| 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 | 48.8 | Very low | 46.2 | Very low | 233 Ų | 233 | 156.7 Ų | 156.7 | 100% | 1.148 | 82% | 0.815 | S | S | * | * | 0 | 110 | 0 | -82.4 | 172.2 | 170.4 | 0 | 0 | 106.6 | |||||
| 2 | E | 43.9 | Very low | 46.2 | Very low | 177 Ų | 177 | 151.3 Ų | 151.3 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -63.7 | 131.4 | -169.7 | -65.1 | -84.5 | 129 | 0 | 0 | 112.3 | ||||
| 3 | H | 50.4 | Low | 45.9 | Very low | 184 Ų | 184 | 153.2 Ų | 153.2 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | -127.3 | 83.8 | 163.1 | -70.5 | -69.2 | 0 | 0 | 0 | 109 | ||||
| 4 | S | 45.1 | Very low | 45.8 | Very low | 92 Ų | 92 | 147.6 Ų | 147.6 | 64% | 0.643 | 81% | 0.809 | S | S | * | * | trans | -93.6 | 100.2 | 168 | 168.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 5 | S | 49 | Very low | 45.8 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -100.3 | 86.5 | 165.8 | -77.1 | 0 | 0 | 0 | 0 | 109.4 | D7 | S5-D7 PolarHBondContact O-N 3.15Š| ||
| 6 | T | 55.3 | Low | 45.5 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -86.2 | 93 | 161.7 | 45.3 | 0 | 0 | 0 | 0 | 108.4 | R8 | T6-R8 PolarHBondContact O-N 3.42Š| ||
| 7 | D | 45.7 | Very low | 45.5 | Very low | 163 Ų | 163 | 145 Ų | 145 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -75.9 | 110.2 | 170.4 | -152.5 | -1.3 | 0 | 0 | 0 | 108.5 | S5 F9 | S5-D7 PolarHBondContact O-N 3.15Å; D7-F9 PolarHBondContact O-N 3.34Å; D7-F9 VanDerWaalsContact O-N 3.15Å | ||
| 8 | R | 41.6 | Very low | 45.8 | Very low | 219 Ų | 219 | 146.4 Ų | 146.4 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -70.3 | 105.9 | 179.9 | -81 | -175.5 | -170.4 | 172.6 | 3.5 | 109 | T6 T10 | T6-R8 PolarHBondContact O-N 3.42Å; R8-T10 PolarHBondContact O-N 3.08Å | ||
| 9 | F | 36.8 | Very low | 45.5 | Very low | 186 Ų | 186 | 143 Ų | 143 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | -69.5 | 97.7 | 164.8 | -167.3 | -107.1 | 0 | 0 | 0 | 109.4 | D7 V11 | D7-F9 PolarHBondContact O-N 3.34Å; D7-F9 VanDerWaalsContact O-N 3.15Å; F9-V11 HydrophobicContact CD1-CG2 3.58Å; F9-V11 HydrophobicContact CE1-CG2 3.6Å; F9-V11 PolarHBondContact O-N 3.24Å | ||
| 10 | T | 44.3 | Very low | 45.4 | Very low | 119 Ų | 119 | 139 Ų | 139 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | -76.4 | 102.3 | 169.3 | 46.2 | 0 | 0 | 0 | 0 | 108.7 | R8 A12 | R8-T10 PolarHBondContact O-N 3.08Å; T10-A12 VanDerWaalsContact C-N 3.28Å; T10-A12 PolarHBondContact O-N 3.02Å | ||
| 11 | V | 47.8 | Very low | 45.3 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 65% | 0.648 | 77% | 0.771 | S | S | * | * | trans | -69.1 | 92.5 | 165.5 | -178.9 | 0 | 0 | 0 | 0 | 106.7 | F9 E13 | F9-V11 HydrophobicContact CD1-CG2 3.58Å; F9-V11 HydrophobicContact CE1-CG2 3.6Å; F9-V11 PolarHBondContact O-N 3.24Å; V11-E13 PolarHBondContact O-N 2.94Å | ||
| 12 | A | 45.7 | Very low | 45.4 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | trans | -62.8 | 106.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | T10 G14 | T10-A12 VanDerWaalsContact C-N 3.28Å; T10-A12 PolarHBondContact O-N 3.02Å; A12-G14 PolarHBondContact O-N 3.02Å | ||
| 13 | E | 43 | Very low | 45.8 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | -59 | 99.9 | 171.1 | -65.4 | -153.6 | 158.5 | 0 | 0 | 109 | V11 H15 | V11-E13 PolarHBondContact O-N 2.94Å; E13-H15 PolarHBondContact O-N 3.29Å | ||
| 14 | G | 43.7 | Very low | 45.8 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | -71 | 80.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | A12 F16 | A12-G14 PolarHBondContact O-N 3.02Å; G14-F16 PolarHBondContact O-N 3.09Å | ||
| 15 | H | 45.6 | Very low | 46.3 | Very low | 158 Ų | 158 | 140 Ų | 140 | 73% | 0.731 | 75% | 0.746 | S | S | * | * | trans | -57.9 | 97.7 | 170.6 | -170.3 | -139.5 | 0 | 0 | 0 | 108.3 | E13 T17 | E13-H15 PolarHBondContact O-N 3.29Å; H15-T17 VanDerWaalsContact C-N 3.31Å; H15-T17 PolarHBondContact O-N 3.16Å | ||
| 16 | F | 41.7 | Very low | 46.4 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 67% | 0.667 | 74% | 0.742 | S | S | * | * | trans | -73.1 | 88.3 | 177.3 | -177.2 | -98.1 | 0 | 0 | 0 | 108.6 | G14 F18 A68 | G14-F16 PolarHBondContact O-N 3.09Å; F16-F18 HydrophobicContact CE1-CB 4.19Å; F16-F18 HydrophobicContact CE1-CD2 4.35Å; F16-F18 PolarHBondContact O-N 3.27Å; F16-A68 HydrophobicContact CE2-CB 3.92Å | ||
| 17 | T | 45 | Very low | 45.9 | Very low | 88 Ų | 88 | 140.1 Ų | 140.1 | 54% | 0.54 | 73% | 0.728 | S | S | . | * | trans | -76.8 | 106.2 | 169.9 | 56.5 | 0 | 0 | 0 | 0 | 108.4 | H15 A19 | H15-T17 VanDerWaalsContact C-N 3.31Å; H15-T17 PolarHBondContact O-N 3.16Å; T17-A19 PolarHBondContact O-N 3.24Å | ||
| 18 | F | 51.1 | Low | 46.1 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 75% | 0.746 | 71% | 0.706 | S | S | * | * | trans | -63.5 | 3.8 | 164.4 | -174.9 | -102.4 | 0 | 0 | 0 | 112.5 | F16 G20 | F16-F18 HydrophobicContact CE1-CB 4.19Å; F16-F18 HydrophobicContact CE1-CD2 4.35Å; F16-F18 PolarHBondContact O-N 3.27Å; F18-G20 PolarHBondContact O-N 2.85Å | ||
| 19 | A | 40.9 | Very low | 46.4 | Very low | 82 Ų | 82 | 130 Ų | 130 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | trans | -74.8 | 50.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T17 Q21 | T17-A19 PolarHBondContact O-N 3.24Å; A19-Q21 PolarHBondContact O-N 3.5Å | ||
| 20 | G | 43 | Very low | 46.8 | Very low | 63 Ų | 63 | 128.7 Ų | 128.7 | 65% | 0.649 | 70% | 0.695 | S | S | * | * | trans | -77.8 | 93.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 108 | F18 F22 | F18-G20 PolarHBondContact O-N 2.85Å; G20-F22 PolarHBondContact O-N 3.02Å | ||
| 21 | Q | 42.1 | Very low | 46.5 | Very low | 184 Ų | 184 | 128.1 Ų | 128.1 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | trans | -62.1 | 79.8 | 168.5 | -67.3 | -176.3 | 18.9 | 0 | 0 | 109.5 | A19 K23 | A19-Q21 PolarHBondContact O-N 3.5Å; Q21-K23 PolarHBondContact O-N 3.23Å; Q21-K23 VanDerWaalsContact O-N 3.14Å | ||
| 22 | F | 51.5 | Low | 46.4 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | trans | -78.5 | 103.2 | 169.7 | -133.7 | -90.7 | 0 | 0 | 0 | 106.8 | G20 E24 | G20-F22 PolarHBondContact O-N 3.02Å; F22-E24 VanDerWaalsContact C-N 3.32Å; F22-E24 PolarHBondContact O-N 2.89Å | ||
| 23 | K | 51.7 | Low | 46.1 | Very low | 181 Ų | 181 | 133 Ų | 133 | 79% | 0.787 | 71% | 0.709 | S | S | * | * | trans | -52.7 | 104.7 | 163.6 | -71.6 | -172.9 | 177 | -176.5 | 0 | 106.3 | Q21 K25 | Q21-K23 PolarHBondContact O-N 3.23Å; Q21-K23 VanDerWaalsContact O-N 3.14Å; K23-K25 PolarHBondContact O-N 2.89Å | ||
| 24 | E | 52.1 | Low | 46.1 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | trans | -61.7 | 96.6 | 169.7 | -80 | -169.3 | 154.2 | 0 | 0 | 106.5 | F22 K26 | F22-E24 VanDerWaalsContact C-N 3.32Å; F22-E24 PolarHBondContact O-N 2.89Å; E24-K26 PolarHBondContact O-N 3.25Å | ||
| 25 | K | 55 | Low | 46 | Very low | 181 Ų | 181 | 136 Ų | 136 | 79% | 0.787 | 71% | 0.713 | S | S | * | * | trans | -60.8 | 103.4 | 157.2 | -67.8 | -172.4 | -179.5 | 179 | 0 | 104.2 | K23 C27 | K23-K25 PolarHBondContact O-N 2.89Å; K25-C27 PolarHBondContact O-N 3.04Å | ||
| 26 | K | 50.6 | Low | 46.5 | Very low | 180 Ų | 180 | 137.3 Ų | 137.3 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | trans | -44 | 145 | 161.1 | -78.5 | 179.2 | 177.5 | 174.9 | 0 | 106.2 | E24 S28 | E24-K26 PolarHBondContact O-N 3.25Å; K26-S28 PolarHBondContact O-N 3.01Å | ||
| 27 | C | 44.2 | Very low | 46.9 | Very low | 66 Ų | 66 | 136.4 Ų | 136.4 | 45% | 0.446 | 72% | 0.724 | S | S | . | * | trans | -65.8 | 75.1 | 165.6 | -155.3 | 0 | 0 | 0 | 0 | 105.4 | K25 T29 C50 | K25-C27 PolarHBondContact O-N 3.04Å; C27-T29 PolarHBondContact O-N 3.33Å; C27-C50 HydrophobicContact CB-CB 3.96Å; C27-C50 WeakPolarHBondContact CB-SG 3.47Å; C27-C50 VanDerWaalsContact SG-CA 3.55Å; C27-C50 WeakPolarHBondContact SG-CB 3.39Å; C27-C50 CovalentContact SG-SG 2.05Å; C27-C50 PolarHBondContact SG-SG 3.09Å | ||
| 28 | S | 50 | Low | 47.5 | Very low | 60 Ų | 60 | 138.5 Ų | 138.5 | 42% | 0.42 | 73% | 0.728 | S | S | . | * | trans | -84.4 | 111.3 | -176.6 | -166 | 0 | 0 | 0 | 0 | 104 | K26 H30 | K26-S28 PolarHBondContact O-N 3.01Å; S28-H30 WeakPolarHBondContact CB-CD2 3.44Å; S28-H30 PolarHBondContact O-N 2.89Å; S28-H30 PolarHBondContact OG-CD2 3.39Å; S28-H30 PolarHBondContact OG-NE2 3.12Å | ||
| 29 | T | 48.5 | Very low | 47.9 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | trans | -60.7 | 66.3 | 157 | 48.9 | 0 | 0 | 0 | 0 | 108.2 | C27 S31 I46 | C27-T29 PolarHBondContact O-N 3.33Å; T29-S31 PolarHBondContact O-N 3.38Å; T29-I46 HydrophobicContact CG2-CG2 4.22Å | ||
| 30 | H | 44.5 | Very low | 49.1 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 73% | 0.731 | 72% | 0.717 | S | S | * | * | trans | -76.3 | 82.4 | 164.4 | -81.2 | -57.9 | 0 | 0 | 0 | 106.8 | S28 A32 | S28-H30 WeakPolarHBondContact CB-CD2 3.44Å; S28-H30 PolarHBondContact O-N 2.89Å; S28-H30 PolarHBondContact OG-CD2 3.39Å; S28-H30 PolarHBondContact OG-NE2 3.12Å; H30-A32 PolarHBondContact O-N 3.15Å | ||
| 31 | S | 39.7 | Very low | 50.1 | Low | 107 Ų | 107 | 135.4 Ų | 135.4 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | 29.4 | 72.3 | 122.1 | -152.3 | 0 | 0 | 0 | 0 | 113.9 | T29 K33 | T29-S31 PolarHBondContact O-N 3.38Å; S31-K33 PolarHBondContact O-N 3.33Å | |||
| 32 | A | 45.3 | Very low | 51.4 | Low | 96 Ų | 96 | 130 Ų | 130 | 79% | 0.793 | 68% | 0.684 | S | S | * | * | trans | -84.5 | 97.8 | 153.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | H30 K34 | H30-A32 PolarHBondContact O-N 3.15Å; A32-K34 PolarHBondContact O-N 3.06Å | ||
| 33 | K | 38.4 | Very low | 52.3 | Low | 205 Ų | 205 | 128.5 Ų | 128.5 | 89% | 0.891 | 68% | 0.678 | S | S | * | * | trans | -25.6 | 100.2 | 167.5 | -66.7 | 168.8 | 175.4 | 175.5 | 0 | 113 | S31 | S31-K33 PolarHBondContact O-N 3.33Š| ||
| 34 | K | 42.9 | Very low | 53.3 | Low | 192 Ų | 192 | 124 Ų | 124 | 84% | 0.835 | 66% | 0.662 | S | S | * | * | trans | -162 | 116.7 | 148.8 | -153.8 | 161.4 | -176 | 171.1 | 0 | 110 | A32 K36 | A32-K34 PolarHBondContact O-N 3.06Å; K34-K36 PolarHBondContact O-N 3.08Å; K34-K36 VanDerWaalsContact O-N 3.15Å | ||
| 35 | S | 42.2 | Very low | 54.7 | Low | 122 Ų | 122 | 121.1 Ų | 121.1 | 85% | 0.853 | 66% | 0.655 | S | S | * | * | trans | -49.9 | 107.5 | 171.8 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 36 | K | 56 | Low | 55.9 | Low | 186 Ų | 186 | 115.7 Ų | 115.7 | 81% | 0.809 | 63% | 0.633 | S | S | * | * | trans | -155.5 | 127.5 | 160.1 | -157.2 | 164.9 | -178.2 | 175.3 | 0 | 108.4 | K34 E38 | K34-K36 PolarHBondContact O-N 3.08Å; K34-K36 VanDerWaalsContact O-N 3.15Å; K36-E38 PolarHBondContact O-N 2.9Å | ||
| 37 | T | 50.3 | Low | 57.3 | Low | 132 Ų | 132 | 108.9 Ų | 108.9 | 81% | 0.81 | 61% | 0.611 | S | S | * | * | trans | -49.8 | 107.3 | 176.8 | 32.8 | 0 | 0 | 0 | 0 | 111 | T39 | T37-T39 PolarHBondContact O-N 3.37Š| ||
| 38 | E | 56.9 | Low | 58.9 | Low | 132 Ų | 132 | 109.7 Ų | 109.7 | 62% | 0.617 | 61% | 0.613 | S | S | * | * | trans | -65.1 | 116.2 | 176.9 | -70.8 | -178.9 | 167.4 | 0 | 0 | 110 | K36 | K36-E38 PolarHBondContact O-N 2.9Š| ||
| 39 | T | 61.3 | Low | 60.5 | Low | 84 Ų | 84 | 109.5 Ų | 109.5 | 52% | 0.515 | 62% | 0.616 | S | S | . | * | trans | -79.3 | 153.4 | 176.9 | -43.8 | 0 | 0 | 0 | 0 | 108.5 | T37 A41 D42 | T37-T39 PolarHBondContact O-N 3.37Å; T39-A41 PolarHBondContact O-N 2.69Å; T39-D42 PolarHBondContact N-OD2 3.07Å; T39-D42 WeakPolarHBondContact O-CB 3.46Å; T39-D42 PolarHBondContact O-N 2.93Å | ||
| 40 | T | 65.1 | Low | 62.1 | Low | 112 Ų | 112 | 105.7 Ų | 105.7 | 69% | 0.687 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -53.2 | -28.9 | 177.1 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | K43 L44 | T40-K43 PolarHBondContact O-N 3.43Å; T40-L44 PolarHBondContact O-N 3.46Å |
| 41 | A | 63.3 | Low | 63.7 | Low | 54 Ų | 54 | 104.5 Ų | 104.5 | 45% | 0.446 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.6 | -40.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T39 K43 L44 T45 | T39-A41 PolarHBondContact O-N 2.69Å; A41-K43 VanDerWaalsContact C-N 3.32Å; A41-K43 PolarHBondContact O-N 3.37Å; A41-L44 PolarHBondContact O-N 2.95Å; A41-T45 WeakPolarHBondContact O-CG2 3.47Å; A41-T45 PolarHBondContact O-N 3.23Å; A41-T45 VanDerWaalsContact O-N 3.14Å |
| 42 | D | 70.4 | Confident | 66.2 | Low | 70 Ų | 70 | 103.4 Ų | 103.4 | 37% | 0.374 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.5 | -34.2 | -178.8 | -58.5 | -38.3 | 0 | 0 | 0 | 111.4 | T39 L44 T45 I46 | T39-D42 PolarHBondContact N-OD2 3.07Å; T39-D42 WeakPolarHBondContact O-CB 3.46Å; T39-D42 PolarHBondContact O-N 2.93Å; D42-L44 VanDerWaalsContact C-N 3.34Å; D42-L44 PolarHBondContact O-N 3.27Å; D42-T45 WeakPolarHBondContact CA-OG1 3.5Å; D42-T45 PolarHBondContact O-N 3.26Å; D42-T45 PolarHBondContact O-OG1 2.88Å; D42-I46 WeakPolarHBondContact O-CB 3.46Å; D42-I46 WeakPolarHBondContact O-CD1 3.33Å; D42-I46 WeakPolarHBondContact O-CG1 3.34Å; D42-I46 PolarHBondContact O-N 2.97Å |
| 43 | K | 70.4 | Confident | 68 | Low | 123 Ų | 123 | 100.5 Ų | 100.5 | 54% | 0.535 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 176.2 | -63.3 | -177.8 | -179.1 | -179.3 | 0 | 111.8 | T40 A41 A47 | T40-K43 PolarHBondContact O-N 3.43Å; A41-K43 VanDerWaalsContact C-N 3.32Å; A41-K43 PolarHBondContact O-N 3.37Å; K43-A47 WeakPolarHBondContact O-CB 3.38Å; K43-A47 PolarHBondContact O-N 3.33Å |
| 44 | L | 72.7 | Confident | 70.5 | Confident | 85 Ų | 85 | 97.1 Ų | 97.1 | 45% | 0.445 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 176.7 | -66.5 | 175.9 | 0 | 0 | 0 | 111.4 | T40 A41 D42 A47 V48 L151 | T40-L44 PolarHBondContact O-N 3.46Å; A41-L44 PolarHBondContact O-N 2.95Å; D42-L44 VanDerWaalsContact C-N 3.34Å; D42-L44 PolarHBondContact O-N 3.27Å; L44-A47 PolarHBondContact O-N 2.84Å; L44-V48 VanDerWaalsContact O-CG2 3.31Å; L44-V48 WeakPolarHBondContact O-CG2 3.27Å; L44-V48 PolarHBondContact O-N 3.47Å; L44-L151 HydrophobicContact CD1-CD2 4.29Å; L44-L151 HydrophobicContact CD2-CD1 3.77Å |
| 45 | T | 81 | Confident | 72.8 | Confident | 89 Ų | 89 | 91.9 Ų | 91.9 | 55% | 0.546 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 177.7 | 62 | 0 | 0 | 0 | 0 | 111.6 | A41 D42 V48 A49 | A41-T45 WeakPolarHBondContact O-CG2 3.47Å; A41-T45 PolarHBondContact O-N 3.23Å; A41-T45 VanDerWaalsContact O-N 3.14Å; D42-T45 WeakPolarHBondContact CA-OG1 3.5Å; D42-T45 PolarHBondContact O-N 3.26Å; D42-T45 PolarHBondContact O-OG1 2.88Å; T45-V48 PolarHBondContact O-N 3.44Å; T45-A49 WeakPolarHBondContact O-CB 3.47Å; T45-A49 PolarHBondContact O-N 2.95Å |
| 46 | I | 79.8 | Confident | 75.1 | Confident | 67 Ų | 67 | 95.4 Ų | 95.4 | 34% | 0.344 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 174.1 | -66.2 | 163.7 | 0 | 0 | 0 | 111 | T29 D42 V48 A49 C50 | T29-I46 HydrophobicContact CG2-CG2 4.22Å; D42-I46 WeakPolarHBondContact O-CB 3.46Å; D42-I46 WeakPolarHBondContact O-CD1 3.33Å; D42-I46 WeakPolarHBondContact O-CG1 3.34Å; D42-I46 PolarHBondContact O-N 2.97Å; I46-V48 PolarHBondContact O-N 3.24Å; I46-A49 WeakPolarHBondContact O-CB 3.3Å; I46-A49 PolarHBondContact O-N 3.25Å; I46-C50 PolarHBondContact O-N 2.75Å |
| 47 | A | 80.9 | Confident | 76.7 | Confident | 37 Ų | 37 | 91 Ų | 91 | 31% | 0.306 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K43 L44 C50 R51 | K43-A47 WeakPolarHBondContact O-CB 3.38Å; K43-A47 PolarHBondContact O-N 3.33Å; L44-A47 PolarHBondContact O-N 2.84Å; A47-C50 PolarHBondContact O-N 2.99Å; A47-R51 WeakPolarHBondContact O-CB 3.45Å; A47-R51 PolarHBondContact O-N 2.68Å |
| 48 | V | 77.7 | Confident | 78.9 | Confident | 82 Ų | 82 | 91.1 Ų | 91.1 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 173.8 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | L44 T45 I46 C50 R51 N52 | L44-V48 VanDerWaalsContact O-CG2 3.31Å; L44-V48 WeakPolarHBondContact O-CG2 3.27Å; L44-V48 PolarHBondContact O-N 3.47Å; T45-V48 PolarHBondContact O-N 3.44Å; I46-V48 PolarHBondContact O-N 3.24Å; V48-C50 PolarHBondContact O-N 3.4Å; V48-R51 WeakPolarHBondContact O-CB 3.41Å; V48-R51 PolarHBondContact O-N 3.26Å; V48-N52 PolarHBondContact O-N 3.33Å |
| 49 | A | 82.8 | Confident | 80.7 | Confident | 57 Ų | 57 | 87.2 Ų | 87.2 | 47% | 0.471 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T45 I46 R51 N52 A53 | T45-A49 WeakPolarHBondContact O-CB 3.47Å; T45-A49 PolarHBondContact O-N 2.95Å; I46-A49 WeakPolarHBondContact O-CB 3.3Å; I46-A49 PolarHBondContact O-N 3.25Å; A49-R51 VanDerWaalsContact C-N 3.34Å; A49-R51 PolarHBondContact O-N 2.9Å; A49-N52 PolarHBondContact O-N 3.46Å; A49-A53 WeakPolarHBondContact O-CB 3.39Å; A49-A53 PolarHBondContact O-N 2.87Å |
| 50 | C | 82.2 | Confident | 82.1 | Confident | 30 Ų | 30 | 88 Ų | 88 | 20% | 0.203 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 174.7 | -77.1 | 0 | 0 | 0 | 0 | 112.3 | C27 I46 A47 V48 A53 R54 | C27-C50 HydrophobicContact CB-CB 3.96Å; C27-C50 WeakPolarHBondContact CB-SG 3.47Å; C27-C50 VanDerWaalsContact SG-CA 3.55Å; C27-C50 WeakPolarHBondContact SG-CB 3.39Å; C27-C50 CovalentContact SG-SG 2.05Å; C27-C50 PolarHBondContact SG-SG 3.09Å; I46-C50 PolarHBondContact O-N 2.75Å; A47-C50 PolarHBondContact O-N 2.99Å; V48-C50 PolarHBondContact O-N 3.4Å; C50-A53 PolarHBondContact O-N 3.35Å; C50-R54 PolarHBondContact O-N 3.46Å |
| 51 | R | 79.5 | Confident | 83.4 | Confident | 132 Ų | 132 | 88.4 Ų | 88.4 | 50% | 0.498 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 174.1 | 177.2 | 176.4 | 177.9 | 156.1 | 0.4 | 111.3 | A47 V48 A49 A53 R54 E55 | A47-R51 WeakPolarHBondContact O-CB 3.45Å; A47-R51 PolarHBondContact O-N 2.68Å; V48-R51 WeakPolarHBondContact O-CB 3.41Å; V48-R51 PolarHBondContact O-N 3.26Å; A49-R51 VanDerWaalsContact C-N 3.34Å; A49-R51 PolarHBondContact O-N 2.9Å; R51-A53 VanDerWaalsContact C-N 3.35Å; R51-A53 PolarHBondContact O-N 3Å; R51-R54 WeakPolarHBondContact O-CB 3.47Å; R51-R54 PolarHBondContact O-N 3.49Å; R51-E55 PolarHBondContact O-N 3.19Å |
| 52 | N | 90.4 | Very high | 84.8 | Confident | 84 Ų | 84 | 88.5 Ų | 88.5 | 45% | 0.449 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 177.9 | -70.9 | -9.6 | 0 | 0 | 0 | 111.7 | V48 A49 R54 E55 R56 | V48-N52 PolarHBondContact O-N 3.33Å; A49-N52 PolarHBondContact O-N 3.46Å; N52-R54 VanDerWaalsContact C-N 3.3Å; N52-R54 PolarHBondContact O-N 3.04Å; N52-E55 PolarHBondContact O-N 3.38Å; N52-R56 WeakPolarHBondContact O-CG 3.39Å; N52-R56 PolarHBondContact O-N 2.82Å |
| 53 | A | 84.4 | Confident | 86.1 | Confident | 35 Ų | 35 | 87.7 Ų | 87.7 | 29% | 0.289 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.7 | -35 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A49 C50 R51 R57 | A49-A53 WeakPolarHBondContact O-CB 3.39Å; A49-A53 PolarHBondContact O-N 2.87Å; C50-A53 PolarHBondContact O-N 3.35Å; R51-A53 VanDerWaalsContact C-N 3.35Å; R51-A53 PolarHBondContact O-N 3Å; A53-R57 WeakPolarHBondContact O-CG 3.39Å; A53-R57 PolarHBondContact O-N 3.42Å; A53-R57 PolarHBondContact O-NE 2.93Å |
| 54 | R | 90.2 | Very high | 87.2 | Confident | 134 Ų | 134 | 86.3 Ų | 86.3 | 51% | 0.506 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.2 | -44.6 | 172.9 | -176.3 | 177.7 | 64.8 | -109.5 | 5.4 | 111.4 | C50 R51 N52 R56 R57 R58 | C50-R54 PolarHBondContact O-N 3.46Å; R51-R54 WeakPolarHBondContact O-CB 3.47Å; R51-R54 PolarHBondContact O-N 3.49Å; N52-R54 VanDerWaalsContact C-N 3.3Å; N52-R54 PolarHBondContact O-N 3.04Å; R54-R56 PolarHBondContact O-N 3.27Å; R54-R57 WeakPolarHBondContact O-CB 3.45Å; R54-R57 PolarHBondContact O-N 3.08Å; R54-R58 PolarHBondContact O-N 2.94Å |
| 55 | E | 90.5 | Very high | 88.3 | Confident | 82 Ų | 82 | 85.1 Ų | 85.1 | 38% | 0.383 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 178.9 | -179.8 | 54.4 | -161.2 | 0 | 0 | 112.1 | R51 N52 R57 R58 V59 | R51-E55 PolarHBondContact O-N 3.19Å; N52-E55 PolarHBondContact O-N 3.38Å; E55-R57 VanDerWaalsContact C-N 3.32Å; E55-R57 PolarHBondContact O-N 3.27Å; E55-R58 WeakPolarHBondContact O-CB 3.38Å; E55-R58 PolarHBondContact O-N 3.36Å; E55-R58 IonicContact OE1-CZ 3.41Å; E55-R58 IonicContact OE1-NE 2.66Å; E55-R58 PolarHBondContact OE1-NE 3.48Å; E55-R58 IonicContact OE1-NH2 3.34Å; E55-R58 PolarHBondContact OE1-NH2 3.26Å; E55-R58 IonicContact OE2-CZ 3.73Å; E55-R58 IonicContact OE2-NE 3.82Å; E55-R58 PolarHBondContact OE2-NE 2.89Å; E55-R58 IonicContact OE2-NH2 3.77Å; E55-V59 WeakPolarHBondContact O-CG2 3.42Å; E55-V59 PolarHBondContact O-N 2.94Å; E55-V59 WeakPolarHBondContact OE1-CG2 3.45Å |
| 56 | R | 91.6 | Very high | 89.1 | Confident | 197 Ų | 197 | 82.9 Ų | 82.9 | 74% | 0.743 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -57 | -43.5 | 172 | -75.1 | 178.6 | 179.1 | 168.4 | 0.2 | 112.3 | N52 R54 V59 H60 | N52-R56 WeakPolarHBondContact O-CG 3.39Å; N52-R56 PolarHBondContact O-N 2.82Å; R54-R56 PolarHBondContact O-N 3.27Å; R56-V59 PolarHBondContact O-N 3.29Å; R56-H60 WeakPolarHBondContact O-CB 3.49Å; R56-H60 PolarHBondContact O-N 3.14Å |
| 57 | R | 90.3 | Very high | 89.7 | Confident | 94 Ų | 94 | 84.6 Ų | 84.6 | 36% | 0.355 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.8 | -78.7 | -179.3 | -89.8 | 173.4 | -15.6 | 112.2 | A53 R54 E55 H60 K61 | A53-R57 WeakPolarHBondContact O-CG 3.39Å; A53-R57 PolarHBondContact O-N 3.42Å; A53-R57 PolarHBondContact O-NE 2.93Å; R54-R57 WeakPolarHBondContact O-CB 3.45Å; R54-R57 PolarHBondContact O-N 3.08Å; E55-R57 VanDerWaalsContact C-N 3.32Å; E55-R57 PolarHBondContact O-N 3.27Å; R57-H60 WeakPolarHBondContact O-CB 3.33Å; R57-H60 PolarHBondContact O-N 2.92Å; R57-K61 PolarHBondContact O-N 3.26Å; R57-K61 VanDerWaalsContact O-N 3.08Å |
| 58 | R | 96.4 | Very high | 90.3 | Very high | 133 Ų | 133 | 84.2 Ų | 84.2 | 50% | 0.502 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 176.5 | -169.6 | -163.9 | 69.5 | 77.3 | -0.1 | 111.3 | R54 E55 H60 K61 V62 | R54-R58 PolarHBondContact O-N 2.94Å; E55-R58 WeakPolarHBondContact O-CB 3.38Å; E55-R58 PolarHBondContact O-N 3.36Å; E55-R58 IonicContact OE1-CZ 3.41Å; E55-R58 IonicContact OE1-NE 2.66Å; E55-R58 PolarHBondContact OE1-NE 3.48Å; E55-R58 IonicContact OE1-NH2 3.34Å; E55-R58 PolarHBondContact OE1-NH2 3.26Å; E55-R58 IonicContact OE2-CZ 3.73Å; E55-R58 IonicContact OE2-NE 3.82Å; E55-R58 PolarHBondContact OE2-NE 2.89Å; E55-R58 IonicContact OE2-NH2 3.77Å; R58-H60 VanDerWaalsContact C-N 3.3Å; R58-H60 PolarHBondContact O-N 3.27Å; R58-K61 PolarHBondContact O-N 3.15Å; R58-V62 WeakPolarHBondContact O-CG2 3.46Å; R58-V62 PolarHBondContact O-N 3.29Å; R58-V62 VanDerWaalsContact O-N 3.11Å |
| 59 | V | 93.2 | Very high | 91.2 | Very high | 51 Ų | 51 | 83.2 Ų | 83.2 | 31% | 0.309 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 177.6 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | E55 R56 V62 N63 | E55-V59 WeakPolarHBondContact O-CG2 3.42Å; E55-V59 PolarHBondContact O-N 2.94Å; E55-V59 WeakPolarHBondContact OE1-CG2 3.45Å; R56-V59 PolarHBondContact O-N 3.29Å; V59-V62 PolarHBondContact O-N 3.48Å; V59-N63 VanDerWaalsContact O-CG 3.26Å; V59-N63 PolarHBondContact O-N 3.25Å; V59-N63 PolarHBondContact O-ND2 3.41Å |
| 60 | H | 91.8 | Very high | 91.8 | Very high | 100 Ų | 100 | 82.5 Ų | 82.5 | 46% | 0.463 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.1 | -50.1 | 175.5 | -171.6 | 58.2 | 0 | 0 | 0 | 111.5 | R56 R57 R58 V62 N63 E64 | R56-H60 WeakPolarHBondContact O-CB 3.49Å; R56-H60 PolarHBondContact O-N 3.14Å; R57-H60 WeakPolarHBondContact O-CB 3.33Å; R57-H60 PolarHBondContact O-N 2.92Å; R58-H60 VanDerWaalsContact C-N 3.3Å; R58-H60 PolarHBondContact O-N 3.27Å; H60-V62 VanDerWaalsContact C-N 3.28Å; H60-V62 PolarHBondContact O-N 2.97Å; H60-N63 WeakPolarHBondContact O-CA 3.46Å; H60-N63 PolarHBondContact O-N 3.02Å; H60-E64 IonicContact CD2-OE1 2.86Å; H60-E64 IonicContact NE2-OE1 3.21Å; H60-E64 PolarHBondContact NE2-OE1 3.11Å; H60-E64 WeakPolarHBondContact O-CG 3.49Å; H60-E64 PolarHBondContact O-N 3.04Å |
| 61 | K | 91.6 | Very high | 92.3 | Very high | 121 Ų | 121 | 84.2 Ų | 84.2 | 53% | 0.526 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.2 | -41.4 | 175 | -71.8 | -170.5 | 176.3 | -173.2 | 0 | 112.8 | R57 R58 N63 E64 A65 | R57-K61 PolarHBondContact O-N 3.26Å; R57-K61 VanDerWaalsContact O-N 3.08Å; R58-K61 PolarHBondContact O-N 3.15Å; K61-N63 VanDerWaalsContact C-N 3.34Å; K61-E64 PolarHBondContact O-N 3.32Å; K61-A65 PolarHBondContact O-N 3.3Å; K61-A65 VanDerWaalsContact O-N 3.15Å |
| 62 | V | 94 | Very high | 92.9 | Very high | 55 Ų | 55 | 81.8 Ų | 81.8 | 33% | 0.333 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 176 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | R58 V59 H60 A65 F66 | R58-V62 WeakPolarHBondContact O-CG2 3.46Å; R58-V62 PolarHBondContact O-N 3.29Å; R58-V62 VanDerWaalsContact O-N 3.11Å; V59-V62 PolarHBondContact O-N 3.48Å; H60-V62 VanDerWaalsContact C-N 3.28Å; H60-V62 PolarHBondContact O-N 2.97Å; V62-A65 WeakPolarHBondContact O-CB 3.48Å; V62-A65 PolarHBondContact O-N 3.29Å; V62-F66 HydrophobicContact CG1-CD2 3.9Å; V62-F66 HydrophobicContact CG1-CE2 3.8Å; V62-F66 VanDerWaalsContact O-CD2 3.31Å; V62-F66 WeakPolarHBondContact O-CD2 3.49Å; V62-F66 PolarHBondContact O-N 3.01Å; V62-F66 VanDerWaalsContact O-N 3.08Å |
| 63 | N | 96 | Very high | 93.2 | Very high | 54 Ų | 54 | 78 Ų | 78 | 29% | 0.289 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.3 | -38.6 | 179.2 | -67.7 | -19.7 | 0 | 0 | 0 | 112 | V59 H60 K61 A65 F66 D67 K85 | V59-N63 VanDerWaalsContact O-CG 3.26Å; V59-N63 PolarHBondContact O-N 3.25Å; V59-N63 PolarHBondContact O-ND2 3.41Å; H60-N63 WeakPolarHBondContact O-CA 3.46Å; H60-N63 PolarHBondContact O-N 3.02Å; K61-N63 VanDerWaalsContact C-N 3.34Å; N63-A65 VanDerWaalsContact C-N 3.27Å; N63-A65 PolarHBondContact O-N 3.48Å; N63-F66 WeakPolarHBondContact O-CA 3.31Å; N63-F66 WeakPolarHBondContact O-CB 3.34Å; N63-F66 PolarHBondContact O-N 3Å; N63-D67 PolarHBondContact O-N 3.33Å; N63-K85 WeakPolarHBondContact OD1-CE 3.4Å; N63-K85 PolarHBondContact OD1-NZ 3.32Å |
| 64 | E | 95.2 | Very high | 93.5 | Very high | 94 Ų | 94 | 79.8 Ų | 79.8 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -56.4 | -42.1 | 171.9 | -69.1 | 174.7 | 146.1 | 0 | 0 | 111.3 | H60 K61 F66 D67 A68 | H60-E64 IonicContact CD2-OE1 2.86Å; H60-E64 IonicContact NE2-OE1 3.21Å; H60-E64 PolarHBondContact NE2-OE1 3.11Å; H60-E64 WeakPolarHBondContact O-CG 3.49Å; H60-E64 PolarHBondContact O-N 3.04Å; K61-E64 PolarHBondContact O-N 3.32Å; E64-F66 PolarHBondContact O-N 2.76Å; E64-D67 PolarHBondContact O-N 2.96Å; E64-A68 WeakPolarHBondContact O-CB 3.32Å; E64-A68 PolarHBondContact O-N 3.47Å |
| 65 | A | 95.6 | Very high | 93.5 | Very high | 59 Ų | 59 | 78.1 Ų | 78.1 | 49% | 0.488 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65 | -36.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K61 V62 N63 L69 | K61-A65 PolarHBondContact O-N 3.3Å; K61-A65 VanDerWaalsContact O-N 3.15Å; V62-A65 WeakPolarHBondContact O-CB 3.48Å; V62-A65 PolarHBondContact O-N 3.29Å; N63-A65 VanDerWaalsContact C-N 3.27Å; N63-A65 PolarHBondContact O-N 3.48Å; A65-L69 WeakPolarHBondContact O-CB 3.5Å; A65-L69 PolarHBondContact O-N 3.39Å |
| 66 | F | 96.1 | Very high | 93.6 | Very high | 42 Ų | 42 | 74.4 Ų | 74.4 | 18% | 0.184 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 173.2 | -89.9 | -80.9 | 0 | 0 | 0 | 112.3 | V62 N63 E64 K70 K85 I88 L89 | V62-F66 HydrophobicContact CG1-CD2 3.9Å; V62-F66 HydrophobicContact CG1-CE2 3.8Å; V62-F66 VanDerWaalsContact O-CD2 3.31Å; V62-F66 WeakPolarHBondContact O-CD2 3.49Å; V62-F66 PolarHBondContact O-N 3.01Å; V62-F66 VanDerWaalsContact O-N 3.08Å; N63-F66 WeakPolarHBondContact O-CA 3.31Å; N63-F66 WeakPolarHBondContact O-CB 3.34Å; N63-F66 PolarHBondContact O-N 3Å; E64-F66 PolarHBondContact O-N 2.76Å; F66-K70 WeakPolarHBondContact O-CB 3.41Å; F66-K70 PolarHBondContact O-N 3.08Å; F66-K85 HydrophobicContact CD1-CB 4.36Å; F66-K85 HydrophobicContact CD1-CG 4.18Å; F66-K85 HydrophobicContact CD2-CD 4.4Å; F66-K85 HydrophobicContact CE1-CB 3.86Å; F66-K85 HydrophobicContact CE1-CD 4.39Å; F66-K85 HydrophobicContact CE1-CG 4.02Å; F66-K85 HydrophobicContact CE2-CD 4.07Å; F66-K85 HydrophobicContact CG-CG 4.49Å; F66-K85 HydrophobicContact CZ-CB 4.2Å; F66-K85 HydrophobicContact CZ-CD 4.07Å; F66-K85 HydrophobicContact CZ-CG 4.21Å; F66-I88 HydrophobicContact CD1-CB 4.44Å; F66-I88 HydrophobicContact CD1-CD1 4.19Å; F66-I88 HydrophobicContact CD1-CG2 4.19Å; F66-L89 HydrophobicContact CE1-CD2 4.07Å; F66-L89 HydrophobicContact CE1-CG 4.15Å |
| 67 | D | 93.5 | Very high | 93.3 | Very high | 104 Ų | 104 | 72.5 Ų | 72.5 | 56% | 0.556 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -69.7 | -40.9 | 177.4 | -70.4 | -33.9 | 0 | 0 | 0 | 111.4 | N63 E64 K70 S71 | N63-D67 PolarHBondContact O-N 3.33Å; E64-D67 PolarHBondContact O-N 2.96Å; D67-K70 WeakPolarHBondContact O-CB 3.26Å; D67-K70 PolarHBondContact O-N 3.45Å; D67-S71 PolarHBondContact O-N 3Å |
| 68 | A | 93.7 | Very high | 92.8 | Very high | 28 Ų | 28 | 77 Ų | 77 | 23% | 0.231 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.6 | -50.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | F16 E64 K70 S71 C72 | F16-A68 HydrophobicContact CE2-CB 3.92Å; E64-A68 WeakPolarHBondContact O-CB 3.32Å; E64-A68 PolarHBondContact O-N 3.47Å; A68-K70 VanDerWaalsContact C-N 3.31Å; A68-K70 PolarHBondContact O-N 2.86Å; A68-S71 WeakPolarHBondContact O-CB 3.27Å; A68-S71 PolarHBondContact O-N 3.49Å; A68-S71 VanDerWaalsContact O-N 3.09Å; A68-S71 PolarHBondContact O-OG 2.76Å; A68-C72 PolarHBondContact O-N 3.05Å; A68-C72 PolarHBondContact O-SG 3.25Å |
| 69 | L | 95.9 | Very high | 92.1 | Very high | 62 Ų | 62 | 76.6 Ų | 76.6 | 33% | 0.325 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56.3 | -45.8 | 175.3 | 177.8 | 58.4 | 0 | 0 | 0 | 111.2 | A65 S71 C72 L73 I88 A92 | A65-L69 WeakPolarHBondContact O-CB 3.5Å; A65-L69 PolarHBondContact O-N 3.39Å; L69-S71 VanDerWaalsContact C-N 3.26Å; L69-S71 PolarHBondContact O-N 3.32Å; L69-C72 PolarHBondContact O-N 3.08Å; L69-L73 HydrophobicContact CG-CD1 4.38Å; L69-L73 WeakPolarHBondContact O-CG 3.48Å; L69-I88 HydrophobicContact CB-CG2 4.31Å; L69-I88 HydrophobicContact CD2-CG2 3.65Å; L69-I88 HydrophobicContact CG-CG2 3.76Å; L69-A92 HydrophobicContact CD1-CB 4.06Å; L69-A92 HydrophobicContact CD2-CB 4.29Å; L69-A92 HydrophobicContact CG-CB 4.49Å |
| 70 | K | 94.7 | Very high | 91.7 | Very high | 41 Ų | 41 | 81.1 Ų | 81.1 | 18% | 0.178 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -56.6 | -39.6 | 177.6 | -175 | -167.6 | 166.2 | -166 | 0 | 112.1 | F66 D67 A68 C72 L73 L76 R79 R81 V83 I88 | F66-K70 WeakPolarHBondContact O-CB 3.41Å; F66-K70 PolarHBondContact O-N 3.08Å; D67-K70 WeakPolarHBondContact O-CB 3.26Å; D67-K70 PolarHBondContact O-N 3.45Å; A68-K70 VanDerWaalsContact C-N 3.31Å; A68-K70 PolarHBondContact O-N 2.86Å; K70-C72 VanDerWaalsContact C-N 3.29Å; K70-C72 PolarHBondContact O-N 2.92Å; K70-L73 PolarHBondContact O-N 3.06Å; K70-L76 HydrophobicContact CG-CB 4.06Å; K70-L76 HydrophobicContact CG-CD1 4.39Å; K70-R79 PolarHBondContact NZ-O 3.25Å; K70-R81 PolarHBondContact NZ-O 2.9Å; K70-V83 HydrophobicContact CD-CB 4.49Å; K70-V83 HydrophobicContact CD-CG2 4.29Å; K70-I88 HydrophobicContact CB-CD1 4.17Å; K70-I88 HydrophobicContact CB-CG1 4.36Å; K70-I88 HydrophobicContact CG-CG1 4.47Å |
| 71 | S | 92.8 | Very high | 91.5 | Very high | 66 Ų | 66 | 85.8 Ų | 85.8 | 46% | 0.462 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.5 | -28.6 | -177.1 | 78.5 | 0 | 0 | 0 | 0 | 113.8 | D67 A68 L69 | D67-S71 PolarHBondContact O-N 3Å; A68-S71 WeakPolarHBondContact O-CB 3.27Å; A68-S71 PolarHBondContact O-N 3.49Å; A68-S71 VanDerWaalsContact O-N 3.09Å; A68-S71 PolarHBondContact O-OG 2.76Å; L69-S71 VanDerWaalsContact C-N 3.26Å; L69-S71 PolarHBondContact O-N 3.32Å |
| 72 | C | 93.4 | Very high | 91.4 | Very high | 82 Ų | 82 | 91.3 Ų | 91.3 | 55% | 0.554 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -80.8 | -15.4 | 178.4 | -57.5 | 0 | 0 | 0 | 0 | 113 | A68 L69 K70 P74 | A68-C72 PolarHBondContact O-N 3.05Å; A68-C72 PolarHBondContact O-SG 3.25Å; L69-C72 PolarHBondContact O-N 3.08Å; K70-C72 VanDerWaalsContact C-N 3.29Å; K70-C72 PolarHBondContact O-N 2.92Å; C72-P74 WeakPolarHBondContact O-CD 3.22Å |
| 73 | L | 95.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 90 Ų | 90 | 2% | 0.016 | 46% | 0.456 | C | S | . | . | trans | -85.9 | 116.4 | -173.9 | -63.3 | 172.2 | 0 | 0 | 0 | 111.1 | L69 K70 T75 L76 K77 I88 A92 Y95 | L69-L73 HydrophobicContact CG-CD1 4.38Å; L69-L73 WeakPolarHBondContact O-CG 3.48Å; K70-L73 PolarHBondContact O-N 3.06Å; L73-T75 VanDerWaalsContact C-N 3.29Å; L73-T75 PolarHBondContact O-N 3.38Å; L73-L76 HydrophobicContact CB-CB 4.17Å; L73-L76 HydrophobicContact CB-CD1 4.35Å; L73-L76 HydrophobicContact CB-CG 4.32Å; L73-L76 HydrophobicContact CD1-CD1 3.8Å; L73-L76 PolarHBondContact O-N 2.72Å; L73-K77 WeakPolarHBondContact O-CB 3.45Å; L73-K77 PolarHBondContact O-N 3.45Å; L73-I88 HydrophobicContact CD1-CG2 4.01Å; L73-A92 HydrophobicContact CD1-CB 4.26Å; L73-A92 VanDerWaalsContact CD2-CA 3.46Å; L73-A92 HydrophobicContact CD2-CB 3.92Å; L73-Y95 HydrophobicContact CD2-CD1 3.94Å; L73-Y95 HydrophobicContact CD2-CG 4.28Å | ||
| 74 | P | 91.9 | Very high | 91.4 | Very high | 73 Ų | 73 | 91 Ų | 91 | 47% | 0.474 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -55.7 | -41.1 | -174.4 | -26.6 | 34.2 | 0 | 0 | 0 | 113.6 | C72 L76 Y95 | C72-P74 WeakPolarHBondContact O-CD 3.22Å; P74-L76 VanDerWaalsContact C-N 3.27Å; P74-L76 PolarHBondContact O-N 3.33Å; P74-Y95 HydrophobicContact CG-CD2 3.85Å; P74-Y95 HydrophobicContact CG-CE2 3.48Å; P74-Y95 VanDerWaalsContact CG-CE2 3.48Å |
| 75 | T | 90.3 | Very high | 91.4 | Very high | 100 Ų | 100 | 91.2 Ų | 91.2 | 61% | 0.613 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -71.6 | -17.5 | -178.8 | 59.1 | 0 | 0 | 0 | 0 | 114 | L73 | L73-T75 VanDerWaalsContact C-N 3.29Å; L73-T75 PolarHBondContact O-N 3.38Å |
| 76 | L | 92.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 92.9 Ų | 92.9 | 2% | 0.021 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -114 | -16 | -176 | -57.4 | -177.1 | 0 | 0 | 0 | 113.4 | K70 L73 P74 Q78 R79 V83 I88 | K70-L76 HydrophobicContact CG-CB 4.06Å; K70-L76 HydrophobicContact CG-CD1 4.39Å; L73-L76 HydrophobicContact CB-CB 4.17Å; L73-L76 HydrophobicContact CB-CD1 4.35Å; L73-L76 HydrophobicContact CB-CG 4.32Å; L73-L76 HydrophobicContact CD1-CD1 3.8Å; L73-L76 PolarHBondContact O-N 2.72Å; P74-L76 VanDerWaalsContact C-N 3.27Å; P74-L76 PolarHBondContact O-N 3.33Å; L76-Q78 VanDerWaalsContact C-N 3.32Å; L76-Q78 PolarHBondContact O-N 3.04Å; L76-R79 WeakPolarHBondContact O-CB 3.08Å; L76-R79 PolarHBondContact O-N 3.18Å; L76-V83 HydrophobicContact CD1-CG1 4.05Å; L76-V83 HydrophobicContact CD2-CG1 4.23Å; L76-V83 HydrophobicContact CD2-CG2 4.34Å; L76-I88 HydrophobicContact CD1-CG1 4.15Å |
| 77 | K | 86 | Confident | 91.4 | Very high | 157 Ų | 157 | 94.9 Ų | 94.9 | 68% | 0.683 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -56.9 | -40.6 | -175.8 | -171.3 | 172.7 | -177.2 | 177.6 | 0 | 113.1 | L73 R79 | L73-K77 WeakPolarHBondContact O-CB 3.45Å; L73-K77 PolarHBondContact O-N 3.45Å; K77-R79 VanDerWaalsContact C-N 3.35Å |
| 78 | Q | 79.9 | Confident | 91.6 | Very high | 187 Ų | 187 | 90.2 Ų | 90.2 | 87% | 0.874 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -5.9 | 179.8 | -64.8 | 174.8 | -12 | 0 | 0 | 113.6 | L76 T80 | L76-Q78 VanDerWaalsContact C-N 3.32Å; L76-Q78 PolarHBondContact O-N 3.04Å; Q78-T80 PolarHBondContact O-N 2.87Å |
| 79 | R | 81.6 | Confident | 91.8 | Very high | 125 Ų | 125 | 92.7 Ų | 92.7 | 47% | 0.472 | 46% | 0.459 | S | S | . | . | trans | -85.4 | 105.7 | -175.9 | -176.9 | 175.4 | -89.2 | -178.6 | -1.7 | 111 | K70 L76 K77 R81 V83 | K70-R79 PolarHBondContact NZ-O 3.25Å; L76-R79 WeakPolarHBondContact O-CB 3.08Å; L76-R79 PolarHBondContact O-N 3.18Å; K77-R79 VanDerWaalsContact C-N 3.35Å; R79-R81 VanDerWaalsContact C-N 3.29Å; R79-R81 HydrophobicContact CG-CB 3.93Å; R79-R81 PolarHBondContact O-N 3.47Å; R79-V83 HydrophobicContact CG-CG2 4.31Å | ||
| 80 | T | 83.1 | Confident | 91.8 | Very high | 147 Ų | 147 | 96.4 Ų | 96.4 | 90% | 0.902 | 47% | 0.469 | S | S | * | . | trans | -67.7 | -27.4 | 171.2 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | Q78 | Q78-T80 PolarHBondContact O-N 2.87Š| ||
| 81 | R | 87.8 | Confident | 91.9 | Very high | 197 Ų | 197 | 94.6 Ų | 94.6 | 74% | 0.743 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -65.3 | 147.5 | 177.9 | -169.6 | 176.3 | 175.6 | 178 | 0.7 | 112.1 | K70 R79 V83 | K70-R81 PolarHBondContact NZ-O 2.9Å; R79-R81 VanDerWaalsContact C-N 3.29Å; R79-R81 HydrophobicContact CG-CB 3.93Å; R79-R81 PolarHBondContact O-N 3.47Å; R81-V83 PolarHBondContact O-N 3.23Å |
| 82 | R | 91.1 | Very high | 92.1 | Very high | 237 Ų | 237 | 92 Ų | 92 | 89% | 0.894 | 44% | 0.444 | S | S | * | . | trans | -52.9 | 133.7 | 169.2 | -63.5 | -178.6 | 71.8 | -177.5 | 2.1 | 110.7 | ||||
| 83 | V | 92.4 | Very high | 92.2 | Very high | 29 Ų | 29 | 92.3 Ų | 92.3 | 18% | 0.176 | 44% | 0.439 | C | S | . | . | trans | -116.2 | 138.3 | 177.7 | -173.9 | 0 | 0 | 0 | 0 | 108.9 | K70 L76 R79 R81 K87 I88 | K70-V83 HydrophobicContact CD-CB 4.49Å; K70-V83 HydrophobicContact CD-CG2 4.29Å; L76-V83 HydrophobicContact CD1-CG1 4.05Å; L76-V83 HydrophobicContact CD2-CG1 4.23Å; L76-V83 HydrophobicContact CD2-CG2 4.34Å; R79-V83 HydrophobicContact CG-CG2 4.31Å; R81-V83 PolarHBondContact O-N 3.23Å; V83-K87 HydrophobicContact CG1-CB 3.82Å; V83-K87 HydrophobicContact CG1-CG 3.86Å; V83-I88 HydrophobicContact CB-CG1 4.24Å; V83-I88 HydrophobicContact CG1-CG1 3.83Å | ||
| 84 | S | 95.9 | Very high | 92.2 | Very high | 73 Ų | 73 | 97.3 Ų | 97.3 | 51% | 0.51 | 46% | 0.462 | S | S | . | . | trans | -71 | 150 | 177.7 | 66.8 | 0 | 0 | 0 | 0 | 111.6 | L86 K87 I88 | S84-L86 VanDerWaalsContact C-N 3.27Å; S84-L86 PolarHBondContact O-N 3.31Å; S84-K87 PolarHBondContact O-N 2.85Å; S84-K87 WeakPolarHBondContact OG-CB 3.48Å; S84-K87 PolarHBondContact OG-N 2.97Å; S84-I88 PolarHBondContact O-N 3.4Å | ||
| 85 | K | 95.8 | Very high | 92.4 | Very high | 100 Ų | 100 | 97.9 Ų | 97.9 | 44% | 0.435 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -54.3 | -44.5 | 176.9 | -68.1 | -173.7 | 174.6 | -171.9 | 0 | 111.6 | N63 F66 K87 I88 L89 | N63-K85 WeakPolarHBondContact OD1-CE 3.4Å; N63-K85 PolarHBondContact OD1-NZ 3.32Å; F66-K85 HydrophobicContact CD1-CB 4.36Å; F66-K85 HydrophobicContact CD1-CG 4.18Å; F66-K85 HydrophobicContact CD2-CD 4.4Å; F66-K85 HydrophobicContact CE1-CB 3.86Å; F66-K85 HydrophobicContact CE1-CD 4.39Å; F66-K85 HydrophobicContact CE1-CG 4.02Å; F66-K85 HydrophobicContact CE2-CD 4.07Å; F66-K85 HydrophobicContact CG-CG 4.49Å; F66-K85 HydrophobicContact CZ-CB 4.2Å; F66-K85 HydrophobicContact CZ-CD 4.07Å; F66-K85 HydrophobicContact CZ-CG 4.21Å; K85-K87 VanDerWaalsContact C-N 3.33Å; K85-K87 PolarHBondContact O-N 3.43Å; K85-I88 PolarHBondContact O-N 3.22Å; K85-L89 WeakPolarHBondContact O-CG 3.42Å; K85-L89 PolarHBondContact O-N 2.84Å |
| 86 | L | 97.3 | Very high | 92.6 | Very high | 94 Ų | 94 | 97.6 Ų | 97.6 | 49% | 0.492 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 177 | -178.5 | 60.8 | 0 | 0 | 0 | 112.7 | S84 L89 R90 | S84-L86 VanDerWaalsContact C-N 3.27Å; S84-L86 PolarHBondContact O-N 3.31Å; L86-L89 PolarHBondContact O-N 3.44Å; L86-R90 HydrophobicContact CD1-CG 4.48Å; L86-R90 WeakPolarHBondContact O-CG 3.45Å; L86-R90 PolarHBondContact O-N 2.98Å |
| 87 | K | 95.4 | Very high | 92.6 | Very high | 83 Ų | 83 | 103.8 Ų | 103.8 | 36% | 0.361 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.4 | -36.1 | 179.3 | -176.2 | 62.1 | 179.4 | 170.7 | 0 | 111.9 | V83 S84 K85 S91 | V83-K87 HydrophobicContact CG1-CB 3.82Å; V83-K87 HydrophobicContact CG1-CG 3.86Å; S84-K87 PolarHBondContact O-N 2.85Å; S84-K87 WeakPolarHBondContact OG-CB 3.48Å; S84-K87 PolarHBondContact OG-N 2.97Å; K85-K87 VanDerWaalsContact C-N 3.33Å; K85-K87 PolarHBondContact O-N 3.43Å; K87-S91 WeakPolarHBondContact O-CB 3.36Å; K87-S91 PolarHBondContact O-N 2.96Å; K87-S91 PolarHBondContact O-OG 2.98Å |
| 88 | I | 96.7 | Very high | 92.9 | Very high | 6 Ų | 6 | 99.5 Ų | 99.5 | 3% | 0.031 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -59.4 | -49.6 | 171.9 | -65.4 | 167.4 | 0 | 0 | 0 | 109.5 | F66 L69 K70 L73 L76 V83 S84 K85 R90 S91 A92 | F66-I88 HydrophobicContact CD1-CB 4.44Å; F66-I88 HydrophobicContact CD1-CD1 4.19Å; F66-I88 HydrophobicContact CD1-CG2 4.19Å; L69-I88 HydrophobicContact CB-CG2 4.31Å; L69-I88 HydrophobicContact CD2-CG2 3.65Å; L69-I88 HydrophobicContact CG-CG2 3.76Å; K70-I88 HydrophobicContact CB-CD1 4.17Å; K70-I88 HydrophobicContact CB-CG1 4.36Å; K70-I88 HydrophobicContact CG-CG1 4.47Å; L73-I88 HydrophobicContact CD1-CG2 4.01Å; L76-I88 HydrophobicContact CD1-CG1 4.15Å; V83-I88 HydrophobicContact CB-CG1 4.24Å; V83-I88 HydrophobicContact CG1-CG1 3.83Å; S84-I88 PolarHBondContact O-N 3.4Å; K85-I88 PolarHBondContact O-N 3.22Å; I88-R90 PolarHBondContact O-N 3Å; I88-S91 PolarHBondContact O-N 2.9Å; I88-A92 WeakPolarHBondContact O-CB 3.47Å; I88-A92 PolarHBondContact O-N 3.14Å |
| 89 | L | 97.8 | Very high | 93.5 | Very high | 81 Ų | 81 | 94.3 Ų | 94.3 | 42% | 0.424 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 179.3 | -65.5 | 174.2 | 0 | 0 | 0 | 112.6 | F66 K85 L86 S91 A92 I93 | F66-L89 HydrophobicContact CE1-CD2 4.07Å; F66-L89 HydrophobicContact CE1-CG 4.15Å; K85-L89 WeakPolarHBondContact O-CG 3.42Å; K85-L89 PolarHBondContact O-N 2.84Å; L86-L89 PolarHBondContact O-N 3.44Å; L89-S91 PolarHBondContact O-N 2.9Å; L89-A92 PolarHBondContact O-N 3.19Å; L89-I93 WeakPolarHBondContact O-CG1 3.45Å; L89-I93 PolarHBondContact O-N 3.38Å; L89-I93 VanDerWaalsContact O-N 3.08Å |
| 90 | R | 96.9 | Very high | 93.9 | Very high | 139 Ų | 139 | 92 Ų | 92 | 53% | 0.525 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 177.3 | -74.2 | 178.3 | 177.9 | 160.9 | -1.6 | 112.1 | L86 I88 A92 I93 E94 | L86-R90 HydrophobicContact CD1-CG 4.48Å; L86-R90 WeakPolarHBondContact O-CG 3.45Å; L86-R90 PolarHBondContact O-N 2.98Å; I88-R90 PolarHBondContact O-N 3Å; R90-A92 VanDerWaalsContact C-N 3.28Å; R90-A92 PolarHBondContact O-N 2.99Å; R90-I93 PolarHBondContact O-N 2.92Å; R90-E94 WeakPolarHBondContact O-CG 3.43Å; R90-E94 PolarHBondContact O-N 3.44Å |
| 91 | S | 95.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 89.5 Ų | 89.5 | 2% | 0.021 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.7 | -31.5 | -179.5 | -49 | 0 | 0 | 0 | 0 | 111.6 | K87 I88 L89 Y95 | K87-S91 WeakPolarHBondContact O-CB 3.36Å; K87-S91 PolarHBondContact O-N 2.96Å; K87-S91 PolarHBondContact O-OG 2.98Å; I88-S91 PolarHBondContact O-N 2.9Å; L89-S91 PolarHBondContact O-N 2.9Å; S91-Y95 WeakPolarHBondContact O-CB 3.33Å; S91-Y95 PolarHBondContact O-N 3.21Å |
| 92 | A | 97 | Very high | 94.3 | Very high | 12 Ų | 12 | 84.9 Ų | 84.9 | 10% | 0.099 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -67 | -44.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L69 L73 I88 L89 R90 E94 Y95 I96 | L69-A92 HydrophobicContact CD1-CB 4.06Å; L69-A92 HydrophobicContact CD2-CB 4.29Å; L69-A92 HydrophobicContact CG-CB 4.49Å; L73-A92 HydrophobicContact CD1-CB 4.26Å; L73-A92 VanDerWaalsContact CD2-CA 3.46Å; L73-A92 HydrophobicContact CD2-CB 3.92Å; I88-A92 WeakPolarHBondContact O-CB 3.47Å; I88-A92 PolarHBondContact O-N 3.14Å; L89-A92 PolarHBondContact O-N 3.19Å; R90-A92 VanDerWaalsContact C-N 3.28Å; R90-A92 PolarHBondContact O-N 2.99Å; A92-E94 VanDerWaalsContact C-N 3.35Å; A92-E94 PolarHBondContact O-N 2.66Å; A92-Y95 PolarHBondContact O-N 2.86Å; A92-I96 WeakPolarHBondContact O-CG1 3.26Å; A92-I96 PolarHBondContact O-N 3.33Å |
| 93 | I | 95.9 | Very high | 94.2 | Very high | 88 Ų | 88 | 77.1 Ų | 77.1 | 45% | 0.451 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 175.6 | -65.6 | 164.7 | 0 | 0 | 0 | 110.4 | L89 R90 Y95 I96 K97 | L89-I93 WeakPolarHBondContact O-CG1 3.45Å; L89-I93 PolarHBondContact O-N 3.38Å; L89-I93 VanDerWaalsContact O-N 3.08Å; R90-I93 PolarHBondContact O-N 2.92Å; I93-Y95 VanDerWaalsContact C-N 3.32Å; I93-Y95 PolarHBondContact O-N 3.48Å; I93-I96 PolarHBondContact O-N 3.18Å; I93-K97 HydrophobicContact CG2-CD 4.35Å; I93-K97 WeakPolarHBondContact O-CG 3.38Å; I93-K97 PolarHBondContact O-N 2.75Å; I93-K97 VanDerWaalsContact O-N 3.07Å |
| 94 | E | 95.5 | Very high | 93.7 | Very high | 109 Ų | 109 | 79.9 Ų | 79.9 | 51% | 0.509 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 176.3 | -72 | 164.3 | -160.8 | 0 | 0 | 111.7 | R90 A92 K97 C98 | R90-E94 WeakPolarHBondContact O-CG 3.43Å; R90-E94 PolarHBondContact O-N 3.44Å; A92-E94 VanDerWaalsContact C-N 3.35Å; A92-E94 PolarHBondContact O-N 2.66Å; E94-K97 PolarHBondContact O-N 2.63Å; E94-C98 WeakPolarHBondContact O-CB 3.48Å; E94-C98 PolarHBondContact O-N 3.26Å |
| 95 | Y | 95.9 | Very high | 92.5 | Very high | 84 Ų | 84 | 83.8 Ų | 83.8 | 33% | 0.329 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 179.2 | -174.8 | -134.5 | 0 | 0 | 0 | 112.2 | L73 P74 S91 A92 I93 K97 C98 L99 | L73-Y95 HydrophobicContact CD2-CD1 3.94Å; L73-Y95 HydrophobicContact CD2-CG 4.28Å; P74-Y95 HydrophobicContact CG-CD2 3.85Å; P74-Y95 HydrophobicContact CG-CE2 3.48Å; P74-Y95 VanDerWaalsContact CG-CE2 3.48Å; S91-Y95 WeakPolarHBondContact O-CB 3.33Å; S91-Y95 PolarHBondContact O-N 3.21Å; A92-Y95 PolarHBondContact O-N 2.86Å; I93-Y95 VanDerWaalsContact C-N 3.32Å; I93-Y95 PolarHBondContact O-N 3.48Å; Y95-K97 VanDerWaalsContact C-N 3.33Å; Y95-K97 PolarHBondContact O-N 3.36Å; Y95-C98 PolarHBondContact O-N 3.44Å; Y95-L99 HydrophobicContact CD1-CD1 4.04Å; Y95-L99 HydrophobicContact CD2-CD1 4.32Å; Y95-L99 HydrophobicContact CD2-CG 4.09Å; Y95-L99 HydrophobicContact CE1-CD1 3.72Å; Y95-L99 HydrophobicContact CE1-CG 4.43Å; Y95-L99 HydrophobicContact CE2-CD1 4Å; Y95-L99 HydrophobicContact CE2-CD2 3.81Å; Y95-L99 HydrophobicContact CE2-CG 3.79Å; Y95-L99 HydrophobicContact CG-CD1 4.34Å; Y95-L99 VanDerWaalsContact O-CG 3.3Å; Y95-L99 WeakPolarHBondContact O-CG 3.04Å; Y95-L99 PolarHBondContact O-N 3.25Å |
| 96 | I | 94.8 | Very high | 91.2 | Very high | 95 Ų | 95 | 86.2 Ų | 86.2 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 175 | -68 | 165.8 | 0 | 0 | 0 | 110.5 | A92 I93 C98 L99 Q100 | A92-I96 WeakPolarHBondContact O-CG1 3.26Å; A92-I96 PolarHBondContact O-N 3.33Å; I93-I96 PolarHBondContact O-N 3.18Å; I96-C98 PolarHBondContact O-N 2.92Å; I96-L99 PolarHBondContact O-N 2.93Å; I96-Q100 HydrophobicContact CG2-CG 4.37Å; I96-Q100 WeakPolarHBondContact O-CB 3.16Å; I96-Q100 VanDerWaalsContact O-CG 3.27Å; I96-Q100 WeakPolarHBondContact O-CG 3.34Å; I96-Q100 PolarHBondContact O-N 2.94Å |
| 97 | K | 92.7 | Very high | 89.8 | Confident | 134 Ų | 134 | 83.5 Ų | 83.5 | 58% | 0.583 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.5 | -42.4 | 178.1 | -72.1 | 178 | 177.2 | -172.9 | 0 | 112.7 | I93 E94 Y95 Q100 S101 | I93-K97 HydrophobicContact CG2-CD 4.35Å; I93-K97 WeakPolarHBondContact O-CG 3.38Å; I93-K97 PolarHBondContact O-N 2.75Å; I93-K97 VanDerWaalsContact O-N 3.07Å; E94-K97 PolarHBondContact O-N 2.63Å; Y95-K97 VanDerWaalsContact C-N 3.33Å; Y95-K97 PolarHBondContact O-N 3.36Å; K97-Q100 PolarHBondContact O-N 3.29Å; K97-S101 PolarHBondContact O-N 3.3Å |
| 98 | C | 92.8 | Very high | 88.2 | Confident | 67 Ų | 67 | 81.4 Ų | 81.4 | 45% | 0.453 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 111 | E94 Y95 I96 Q100 S101 C102 | E94-C98 WeakPolarHBondContact O-CB 3.48Å; E94-C98 PolarHBondContact O-N 3.26Å; Y95-C98 PolarHBondContact O-N 3.44Å; I96-C98 PolarHBondContact O-N 2.92Å; C98-Q100 VanDerWaalsContact C-N 3.32Å; C98-Q100 PolarHBondContact O-N 3.04Å; C98-S101 PolarHBondContact O-N 3.45Å; C98-S101 VanDerWaalsContact O-N 3.08Å; C98-S101 PolarHBondContact O-OG 3.19Å; C98-C102 PolarHBondContact O-N 2.86Å; C98-C102 VanDerWaalsContact O-N 3.15Å; C98-C102 PolarHBondContact O-SG 2.05Å; C98-C102 VanDerWaalsContact O-SG 3.37Å |
| 99 | L | 91.9 | Very high | 86.6 | Confident | 77 Ų | 77 | 84.1 Ų | 84.1 | 40% | 0.403 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.2 | -45.4 | 175.5 | -69.7 | 175.8 | 0 | 0 | 0 | 111.5 | Y95 I96 S101 C102 L103 | Y95-L99 HydrophobicContact CD1-CD1 4.04Å; Y95-L99 HydrophobicContact CD2-CD1 4.32Å; Y95-L99 HydrophobicContact CD2-CG 4.09Å; Y95-L99 HydrophobicContact CE1-CD1 3.72Å; Y95-L99 HydrophobicContact CE1-CG 4.43Å; Y95-L99 HydrophobicContact CE2-CD1 4Å; Y95-L99 HydrophobicContact CE2-CD2 3.81Å; Y95-L99 HydrophobicContact CE2-CG 3.79Å; Y95-L99 HydrophobicContact CG-CD1 4.34Å; Y95-L99 VanDerWaalsContact O-CG 3.3Å; Y95-L99 WeakPolarHBondContact O-CG 3.04Å; Y95-L99 PolarHBondContact O-N 3.25Å; I96-L99 PolarHBondContact O-N 2.93Å; L99-S101 VanDerWaalsContact C-N 3.28Å; L99-S101 PolarHBondContact O-N 2.9Å; L99-C102 PolarHBondContact O-N 3.46Å; L99-C102 VanDerWaalsContact O-N 3.12Å; L99-L103 WeakPolarHBondContact O-CG 3.39Å; L99-L103 PolarHBondContact O-N 3.21Å |
| 100 | Q | 90.6 | Very high | 85.1 | Confident | 78 Ų | 78 | 88.5 Ų | 88.5 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.8 | -36.7 | 176.3 | -74.4 | 173.2 | -38.4 | 0 | 0 | 112.8 | I96 K97 C98 C102 L103 | I96-Q100 HydrophobicContact CG2-CG 4.37Å; I96-Q100 WeakPolarHBondContact O-CB 3.16Å; I96-Q100 VanDerWaalsContact O-CG 3.27Å; I96-Q100 WeakPolarHBondContact O-CG 3.34Å; I96-Q100 PolarHBondContact O-N 2.94Å; K97-Q100 PolarHBondContact O-N 3.29Å; C98-Q100 VanDerWaalsContact C-N 3.32Å; C98-Q100 PolarHBondContact O-N 3.04Å; Q100-C102 VanDerWaalsContact C-N 3.34Å; Q100-L103 PolarHBondContact O-N 2.98Å |
| 101 | S | 88.2 | Confident | 83.5 | Confident | 94 Ų | 94 | 86.6 Ų | 86.6 | 66% | 0.657 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -74.2 | -21.7 | 177.3 | 69.3 | 0 | 0 | 0 | 0 | 114.4 | K97 C98 L99 | K97-S101 PolarHBondContact O-N 3.3Å; C98-S101 PolarHBondContact O-N 3.45Å; C98-S101 VanDerWaalsContact O-N 3.08Å; C98-S101 PolarHBondContact O-OG 3.19Å; L99-S101 VanDerWaalsContact C-N 3.28Å; L99-S101 PolarHBondContact O-N 2.9Å |
| 102 | C | 89.5 | Confident | 81.7 | Confident | 99 Ų | 99 | 89.9 Ų | 89.9 | 67% | 0.669 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -88.8 | -12.1 | 176.8 | -62.3 | 0 | 0 | 0 | 0 | 113.1 | C98 L99 Q100 | C98-C102 PolarHBondContact O-N 2.86Å; C98-C102 VanDerWaalsContact O-N 3.15Å; C98-C102 PolarHBondContact O-SG 2.05Å; C98-C102 VanDerWaalsContact O-SG 3.37Å; L99-C102 PolarHBondContact O-N 3.46Å; L99-C102 VanDerWaalsContact O-N 3.12Å; Q100-C102 VanDerWaalsContact C-N 3.34Å |
| 103 | L | 89.1 | Confident | 79.6 | Confident | 75 Ų | 75 | 94.4 Ų | 94.4 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -80.7 | 143 | 177 | -70.1 | 172.7 | 0 | 0 | 0 | 110.3 | L99 Q100 A107 L111 | L99-L103 WeakPolarHBondContact O-CG 3.39Å; L99-L103 PolarHBondContact O-N 3.21Å; Q100-L103 PolarHBondContact O-N 2.98Å; L103-A107 HydrophobicContact CB-CB 4.29Å; L103-L111 HydrophobicContact CD1-CD1 3.67Å |
| 104 | P | 82 | Confident | 77.7 | Confident | 86 Ų | 86 | 94.9 Ų | 94.9 | 56% | 0.558 | 54% | 0.537 | S | S | * | . | trans | -54.3 | 147.7 | 171.8 | -22.3 | 32.1 | 0 | 0 | 0 | 111.2 | E106 A107 S108 | P104-E106 PolarHBondContact O-N 3.44Å; P104-E106 VanDerWaalsContact O-N 3.08Å; P104-A107 WeakPolarHBondContact O-CA 3.45Å; P104-A107 WeakPolarHBondContact O-CB 3.3Å; P104-A107 PolarHBondContact O-N 2.87Å; P104-S108 PolarHBondContact O-N 3.48Å; P104-S108 VanDerWaalsContact O-N 3.16Å | ||
| 105 | E | 72 | Confident | 75.8 | Confident | 155 Ų | 155 | 98.7 Ų | 98.7 | 72% | 0.724 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -52.7 | -35 | -177.3 | -164.5 | 175.2 | 176.7 | 0 | 0 | 112.5 | A107 S108 A109 | E105-A107 PolarHBondContact O-N 3.34Å; E105-S108 PolarHBondContact O-N 2.99Å; E105-S108 PolarHBondContact O-OG 3.2Å; E105-A109 PolarHBondContact O-N 3.46Å; E105-A109 VanDerWaalsContact O-N 3.09Å |
| 106 | E | 67.7 | Low | 73.7 | Confident | 152 Ų | 152 | 101 Ų | 101 | 71% | 0.71 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.7 | -32.1 | 176.3 | -31.4 | -56.6 | 160.8 | 0 | 0 | 113.4 | P104 | P104-E106 PolarHBondContact O-N 3.44Å; P104-E106 VanDerWaalsContact O-N 3.08Å |
| 107 | A | 68.2 | Low | 71.4 | Confident | 37 Ų | 37 | 100.2 Ų | 100.2 | 31% | 0.306 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -91.5 | -29.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L103 P104 E105 L111 | L103-A107 HydrophobicContact CB-CB 4.29Å; P104-A107 WeakPolarHBondContact O-CA 3.45Å; P104-A107 WeakPolarHBondContact O-CB 3.3Å; P104-A107 PolarHBondContact O-N 2.87Å; E105-A107 PolarHBondContact O-N 3.34Å; A107-L111 WeakPolarHBondContact O-CD1 3.43Å; A107-L111 WeakPolarHBondContact O-CG 3.35Å |
| 108 | S | 61.4 | Low | 69.3 | Low | 38 Ų | 38 | 100.4 Ų | 100.4 | 27% | 0.266 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -73.4 | -34.8 | 177.5 | 69.6 | 0 | 0 | 0 | 0 | 111.9 | P104 E105 Q110 L111 S112 | P104-S108 PolarHBondContact O-N 3.48Å; P104-S108 VanDerWaalsContact O-N 3.16Å; E105-S108 PolarHBondContact O-N 2.99Å; E105-S108 PolarHBondContact O-OG 3.2Å; S108-Q110 VanDerWaalsContact C-N 3.26Å; S108-Q110 PolarHBondContact O-N 2.93Å; S108-L111 PolarHBondContact O-N 3.45Å; S108-S112 PolarHBondContact O-N 3.27Å; S108-S112 PolarHBondContact O-OG 2.92Å |
| 109 | A | 63.6 | Low | 67.2 | Low | 63 Ų | 63 | 102.9 Ų | 102.9 | 52% | 0.521 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.4 | -32.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E105 L111 S112 | E105-A109 PolarHBondContact O-N 3.46Å; E105-A109 VanDerWaalsContact O-N 3.09Å; A109-L111 VanDerWaalsContact C-N 3.33Å; A109-S112 PolarHBondContact O-OG 2.88Å |
| 110 | Q | 64.6 | Low | 65 | Low | 173 Ų | 173 | 104.6 Ų | 104.6 | 81% | 0.808 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -18.8 | 176.1 | -60.8 | -171.9 | 27.7 | 0 | 0 | 113.2 | S108 | S108-Q110 VanDerWaalsContact C-N 3.26Å; S108-Q110 PolarHBondContact O-N 2.93Å |
| 111 | L | 64.7 | Low | 63 | Low | 100 Ų | 100 | 108 Ų | 108 | 52% | 0.524 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93 | -10.9 | -178.6 | -65.9 | 165.1 | 0 | 0 | 0 | 112.8 | L103 A107 S108 A109 | L103-L111 HydrophobicContact CD1-CD1 3.67Å; A107-L111 WeakPolarHBondContact O-CD1 3.43Å; A107-L111 WeakPolarHBondContact O-CG 3.35Å; S108-L111 PolarHBondContact O-N 3.45Å; A109-L111 VanDerWaalsContact C-N 3.33Å |
| 112 | S | 57.6 | Low | 61 | Low | 71 Ų | 71 | 108.4 Ų | 108.4 | 50% | 0.497 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103 | 106.1 | 173.8 | 47.8 | 0 | 0 | 0 | 0 | 109.5 | S108 A109 | S108-S112 PolarHBondContact O-N 3.27Å; S108-S112 PolarHBondContact O-OG 2.92Å; A109-S112 PolarHBondContact O-OG 2.88Å |
| 113 | P | 53.6 | Low | 59 | Low | 108 Ų | 108 | 107.2 Ų | 107.2 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | -158.9 | 79.2 | 59.1 | 38.6 | -13.1 | 0 | 0 | 0 | 114.1 | |||
| 114 | A | 56.4 | Low | 57.1 | Low | 98 Ų | 98 | 110.9 Ų | 110.9 | 81% | 0.81 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -99.7 | -18.5 | 170 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 115 | F | 55.6 | Low | 55.3 | Low | 188 Ų | 188 | 113.1 Ų | 113.1 | 83% | 0.825 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -100.9 | -16.6 | -170.8 | -165.2 | -103.3 | 0 | 0 | 0 | 114.5 | ||
| 116 | N | 51.8 | Low | 54.4 | Low | 133 Ų | 133 | 114.6 Ų | 114.6 | 71% | 0.711 | 64% | 0.637 | S | S | * | * | trans | -92.7 | -1.8 | -179.8 | -67.2 | -12.6 | 0 | 0 | 0 | 113.5 | T118 | N116-T118 PolarHBondContact O-N 2.9Å; N116-T118 PolarHBondContact O-OG1 3.01Å | ||
| 117 | S | 46.2 | Very low | 54 | Low | 79 Ų | 79 | 112.4 Ų | 112.4 | 55% | 0.552 | 64% | 0.638 | S | S | * | * | trans | -72.7 | 87 | 167.5 | -80.8 | 0 | 0 | 0 | 0 | 109.2 | N119 | S117-N119 PolarHBondContact O-N 3.42Š| ||
| 118 | T | 48.8 | Very low | 53.5 | Low | 138 Ų | 138 | 116 Ų | 116 | 85% | 0.847 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 28.8 | 156.9 | -37.9 | 0 | 0 | 0 | 0 | 111.9 | N116 | N116-T118 PolarHBondContact O-N 2.9Å; N116-T118 PolarHBondContact O-OG1 3.01Å |
| 119 | N | 48 | Very low | 53.5 | Low | 118 Ų | 118 | 117.8 Ų | 117.8 | 63% | 0.631 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | 6.6 | -173.8 | -125.7 | 1.2 | 0 | 0 | 0 | 113.3 | S117 L121 | S117-N119 PolarHBondContact O-N 3.42Å; N119-L121 PolarHBondContact O-N 3.45Å |
| 120 | C | 46.3 | Very low | 53.6 | Low | 113 Ų | 113 | 118.7 Ų | 118.7 | 76% | 0.764 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 4.2 | 172.8 | 60.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 121 | L | 48.3 | Very low | 53.7 | Low | 151 Ų | 151 | 116.3 Ų | 116.3 | 79% | 0.791 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | 4.6 | 178 | -65.6 | 177.5 | 0 | 0 | 0 | 114.1 | N119 V123 | N119-L121 PolarHBondContact O-N 3.45Å; L121-V123 VanDerWaalsContact C-N 3.26Å; L121-V123 PolarHBondContact O-N 3.14Å |
| 122 | N | 45.1 | Very low | 53.9 | Low | 101 Ų | 101 | 119.4 Ų | 119.4 | 54% | 0.54 | 66% | 0.662 | S | S | . | * | trans | -83.9 | 71.9 | 176.6 | -136.4 | 47.3 | 0 | 0 | 0 | 111.5 | E124 | N122-E124 PolarHBondContact ND2-OE2 3.38Å; N122-E124 PolarHBondContact O-N 3Å | ||
| 123 | V | 49.1 | Very low | 54.5 | Low | 74 Ų | 74 | 121.9 Ų | 121.9 | 45% | 0.448 | 66% | 0.664 | S | S | . | * | trans | -76.7 | 67.4 | 167.9 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | L121 R126 | L121-V123 VanDerWaalsContact C-N 3.26Å; L121-V123 PolarHBondContact O-N 3.14Å; V123-R126 PolarHBondContact O-NE 2.97Å | ||
| 124 | E | 48.6 | Very low | 55.2 | Low | 152 Ų | 152 | 119.1 Ų | 119.1 | 71% | 0.71 | 65% | 0.651 | S | S | * | * | trans | -105.8 | 3.4 | 173.3 | -78.9 | -172.6 | 137.3 | 0 | 0 | 113.5 | N122 R126 | N122-E124 PolarHBondContact ND2-OE2 3.38Å; N122-E124 PolarHBondContact O-N 3Å; E124-R126 PolarHBondContact O-N 3.4Å | ||
| 125 | N | 44.5 | Very low | 55.9 | Low | 134 Ų | 134 | 117.2 Ų | 117.2 | 72% | 0.717 | 63% | 0.629 | S | S | * | * | trans | -99.4 | 66.8 | 161.8 | -116.5 | -43.6 | 0 | 0 | 0 | 110.4 | S127 | N125-S127 PolarHBondContact O-N 3.48Š| ||
| 126 | R | 53.2 | Low | 56.6 | Low | 185 Ų | 185 | 114.7 Ų | 114.7 | 70% | 0.698 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -13.5 | -171.9 | -77.3 | -84.9 | 172.4 | -169.8 | -0.6 | 114.9 | V123 E124 | V123-R126 PolarHBondContact O-NE 2.97Å; E124-R126 PolarHBondContact O-N 3.4Å |
| 127 | S | 58.9 | Low | 56.8 | Low | 106 Ų | 106 | 114.8 Ų | 114.8 | 74% | 0.741 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -28.7 | -170.8 | -52.9 | 0 | 0 | 0 | 0 | 114.6 | N125 | N125-S127 PolarHBondContact O-N 3.48Š|
| 128 | D | 57.3 | Low | 57.5 | Low | 113 Ų | 113 | 119.3 Ų | 119.3 | 60% | 0.604 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -94.1 | -28.5 | -174.5 | -154.6 | 6.8 | 0 | 0 | 0 | 113 | S130 H131 Y132 | D128-S130 VanDerWaalsContact C-N 3.28Å; D128-S130 PolarHBondContact O-N 2.94Å; D128-H131 PolarHBondContact O-N 3.41Å; D128-Y132 PolarHBondContact O-N 3.44Å |
| 129 | S | 62 | Low | 58 | Low | 76 Ų | 76 | 120.5 Ų | 120.5 | 53% | 0.531 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.6 | -31.1 | 177 | -163.6 | 0 | 0 | 0 | 0 | 112.7 | F133 | S129-F133 WeakPolarHBondContact O-CB 3.49Å; S129-F133 PolarHBondContact O-N 2.89Å |
| 130 | S | 64.4 | Low | 58.1 | Low | 81 Ų | 81 | 119.8 Ų | 119.8 | 57% | 0.566 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.5 | -37.1 | 175.4 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | D128 A134 | D128-S130 VanDerWaalsContact C-N 3.28Å; D128-S130 PolarHBondContact O-N 2.94Å; S130-A134 VanDerWaalsContact O-CB 3.26Å; S130-A134 WeakPolarHBondContact O-CB 3.18Å; S130-A134 PolarHBondContact O-N 3.5Å |
| 131 | H | 68.2 | Low | 58.5 | Low | 124 Ų | 124 | 119.6 Ų | 119.6 | 57% | 0.574 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.2 | -43.3 | 176.7 | -173.3 | -108.2 | 0 | 0 | 0 | 111.4 | D128 F133 A134 V135 | D128-H131 PolarHBondContact O-N 3.41Å; H131-F133 VanDerWaalsContact C-N 3.34Å; H131-F133 PolarHBondContact O-N 3.22Å; H131-A134 PolarHBondContact O-N 2.98Å; H131-V135 WeakPolarHBondContact O-CB 3.48Å; H131-V135 VanDerWaalsContact O-CG2 3.27Å; H131-V135 WeakPolarHBondContact O-CG2 3.38Å; H131-V135 PolarHBondContact O-N 2.96Å |
| 132 | Y | 68.9 | Low | 58.5 | Low | 164 Ų | 164 | 117.8 Ų | 117.8 | 64% | 0.643 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.1 | -43.2 | 173.2 | -174.9 | -99.1 | 0 | 0 | 0 | 112 | D128 Y136 | D128-Y132 PolarHBondContact O-N 3.44Å; Y132-Y136 VanDerWaalsContact O-CB 3.26Å; Y132-Y136 WeakPolarHBondContact O-CB 3.47Å; Y132-Y136 PolarHBondContact O-N 3.31Å |
| 133 | F | 69.4 | Low | 58.7 | Low | 123 Ų | 123 | 117.8 Ų | 117.8 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.1 | -53.7 | 172.6 | -169.2 | -88.1 | 0 | 0 | 0 | 109.9 | S129 H131 V135 Y136 Y137 | S129-F133 WeakPolarHBondContact O-CB 3.49Å; S129-F133 PolarHBondContact O-N 2.89Å; H131-F133 VanDerWaalsContact C-N 3.34Å; H131-F133 PolarHBondContact O-N 3.22Å; F133-V135 PolarHBondContact O-N 3.48Å; F133-Y136 PolarHBondContact O-N 2.97Å; F133-Y136 VanDerWaalsContact O-N 3.14Å; F133-Y137 AromaticContact CD1-CD2 3.43Å; F133-Y137 HydrophobicContact CD1-CD2 3.43Å; F133-Y137 VanDerWaalsContact CD1-CD2 3.43Å; F133-Y137 AromaticContact CD1-CE2 3.61Å; F133-Y137 HydrophobicContact CD1-CE2 3.61Å; F133-Y137 HydrophobicContact CD2-CD2 4.01Å; F133-Y137 AromaticContact CD2-CE2 3.33Å; F133-Y137 HydrophobicContact CD2-CE2 3.33Å; F133-Y137 AromaticContact CE1-CD2 3.36Å; F133-Y137 HydrophobicContact CE1-CD2 3.36Å; F133-Y137 AromaticContact CE1-CE2 3.38Å; F133-Y137 HydrophobicContact CE1-CE2 3.38Å; F133-Y137 HydrophobicContact CE1-CG 4.32Å; F133-Y137 AromaticContact CE2-CD2 3.96Å; F133-Y137 HydrophobicContact CE2-CD2 3.96Å; F133-Y137 AromaticContact CE2-CE2 3.08Å; F133-Y137 HydrophobicContact CE2-CE2 3.08Å; F133-Y137 AromaticContact CE2-CZ 3.63Å; F133-Y137 WeakPolarHBondContact CE2-OH 3.38Å; F133-Y137 AromaticContact CG-CD2 3.75Å; F133-Y137 HydrophobicContact CG-CD2 3.75Å; F133-Y137 AromaticContact CG-CE2 3.58Å; F133-Y137 HydrophobicContact CG-CE2 3.58Å; F133-Y137 AromaticContact CZ-CD2 3.63Å; F133-Y137 HydrophobicContact CZ-CD2 3.63Å; F133-Y137 AromaticContact CZ-CE2 3.1Å; F133-Y137 HydrophobicContact CZ-CE2 3.1Å; F133-Y137 AromaticContact CZ-CZ 3.57Å; F133-Y137 WeakPolarHBondContact O-CD2 3.44Å; F133-Y137 PolarHBondContact O-N 3.04Å |
| 134 | A | 67.7 | Low | 58.9 | Low | 51 Ų | 51 | 121.4 Ų | 121.4 | 42% | 0.421 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -56.3 | -45.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S130 H131 Y137 K138 | S130-A134 VanDerWaalsContact O-CB 3.26Å; S130-A134 WeakPolarHBondContact O-CB 3.18Å; S130-A134 PolarHBondContact O-N 3.5Å; H131-A134 PolarHBondContact O-N 2.98Å; A134-Y137 PolarHBondContact O-N 2.89Å; A134-K138 WeakPolarHBondContact O-CB 3.48Å; A134-K138 PolarHBondContact O-N 2.98Å |
| 135 | V | 71 | Confident | 58.8 | Low | 57 Ų | 57 | 121.6 Ų | 121.6 | 35% | 0.345 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.5 | -43.4 | 177.7 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | H131 F133 Y137 K138 Q139 | H131-V135 WeakPolarHBondContact O-CB 3.48Å; H131-V135 VanDerWaalsContact O-CG2 3.27Å; H131-V135 WeakPolarHBondContact O-CG2 3.38Å; H131-V135 PolarHBondContact O-N 2.96Å; F133-V135 PolarHBondContact O-N 3.48Å; V135-Y137 VanDerWaalsContact C-N 3.35Å; V135-Y137 PolarHBondContact O-N 3.39Å; V135-K138 PolarHBondContact O-N 3.43Å; V135-Q139 PolarHBondContact O-N 3.05Å |
| 136 | Y | 70.1 | Confident | 59 | Low | 135 Ų | 135 | 121.3 Ų | 121.3 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.5 | -38.2 | 179.1 | -166.2 | -94 | 0 | 0 | 0 | 112.6 | Y132 F133 | Y132-Y136 VanDerWaalsContact O-CB 3.26Å; Y132-Y136 WeakPolarHBondContact O-CB 3.47Å; Y132-Y136 PolarHBondContact O-N 3.31Å; F133-Y136 PolarHBondContact O-N 2.97Å; F133-Y136 VanDerWaalsContact O-N 3.14Å |
| 137 | Y | 57.6 | Low | 59.1 | Low | 136 Ų | 136 | 117.3 Ų | 117.3 | 53% | 0.533 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -81.8 | -18.3 | 176.7 | -69.9 | -78.1 | 0 | 0 | 0 | 113.8 | F133 A134 V135 | F133-Y137 AromaticContact CD1-CD2 3.43Å; F133-Y137 HydrophobicContact CD1-CD2 3.43Å; F133-Y137 VanDerWaalsContact CD1-CD2 3.43Å; F133-Y137 AromaticContact CD1-CE2 3.61Å; F133-Y137 HydrophobicContact CD1-CE2 3.61Å; F133-Y137 HydrophobicContact CD2-CD2 4.01Å; F133-Y137 AromaticContact CD2-CE2 3.33Å; F133-Y137 HydrophobicContact CD2-CE2 3.33Å; F133-Y137 AromaticContact CE1-CD2 3.36Å; F133-Y137 HydrophobicContact CE1-CD2 3.36Å; F133-Y137 AromaticContact CE1-CE2 3.38Å; F133-Y137 HydrophobicContact CE1-CE2 3.38Å; F133-Y137 HydrophobicContact CE1-CG 4.32Å; F133-Y137 AromaticContact CE2-CD2 3.96Å; F133-Y137 HydrophobicContact CE2-CD2 3.96Å; F133-Y137 AromaticContact CE2-CE2 3.08Å; F133-Y137 HydrophobicContact CE2-CE2 3.08Å; F133-Y137 AromaticContact CE2-CZ 3.63Å; F133-Y137 WeakPolarHBondContact CE2-OH 3.38Å; F133-Y137 AromaticContact CG-CD2 3.75Å; F133-Y137 HydrophobicContact CG-CD2 3.75Å; F133-Y137 AromaticContact CG-CE2 3.58Å; F133-Y137 HydrophobicContact CG-CE2 3.58Å; F133-Y137 AromaticContact CZ-CD2 3.63Å; F133-Y137 HydrophobicContact CZ-CD2 3.63Å; F133-Y137 AromaticContact CZ-CE2 3.1Å; F133-Y137 HydrophobicContact CZ-CE2 3.1Å; F133-Y137 AromaticContact CZ-CZ 3.57Å; F133-Y137 WeakPolarHBondContact O-CD2 3.44Å; F133-Y137 PolarHBondContact O-N 3.04Å; A134-Y137 PolarHBondContact O-N 2.89Å; V135-Y137 VanDerWaalsContact C-N 3.35Å; V135-Y137 PolarHBondContact O-N 3.39Å |
| 138 | K | 59.3 | Low | 58.9 | Low | 174 Ų | 174 | 113.9 Ų | 113.9 | 76% | 0.757 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -81.2 | -25.5 | 178.8 | -137.7 | -179.3 | -177.4 | -170.4 | 0 | 113.8 | A134 V135 Q140 | A134-K138 WeakPolarHBondContact O-CB 3.48Å; A134-K138 PolarHBondContact O-N 2.98Å; V135-K138 PolarHBondContact O-N 3.43Å; K138-Q140 VanDerWaalsContact C-N 3.34Å |
| 139 | Q | 59.9 | Low | 58.2 | Low | 162 Ų | 162 | 112.1 Ų | 112.1 | 76% | 0.757 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -82.5 | -6.4 | 178.5 | -86.4 | 169.3 | 3.3 | 0 | 0 | 114.3 | V135 | V135-Q139 PolarHBondContact O-N 3.05Š|
| 140 | Q | 51.4 | Low | 57.8 | Low | 103 Ų | 103 | 112.7 Ų | 112.7 | 48% | 0.481 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -73.9 | 134.3 | 169.2 | -67.9 | -81.7 | -13.7 | 0 | 0 | 109 | K138 T142 | K138-Q140 VanDerWaalsContact C-N 3.34Å; Q140-T142 PolarHBondContact O-N 2.88Å |
| 141 | P | 53.5 | Low | 57.3 | Low | 109 Ų | 109 | 113 Ų | 113 | 71% | 0.708 | 57% | 0.57 | S | S | * | * | trans | -53.4 | 111.7 | 175.4 | 18.5 | -28.5 | 0 | 0 | 0 | 109.7 | S143 | P141-S143 VanDerWaalsContact C-N 3.29Å; P141-S143 PolarHBondContact O-N 3.26Å | ||
| 142 | T | 48.2 | Very low | 56.7 | Low | 114 Ų | 114 | 111.4 Ų | 111.4 | 70% | 0.699 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -72.1 | 80 | -176.6 | 54 | 0 | 0 | 0 | 0 | 109.4 | Q140 | Q140-T142 PolarHBondContact O-N 2.88Š|
| 143 | S | 50.3 | Low | 56.1 | Low | 101 Ų | 101 | 109.6 Ų | 109.6 | 71% | 0.706 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -145.8 | 17.5 | 177.2 | 94 | 0 | 0 | 0 | 0 | 116.3 | P141 | P141-S143 VanDerWaalsContact C-N 3.29Å; P141-S143 PolarHBondContact O-N 3.26Å |
| 144 | Y | 52.2 | Low | 55.6 | Low | 149 Ų | 149 | 109.5 Ų | 109.5 | 58% | 0.584 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -149 | -30.4 | 179 | -152 | -102 | 0 | 0 | 0 | 116.4 | A148 | Y144-A148 VanDerWaalsContact O-CB 3.3Å; Y144-A148 WeakPolarHBondContact O-CB 3.5Å; Y144-A148 PolarHBondContact O-N 3.45Å |
| 145 | W | 46.1 | Very low | 55.3 | Low | 157 Ų | 157 | 109.6 Ų | 109.6 | 60% | 0.595 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -83.2 | -34.7 | -172.7 | -57.1 | 106.3 | 0 | 0 | 0 | 114.1 | T147 A148 C149 | W145-T147 PolarHBondContact O-N 3.44Å; W145-A148 PolarHBondContact O-N 3.46Å; W145-C149 WeakPolarHBondContact O-CB 3.31Å; W145-C149 PolarHBondContact O-N 3.42Å; W145-C149 PolarHBondContact O-SG 3.37Å |
| 146 | N | 49.2 | Very low | 54.7 | Low | 128 Ų | 128 | 112 Ų | 112 | 68% | 0.684 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.4 | -36.8 | -179.9 | -75.3 | -37.3 | 0 | 0 | 0 | 113 | ||
| 147 | T | 56.4 | Low | 54.8 | Low | 101 Ų | 101 | 114.3 Ų | 114.3 | 62% | 0.62 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -83.1 | -24.1 | 178.3 | -33.1 | 0 | 0 | 0 | 0 | 112.7 | W145 T150 | W145-T147 PolarHBondContact O-N 3.44Å; T147-T150 PolarHBondContact O-OG1 2.85Å |
| 148 | A | 53.3 | Low | 55.5 | Low | 34 Ų | 34 | 112 Ų | 112 | 28% | 0.281 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -80.1 | -30 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y144 W145 T150 L151 N152 | Y144-A148 VanDerWaalsContact O-CB 3.3Å; Y144-A148 WeakPolarHBondContact O-CB 3.5Å; Y144-A148 PolarHBondContact O-N 3.45Å; W145-A148 PolarHBondContact O-N 3.46Å; A148-T150 VanDerWaalsContact C-N 3.32Å; A148-T150 PolarHBondContact O-N 3.05Å; A148-L151 PolarHBondContact O-N 3.15Å; A148-N152 PolarHBondContact O-N 3.11Å |
| 149 | C | 43.7 | Very low | 55.8 | Low | 76 Ų | 76 | 111 Ų | 111 | 51% | 0.514 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.2 | -32.1 | 176.2 | -72.7 | 0 | 0 | 0 | 0 | 112.5 | W145 N152 L153 | W145-C149 WeakPolarHBondContact O-CB 3.31Å; W145-C149 PolarHBondContact O-N 3.42Å; W145-C149 PolarHBondContact O-SG 3.37Å; C149-N152 PolarHBondContact O-N 3.44Å; C149-L153 PolarHBondContact O-N 3.14Å |
| 150 | T | 53.1 | Low | 56.2 | Low | 88 Ų | 88 | 108.4 Ų | 108.4 | 54% | 0.54 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.6 | -34.5 | 175.9 | 56 | 0 | 0 | 0 | 0 | 112.6 | T147 A148 L153 H154 | T147-T150 PolarHBondContact O-OG1 2.85Å; A148-T150 VanDerWaalsContact C-N 3.32Å; A148-T150 PolarHBondContact O-N 3.05Å; T150-L153 PolarHBondContact O-N 3.36Å; T150-H154 PolarHBondContact O-N 2.84Å; T150-H154 VanDerWaalsContact O-N 3.11Å |
| 151 | L | 53.5 | Low | 57.2 | Low | 88 Ų | 88 | 109.4 Ų | 109.4 | 46% | 0.461 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.8 | -33.5 | 172.3 | -75.9 | 161.2 | 0 | 0 | 0 | 112.4 | L44 A148 H154 S155 | L44-L151 HydrophobicContact CD1-CD2 4.29Å; L44-L151 HydrophobicContact CD2-CD1 3.77Å; A148-L151 PolarHBondContact O-N 3.15Å; L151-H154 PolarHBondContact O-N 3.34Å; L151-S155 PolarHBondContact O-N 3.39Å |
| 152 | N | 55.4 | Low | 58.2 | Low | 90 Ų | 90 | 108.8 Ų | 108.8 | 48% | 0.481 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -73.4 | -32.8 | 175.1 | -134.7 | -15.4 | 0 | 0 | 0 | 112 | A148 C149 H154 S155 L156 | A148-N152 PolarHBondContact O-N 3.11Å; C149-N152 PolarHBondContact O-N 3.44Å; N152-H154 VanDerWaalsContact C-N 3.34Å; N152-S155 PolarHBondContact O-N 3.06Å; N152-L156 PolarHBondContact O-N 3.29Å |
| 153 | L | 57 | Low | 59.5 | Low | 125 Ų | 125 | 107.9 Ų | 107.9 | 65% | 0.654 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.7 | -38.1 | 170.2 | -128.7 | 76.3 | 0 | 0 | 0 | 111.7 | C149 T150 L156 R157 | C149-L153 PolarHBondContact O-N 3.14Å; T150-L153 PolarHBondContact O-N 3.36Å; L153-L156 PolarHBondContact O-N 2.96Å; L153-R157 VanDerWaalsContact O-CB 3.25Å; L153-R157 WeakPolarHBondContact O-CB 3.25Å; L153-R157 PolarHBondContact O-N 2.91Å |
| 154 | H | 59.6 | Low | 60.8 | Low | 122 Ų | 122 | 107.3 Ų | 107.3 | 57% | 0.565 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.3 | -39.7 | 174.8 | -138 | 113.2 | 0 | 0 | 0 | 111.3 | T150 L151 N152 R157 I158 | T150-H154 PolarHBondContact O-N 2.84Å; T150-H154 VanDerWaalsContact O-N 3.11Å; L151-H154 PolarHBondContact O-N 3.34Å; N152-H154 VanDerWaalsContact C-N 3.34Å; H154-R157 PolarHBondContact O-N 2.93Å; H154-I158 VanDerWaalsContact O-CG1 3.24Å; H154-I158 WeakPolarHBondContact O-CG1 3.24Å; H154-I158 PolarHBondContact O-N 3.02Å |
| 155 | S | 61.3 | Low | 62.1 | Low | 52 Ų | 52 | 105.9 Ų | 105.9 | 36% | 0.364 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 173.3 | -165 | 0 | 0 | 0 | 0 | 112.2 | L151 N152 R157 I158 Y159 | L151-S155 PolarHBondContact O-N 3.39Å; N152-S155 PolarHBondContact O-N 3.06Å; S155-R157 VanDerWaalsContact C-N 3.34Å; S155-I158 PolarHBondContact O-N 3.39Å; S155-Y159 WeakPolarHBondContact O-CD2 3.28Å; S155-Y159 PolarHBondContact O-N 3.02Å |
| 156 | L | 57.6 | Low | 63.7 | Low | 108 Ų | 108 | 104.9 Ų | 104.9 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68 | -35.6 | 176.1 | -150.9 | 78.7 | 0 | 0 | 0 | 111.6 | N152 L153 Y159 L160 | N152-L156 PolarHBondContact O-N 3.29Å; L153-L156 PolarHBondContact O-N 2.96Å; L156-Y159 PolarHBondContact O-N 3.34Å; L156-L160 WeakPolarHBondContact O-CB 3.39Å; L156-L160 WeakPolarHBondContact O-CG 3.35Å; L156-L160 PolarHBondContact O-N 3.36Å |
| 157 | R | 71.4 | Confident | 65.1 | Low | 183 Ų | 183 | 102.6 Ų | 102.6 | 69% | 0.691 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.9 | -37.7 | 175 | -159.6 | 175.9 | -169.9 | 145.8 | 1.8 | 111.8 | L153 H154 S155 Q161 | L153-R157 VanDerWaalsContact O-CB 3.25Å; L153-R157 WeakPolarHBondContact O-CB 3.25Å; L153-R157 PolarHBondContact O-N 2.91Å; H154-R157 PolarHBondContact O-N 2.93Å; S155-R157 VanDerWaalsContact C-N 3.34Å; R157-Q161 WeakPolarHBondContact O-CB 3.39Å; R157-Q161 PolarHBondContact O-N 2.9Å |
| 158 | I | 73 | Confident | 66.1 | Low | 89 Ų | 89 | 99.7 Ų | 99.7 | 46% | 0.456 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 172.6 | -68.9 | 164.8 | 0 | 0 | 0 | 110.7 | H154 S155 Q161 I162 | H154-I158 VanDerWaalsContact O-CG1 3.24Å; H154-I158 WeakPolarHBondContact O-CG1 3.24Å; H154-I158 PolarHBondContact O-N 3.02Å; S155-I158 PolarHBondContact O-N 3.39Å; I158-Q161 PolarHBondContact O-N 2.92Å; I158-I162 HydrophobicContact CG2-CD1 3.72Å; I158-I162 HydrophobicContact CG2-CG1 4.36Å; I158-I162 VanDerWaalsContact O-CG1 3.28Å; I158-I162 WeakPolarHBondContact O-CG1 3.5Å; I158-I162 PolarHBondContact O-N 3.25Å |
| 159 | Y | 66.8 | Low | 67.3 | Low | 152 Ų | 152 | 105 Ų | 105 | 60% | 0.596 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.4 | -45.8 | 175.9 | -95 | -83.4 | 0 | 0 | 0 | 112.1 | S155 L156 Q161 I162 D163 | S155-Y159 WeakPolarHBondContact O-CD2 3.28Å; S155-Y159 PolarHBondContact O-N 3.02Å; L156-Y159 PolarHBondContact O-N 3.34Å; Y159-Q161 VanDerWaalsContact C-N 3.33Å; Y159-Q161 PolarHBondContact O-N 2.94Å; Y159-I162 PolarHBondContact O-N 3.26Å; Y159-D163 PolarHBondContact O-N 3.42Å |
| 160 | L | 66.8 | Low | 68.9 | Low | 107 Ų | 107 | 105.1 Ų | 105.1 | 56% | 0.56 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.1 | -36.5 | 175.9 | -74.3 | 164.8 | 0 | 0 | 0 | 112.7 | L156 T164 | L156-L160 WeakPolarHBondContact O-CB 3.39Å; L156-L160 WeakPolarHBondContact O-CG 3.35Å; L156-L160 PolarHBondContact O-N 3.36Å; L160-T164 WeakPolarHBondContact O-CB 3.41Å; L160-T164 PolarHBondContact O-N 2.97Å; L160-T164 PolarHBondContact O-OG1 3.3Å |
| 161 | Q | 72.4 | Confident | 69.8 | Low | 124 Ų | 124 | 109.8 Ų | 109.8 | 58% | 0.579 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.8 | -41.5 | 175.9 | -160.9 | 90.9 | -25.1 | 0 | 0 | 111.4 | R157 I158 Y159 T164 L165 | R157-Q161 WeakPolarHBondContact O-CB 3.39Å; R157-Q161 PolarHBondContact O-N 2.9Å; I158-Q161 PolarHBondContact O-N 2.92Å; Y159-Q161 VanDerWaalsContact C-N 3.33Å; Y159-Q161 PolarHBondContact O-N 2.94Å; Q161-T164 PolarHBondContact O-N 3Å; Q161-L165 VanDerWaalsContact O-CG 3.31Å; Q161-L165 WeakPolarHBondContact O-CG 3.41Å; Q161-L165 PolarHBondContact O-N 2.7Å |
| 162 | I | 75.9 | Confident | 70.8 | Confident | 96 Ų | 96 | 110.6 Ų | 110.6 | 49% | 0.492 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 177.4 | -67.9 | 167.2 | 0 | 0 | 0 | 110.7 | I158 Y159 T164 L165 F166 | I158-I162 HydrophobicContact CG2-CD1 3.72Å; I158-I162 HydrophobicContact CG2-CG1 4.36Å; I158-I162 VanDerWaalsContact O-CG1 3.28Å; I158-I162 WeakPolarHBondContact O-CG1 3.5Å; I158-I162 PolarHBondContact O-N 3.25Å; Y159-I162 PolarHBondContact O-N 3.26Å; I162-T164 VanDerWaalsContact C-N 3.31Å; I162-T164 PolarHBondContact O-N 2.86Å; I162-L165 PolarHBondContact O-N 2.87Å; I162-F166 WeakPolarHBondContact O-CB 3.31Å; I162-F166 PolarHBondContact O-N 2.93Å |
| 163 | D | 74.6 | Confident | 71.4 | Confident | 95 Ų | 95 | 112.6 Ų | 112.6 | 51% | 0.508 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 176.3 | -81.4 | -35.2 | 0 | 0 | 0 | 111 | Y159 L165 F166 T167 | Y159-D163 PolarHBondContact O-N 3.42Å; D163-L165 PolarHBondContact O-N 3.41Å; D163-F166 PolarHBondContact O-N 3.03Å; D163-T167 WeakPolarHBondContact O-CB 3.46Å; D163-T167 PolarHBondContact O-N 3.43Å; D163-T167 PolarHBondContact O-OG1 3.41Å |
| 164 | T | 78.3 | Confident | 71.9 | Confident | 90 Ų | 90 | 111.4 Ų | 111.4 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.2 | -43 | 176.7 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | L160 Q161 I162 A168 | L160-T164 WeakPolarHBondContact O-CB 3.41Å; L160-T164 PolarHBondContact O-N 2.97Å; L160-T164 PolarHBondContact O-OG1 3.3Å; Q161-T164 PolarHBondContact O-N 3Å; I162-T164 VanDerWaalsContact C-N 3.31Å; I162-T164 PolarHBondContact O-N 2.86Å; T164-A168 WeakPolarHBondContact O-CB 3.35Å; T164-A168 PolarHBondContact O-N 3.46Å |
| 165 | L | 77.9 | Confident | 72.1 | Confident | 118 Ų | 118 | 114.5 Ų | 114.5 | 62% | 0.618 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.2 | -37.6 | 177.1 | -70.3 | 176.4 | 0 | 0 | 0 | 112.3 | Q161 I162 D163 A168 Y169 | Q161-L165 VanDerWaalsContact O-CG 3.31Å; Q161-L165 WeakPolarHBondContact O-CG 3.41Å; Q161-L165 PolarHBondContact O-N 2.7Å; I162-L165 PolarHBondContact O-N 2.87Å; D163-L165 PolarHBondContact O-N 3.41Å; L165-A168 PolarHBondContact O-N 2.89Å; L165-Y169 WeakPolarHBondContact O-CB 3.33Å; L165-Y169 PolarHBondContact O-N 3.26Å |
| 166 | F | 79.7 | Confident | 71.9 | Confident | 136 Ų | 136 | 121.8 Ų | 121.8 | 60% | 0.596 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.7 | -43.9 | 176.4 | -172.3 | -101 | 0 | 0 | 0 | 111.3 | I162 D163 Y169 V170 | I162-F166 WeakPolarHBondContact O-CB 3.31Å; I162-F166 PolarHBondContact O-N 2.93Å; D163-F166 PolarHBondContact O-N 3.03Å; F166-Y169 PolarHBondContact O-N 3.22Å; F166-V170 HydrophobicContact CD1-CG2 4.3Å; F166-V170 HydrophobicContact CE1-CG2 3.99Å; F166-V170 HydrophobicContact CZ-CG2 4.17Å; F166-V170 VanDerWaalsContact O-CG2 3.31Å; F166-V170 WeakPolarHBondContact O-CG2 3.35Å; F166-V170 PolarHBondContact O-N 3.47Å |
| 167 | T | 78.7 | Confident | 72.6 | Confident | 81 Ų | 81 | 122.5 Ų | 122.5 | 50% | 0.497 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.5 | -43.7 | 173.5 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | D163 V170 Y171 | D163-T167 WeakPolarHBondContact O-CB 3.46Å; D163-T167 PolarHBondContact O-N 3.43Å; D163-T167 PolarHBondContact O-OG1 3.41Å; T167-V170 PolarHBondContact O-N 3.47Å; T167-Y171 HydrophobicContact CG2-CD2 4.39Å; T167-Y171 PolarHBondContact O-N 3.06Å |
| 168 | A | 79.1 | Confident | 72.6 | Confident | 39 Ų | 39 | 119.3 Ų | 119.3 | 32% | 0.322 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.9 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T164 L165 V170 Y171 L172 | T164-A168 WeakPolarHBondContact O-CB 3.35Å; T164-A168 PolarHBondContact O-N 3.46Å; L165-A168 PolarHBondContact O-N 2.89Å; A168-V170 PolarHBondContact O-N 2.98Å; A168-Y171 PolarHBondContact O-N 3.35Å; A168-L172 HydrophobicContact CB-CD1 4.43Å; A168-L172 WeakPolarHBondContact O-CB 3.31Å; A168-L172 WeakPolarHBondContact O-CD1 3.43Å; A168-L172 PolarHBondContact O-N 2.88Å |
| 169 | Y | 77.5 | Confident | 72.6 | Confident | 146 Ų | 146 | 120.9 Ų | 120.9 | 57% | 0.573 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.2 | -43.7 | 177.5 | 179.3 | -98.6 | 0 | 0 | 0 | 112.3 | L165 F166 Y171 L172 K173 | L165-Y169 WeakPolarHBondContact O-CB 3.33Å; L165-Y169 PolarHBondContact O-N 3.26Å; F166-Y169 PolarHBondContact O-N 3.22Å; Y169-Y171 VanDerWaalsContact C-N 3.3Å; Y169-Y171 PolarHBondContact O-N 3Å; Y169-L172 PolarHBondContact O-N 3.37Å; Y169-K173 HydrophobicContact CE1-CD 4.39Å; Y169-K173 WeakPolarHBondContact O-CB 3.44Å; Y169-K173 PolarHBondContact O-N 3.16Å |
| 170 | V | 77.6 | Confident | 72.9 | Confident | 79 Ų | 79 | 119.1 Ų | 119.1 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.7 | -38.1 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | F166 T167 A168 | F166-V170 HydrophobicContact CD1-CG2 4.3Å; F166-V170 HydrophobicContact CE1-CG2 3.99Å; F166-V170 HydrophobicContact CZ-CG2 4.17Å; F166-V170 VanDerWaalsContact O-CG2 3.31Å; F166-V170 WeakPolarHBondContact O-CG2 3.35Å; F166-V170 PolarHBondContact O-N 3.47Å; T167-V170 PolarHBondContact O-N 3.47Å; A168-V170 PolarHBondContact O-N 2.98Å |
| 171 | Y | 72.7 | Confident | 73.3 | Confident | 186 Ų | 186 | 119.9 Ų | 119.9 | 73% | 0.729 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -77.4 | -26.3 | 178.2 | -103.3 | -91 | 0 | 0 | 0 | 114.7 | T167 A168 Y169 P174 | T167-Y171 HydrophobicContact CG2-CD2 4.39Å; T167-Y171 PolarHBondContact O-N 3.06Å; A168-Y171 PolarHBondContact O-N 3.35Å; Y169-Y171 VanDerWaalsContact C-N 3.3Å; Y169-Y171 PolarHBondContact O-N 3Å; Y171-P174 VanDerWaalsContact O-CD 3.28Å; Y171-P174 WeakPolarHBondContact O-CD 3.28Å |
| 172 | L | 72.8 | Confident | 73.4 | Confident | 105 Ų | 105 | 119.6 Ų | 119.6 | 55% | 0.55 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -91.3 | -14.6 | 179 | -81.8 | 149.4 | 0 | 0 | 0 | 113.5 | A168 Y169 P174 F175 | A168-L172 HydrophobicContact CB-CD1 4.43Å; A168-L172 WeakPolarHBondContact O-CB 3.31Å; A168-L172 WeakPolarHBondContact O-CD1 3.43Å; A168-L172 PolarHBondContact O-N 2.88Å; Y169-L172 PolarHBondContact O-N 3.37Å; L172-P174 VanDerWaalsContact C-N 3.35Å; L172-F175 PolarHBondContact O-N 3.43Å; L172-F175 VanDerWaalsContact O-N 3.16Å |
| 173 | K | 69.5 | Low | 73.2 | Confident | 132 Ų | 132 | 121.3 Ų | 121.3 | 57% | 0.574 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -56.6 | -30.6 | 176.4 | -163.6 | 170.9 | -172.1 | -178.5 | 0 | 116 | Y169 F175 | Y169-K173 HydrophobicContact CE1-CD 4.39Å; Y169-K173 WeakPolarHBondContact O-CB 3.44Å; Y169-K173 PolarHBondContact O-N 3.16Å; K173-F175 VanDerWaalsContact C-N 3.33Å |
| 174 | P | 66 | Low | 73.1 | Confident | 99 Ų | 99 | 123.3 Ų | 123.3 | 64% | 0.643 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -86.4 | 5.4 | 177.3 | 31.4 | -29.9 | 0 | 0 | 0 | 114.6 | Y171 L172 | Y171-P174 VanDerWaalsContact O-CD 3.28Å; Y171-P174 WeakPolarHBondContact O-CD 3.28Å; L172-P174 VanDerWaalsContact C-N 3.35Å |
| 175 | F | 65.2 | Low | 72.7 | Confident | 188 Ų | 188 | 126.1 Ų | 126.1 | 83% | 0.825 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -116.7 | 8.1 | 179 | -92.6 | -89.2 | 0 | 0 | 0 | 114 | L172 K173 | L172-F175 PolarHBondContact O-N 3.43Å; L172-F175 VanDerWaalsContact O-N 3.16Å; K173-F175 VanDerWaalsContact C-N 3.33Å |
| 176 | I | 55.7 | Low | 72.2 | Confident | 204 Ų | 204 | 126.8 Ų | 126.8 | 100% | 1.046 | 62% | 0.621 | S | S | * | * | trans | -121 | 0 | 170.8 | -58.3 | 173.8 | 0 | 0 | 0 | 107.6 |
Retrieved 176 of 176 residues in 218.1 ms
(Link to these results)