CE3-CB 4.16Å; W70-F101 HydrophobicContact CE3-CD1 4.25Å; W70-F101 AromaticContact CE3-CD2 3.83Å; W70-F101 HydrophobicContact CE3-CD2 3.83Å; W70-F101 HydrophobicContact CE3-CE2 4.3Å; W70-F101 AromaticContact CE3-CG 3.79Å; W70-F101 HydrophobicContact CE3-CG 3.79Å; W70-F101 HydrophobicContact CG-CB 4.19Å; W70-F101 HydrophobicContact CH2-CD1 4.34Å; W70-F101 HydrophobicContact CZ3-CD1 4.05Å; W70-F101 HydrophobicContact CZ3-CD2 4.23Å; W70-F101 HydrophobicContact CZ3-CE1 4.19Å; W70-F101 HydrophobicContact CZ3-CE2 4.36Å; W70-F101 HydrophobicContact CZ3-CG 4.07Å; W70-F101 HydrophobicContact CZ3-CZ 4.34Å; Y97-F101 PolarHBondContact O-N 3.33Å; F98-F101 HydrophobicContact CD2-CD1 4.33Å; F98-F101 HydrophobicContact CE2-CD1 4.24Å; F98-F101 PolarHBondContact O-N 3.39Å; F101-L103 VanDerWaalsContact C-N 3.29Å; F101-L103 PolarHBondContact O-N 3.48Å; F101-A104 WeakPolarHBondContact O-CB 3.28Å; F101-A104 PolarHBondContact O-N 3.28Å; F101-A104 VanDerWaalsContact O-N 3.1Å; F101-V105 HydrophobicContact CD2-CG2 4.49Å; F101-V105 HydrophobicContact CE1-CG2 4.04Å; F101-V105 HydrophobicContact CE2-CG2 3.97Å; F101-V105 HydrophobicContact CZ-CG2 3.73Å; F101-V105 WeakPolarHBondContact O-CG2 3.29Å; F101-V105 PolarHBondContact O-N 2.52Å |
| 102 | L | 87.6 | Confident | 79.9 | Confident | 87 Ų | 87 | 45.4 Ų | 45.4 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63 | -38.3 | 179 | -165.7 | 150 | 0 | 0 | 0 | 111.2 | F98 V105 F106 | F98-L102 HydrophobicContact CD1-CD1 4.34Å; F98-L102 HydrophobicContact CE1-CD1 3.55Å; F98-L102 HydrophobicContact CZ-CD1 3.86Å; F98-L102 VanDerWaalsContact O-CB 3.28Å; F98-L102 WeakPolarHBondContact O-CB 2.95Å; F98-L102 PolarHBondContact O-N 2.87Å; L102-V105 PolarHBondContact O-N 2.88Å; L102-F106 WeakPolarHBondContact O-CB 3.29Å; L102-F106 PolarHBondContact O-N 2.83Å |
| 103 | L | 87.9 | Confident | 81 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 9% | 0.094 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -42 | 172.6 | -168.5 | 75.7 | 0 | 0 | 0 | 111.8 | D99 I100 F101 F106 R107 T133 F136 L137 | D99-L103 WeakPolarHBondContact O-CB 3.32Å; D99-L103 PolarHBondContact O-N 3.18Å; I100-L103 PolarHBondContact O-N 3.26Å; F101-L103 VanDerWaalsContact C-N 3.29Å; F101-L103 PolarHBondContact O-N 3.48Å; L103-F106 PolarHBondContact O-N 2.72Å; L103-R107 WeakPolarHBondContact O-CB 3.25Å; L103-R107 PolarHBondContact O-N 3.49Å; L103-T133 HydrophobicContact CD1-CG2 3.88Å; L103-T133 HydrophobicContact CG-CG2 4.17Å; L103-F136 HydrophobicContact CB-CE1 4.49Å; L103-F136 HydrophobicContact CD1-CD1 3.58Å; L103-F136 HydrophobicContact CD1-CE1 4.01Å; L103-F136 HydrophobicContact CD1-CG 4.16Å; L103-F136 HydrophobicContact CD2-CD1 3.64Å; L103-F136 HydrophobicContact CD2-CE1 4.2Å; L103-F136 HydrophobicContact CG-CD1 4.14Å; L103-F136 HydrophobicContact CG-CE1 4.47Å; L103-L137 HydrophobicContact CD2-CD1 4.12Å; L103-L137 HydrophobicContact CD2-CD2 3.46Å; L103-L137 VanDerWaalsContact CD2-CD2 3.46Å; L103-L137 HydrophobicContact CD2-CG 3.45Å; L103-L137 VanDerWaalsContact CD2-CG 3.45Å |
| 104 | A | 88.1 | Confident | 82 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L63 V66 I100 F101 R107 F108 | L63-A104 HydrophobicContact CD1-CB 4.1Å; V66-A104 HydrophobicContact CB-CB 3.92Å; V66-A104 HydrophobicContact CG1-CB 3.71Å; V66-A104 HydrophobicContact CG2-CB 4.23Å; I100-A104 PolarHBondContact O-N 3.43Å; F101-A104 WeakPolarHBondContact O-CB 3.28Å; F101-A104 PolarHBondContact O-N 3.28Å; F101-A104 VanDerWaalsContact O-N 3.1Å; A104-R107 PolarHBondContact O-N 2.96Å; A104-F108 WeakPolarHBondContact O-CB 3.47Å; A104-F108 PolarHBondContact O-N 3.32Å |
| 105 | V | 88.9 | Confident | 82.8 | Confident | 45 Ų | 45 | 41 Ų | 41 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.6 | -46.7 | 173 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | L63 F101 L102 R107 F108 K109 | L63-V105 HydrophobicContact CD1-CB 4.39Å; L63-V105 HydrophobicContact CD1-CG2 3.78Å; F101-V105 HydrophobicContact CD2-CG2 4.49Å; F101-V105 HydrophobicContact CE1-CG2 4.04Å; F101-V105 HydrophobicContact CE2-CG2 3.97Å; F101-V105 HydrophobicContact CZ-CG2 3.73Å; F101-V105 WeakPolarHBondContact O-CG2 3.29Å; F101-V105 PolarHBondContact O-N 2.52Å; L102-V105 PolarHBondContact O-N 2.88Å; V105-R107 VanDerWaalsContact C-N 3.34Å; V105-R107 PolarHBondContact O-N 3.41Å; V105-F108 PolarHBondContact O-N 2.91Å; V105-K109 HydrophobicContact CG1-CG 4.49Å; V105-K109 VanDerWaalsContact O-CG 3.26Å; V105-K109 WeakPolarHBondContact O-CG 3.2Å; V105-K109 PolarHBondContact O-N 3.24Å |
| 106 | F | 88.7 | Confident | 83.7 | Confident | 107 Ų | 107 | 42.1 Ų | 42.1 | 47% | 0.469 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.5 | -48.5 | 177.1 | 172.6 | -100.3 | 0 | 0 | 0 | 110.8 | L102 L103 K109 V110 T133 | L102-F106 WeakPolarHBondContact O-CB 3.29Å; L102-F106 PolarHBondContact O-N 2.83Å; L103-F106 PolarHBondContact O-N 2.72Å; F106-K109 PolarHBondContact O-N 3.49Å; F106-K109 VanDerWaalsContact O-N 3.13Å; F106-V110 HydrophobicContact CD1-CG2 4.25Å; F106-V110 HydrophobicContact CD2-CG2 4.18Å; F106-V110 HydrophobicContact CE1-CG2 3.82Å; F106-V110 HydrophobicContact CE2-CG2 3.73Å; F106-V110 HydrophobicContact CG-CG2 4.43Å; F106-V110 HydrophobicContact CZ-CG2 3.54Å; F106-V110 WeakPolarHBondContact O-CG2 3.26Å; F106-V110 PolarHBondContact O-N 3.43Å; F106-T133 HydrophobicContact CD1-CG2 4.31Å; F106-T133 HydrophobicContact CE1-CG2 4.46Å |
| 107 | R | 87.3 | Confident | 84 | Confident | 10 Ų | 10 | 47 Ų | 47 | 4% | 0.038 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.1 | -51.4 | 176.4 | -176 | 175.8 | 113.4 | 109.7 | -20.3 | 111.6 | D62 L103 A104 V105 K109 V110 L111 T133 L163 A164 E167 | D62-R107 IonicContact OD1-CZ 2.52Å; D62-R107 IonicContact OD1-NH2 3.22Å; D62-R107 PolarHBondContact OD1-NH2 3.5Å; D62-R107 IonicContact OD2-CZ 3.43Å; D62-R107 IonicContact OD2-NE 2.91Å; D62-R107 PolarHBondContact OD2-NE 3.45Å; D62-R107 IonicContact OD2-NH2 2.66Å; D62-R107 PolarHBondContact OD2-NH2 3.47Å; L103-R107 WeakPolarHBondContact O-CB 3.25Å; L103-R107 PolarHBondContact O-N 3.49Å; A104-R107 PolarHBondContact O-N 2.96Å; V105-R107 VanDerWaalsContact C-N 3.34Å; V105-R107 PolarHBondContact O-N 3.41Å; R107-K109 VanDerWaalsContact C-N 3.27Å; R107-K109 PolarHBondContact O-N 2.89Å; R107-V110 PolarHBondContact O-N 3.35Å; R107-L111 HydrophobicContact CG-CD1 3.74Å; R107-L111 WeakPolarHBondContact O-CD1 3.27Å; R107-L111 PolarHBondContact O-N 3.43Å; R107-T133 HydrophobicContact CB-CG2 4.44Å; R107-L163 PolarHBondContact NH2-O 3.4Å; R107-A164 VanDerWaalsContact NH1-CA 3.3Å; R107-E167 IonicContact CZ-OE2 3.33Å; R107-E167 IonicContact NE-OE2 2.71Å; R107-E167 IonicContact NH1-OE2 3.53Å; R107-E167 PolarHBondContact NH1-OE2 2.84Å; R107-E167 IonicContact NH2-OE2 2.87Å; R107-E167 PolarHBondContact NH2-OE2 2.99Å |
| 108 | F | 89 | Confident | 83.6 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -52.4 | -46.4 | 173.7 | 175 | -90.8 | 0 | 0 | 0 | 111.6 | V59 L63 A104 V105 I112 | V59-F108 HydrophobicContact CG1-CD2 3.58Å; V59-F108 HydrophobicContact CG1-CE2 4.03Å; V59-F108 HydrophobicContact CG1-CG 4.41Å; L63-F108 HydrophobicContact CB-CB 4.4Å; L63-F108 HydrophobicContact CB-CD2 4.17Å; L63-F108 HydrophobicContact CD1-CB 4.37Å; L63-F108 HydrophobicContact CD2-CB 4.18Å; L63-F108 HydrophobicContact CD2-CD1 4.21Å; L63-F108 HydrophobicContact CD2-CD2 3.94Å; L63-F108 HydrophobicContact CD2-CE2 4.41Å; L63-F108 HydrophobicContact CD2-CG 3.84Å; A104-F108 WeakPolarHBondContact O-CB 3.47Å; A104-F108 PolarHBondContact O-N 3.32Å; V105-F108 PolarHBondContact O-N 2.91Å; F108-I112 HydrophobicContact CD1-CG1 4.33Å; F108-I112 HydrophobicContact CD2-CG1 4.38Å; F108-I112 HydrophobicContact CE1-CG1 4.01Å; F108-I112 HydrophobicContact CE2-CD1 4.35Å; F108-I112 HydrophobicContact CE2-CG1 4.04Å; F108-I112 HydrophobicContact CZ-CD1 4.35Å; F108-I112 HydrophobicContact CZ-CG1 3.85Å; F108-I112 WeakPolarHBondContact O-CB 3.3Å; F108-I112 WeakPolarHBondContact O-CG1 3.39Å; F108-I112 PolarHBondContact O-N 2.93Å |
| 109 | K | 88.9 | Confident | 82.9 | Confident | 118 Ų | 118 | 55 Ų | 55 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | -179.6 | -68.2 | -70.1 | -179.4 | -74.5 | 0 | 112.4 | V105 F106 R107 L113 | V105-K109 HydrophobicContact CG1-CG 4.49Å; V105-K109 VanDerWaalsContact O-CG 3.26Å; V105-K109 WeakPolarHBondContact O-CG 3.2Å; V105-K109 PolarHBondContact O-N 3.24Å; F106-K109 PolarHBondContact O-N 3.49Å; F106-K109 VanDerWaalsContact O-N 3.13Å; R107-K109 VanDerWaalsContact C-N 3.27Å; R107-K109 PolarHBondContact O-N 2.89Å; K109-L113 WeakPolarHBondContact O-CB 3.18Å; K109-L113 PolarHBondContact O-N 3.09Å |
| 110 | V | 85.8 | Confident | 81.9 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 22% | 0.218 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 178.7 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | F106 R107 L113 A114 T129 | F106-V110 HydrophobicContact CD1-CG2 4.25Å; F106-V110 HydrophobicContact CD2-CG2 4.18Å; F106-V110 HydrophobicContact CE1-CG2 3.82Å; F106-V110 HydrophobicContact CE2-CG2 3.73Å; F106-V110 HydrophobicContact CG-CG2 4.43Å; F106-V110 HydrophobicContact CZ-CG2 3.54Å; F106-V110 WeakPolarHBondContact O-CG2 3.26Å; F106-V110 PolarHBondContact O-N 3.43Å; R107-V110 PolarHBondContact O-N 3.35Å; V110-L113 PolarHBondContact O-N 2.97Å; V110-A114 WeakPolarHBondContact O-CB 3.07Å; V110-A114 PolarHBondContact O-N 2.74Å; V110-T129 HydrophobicContact CB-CG2 3.89Å; V110-T129 HydrophobicContact CG1-CG2 3.4Å; V110-T129 VanDerWaalsContact CG1-CG2 3.4Å |
| 111 | L | 85.7 | Confident | 80.7 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68 | -43 | 177.9 | -88.4 | 82.9 | 0 | 0 | 0 | 112.3 | F55 V59 R107 L113 A114 Y115 T129 E167 L171 | F55-L111 HydrophobicContact CE2-CD2 4.32Å; F55-L111 HydrophobicContact CZ-CB 4.4Å; F55-L111 HydrophobicContact CZ-CD2 4.46Å; V59-L111 HydrophobicContact CG1-CB 4.19Å; V59-L111 HydrophobicContact CG2-CB 4.38Å; V59-L111 HydrophobicContact CG2-CD2 3.79Å; R107-L111 HydrophobicContact CG-CD1 3.74Å; R107-L111 WeakPolarHBondContact O-CD1 3.27Å; R107-L111 PolarHBondContact O-N 3.43Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 2.94Å; L111-A114 PolarHBondContact O-N 2.84Å; L111-Y115 WeakPolarHBondContact O-CB 3.35Å; L111-Y115 PolarHBondContact O-N 3.46Å; L111-T129 HydrophobicContact CD1-CG2 4.39Å; L111-E167 HydrophobicContact CD2-CG 4.14Å; L111-E167 WeakPolarHBondContact CD2-OE1 3.18Å; L111-E167 WeakPolarHBondContact CD2-OE2 3.48Å; L111-L171 HydrophobicContact CD2-CD1 3.9Å |
| 112 | I | 84 | Confident | 79.8 | Confident | 52 Ų | 52 | 66.7 Ų | 66.7 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65 | -37.7 | 174.7 | -65.7 | -64.5 | 0 | 0 | 0 | 111.1 | V59 F108 Y115 A116 | V59-I112 HydrophobicContact CG1-CD1 4.24Å; V59-I112 HydrophobicContact CG1-CG1 4.32Å; F108-I112 HydrophobicContact CD1-CG1 4.33Å; F108-I112 HydrophobicContact CD2-CG1 4.38Å; F108-I112 HydrophobicContact CE1-CG1 4.01Å; F108-I112 HydrophobicContact CE2-CD1 4.35Å; F108-I112 HydrophobicContact CE2-CG1 4.04Å; F108-I112 HydrophobicContact CZ-CD1 4.35Å; F108-I112 HydrophobicContact CZ-CG1 3.85Å; F108-I112 WeakPolarHBondContact O-CB 3.3Å; F108-I112 WeakPolarHBondContact O-CG1 3.39Å; F108-I112 PolarHBondContact O-N 2.93Å; I112-Y115 WeakPolarHBondContact O-CB 3.2Å; I112-Y115 PolarHBondContact O-N 2.96Å; I112-A116 WeakPolarHBondContact O-CB 3.3Å; I112-A116 PolarHBondContact O-N 3.34Å |
| 113 | L | 84.8 | Confident | 79 | Confident | 109 Ų | 109 | 69 Ų | 69 | 57% | 0.571 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -69.8 | -44.7 | 176.7 | -175.2 | 66.7 | 0 | 0 | 0 | 111.9 | K109 V110 L111 Y115 A116 V117 | K109-L113 WeakPolarHBondContact O-CB 3.18Å; K109-L113 PolarHBondContact O-N 3.09Å; V110-L113 PolarHBondContact O-N 2.97Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 2.94Å; L113-Y115 PolarHBondContact O-N 2.63Å; L113-A116 PolarHBondContact O-N 3.22Å; L113-A116 VanDerWaalsContact O-N 3.16Å; L113-V117 HydrophobicContact CD1-CG2 3.62Å; L113-V117 HydrophobicContact CG-CG2 4.15Å; L113-V117 WeakPolarHBondContact O-CB 3.13Å; L113-V117 WeakPolarHBondContact O-CG2 3.37Å; L113-V117 PolarHBondContact O-N 3.19Å |
| 114 | A | 79.1 | Confident | 78.2 | Confident | 16 Ų | 16 | 76.7 Ų | 76.7 | 13% | 0.132 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.3 | -36.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V110 L111 C118 R119 | V110-A114 WeakPolarHBondContact O-CB 3.07Å; V110-A114 PolarHBondContact O-N 2.74Å; L111-A114 PolarHBondContact O-N 2.84Å; A114-C118 CarbonylContact O-C 3.5Å; A114-C118 VanDerWaalsContact O-CA 3.3Å; A114-C118 WeakPolarHBondContact O-CA 3.44Å; A114-C118 WeakPolarHBondContact O-CB 3.49Å; A114-C118 PolarHBondContact O-N 3.14Å; A114-R119 PolarHBondContact O-N 3.16Å |
| 115 | Y | 75.9 | Confident | 77.6 | Confident | 58 Ų | 58 | 77.9 Ų | 77.9 | 23% | 0.227 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.4 | -48.4 | 172.1 | 175.1 | -96.1 | 0 | 0 | 0 | 112.3 | I48 R52 F55 L111 I112 L113 R119 L120 | I48-Y115 WeakPolarHBondContact CD1-OH 3.32Å; R52-Y115 HydrophobicContact CB-CE2 4.12Å; R52-Y115 WeakPolarHBondContact CD-OH 3.26Å; R52-Y115 HydrophobicContact CG-CE2 3.85Å; F55-Y115 AromaticContact CD1-CD2 3.7Å; F55-Y115 HydrophobicContact CD1-CD2 3.7Å; F55-Y115 HydrophobicContact CD1-CE2 4.08Å; F55-Y115 HydrophobicContact CD1-CG 4.27Å; F55-Y115 AromaticContact CE1-CD2 3.52Å; F55-Y115 HydrophobicContact CE1-CD2 3.52Å; F55-Y115 HydrophobicContact CE1-CE2 4.34Å; F55-Y115 AromaticContact CE1-CG 3.73Å; F55-Y115 HydrophobicContact CE1-CG 3.73Å; F55-Y115 HydrophobicContact CZ-CD2 4.47Å; L111-Y115 WeakPolarHBondContact O-CB 3.35Å; L111-Y115 PolarHBondContact O-N 3.46Å; I112-Y115 WeakPolarHBondContact O-CB 3.2Å; I112-Y115 PolarHBondContact O-N 2.96Å; L113-Y115 PolarHBondContact O-N 2.63Å; Y115-R119 PolarHBondContact O-N 3.03Å; Y115-L120 HydrophobicContact CD2-CD1 4.04Å; Y115-L120 HydrophobicContact CD2-CD2 4.44Å; Y115-L120 HydrophobicContact CD2-CG 4.15Å; Y115-L120 HydrophobicContact CE2-CD1 4.21Å |
| 116 | A | 76.8 | Confident | 77 | Confident | 71 Ų | 71 | 76.4 Ų | 76.4 | 59% | 0.587 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.1 | -42.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I112 L113 | I112-A116 WeakPolarHBondContact O-CB 3.3Å; I112-A116 PolarHBondContact O-N 3.34Å; L113-A116 PolarHBondContact O-N 3.22Å; L113-A116 VanDerWaalsContact O-N 3.16Å |
| 117 | V | 77.3 | Confident | 76.6 | Confident | 105 Ų | 105 | 72.9 Ų | 72.9 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -92.2 | -44.2 | -173 | 179 | 0 | 0 | 0 | 0 | 111.6 | L113 | L113-V117 HydrophobicContact CD1-CG2 3.62Å; L113-V117 HydrophobicContact CG-CG2 4.15Å; L113-V117 WeakPolarHBondContact O-CB 3.13Å; L113-V117 WeakPolarHBondContact O-CG2 3.37Å; L113-V117 PolarHBondContact O-N 3.19Å |
| 118 | C | 66.1 | Low | 76.3 | Confident | 45 Ų | 45 | 76 Ų | 76 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -96.9 | -1.8 | -171.7 | -56.9 | 0 | 0 | 0 | 0 | 113.4 | A114 L120 R121 | A114-C118 CarbonylContact O-C 3.5Å; A114-C118 VanDerWaalsContact O-CA 3.3Å; A114-C118 WeakPolarHBondContact O-CA 3.44Å; A114-C118 WeakPolarHBondContact O-CB 3.49Å; A114-C118 PolarHBondContact O-N 3.14Å; C118-L120 PolarHBondContact O-N 2.84Å; C118-R121 WeakPolarHBondContact O-CB 3.2Å; C118-R121 PolarHBondContact O-N 3.34Å |
| 119 | R | 64.9 | Low | 76 | Confident | 176 Ų | 176 | 75.5 Ų | 75.5 | 66% | 0.664 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 30.6 | 177.7 | -86.5 | -103.4 | -140.6 | 155.1 | 4.7 | 112.9 | A114 Y115 R121 | A114-R119 PolarHBondContact O-N 3.16Å; Y115-R119 PolarHBondContact O-N 3.03Å; R119-R121 PolarHBondContact O-N 3.32Å |
| 120 | L | 61.1 | Low | 75.7 | Confident | 14 Ų | 14 | 70.3 Ų | 70.3 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 7.5 | -173.5 | -57.5 | 158.9 | 0 | 0 | 0 | 115 | Y115 C118 H122 I126 V175 L176 | Y115-L120 HydrophobicContact CD2-CD1 4.04Å; Y115-L120 HydrophobicContact CD2-CD2 4.44Å; Y115-L120 HydrophobicContact CD2-CG 4.15Å; Y115-L120 HydrophobicContact CE2-CD1 4.21Å; C118-L120 PolarHBondContact O-N 2.84Å; L120-H122 VanDerWaalsContact C-N 3.29Å; L120-H122 PolarHBondContact O-N 3.5Å; L120-I126 HydrophobicContact CD2-CD1 3.84Å; L120-V175 HydrophobicContact CD1-CG1 4.18Å; L120-L176 WeakPolarHBondContact O-CD2 3.42Å |
| 121 | R | 60.2 | Low | 75.7 | Confident | 182 Ų | 182 | 71 Ų | 71 | 69% | 0.687 | 36% | 0.356 | S | S | * | . | trans | -71 | -21.9 | -170.7 | -168.5 | 158.2 | 60.9 | 99.2 | 1.1 | 114 | C118 R119 | C118-R121 WeakPolarHBondContact O-CB 3.2Å; C118-R121 PolarHBondContact O-N 3.34Å; R119-R121 PolarHBondContact O-N 3.32Å | ||
| 122 | H | 67.5 | Low | 75.6 | Confident | 105 Ų | 105 | 74.8 Ų | 74.8 | 49% | 0.486 | 38% | 0.379 | S | S | . | . | trans | -111.9 | 93.6 | 176.3 | -64.8 | -61.4 | 0 | 0 | 0 | 109.9 | L120 W124 A125 | L120-H122 VanDerWaalsContact C-N 3.29Å; L120-H122 PolarHBondContact O-N 3.5Å; H122-W124 PolarHBondContact O-N 2.86Å; H122-A125 HydrophobicContact CB-CB 4.4Å; H122-A125 PolarHBondContact O-N 3.13Å; H122-A125 VanDerWaalsContact O-N 3.1Å | ||
| 123 | W | 70 | Confident | 75.7 | Confident | 136 Ų | 136 | 72.5 Ų | 72.5 | 52% | 0.515 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -50.5 | -39.3 | 175.4 | 175.2 | 47.2 | 0 | 0 | 0 | 113.1 | A125 I126 A127 D172 L176 | W123-A125 VanDerWaalsContact C-N 3.28Å; W123-A125 PolarHBondContact O-N 3.49Å; W123-I126 PolarHBondContact O-N 2.87Å; W123-A127 PolarHBondContact O-N 3.17Å; W123-D172 WeakPolarHBondContact CZ2-OD1 3.27Å; W123-D172 WeakPolarHBondContact CZ2-OD2 3.4Å; W123-D172 VanDerWaalsContact NE1-CG 3.34Å; W123-D172 PolarHBondContact NE1-OD1 2.81Å; W123-L176 HydrophobicContact CB-CD1 4.26Å; W123-L176 HydrophobicContact CB-CD2 4.5Å; W123-L176 HydrophobicContact CG-CD1 3.93Å |
| 124 | W | 73.1 | Confident | 75.7 | Confident | 180 Ų | 180 | 68.2 Ų | 68.2 | 68% | 0.682 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.1 | -28.6 | -178.7 | -176.8 | 75.4 | 0 | 0 | 0 | 114.2 | H122 I126 A127 L128 | H122-W124 PolarHBondContact O-N 2.86Å; W124-I126 VanDerWaalsContact C-N 3.33Å; W124-I126 PolarHBondContact O-N 2.89Å; W124-A127 PolarHBondContact O-N 2.82Å; W124-L128 HydrophobicContact CH2-CD1 4.43Å; W124-L128 HydrophobicContact CH2-CD2 3.71Å; W124-L128 HydrophobicContact CZ2-CD1 4.05Å; W124-L128 HydrophobicContact CZ2-CD2 4.12Å; W124-L128 HydrophobicContact CZ2-CG 4.48Å; W124-L128 HydrophobicContact CZ3-CD2 3.98Å; W124-L128 VanDerWaalsContact O-CB 3.25Å; W124-L128 WeakPolarHBondContact O-CB 3.45Å; W124-L128 PolarHBondContact O-N 3.18Å |
| 125 | A | 74.2 | Confident | 76.1 | Confident | 27 Ų | 27 | 70.2 Ų | 70.2 | 22% | 0.223 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.6 | -35.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | H122 W123 T129 | H122-A125 HydrophobicContact CB-CB 4.4Å; H122-A125 PolarHBondContact O-N 3.13Å; H122-A125 VanDerWaalsContact O-N 3.1Å; W123-A125 VanDerWaalsContact C-N 3.28Å; W123-A125 PolarHBondContact O-N 3.49Å; A125-T129 PolarHBondContact O-N 2.88Å; A125-T129 VanDerWaalsContact O-N 3.13Å; A125-T129 PolarHBondContact O-OG1 3.37Å |
| 126 | I | 76.1 | Confident | 76.6 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 7% | 0.072 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.9 | -50.3 | 176.3 | -60.1 | 162.1 | 0 | 0 | 0 | 108.6 | L120 W123 W124 L128 T129 T130 L171 | L120-I126 HydrophobicContact CD2-CD1 3.84Å; W123-I126 PolarHBondContact O-N 2.87Å; W124-I126 VanDerWaalsContact C-N 3.33Å; W124-I126 PolarHBondContact O-N 2.89Å; I126-L128 VanDerWaalsContact C-N 3.31Å; I126-L128 PolarHBondContact O-N 3.34Å; I126-T129 PolarHBondContact O-N 2.94Å; I126-T130 PolarHBondContact O-N 3.02Å; I126-T130 PolarHBondContact O-OG1 3.44Å; I126-L171 HydrophobicContact CG2-CB 4.41Å; I126-L171 HydrophobicContact CG2-CD1 3.47Å; I126-L171 VanDerWaalsContact CG2-CD1 3.47Å |
| 127 | A | 79.9 | Confident | 77 | Confident | 33 Ų | 33 | 67.3 Ų | 67.3 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.6 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W123 W124 T130 A131 | W123-A127 PolarHBondContact O-N 3.17Å; W124-A127 PolarHBondContact O-N 2.82Å; A127-T130 PolarHBondContact O-N 2.97Å; A127-A131 VanDerWaalsContact O-CB 3.3Å; A127-A131 WeakPolarHBondContact O-CB 3.46Å; A127-A131 PolarHBondContact O-N 2.99Å |
| 128 | L | 82.6 | Confident | 77.3 | Confident | 76 Ų | 76 | 66.9 Ų | 66.9 | 40% | 0.398 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 177.1 | -177.6 | 70.6 | 0 | 0 | 0 | 111.7 | W124 I126 T130 A131 V132 | W124-L128 HydrophobicContact CH2-CD1 4.43Å; W124-L128 HydrophobicContact CH2-CD2 3.71Å; W124-L128 HydrophobicContact CZ2-CD1 4.05Å; W124-L128 HydrophobicContact CZ2-CD2 4.12Å; W124-L128 HydrophobicContact CZ2-CG 4.48Å; W124-L128 HydrophobicContact CZ3-CD2 3.98Å; W124-L128 VanDerWaalsContact O-CB 3.25Å; W124-L128 WeakPolarHBondContact O-CB 3.45Å; W124-L128 PolarHBondContact O-N 3.18Å; I126-L128 VanDerWaalsContact C-N 3.31Å; I126-L128 PolarHBondContact O-N 3.34Å; L128-T130 VanDerWaalsContact C-N 3.32Å; L128-T130 PolarHBondContact O-N 3.47Å; L128-A131 PolarHBondContact O-N 2.85Å; L128-V132 WeakPolarHBondContact O-CG2 3.25Å; L128-V132 PolarHBondContact O-N 2.93Å |
| 129 | T | 81.9 | Confident | 78.1 | Confident | 25 Ų | 25 | 66.6 Ų | 66.6 | 15% | 0.153 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 179.5 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | V110 L111 A125 I126 T133 | V110-T129 HydrophobicContact CB-CG2 3.89Å; V110-T129 HydrophobicContact CG1-CG2 3.4Å; V110-T129 VanDerWaalsContact CG1-CG2 3.4Å; L111-T129 HydrophobicContact CD1-CG2 4.39Å; A125-T129 PolarHBondContact O-N 2.88Å; A125-T129 VanDerWaalsContact O-N 3.13Å; A125-T129 PolarHBondContact O-OG1 3.37Å; I126-T129 PolarHBondContact O-N 2.94Å; T129-T133 PolarHBondContact O-N 3.46Å; T129-T133 PolarHBondContact O-OG1 3.21Å |
| 130 | T | 83.1 | Confident | 78.9 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 5% | 0.049 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.3 | -44 | 172.7 | -54 | 0 | 0 | 0 | 0 | 111.8 | I126 A127 L128 V132 T133 S134 T168 | I126-T130 PolarHBondContact O-N 3.02Å; I126-T130 PolarHBondContact O-OG1 3.44Å; A127-T130 PolarHBondContact O-N 2.97Å; L128-T130 VanDerWaalsContact C-N 3.32Å; L128-T130 PolarHBondContact O-N 3.47Å; T130-V132 VanDerWaalsContact C-N 3.3Å; T130-V132 PolarHBondContact O-N 3.36Å; T130-T133 VanDerWaalsContact CA-OG1 3.27Å; T130-T133 WeakPolarHBondContact CA-OG1 3.13Å; T130-T133 PolarHBondContact O-N 2.96Å; T130-T133 PolarHBondContact O-OG1 2.91Å; T130-T133 VanDerWaalsContact O-OG1 3.09Å; T130-S134 VanDerWaalsContact O-CB 3.23Å; T130-S134 WeakPolarHBondContact O-CB 3.46Å; T130-S134 PolarHBondContact O-N 3.36Å; T130-S134 PolarHBondContact O-OG 3.17Å; T130-T168 VanDerWaalsContact CB-OG1 3.3Å; T130-T168 WeakPolarHBondContact CB-OG1 3.39Å; T130-T168 HydrophobicContact CG2-CG2 4Å; T130-T168 WeakPolarHBondContact CG2-OG1 3.42Å; T130-T168 PolarHBondContact OG1-OG1 2.78Å |
| 131 | A | 84.6 | Confident | 79.8 | Confident | 52 Ų | 52 | 59.5 Ų | 59.5 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A127 L128 S134 A135 | A127-A131 VanDerWaalsContact O-CB 3.3Å; A127-A131 WeakPolarHBondContact O-CB 3.46Å; A127-A131 PolarHBondContact O-N 2.99Å; L128-A131 PolarHBondContact O-N 2.85Å; A131-S134 WeakPolarHBondContact CA-OG 3.17Å; A131-S134 PolarHBondContact O-OG 3.31Å; A131-A135 VanDerWaalsContact O-CB 3.25Å; A131-A135 WeakPolarHBondContact O-CB 3.32Å; A131-A135 PolarHBondContact O-N 3.46Å |
| 132 | V | 85.3 | Confident | 80.6 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 53% | 0.527 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.9 | -47.3 | 176.4 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | L128 T130 A135 F136 | L128-V132 WeakPolarHBondContact O-CG2 3.25Å; L128-V132 PolarHBondContact O-N 2.93Å; T130-V132 VanDerWaalsContact C-N 3.3Å; T130-V132 PolarHBondContact O-N 3.36Å; V132-A135 PolarHBondContact O-N 3.47Å; V132-F136 WeakPolarHBondContact O-CB 3.18Å; V132-F136 PolarHBondContact O-N 3.44Å |
| 133 | T | 85.4 | Confident | 80.7 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 179.8 | 40.6 | 0 | 0 | 0 | 0 | 112.4 | L103 F106 R107 T129 T130 F136 L137 | L103-T133 HydrophobicContact CD1-CG2 3.88Å; L103-T133 HydrophobicContact CG-CG2 4.17Å; F106-T133 HydrophobicContact CD1-CG2 4.31Å; F106-T133 HydrophobicContact CE1-CG2 4.46Å; R107-T133 HydrophobicContact CB-CG2 4.44Å; T129-T133 PolarHBondContact O-N 3.46Å; T129-T133 PolarHBondContact O-OG1 3.21Å; T130-T133 VanDerWaalsContact CA-OG1 3.27Å; T130-T133 WeakPolarHBondContact CA-OG1 3.13Å; T130-T133 PolarHBondContact O-N 2.96Å; T130-T133 PolarHBondContact O-OG1 2.91Å; T130-T133 VanDerWaalsContact O-OG1 3.09Å; T133-F136 PolarHBondContact O-N 3.31Å; T133-L137 WeakPolarHBondContact O-CG 3.23Å; T133-L137 PolarHBondContact O-N 3.39Å |
| 134 | S | 84.6 | Confident | 80.6 | Confident | 19 Ų | 19 | 49.6 Ų | 49.6 | 13% | 0.133 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 175.9 | 58 | 0 | 0 | 0 | 0 | 112.6 | T130 A131 F136 L137 L138 | T130-S134 VanDerWaalsContact O-CB 3.23Å; T130-S134 WeakPolarHBondContact O-CB 3.46Å; T130-S134 PolarHBondContact O-N 3.36Å; T130-S134 PolarHBondContact O-OG 3.17Å; A131-S134 WeakPolarHBondContact CA-OG 3.17Å; A131-S134 PolarHBondContact O-OG 3.31Å; S134-F136 VanDerWaalsContact C-N 3.32Å; S134-F136 PolarHBondContact O-N 2.83Å; S134-L137 PolarHBondContact O-N 2.85Å; S134-L138 WeakPolarHBondContact O-CB 3.45Å; S134-L138 PolarHBondContact O-N 3.43Å |
| 135 | A | 87.6 | Confident | 80.1 | Confident | 58 Ų | 58 | 49 Ų | 49 | 48% | 0.479 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | A131 V132 L138 A139 | A131-A135 VanDerWaalsContact O-CB 3.25Å; A131-A135 WeakPolarHBondContact O-CB 3.32Å; A131-A135 PolarHBondContact O-N 3.46Å; V132-A135 PolarHBondContact O-N 3.47Å; A135-L138 PolarHBondContact O-N 2.83Å; A135-A139 WeakPolarHBondContact O-CB 3.43Å; A135-A139 PolarHBondContact O-N 3.29Å |
| 136 | F | 85.9 | Confident | 79.3 | Confident | 64 Ų | 64 | 48.1 Ų | 48.1 | 28% | 0.281 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 174.2 | -179.9 | -91 | 0 | 0 | 0 | 112 | Y93 D99 L103 V132 T133 S134 L138 A139 K140 | Y93-F136 HydrophobicContact CE2-CE2 4.48Å; Y93-F136 HydrophobicContact CE2-CZ 4.38Å; D99-F136 HydrophobicContact CB-CZ 4.47Å; L103-F136 HydrophobicContact CB-CE1 4.49Å; L103-F136 HydrophobicContact CD1-CD1 3.58Å; L103-F136 HydrophobicContact CD1-CE1 4.01Å; L103-F136 HydrophobicContact CD1-CG 4.16Å; L103-F136 HydrophobicContact CD2-CD1 3.64Å; L103-F136 HydrophobicContact CD2-CE1 4.2Å; L103-F136 HydrophobicContact CG-CD1 4.14Å; L103-F136 HydrophobicContact CG-CE1 4.47Å; V132-F136 WeakPolarHBondContact O-CB 3.18Å; V132-F136 PolarHBondContact O-N 3.44Å; T133-F136 PolarHBondContact O-N 3.31Å; S134-F136 VanDerWaalsContact C-N 3.32Å; S134-F136 PolarHBondContact O-N 2.83Å; F136-L138 VanDerWaalsContact C-N 3.32Å; F136-L138 PolarHBondContact O-N 2.85Å; F136-A139 PolarHBondContact O-N 3.13Å; F136-K140 VanDerWaalsContact O-CB 3.27Å; F136-K140 WeakPolarHBondContact O-CB 3.39Å; F136-K140 PolarHBondContact O-N 3.47Å |
| 137 | L | 84.9 | Confident | 78.2 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 175.5 | -76 | 176.5 | 0 | 0 | 0 | 112 | I100 L103 T133 S134 K140 V141 F161 | I100-L137 HydrophobicContact CG1-CD2 4.36Å; I100-L137 HydrophobicContact CG2-CD2 4.32Å; L103-L137 HydrophobicContact CD2-CD1 4.12Å; L103-L137 HydrophobicContact CD2-CD2 3.46Å; L103-L137 VanDerWaalsContact CD2-CD2 3.46Å; L103-L137 HydrophobicContact CD2-CG 3.45Å; L103-L137 VanDerWaalsContact CD2-CG 3.45Å; T133-L137 WeakPolarHBondContact O-CG 3.23Å; T133-L137 PolarHBondContact O-N 3.39Å; S134-L137 PolarHBondContact O-N 2.85Å; L137-K140 PolarHBondContact O-N 2.87Å; L137-V141 WeakPolarHBondContact O-CB 3.23Å; L137-V141 VanDerWaalsContact O-CG2 3.23Å; L137-V141 WeakPolarHBondContact O-CG2 3.38Å; L137-V141 PolarHBondContact O-N 2.72Å; L137-F161 HydrophobicContact CD1-CB 4.32Å |
| 138 | L | 83.9 | Confident | 77.2 | Confident | 96 Ų | 96 | 58.5 Ų | 58.5 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.5 | -46 | 177.9 | -175.6 | 63.7 | 0 | 0 | 0 | 111.4 | S134 A135 F136 K140 V141 I142 | S134-L138 WeakPolarHBondContact O-CB 3.45Å; S134-L138 PolarHBondContact O-N 3.43Å; A135-L138 PolarHBondContact O-N 2.83Å; F136-L138 VanDerWaalsContact C-N 3.32Å; F136-L138 PolarHBondContact O-N 2.85Å; L138-K140 VanDerWaalsContact C-N 3.34Å; L138-K140 PolarHBondContact O-N 3.46Å; L138-V141 PolarHBondContact O-N 3.41Å; L138-I142 HydrophobicContact CD1-CD1 4.05Å; L138-I142 HydrophobicContact CG-CD1 3.93Å; L138-I142 VanDerWaalsContact O-CG1 3.27Å; L138-I142 WeakPolarHBondContact O-CG1 3.35Å; L138-I142 PolarHBondContact O-N 3.1Å |
| 139 | A | 83.7 | Confident | 76 | Confident | 40 Ų | 40 | 58.5 Ų | 58.5 | 33% | 0.331 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A135 F136 I142 L143 | A135-A139 WeakPolarHBondContact O-CB 3.43Å; A135-A139 PolarHBondContact O-N 3.29Å; F136-A139 PolarHBondContact O-N 3.13Å; A139-I142 PolarHBondContact O-N 3.38Å; A139-L143 HydrophobicContact CB-CD1 4.5Å; A139-L143 VanDerWaalsContact O-CB 3.28Å; A139-L143 WeakPolarHBondContact O-CB 3.21Å; A139-L143 WeakPolarHBondContact O-CD1 3.31Å; A139-L143 WeakPolarHBondContact O-CG 3.38Å; A139-L143 PolarHBondContact O-N 2.92Å |
| 140 | K | 81.4 | Confident | 75.2 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.009 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.9 | -47.1 | 175.7 | -177.8 | 82.8 | 176.3 | 171.3 | 0 | 111.1 | Y93 S96 D99 F136 L137 L138 I142 L143 S144 | Y93-K140 PolarHBondContact O-NZ 2.87Å; S96-K140 PolarHBondContact O-NZ 3.29Å; D99-K140 HydrophobicContact CB-CD 4.3Å; D99-K140 IonicContact OD2-NZ 2.64Å; D99-K140 PolarHBondContact OD2-NZ 3.01Å; F136-K140 VanDerWaalsContact O-CB 3.27Å; F136-K140 WeakPolarHBondContact O-CB 3.39Å; F136-K140 PolarHBondContact O-N 3.47Å; L137-K140 PolarHBondContact O-N 2.87Å; L138-K140 VanDerWaalsContact C-N 3.34Å; L138-K140 PolarHBondContact O-N 3.46Å; K140-I142 VanDerWaalsContact C-N 3.33Å; K140-I142 PolarHBondContact O-N 2.77Å; K140-L143 PolarHBondContact O-N 3.42Å; K140-S144 WeakPolarHBondContact O-CB 3.31Å; K140-S144 PolarHBondContact O-N 3.48Å; K140-S144 PolarHBondContact O-OG 2.88Å |
| 141 | V | 79.1 | Confident | 74.5 | Confident | 38 Ų | 38 | 62.2 Ų | 62.2 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 178.1 | 165.2 | 0 | 0 | 0 | 0 | 111.6 | L137 L138 F147 P157 | L137-V141 WeakPolarHBondContact O-CB 3.23Å; L137-V141 VanDerWaalsContact O-CG2 3.23Å; L137-V141 WeakPolarHBondContact O-CG2 3.38Å; L137-V141 PolarHBondContact O-N 2.72Å; L138-V141 PolarHBondContact O-N 3.41Å; V141-F147 HydrophobicContact CG1-CE2 4.1Å; V141-F147 HydrophobicContact CG1-CZ 4.26Å; V141-F147 WeakPolarHBondContact O-CE2 3.28Å; V141-P157 HydrophobicContact CG2-CB 3.71Å; V141-P157 HydrophobicContact CG2-CG 4.49Å |
| 142 | I | 77.8 | Confident | 73.8 | Confident | 123 Ų | 123 | 64.7 Ų | 64.7 | 63% | 0.631 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -73.2 | -37.9 | -178.2 | -64.9 | 166.5 | 0 | 0 | 0 | 111.8 | L138 A139 K140 | L138-I142 HydrophobicContact CD1-CD1 4.05Å; L138-I142 HydrophobicContact CG-CD1 3.93Å; L138-I142 VanDerWaalsContact O-CG1 3.27Å; L138-I142 WeakPolarHBondContact O-CG1 3.35Å; L138-I142 PolarHBondContact O-N 3.1Å; A139-I142 PolarHBondContact O-N 3.38Å; K140-I142 VanDerWaalsContact C-N 3.33Å; K140-I142 PolarHBondContact O-N 2.77Å |
| 143 | L | 70 | Confident | 73.2 | Confident | 88 Ų | 88 | 60.6 Ų | 60.6 | 46% | 0.461 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -82.6 | -29.3 | -176.2 | -77.7 | 158.5 | 0 | 0 | 0 | 113.5 | Y94 A139 K140 K145 | Y94-L143 WeakPolarHBondContact CD1-O 3.31Å; Y94-L143 HydrophobicContact CE1-CB 4.4Å; Y94-L143 HydrophobicContact CE1-CD2 4.44Å; A139-L143 HydrophobicContact CB-CD1 4.5Å; A139-L143 VanDerWaalsContact O-CB 3.28Å; A139-L143 WeakPolarHBondContact O-CB 3.21Å; A139-L143 WeakPolarHBondContact O-CD1 3.31Å; A139-L143 WeakPolarHBondContact O-CG 3.38Å; A139-L143 PolarHBondContact O-N 2.92Å; K140-L143 PolarHBondContact O-N 3.42Å; L143-K145 PolarHBondContact O-N 3.31Å |
| 144 | S | 67.1 | Low | 72.9 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 4% | 0.035 | 36% | 0.361 | C | S | . | . | trans | -72.9 | 131 | -173.8 | -57.7 | 0 | 0 | 0 | 0 | 110.6 | Y94 K140 L146 | Y94-S144 WeakPolarHBondContact O-CB 3.25Å; K140-S144 WeakPolarHBondContact O-CB 3.31Å; K140-S144 PolarHBondContact O-N 3.48Å; K140-S144 PolarHBondContact O-OG 2.88Å; S144-L146 VanDerWaalsContact CB-CD1 3.48Å; S144-L146 PolarHBondContact O-N 3.45Å | ||
| 145 | K | 62.9 | Low | 72.8 | Confident | 166 Ų | 166 | 66.7 Ų | 66.7 | 72% | 0.722 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -70 | 9.9 | 171.9 | -74.3 | -153.9 | 177.4 | -179.8 | 0 | 113.6 | Y94 L143 F147 S148 | Y94-K145 PolarHBondContact O-N 2.94Å; L143-K145 PolarHBondContact O-N 3.31Å; K145-F147 PolarHBondContact O-N 2.82Å; K145-F147 VanDerWaalsContact O-N 3.15Å; K145-S148 WeakPolarHBondContact O-CB 3.26Å; K145-S148 PolarHBondContact O-N 2.95Å |
| 146 | L | 57.5 | Low | 72.6 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 5% | 0.052 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -56.5 | -25.5 | 178.2 | -71.6 | 172.3 | 0 | 0 | 0 | 113.5 | Y97 S144 S148 Q149 | Y97-L146 HydrophobicContact CD1-CD1 4.04Å; Y97-L146 HydrophobicContact CD1-CD2 4.45Å; Y97-L146 HydrophobicContact CE1-CD1 3.58Å; Y97-L146 HydrophobicContact CE1-CD2 3.53Å; Y97-L146 HydrophobicContact CE1-CG 4.14Å; Y97-L146 HydrophobicContact CE2-CD2 4.16Å; Y97-L146 VanDerWaalsContact OH-CD2 3.27Å; Y97-L146 WeakPolarHBondContact OH-CD2 3.38Å; S144-L146 VanDerWaalsContact CB-CD1 3.48Å; S144-L146 PolarHBondContact O-N 3.45Å; L146-S148 PolarHBondContact O-N 3.13Å; L146-S148 VanDerWaalsContact O-N 3.1Å; L146-Q149 PolarHBondContact O-N 2.95Å |
| 147 | F | 54.1 | Low | 72.4 | Confident | 151 Ų | 151 | 61.5 Ų | 61.5 | 66% | 0.662 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -58.4 | -21.2 | 170.9 | -83 | -76.2 | 0 | 0 | 0 | 113.9 | V141 K145 | V141-F147 HydrophobicContact CG1-CE2 4.1Å; V141-F147 HydrophobicContact CG1-CZ 4.26Å; V141-F147 WeakPolarHBondContact O-CE2 3.28Å; K145-F147 PolarHBondContact O-N 2.82Å; K145-F147 VanDerWaalsContact O-N 3.15Å |
| 148 | S | 57.1 | Low | 72.4 | Confident | 113 Ų | 113 | 65.4 Ų | 65.4 | 79% | 0.79 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -95.8 | -2.3 | 176.4 | -63.1 | 0 | 0 | 0 | 0 | 113.5 | K145 L146 | K145-S148 WeakPolarHBondContact O-CB 3.26Å; K145-S148 PolarHBondContact O-N 2.95Å; L146-S148 PolarHBondContact O-N 3.13Å; L146-S148 VanDerWaalsContact O-N 3.1Å |
| 149 | Q | 58.6 | Low | 72.5 | Confident | 76 Ų | 76 | 63 Ų | 63 | 36% | 0.355 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -113.2 | 71.2 | -170.2 | -158.2 | 169.9 | -9 | 0 | 0 | 111.2 | S95 L146 | S95-Q149 PolarHBondContact OG-OE1 2.77Å; L146-Q149 PolarHBondContact O-N 2.95Å |
| 150 | G | 65.5 | Low | 72.6 | Confident | 55 Ų | 55 | 61.5 Ų | 61.5 | 57% | 0.567 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 175.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | F152 Y154 | G150-F152 VanDerWaalsContact C-N 3.34Å; G150-Y154 WeakPolarHBondContact O-CE1 3.43Å |
| 151 | A | 67.5 | Low | 72.8 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 47% | 0.471 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -20.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y154 V155 | A151-Y154 VanDerWaalsContact C-CZ 3.44Å; A151-Y154 VanDerWaalsContact CA-CZ 3.44Å; A151-Y154 VanDerWaalsContact CA-OH 3.27Å; A151-Y154 WeakPolarHBondContact CA-OH 3.49Å; A151-Y154 HydrophobicContact CB-CE1 4.27Å; A151-Y154 VanDerWaalsContact CB-OH 3.29Å; A151-Y154 WeakPolarHBondContact CB-OH 3.18Å; A151-Y154 VanDerWaalsContact O-CE1 3.25Å; A151-Y154 WeakPolarHBondContact O-CE1 3.5Å; A151-Y154 WeakPolarHBondContact O-CE2 3.15Å; A151-Y154 PolarHBondContact O-OH 3.44Å; A151-Y154 VanDerWaalsContact O-OH 3.13Å; A151-V155 WeakPolarHBondContact O-CG2 3.48Å |
| 152 | F | 70.4 | Confident | 73.2 | Confident | 104 Ų | 104 | 66.6 Ų | 66.6 | 46% | 0.456 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -25.3 | -174 | -103.4 | -83.7 | 0 | 0 | 0 | 112 | E73 G150 Y154 V155 | E73-F152 WeakPolarHBondContact OE2-CB 3.19Å; G150-F152 VanDerWaalsContact C-N 3.34Å; F152-Y154 VanDerWaalsContact C-N 3.31Å; F152-Y154 PolarHBondContact O-N 3.17Å; F152-V155 WeakPolarHBondContact O-CB 3.42Å; F152-V155 PolarHBondContact O-N 3.25Å |
| 153 | G | 72.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -18.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | E73 Y97 P157 | E73-G153 WeakPolarHBondContact OE1-CA 3.35Å; E73-G153 PolarHBondContact OE1-N 2.91Å; Y97-G153 WeakPolarHBondContact CE1-O 3.49Å; Y97-G153 WeakPolarHBondContact OH-CA 3.41Å; G153-P157 WeakPolarHBondContact O-CD 3.49Å; G153-P157 WeakPolarHBondContact O-CG 3.08Å |
| 154 | Y | 78.2 | Confident | 74.2 | Confident | 103 Ų | 103 | 57.3 Ų | 57.3 | 40% | 0.404 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -23.4 | 170.4 | 49.8 | -105.4 | 0 | 0 | 0 | 113 | G150 A151 F152 L156 P157 I158 | G150-Y154 WeakPolarHBondContact O-CE1 3.43Å; A151-Y154 VanDerWaalsContact C-CZ 3.44Å; A151-Y154 VanDerWaalsContact CA-CZ 3.44Å; A151-Y154 VanDerWaalsContact CA-OH 3.27Å; A151-Y154 WeakPolarHBondContact CA-OH 3.49Å; A151-Y154 HydrophobicContact CB-CE1 4.27Å; A151-Y154 VanDerWaalsContact CB-OH 3.29Å; A151-Y154 WeakPolarHBondContact CB-OH 3.18Å; A151-Y154 VanDerWaalsContact O-CE1 3.25Å; A151-Y154 WeakPolarHBondContact O-CE1 3.5Å; A151-Y154 WeakPolarHBondContact O-CE2 3.15Å; A151-Y154 PolarHBondContact O-OH 3.44Å; A151-Y154 VanDerWaalsContact O-OH 3.13Å; F152-Y154 VanDerWaalsContact C-N 3.31Å; F152-Y154 PolarHBondContact O-N 3.17Å; Y154-L156 PolarHBondContact O-N 3.32Å; Y154-P157 WeakPolarHBondContact O-CD 3.36Å; Y154-P157 WeakPolarHBondContact O-CG 3.28Å; Y154-I158 HydrophobicContact CD2-CD1 4.24Å; Y154-I158 VanDerWaalsContact O-CB 3.28Å; Y154-I158 WeakPolarHBondContact O-CB 3.4Å; Y154-I158 VanDerWaalsContact O-CD1 3.29Å; Y154-I158 WeakPolarHBondContact O-CD1 3.42Å; Y154-I158 WeakPolarHBondContact O-CG1 3.15Å; Y154-I158 PolarHBondContact O-N 2.84Å; Y154-I158 VanDerWaalsContact O-N 3.13Å |
| 155 | V | 83.4 | Confident | 74.9 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 29% | 0.291 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | -175.5 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | A151 F152 I158 I159 | A151-V155 WeakPolarHBondContact O-CG2 3.48Å; F152-V155 WeakPolarHBondContact O-CB 3.42Å; F152-V155 PolarHBondContact O-N 3.25Å; V155-I158 PolarHBondContact O-N 2.78Å; V155-I159 HydrophobicContact CG1-CG1 3.89Å; V155-I159 VanDerWaalsContact O-CB 3.23Å; V155-I159 WeakPolarHBondContact O-CB 3.13Å; V155-I159 WeakPolarHBondContact O-CG1 3.27Å; V155-I159 PolarHBondContact O-N 2.88Å |
| 156 | L | 82.3 | Confident | 75.8 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.5 | -53.2 | -176.9 | -165 | 154.2 | 0 | 0 | 0 | 113.3 | L69 W70 E73 Y97 I100 Y154 S160 | L69-L156 HydrophobicContact CB-CD1 4.32Å; L69-L156 HydrophobicContact CB-CG 4.28Å; W70-L156 VanDerWaalsContact CA-CD1 3.46Å; W70-L156 HydrophobicContact CB-CD1 4.06Å; E73-L156 HydrophobicContact CB-CD1 4.03Å; E73-L156 HydrophobicContact CG-CD1 4.41Å; Y97-L156 HydrophobicContact CD1-CB 4.5Å; Y97-L156 HydrophobicContact CD1-CD1 4.36Å; Y97-L156 HydrophobicContact CD1-CD2 4.08Å; Y97-L156 HydrophobicContact CG-CD1 4.33Å; I100-L156 HydrophobicContact CB-CD2 3.79Å; I100-L156 HydrophobicContact CD1-CD2 3.51Å; I100-L156 HydrophobicContact CG1-CD2 4.26Å; I100-L156 HydrophobicContact CG2-CD2 3.59Å; Y154-L156 PolarHBondContact O-N 3.32Å; L156-S160 VanDerWaalsContact O-CB 3.31Å; L156-S160 WeakPolarHBondContact O-CB 3.18Å; L156-S160 PolarHBondContact O-N 3.43Å |
| 157 | P | 81.8 | Confident | 76.9 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.6 | -36 | 176.6 | 22 | -30.8 | 0 | 0 | 0 | 113.9 | I100 V141 G153 Y154 S160 F161 | I100-P157 HydrophobicContact CD1-CB 3.84Å; I100-P157 HydrophobicContact CD1-CG 4.41Å; V141-P157 HydrophobicContact CG2-CB 3.71Å; V141-P157 HydrophobicContact CG2-CG 4.49Å; G153-P157 WeakPolarHBondContact O-CD 3.49Å; G153-P157 WeakPolarHBondContact O-CG 3.08Å; Y154-P157 WeakPolarHBondContact O-CD 3.36Å; Y154-P157 WeakPolarHBondContact O-CG 3.28Å; P157-S160 PolarHBondContact O-N 3.02Å; P157-F161 WeakPolarHBondContact O-CB 3.39Å; P157-F161 PolarHBondContact O-N 3.34Å |
| 158 | I | 85.3 | Confident | 78 | Confident | 86 Ų | 86 | 53.1 Ų | 53.1 | 44% | 0.441 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 177.5 | -69.7 | 169.2 | 0 | 0 | 0 | 110.4 | Y154 V155 F161 I162 | Y154-I158 HydrophobicContact CD2-CD1 4.24Å; Y154-I158 VanDerWaalsContact O-CB 3.28Å; Y154-I158 WeakPolarHBondContact O-CB 3.4Å; Y154-I158 VanDerWaalsContact O-CD1 3.29Å; Y154-I158 WeakPolarHBondContact O-CD1 3.42Å; Y154-I158 WeakPolarHBondContact O-CG1 3.15Å; Y154-I158 PolarHBondContact O-N 2.84Å; Y154-I158 VanDerWaalsContact O-N 3.13Å; V155-I158 PolarHBondContact O-N 2.78Å; I158-F161 WeakPolarHBondContact O-CB 3.21Å; I158-F161 PolarHBondContact O-N 3.48Å; I158-I162 HydrophobicContact CG2-CD1 3.78Å; I158-I162 HydrophobicContact CG2-CG1 4.49Å; I158-I162 VanDerWaalsContact O-CG1 3.32Å; I158-I162 WeakPolarHBondContact O-CG1 3.43Å; I158-I162 PolarHBondContact O-N 3.48Å |
| 159 | I | 86.8 | Confident | 79 | Confident | 46 Ų | 46 | 55.3 Ų | 55.3 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.8 | -42.3 | 179.4 | -68 | -68.2 | 0 | 0 | 0 | 110.7 | F65 L69 V155 F161 I162 L163 | F65-I159 HydrophobicContact CD1-CG2 4.12Å; F65-I159 HydrophobicContact CE1-CG2 3.39Å; F65-I159 HydrophobicContact CZ-CG2 4.2Å; L69-I159 HydrophobicContact CD1-CB 3.94Å; L69-I159 HydrophobicContact CD1-CG2 3.45Å; L69-I159 VanDerWaalsContact CD1-CG2 3.45Å; V155-I159 HydrophobicContact CG1-CG1 3.89Å; V155-I159 VanDerWaalsContact O-CB 3.23Å; V155-I159 WeakPolarHBondContact O-CB 3.13Å; V155-I159 WeakPolarHBondContact O-CG1 3.27Å; V155-I159 PolarHBondContact O-N 2.88Å; I159-F161 VanDerWaalsContact C-N 3.26Å; I159-F161 PolarHBondContact O-N 2.99Å; I159-I162 PolarHBondContact O-N 3.42Å; I159-I162 VanDerWaalsContact O-N 3.17Å; I159-L163 HydrophobicContact CG2-CD1 3.81Å; I159-L163 HydrophobicContact CG2-CG 4.14Å; I159-L163 VanDerWaalsContact O-CG 3.23Å; I159-L163 WeakPolarHBondContact O-CG 3.46Å; I159-L163 PolarHBondContact O-N 3.46Å |
| 160 | S | 86 | Confident | 79.7 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 6% | 0.056 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.5 | -41.3 | 173.7 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | I100 L156 P157 A164 | I100-S160 WeakPolarHBondContact CG2-OG 3.11Å; L156-S160 VanDerWaalsContact O-CB 3.31Å; L156-S160 WeakPolarHBondContact O-CB 3.18Å; L156-S160 PolarHBondContact O-N 3.43Å; P157-S160 PolarHBondContact O-N 3.02Å; S160-A164 WeakPolarHBondContact O-CB 3.23Å; S160-A164 PolarHBondContact O-N 2.59Å |
| 161 | F | 85.9 | Confident | 80 | Confident | 73 Ų | 73 | 50.9 Ų | 50.9 | 32% | 0.32 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.5 | -45.6 | 175.2 | 179 | -100.2 | 0 | 0 | 0 | 112.5 | L137 P157 I158 I159 L163 A164 W165 | L137-F161 HydrophobicContact CD1-CB 4.32Å; P157-F161 WeakPolarHBondContact O-CB 3.39Å; P157-F161 PolarHBondContact O-N 3.34Å; I158-F161 WeakPolarHBondContact O-CB 3.21Å; I158-F161 PolarHBondContact O-N 3.48Å; I159-F161 VanDerWaalsContact C-N 3.26Å; I159-F161 PolarHBondContact O-N 2.99Å; F161-L163 PolarHBondContact O-N 2.94Å; F161-A164 WeakPolarHBondContact O-CB 3.3Å; F161-A164 PolarHBondContact O-N 2.92Å; F161-A164 VanDerWaalsContact O-N 3.16Å; F161-W165 AromaticContact CE1-CD1 3.68Å; F161-W165 AromaticContact CE1-NE1 3.73Å; F161-W165 AromaticContact CE2-CD1 3.69Å; F161-W165 AromaticContact CE2-NE1 3.28Å; F161-W165 VanDerWaalsContact CE2-NE1 3.28Å; F161-W165 AromaticContact CZ-CD1 3.48Å; F161-W165 VanDerWaalsContact CZ-CD1 3.48Å; F161-W165 AromaticContact CZ-NE1 3.06Å; F161-W165 PolarHBondContact O-N 3.36Å; F161-W165 VanDerWaalsContact O-N 3.13Å |
| 162 | I | 87.5 | Confident | 80.1 | Confident | 73 Ų | 73 | 50.5 Ų | 50.5 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 178.4 | -69.7 | 168.2 | 0 | 0 | 0 | 110.6 | I158 I159 A164 W165 I166 | I158-I162 HydrophobicContact CG2-CD1 3.78Å; I158-I162 HydrophobicContact CG2-CG1 4.49Å; I158-I162 VanDerWaalsContact O-CG1 3.32Å; I158-I162 WeakPolarHBondContact O-CG1 3.43Å; I158-I162 PolarHBondContact O-N 3.48Å; I159-I162 PolarHBondContact O-N 3.42Å; I159-I162 VanDerWaalsContact O-N 3.17Å; I162-A164 PolarHBondContact O-N 3.43Å; I162-W165 PolarHBondContact O-N 3.1Å; I162-I166 HydrophobicContact CG2-CD1 3.55Å; I162-I166 HydrophobicContact CG2-CG1 4.12Å; I162-I166 VanDerWaalsContact O-CG1 3.32Å; I162-I166 WeakPolarHBondContact O-CG1 3.1Å; I162-I166 PolarHBondContact O-N 3.06Å |
| 163 | L | 84.8 | Confident | 79.8 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.2 | -32.3 | 176.6 | -64.2 | 164.1 | 0 | 0 | 0 | 112.1 | D62 F65 V66 R107 I159 F161 W165 E167 | D62-L163 WeakPolarHBondContact OD1-CB 3.49Å; D62-L163 WeakPolarHBondContact OD1-CD1 3.15Å; F65-L163 HydrophobicContact CD1-CD1 3.45Å; F65-L163 VanDerWaalsContact CD1-CD1 3.45Å; F65-L163 HydrophobicContact CD1-CD2 3.94Å; F65-L163 HydrophobicContact CD1-CG 4.21Å; F65-L163 HydrophobicContact CE1-CD1 4.04Å; F65-L163 HydrophobicContact CE1-CD2 4.29Å; V66-L163 HydrophobicContact CG2-CD1 3.85Å; R107-L163 PolarHBondContact NH2-O 3.4Å; I159-L163 HydrophobicContact CG2-CD1 3.81Å; I159-L163 HydrophobicContact CG2-CG 4.14Å; I159-L163 VanDerWaalsContact O-CG 3.23Å; I159-L163 WeakPolarHBondContact O-CG 3.46Å; I159-L163 PolarHBondContact O-N 3.46Å; F161-L163 PolarHBondContact O-N 2.94Å; L163-W165 VanDerWaalsContact C-N 3.34Å; L163-E167 VanDerWaalsContact O-CB 3.25Å; L163-E167 WeakPolarHBondContact O-CB 3.49Å; L163-E167 PolarHBondContact O-N 3.47Å |
| 164 | A | 82.7 | Confident | 79.3 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R107 S160 F161 I162 T168 | R107-A164 VanDerWaalsContact NH1-CA 3.3Å; S160-A164 WeakPolarHBondContact O-CB 3.23Å; S160-A164 PolarHBondContact O-N 2.59Å; F161-A164 WeakPolarHBondContact O-CB 3.3Å; F161-A164 PolarHBondContact O-N 2.92Å; F161-A164 VanDerWaalsContact O-N 3.16Å; I162-A164 PolarHBondContact O-N 3.43Å; A164-T168 WeakPolarHBondContact O-CB 3.48Å; A164-T168 PolarHBondContact O-N 2.71Å; A164-T168 VanDerWaalsContact O-N 3.14Å; A164-T168 PolarHBondContact O-OG1 3.28Å |
| 165 | W | 82.3 | Confident | 78.3 | Confident | 144 Ų | 144 | 53 Ų | 53 | 55% | 0.545 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.7 | -42.1 | 175.2 | -84.1 | 88.9 | 0 | 0 | 0 | 113.1 | F161 I162 L163 T168 W169 | F161-W165 AromaticContact CE1-CD1 3.68Å; F161-W165 AromaticContact CE1-NE1 3.73Å; F161-W165 AromaticContact CE2-CD1 3.69Å; F161-W165 AromaticContact CE2-NE1 3.28Å; F161-W165 VanDerWaalsContact CE2-NE1 3.28Å; F161-W165 AromaticContact CZ-CD1 3.48Å; F161-W165 VanDerWaalsContact CZ-CD1 3.48Å; F161-W165 AromaticContact CZ-NE1 3.06Å; F161-W165 PolarHBondContact O-N 3.36Å; F161-W165 VanDerWaalsContact O-N 3.13Å; I162-W165 PolarHBondContact O-N 3.1Å; L163-W165 VanDerWaalsContact C-N 3.34Å; W165-T168 PolarHBondContact O-N 2.73Å; W165-W169 WeakPolarHBondContact O-CB 3.41Å; W165-W169 PolarHBondContact O-N 3.18Å |
| 166 | I | 82.3 | Confident | 77.2 | Confident | 77 Ų | 77 | 52.2 Ų | 52.2 | 40% | 0.395 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 176.8 | -64.6 | 172.2 | 0 | 0 | 0 | 110.3 | F58 I162 T168 W169 F170 | F58-I166 HydrophobicContact CE2-CG2 3.98Å; F58-I166 HydrophobicContact CZ-CB 4.24Å; F58-I166 HydrophobicContact CZ-CG2 3.59Å; I162-I166 HydrophobicContact CG2-CD1 3.55Å; I162-I166 HydrophobicContact CG2-CG1 4.12Å; I162-I166 VanDerWaalsContact O-CG1 3.32Å; I162-I166 WeakPolarHBondContact O-CG1 3.1Å; I162-I166 PolarHBondContact O-N 3.06Å; I166-T168 VanDerWaalsContact C-N 3.34Å; I166-T168 PolarHBondContact O-N 2.61Å; I166-W169 PolarHBondContact O-N 3.5Å; I166-F170 WeakPolarHBondContact O-CB 3.21Å; I166-F170 PolarHBondContact O-N 3.48Å |
| 167 | E | 79.4 | Confident | 75.8 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54.2 | -56 | 174.1 | -170.5 | 168.8 | -124.1 | 0 | 0 | 109.3 | F58 V59 R107 L111 L163 W169 F170 L171 | F58-E167 HydrophobicContact CD1-CB 3.97Å; F58-E167 HydrophobicContact CD1-CG 3.7Å; F58-E167 HydrophobicContact CE1-CB 3.43Å; F58-E167 VanDerWaalsContact CE1-CB 3.43Å; F58-E167 HydrophobicContact CE1-CG 3.73Å; F58-E167 HydrophobicContact CZ-CB 4.41Å; V59-E167 VanDerWaalsContact CA-OE1 3.31Å; V59-E167 WeakPolarHBondContact CA-OE1 3.37Å; V59-E167 VanDerWaalsContact CG2-OE1 3.25Å; V59-E167 WeakPolarHBondContact CG2-OE1 3.33Å; R107-E167 IonicContact CZ-OE2 3.33Å; R107-E167 IonicContact NE-OE2 2.71Å; R107-E167 IonicContact NH1-OE2 3.53Å; R107-E167 PolarHBondContact NH1-OE2 2.84Å; R107-E167 IonicContact NH2-OE2 2.87Å; R107-E167 PolarHBondContact NH2-OE2 2.99Å; L111-E167 HydrophobicContact CD2-CG 4.14Å; L111-E167 WeakPolarHBondContact CD2-OE1 3.18Å; L111-E167 WeakPolarHBondContact CD2-OE2 3.48Å; L163-E167 VanDerWaalsContact O-CB 3.25Å; L163-E167 WeakPolarHBondContact O-CB 3.49Å; L163-E167 PolarHBondContact O-N 3.47Å; E167-W169 PolarHBondContact O-N 2.97Å; E167-F170 WeakPolarHBondContact O-CB 3.45Å; E167-F170 PolarHBondContact O-N 3.23Å; E167-F170 VanDerWaalsContact O-N 3.13Å; E167-L171 HydrophobicContact CG-CD1 3.94Å; E167-L171 HydrophobicContact CG-CG 4.26Å; E167-L171 WeakPolarHBondContact O-CG 3.31Å; E167-L171 PolarHBondContact O-N 3.42Å |
| 168 | T | 77.3 | Confident | 74.6 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | -174.7 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | T130 A164 W165 I166 F170 L171 D172 | T130-T168 VanDerWaalsContact CB-OG1 3.3Å; T130-T168 WeakPolarHBondContact CB-OG1 3.39Å; T130-T168 HydrophobicContact CG2-CG2 4Å; T130-T168 WeakPolarHBondContact CG2-OG1 3.42Å; T130-T168 PolarHBondContact OG1-OG1 2.78Å; A164-T168 WeakPolarHBondContact O-CB 3.48Å; A164-T168 PolarHBondContact O-N 2.71Å; A164-T168 VanDerWaalsContact O-N 3.14Å; A164-T168 PolarHBondContact O-OG1 3.28Å; W165-T168 PolarHBondContact O-N 2.73Å; I166-T168 VanDerWaalsContact C-N 3.34Å; I166-T168 PolarHBondContact O-N 2.61Å; T168-F170 VanDerWaalsContact C-N 3.33Å; T168-F170 PolarHBondContact O-N 2.72Å; T168-L171 WeakPolarHBondContact O-CB 3.19Å; T168-L171 PolarHBondContact O-N 3.12Å; T168-D172 WeakPolarHBondContact O-CB 3.28Å; T168-D172 PolarHBondContact O-N 3.49Å |
| 169 | W | 78.1 | Confident | 73.4 | Confident | 158 Ų | 158 | 56.2 Ų | 56.2 | 60% | 0.598 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 176 | -172.6 | 85.6 | 0 | 0 | 0 | 111.5 | W165 I166 E167 D172 F173 | W165-W169 WeakPolarHBondContact O-CB 3.41Å; W165-W169 PolarHBondContact O-N 3.18Å; I166-W169 PolarHBondContact O-N 3.5Å; E167-W169 PolarHBondContact O-N 2.97Å; W169-D172 PolarHBondContact O-N 3.19Å; W169-F173 AromaticContact CD1-CD2 3.31Å; W169-F173 AromaticContact CD1-CE2 3.27Å; W169-F173 AromaticContact CD2-CD2 3.92Å; W169-F173 HydrophobicContact CD2-CD2 3.92Å; W169-F173 AromaticContact CE2-CD2 3.56Å; W169-F173 AromaticContact CG-CD2 3.76Å; W169-F173 HydrophobicContact CG-CD2 3.76Å; W169-F173 HydrophobicContact CG-CE2 4.16Å; W169-F173 HydrophobicContact CZ2-CD2 4.28Å; W169-F173 AromaticContact NE1-CD2 3.15Å; W169-F173 AromaticContact NE1-CE2 3.14Å; W169-F173 WeakPolarHBondContact O-CB 3.28Å; W169-F173 WeakPolarHBondContact O-CD2 2.99Å; W169-F173 PolarHBondContact O-N 3.5Å |
| 170 | F | 73.5 | Confident | 72 | Confident | 33 Ų | 33 | 57 Ų | 57 | 15% | 0.145 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.7 | -40 | 176.3 | -171.7 | -90.1 | 0 | 0 | 0 | 112.1 | T54 I166 E167 T168 D172 K174 V175 | T54-F170 HydrophobicContact CG2-CE1 3.85Å; T54-F170 HydrophobicContact CG2-CZ 3.56Å; I166-F170 WeakPolarHBondContact O-CB 3.21Å; I166-F170 PolarHBondContact O-N 3.48Å; E167-F170 WeakPolarHBondContact O-CB 3.45Å; E167-F170 PolarHBondContact O-N 3.23Å; E167-F170 VanDerWaalsContact O-N 3.13Å; T168-F170 VanDerWaalsContact C-N 3.33Å; T168-F170 PolarHBondContact O-N 2.72Å; F170-D172 VanDerWaalsContact C-N 3.34Å; F170-K174 HydrophobicContact CD2-CD 4.24Å; F170-K174 HydrophobicContact CE2-CD 3.62Å; F170-K174 HydrophobicContact CZ-CD 3.98Å; F170-K174 WeakPolarHBondContact O-CB 3.4Å; F170-K174 PolarHBondContact O-N 3.14Å; F170-V175 HydrophobicContact CD1-CG2 4.37Å; F170-V175 HydrophobicContact CE1-CG2 4.08Å |
| 171 | L | 72.3 | Confident | 70.6 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -61.2 | -45.2 | 173.7 | -64.5 | 179.3 | 0 | 0 | 0 | 111.7 | F55 L111 I126 E167 T168 L176 | F55-L171 HydrophobicContact CD2-CD2 3.07Å; F55-L171 HydrophobicContact CD2-CG 4.46Å; F55-L171 HydrophobicContact CE2-CD1 4.13Å; F55-L171 HydrophobicContact CE2-CD2 3.16Å; F55-L171 HydrophobicContact CE2-CG 4.28Å; F55-L171 HydrophobicContact CG-CD2 4.37Å; L111-L171 HydrophobicContact CD2-CD1 3.9Å; I126-L171 HydrophobicContact CG2-CB 4.41Å; I126-L171 HydrophobicContact CG2-CD1 3.47Å; I126-L171 VanDerWaalsContact CG2-CD1 3.47Å; E167-L171 HydrophobicContact CG-CD1 3.94Å; E167-L171 HydrophobicContact CG-CG 4.26Å; E167-L171 WeakPolarHBondContact O-CG 3.31Å; E167-L171 PolarHBondContact O-N 3.42Å; T168-L171 WeakPolarHBondContact O-CB 3.19Å; T168-L171 PolarHBondContact O-N 3.12Å; L171-L176 WeakPolarHBondContact O-CD1 3.02Å; L171-L176 PolarHBondContact O-N 2.66Å |
| 172 | D | 70.3 | Confident | 69.3 | Low | 49 Ų | 49 | 61.8 Ų | 61.8 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | I | π-helix | trans | -71.7 | -52.7 | -173.6 | -165.4 | 20.6 | 0 | 0 | 0 | 112.5 | W123 T168 W169 F170 | W123-D172 WeakPolarHBondContact CZ2-OD1 3.27Å; W123-D172 WeakPolarHBondContact CZ2-OD2 3.4Å; W123-D172 VanDerWaalsContact NE1-CG 3.34Å; W123-D172 PolarHBondContact NE1-OD1 2.81Å; T168-D172 WeakPolarHBondContact O-CB 3.28Å; T168-D172 PolarHBondContact O-N 3.49Å; W169-D172 PolarHBondContact O-N 3.19Å; F170-D172 VanDerWaalsContact C-N 3.34Å |
| 173 | F | 62.6 | Low | 68 | Low | 129 Ų | 129 | 63.8 Ų | 63.8 | 57% | 0.566 | 31% | 0.305 | S | S | * | . | I | π-helix | trans | -85.3 | -20.9 | -172.5 | -75.6 | -76.8 | 0 | 0 | 0 | 115.1 | W169 | W169-F173 AromaticContact CD1-CD2 3.31Å; W169-F173 AromaticContact CD1-CE2 3.27Å; W169-F173 AromaticContact CD2-CD2 3.92Å; W169-F173 HydrophobicContact CD2-CD2 3.92Å; W169-F173 AromaticContact CE2-CD2 3.56Å; W169-F173 AromaticContact CG-CD2 3.76Å; W169-F173 HydrophobicContact CG-CD2 3.76Å; W169-F173 HydrophobicContact CG-CE2 4.16Å; W169-F173 HydrophobicContact CZ2-CD2 4.28Å; W169-F173 AromaticContact NE1-CD2 3.15Å; W169-F173 AromaticContact NE1-CE2 3.14Å; W169-F173 WeakPolarHBondContact O-CB 3.28Å; W169-F173 WeakPolarHBondContact O-CD2 2.99Å; W169-F173 PolarHBondContact O-N 3.5Å |
| 174 | K | 62.2 | Low | 66.9 | Low | 127 Ų | 127 | 67.4 Ų | 67.4 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | I | π-helix | trans | -122.9 | -26.4 | -166.5 | -160.7 | 166.4 | 167 | 165 | 0 | 115.3 | F170 | F170-K174 HydrophobicContact CD2-CD 4.24Å; F170-K174 HydrophobicContact CE2-CD 3.62Å; F170-K174 HydrophobicContact CZ-CD 3.98Å; F170-K174 WeakPolarHBondContact O-CB 3.4Å; F170-K174 PolarHBondContact O-N 3.14Å |
| 175 | V | 58.6 | Low | 65.8 | Low | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | I | π-helix | trans | -100.8 | -38 | -175.5 | 162.4 | 0 | 0 | 0 | 0 | 112.5 | V51 L120 F170 E179 | V51-V175 HydrophobicContact CG1-CB 3.76Å; V51-V175 HydrophobicContact CG1-CG1 3.61Å; V51-V175 HydrophobicContact CG1-CG2 3.59Å; L120-V175 HydrophobicContact CD1-CG1 4.18Å; F170-V175 HydrophobicContact CD1-CG2 4.37Å; F170-V175 HydrophobicContact CE1-CG2 4.08Å; V175-E179 WeakPolarHBondContact O-CG 3.18Å; V175-E179 PolarHBondContact O-N 2.98Å |
| 176 | L | 58.3 | Low | 64.8 | Low | 32 Ų | 32 | 72.5 Ų | 72.5 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.9 | -40.9 | -175.3 | -77.9 | 154.2 | 0 | 0 | 0 | 115.6 | L120 W123 L171 Q178 A180 | L120-L176 WeakPolarHBondContact O-CD2 3.42Å; W123-L176 HydrophobicContact CB-CD1 4.26Å; W123-L176 HydrophobicContact CB-CD2 4.5Å; W123-L176 HydrophobicContact CG-CD1 3.93Å; L171-L176 WeakPolarHBondContact O-CD1 3.02Å; L171-L176 PolarHBondContact O-N 2.66Å; L176-Q178 VanDerWaalsContact C-N 3.27Å; L176-Q178 PolarHBondContact O-N 2.81Å; L176-A180 VanDerWaalsContact O-CB 3.27Å; L176-A180 WeakPolarHBondContact O-CB 3.46Å; L176-A180 PolarHBondContact O-N 3.34Å; L176-A180 VanDerWaalsContact O-N 3.13Å |
| 177 | P | 54.6 | Low | 63.7 | Low | 72 Ų | 72 | 73.3 Ų | 73.3 | 47% | 0.468 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 175.4 | -18.2 | 30.6 | 0 | 0 | 0 | 111 | E181 | P177-E181 WeakPolarHBondContact O-CB 3.12Å; P177-E181 PolarHBondContact O-N 2.74Å |
| 178 | Q | 55.2 | Low | 63 | Low | 88 Ų | 88 | 78 Ų | 78 | 41% | 0.411 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -72.7 | -41.7 | -174.6 | -162.6 | 171.7 | -2.3 | 0 | 0 | 112.3 | V51 L176 E182 | V51-Q178 HydrophobicContact CG2-CB 4.29Å; V51-Q178 VanDerWaalsContact CG2-CD 3.46Å; V51-Q178 HydrophobicContact CG2-CG 3.91Å; L176-Q178 VanDerWaalsContact C-N 3.27Å; L176-Q178 PolarHBondContact O-N 2.81Å; Q178-E182 WeakPolarHBondContact O-CB 3.11Å; Q178-E182 VanDerWaalsContact O-CG 3.28Å; Q178-E182 WeakPolarHBondContact O-CG 3.22Å; Q178-E182 PolarHBondContact O-N 3.1Å |
| 179 | E | 60.3 | Low | 62.3 | Low | 24 Ų | 24 | 81.5 Ų | 81.5 | 11% | 0.112 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -72.3 | -37.6 | 175.7 | -67.1 | -90.3 | 147.6 | 0 | 0 | 112.2 | S49 V51 R52 V175 E181 E182 E183 | S49-E179 WeakPolarHBondContact CB-OE1 3.32Å; S49-E179 PolarHBondContact OG-OE1 2.85Å; V51-E179 HydrophobicContact CB-CG 4.44Å; V51-E179 WeakPolarHBondContact CB-OE1 3.35Å; V51-E179 HydrophobicContact CG1-CG 3.97Å; R52-E179 WeakPolarHBondContact CG-OE1 3.44Å; R52-E179 IonicContact CZ-OE2 3.53Å; R52-E179 VanDerWaalsContact CZ-OE2 3.26Å; R52-E179 IonicContact NE-OE1 3.78Å; R52-E179 PolarHBondContact NE-OE1 3.36Å; R52-E179 IonicContact NE-OE2 2.88Å; R52-E179 PolarHBondContact NE-OE2 2.81Å; R52-E179 IonicContact NH2-OE2 3.2Å; R52-E179 PolarHBondContact NH2-OE2 3.42Å; V175-E179 WeakPolarHBondContact O-CG 3.18Å; V175-E179 PolarHBondContact O-N 2.98Å; E179-E181 VanDerWaalsContact C-N 3.35Å; E179-E182 PolarHBondContact O-N 2.82Å; E179-E183 WeakPolarHBondContact O-CB 3.4Å; E179-E183 PolarHBondContact O-N 3.4Å |
| 180 | A | 58.1 | Low | 61.4 | Low | 62 Ų | 62 | 78.8 Ų | 78.8 | 51% | 0.512 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67 | -37.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L176 N184 | L176-A180 VanDerWaalsContact O-CB 3.27Å; L176-A180 WeakPolarHBondContact O-CB 3.46Å; L176-A180 PolarHBondContact O-N 3.34Å; L176-A180 VanDerWaalsContact O-N 3.13Å; A180-N184 WeakPolarHBondContact O-CB 3.28Å; A180-N184 PolarHBondContact O-N 3.29Å |
| 181 | E | 56.9 | Low | 60.7 | Low | 99 Ų | 99 | 81 Ų | 81 | 46% | 0.463 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -73.1 | -37.8 | 176.3 | -167.2 | 178.8 | 168.5 | 0 | 0 | 112.1 | P177 E179 N184 R185 | P177-E181 WeakPolarHBondContact O-CB 3.12Å; P177-E181 PolarHBondContact O-N 2.74Å; E179-E181 VanDerWaalsContact C-N 3.35Å; E181-N184 PolarHBondContact O-N 3.43Å; E181-R185 HydrophobicContact CG-CG 4.49Å; E181-R185 VanDerWaalsContact O-CB 3.31Å; E181-R185 WeakPolarHBondContact O-CB 3.27Å; E181-R185 WeakPolarHBondContact O-CG 3.16Å; E181-R185 PolarHBondContact O-N 2.82Å; E181-R185 IonicContact OE1-CZ 2.98Å; E181-R185 IonicContact OE1-NE 3.42Å; E181-R185 PolarHBondContact OE1-NE 3.41Å; E181-R185 VanDerWaalsContact OE1-NE 3.1Å; E181-R185 IonicContact OE1-NH2 3.1Å; E181-R185 PolarHBondContact OE1-NH2 2.91Å |
| 182 | E | 58.8 | Low | 60.1 | Low | 82 Ų | 82 | 83.3 Ų | 83.3 | 38% | 0.383 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 175.1 | -77.8 | 177.6 | -168 | 0 | 0 | 112.3 | Q178 E179 R185 L186 | Q178-E182 WeakPolarHBondContact O-CB 3.11Å; Q178-E182 VanDerWaalsContact O-CG 3.28Å; Q178-E182 WeakPolarHBondContact O-CG 3.22Å; Q178-E182 PolarHBondContact O-N 3.1Å; E179-E182 PolarHBondContact O-N 2.82Å; E182-R185 PolarHBondContact O-N 3.19Å; E182-L186 PolarHBondContact O-N 2.91Å |
| 183 | E | 59.6 | Low | 59.5 | Low | 116 Ų | 116 | 84.6 Ų | 84.6 | 54% | 0.542 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 174.4 | -172.4 | 174.8 | 172.7 | 0 | 0 | 111.3 | E179 R185 L186 L187 | E179-E183 WeakPolarHBondContact O-CB 3.4Å; E179-E183 PolarHBondContact O-N 3.4Å; E183-R185 PolarHBondContact O-N 2.64Å; E183-L186 PolarHBondContact O-N 3.17Å; E183-L187 HydrophobicContact CG-CD1 4.12Å; E183-L187 WeakPolarHBondContact O-CB 3.44Å; E183-L187 VanDerWaalsContact O-CG 3.3Å; E183-L187 WeakPolarHBondContact O-CG 3.21Å; E183-L187 PolarHBondContact O-N 3.5Å |
| 184 | N | 61 | Low | 59.1 | Low | 90 Ų | 90 | 82.9 Ų | 82.9 | 48% | 0.481 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 176.2 | -170.2 | -74 | 0 | 0 | 0 | 111.8 | A180 E181 L187 I188 | A180-N184 WeakPolarHBondContact O-CB 3.28Å; A180-N184 PolarHBondContact O-N 3.29Å; E181-N184 PolarHBondContact O-N 3.43Å; N184-L187 PolarHBondContact O-N 2.85Å; N184-I188 WeakPolarHBondContact O-CB 3.39Å; N184-I188 WeakPolarHBondContact O-CG1 3.21Å; N184-I188 PolarHBondContact O-N 3.34Å; N184-I188 WeakPolarHBondContact OD1-CD1 3.37Å |
| 185 | R | 59.8 | Low | 58.7 | Low | 151 Ų | 151 | 85 Ų | 85 | 57% | 0.57 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.3 | -41.9 | 175 | -76.1 | 174.4 | -177.7 | -79.2 | -0.2 | 112.2 | E181 E182 E183 I188 V189 | E181-R185 HydrophobicContact CG-CG 4.49Å; E181-R185 VanDerWaalsContact O-CB 3.31Å; E181-R185 WeakPolarHBondContact O-CB 3.27Å; E181-R185 WeakPolarHBondContact O-CG 3.16Å; E181-R185 PolarHBondContact O-N 2.82Å; E181-R185 IonicContact OE1-CZ 2.98Å; E181-R185 IonicContact OE1-NE 3.42Å; E181-R185 PolarHBondContact OE1-NE 3.41Å; E181-R185 VanDerWaalsContact OE1-NE 3.1Å; E181-R185 IonicContact OE1-NH2 3.1Å; E181-R185 PolarHBondContact OE1-NH2 2.91Å; E182-R185 PolarHBondContact O-N 3.19Å; E183-R185 PolarHBondContact O-N 2.64Å; R185-I188 PolarHBondContact O-N 2.94Å; R185-V189 WeakPolarHBondContact O-CB 3.09Å; R185-V189 WeakPolarHBondContact O-CG2 3.14Å; R185-V189 PolarHBondContact O-N 3.17Å |
| 186 | L | 61.2 | Low | 58.3 | Low | 101 Ų | 101 | 88.1 Ų | 88.1 | 53% | 0.529 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 175 | -78.6 | 172.3 | 0 | 0 | 0 | 111.7 | E182 E183 V189 Q190 | E182-L186 PolarHBondContact O-N 2.91Å; E183-L186 PolarHBondContact O-N 3.17Å; L186-V189 PolarHBondContact O-N 2.7Å; L186-Q190 VanDerWaalsContact O-CB 3.28Å; L186-Q190 WeakPolarHBondContact O-CB 3.23Å; L186-Q190 PolarHBondContact O-N 2.77Å |
| 187 | L | 59.9 | Low | 58 | Low | 95 Ų | 95 | 90.6 Ų | 90.6 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 175.4 | -72.7 | 170.7 | 0 | 0 | 0 | 112.3 | E183 N184 Q190 D191 | E183-L187 HydrophobicContact CG-CD1 4.12Å; E183-L187 WeakPolarHBondContact O-CB 3.44Å; E183-L187 VanDerWaalsContact O-CG 3.3Å; E183-L187 WeakPolarHBondContact O-CG 3.21Å; E183-L187 PolarHBondContact O-N 3.5Å; N184-L187 PolarHBondContact O-N 2.85Å; L187-Q190 PolarHBondContact O-N 3.18Å; L187-D191 VanDerWaalsContact O-CB 3.23Å; L187-D191 WeakPolarHBondContact O-CB 3.48Å; L187-D191 PolarHBondContact O-N 2.8Å |
| 188 | I | 64.5 | Low | 57.6 | Low | 98 Ų | 98 | 93.7 Ų | 93.7 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 175.2 | -71.9 | 171.8 | 0 | 0 | 0 | 110.9 | N184 R185 A192 | N184-I188 WeakPolarHBondContact O-CB 3.39Å; N184-I188 WeakPolarHBondContact O-CG1 3.21Å; N184-I188 PolarHBondContact O-N 3.34Å; N184-I188 WeakPolarHBondContact OD1-CD1 3.37Å; R185-I188 PolarHBondContact O-N 2.94Å; I188-A192 WeakPolarHBondContact O-CB 3.04Å; I188-A192 PolarHBondContact O-N 3.13Å |
| 189 | V | 62.4 | Low | 57.2 | Low | 98 Ų | 98 | 95.4 Ų | 95.4 | 59% | 0.594 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69 | -38.6 | 178.1 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | R185 L186 S193 | R185-V189 WeakPolarHBondContact O-CB 3.09Å; R185-V189 WeakPolarHBondContact O-CG2 3.14Å; R185-V189 PolarHBondContact O-N 3.17Å; L186-V189 PolarHBondContact O-N 2.7Å; V189-S193 WeakPolarHBondContact O-CB 3.47Å; V189-S193 PolarHBondContact O-N 2.97Å |
| 190 | Q | 59.3 | Low | 56.3 | Low | 101 Ų | 101 | 99.4 Ų | 99.4 | 47% | 0.472 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.4 | -48.4 | 173.6 | -172.8 | -179 | -1.4 | 0 | 0 | 111.2 | L186 L187 A192 S193 E194 | L186-Q190 VanDerWaalsContact O-CB 3.28Å; L186-Q190 WeakPolarHBondContact O-CB 3.23Å; L186-Q190 PolarHBondContact O-N 2.77Å; L187-Q190 PolarHBondContact O-N 3.18Å; Q190-A192 VanDerWaalsContact C-N 3.32Å; Q190-A192 PolarHBondContact O-N 3.28Å; Q190-S193 CarbonylContact O-C 3.57Å; Q190-S193 WeakPolarHBondContact O-CB 3.45Å; Q190-S193 PolarHBondContact O-N 3.31Å; Q190-S193 VanDerWaalsContact O-N 3.14Å; Q190-E194 HydrophobicContact CG-CG 4.29Å; Q190-E194 PolarHBondContact NE2-OE1 2.71Å; Q190-E194 WeakPolarHBondContact O-CB 3.43Å; Q190-E194 VanDerWaalsContact O-CG 3.32Å; Q190-E194 WeakPolarHBondContact O-CG 3.21Å; Q190-E194 PolarHBondContact O-N 3.4Å |
| 191 | D | 58.8 | Low | 56 | Low | 78 Ų | 78 | 100.8 Ų | 100.8 | 42% | 0.417 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63 | -37.5 | 176.5 | -176.7 | 72.2 | 0 | 0 | 0 | 111.5 | L187 E194 R195 | L187-D191 VanDerWaalsContact O-CB 3.23Å; L187-D191 WeakPolarHBondContact O-CB 3.48Å; L187-D191 PolarHBondContact O-N 2.8Å; D191-E194 PolarHBondContact O-N 3.47Å; D191-R195 WeakPolarHBondContact O-CB 3.16Å; D191-R195 VanDerWaalsContact O-CG 3.27Å; D191-R195 WeakPolarHBondContact O-CG 3.48Å; D191-R195 PolarHBondContact O-N 2.78Å; D191-R195 IonicContact OD2-NE 2.83Å |
| 192 | A | 60 | Low | 55.5 | Low | 54 Ų | 54 | 98.8 Ų | 98.8 | 45% | 0.446 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.3 | -36.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I188 Q190 A196 | I188-A192 WeakPolarHBondContact O-CB 3.04Å; I188-A192 PolarHBondContact O-N 3.13Å; Q190-A192 VanDerWaalsContact C-N 3.32Å; Q190-A192 PolarHBondContact O-N 3.28Å; A192-A196 WeakPolarHBondContact O-CB 3.45Å; A192-A196 PolarHBondContact O-N 3.09Å |
| 193 | S | 57.4 | Low | 54.9 | Low | 76 Ų | 76 | 102.5 Ų | 102.5 | 53% | 0.531 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.5 | -40.9 | 173.4 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | V189 Q190 A196 A197 | V189-S193 WeakPolarHBondContact O-CB 3.47Å; V189-S193 PolarHBondContact O-N 2.97Å; Q190-S193 CarbonylContact O-C 3.57Å; Q190-S193 WeakPolarHBondContact O-CB 3.45Å; Q190-S193 PolarHBondContact O-N 3.31Å; Q190-S193 VanDerWaalsContact O-N 3.14Å; S193-A196 PolarHBondContact O-N 2.63Å; S193-A197 WeakPolarHBondContact O-CB 3.15Å; S193-A197 PolarHBondContact O-N 2.83Å |
| 194 | E | 53.6 | Low | 54.1 | Low | 94 Ų | 94 | 102.7 Ų | 102.7 | 44% | 0.439 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.7 | -42.9 | 176.6 | -73.8 | 179.4 | 179.9 | 0 | 0 | 110.4 | Q190 D191 A196 A197 L198 | Q190-E194 HydrophobicContact CG-CG 4.29Å; Q190-E194 PolarHBondContact NE2-OE1 2.71Å; Q190-E194 WeakPolarHBondContact O-CB 3.43Å; Q190-E194 VanDerWaalsContact O-CG 3.32Å; Q190-E194 WeakPolarHBondContact O-CG 3.21Å; Q190-E194 PolarHBondContact O-N 3.4Å; D191-E194 PolarHBondContact O-N 3.47Å; E194-A196 PolarHBondContact O-N 2.81Å; E194-A197 CarbonylContact O-C 3.51Å; E194-A197 PolarHBondContact O-N 2.79Å; E194-L198 WeakPolarHBondContact O-CB 3.33Å; E194-L198 WeakPolarHBondContact O-CG 3.29Å; E194-L198 PolarHBondContact O-N 3.05Å |
| 195 | R | 53.7 | Low | 53.3 | Low | 171 Ų | 171 | 104.8 Ų | 104.8 | 65% | 0.645 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.3 | -38.9 | 170.6 | -78.5 | -179.2 | 166.9 | -159.2 | -5 | 112.2 | D191 L198 I199 | D191-R195 WeakPolarHBondContact O-CB 3.16Å; D191-R195 VanDerWaalsContact O-CG 3.27Å; D191-R195 WeakPolarHBondContact O-CG 3.48Å; D191-R195 PolarHBondContact O-N 2.78Å; D191-R195 IonicContact OD2-NE 2.83Å; R195-L198 PolarHBondContact O-N 2.97Å; R195-I199 WeakPolarHBondContact O-CG1 3.48Å; R195-I199 PolarHBondContact O-N 2.85Å |
| 196 | A | 50.7 | Low | 52.9 | Low | 69 Ų | 69 | 100.7 Ų | 100.7 | 57% | 0.57 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.7 | -33.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A192 S193 E194 | A192-A196 WeakPolarHBondContact O-CB 3.45Å; A192-A196 PolarHBondContact O-N 3.09Å; S193-A196 PolarHBondContact O-N 2.63Å; E194-A196 PolarHBondContact O-N 2.81Å |
| 197 | A | 51.8 | Low | 52.5 | Low | 83 Ų | 83 | 103.7 Ų | 103.7 | 69% | 0.686 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -78.3 | -24.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | S193 E194 I199 | S193-A197 WeakPolarHBondContact O-CB 3.15Å; S193-A197 PolarHBondContact O-N 2.83Å; E194-A197 CarbonylContact O-C 3.51Å; E194-A197 PolarHBondContact O-N 2.79Å; A197-I199 VanDerWaalsContact C-N 3.32Å |
| 198 | L | 47 | Very low | 51.8 | Low | 138 Ų | 138 | 108.2 Ų | 108.2 | 72% | 0.723 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 10.4 | 174.4 | -69.2 | 172.6 | 0 | 0 | 0 | 113.3 | E194 R195 P200 | E194-L198 WeakPolarHBondContact O-CB 3.33Å; E194-L198 WeakPolarHBondContact O-CG 3.29Å; E194-L198 PolarHBondContact O-N 3.05Å; R195-L198 PolarHBondContact O-N 2.97Å; L198-P200 WeakPolarHBondContact O-CD 3.18Å |
| 199 | I | 46.5 | Very low | 51.4 | Low | 123 Ų | 123 | 112.8 Ų | 112.8 | 63% | 0.631 | 66% | 0.658 | S | S | * | * | trans | -87.8 | 99 | 156.5 | -55.6 | -169.1 | 0 | 0 | 0 | 106.4 | R195 A197 G201 | R195-I199 WeakPolarHBondContact O-CG1 3.48Å; R195-I199 PolarHBondContact O-N 2.85Å; A197-I199 VanDerWaalsContact C-N 3.32Å; I199-G201 PolarHBondContact O-N 2.84Å | ||
| 200 | P | 41.6 | Very low | 51.2 | Low | 108 Ų | 108 | 112.5 Ų | 112.5 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | trans | -53 | 127.5 | 154.8 | -4.4 | 12.3 | 0 | 0 | 0 | 106.1 | L198 G202 | L198-P200 WeakPolarHBondContact O-CD 3.18Å; P200-G202 PolarHBondContact O-N 3.16Å | ||
| 201 | G | 52 | Low | 50.6 | Low | 91 Ų | 91 | 112.9 Ų | 112.9 | 94% | 0.938 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -57 | 84 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | I199 | I199-G201 PolarHBondContact O-N 2.84Š|
| 202 | G | 45.4 | Very low | 49.9 | Very low | 58 Ų | 58 | 114.3 Ų | 114.3 | 60% | 0.598 | 69% | 0.685 | S | S | * | * | trans | -136.2 | 86.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | P200 S204 | P200-G202 PolarHBondContact O-N 3.16Å; G202-S204 PolarHBondContact O-N 2.95Å | ||
| 203 | L | 47 | Very low | 49.1 | Very low | 160 Ų | 160 | 120.4 Ų | 120.4 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | trans | 40.7 | 75.3 | 151.5 | -60.8 | 167.7 | 0 | 0 | 0 | 115.3 | D205 | L203-D205 PolarHBondContact O-N 3.01Š| ||
| 204 | S | 42 | Very low | 48.4 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 84% | 0.839 | 72% | 0.719 | S | S | * | * | trans | -87.4 | 93.9 | 145.8 | -167.2 | 0 | 0 | 0 | 0 | 105.8 | G202 G206 | G202-S204 PolarHBondContact O-N 2.95Å; S204-G206 PolarHBondContact O-N 2.72Å | ||
| 205 | D | 44.9 | Very low | 48.1 | Very low | 133 Ų | 133 | 126.7 Ų | 126.7 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | -56.1 | 94 | 165 | -91.8 | -27.4 | 0 | 0 | 0 | 107 | L203 Q207 | L203-D205 PolarHBondContact O-N 3.01Å; D205-Q207 PolarHBondContact O-N 2.79Å | ||
| 206 | G | 51.9 | Low | 47.6 | Very low | 66 Ų | 66 | 123 Ų | 123 | 68% | 0.68 | 75% | 0.745 | S | S | * | * | trans | -67.3 | 74.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | S204 F208 | S204-G206 PolarHBondContact O-N 2.72Å; G206-F208 PolarHBondContact O-N 3.37Å | ||
| 207 | Q | 52.7 | Low | 47.2 | Very low | 163 Ų | 163 | 123.3 Ų | 123.3 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | -73.8 | 65.8 | 165.1 | -154.1 | 79.7 | -11.1 | 0 | 0 | 107.8 | D205 Y209 | D205-Q207 PolarHBondContact O-N 2.79Å; Q207-Y209 PolarHBondContact O-N 3.17Å; Q207-Y209 VanDerWaalsContact O-N 3.16Å | ||
| 208 | F | 44.9 | Very low | 46.6 | Very low | 191 Ų | 191 | 125.3 Ų | 125.3 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -75.9 | 98.5 | 167.5 | -140.3 | -92 | 0 | 0 | 0 | 106.1 | G206 S210 | G206-F208 PolarHBondContact O-N 3.37Å; F208-S210 PolarHBondContact O-N 3.16Å | ||
| 209 | Y | 55.6 | Low | 46.7 | Very low | 193 Ų | 193 | 127.3 Ų | 127.3 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | trans | -71.8 | 96 | 176.2 | -147.3 | -86.2 | 0 | 0 | 0 | 107.7 | Q207 P211 | Q207-Y209 PolarHBondContact O-N 3.17Å; Q207-Y209 VanDerWaalsContact O-N 3.16Å; Y209-P211 WeakPolarHBondContact O-CD 3.38Å | ||
| 210 | S | 57.8 | Low | 46.4 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 121.6 | 164.8 | -66 | 0 | 0 | 0 | 0 | 107.7 | F208 | F208-S210 PolarHBondContact O-N 3.16Š|
| 211 | P | 47.4 | Very low | 46.6 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 136.6 | 171 | -18.4 | 30.9 | 0 | 0 | 0 | 109 | Y209 E213 | Y209-P211 WeakPolarHBondContact O-CD 3.38Å; P211-E213 PolarHBondContact O-N 3.5Å |
| 212 | P | 43.9 | Very low | 46.2 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 132.6 | 174.8 | 23.7 | -31.1 | 0 | 0 | 0 | 109.8 | S214 | P212-S214 PolarHBondContact O-N 3.43Š|
| 213 | E | 43.3 | Very low | 46.1 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 120.6 | 166.7 | -83.1 | 179.8 | 99.6 | 0 | 0 | 109.4 | P211 E215 | P211-E213 PolarHBondContact O-N 3.5Å; E213-E215 PolarHBondContact O-N 3.46Å |
| 214 | S | 43.3 | Very low | 45.9 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -92.2 | 93 | 165.8 | -66.5 | 0 | 0 | 0 | 0 | 107.9 | P212 | P212-S214 PolarHBondContact O-N 3.43Š| ||
| 215 | E | 47.5 | Very low | 45.8 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -81.4 | 106 | 156.5 | -65.2 | -143.2 | 127.2 | 0 | 0 | 108.6 | E213 | E213-E215 PolarHBondContact O-N 3.46Š| ||
| 216 | A | 43.3 | Very low | 45.5 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -156.3 | 103.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 217 | G | 41.6 | Very low | 44.9 | Very low | 74 Ų | 74 | 145.8 Ų | 145.8 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | -64.1 | 155.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 218 | S | 39.5 | Very low | 44.4 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | trans | -146 | 123.3 | 143.4 | -73.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 219 | E | 47.8 | Very low | 44.3 | Very low | 180 Ų | 180 | 147.2 Ų | 147.2 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | -58 | 142 | 173.9 | -57.4 | 157.2 | 166.4 | 0 | 0 | 109.1 | ||||
| 220 | E | 42.1 | Very low | 44 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | 167 | 143.1 | 118.2 | -86.3 | -179.1 | 177.7 | 0 | 0 | 111.9 | |||||
| 221 | A | 44.1 | Very low | 43.3 | Very low | 91 Ų | 91 | 147.3 Ų | 147.3 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -44.8 | 149.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 222 | E | 43.8 | Very low | 43.3 | Very low | 201 Ų | 201 | 149 Ų | 149 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | -164.5 | 141.9 | 104.4 | -104.5 | -179.5 | 161.6 | 0 | 0 | 112.9 | |||||
| 223 | E | 44.7 | Very low | 43.1 | Very low | 178 Ų | 178 | 152.3 Ų | 152.3 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -86 | 163.8 | -171.5 | -166.7 | 179.2 | -163.7 | 0 | 0 | 111.1 | ||||
| 224 | K | 42 | Very low | 43.2 | Very low | 185 Ų | 185 | 155.5 Ų | 155.5 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | 95.8 | 132.3 | 170.9 | -70.4 | -175.9 | 176.6 | -175.8 | 0 | 116.2 | ||||
| 225 | Q | 39 | Very low | 43.2 | Very low | 177 Ų | 177 | 157.3 Ų | 157.3 | 83% | 0.827 | 84% | 0.838 | S | S | * | * | cis | -166.1 | 142.7 | 13.2 | 166.6 | 167.7 | -0.6 | 0 | 0 | 109.5 | ||||
| 226 | D | 38.6 | Very low | 43 | Very low | 140 Ų | 140 | 156 Ų | 156 | 75% | 0.749 | 84% | 0.838 | S | S | * | * | trans | -84.6 | 155.9 | 178.1 | 179.9 | 43.3 | 0 | 0 | 0 | 112.6 | ||||
| 227 | S | 40 | Very low | 43 | Very low | 87 Ų | 87 | 159.4 Ų | 159.4 | 61% | 0.608 | 84% | 0.841 | S | S | * | * | trans | 66 | 114.1 | 156.1 | -76 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 228 | E | 41.5 | Very low | 43.1 | Very low | 193 Ų | 193 | 164.4 Ų | 164.4 | 90% | 0.902 | 85% | 0.846 | S | S | * | * | -176.2 | 132.9 | 93.5 | -94.7 | -176.1 | 98.7 | 0 | 0 | 112.4 | |||||
| 229 | K | 44.3 | Very low | 43.3 | Very low | 192 Ų | 192 | 166.8 Ų | 166.8 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | trans | -81.3 | -177 | 159.5 | -89.4 | -177.2 | 177.3 | -177.1 | 0 | 109 | ||||
| 230 | P | 48.1 | Very low | 43 | Very low | 111 Ų | 111 | 165.9 Ų | 165.9 | 72% | 0.721 | 84% | 0.844 | S | S | * | * | cis | -126.3 | 176.6 | -38.8 | 33.3 | -15.8 | 0 | 0 | 0 | 110.6 | ||||
| 231 | L | 43.6 | Very low | 43 | Very low | 175 Ų | 175 | 164.4 Ų | 164.4 | 92% | 0.916 | 84% | 0.841 | S | S | * | * | trans | -139.4 | 127.4 | 158.2 | -147.1 | 148 | 0 | 0 | 0 | 111.7 | ||||
| 232 | L | 47.8 | Very low | 43 | Very low | 145 Ų | 145 | 170.1 Ų | 170.1 | 76% | 0.759 | 85% | 0.848 | S | S | * | * | trans | -77.6 | 163.9 | -173.5 | -72.4 | 165.2 | 0 | 0 | 0 | 113.1 | ||||
| 233 | E | 40 | Very low | 42.9 | Very low | 179 Ų | 179 | 167.5 Ų | 167.5 | 84% | 0.836 | 84% | 0.841 | S | S | * | * | trans | -33.3 | 137.8 | 162.2 | -61.2 | 177.4 | 128.9 | 0 | 0 | 115.6 | ||||
| 234 | L | 45.2 | Very low | 42.7 | Very low | 248 Ų | 248 | 166.5 Ų | 166.5 | 100% | 1.298 | 84% | 0.841 | S | S | * | * | -159.4 | 0 | 129.8 | -109.9 | 156.6 | 0 | 0 | 0 | 110 |
Retrieved 234 of 234 residues in 38.8 ms
(Link to these results)