| 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 | 42.6 | Very low | 35.3 | Very low | 249 Ų | 249 | 163.9 Ų | 163.9 | 100% | 1.227 | 85% | 0.848 | S | S | * | * | 0 | 100.1 | 0 | -61.9 | -168.5 | 90.9 | 0 | 0 | 107.2 | |||||
| 2 | T | 33.5 | Very low | 35.1 | Very low | 136 Ų | 136 | 168.9 Ų | 168.9 | 83% | 0.834 | 85% | 0.848 | S | S | * | * | trans | -97 | 144.2 | -175.3 | 38.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | S | 34.2 | Very low | 34.8 | Very low | 128 Ų | 128 | 160.9 Ų | 160.9 | 90% | 0.895 | 83% | 0.834 | S | S | * | * | trans | -142.8 | 127.2 | 157.4 | -155.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 4 | S | 37.6 | Very low | 34.6 | Very low | 96 Ų | 96 | 163.8 Ų | 163.8 | 67% | 0.671 | 84% | 0.837 | S | S | * | * | trans | -134.8 | 140.7 | -170.2 | -68.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 5 | L | 38.3 | Very low | 34.6 | Very low | 149 Ų | 149 | 164.1 Ų | 164.1 | 78% | 0.78 | 83% | 0.834 | S | S | * | * | trans | 72.2 | 136.2 | 142.1 | -66.7 | 163.3 | 0 | 0 | 0 | 122.2 | ||||
| 6 | L | 33.8 | Very low | 34.6 | Very low | 161 Ų | 161 | 166.6 Ų | 166.6 | 84% | 0.843 | 84% | 0.841 | S | S | * | * | 143.6 | 107.5 | 129.3 | -74.3 | 164.5 | 0 | 0 | 0 | 109.6 | |||||
| 7 | L | 32 | Very low | 34.4 | Very low | 138 Ų | 138 | 161.3 Ų | 161.3 | 72% | 0.723 | 84% | 0.837 | S | S | * | * | 69.9 | 114.8 | 67.3 | -80.2 | 169.2 | 0 | 0 | 0 | 118 | |||||
| 8 | L | 33.6 | Very low | 34.4 | Very low | 149 Ų | 149 | 165.1 Ų | 165.1 | 78% | 0.78 | 84% | 0.839 | S | S | * | * | trans | 77.2 | 163.1 | 144.1 | -72.8 | 161.5 | 0 | 0 | 0 | 120.4 | ||||
| 9 | P | 42.5 | Very low | 34.2 | Very low | 117 Ų | 117 | 168 Ų | 168 | 76% | 0.76 | 84% | 0.839 | S | S | * | * | cis | -139.8 | 176.4 | -5.3 | 24.7 | 1.2 | 0 | 0 | 0 | 118.1 | ||||
| 10 | W | 28.6 | Very low | 34.5 | Very low | 227 Ų | 227 | 164.8 Ų | 164.8 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -54.2 | 153.9 | 164.3 | -110.6 | 19.9 | 0 | 0 | 0 | 118.1 | ||||
| 11 | R | 32.1 | Very low | 34.4 | Very low | 253 Ų | 253 | 164.9 Ų | 164.9 | 96% | 0.955 | 83% | 0.832 | S | S | * | * | trans | -150.7 | 145.3 | 140.6 | -91.7 | -164.6 | 178.6 | -108 | -1.7 | 113.6 | ||||
| 12 | R | 32.7 | Very low | 34 | Very low | 224 Ų | 224 | 160.4 Ų | 160.4 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -87.1 | 159.8 | 178.9 | -84.5 | 174.2 | 160.1 | -173.8 | -5.4 | 113.6 | ||||
| 13 | G | 30.7 | Very low | 34 | Very low | 65 Ų | 65 | 159.4 Ų | 159.4 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | trans | 157.3 | 113.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 14 | F | 32.5 | Very low | 34.1 | Very low | 201 Ų | 201 | 158.4 Ų | 158.4 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | 114.7 | 132.6 | 65.5 | -96.7 | -66.8 | 0 | 0 | 0 | 109.9 | |||||
| 15 | H | 33.7 | Very low | 34.1 | Very low | 169 Ų | 169 | 164.9 Ų | 164.9 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | trans | -82.4 | 148.9 | -175.4 | -61.1 | -88.1 | 0 | 0 | 0 | 113.3 | ||||
| 16 | H | 35 | Very low | 33.8 | Very low | 204 Ų | 204 | 169 Ų | 169 | 94% | 0.944 | 82% | 0.819 | S | S | * | * | trans | -166.9 | 148.7 | 144 | -73.2 | -55.6 | 0 | 0 | 0 | 106.2 | ||||
| 17 | G | 32 | Very low | 33.9 | Very low | 76 Ų | 76 | 166.4 Ų | 166.4 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | cis | 161.6 | 138.8 | 10.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 18 | R | 33.7 | Very low | 33.9 | Very low | 230 Ų | 230 | 163.1 Ų | 163.1 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -82 | 156.9 | -177.3 | -74 | 178.3 | 153.4 | -164.9 | -5.5 | 113 | ||||
| 19 | R | 30.6 | Very low | 33.9 | Very low | 220 Ų | 220 | 160.4 Ų | 160.4 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | 87.7 | 168.9 | 152.4 | -47.5 | -166.2 | 155.5 | -172.8 | -5.1 | 117.3 | ||||
| 20 | P | 40.5 | Very low | 33.6 | Very low | 104 Ų | 104 | 159.6 Ų | 159.6 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | -126.6 | 159 | -80.5 | 36.1 | -18.7 | 0 | 0 | 0 | 111.3 | |||||
| 21 | L | 31.5 | Very low | 33.9 | Very low | 166 Ų | 166 | 158.9 Ų | 158.9 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -132.7 | 96.8 | 169.2 | -71.1 | 169 | 0 | 0 | 0 | 107.5 | ||||
| 22 | L | 34.2 | Very low | 34 | Very low | 155 Ų | 155 | 158.2 Ų | 158.2 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | 59.3 | 106.4 | 94 | -83.2 | 157.1 | 0 | 0 | 0 | 112.3 | S24 | L22-S24 PolarHBondContact O-N 3.41Š| |||
| 23 | S | 35.1 | Very low | 34 | Very low | 115 Ų | 115 | 156.1 Ų | 156.1 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -59.1 | 131.1 | 167.4 | 73.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 24 | S | 34.9 | Very low | 34.8 | Very low | 108 Ų | 108 | 158.4 Ų | 158.4 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -120.6 | 96.2 | 152.1 | 72.6 | 0 | 0 | 0 | 0 | 108.3 | L22 R26 | L22-S24 PolarHBondContact O-N 3.41Å; S24-R26 PolarHBondContact O-N 3.12Å; S24-R26 VanDerWaalsContact O-N 3.14Å | ||
| 25 | R | 37.2 | Very low | 35.1 | Very low | 231 Ų | 231 | 153.6 Ų | 153.6 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -50.1 | 111.9 | 151.8 | -84.7 | 175.4 | 160.7 | -151.5 | -4 | 107.7 | S27 | R25-S27 PolarHBondContact O-OG 3.4Š| ||
| 26 | R | 33.8 | Very low | 35.6 | Very low | 237 Ų | 237 | 151.9 Ų | 151.9 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -94.1 | 96.5 | 145.4 | -81.2 | 179.1 | 155.8 | -149.3 | -4.3 | 103.6 | S24 G28 | S24-R26 PolarHBondContact O-N 3.12Å; S24-R26 VanDerWaalsContact O-N 3.14Å; R26-G28 PolarHBondContact O-N 3.28Å | ||
| 27 | S | 34.7 | Very low | 36.6 | Very low | 105 Ų | 105 | 145 Ų | 145 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | 47.7 | 48.5 | 70.4 | -45 | 0 | 0 | 0 | 0 | 111.5 | R25 A29 | R25-S27 PolarHBondContact O-OG 3.4Å; S27-A29 VanDerWaalsContact C-N 3.29Å; S27-A29 PolarHBondContact O-N 3.46Å; S27-A29 VanDerWaalsContact O-N 3.12Å | |||
| 28 | G | 33.1 | Very low | 37.8 | Very low | 70 Ų | 70 | 150.1 Ų | 150.1 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -67.9 | 95.6 | 153.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | R26 S30 | R26-G28 PolarHBondContact O-N 3.28Å; G28-S30 VanDerWaalsContact C-N 3.26Å; G28-S30 PolarHBondContact O-N 2.71Å | ||
| 29 | A | 33.3 | Very low | 39.5 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | -66.9 | 88.1 | 167 | 0 | 0 | 0 | 0 | 0 | 108.5 | S27 R31 | S27-A29 VanDerWaalsContact C-N 3.29Å; S27-A29 PolarHBondContact O-N 3.46Å; S27-A29 VanDerWaalsContact O-N 3.12Å; A29-R31 VanDerWaalsContact C-N 3.31Å; A29-R31 PolarHBondContact O-N 3.37Å; A29-R31 VanDerWaalsContact O-N 3.11Å | ||
| 30 | S | 35.3 | Very low | 41.7 | Very low | 99 Ų | 99 | 133 Ų | 133 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | trans | -69.1 | 101 | 152.6 | 32.8 | 0 | 0 | 0 | 0 | 106.1 | G28 W32 | G28-S30 VanDerWaalsContact C-N 3.26Å; G28-S30 PolarHBondContact O-N 2.71Å; S30-W32 PolarHBondContact O-N 2.82Å; S30-W32 VanDerWaalsContact O-N 3.08Å | ||
| 31 | R | 34.6 | Very low | 43.5 | Very low | 212 Ų | 212 | 137.9 Ų | 137.9 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | trans | -48.8 | 119.4 | 163.3 | -73.8 | 178.5 | -164.6 | -156.9 | 0.9 | 106.9 | A29 F33 | A29-R31 VanDerWaalsContact C-N 3.31Å; A29-R31 PolarHBondContact O-N 3.37Å; A29-R31 VanDerWaalsContact O-N 3.11Å; R31-F33 PolarHBondContact O-N 3.47Å | ||
| 32 | W | 35.4 | Very low | 45.9 | Very low | 240 Ų | 240 | 133.5 Ų | 133.5 | 91% | 0.909 | 72% | 0.719 | S | S | * | * | trans | -62.4 | 91.1 | 162.2 | -69.8 | 19.6 | 0 | 0 | 0 | 105.7 | S30 S34 | S30-W32 PolarHBondContact O-N 2.82Å; S30-W32 VanDerWaalsContact O-N 3.08Å; W32-S34 VanDerWaalsContact C-N 3.27Å; W32-S34 PolarHBondContact O-N 2.91Å; W32-S34 VanDerWaalsContact O-N 3.09Å | ||
| 33 | F | 31.4 | Very low | 48.2 | Very low | 180 Ų | 180 | 126.9 Ų | 126.9 | 79% | 0.789 | 68% | 0.684 | S | S | * | * | trans | -62.5 | 107.6 | 150.3 | -75.1 | -79.6 | 0 | 0 | 0 | 103.9 | R31 S35 | R31-F33 PolarHBondContact O-N 3.47Å; F33-S35 PolarHBondContact O-N 3.33Å | ||
| 34 | S | 48.2 | Very low | 50.5 | Low | 113 Ų | 113 | 124 Ų | 124 | 79% | 0.79 | 66% | 0.657 | S | S | * | * | trans | -58.1 | 80.1 | 155 | -55.3 | 0 | 0 | 0 | 0 | 105.9 | W32 D36 | W32-S34 VanDerWaalsContact C-N 3.27Å; W32-S34 PolarHBondContact O-N 2.91Å; W32-S34 VanDerWaalsContact O-N 3.09Å; S34-D36 PolarHBondContact O-N 2.9Å | ||
| 35 | S | 39.5 | Very low | 52.9 | Low | 99 Ų | 99 | 124 Ų | 124 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | trans | -62.8 | 106.9 | 150.7 | 53.8 | 0 | 0 | 0 | 0 | 102.7 | F33 G37 | F33-S35 PolarHBondContact O-N 3.33Å; S35-G37 PolarHBondContact O-N 3.37Å | ||
| 36 | D | 44.6 | Very low | 55.2 | Low | 133 Ų | 133 | 114 Ų | 114 | 71% | 0.711 | 61% | 0.611 | S | S | * | * | trans | -47.1 | 103.7 | 150.9 | -91.7 | -36.4 | 0 | 0 | 0 | 104.5 | S34 Q38 | S34-D36 PolarHBondContact O-N 2.9Å; D36-Q38 PolarHBondContact O-N 2.91Å | ||
| 37 | G | 55.3 | Low | 57.8 | Low | 59 Ų | 59 | 102.8 Ų | 102.8 | 61% | 0.608 | 57% | 0.569 | S | S | * | * | trans | -63.7 | 93.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | S35 I39 | S35-G37 PolarHBondContact O-N 3.37Å; G37-I39 PolarHBondContact O-N 2.91Å | ||
| 38 | Q | 58.1 | Low | 60.3 | Low | 184 Ų | 184 | 105.2 Ų | 105.2 | 86% | 0.86 | 56% | 0.562 | S | S | * | * | trans | -69.8 | 93.6 | 176.4 | -73.5 | -164.7 | -20.1 | 0 | 0 | 106.5 | D36 S40 | D36-Q38 PolarHBondContact O-N 2.91Å; Q38-S40 PolarHBondContact O-N 3.26Å | ||
| 39 | I | 68.7 | Low | 62.9 | Low | 28 Ų | 28 | 105 Ų | 105 | 14% | 0.144 | 55% | 0.546 | C | S | . | . | trans | -53 | 135.7 | 169.8 | -65.3 | 166.4 | 0 | 0 | 0 | 107.8 | G37 L43 Q44 E55 G56 | G37-I39 PolarHBondContact O-N 2.91Å; I39-L43 HydrophobicContact CG2-CB 3.57Å; I39-L43 HydrophobicContact CG2-CD2 3.35Å; I39-L43 HydrophobicContact CG2-CG 3.98Å; I39-Q44 HydrophobicContact CB-CG 3.84Å; I39-Q44 HydrophobicContact CG2-CG 3.64Å; I39-E55 VanDerWaalsContact CD1-C 3.4Å; I39-E55 VanDerWaalsContact CD1-O 3.27Å; I39-E55 WeakPolarHBondContact CD1-O 3.31Å; I39-G56 VanDerWaalsContact CD1-CA 3.43Å | ||
| 40 | S | 77.3 | Confident | 65.4 | Low | 64 Ų | 64 | 100.6 Ų | 100.6 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | trans | -57.1 | 144.5 | 178.5 | 64.9 | 0 | 0 | 0 | 0 | 110.6 | Q38 S42 L43 Q44 | Q38-S40 PolarHBondContact O-N 3.26Å; S40-S42 PolarHBondContact O-N 3.48Å; S40-S42 VanDerWaalsContact O-N 3.09Å; S40-S42 PolarHBondContact OG-OG 3.43Å; S40-S42 VanDerWaalsContact OG-OG 3.12Å; S40-L43 PolarHBondContact O-N 2.92Å; S40-L43 WeakPolarHBondContact OG-CB 3.41Å; S40-L43 PolarHBondContact OG-N 3.4Å; S40-Q44 PolarHBondContact O-N 3.5Å | ||
| 41 | R | 77.8 | Confident | 67.9 | Low | 206 Ų | 206 | 101.3 Ų | 101.3 | 78% | 0.777 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -52.2 | -37.7 | -179 | -68.8 | -176.1 | 179.6 | 177.3 | 0 | 112.5 | L43 Q44 E45 | R41-L43 PolarHBondContact O-N 3.41Å; R41-Q44 PolarHBondContact O-N 2.82Å; R41-E45 WeakPolarHBondContact O-CB 3.5Å; R41-E45 VanDerWaalsContact O-CG 3.31Å; R41-E45 WeakPolarHBondContact O-CG 3.36Å; R41-E45 PolarHBondContact O-N 3.25Å |
| 42 | S | 81.9 | Confident | 70.3 | Confident | 74 Ų | 74 | 92.7 Ų | 92.7 | 52% | 0.517 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 176 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | S40 S46 | S40-S42 PolarHBondContact O-N 3.48Å; S40-S42 VanDerWaalsContact O-N 3.09Å; S40-S42 PolarHBondContact OG-OG 3.43Å; S40-S42 VanDerWaalsContact OG-OG 3.12Å; S42-S46 PolarHBondContact O-N 3.27Å; S42-S46 PolarHBondContact O-OG 3.45Å |
| 43 | L | 82.9 | Confident | 72.4 | Confident | 15 Ų | 15 | 85.1 Ų | 85.1 | 8% | 0.079 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -78 | -33.8 | 177.9 | -163.1 | 104.4 | 0 | 0 | 0 | 110.7 | I39 S40 R41 E45 S46 Y47 H101 | I39-L43 HydrophobicContact CG2-CB 3.57Å; I39-L43 HydrophobicContact CG2-CD2 3.35Å; I39-L43 HydrophobicContact CG2-CG 3.98Å; S40-L43 PolarHBondContact O-N 2.92Å; S40-L43 WeakPolarHBondContact OG-CB 3.41Å; S40-L43 PolarHBondContact OG-N 3.4Å; R41-L43 PolarHBondContact O-N 3.41Å; L43-E45 VanDerWaalsContact C-N 3.31Å; L43-E45 PolarHBondContact O-N 2.85Å; L43-S46 WeakPolarHBondContact O-CB 3.37Å; L43-S46 PolarHBondContact O-N 2.9Å; L43-Y47 HydrophobicContact CD2-CD2 4.22Å; L43-Y47 HydrophobicContact CD2-CE2 3.64Å; L43-Y47 HydrophobicContact CG-CD2 4.41Å; L43-Y47 HydrophobicContact CG-CE2 4.19Å; L43-Y47 VanDerWaalsContact O-CD2 3.26Å; L43-Y47 WeakPolarHBondContact O-CD2 3.43Å; L43-Y47 PolarHBondContact O-N 3.02Å; L43-H101 HydrophobicContact CD1-CB 3.56Å; L43-H101 HydrophobicContact CD2-CB 4Å; L43-H101 HydrophobicContact CG-CB 4.47Å |
| 44 | Q | 83.3 | Confident | 74.4 | Confident | 54 Ų | 54 | 77.7 Ų | 77.7 | 25% | 0.252 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 170 | -64.4 | -174.5 | -24.6 | 0 | 0 | 111.3 | I39 S40 R41 S46 Y47 R48 A54 | I39-Q44 HydrophobicContact CB-CG 3.84Å; I39-Q44 HydrophobicContact CG2-CG 3.64Å; S40-Q44 PolarHBondContact O-N 3.5Å; R41-Q44 PolarHBondContact O-N 2.82Å; Q44-S46 VanDerWaalsContact C-N 3.33Å; Q44-Y47 PolarHBondContact O-N 2.73Å; Q44-R48 WeakPolarHBondContact O-CG 3.37Å; Q44-R48 PolarHBondContact O-N 3.21Å; Q44-A54 HydrophobicContact CB-CB 4.4Å |
| 45 | E | 84.2 | Confident | 75.2 | Confident | 110 Ų | 110 | 79.1 Ų | 79.1 | 51% | 0.514 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 172.2 | -75.8 | 166.2 | -169.8 | 0 | 0 | 111.7 | R41 L43 Y47 R48 V49 | R41-E45 WeakPolarHBondContact O-CB 3.5Å; R41-E45 VanDerWaalsContact O-CG 3.31Å; R41-E45 WeakPolarHBondContact O-CG 3.36Å; R41-E45 PolarHBondContact O-N 3.25Å; L43-E45 VanDerWaalsContact C-N 3.31Å; L43-E45 PolarHBondContact O-N 2.85Å; E45-Y47 PolarHBondContact O-N 3.41Å; E45-R48 WeakPolarHBondContact O-CB 3.39Å; E45-R48 PolarHBondContact O-N 2.89Å; E45-R48 VanDerWaalsContact O-N 3.13Å; E45-V49 WeakPolarHBondContact O-CG2 3.47Å; E45-V49 PolarHBondContact O-N 3.41Å |
| 46 | S | 86 | Confident | 76.5 | Confident | 19 Ų | 19 | 75.5 Ų | 75.5 | 13% | 0.133 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 175 | -56.4 | 0 | 0 | 0 | 0 | 112 | S42 L43 Q44 V49 L50 | S42-S46 PolarHBondContact O-N 3.27Å; S42-S46 PolarHBondContact O-OG 3.45Å; L43-S46 WeakPolarHBondContact O-CB 3.37Å; L43-S46 PolarHBondContact O-N 2.9Å; Q44-S46 VanDerWaalsContact C-N 3.33Å; S46-V49 PolarHBondContact O-N 3.46Å; S46-L50 WeakPolarHBondContact O-CG 3.31Å; S46-L50 PolarHBondContact O-N 3.24Å; S46-L50 VanDerWaalsContact O-N 3.14Å |
| 47 | Y | 87.8 | Confident | 77.6 | Confident | 2 Ų | 2 | 78.7 Ų | 78.7 | 1% | 0.008 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65 | -37.9 | 173.2 | -80.2 | -72 | 0 | 0 | 0 | 112.4 | L43 Q44 E45 L50 Q51 L52 V63 V98 | L43-Y47 HydrophobicContact CD2-CD2 4.22Å; L43-Y47 HydrophobicContact CD2-CE2 3.64Å; L43-Y47 HydrophobicContact CG-CD2 4.41Å; L43-Y47 HydrophobicContact CG-CE2 4.19Å; L43-Y47 VanDerWaalsContact O-CD2 3.26Å; L43-Y47 WeakPolarHBondContact O-CD2 3.43Å; L43-Y47 PolarHBondContact O-N 3.02Å; Q44-Y47 PolarHBondContact O-N 2.73Å; E45-Y47 PolarHBondContact O-N 3.41Å; Y47-L50 CarbonylContact O-C 3.53Å; Y47-L50 PolarHBondContact O-N 2.86Å; Y47-Q51 PolarHBondContact O-N 3.49Å; Y47-L52 HydrophobicContact CD1-CB 4.04Å; Y47-L52 HydrophobicContact CD1-CD1 4.17Å; Y47-L52 PolarHBondContact O-N 3.37Å; Y47-V63 HydrophobicContact CE1-CG2 4.18Å; Y47-V98 HydrophobicContact CD1-CG1 4.49Å; Y47-V98 HydrophobicContact CD1-CG2 4.13Å; Y47-V98 HydrophobicContact CD2-CG2 4.19Å; Y47-V98 HydrophobicContact CE1-CB 4.47Å; Y47-V98 HydrophobicContact CE1-CG1 3.59Å; Y47-V98 HydrophobicContact CE1-CG2 3.96Å; Y47-V98 HydrophobicContact CE2-CG1 4.37Å; Y47-V98 HydrophobicContact CE2-CG2 4.03Å; Y47-V98 HydrophobicContact CG-CG2 4.25Å; Y47-V98 WeakPolarHBondContact OH-CG1 3.32Å |
| 48 | R | 88.1 | Confident | 78.7 | Confident | 156 Ų | 156 | 76.4 Ų | 76.4 | 59% | 0.589 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.3 | -40.5 | 175.8 | -72.3 | 173.9 | -178.6 | 174.4 | 1.5 | 112.4 | Q44 E45 L50 Q51 A54 | Q44-R48 WeakPolarHBondContact O-CG 3.37Å; Q44-R48 PolarHBondContact O-N 3.21Å; E45-R48 WeakPolarHBondContact O-CB 3.39Å; E45-R48 PolarHBondContact O-N 2.89Å; E45-R48 VanDerWaalsContact O-N 3.13Å; R48-L50 VanDerWaalsContact C-N 3.25Å; R48-L50 PolarHBondContact O-N 2.94Å; R48-Q51 WeakPolarHBondContact O-CA 3.48Å; R48-Q51 PolarHBondContact O-N 2.99Å; R48-A54 HydrophobicContact CG-CB 4.27Å |
| 49 | V | 88 | Confident | 79.8 | Confident | 65 Ų | 65 | 69.6 Ų | 69.6 | 39% | 0.394 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 175.2 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | E45 S46 Q51 V91 A94 | E45-V49 WeakPolarHBondContact O-CG2 3.47Å; E45-V49 PolarHBondContact O-N 3.41Å; S46-V49 PolarHBondContact O-N 3.46Å; V49-Q51 PolarHBondContact O-N 3.09Å; V49-V91 HydrophobicContact CG1-CG2 4.01Å; V49-A94 HydrophobicContact CB-CB 4.11Å; V49-A94 HydrophobicContact CG1-CB 3.98Å |
| 50 | L | 85.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 3 | 173.6 | -63.2 | 172.2 | 0 | 0 | 0 | 113.9 | S46 Y47 R48 L52 V63 L70 V91 A94 V98 | S46-L50 WeakPolarHBondContact O-CG 3.31Å; S46-L50 PolarHBondContact O-N 3.24Å; S46-L50 VanDerWaalsContact O-N 3.14Å; Y47-L50 CarbonylContact O-C 3.53Å; Y47-L50 PolarHBondContact O-N 2.86Å; R48-L50 VanDerWaalsContact C-N 3.25Å; R48-L50 PolarHBondContact O-N 2.94Å; L50-L52 VanDerWaalsContact C-N 3.29Å; L50-L52 HydrophobicContact CB-CD1 4.19Å; L50-L52 HydrophobicContact CB-CG 4.33Å; L50-L52 PolarHBondContact O-N 3.2Å; L50-V63 HydrophobicContact CD1-CG1 4.15Å; L50-L70 HydrophobicContact CD2-CD1 4.24Å; L50-V91 HydrophobicContact CD2-CG1 3.94Å; L50-A94 HydrophobicContact CG-CB 4.22Å; L50-V98 HydrophobicContact CD1-CG2 4.07Å |
| 51 | Q | 86.6 | Confident | 80.7 | Confident | 115 Ų | 115 | 71.1 Ų | 71.1 | 54% | 0.537 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 38.4 | -177.6 | -55.4 | 176.6 | 3.4 | 0 | 0 | 113.4 | Y47 R48 V49 | Y47-Q51 PolarHBondContact O-N 3.49Å; R48-Q51 WeakPolarHBondContact O-CA 3.48Å; R48-Q51 PolarHBondContact O-N 2.99Å; V49-Q51 PolarHBondContact O-N 3.09Å |
| 52 | L | 85.4 | Confident | 81.1 | Confident | 30 Ų | 30 | 66 Ų | 66 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | trans | -111.4 | 157.4 | 177.6 | -67.6 | 175.4 | 0 | 0 | 0 | 110.8 | Y47 L50 A54 V63 A66 | Y47-L52 HydrophobicContact CD1-CB 4.04Å; Y47-L52 HydrophobicContact CD1-CD1 4.17Å; Y47-L52 PolarHBondContact O-N 3.37Å; L50-L52 VanDerWaalsContact C-N 3.29Å; L50-L52 HydrophobicContact CB-CD1 4.19Å; L50-L52 HydrophobicContact CB-CG 4.33Å; L50-L52 PolarHBondContact O-N 3.2Å; L52-A54 PolarHBondContact O-N 2.87Å; L52-V63 HydrophobicContact CD1-CB 4.29Å; L52-V63 HydrophobicContact CD1-CG1 4.48Å; L52-V63 HydrophobicContact CD1-CG2 3.82Å; L52-A66 HydrophobicContact CD1-CB 4.11Å; L52-A66 HydrophobicContact CD2-CB 4.06Å; L52-A66 HydrophobicContact CG-CB 4.14Å | ||
| 53 | P | 80.5 | Confident | 81.4 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 53% | 0.532 | 32% | 0.323 | S | S | . | . | trans | -59.9 | 131.7 | 179 | 22.2 | -31.8 | 0 | 0 | 0 | 111.3 | E55 G56 | P53-E55 PolarHBondContact O-N 3.17Å; P53-G56 PolarHBondContact O-N 3.36Å | ||
| 54 | A | 71.7 | Confident | 81.5 | Confident | 24 Ų | 24 | 68.4 Ų | 68.4 | 20% | 0.198 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -7.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q44 R48 L52 G56 | Q44-A54 HydrophobicContact CB-CB 4.4Å; R48-A54 HydrophobicContact CG-CB 4.27Å; L52-A54 PolarHBondContact O-N 2.87Å; A54-G56 PolarHBondContact O-N 2.86Å |
| 55 | E | 66.3 | Low | 81.9 | Confident | 143 Ų | 143 | 68.7 Ų | 68.7 | 67% | 0.668 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -1.9 | 179 | -60.5 | 178.7 | -169.1 | 0 | 0 | 113 | I39 P53 R57 | I39-E55 VanDerWaalsContact CD1-C 3.4Å; I39-E55 VanDerWaalsContact CD1-O 3.27Å; I39-E55 WeakPolarHBondContact CD1-O 3.31Å; P53-E55 PolarHBondContact O-N 3.17Å; E55-R57 PolarHBondContact O-N 3.13Å; E55-R57 VanDerWaalsContact O-N 3.13Å |
| 56 | G | 66.4 | Low | 82.1 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 23% | 0.227 | 34% | 0.335 | C | S | . | . | trans | 59.9 | 24.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | I39 P53 A54 S58 | I39-G56 VanDerWaalsContact CD1-CA 3.43Å; P53-G56 PolarHBondContact O-N 3.36Å; A54-G56 PolarHBondContact O-N 2.86Å; G56-S58 VanDerWaalsContact C-N 3.34Å | ||
| 57 | R | 66.9 | Low | 82.4 | Confident | 201 Ų | 201 | 64.4 Ų | 64.4 | 76% | 0.758 | 33% | 0.334 | S | S | * | . | trans | -93 | 15.6 | 174.7 | -62.7 | -178.9 | -178.3 | -179.6 | 1.6 | 113.5 | E55 | E55-R57 PolarHBondContact O-N 3.13Å; E55-R57 VanDerWaalsContact O-N 3.13Å | ||
| 58 | S | 78.3 | Confident | 82.5 | Confident | 10 Ų | 10 | 69.1 Ų | 69.1 | 7% | 0.07 | 36% | 0.359 | C | S | . | . | trans | -76.2 | 137.4 | -179.7 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | G56 Q102 | G56-S58 VanDerWaalsContact C-N 3.34Å; S58-Q102 PolarHBondContact O-NE2 2.89Å | ||
| 59 | S | 82 | Confident | 82.6 | Confident | 41 Ų | 41 | 68 Ų | 68 | 29% | 0.287 | 36% | 0.355 | S | S | . | . | trans | -70 | 151.8 | -179.4 | 76 | 0 | 0 | 0 | 0 | 111.4 | A61 E62 V63 | S59-A61 PolarHBondContact O-N 2.91Å; S59-A61 VanDerWaalsContact O-N 3.13Å; S59-E62 WeakPolarHBondContact CB-OE1 3.3Å; S59-E62 PolarHBondContact N-OE2 3.39Å; S59-E62 WeakPolarHBondContact O-CB 3.5Å; S59-E62 PolarHBondContact O-N 3.47Å; S59-E62 VanDerWaalsContact OG-CG 3.29Å; S59-E62 WeakPolarHBondContact OG-CG 3.46Å; S59-E62 PolarHBondContact OG-N 2.88Å; S59-E62 PolarHBondContact OG-OE1 2.71Å; S59-V63 WeakPolarHBondContact O-CG2 3.32Å; S59-V63 PolarHBondContact O-N 3.34Å | ||
| 60 | P | 80.6 | Confident | 82.6 | Confident | 55 Ų | 55 | 65 Ų | 65 | 36% | 0.357 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.7 | -28.3 | -179.5 | 19.4 | -31.6 | 0 | 0 | 0 | 113.3 | R64 | P60-R64 WeakPolarHBondContact O-CG 3.31Å; P60-R64 PolarHBondContact O-N 2.92Å |
| 61 | A | 84.3 | Confident | 82.7 | Confident | 69 Ų | 69 | 65.6 Ų | 65.6 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -72.4 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | S59 R64 A65 | S59-A61 PolarHBondContact O-N 2.91Å; S59-A61 VanDerWaalsContact O-N 3.13Å; A61-R64 WeakPolarHBondContact O-CB 3.42Å; A61-R64 PolarHBondContact O-N 3.22Å; A61-A65 WeakPolarHBondContact O-CB 3.32Å; A61-A65 PolarHBondContact O-N 3.05Å |
| 62 | E | 87.1 | Confident | 82.8 | Confident | 98 Ų | 98 | 67.5 Ų | 67.5 | 46% | 0.458 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 175.6 | -75.6 | 154.4 | -137.7 | 0 | 0 | 111.9 | S59 R64 A65 A66 | S59-E62 WeakPolarHBondContact CB-OE1 3.3Å; S59-E62 PolarHBondContact N-OE2 3.39Å; S59-E62 WeakPolarHBondContact O-CB 3.5Å; S59-E62 PolarHBondContact O-N 3.47Å; S59-E62 VanDerWaalsContact OG-CG 3.29Å; S59-E62 WeakPolarHBondContact OG-CG 3.46Å; S59-E62 PolarHBondContact OG-N 2.88Å; S59-E62 PolarHBondContact OG-OE1 2.71Å; E62-R64 VanDerWaalsContact C-N 3.29Å; E62-R64 PolarHBondContact O-N 3.04Å; E62-A65 PolarHBondContact O-N 3.04Å; E62-A66 WeakPolarHBondContact O-CB 3.48Å; E62-A66 PolarHBondContact O-N 3.31Å |
| 63 | V | 87.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 177.7 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | Y47 L50 L52 S59 A66 Y67 Y95 V98 | Y47-V63 HydrophobicContact CE1-CG2 4.18Å; L50-V63 HydrophobicContact CD1-CG1 4.15Å; L52-V63 HydrophobicContact CD1-CB 4.29Å; L52-V63 HydrophobicContact CD1-CG1 4.48Å; L52-V63 HydrophobicContact CD1-CG2 3.82Å; S59-V63 WeakPolarHBondContact O-CG2 3.32Å; S59-V63 PolarHBondContact O-N 3.34Å; V63-A66 PolarHBondContact O-N 3.37Å; V63-Y67 WeakPolarHBondContact O-CB 3.46Å; V63-Y67 PolarHBondContact O-N 2.95Å; V63-Y95 HydrophobicContact CG1-CD2 3.67Å; V63-Y95 HydrophobicContact CG1-CE2 3.76Å; V63-V98 HydrophobicContact CG1-CB 4.32Å; V63-V98 HydrophobicContact CG1-CG1 3.69Å; V63-V98 HydrophobicContact CG2-CG1 4.05Å |
| 64 | R | 85.6 | Confident | 83 | Confident | 141 Ų | 141 | 69 Ų | 69 | 53% | 0.532 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 173.6 | -83.7 | 169.2 | -174.7 | -164.9 | 3.9 | 112.4 | P60 A61 E62 A66 Y67 L68 Y95 | P60-R64 WeakPolarHBondContact O-CG 3.31Å; P60-R64 PolarHBondContact O-N 2.92Å; A61-R64 WeakPolarHBondContact O-CB 3.42Å; A61-R64 PolarHBondContact O-N 3.22Å; E62-R64 VanDerWaalsContact C-N 3.29Å; E62-R64 PolarHBondContact O-N 3.04Å; R64-A66 VanDerWaalsContact C-N 3.34Å; R64-A66 PolarHBondContact O-N 3.11Å; R64-Y67 PolarHBondContact O-N 3.27Å; R64-L68 WeakPolarHBondContact O-CB 3.19Å; R64-L68 VanDerWaalsContact O-CG 3.3Å; R64-L68 WeakPolarHBondContact O-CG 3.46Å; R64-L68 PolarHBondContact O-N 2.93Å; R64-Y95 HydrophobicContact CG-CE2 4.11Å; R64-Y95 WeakPolarHBondContact CG-OH 3.41Å |
| 65 | A | 90.4 | Very high | 83.6 | Confident | 59 Ų | 59 | 70.6 Ų | 70.6 | 49% | 0.488 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A61 E62 L68 R69 | A61-A65 WeakPolarHBondContact O-CB 3.32Å; A61-A65 PolarHBondContact O-N 3.05Å; E62-A65 PolarHBondContact O-N 3.04Å; A65-L68 PolarHBondContact O-N 2.98Å; A65-R69 WeakPolarHBondContact O-CB 3.44Å; A65-R69 PolarHBondContact O-N 3.2Å |
| 66 | A | 88.9 | Confident | 84.4 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.2 | -46 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L52 E62 V63 R64 R69 L70 | L52-A66 HydrophobicContact CD1-CB 4.11Å; L52-A66 HydrophobicContact CD2-CB 4.06Å; L52-A66 HydrophobicContact CG-CB 4.14Å; E62-A66 WeakPolarHBondContact O-CB 3.48Å; E62-A66 PolarHBondContact O-N 3.31Å; V63-A66 PolarHBondContact O-N 3.37Å; R64-A66 VanDerWaalsContact C-N 3.34Å; R64-A66 PolarHBondContact O-N 3.11Å; A66-R69 PolarHBondContact O-N 2.96Å; A66-L70 WeakPolarHBondContact O-CG 3.43Å; A66-L70 PolarHBondContact O-N 2.91Å |
| 67 | Y | 91.8 | Very high | 85.1 | Confident | 32 Ų | 32 | 72.2 Ų | 72.2 | 13% | 0.125 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 174.6 | 173 | -106.7 | 0 | 0 | 0 | 111.8 | V63 R64 R69 L70 A71 F88 V91 E92 Y95 | V63-Y67 WeakPolarHBondContact O-CB 3.46Å; V63-Y67 PolarHBondContact O-N 2.95Å; R64-Y67 PolarHBondContact O-N 3.27Å; Y67-R69 VanDerWaalsContact C-N 3.26Å; Y67-R69 PolarHBondContact O-N 3.01Å; Y67-L70 PolarHBondContact O-N 3.43Å; Y67-A71 VanDerWaalsContact O-CB 3.22Å; Y67-A71 WeakPolarHBondContact O-CB 3.26Å; Y67-A71 PolarHBondContact O-N 3.28Å; Y67-F88 HydrophobicContact CE2-CE2 4.37Å; Y67-F88 WeakPolarHBondContact OH-CZ 3.41Å; Y67-V91 HydrophobicContact CD2-CG1 3.78Å; Y67-V91 HydrophobicContact CE2-CG1 4.05Å; Y67-E92 HydrophobicContact CE2-CB 4.08Å; Y67-E92 HydrophobicContact CE2-CG 4.24Å; Y67-Y95 AromaticContact CD1-CD1 3.9Å; Y67-Y95 HydrophobicContact CD1-CD1 3.9Å; Y67-Y95 HydrophobicContact CD1-CD2 4.48Å; Y67-Y95 AromaticContact CD1-CE1 3.97Å; Y67-Y95 HydrophobicContact CD1-CE1 3.97Å; Y67-Y95 HydrophobicContact CD1-CG 4.17Å; Y67-Y95 HydrophobicContact CD2-CD1 4.01Å; Y67-Y95 HydrophobicContact CD2-CD2 4.33Å; Y67-Y95 AromaticContact CD2-CG 3.72Å; Y67-Y95 HydrophobicContact CD2-CG 3.72Å; Y67-Y95 HydrophobicContact CE1-CD1 4.15Å; Y67-Y95 HydrophobicContact CE1-CE1 4.31Å; Y67-Y95 HydrophobicContact CE2-CD1 4.28Å; Y67-Y95 HydrophobicContact CE2-CG 4.37Å; Y67-Y95 AromaticContact CG-CD1 3.82Å; Y67-Y95 HydrophobicContact CG-CD1 3.82Å; Y67-Y95 AromaticContact CG-CD2 3.87Å; Y67-Y95 HydrophobicContact CG-CD2 3.87Å; Y67-Y95 HydrophobicContact CG-CE1 4.25Å; Y67-Y95 HydrophobicContact CG-CE2 4.31Å; Y67-Y95 AromaticContact CG-CG 3.61Å; Y67-Y95 HydrophobicContact CG-CG 3.61Å |
| 68 | L | 90.3 | Very high | 85.4 | Confident | 100 Ų | 100 | 65.6 Ų | 65.6 | 52% | 0.524 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.1 | -35 | 179.3 | -71.7 | 173.6 | 0 | 0 | 0 | 112.4 | R64 A65 K72 | R64-L68 WeakPolarHBondContact O-CB 3.19Å; R64-L68 VanDerWaalsContact O-CG 3.3Å; R64-L68 WeakPolarHBondContact O-CG 3.46Å; R64-L68 PolarHBondContact O-N 2.93Å; A65-L68 PolarHBondContact O-N 2.98Å; L68-K72 VanDerWaalsContact O-CG 3.29Å; L68-K72 WeakPolarHBondContact O-CG 3.4Å; L68-K72 PolarHBondContact O-N 3.12Å |
| 69 | R | 89.6 | Confident | 85 | Confident | 133 Ų | 133 | 68.6 Ų | 68.6 | 50% | 0.502 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.2 | -47.7 | 174.9 | -175.8 | -179.5 | 65.5 | 172.8 | 2.1 | 111.2 | A65 A66 Y67 K72 L73 | A65-R69 WeakPolarHBondContact O-CB 3.44Å; A65-R69 PolarHBondContact O-N 3.2Å; A66-R69 PolarHBondContact O-N 2.96Å; Y67-R69 VanDerWaalsContact C-N 3.26Å; Y67-R69 PolarHBondContact O-N 3.01Å; R69-K72 PolarHBondContact O-N 3.27Å; R69-L73 WeakPolarHBondContact O-CG 3.3Å; R69-L73 PolarHBondContact O-N 3.25Å |
| 70 | L | 89.3 | Confident | 84.5 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.3 | -36.9 | 178.8 | -67.1 | 171.8 | 0 | 0 | 0 | 111.9 | L50 A66 Y67 K72 L73 Y74 V91 | L50-L70 HydrophobicContact CD2-CD1 4.24Å; A66-L70 WeakPolarHBondContact O-CG 3.43Å; A66-L70 PolarHBondContact O-N 2.91Å; Y67-L70 PolarHBondContact O-N 3.43Å; L70-K72 PolarHBondContact O-N 3.44Å; L70-L73 PolarHBondContact O-N 3.03Å; L70-L73 VanDerWaalsContact O-N 3.15Å; L70-Y74 HydrophobicContact CB-CD2 4.35Å; L70-Y74 HydrophobicContact CD2-CD2 4.3Å; L70-Y74 HydrophobicContact CD2-CE2 3.85Å; L70-Y74 WeakPolarHBondContact O-CD2 3.4Å; L70-Y74 PolarHBondContact O-N 2.66Å; L70-V91 HydrophobicContact CB-CG1 3.8Å; L70-V91 HydrophobicContact CD1-CG1 4.07Å; L70-V91 HydrophobicContact CD1-CG2 4.38Å |
| 71 | A | 87.4 | Confident | 84.1 | Confident | 12 Ų | 12 | 75.9 Ų | 75.9 | 10% | 0.099 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -57.3 | -50.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y67 L73 Y74 H75 F88 | Y67-A71 VanDerWaalsContact O-CB 3.22Å; Y67-A71 WeakPolarHBondContact O-CB 3.26Å; Y67-A71 PolarHBondContact O-N 3.28Å; A71-L73 PolarHBondContact O-N 3.28Å; A71-L73 VanDerWaalsContact O-N 3.11Å; A71-Y74 PolarHBondContact O-N 3.21Å; A71-H75 WeakPolarHBondContact O-CA 3.47Å; A71-H75 WeakPolarHBondContact O-CB 3.45Å; A71-H75 PolarHBondContact O-N 3.46Å; A71-F88 HydrophobicContact CB-CD2 4.35Å; A71-F88 HydrophobicContact CB-CE2 3.56Å; A71-F88 HydrophobicContact CB-CZ 4.46Å |
| 72 | K | 87.6 | Confident | 83.5 | Confident | 155 Ų | 155 | 76.3 Ų | 76.3 | 67% | 0.674 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.2 | -26.1 | 178.3 | -73.4 | 176 | -179.8 | -173.3 | 0 | 114.1 | L68 R69 L70 | L68-K72 VanDerWaalsContact O-CG 3.29Å; L68-K72 WeakPolarHBondContact O-CG 3.4Å; L68-K72 PolarHBondContact O-N 3.12Å; R69-K72 PolarHBondContact O-N 3.27Å; L70-K72 PolarHBondContact O-N 3.44Å |
| 73 | L | 85.6 | Confident | 83.1 | Confident | 81 Ų | 81 | 73.1 Ų | 73.1 | 42% | 0.424 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -84.2 | -46.7 | 178.6 | -67.6 | 170.3 | 0 | 0 | 0 | 112.2 | R69 L70 A71 | R69-L73 WeakPolarHBondContact O-CG 3.3Å; R69-L73 PolarHBondContact O-N 3.25Å; L70-L73 PolarHBondContact O-N 3.03Å; L70-L73 VanDerWaalsContact O-N 3.15Å; A71-L73 PolarHBondContact O-N 3.28Å; A71-L73 VanDerWaalsContact O-N 3.11Å |
| 74 | Y | 84.4 | Confident | 82.8 | Confident | 63 Ų | 63 | 76.8 Ų | 76.8 | 25% | 0.247 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -100.5 | -5.6 | -169.3 | -64.3 | -68.2 | 0 | 0 | 0 | 114.3 | L70 A71 T82 D84 L87 | L70-Y74 HydrophobicContact CB-CD2 4.35Å; L70-Y74 HydrophobicContact CD2-CD2 4.3Å; L70-Y74 HydrophobicContact CD2-CE2 3.85Å; L70-Y74 WeakPolarHBondContact O-CD2 3.4Å; L70-Y74 PolarHBondContact O-N 2.66Å; A71-Y74 PolarHBondContact O-N 3.21Å; Y74-T82 WeakPolarHBondContact CD1-O 3.2Å; Y74-D84 CarbonylContact O-C 3.41Å; Y74-D84 PolarHBondContact O-N 2.87Å; Y74-D84 VanDerWaalsContact O-N 3.1Å; Y74-L87 HydrophobicContact CD1-CB 4.38Å; Y74-L87 HydrophobicContact CD1-CD1 4.23Å; Y74-L87 HydrophobicContact CE1-CD1 4.22Å |
| 75 | H | 85.3 | Confident | 82.7 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 27% | 0.269 | 42% | 0.416 | S | S | . | . | trans | -65.6 | 130.6 | -177.8 | -169.3 | -82.8 | 0 | 0 | 0 | 111 | A71 D77 C78 A83 F88 | A71-H75 WeakPolarHBondContact O-CA 3.47Å; A71-H75 WeakPolarHBondContact O-CB 3.45Å; A71-H75 PolarHBondContact O-N 3.46Å; H75-D77 IonicContact CE1-OD2 3.75Å; H75-D77 PolarHBondContact CE1-OD2 2.99Å; H75-D77 VanDerWaalsContact CE1-OD2 3.28Å; H75-D77 WeakPolarHBondContact ND1-CB 3.33Å; H75-D77 PolarHBondContact ND1-N 3.49Å; H75-D77 IonicContact ND1-OD2 3.97Å; H75-D77 PolarHBondContact O-N 2.91Å; H75-D77 VanDerWaalsContact O-N 3.09Å; H75-C78 WeakPolarHBondContact O-CB 3.42Å; H75-C78 PolarHBondContact O-N 3.11Å; H75-A83 WeakPolarHBondContact O-CB 3.42Å; H75-F88 HydrophobicContact CB-CD2 4.45Å; H75-F88 AromaticContact CD2-CE1 3.76Å; H75-F88 AromaticContact CD2-CZ 3.64Å | ||
| 76 | P | 83.3 | Confident | 82.6 | Confident | 61 Ų | 61 | 71.9 Ų | 71.9 | 40% | 0.396 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -59.7 | -28.3 | -172.6 | 23 | -34 | 0 | 0 | 0 | 113.2 | A85 | P76-A85 HydrophobicContact CB-CB 4.22Å; P76-A85 HydrophobicContact CG-CB 4.25Å |
| 77 | D | 81.2 | Confident | 82.4 | Confident | 138 Ų | 138 | 74.9 Ų | 74.9 | 74% | 0.738 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -84 | -6.9 | -178.3 | -55.5 | -14.9 | 0 | 0 | 0 | 113.8 | H75 G79 | H75-D77 IonicContact CE1-OD2 3.75Å; H75-D77 PolarHBondContact CE1-OD2 2.99Å; H75-D77 VanDerWaalsContact CE1-OD2 3.28Å; H75-D77 WeakPolarHBondContact ND1-CB 3.33Å; H75-D77 PolarHBondContact ND1-N 3.49Å; H75-D77 IonicContact ND1-OD2 3.97Å; H75-D77 PolarHBondContact O-N 2.91Å; H75-D77 VanDerWaalsContact O-N 3.09Å; D77-G79 VanDerWaalsContact C-N 3.26Å; D77-G79 PolarHBondContact O-N 3.04Å |
| 78 | C | 72.8 | Confident | 82.3 | Confident | 62 Ų | 62 | 74.8 Ų | 74.8 | 42% | 0.419 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -78.9 | -5.3 | -177.6 | -73.3 | 0 | 0 | 0 | 0 | 113.8 | H75 E80 | H75-C78 WeakPolarHBondContact O-CB 3.42Å; H75-C78 PolarHBondContact O-N 3.11Å; C78-E80 PolarHBondContact O-N 3.04Å |
| 79 | G | 68.9 | Low | 82.2 | Confident | 73 Ų | 73 | 72.5 Ų | 72.5 | 75% | 0.753 | 42% | 0.423 | S | S | * | . | trans | 68.7 | 0.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | D77 | D77-G79 VanDerWaalsContact C-N 3.26Å; D77-G79 PolarHBondContact O-N 3.04Å | ||
| 80 | E | 72.3 | Confident | 82.2 | Confident | 119 Ų | 119 | 74.3 Ų | 74.3 | 56% | 0.556 | 43% | 0.43 | S | S | * | . | trans | -79 | 150 | 175.9 | -72.5 | -68.2 | 161 | 0 | 0 | 111.2 | C78 T82 A83 | C78-E80 PolarHBondContact O-N 3.04Å; E80-T82 PolarHBondContact O-N 3.33Å; E80-A83 WeakPolarHBondContact O-CB 3.46Å; E80-A83 PolarHBondContact O-N 3.31Å | ||
| 81 | P | 73.2 | Confident | 82.3 | Confident | 129 Ų | 129 | 74.7 Ų | 74.7 | 84% | 0.838 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -5.4 | -178.3 | 28.8 | -34.3 | 0 | 0 | 0 | 113.8 | ||
| 82 | T | 71.4 | Confident | 82.3 | Confident | 78 Ų | 78 | 76.8 Ų | 76.8 | 48% | 0.479 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.1 | 173 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | Y74 E80 D84 | Y74-T82 WeakPolarHBondContact CD1-O 3.2Å; E80-T82 PolarHBondContact O-N 3.33Å; T82-D84 PolarHBondContact O-N 2.8Å |
| 83 | A | 77.1 | Confident | 82.5 | Confident | 32 Ų | 32 | 76.1 Ų | 76.1 | 26% | 0.264 | 44% | 0.44 | S | S | . | . | trans | -69.7 | 118.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | H75 E80 | H75-A83 WeakPolarHBondContact O-CB 3.42Å; E80-A83 WeakPolarHBondContact O-CB 3.46Å; E80-A83 PolarHBondContact O-N 3.31Å | ||
| 84 | D | 81.8 | Confident | 82.7 | Confident | 77 Ų | 77 | 72.6 Ų | 72.6 | 41% | 0.412 | 42% | 0.422 | S | S | . | . | trans | -142.3 | 116.1 | 179.8 | 179.5 | -4.1 | 0 | 0 | 0 | 109.3 | Y74 T82 G86 L87 F88 | Y74-D84 CarbonylContact O-C 3.41Å; Y74-D84 PolarHBondContact O-N 2.87Å; Y74-D84 VanDerWaalsContact O-N 3.1Å; T82-D84 PolarHBondContact O-N 2.8Å; D84-G86 PolarHBondContact O-N 2.78Å; D84-G86 PolarHBondContact OD1-N 3.32Å; D84-L87 HydrophobicContact CB-CB 4.18Å; D84-L87 HydrophobicContact CB-CD1 4.07Å; D84-L87 HydrophobicContact CB-CG 4.19Å; D84-L87 PolarHBondContact O-N 3.25Å; D84-L87 WeakPolarHBondContact OD2-CG 3.38Å; D84-F88 PolarHBondContact O-N 2.97Å | ||
| 85 | A | 83.9 | Confident | 83 | Confident | 56 Ų | 56 | 71 Ų | 71 | 46% | 0.463 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.4 | -34.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P76 A89 | P76-A85 HydrophobicContact CB-CB 4.22Å; P76-A85 HydrophobicContact CG-CB 4.25Å; A85-A89 WeakPolarHBondContact O-CB 3.33Å; A85-A89 PolarHBondContact O-N 2.71Å |
| 86 | G | 87.7 | Confident | 83.3 | Confident | 40 Ų | 40 | 75.8 Ų | 75.8 | 41% | 0.412 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70.3 | -41.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D84 R90 | D84-G86 PolarHBondContact O-N 2.78Å; D84-G86 PolarHBondContact OD1-N 3.32Å; G86-R90 WeakPolarHBondContact O-CG 3.23Å; G86-R90 PolarHBondContact O-N 2.91Å |
| 87 | L | 85.3 | Confident | 83.5 | Confident | 72 Ų | 72 | 74.6 Ų | 74.6 | 38% | 0.377 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.8 | -40.2 | 175 | -69.3 | 177.3 | 0 | 0 | 0 | 111.5 | Y74 D84 A89 R90 V91 | Y74-L87 HydrophobicContact CD1-CB 4.38Å; Y74-L87 HydrophobicContact CD1-CD1 4.23Å; Y74-L87 HydrophobicContact CE1-CD1 4.22Å; D84-L87 HydrophobicContact CB-CB 4.18Å; D84-L87 HydrophobicContact CB-CD1 4.07Å; D84-L87 HydrophobicContact CB-CG 4.19Å; D84-L87 PolarHBondContact O-N 3.25Å; D84-L87 WeakPolarHBondContact OD2-CG 3.38Å; L87-A89 PolarHBondContact O-N 3.49Å; L87-R90 PolarHBondContact O-N 3.35Å; L87-V91 WeakPolarHBondContact O-CG2 3.48Å; L87-V91 PolarHBondContact O-N 2.88Å |
| 88 | F | 89.1 | Confident | 83.8 | Confident | 29 Ų | 29 | 68 Ų | 68 | 13% | 0.127 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 176.1 | 179.9 | -108.2 | 0 | 0 | 0 | 112.3 | Y67 A71 H75 D84 R90 V91 E92 | Y67-F88 HydrophobicContact CE2-CE2 4.37Å; Y67-F88 WeakPolarHBondContact OH-CZ 3.41Å; A71-F88 HydrophobicContact CB-CD2 4.35Å; A71-F88 HydrophobicContact CB-CE2 3.56Å; A71-F88 HydrophobicContact CB-CZ 4.46Å; H75-F88 HydrophobicContact CB-CD2 4.45Å; H75-F88 AromaticContact CD2-CE1 3.76Å; H75-F88 AromaticContact CD2-CZ 3.64Å; D84-F88 PolarHBondContact O-N 2.97Å; F88-R90 VanDerWaalsContact C-N 3.32Å; F88-R90 PolarHBondContact O-N 3.45Å; F88-V91 WeakPolarHBondContact O-CB 3.34Å; F88-V91 PolarHBondContact O-N 3.34Å; F88-V91 VanDerWaalsContact O-N 3.16Å; F88-E92 PolarHBondContact O-N 3.26Å |
| 89 | A | 88.6 | Confident | 84.4 | Confident | 52 Ų | 52 | 67.6 Ų | 67.6 | 43% | 0.43 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A85 L87 E92 E93 | A85-A89 WeakPolarHBondContact O-CB 3.33Å; A85-A89 PolarHBondContact O-N 2.71Å; L87-A89 PolarHBondContact O-N 3.49Å; A89-E92 PolarHBondContact O-N 2.63Å; A89-E93 WeakPolarHBondContact O-CB 3.4Å; A89-E93 PolarHBondContact O-N 2.96Å |
| 90 | R | 89.8 | Confident | 85.3 | Confident | 172 Ų | 172 | 66.8 Ų | 66.8 | 65% | 0.649 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.4 | -39.8 | 175.2 | -70.8 | 179.5 | -179.5 | -171.1 | 1.4 | 112.4 | G86 L87 F88 A94 | G86-R90 WeakPolarHBondContact O-CG 3.23Å; G86-R90 PolarHBondContact O-N 2.91Å; L87-R90 PolarHBondContact O-N 3.35Å; F88-R90 VanDerWaalsContact C-N 3.32Å; F88-R90 PolarHBondContact O-N 3.45Å; R90-A94 WeakPolarHBondContact O-CB 3.48Å; R90-A94 PolarHBondContact O-N 3.47Å |
| 91 | V | 91.1 | Very high | 85.8 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 6% | 0.055 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 175.7 | 167.2 | 0 | 0 | 0 | 0 | 110.7 | V49 L50 Y67 L70 L87 F88 Y95 | V49-V91 HydrophobicContact CG1-CG2 4.01Å; L50-V91 HydrophobicContact CD2-CG1 3.94Å; Y67-V91 HydrophobicContact CD2-CG1 3.78Å; Y67-V91 HydrophobicContact CE2-CG1 4.05Å; L70-V91 HydrophobicContact CB-CG1 3.8Å; L70-V91 HydrophobicContact CD1-CG1 4.07Å; L70-V91 HydrophobicContact CD1-CG2 4.38Å; L87-V91 WeakPolarHBondContact O-CG2 3.48Å; L87-V91 PolarHBondContact O-N 2.88Å; F88-V91 WeakPolarHBondContact O-CB 3.34Å; F88-V91 PolarHBondContact O-N 3.34Å; F88-V91 VanDerWaalsContact O-N 3.16Å; V91-Y95 WeakPolarHBondContact O-CB 3.46Å; V91-Y95 PolarHBondContact O-N 3.29Å |
| 92 | E | 88.6 | Confident | 86.2 | Confident | 56 Ų | 56 | 60 Ų | 60 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 176.7 | -167.2 | -172 | -178.7 | 0 | 0 | 112.1 | Y67 F88 A89 A94 Y95 R96 | Y67-E92 HydrophobicContact CE2-CB 4.08Å; Y67-E92 HydrophobicContact CE2-CG 4.24Å; F88-E92 PolarHBondContact O-N 3.26Å; A89-E92 PolarHBondContact O-N 2.63Å; E92-A94 PolarHBondContact O-N 2.76Å; E92-Y95 PolarHBondContact O-N 2.94Å; E92-R96 WeakPolarHBondContact O-CG 3.26Å; E92-R96 PolarHBondContact O-N 3.47Å; E92-R96 IonicContact OE1-CZ 2.76Å; E92-R96 VanDerWaalsContact OE1-CZ 3.24Å; E92-R96 IonicContact OE1-NE 3.75Å; E92-R96 PolarHBondContact OE1-NE 2.95Å; E92-R96 VanDerWaalsContact OE1-NE 3.15Å; E92-R96 IonicContact OE1-NH2 3.28Å; E92-R96 PolarHBondContact OE1-NH2 3.34Å; E92-R96 IonicContact OE2-NH2 2.66Å |
| 93 | E | 91.4 | Very high | 86.4 | Confident | 142 Ų | 142 | 59.7 Ų | 59.7 | 66% | 0.664 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.1 | -46.2 | 176.4 | -172.5 | 177.4 | -170.4 | 0 | 0 | 111.2 | A89 Y95 R96 A97 | A89-E93 WeakPolarHBondContact O-CB 3.4Å; A89-E93 PolarHBondContact O-N 2.96Å; E93-Y95 VanDerWaalsContact C-N 3.33Å; E93-Y95 PolarHBondContact O-N 2.85Å; E93-R96 PolarHBondContact O-N 3.25Å; E93-A97 WeakPolarHBondContact O-CB 3.16Å; E93-A97 PolarHBondContact O-N 2.83Å |
| 94 | A | 90.6 | Very high | 86.4 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 5% | 0.05 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | V49 L50 R90 E92 A97 V98 | V49-A94 HydrophobicContact CB-CB 4.11Å; V49-A94 HydrophobicContact CG1-CB 3.98Å; L50-A94 HydrophobicContact CG-CB 4.22Å; R90-A94 WeakPolarHBondContact O-CB 3.48Å; R90-A94 PolarHBondContact O-N 3.47Å; E92-A94 PolarHBondContact O-N 2.76Å; A94-A97 PolarHBondContact O-N 3.1Å; A94-V98 WeakPolarHBondContact O-CG2 3.45Å; A94-V98 PolarHBondContact O-N 3.34Å |
| 95 | Y | 90.4 | Very high | 85.8 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 12% | 0.118 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 177.1 | 176.1 | -112.1 | 0 | 0 | 0 | 112.6 | V63 R64 Y67 V91 E92 E93 V98 L99 | V63-Y95 HydrophobicContact CG1-CD2 3.67Å; V63-Y95 HydrophobicContact CG1-CE2 3.76Å; R64-Y95 HydrophobicContact CG-CE2 4.11Å; R64-Y95 WeakPolarHBondContact CG-OH 3.41Å; Y67-Y95 AromaticContact CD1-CD1 3.9Å; Y67-Y95 HydrophobicContact CD1-CD1 3.9Å; Y67-Y95 HydrophobicContact CD1-CD2 4.48Å; Y67-Y95 AromaticContact CD1-CE1 3.97Å; Y67-Y95 HydrophobicContact CD1-CE1 3.97Å; Y67-Y95 HydrophobicContact CD1-CG 4.17Å; Y67-Y95 HydrophobicContact CD2-CD1 4.01Å; Y67-Y95 HydrophobicContact CD2-CD2 4.33Å; Y67-Y95 AromaticContact CD2-CG 3.72Å; Y67-Y95 HydrophobicContact CD2-CG 3.72Å; Y67-Y95 HydrophobicContact CE1-CD1 4.15Å; Y67-Y95 HydrophobicContact CE1-CE1 4.31Å; Y67-Y95 HydrophobicContact CE2-CD1 4.28Å; Y67-Y95 HydrophobicContact CE2-CG 4.37Å; Y67-Y95 AromaticContact CG-CD1 3.82Å; Y67-Y95 HydrophobicContact CG-CD1 3.82Å; Y67-Y95 AromaticContact CG-CD2 3.87Å; Y67-Y95 HydrophobicContact CG-CD2 3.87Å; Y67-Y95 HydrophobicContact CG-CE1 4.25Å; Y67-Y95 HydrophobicContact CG-CE2 4.31Å; Y67-Y95 AromaticContact CG-CG 3.61Å; Y67-Y95 HydrophobicContact CG-CG 3.61Å; V91-Y95 WeakPolarHBondContact O-CB 3.46Å; V91-Y95 PolarHBondContact O-N 3.29Å; E92-Y95 PolarHBondContact O-N 2.94Å; E93-Y95 VanDerWaalsContact C-N 3.33Å; E93-Y95 PolarHBondContact O-N 2.85Å; Y95-V98 PolarHBondContact O-N 2.99Å; Y95-L99 HydrophobicContact CD1-CD1 4.23Å; Y95-L99 HydrophobicContact CE1-CD1 3.53Å; Y95-L99 HydrophobicContact CE1-CG 4.25Å; Y95-L99 HydrophobicContact CE2-CD1 4.14Å; Y95-L99 HydrophobicContact CE2-CD2 4.26Å; Y95-L99 HydrophobicContact CE2-CG 4.03Å; Y95-L99 VanDerWaalsContact CZ-CD1 3.47Å; Y95-L99 PolarHBondContact O-N 3.38Å; Y95-L99 WeakPolarHBondContact OH-CD1 3.32Å |
| 96 | R | 90.4 | Very high | 84.7 | Confident | 158 Ų | 158 | 73.5 Ų | 73.5 | 60% | 0.596 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.6 | -42.5 | 175.9 | -71.8 | 179.1 | -177.4 | -166.3 | 2.5 | 111.5 | E92 E93 V98 L99 A100 | E92-R96 WeakPolarHBondContact O-CG 3.26Å; E92-R96 PolarHBondContact O-N 3.47Å; E92-R96 IonicContact OE1-CZ 2.76Å; E92-R96 VanDerWaalsContact OE1-CZ 3.24Å; E92-R96 IonicContact OE1-NE 3.75Å; E92-R96 PolarHBondContact OE1-NE 2.95Å; E92-R96 VanDerWaalsContact OE1-NE 3.15Å; E92-R96 IonicContact OE1-NH2 3.28Å; E92-R96 PolarHBondContact OE1-NH2 3.34Å; E92-R96 IonicContact OE2-NH2 2.66Å; E93-R96 PolarHBondContact O-N 3.25Å; R96-V98 VanDerWaalsContact C-N 3.35Å; R96-V98 PolarHBondContact O-N 3.5Å; R96-L99 PolarHBondContact O-N 2.91Å; R96-A100 WeakPolarHBondContact O-CB 3.42Å; R96-A100 PolarHBondContact O-N 2.94Å |
| 97 | A | 88.6 | Confident | 83.3 | Confident | 37 Ų | 37 | 78.5 Ų | 78.5 | 31% | 0.306 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E93 A94 A100 H101 | E93-A97 WeakPolarHBondContact O-CB 3.16Å; E93-A97 PolarHBondContact O-N 2.83Å; A94-A97 PolarHBondContact O-N 3.1Å; A97-A100 PolarHBondContact O-N 3.16Å; A97-H101 PolarHBondContact O-N 3.37Å |
| 98 | V | 87.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 176.5 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | Y47 L50 V63 A94 Y95 R96 A100 H101 Q102 | Y47-V98 HydrophobicContact CD1-CG1 4.49Å; Y47-V98 HydrophobicContact CD1-CG2 4.13Å; Y47-V98 HydrophobicContact CD2-CG2 4.19Å; Y47-V98 HydrophobicContact CE1-CB 4.47Å; Y47-V98 HydrophobicContact CE1-CG1 3.59Å; Y47-V98 HydrophobicContact CE1-CG2 3.96Å; Y47-V98 HydrophobicContact CE2-CG1 4.37Å; Y47-V98 HydrophobicContact CE2-CG2 4.03Å; Y47-V98 HydrophobicContact CG-CG2 4.25Å; Y47-V98 WeakPolarHBondContact OH-CG1 3.32Å; L50-V98 HydrophobicContact CD1-CG2 4.07Å; V63-V98 HydrophobicContact CG1-CB 4.32Å; V63-V98 HydrophobicContact CG1-CG1 3.69Å; V63-V98 HydrophobicContact CG2-CG1 4.05Å; A94-V98 WeakPolarHBondContact O-CG2 3.45Å; A94-V98 PolarHBondContact O-N 3.34Å; Y95-V98 PolarHBondContact O-N 2.99Å; R96-V98 VanDerWaalsContact C-N 3.35Å; R96-V98 PolarHBondContact O-N 3.5Å; V98-A100 VanDerWaalsContact C-N 3.34Å; V98-A100 PolarHBondContact O-N 2.95Å; V98-H101 PolarHBondContact O-N 3.01Å; V98-Q102 HydrophobicContact CG1-CG 4.41Å; V98-Q102 WeakPolarHBondContact O-CG 3.32Å; V98-Q102 PolarHBondContact O-N 3.36Å |
| 99 | L | 86.3 | Confident | 79.4 | Confident | 52 Ų | 52 | 85.5 Ų | 85.5 | 27% | 0.272 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 177.5 | -75.7 | -176 | 0 | 0 | 0 | 112.5 | Y95 R96 H101 Q102 S103 | Y95-L99 HydrophobicContact CD1-CD1 4.23Å; Y95-L99 HydrophobicContact CE1-CD1 3.53Å; Y95-L99 HydrophobicContact CE1-CG 4.25Å; Y95-L99 HydrophobicContact CE2-CD1 4.14Å; Y95-L99 HydrophobicContact CE2-CD2 4.26Å; Y95-L99 HydrophobicContact CE2-CG 4.03Å; Y95-L99 VanDerWaalsContact CZ-CD1 3.47Å; Y95-L99 PolarHBondContact O-N 3.38Å; Y95-L99 WeakPolarHBondContact OH-CD1 3.32Å; R96-L99 PolarHBondContact O-N 2.91Å; L99-H101 VanDerWaalsContact C-N 3.33Å; L99-Q102 PolarHBondContact O-N 3.23Å; L99-S103 PolarHBondContact O-N 3.18Å; L99-S103 PolarHBondContact O-OG 3.16Å |
| 100 | A | 86.1 | Confident | 77.2 | Confident | 56 Ų | 56 | 86.8 Ų | 86.8 | 46% | 0.463 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R96 A97 V98 S103 K104 | R96-A100 WeakPolarHBondContact O-CB 3.42Å; R96-A100 PolarHBondContact O-N 2.94Å; A97-A100 PolarHBondContact O-N 3.16Å; V98-A100 VanDerWaalsContact C-N 3.34Å; V98-A100 PolarHBondContact O-N 2.95Å; A100-S103 PolarHBondContact O-OG 3.3Å; A100-S103 VanDerWaalsContact O-OG 3.05Å; A100-K104 VanDerWaalsContact O-CB 3.29Å; A100-K104 WeakPolarHBondContact O-CB 3.37Å; A100-K104 PolarHBondContact O-N 3.3Å |
| 101 | H | 82.9 | Confident | 74.6 | Confident | 72 Ų | 72 | 83.1 Ų | 83.1 | 33% | 0.333 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 173.4 | -177.6 | -85.9 | 0 | 0 | 0 | 111.9 | L43 A97 V98 L99 K104 T105 | L43-H101 HydrophobicContact CD1-CB 3.56Å; L43-H101 HydrophobicContact CD2-CB 4Å; L43-H101 HydrophobicContact CG-CB 4.47Å; A97-H101 PolarHBondContact O-N 3.37Å; V98-H101 PolarHBondContact O-N 3.01Å; L99-H101 VanDerWaalsContact C-N 3.33Å; H101-K104 PolarHBondContact O-N 2.88Å; H101-T105 PolarHBondContact CE1-OG1 2.96Å; H101-T105 VanDerWaalsContact CE1-OG1 3.23Å; H101-T105 PolarHBondContact ND1-OG1 3.11Å; H101-T105 WeakPolarHBondContact O-CB 3.25Å; H101-T105 PolarHBondContact O-N 3.21Å; H101-T105 PolarHBondContact O-OG1 2.84Å |
| 102 | Q | 82.2 | Confident | 72.1 | Confident | 34 Ų | 34 | 89.6 Ų | 89.6 | 16% | 0.159 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 178 | -72.3 | -170.6 | 12.5 | 0 | 0 | 112.5 | S58 V98 L99 T105 R106 | S58-Q102 PolarHBondContact O-NE2 2.89Å; V98-Q102 HydrophobicContact CG1-CG 4.41Å; V98-Q102 WeakPolarHBondContact O-CG 3.32Å; V98-Q102 PolarHBondContact O-N 3.36Å; L99-Q102 PolarHBondContact O-N 3.23Å; Q102-T105 PolarHBondContact O-N 3.23Å; Q102-R106 WeakPolarHBondContact O-CB 3.34Å; Q102-R106 PolarHBondContact O-N 3.3Å |
| 103 | S | 76.6 | Confident | 69.9 | Low | 72 Ų | 72 | 92.3 Ų | 92.3 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -38.8 | 175.7 | 64.6 | 0 | 0 | 0 | 0 | 111.7 | L99 A100 R106 Q107 | L99-S103 PolarHBondContact O-N 3.18Å; L99-S103 PolarHBondContact O-OG 3.16Å; A100-S103 PolarHBondContact O-OG 3.3Å; A100-S103 VanDerWaalsContact O-OG 3.05Å; S103-R106 PolarHBondContact O-N 3.47Å; S103-Q107 WeakPolarHBondContact O-CB 3.27Å; S103-Q107 PolarHBondContact O-N 3.28Å; S103-Q107 VanDerWaalsContact O-N 3.07Å |
| 104 | K | 77.1 | Confident | 67.5 | Low | 168 Ų | 168 | 92.9 Ų | 92.9 | 73% | 0.73 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.2 | -36.2 | 176.1 | -163.1 | 170.2 | -174.4 | 175.5 | 0 | 113.1 | A100 H101 R106 Q107 | A100-K104 VanDerWaalsContact O-CB 3.29Å; A100-K104 WeakPolarHBondContact O-CB 3.37Å; A100-K104 PolarHBondContact O-N 3.3Å; H101-K104 PolarHBondContact O-N 2.88Å; K104-R106 VanDerWaalsContact C-N 3.35Å; K104-Q107 CarbonylContact O-C 3.58Å; K104-Q107 PolarHBondContact O-N 3.15Å |
| 105 | T | 67.4 | Low | 65.2 | Low | 83 Ų | 83 | 98.7 Ų | 98.7 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -73.9 | -27.8 | 175.1 | -52 | 0 | 0 | 0 | 0 | 112.1 | H101 Q102 Q107 P108 | H101-T105 PolarHBondContact CE1-OG1 2.96Å; H101-T105 VanDerWaalsContact CE1-OG1 3.23Å; H101-T105 PolarHBondContact ND1-OG1 3.11Å; H101-T105 WeakPolarHBondContact O-CB 3.25Å; H101-T105 PolarHBondContact O-N 3.21Å; H101-T105 PolarHBondContact O-OG1 2.84Å; Q102-T105 PolarHBondContact O-N 3.23Å; T105-Q107 VanDerWaalsContact C-N 3.34Å; T105-P108 VanDerWaalsContact O-CD 3.29Å; T105-P108 WeakPolarHBondContact O-CD 3.27Å |
| 106 | R | 62.3 | Low | 63 | Low | 204 Ų | 204 | 103 Ų | 103 | 77% | 0.77 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -83.5 | -12.7 | 176.7 | -156.4 | 170.8 | -173.3 | 177.7 | 0.7 | 112.8 | Q102 S103 K104 | Q102-R106 WeakPolarHBondContact O-CB 3.34Å; Q102-R106 PolarHBondContact O-N 3.3Å; S103-R106 PolarHBondContact O-N 3.47Å; K104-R106 VanDerWaalsContact C-N 3.35Å |
| 107 | Q | 56.7 | Low | 61.1 | Low | 145 Ų | 145 | 103.9 Ų | 103.9 | 68% | 0.678 | 58% | 0.582 | S | S | * | * | trans | -119.5 | 72.8 | 173.4 | -70.1 | -76.4 | -1.3 | 0 | 0 | 111.5 | S103 K104 T105 | S103-Q107 WeakPolarHBondContact O-CB 3.27Å; S103-Q107 PolarHBondContact O-N 3.28Å; S103-Q107 VanDerWaalsContact O-N 3.07Å; K104-Q107 CarbonylContact O-C 3.58Å; K104-Q107 PolarHBondContact O-N 3.15Å; T105-Q107 VanDerWaalsContact C-N 3.34Å | ||
| 108 | P | 52.8 | Low | 59.1 | Low | 91 Ų | 91 | 107.2 Ų | 107.2 | 59% | 0.591 | 60% | 0.595 | S | S | * | * | trans | -117.5 | 74.3 | 154.3 | 35.2 | -16.6 | 0 | 0 | 0 | 106.9 | T105 | T105-P108 VanDerWaalsContact O-CD 3.29Å; T105-P108 WeakPolarHBondContact O-CD 3.27Å | ||
| 109 | D | 41 | Very low | 57.3 | Low | 156 Ų | 156 | 115.2 Ų | 115.2 | 83% | 0.834 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -177.2 | 126.7 | 144.7 | -88.8 | -24.4 | 0 | 0 | 0 | 109.3 | ||
| 110 | G | 42.7 | Very low | 55.7 | Low | 80 Ų | 80 | 119 Ų | 119 | 83% | 0.825 | 66% | 0.655 | S | S | * | * | trans | -64.5 | 153.6 | -157.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 111 | A | 35.2 | Very low | 54 | Low | 95 Ų | 95 | 126.2 Ų | 126.2 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | -160.6 | 132.9 | 129.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | D113 | A111-D113 PolarHBondContact O-N 3.16Š| |||
| 112 | T | 38.3 | Very low | 52.6 | Low | 145 Ų | 145 | 125.9 Ų | 125.9 | 89% | 0.89 | 69% | 0.686 | S | S | * | * | trans | -46.6 | 122.2 | 172.2 | 34.5 | 0 | 0 | 0 | 0 | 113 | D114 | T112-D114 PolarHBondContact O-N 2.93Š| ||
| 113 | D | 41.4 | Very low | 51.5 | Low | 112 Ų | 112 | 129.5 Ų | 129.5 | 60% | 0.599 | 72% | 0.722 | S | S | * | * | trans | -79.4 | 102.2 | 164.5 | -101.6 | -32 | 0 | 0 | 0 | 108.7 | A111 | A111-D113 PolarHBondContact O-N 3.16Š| ||
| 114 | D | 40.3 | Very low | 50.6 | Low | 155 Ų | 155 | 130.1 Ų | 130.1 | 83% | 0.829 | 73% | 0.732 | S | S | * | * | trans | -111.9 | 91.3 | 139.6 | -97.2 | -28.1 | 0 | 0 | 0 | 104.2 | T112 | T112-D114 PolarHBondContact O-N 2.93Š| ||
| 115 | D | 43.3 | Very low | 49.6 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | trans | 169.2 | 65.7 | 154.8 | -89.5 | -23.8 | 0 | 0 | 0 | 110.3 | ||||
| 116 | D | 44.6 | Very low | 49.3 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 65% | 0.652 | 75% | 0.751 | S | S | * | * | trans | -96.1 | 28 | 171.7 | -95.8 | -28.2 | 0 | 0 | 0 | 113 | ||||
| 117 | E | 49.3 | Very low | 49.1 | Very low | 176 Ų | 176 | 132.1 Ų | 132.1 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -106.9 | -13.3 | 175 | -81.6 | -164.8 | 162.6 | 0 | 0 | 115.8 | ||
| 118 | D | 46.8 | Very low | 49.3 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 57% | 0.567 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -107.3 | 2.8 | -169.3 | -88.7 | -26.1 | 0 | 0 | 0 | 116.5 | T120 R121 | D118-T120 VanDerWaalsContact C-N 3.32Å; D118-T120 PolarHBondContact O-N 2.99Å; D118-R121 IonicContact OD1-CZ 3.15Å; D118-R121 IonicContact OD1-NE 3.99Å; D118-R121 IonicContact OD1-NH2 3.93Å |
| 119 | K | 49.9 | Very low | 49.8 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 74% | 0.735 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 3.7 | -179.6 | -72.7 | 176.5 | -171.3 | 141.8 | 0 | 115.3 | ||
| 120 | T | 52 | Low | 51 | Low | 131 Ų | 131 | 138.7 Ų | 138.7 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | 31.8 | -176.1 | -12.8 | 0 | 0 | 0 | 0 | 114.5 | D118 | D118-T120 VanDerWaalsContact C-N 3.32Å; D118-T120 PolarHBondContact O-N 2.99Å |
| 121 | R | 51.5 | Low | 52.2 | Low | 207 Ų | 207 | 139.9 Ų | 139.9 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | trans | -97.8 | 88.6 | 169 | -64.6 | -169.4 | -172 | 174.4 | 10.2 | 110.5 | D118 | D118-R121 IonicContact OD1-CZ 3.15Å; D118-R121 IonicContact OD1-NE 3.99Å; D118-R121 IonicContact OD1-NH2 3.93Å | ||
| 122 | G | 52.6 | Low | 53.9 | Low | 65 Ų | 65 | 140 Ų | 140 | 67% | 0.67 | 74% | 0.735 | S | S | * | * | trans | -53.1 | 147.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A124 | G122-A124 PolarHBondContact O-N 3.45Š| ||
| 123 | A | 59.5 | Low | 55.8 | Low | 111 Ų | 111 | 134.8 Ų | 134.8 | 92% | 0.917 | 70% | 0.7 | S | S | * | * | trans | -41.8 | 96.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 124 | A | 58.3 | Low | 57.6 | Low | 84 Ų | 84 | 134.8 Ų | 134.8 | 69% | 0.694 | 70% | 0.696 | S | S | * | * | trans | -84.6 | 132.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | G122 Q126 | G122-A124 PolarHBondContact O-N 3.45Å; A124-Q126 PolarHBondContact O-N 3.44Å | ||
| 125 | L | 55.7 | Low | 59.5 | Low | 161 Ų | 161 | 131.4 Ų | 131.4 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | trans | -50.6 | 124 | 177.8 | -64.1 | 164.1 | 0 | 0 | 0 | 111.1 | H127 | L125-H127 PolarHBondContact O-N 3.06Š| ||
| 126 | Q | 61.8 | Low | 61.2 | Low | 174 Ų | 174 | 127.1 Ų | 127.1 | 81% | 0.813 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 7.2 | -164.7 | -66.9 | -178.9 | -11.5 | 0 | 0 | 116.7 | A124 | A124-Q126 PolarHBondContact O-N 3.44Š|
| 127 | H | 57.3 | Low | 62.9 | Low | 163 Ų | 163 | 122.9 Ų | 122.9 | 76% | 0.755 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.1 | 30 | -169.6 | -65 | -89.7 | 0 | 0 | 0 | 114.8 | L125 | L125-H127 PolarHBondContact O-N 3.06Š|
| 128 | R | 61.5 | Low | 64.6 | Low | 191 Ų | 191 | 118.8 Ų | 118.8 | 72% | 0.721 | 65% | 0.652 | S | S | * | * | trans | -103.9 | 84.9 | 166.3 | -79.8 | -176.2 | 149.9 | -169.6 | -3.2 | 110.2 | Y130 | R128-Y130 HydrophobicContact CB-CE2 4.05Å; R128-Y130 PolarHBondContact NH1-OH 3.34Å; R128-Y130 PolarHBondContact O-N 3.45Å | ||
| 129 | H | 63.4 | Low | 66.4 | Low | 174 Ų | 174 | 115.7 Ų | 115.7 | 81% | 0.806 | 65% | 0.646 | S | S | * | * | trans | -80.2 | 99.4 | 166.9 | -63.6 | -70.9 | 0 | 0 | 0 | 108.8 | ||||
| 130 | Y | 65.4 | Low | 68.2 | Low | 165 Ų | 165 | 111 Ų | 111 | 65% | 0.647 | 63% | 0.631 | S | S | * | * | trans | -72.3 | 141.2 | 166.2 | -67.5 | -81 | 0 | 0 | 0 | 109 | R128 S132 | R128-Y130 HydrophobicContact CB-CE2 4.05Å; R128-Y130 PolarHBondContact NH1-OH 3.34Å; R128-Y130 PolarHBondContact O-N 3.45Å; Y130-S132 PolarHBondContact O-N 3.36Å | ||
| 131 | L | 68.3 | Low | 69.7 | Low | 105 Ų | 105 | 108.6 Ų | 108.6 | 55% | 0.55 | 62% | 0.618 | S | S | . | * | trans | -58.4 | 110 | 170.5 | -170 | 67 | 0 | 0 | 0 | 108.1 | Y133 | L131-Y133 HydrophobicContact CB-CE1 4.32Å; L131-Y133 HydrophobicContact CD2-CD1 4.34Å; L131-Y133 HydrophobicContact CD2-CE1 3.64Å; L131-Y133 HydrophobicContact CG-CD1 4.46Å; L131-Y133 HydrophobicContact CG-CE1 4.07Å; L131-Y133 PolarHBondContact O-N 2.89Å; L131-Y133 VanDerWaalsContact O-N 3.17Å | ||
| 132 | S | 70.2 | Confident | 71.2 | Confident | 96 Ų | 96 | 101.9 Ų | 101.9 | 67% | 0.671 | 60% | 0.602 | S | S | * | * | trans | -74.3 | 107 | 177.1 | 56.8 | 0 | 0 | 0 | 0 | 108.1 | Y130 E134 | Y130-S132 PolarHBondContact O-N 3.36Å; S132-E134 PolarHBondContact O-N 3.14Å | ||
| 133 | Y | 78 | Confident | 72.8 | Confident | 37 Ų | 37 | 103.7 Ų | 103.7 | 15% | 0.145 | 59% | 0.593 | C | S | . | * | trans | -70 | 28.3 | 176.3 | -58.9 | -60.9 | 0 | 0 | 0 | 113.2 | L131 G135 V136 R144 E145 Y148 | L131-Y133 HydrophobicContact CB-CE1 4.32Å; L131-Y133 HydrophobicContact CD2-CD1 4.34Å; L131-Y133 HydrophobicContact CD2-CE1 3.64Å; L131-Y133 HydrophobicContact CG-CD1 4.46Å; L131-Y133 HydrophobicContact CG-CE1 4.07Å; L131-Y133 PolarHBondContact O-N 2.89Å; L131-Y133 VanDerWaalsContact O-N 3.17Å; Y133-G135 PolarHBondContact O-N 2.98Å; Y133-V136 WeakPolarHBondContact O-CA 3.32Å; Y133-V136 VanDerWaalsContact O-CB 3.23Å; Y133-V136 WeakPolarHBondContact O-CB 3.43Å; Y133-V136 WeakPolarHBondContact O-CG2 3.34Å; Y133-V136 PolarHBondContact O-N 3.48Å; Y133-R144 HydrophobicContact CD2-CB 3.6Å; Y133-R144 HydrophobicContact CE2-CB 3.85Å; Y133-R144 HydrophobicContact CG-CB 4.26Å; Y133-E145 VanDerWaalsContact CE1-CA 3.46Å; Y133-E145 HydrophobicContact CE1-CB 3.92Å; Y133-E145 HydrophobicContact CE1-CG 3.99Å; Y133-E145 VanDerWaalsContact OH-CB 3.26Å; Y133-E145 WeakPolarHBondContact OH-CB 3.48Å; Y133-E145 WeakPolarHBondContact OH-CG 3.38Å; Y133-Y148 VanDerWaalsContact CD1-CB 3.43Å; Y133-Y148 AromaticContact CD1-CD1 3.64Å; Y133-Y148 HydrophobicContact CD1-CD1 3.64Å; Y133-Y148 HydrophobicContact CD1-CD2 4.38Å; Y133-Y148 HydrophobicContact CD1-CE1 4.48Å; Y133-Y148 AromaticContact CD1-CG 3.57Å; Y133-Y148 HydrophobicContact CD1-CG 3.57Å; Y133-Y148 HydrophobicContact CE1-CD1 4.32Å; Y133-Y148 HydrophobicContact CG-CG 4.25Å; Y133-Y148 WeakPolarHBondContact O-CD2 3.39Å | ||
| 134 | E | 80.5 | Confident | 74.1 | Confident | 112 Ų | 112 | 102.8 Ų | 102.8 | 52% | 0.523 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 52.6 | 26.4 | -177.5 | -58.1 | -179.2 | 170.3 | 0 | 0 | 114.1 | S132 V136 Y148 R155 | S132-E134 PolarHBondContact O-N 3.14Å; E134-V136 HydrophobicContact CB-CG2 4.32Å; E134-V136 PolarHBondContact O-N 2.95Å; E134-Y148 HydrophobicContact CB-CE2 4.13Å; E134-Y148 HydrophobicContact CG-CE2 3.83Å; E134-Y148 PolarHBondContact OE1-OH 2.62Å; E134-R155 IonicContact OE1-NH1 3.24Å; E134-R155 IonicContact OE2-CZ 3.84Å; E134-R155 IonicContact OE2-NH1 3.56Å; E134-R155 PolarHBondContact OE2-NH1 3.41Å; E134-R155 IonicContact OE2-NH2 3.31Å; E134-R155 PolarHBondContact OE2-NH2 3.41Å |
| 135 | G | 79.9 | Confident | 75.4 | Confident | 83 Ų | 83 | 103.7 Ų | 103.7 | 86% | 0.856 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.4 | 8.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y133 | Y133-G135 PolarHBondContact O-N 2.98Š|
| 136 | V | 78.6 | Confident | 77 | Confident | 37 Ų | 37 | 105.6 Ų | 105.6 | 22% | 0.224 | 55% | 0.552 | C | S | . | * | trans | -87.7 | 121.5 | -177.8 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | Y133 E134 Y148 V151 | Y133-V136 WeakPolarHBondContact O-CA 3.32Å; Y133-V136 VanDerWaalsContact O-CB 3.23Å; Y133-V136 WeakPolarHBondContact O-CB 3.43Å; Y133-V136 WeakPolarHBondContact O-CG2 3.34Å; Y133-V136 PolarHBondContact O-N 3.48Å; E134-V136 HydrophobicContact CB-CG2 4.32Å; E134-V136 PolarHBondContact O-N 2.95Å; V136-Y148 HydrophobicContact CB-CD2 4.34Å; V136-V151 HydrophobicContact CG1-CB 4.31Å; V136-V151 HydrophobicContact CG1-CG1 4.46Å; V136-V151 HydrophobicContact CG1-CG2 3.8Å | ||
| 137 | G | 81.3 | Confident | 78.2 | Confident | 33 Ų | 33 | 101.2 Ų | 101.2 | 34% | 0.34 | 53% | 0.532 | S | S | . | . | trans | 97.6 | 156.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.7 | R144 | G137-R144 WeakPolarHBondContact O-CD 3.49Š| ||
| 138 | S | 83.2 | Confident | 79.8 | Confident | 90 Ų | 90 | 94.9 Ų | 94.9 | 63% | 0.629 | 50% | 0.501 | S | S | * | . | trans | -124.9 | 157.5 | 179.9 | 61.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 139 | G | 86 | Confident | 81.1 | Confident | 42 Ų | 42 | 94.2 Ų | 94.2 | 43% | 0.433 | 50% | 0.499 | S | S | . | . | S | Bend | trans | 102.5 | -155.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R144 | G139-R144 PolarHBondContact O-NE 3.43Å; G139-R144 PolarHBondContact O-NH2 3.19Å; G139-R144 VanDerWaalsContact O-NH2 3.11Å |
| 140 | T | 87.1 | Confident | 82.4 | Confident | 69 Ų | 69 | 91.2 Ų | 91.2 | 42% | 0.423 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -68 | 156.6 | -174.5 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | S142 Q143 R144 | T140-S142 PolarHBondContact O-N 3.44Å; T140-S142 VanDerWaalsContact O-N 3.13Å; T140-S142 PolarHBondContact OG1-OG 3.27Å; T140-Q143 PolarHBondContact O-N 3.44Å; T140-Q143 WeakPolarHBondContact OG1-CG 3.48Å; T140-Q143 PolarHBondContact OG1-OE1 2.9Å; T140-R144 PolarHBondContact O-N 2.96Å |
| 141 | P | 83.9 | Confident | 83.7 | Confident | 82 Ų | 82 | 85.3 Ų | 85.3 | 53% | 0.532 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -52.4 | -35 | 180 | -29.5 | 36.5 | 0 | 0 | 0 | 114.8 | E145 | P141-E145 PolarHBondContact O-N 2.89Å |
| 142 | S | 82.3 | Confident | 84.8 | Confident | 65 Ų | 65 | 87.2 Ų | 87.2 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -76.1 | -31.1 | 177.9 | 58.3 | 0 | 0 | 0 | 0 | 113.5 | T140 R146 | T140-S142 PolarHBondContact O-N 3.44Å; T140-S142 VanDerWaalsContact O-N 3.13Å; T140-S142 PolarHBondContact OG1-OG 3.27Å; S142-R146 WeakPolarHBondContact O-CG 3.36Å; S142-R146 PolarHBondContact O-N 2.91Å |
| 143 | Q | 87.7 | Confident | 86 | Confident | 103 Ų | 103 | 86.7 Ų | 86.7 | 48% | 0.481 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.8 | -43.3 | 172.6 | -72.7 | 170.6 | -16.3 | 0 | 0 | 110.8 | T140 E145 R146 Q147 | T140-Q143 PolarHBondContact O-N 3.44Å; T140-Q143 WeakPolarHBondContact OG1-CG 3.48Å; T140-Q143 PolarHBondContact OG1-OE1 2.9Å; Q143-E145 VanDerWaalsContact C-N 3.34Å; Q143-E145 PolarHBondContact O-N 3.2Å; Q143-R146 PolarHBondContact O-N 3.45Å; Q143-Q147 WeakPolarHBondContact O-CG 3.49Å; Q143-Q147 PolarHBondContact O-N 3.35Å; Q143-Q147 VanDerWaalsContact O-N 3.1Å |
| 144 | R | 86.1 | Confident | 86.7 | Confident | 92 Ų | 92 | 88.3 Ų | 88.3 | 35% | 0.347 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64 | -37.6 | 174.9 | -72.5 | -172 | -81 | -142.1 | -4.2 | 112.7 | Y133 G137 G139 T140 R146 Q147 Y148 | Y133-R144 HydrophobicContact CD2-CB 3.6Å; Y133-R144 HydrophobicContact CE2-CB 3.85Å; Y133-R144 HydrophobicContact CG-CB 4.26Å; G137-R144 WeakPolarHBondContact O-CD 3.49Å; G139-R144 PolarHBondContact O-NE 3.43Å; G139-R144 PolarHBondContact O-NH2 3.19Å; G139-R144 VanDerWaalsContact O-NH2 3.11Å; T140-R144 PolarHBondContact O-N 2.96Å; R144-R146 PolarHBondContact O-N 2.95Å; R144-Q147 PolarHBondContact O-N 3.49Å; R144-Y148 VanDerWaalsContact O-CB 3.31Å; R144-Y148 WeakPolarHBondContact O-CB 3.42Å; R144-Y148 PolarHBondContact O-N 2.95Å |
| 145 | E | 85.4 | Confident | 87.4 | Confident | 103 Ų | 103 | 87.9 Ų | 87.9 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58 | -47.1 | 173.7 | -165.2 | -177.3 | 170 | 0 | 0 | 112.5 | Y133 P141 Q143 Y148 R149 | Y133-E145 VanDerWaalsContact CE1-CA 3.46Å; Y133-E145 HydrophobicContact CE1-CB 3.92Å; Y133-E145 HydrophobicContact CE1-CG 3.99Å; Y133-E145 VanDerWaalsContact OH-CB 3.26Å; Y133-E145 WeakPolarHBondContact OH-CB 3.48Å; Y133-E145 WeakPolarHBondContact OH-CG 3.38Å; P141-E145 PolarHBondContact O-N 2.89Å; Q143-E145 VanDerWaalsContact C-N 3.34Å; Q143-E145 PolarHBondContact O-N 3.2Å; E145-Y148 PolarHBondContact O-N 3.23Å; E145-R149 VanDerWaalsContact O-CB 3.31Å; E145-R149 WeakPolarHBondContact O-CB 3.43Å; E145-R149 PolarHBondContact O-N 2.74Å |
| 146 | R | 88.4 | Confident | 88.1 | Confident | 201 Ų | 201 | 86.3 Ų | 86.3 | 76% | 0.758 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.2 | -43.6 | 178.8 | -70 | 177.3 | -175.7 | -166.6 | 1.4 | 111.6 | S142 Q143 R144 R149 Q150 | S142-R146 WeakPolarHBondContact O-CG 3.36Å; S142-R146 PolarHBondContact O-N 2.91Å; Q143-R146 PolarHBondContact O-N 3.45Å; R144-R146 PolarHBondContact O-N 2.95Å; R146-R149 PolarHBondContact O-N 2.77Å; R146-Q150 PolarHBondContact O-N 2.8Å |
| 147 | Q | 88.9 | Confident | 88.9 | Confident | 82 Ų | 82 | 87 Ų | 87 | 38% | 0.383 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 178.2 | -70.9 | 173.7 | -11.8 | 0 | 0 | 111.8 | Q143 R144 R149 Q150 V151 | Q143-Q147 WeakPolarHBondContact O-CG 3.49Å; Q143-Q147 PolarHBondContact O-N 3.35Å; Q143-Q147 VanDerWaalsContact O-N 3.1Å; R144-Q147 PolarHBondContact O-N 3.49Å; Q147-R149 VanDerWaalsContact C-N 3.29Å; Q147-R149 PolarHBondContact O-N 2.84Å; Q147-Q150 WeakPolarHBondContact O-CB 3.49Å; Q147-Q150 PolarHBondContact O-N 3.05Å; Q147-Q150 VanDerWaalsContact O-N 3.13Å; Q147-V151 PolarHBondContact O-N 3.26Å |
| 148 | Y | 90.5 | Very high | 89.5 | Confident | 30 Ų | 30 | 91.7 Ų | 91.7 | 12% | 0.118 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 176.3 | -175.7 | -109.2 | 0 | 0 | 0 | 112 | Y133 E134 V136 R144 E145 Q150 V151 R152 | Y133-Y148 VanDerWaalsContact CD1-CB 3.43Å; Y133-Y148 AromaticContact CD1-CD1 3.64Å; Y133-Y148 HydrophobicContact CD1-CD1 3.64Å; Y133-Y148 HydrophobicContact CD1-CD2 4.38Å; Y133-Y148 HydrophobicContact CD1-CE1 4.48Å; Y133-Y148 AromaticContact CD1-CG 3.57Å; Y133-Y148 HydrophobicContact CD1-CG 3.57Å; Y133-Y148 HydrophobicContact CE1-CD1 4.32Å; Y133-Y148 HydrophobicContact CG-CG 4.25Å; Y133-Y148 WeakPolarHBondContact O-CD2 3.39Å; E134-Y148 HydrophobicContact CB-CE2 4.13Å; E134-Y148 HydrophobicContact CG-CE2 3.83Å; E134-Y148 PolarHBondContact OE1-OH 2.62Å; V136-Y148 HydrophobicContact CB-CD2 4.34Å; R144-Y148 VanDerWaalsContact O-CB 3.31Å; R144-Y148 WeakPolarHBondContact O-CB 3.42Å; R144-Y148 PolarHBondContact O-N 2.95Å; E145-Y148 PolarHBondContact O-N 3.23Å; Y148-Q150 VanDerWaalsContact C-N 3.32Å; Y148-Q150 PolarHBondContact O-N 2.95Å; Y148-V151 PolarHBondContact O-N 2.89Å; Y148-R152 WeakPolarHBondContact O-CB 3.36Å; Y148-R152 PolarHBondContact O-N 3.49Å |
| 149 | R | 89 | Confident | 90.1 | Very high | 178 Ų | 178 | 93.9 Ų | 93.9 | 67% | 0.672 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.4 | -41.1 | 173.3 | -173.1 | 174.6 | 180 | 169.3 | -1 | 111.5 | E145 R146 Q147 V153 | E145-R149 VanDerWaalsContact O-CB 3.31Å; E145-R149 WeakPolarHBondContact O-CB 3.43Å; E145-R149 PolarHBondContact O-N 2.74Å; R146-R149 PolarHBondContact O-N 2.77Å; Q147-R149 VanDerWaalsContact C-N 3.29Å; Q147-R149 PolarHBondContact O-N 2.84Å; R149-V153 WeakPolarHBondContact O-CG2 3.48Å; R149-V153 PolarHBondContact O-N 3.39Å |
| 150 | Q | 90.4 | Very high | 90.6 | Very high | 111 Ų | 111 | 95.3 Ų | 95.3 | 52% | 0.519 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63 | -52 | 174.9 | -171.3 | 63.4 | 40.8 | 0 | 0 | 111.3 | R146 Q147 Y148 R152 V153 D154 | R146-Q150 PolarHBondContact O-N 2.8Å; Q147-Q150 WeakPolarHBondContact O-CB 3.49Å; Q147-Q150 PolarHBondContact O-N 3.05Å; Q147-Q150 VanDerWaalsContact O-N 3.13Å; Y148-Q150 VanDerWaalsContact C-N 3.32Å; Y148-Q150 PolarHBondContact O-N 2.95Å; Q150-R152 VanDerWaalsContact C-N 3.25Å; Q150-R152 PolarHBondContact O-N 2.96Å; Q150-V153 WeakPolarHBondContact O-CA 3.48Å; Q150-V153 WeakPolarHBondContact O-CB 3.37Å; Q150-V153 PolarHBondContact O-N 3.11Å; Q150-D154 PolarHBondContact NE2-OD1 2.9Å; Q150-D154 VanDerWaalsContact O-CG 3.29Å; Q150-D154 PolarHBondContact O-N 3.37Å |
| 151 | V | 92.3 | Very high | 90.9 | Very high | 41 Ų | 41 | 97.3 Ų | 97.3 | 25% | 0.248 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -60.1 | -35.7 | 179.7 | 170.5 | 0 | 0 | 0 | 0 | 112.2 | V136 Q147 Y148 V153 D154 R155 | V136-V151 HydrophobicContact CG1-CB 4.31Å; V136-V151 HydrophobicContact CG1-CG1 4.46Å; V136-V151 HydrophobicContact CG1-CG2 3.8Å; Q147-V151 PolarHBondContact O-N 3.26Å; Y148-V151 PolarHBondContact O-N 2.89Å; V151-V153 VanDerWaalsContact C-N 3.34Å; V151-D154 PolarHBondContact O-N 3.49Å; V151-R155 HydrophobicContact CG1-CG 4.45Å; V151-R155 WeakPolarHBondContact O-CB 3.47Å; V151-R155 WeakPolarHBondContact O-CG 3.38Å; V151-R155 PolarHBondContact O-N 3.44Å |
| 152 | R | 91.6 | Very high | 91.3 | Very high | 144 Ų | 144 | 95.8 Ų | 95.8 | 54% | 0.543 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 175.6 | -154.6 | -157.5 | -53.8 | 171.4 | 1.8 | 111.9 | Y148 Q150 A156 | Y148-R152 WeakPolarHBondContact O-CB 3.36Å; Y148-R152 PolarHBondContact O-N 3.49Å; Q150-R152 VanDerWaalsContact C-N 3.25Å; Q150-R152 PolarHBondContact O-N 2.96Å; R152-A156 WeakPolarHBondContact O-CB 3.46Å; R152-A156 PolarHBondContact O-N 2.94Å |
| 153 | V | 94.7 | Very high | 91.9 | Very high | 85 Ų | 85 | 99.4 Ų | 99.4 | 52% | 0.515 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 175.8 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | R149 Q150 V151 R155 A156 A157 | R149-V153 WeakPolarHBondContact O-CG2 3.48Å; R149-V153 PolarHBondContact O-N 3.39Å; Q150-V153 WeakPolarHBondContact O-CA 3.48Å; Q150-V153 WeakPolarHBondContact O-CB 3.37Å; Q150-V153 PolarHBondContact O-N 3.11Å; V151-V153 VanDerWaalsContact C-N 3.34Å; V153-R155 PolarHBondContact O-N 2.9Å; V153-A156 WeakPolarHBondContact O-CB 3.44Å; V153-A156 PolarHBondContact O-N 3.24Å; V153-A157 PolarHBondContact O-N 3.45Å |
| 154 | D | 93.8 | Very high | 92.1 | Very high | 71 Ų | 71 | 101.6 Ų | 101.6 | 38% | 0.38 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | -179.9 | -59.6 | -24.9 | 0 | 0 | 0 | 111 | Q150 V151 A156 A157 E158 | Q150-D154 PolarHBondContact NE2-OD1 2.9Å; Q150-D154 VanDerWaalsContact O-CG 3.29Å; Q150-D154 PolarHBondContact O-N 3.37Å; V151-D154 PolarHBondContact O-N 3.49Å; D154-A156 VanDerWaalsContact C-N 3.34Å; D154-A156 PolarHBondContact O-N 2.87Å; D154-A157 WeakPolarHBondContact O-CB 3.37Å; D154-A157 PolarHBondContact O-N 3.45Å; D154-A157 VanDerWaalsContact O-N 3.12Å; D154-E158 WeakPolarHBondContact O-CG 3.4Å; D154-E158 PolarHBondContact O-N 2.75Å |
| 155 | R | 94 | Very high | 92.3 | Very high | 104 Ų | 104 | 102.7 Ų | 102.7 | 39% | 0.392 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 174.3 | -73.7 | 179.8 | -176.3 | 173 | 4.7 | 112.8 | E134 V151 V153 A157 E158 Q159 | E134-R155 IonicContact OE1-NH1 3.24Å; E134-R155 IonicContact OE2-CZ 3.84Å; E134-R155 IonicContact OE2-NH1 3.56Å; E134-R155 PolarHBondContact OE2-NH1 3.41Å; E134-R155 IonicContact OE2-NH2 3.31Å; E134-R155 PolarHBondContact OE2-NH2 3.41Å; V151-R155 HydrophobicContact CG1-CG 4.45Å; V151-R155 WeakPolarHBondContact O-CB 3.47Å; V151-R155 WeakPolarHBondContact O-CG 3.38Å; V151-R155 PolarHBondContact O-N 3.44Å; V153-R155 PolarHBondContact O-N 2.9Å; R155-A157 VanDerWaalsContact C-N 3.3Å; R155-A157 PolarHBondContact O-N 3.4Å; R155-E158 PolarHBondContact O-N 3.34Å; R155-Q159 VanDerWaalsContact O-CG 3.3Å; R155-Q159 WeakPolarHBondContact O-CG 3.49Å; R155-Q159 PolarHBondContact O-N 3.06Å |
| 156 | A | 94.3 | Very high | 92.6 | Very high | 50 Ų | 50 | 105.2 Ų | 105.2 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | R152 V153 D154 Q159 V160 | R152-A156 WeakPolarHBondContact O-CB 3.46Å; R152-A156 PolarHBondContact O-N 2.94Å; V153-A156 WeakPolarHBondContact O-CB 3.44Å; V153-A156 PolarHBondContact O-N 3.24Å; D154-A156 VanDerWaalsContact C-N 3.34Å; D154-A156 PolarHBondContact O-N 2.87Å; A156-Q159 PolarHBondContact O-N 3.28Å; A156-V160 WeakPolarHBondContact O-CG2 3.35Å; A156-V160 PolarHBondContact O-N 3.05Å; A156-V160 VanDerWaalsContact O-N 3.09Å |
| 157 | A | 95.6 | Very high | 92.6 | Very high | 51 Ų | 51 | 99.1 Ų | 99.1 | 42% | 0.421 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | V153 D154 R155 Q159 V160 L161 | V153-A157 PolarHBondContact O-N 3.45Å; D154-A157 WeakPolarHBondContact O-CB 3.37Å; D154-A157 PolarHBondContact O-N 3.45Å; D154-A157 VanDerWaalsContact O-N 3.12Å; R155-A157 VanDerWaalsContact C-N 3.3Å; R155-A157 PolarHBondContact O-N 3.4Å; A157-Q159 VanDerWaalsContact C-N 3.33Å; A157-Q159 PolarHBondContact O-N 3.31Å; A157-V160 PolarHBondContact O-N 3.43Å; A157-L161 WeakPolarHBondContact O-CG 3.45Å; A157-L161 PolarHBondContact O-N 2.78Å |
| 158 | E | 95.3 | Very high | 92.3 | Very high | 131 Ų | 131 | 101.8 Ų | 101.8 | 61% | 0.612 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.6 | -39.7 | 175.5 | -71.6 | 176.8 | 175 | 0 | 0 | 112.6 | D154 R155 L161 S162 | D154-E158 WeakPolarHBondContact O-CG 3.4Å; D154-E158 PolarHBondContact O-N 2.75Å; R155-E158 PolarHBondContact O-N 3.34Å; E158-L161 PolarHBondContact O-N 3.08Å; E158-S162 WeakPolarHBondContact O-CB 3.31Å; E158-S162 PolarHBondContact O-N 3.45Å; E158-S162 PolarHBondContact O-OG 3.45Å |
| 159 | Q | 95 | Very high | 91.9 | Very high | 136 Ų | 136 | 105.6 Ų | 105.6 | 64% | 0.636 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.8 | -41.4 | 175.4 | -74.8 | 176.9 | 11.7 | 0 | 0 | 112.2 | R155 A156 A157 S162 Y163 | R155-Q159 VanDerWaalsContact O-CG 3.3Å; R155-Q159 WeakPolarHBondContact O-CG 3.49Å; R155-Q159 PolarHBondContact O-N 3.06Å; A156-Q159 PolarHBondContact O-N 3.28Å; A157-Q159 VanDerWaalsContact C-N 3.33Å; A157-Q159 PolarHBondContact O-N 3.31Å; Q159-S162 WeakPolarHBondContact CA-OG 3.48Å; Q159-S162 PolarHBondContact O-OG 3.3Å; Q159-Y163 WeakPolarHBondContact O-CB 3.31Å; Q159-Y163 PolarHBondContact O-N 3.12Å |
| 160 | V | 95.7 | Very high | 91.6 | Very high | 73 Ų | 73 | 104.7 Ų | 104.7 | 44% | 0.442 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 175.9 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | A156 A157 Y163 R164 | A156-V160 WeakPolarHBondContact O-CG2 3.35Å; A156-V160 PolarHBondContact O-N 3.05Å; A156-V160 VanDerWaalsContact O-N 3.09Å; A157-V160 PolarHBondContact O-N 3.43Å; V160-Y163 PolarHBondContact O-N 2.81Å; V160-R164 WeakPolarHBondContact O-CG 3.23Å; V160-R164 PolarHBondContact O-N 3.42Å |
| 161 | L | 93.4 | Very high | 91.1 | Very high | 111 Ų | 111 | 101.7 Ų | 101.7 | 58% | 0.581 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.2 | -47 | 178.2 | -71.8 | 174.5 | 0 | 0 | 0 | 111.7 | A157 E158 Y163 R164 Q165 | A157-L161 WeakPolarHBondContact O-CG 3.45Å; A157-L161 PolarHBondContact O-N 2.78Å; E158-L161 PolarHBondContact O-N 3.08Å; L161-Y163 VanDerWaalsContact C-N 3.32Å; L161-Y163 PolarHBondContact O-N 3.37Å; L161-R164 PolarHBondContact O-N 2.92Å; L161-Q165 WeakPolarHBondContact O-CB 3.36Å; L161-Q165 PolarHBondContact O-N 3.28Å |
| 162 | S | 93.7 | Very high | 90.3 | Very high | 50 Ų | 50 | 102.8 Ų | 102.8 | 35% | 0.35 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -35.6 | 177.2 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | E158 Q159 R166 | E158-S162 WeakPolarHBondContact O-CB 3.31Å; E158-S162 PolarHBondContact O-N 3.45Å; E158-S162 PolarHBondContact O-OG 3.45Å; Q159-S162 WeakPolarHBondContact CA-OG 3.48Å; Q159-S162 PolarHBondContact O-OG 3.3Å; S162-R166 WeakPolarHBondContact O-CG 3.31Å; S162-R166 PolarHBondContact O-N 3.33Å |
| 163 | Y | 93.4 | Very high | 89.8 | Confident | 141 Ų | 141 | 99.1 Ų | 99.1 | 55% | 0.553 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.3 | -49.3 | 171.8 | -179.6 | -93.7 | 0 | 0 | 0 | 111.7 | Q159 V160 L161 Q165 R166 E167 | Q159-Y163 WeakPolarHBondContact O-CB 3.31Å; Q159-Y163 PolarHBondContact O-N 3.12Å; V160-Y163 PolarHBondContact O-N 2.81Å; L161-Y163 VanDerWaalsContact C-N 3.32Å; L161-Y163 PolarHBondContact O-N 3.37Å; Y163-Q165 VanDerWaalsContact C-N 3.3Å; Y163-Q165 PolarHBondContact O-N 3.23Å; Y163-R166 PolarHBondContact O-N 2.93Å; Y163-E167 HydrophobicContact CD1-CG 4.17Å; Y163-E167 HydrophobicContact CE1-CG 3.68Å; Y163-E167 HydrophobicContact CE2-CG 4.49Å; Y163-E167 WeakPolarHBondContact O-CG 3.45Å; Y163-E167 PolarHBondContact O-N 2.85Å |
| 164 | R | 92.9 | Very high | 88.9 | Confident | 149 Ų | 149 | 97.6 Ų | 97.6 | 56% | 0.562 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.2 | -43.8 | 176.8 | -75.5 | 178.6 | 178.2 | 174.9 | 0.4 | 111.6 | V160 L161 R166 E167 H168 | V160-R164 WeakPolarHBondContact O-CG 3.23Å; V160-R164 PolarHBondContact O-N 3.42Å; L161-R164 PolarHBondContact O-N 2.92Å; R164-R166 PolarHBondContact O-N 3.45Å; R164-E167 PolarHBondContact O-N 3.5Å; R164-H168 PolarHBondContact O-CD2 3.32Å; R164-H168 PolarHBondContact O-N 3.02Å |
| 165 | Q | 90.8 | Very high | 87.8 | Confident | 115 Ų | 115 | 99.3 Ų | 99.3 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 177.6 | -176.3 | 174.5 | -3.3 | 0 | 0 | 111.7 | L161 Y163 E167 H168 E169 | L161-Q165 WeakPolarHBondContact O-CB 3.36Å; L161-Q165 PolarHBondContact O-N 3.28Å; Y163-Q165 VanDerWaalsContact C-N 3.3Å; Y163-Q165 PolarHBondContact O-N 3.23Å; Q165-E167 VanDerWaalsContact C-N 3.32Å; Q165-E167 PolarHBondContact O-N 3.28Å; Q165-H168 PolarHBondContact O-N 2.81Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.43Å; Q165-E169 PolarHBondContact NE2-OE1 2.94Å; Q165-E169 VanDerWaalsContact NE2-OE1 3.17Å; Q165-E169 WeakPolarHBondContact O-CG 3.47Å; Q165-E169 PolarHBondContact O-N 3.27Å |
| 166 | R | 91.6 | Very high | 87 | Confident | 155 Ų | 155 | 96.2 Ų | 96.2 | 59% | 0.585 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.5 | -38.7 | 176.3 | -73.8 | 173.3 | 179.1 | 179.1 | 1.7 | 112.6 | S162 Y163 R164 E169 R170 | S162-R166 WeakPolarHBondContact O-CG 3.31Å; S162-R166 PolarHBondContact O-N 3.33Å; Y163-R166 PolarHBondContact O-N 2.93Å; R164-R166 PolarHBondContact O-N 3.45Å; R166-E169 PolarHBondContact O-N 3.23Å; R166-R170 VanDerWaalsContact O-CG 3.28Å; R166-R170 WeakPolarHBondContact O-CG 3.4Å; R166-R170 PolarHBondContact O-N 3.49Å |
| 167 | E | 88.3 | Confident | 86 | Confident | 74 Ų | 74 | 96.1 Ų | 96.1 | 35% | 0.346 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 175.6 | -71.8 | -63.7 | 101.8 | 0 | 0 | 111.6 | Y163 R164 Q165 R170 A171 | Y163-E167 HydrophobicContact CD1-CG 4.17Å; Y163-E167 HydrophobicContact CE1-CG 3.68Å; Y163-E167 HydrophobicContact CE2-CG 4.49Å; Y163-E167 WeakPolarHBondContact O-CG 3.45Å; Y163-E167 PolarHBondContact O-N 2.85Å; R164-E167 PolarHBondContact O-N 3.5Å; Q165-E167 VanDerWaalsContact C-N 3.32Å; Q165-E167 PolarHBondContact O-N 3.28Å; E167-R170 PolarHBondContact O-N 3.47Å; E167-R170 IonicContact OE1-CZ 3.78Å; E167-R170 IonicContact OE1-NE 3.81Å; E167-R170 IonicContact OE1-NH1 2.89Å; E167-R170 PolarHBondContact OE1-NH1 2.81Å; E167-A171 WeakPolarHBondContact O-CB 3.37Å; E167-A171 PolarHBondContact O-N 3.32Å |
| 168 | H | 82.1 | Confident | 84.6 | Confident | 138 Ų | 138 | 98.4 Ų | 98.4 | 64% | 0.639 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -41.7 | 174.4 | -75 | -62.6 | 0 | 0 | 0 | 112.4 | R164 Q165 A171 A172 | R164-H168 PolarHBondContact O-CD2 3.32Å; R164-H168 PolarHBondContact O-N 3.02Å; Q165-H168 PolarHBondContact O-N 2.81Å; H168-A171 PolarHBondContact O-N 3.26Å; H168-A172 WeakPolarHBondContact O-CB 3.46Å; H168-A172 PolarHBondContact O-N 3.02Å |
| 169 | E | 82.9 | Confident | 83.7 | Confident | 109 Ų | 109 | 95 Ų | 95 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 175.8 | -73.9 | 169.3 | -174.7 | 0 | 0 | 111.9 | Q165 R166 A173 | Q165-E169 WeakPolarHBondContact CG-OE1 3.43Å; Q165-E169 PolarHBondContact NE2-OE1 2.94Å; Q165-E169 VanDerWaalsContact NE2-OE1 3.17Å; Q165-E169 WeakPolarHBondContact O-CG 3.47Å; Q165-E169 PolarHBondContact O-N 3.27Å; R166-E169 PolarHBondContact O-N 3.23Å; E169-A173 WeakPolarHBondContact O-CB 3.4Å; E169-A173 PolarHBondContact O-N 3.46Å |
| 170 | R | 82.7 | Confident | 82.8 | Confident | 160 Ų | 160 | 95.4 Ų | 95.4 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | 174.6 | -73.5 | 174.4 | -169.5 | 167.3 | -2.7 | 112.4 | R166 E167 A173 A174 | R166-R170 VanDerWaalsContact O-CG 3.28Å; R166-R170 WeakPolarHBondContact O-CG 3.4Å; R166-R170 PolarHBondContact O-N 3.49Å; E167-R170 PolarHBondContact O-N 3.47Å; E167-R170 IonicContact OE1-CZ 3.78Å; E167-R170 IonicContact OE1-NE 3.81Å; E167-R170 IonicContact OE1-NH1 2.89Å; E167-R170 PolarHBondContact OE1-NH1 2.81Å; R170-A173 PolarHBondContact O-N 3.49Å; R170-A174 WeakPolarHBondContact O-CB 3.36Å; R170-A174 PolarHBondContact O-N 3.12Å |
| 171 | A | 79.6 | Confident | 81.8 | Confident | 48 Ų | 48 | 100.4 Ų | 100.4 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | E167 H168 A173 A174 D175 | E167-A171 WeakPolarHBondContact O-CB 3.37Å; E167-A171 PolarHBondContact O-N 3.32Å; H168-A171 PolarHBondContact O-N 3.26Å; A171-A173 VanDerWaalsContact C-N 3.33Å; A171-A173 PolarHBondContact O-N 2.9Å; A171-A174 PolarHBondContact O-N 2.91Å; A171-D175 WeakPolarHBondContact O-CB 3.48Å; A171-D175 PolarHBondContact O-N 3.28Å |
| 172 | A | 76.1 | Confident | 81.1 | Confident | 63 Ų | 63 | 98.6 Ų | 98.6 | 52% | 0.521 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -37.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H168 G176 | H168-A172 WeakPolarHBondContact O-CB 3.46Å; H168-A172 PolarHBondContact O-N 3.02Å; A172-G176 PolarHBondContact O-N 2.92Å |
| 173 | A | 79.1 | Confident | 80.5 | Confident | 67 Ų | 67 | 98.9 Ų | 98.9 | 55% | 0.554 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.5 | -38.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | E169 R170 A171 A177 | E169-A173 WeakPolarHBondContact O-CB 3.4Å; E169-A173 PolarHBondContact O-N 3.46Å; R170-A173 PolarHBondContact O-N 3.49Å; A171-A173 VanDerWaalsContact C-N 3.33Å; A171-A173 PolarHBondContact O-N 2.9Å; A173-A177 WeakPolarHBondContact O-CB 3.43Å; A173-A177 PolarHBondContact O-N 2.99Å |
| 174 | A | 76.5 | Confident | 80.1 | Confident | 53 Ų | 53 | 101.3 Ų | 101.3 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R170 A171 A177 L178 | R170-A174 WeakPolarHBondContact O-CB 3.36Å; R170-A174 PolarHBondContact O-N 3.12Å; A171-A174 PolarHBondContact O-N 2.91Å; A174-A177 PolarHBondContact O-N 3.13Å; A174-L178 PolarHBondContact O-N 2.84Å; A174-L178 VanDerWaalsContact O-N 3.13Å |
| 175 | D | 71.5 | Confident | 79.5 | Confident | 108 Ų | 108 | 100.6 Ų | 100.6 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.2 | -40.6 | 176.5 | -70.5 | -17 | 0 | 0 | 0 | 111.4 | A171 A177 L178 A179 | A171-D175 WeakPolarHBondContact O-CB 3.48Å; A171-D175 PolarHBondContact O-N 3.28Å; D175-A177 PolarHBondContact O-N 3.37Å; D175-L178 PolarHBondContact O-N 3.47Å; D175-A179 WeakPolarHBondContact O-CB 3.47Å; D175-A179 PolarHBondContact O-N 2.86Å |
| 176 | G | 76.4 | Confident | 79.1 | Confident | 38 Ų | 38 | 103.4 Ų | 103.4 | 39% | 0.392 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A172 L178 A179 E180 | A172-G176 PolarHBondContact O-N 2.92Å; G176-L178 PolarHBondContact O-N 2.89Å; G176-A179 PolarHBondContact O-N 3.45Å; G176-E180 WeakPolarHBondContact O-CB 3.4Å; G176-E180 PolarHBondContact O-N 2.88Å |
| 177 | A | 72.8 | Confident | 78.8 | Confident | 48 Ų | 48 | 98.2 Ų | 98.2 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67 | -35 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A173 A174 D175 R181 | A173-A177 WeakPolarHBondContact O-CB 3.43Å; A173-A177 PolarHBondContact O-N 2.99Å; A174-A177 PolarHBondContact O-N 3.13Å; D175-A177 PolarHBondContact O-N 3.37Å; A177-R181 WeakPolarHBondContact O-CG 3.49Å; A177-R181 PolarHBondContact O-N 3.03Å |
| 178 | L | 67.8 | Low | 78.6 | Confident | 100 Ų | 100 | 100.2 Ų | 100.2 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.3 | -47.2 | 172 | -88.7 | 152.5 | 0 | 0 | 0 | 111.3 | A174 D175 G176 E180 R181 D182 | A174-L178 PolarHBondContact O-N 2.84Å; A174-L178 VanDerWaalsContact O-N 3.13Å; D175-L178 PolarHBondContact O-N 3.47Å; G176-L178 PolarHBondContact O-N 2.89Å; L178-E180 VanDerWaalsContact C-N 3.32Å; L178-E180 PolarHBondContact O-N 3.36Å; L178-R181 PolarHBondContact O-N 3Å; L178-D182 PolarHBondContact O-N 3.41Å |
| 179 | A | 75.2 | Confident | 78.7 | Confident | 59 Ų | 59 | 100.9 Ų | 100.9 | 49% | 0.488 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D175 G176 D182 A183 | D175-A179 WeakPolarHBondContact O-CB 3.47Å; D175-A179 PolarHBondContact O-N 2.86Å; G176-A179 PolarHBondContact O-N 3.45Å; A179-D182 PolarHBondContact O-N 2.97Å; A179-A183 VanDerWaalsContact O-CB 3.31Å; A179-A183 WeakPolarHBondContact O-CB 3.49Å; A179-A183 PolarHBondContact O-N 3.06Å |
| 180 | E | 75.7 | Confident | 78.8 | Confident | 145 Ų | 145 | 100 Ų | 100 | 68% | 0.678 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -41.9 | 177.2 | -169.2 | -175.1 | 169.7 | 0 | 0 | 112.1 | G176 L178 A183 R184 | G176-E180 WeakPolarHBondContact O-CB 3.4Å; G176-E180 PolarHBondContact O-N 2.88Å; L178-E180 VanDerWaalsContact C-N 3.32Å; L178-E180 PolarHBondContact O-N 3.36Å; E180-A183 PolarHBondContact O-N 2.94Å; E180-R184 WeakPolarHBondContact O-CB 3.23Å; E180-R184 PolarHBondContact O-N 3.4Å |
| 181 | R | 74.8 | Confident | 79.1 | Confident | 177 Ų | 177 | 99 Ų | 99 | 67% | 0.668 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.3 | -46.1 | 175.8 | -74.1 | 175.3 | 180 | -174.4 | 1.7 | 111.3 | A177 L178 R184 Q185 | A177-R181 WeakPolarHBondContact O-CG 3.49Å; A177-R181 PolarHBondContact O-N 3.03Å; L178-R181 PolarHBondContact O-N 3Å; R181-R184 PolarHBondContact O-N 3.12Å; R181-Q185 WeakPolarHBondContact O-CG 3.28Å; R181-Q185 PolarHBondContact O-N 3.37Å |
| 182 | D | 79.9 | Confident | 79.4 | Confident | 74 Ų | 74 | 100.7 Ų | 100.7 | 40% | 0.396 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 177.5 | -82.2 | 8.5 | 0 | 0 | 0 | 111.7 | L178 A179 R184 Q185 R186 | L178-D182 PolarHBondContact O-N 3.41Å; A179-D182 PolarHBondContact O-N 2.97Å; D182-R184 VanDerWaalsContact C-N 3.31Å; D182-R184 PolarHBondContact O-N 3.32Å; D182-Q185 PolarHBondContact O-N 2.96Å; D182-R186 VanDerWaalsContact O-CG 3.29Å; D182-R186 WeakPolarHBondContact O-CG 3.35Å; D182-R186 PolarHBondContact O-N 3.46Å |
| 183 | A | 81.5 | Confident | 80 | Confident | 55 Ų | 55 | 100.7 Ų | 100.7 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A179 E180 R186 S187 | A179-A183 VanDerWaalsContact O-CB 3.31Å; A179-A183 WeakPolarHBondContact O-CB 3.49Å; A179-A183 PolarHBondContact O-N 3.06Å; E180-A183 PolarHBondContact O-N 2.94Å; A183-R186 PolarHBondContact O-N 2.94Å; A183-S187 WeakPolarHBondContact O-CB 3.48Å; A183-S187 PolarHBondContact O-N 3.29Å; A183-S187 PolarHBondContact O-OG 3.24Å |
| 184 | R | 83.2 | Confident | 80.6 | Confident | 193 Ų | 193 | 102.9 Ų | 102.9 | 73% | 0.728 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.7 | -45.9 | 175.8 | -172.2 | 174.6 | 179.3 | 164.3 | -0.4 | 111.6 | E180 R181 D182 S187 H188 | E180-R184 WeakPolarHBondContact O-CB 3.23Å; E180-R184 PolarHBondContact O-N 3.4Å; R181-R184 PolarHBondContact O-N 3.12Å; D182-R184 VanDerWaalsContact C-N 3.31Å; D182-R184 PolarHBondContact O-N 3.32Å; R184-S187 PolarHBondContact O-N 2.97Å; R184-S187 PolarHBondContact O-OG 3.19Å; R184-H188 WeakPolarHBondContact O-CB 3.3Å; R184-H188 PolarHBondContact O-N 3.01Å |
| 185 | Q | 81.8 | Confident | 81.3 | Confident | 134 Ų | 134 | 103.2 Ų | 103.2 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.5 | -44.4 | 177 | -71.6 | -177.7 | 11.6 | 0 | 0 | 112.1 | R181 D182 H188 K189 | R181-Q185 WeakPolarHBondContact O-CG 3.28Å; R181-Q185 PolarHBondContact O-N 3.37Å; D182-Q185 PolarHBondContact O-N 2.96Å; Q185-H188 PolarHBondContact O-N 2.76Å; Q185-K189 PolarHBondContact O-N 3.23Å |
| 186 | R | 82.3 | Confident | 82.3 | Confident | 173 Ų | 173 | 101.9 Ų | 101.9 | 65% | 0.653 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.5 | -46.7 | 175.3 | -69.7 | 174.4 | -168.9 | -174.8 | 5.6 | 111.3 | D182 A183 H188 K189 I190 | D182-R186 VanDerWaalsContact O-CG 3.29Å; D182-R186 WeakPolarHBondContact O-CG 3.35Å; D182-R186 PolarHBondContact O-N 3.46Å; A183-R186 PolarHBondContact O-N 2.94Å; R186-H188 VanDerWaalsContact C-N 3.31Å; R186-H188 PolarHBondContact O-N 2.93Å; R186-K189 PolarHBondContact O-N 2.96Å; R186-I190 VanDerWaalsContact O-CG1 3.3Å; R186-I190 WeakPolarHBondContact O-CG1 3.49Å; R186-I190 PolarHBondContact O-N 3.49Å |
| 187 | S | 83.9 | Confident | 83.1 | Confident | 46 Ų | 46 | 106.2 Ų | 106.2 | 32% | 0.322 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 178.3 | 78 | 0 | 0 | 0 | 0 | 112.3 | A183 R184 I190 K191 | A183-S187 WeakPolarHBondContact O-CB 3.48Å; A183-S187 PolarHBondContact O-N 3.29Å; A183-S187 PolarHBondContact O-OG 3.24Å; R184-S187 PolarHBondContact O-N 2.97Å; R184-S187 PolarHBondContact O-OG 3.19Å; S187-I190 PolarHBondContact O-N 3.41Å; S187-K191 VanDerWaalsContact O-CG 3.29Å; S187-K191 WeakPolarHBondContact O-CG 3.39Å; S187-K191 PolarHBondContact O-N 2.91Å |
| 188 | H | 84.7 | Confident | 84.1 | Confident | 117 Ų | 117 | 111.7 Ų | 111.7 | 54% | 0.542 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 176.5 | -177 | -101.7 | 0 | 0 | 0 | 111.2 | R184 Q185 R186 I190 K191 I192 | R184-H188 WeakPolarHBondContact O-CB 3.3Å; R184-H188 PolarHBondContact O-N 3.01Å; Q185-H188 PolarHBondContact O-N 2.76Å; R186-H188 VanDerWaalsContact C-N 3.31Å; R186-H188 PolarHBondContact O-N 2.93Å; H188-I190 PolarHBondContact O-N 3.04Å; H188-K191 PolarHBondContact O-N 3.32Å; H188-I192 WeakPolarHBondContact CE1-CD1 3.38Å; H188-I192 WeakPolarHBondContact ND1-CD1 3.2Å; H188-I192 WeakPolarHBondContact O-CG1 3.3Å; H188-I192 PolarHBondContact O-N 3.31Å |
| 189 | K | 83.8 | Confident | 85.4 | Confident | 151 Ų | 151 | 111.9 Ų | 111.9 | 66% | 0.657 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.9 | -45.4 | 175.4 | -171.7 | 175.6 | 180 | -179.2 | 0 | 111.6 | Q185 R186 K191 I192 T193 | Q185-K189 PolarHBondContact O-N 3.23Å; R186-K189 PolarHBondContact O-N 2.96Å; K189-K191 PolarHBondContact O-N 2.92Å; K189-I192 PolarHBondContact O-N 2.86Å; K189-T193 WeakPolarHBondContact O-CG2 3.33Å; K189-T193 PolarHBondContact O-N 3.45Å; K189-T193 PolarHBondContact O-OG1 3.24Å |
| 190 | I | 84.5 | Confident | 86.4 | Confident | 90 Ų | 90 | 112.4 Ų | 112.4 | 46% | 0.462 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 177.6 | -65.8 | 163.3 | 0 | 0 | 0 | 111.2 | R186 S187 H188 I192 T193 Q194 | R186-I190 VanDerWaalsContact O-CG1 3.3Å; R186-I190 WeakPolarHBondContact O-CG1 3.49Å; R186-I190 PolarHBondContact O-N 3.49Å; S187-I190 PolarHBondContact O-N 3.41Å; H188-I190 PolarHBondContact O-N 3.04Å; I190-I192 VanDerWaalsContact C-N 3.34Å; I190-I192 PolarHBondContact O-N 3.48Å; I190-T193 WeakPolarHBondContact CA-OG1 3.45Å; I190-T193 PolarHBondContact O-N 2.94Å; I190-T193 PolarHBondContact O-OG1 3.46Å; I190-Q194 HydrophobicContact CG2-CG 4.41Å; I190-Q194 WeakPolarHBondContact O-CB 3.2Å; I190-Q194 WeakPolarHBondContact O-CG 3.48Å; I190-Q194 PolarHBondContact O-N 2.86Å |
| 191 | K | 89.3 | Confident | 87.3 | Confident | 140 Ų | 140 | 109.9 Ų | 109.9 | 61% | 0.609 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.7 | -41 | 176.4 | -73.5 | 173.8 | -177.7 | -177.5 | 0 | 111.9 | S187 H188 K189 A195 | S187-K191 VanDerWaalsContact O-CG 3.29Å; S187-K191 WeakPolarHBondContact O-CG 3.39Å; S187-K191 PolarHBondContact O-N 2.91Å; H188-K191 PolarHBondContact O-N 3.32Å; K189-K191 PolarHBondContact O-N 2.92Å; K191-A195 VanDerWaalsContact O-CB 3.31Å; K191-A195 WeakPolarHBondContact O-CB 3.2Å; K191-A195 PolarHBondContact O-N 3.43Å |
| 192 | I | 87.6 | Confident | 88.3 | Confident | 84 Ų | 84 | 105 Ų | 105 | 43% | 0.431 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 175.6 | -70.3 | 169.9 | 0 | 0 | 0 | 110.5 | H188 K189 I190 Q194 A195 V196 | H188-I192 WeakPolarHBondContact CE1-CD1 3.38Å; H188-I192 WeakPolarHBondContact ND1-CD1 3.2Å; H188-I192 WeakPolarHBondContact O-CG1 3.3Å; H188-I192 PolarHBondContact O-N 3.31Å; K189-I192 PolarHBondContact O-N 2.86Å; I190-I192 VanDerWaalsContact C-N 3.34Å; I190-I192 PolarHBondContact O-N 3.48Å; I192-Q194 PolarHBondContact O-N 3.21Å; I192-A195 PolarHBondContact O-N 2.87Å; I192-V196 HydrophobicContact CG2-CG2 4.36Å; I192-V196 WeakPolarHBondContact O-CG2 3.34Å; I192-V196 PolarHBondContact O-N 3.49Å |
| 193 | T | 88.4 | Confident | 89 | Confident | 62 Ų | 62 | 105.6 Ų | 105.6 | 38% | 0.38 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | -179.1 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | K189 I190 A195 V196 E197 | K189-T193 WeakPolarHBondContact O-CG2 3.33Å; K189-T193 PolarHBondContact O-N 3.45Å; K189-T193 PolarHBondContact O-OG1 3.24Å; I190-T193 WeakPolarHBondContact CA-OG1 3.45Å; I190-T193 PolarHBondContact O-N 2.94Å; I190-T193 PolarHBondContact O-OG1 3.46Å; T193-A195 VanDerWaalsContact C-N 3.34Å; T193-A195 PolarHBondContact O-N 3.18Å; T193-V196 PolarHBondContact O-N 2.91Å; T193-E197 WeakPolarHBondContact O-CG 3.37Å; T193-E197 PolarHBondContact O-N 3.37Å |
| 194 | Q | 91.1 | Very high | 89.6 | Confident | 113 Ų | 113 | 106.1 Ų | 106.1 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -39 | 176.1 | -73.1 | 177.3 | -4.3 | 0 | 0 | 112.6 | I190 I192 E197 R198 | I190-Q194 HydrophobicContact CG2-CG 4.41Å; I190-Q194 WeakPolarHBondContact O-CB 3.2Å; I190-Q194 WeakPolarHBondContact O-CG 3.48Å; I190-Q194 PolarHBondContact O-N 2.86Å; I192-Q194 PolarHBondContact O-N 3.21Å; Q194-E197 PolarHBondContact O-N 2.84Å; Q194-R198 WeakPolarHBondContact O-CB 3.21Å; Q194-R198 PolarHBondContact O-N 2.77Å |
| 195 | A | 91.4 | Very high | 90.1 | Very high | 60 Ų | 60 | 101.3 Ų | 101.3 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K191 I192 T193 L199 | K191-A195 VanDerWaalsContact O-CB 3.31Å; K191-A195 WeakPolarHBondContact O-CB 3.2Å; K191-A195 PolarHBondContact O-N 3.43Å; I192-A195 PolarHBondContact O-N 2.87Å; T193-A195 VanDerWaalsContact C-N 3.34Å; T193-A195 PolarHBondContact O-N 3.18Å; A195-L199 VanDerWaalsContact O-CB 3.32Å; A195-L199 WeakPolarHBondContact O-CB 3.33Å; A195-L199 PolarHBondContact O-N 3.08Å |
| 196 | V | 92.9 | Very high | 90.8 | Very high | 81 Ų | 81 | 99.4 Ų | 99.4 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 174.5 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | I192 T193 R198 L199 V200 | I192-V196 HydrophobicContact CG2-CG2 4.36Å; I192-V196 WeakPolarHBondContact O-CG2 3.34Å; I192-V196 PolarHBondContact O-N 3.49Å; T193-V196 PolarHBondContact O-N 2.91Å; V196-R198 PolarHBondContact O-N 3.25Å; V196-L199 PolarHBondContact O-N 2.96Å; V196-V200 HydrophobicContact CG1-CG2 4.3Å; V196-V200 WeakPolarHBondContact O-CB 3.41Å; V196-V200 VanDerWaalsContact O-CG2 3.29Å; V196-V200 WeakPolarHBondContact O-CG2 3.24Å; V196-V200 PolarHBondContact O-N 3.06Å |
| 197 | E | 91.6 | Very high | 91.3 | Very high | 129 Ų | 129 | 92.5 Ų | 92.5 | 60% | 0.603 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -57.7 | -46.8 | 176.5 | -75.3 | 168.2 | -174.5 | 0 | 0 | 111.6 | T193 Q194 L199 V200 E201 | T193-E197 WeakPolarHBondContact O-CG 3.37Å; T193-E197 PolarHBondContact O-N 3.37Å; Q194-E197 PolarHBondContact O-N 2.84Å; E197-L199 PolarHBondContact O-N 3.37Å; E197-V200 PolarHBondContact O-N 2.78Å; E197-E201 PolarHBondContact O-N 3.39Å |
| 198 | R | 94.4 | Very high | 91.7 | Very high | 162 Ų | 162 | 94.9 Ų | 94.9 | 61% | 0.611 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.7 | -43.5 | 176 | -179.8 | -178.2 | 153.1 | 60.8 | 24.2 | 112 | Q194 V196 V200 E201 D202 | Q194-R198 WeakPolarHBondContact O-CB 3.21Å; Q194-R198 PolarHBondContact O-N 2.77Å; V196-R198 PolarHBondContact O-N 3.25Å; R198-V200 VanDerWaalsContact C-N 3.33Å; R198-E201 PolarHBondContact O-N 3.28Å; R198-D202 IonicContact CZ-OD1 2.77Å; R198-D202 IonicContact CZ-OD2 3.81Å; R198-D202 VanDerWaalsContact CZ-OD2 3.31Å; R198-D202 IonicContact NE-OD2 2.67Å; R198-D202 IonicContact NH1-OD1 3.44Å; R198-D202 IonicContact NH1-OD2 3.81Å; R198-D202 IonicContact NH2-OD1 3.62Å; R198-D202 IonicContact NH2-OD2 2.9Å; R198-D202 PolarHBondContact NH2-OD2 3.39Å; R198-D202 WeakPolarHBondContact O-CB 3.23Å; R198-D202 VanDerWaalsContact O-CG 3.29Å; R198-D202 PolarHBondContact O-N 3.21Å |
| 199 | L | 95.4 | Very high | 92.1 | Very high | 104 Ų | 104 | 93.5 Ų | 93.5 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 178.4 | 179.6 | 145.3 | 0 | 0 | 0 | 111.4 | A195 V196 E197 D202 L203 | A195-L199 VanDerWaalsContact O-CB 3.32Å; A195-L199 WeakPolarHBondContact O-CB 3.33Å; A195-L199 PolarHBondContact O-N 3.08Å; V196-L199 PolarHBondContact O-N 2.96Å; E197-L199 PolarHBondContact O-N 3.37Å; L199-D202 PolarHBondContact O-N 3.19Å; L199-L203 HydrophobicContact CD2-CD1 3.51Å; L199-L203 HydrophobicContact CG-CD1 4.29Å; L199-L203 WeakPolarHBondContact O-CB 3.32Å; L199-L203 WeakPolarHBondContact O-CD1 3.45Å; L199-L203 PolarHBondContact O-N 2.87Å |
| 200 | V | 95.1 | Very high | 92.5 | Very high | 70 Ų | 70 | 94 Ų | 94 | 42% | 0.424 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 175.4 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | V196 E197 R198 L203 I204 | V196-V200 HydrophobicContact CG1-CG2 4.3Å; V196-V200 WeakPolarHBondContact O-CB 3.41Å; V196-V200 VanDerWaalsContact O-CG2 3.29Å; V196-V200 WeakPolarHBondContact O-CG2 3.24Å; V196-V200 PolarHBondContact O-N 3.06Å; E197-V200 PolarHBondContact O-N 2.78Å; R198-V200 VanDerWaalsContact C-N 3.33Å; V200-L203 WeakPolarHBondContact O-CB 3.34Å; V200-L203 PolarHBondContact O-N 2.9Å; V200-I204 HydrophobicContact CG1-CD1 3.84Å; V200-I204 HydrophobicContact CG1-CG1 4.43Å; V200-I204 VanDerWaalsContact O-CG1 3.3Å; V200-I204 WeakPolarHBondContact O-CG1 3.5Å; V200-I204 PolarHBondContact O-N 2.86Å |
| 201 | E | 94.9 | Very high | 92.8 | Very high | 93 Ų | 93 | 90.5 Ų | 90.5 | 44% | 0.435 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 176.4 | -174.1 | 59.7 | -149.2 | 0 | 0 | 111.4 | E197 R198 L203 I204 Q205 | E197-E201 PolarHBondContact O-N 3.39Å; R198-E201 PolarHBondContact O-N 3.28Å; E201-L203 VanDerWaalsContact C-N 3.27Å; E201-L203 PolarHBondContact O-N 3.11Å; E201-I204 PolarHBondContact O-N 3.44Å; E201-I204 VanDerWaalsContact O-N 3.12Å; E201-Q205 HydrophobicContact CG-CG 4.48Å; E201-Q205 WeakPolarHBondContact O-CG 3.18Å; E201-Q205 PolarHBondContact O-N 2.97Å; E201-Q205 PolarHBondContact OE1-NE2 3.41Å |
| 202 | D | 96.1 | Very high | 92.7 | Very high | 74 Ų | 74 | 88.2 Ų | 88.2 | 40% | 0.396 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.1 | -40.9 | 176.8 | -71.4 | -16.9 | 0 | 0 | 0 | 110.6 | R198 L199 Q205 E206 | R198-D202 IonicContact CZ-OD1 2.77Å; R198-D202 IonicContact CZ-OD2 3.81Å; R198-D202 VanDerWaalsContact CZ-OD2 3.31Å; R198-D202 IonicContact NE-OD2 2.67Å; R198-D202 IonicContact NH1-OD1 3.44Å; R198-D202 IonicContact NH1-OD2 3.81Å; R198-D202 IonicContact NH2-OD1 3.62Å; R198-D202 IonicContact NH2-OD2 2.9Å; R198-D202 PolarHBondContact NH2-OD2 3.39Å; R198-D202 WeakPolarHBondContact O-CB 3.23Å; R198-D202 VanDerWaalsContact O-CG 3.29Å; R198-D202 PolarHBondContact O-N 3.21Å; L199-D202 PolarHBondContact O-N 3.19Å; D202-Q205 PolarHBondContact O-N 3.16Å; D202-E206 WeakPolarHBondContact O-CB 3.39Å; D202-E206 PolarHBondContact O-N 3.47Å |
| 203 | L | 95.4 | Very high | 92.6 | Very high | 86 Ų | 86 | 89.5 Ų | 89.5 | 45% | 0.45 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 174.3 | -93.3 | 151.1 | 0 | 0 | 0 | 113.3 | L199 V200 E201 E206 S207 | L199-L203 HydrophobicContact CD2-CD1 3.51Å; L199-L203 HydrophobicContact CG-CD1 4.29Å; L199-L203 WeakPolarHBondContact O-CB 3.32Å; L199-L203 WeakPolarHBondContact O-CD1 3.45Å; L199-L203 PolarHBondContact O-N 2.87Å; V200-L203 WeakPolarHBondContact O-CB 3.34Å; V200-L203 PolarHBondContact O-N 2.9Å; E201-L203 VanDerWaalsContact C-N 3.27Å; E201-L203 PolarHBondContact O-N 3.11Å; L203-E206 PolarHBondContact O-N 3.25Å; L203-S207 WeakPolarHBondContact O-CB 3.49Å; L203-S207 PolarHBondContact O-N 2.98Å; L203-S207 PolarHBondContact O-OG 3.11Å |
| 204 | I | 93.1 | Very high | 92.4 | Very high | 66 Ų | 66 | 96 Ų | 96 | 34% | 0.338 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.5 | -47.1 | 177.4 | -70.2 | 166.3 | 0 | 0 | 0 | 109.6 | V200 E201 E206 S207 M208 | V200-I204 HydrophobicContact CG1-CD1 3.84Å; V200-I204 HydrophobicContact CG1-CG1 4.43Å; V200-I204 VanDerWaalsContact O-CG1 3.3Å; V200-I204 WeakPolarHBondContact O-CG1 3.5Å; V200-I204 PolarHBondContact O-N 2.86Å; E201-I204 PolarHBondContact O-N 3.44Å; E201-I204 VanDerWaalsContact O-N 3.12Å; I204-E206 VanDerWaalsContact C-N 3.34Å; I204-E206 PolarHBondContact O-N 3.45Å; I204-S207 PolarHBondContact O-N 3.49Å; I204-M208 HydrophobicContact CG2-CG 4.46Å; I204-M208 HydrophobicContact CG2-SD 4.13Å; I204-M208 WeakPolarHBondContact O-CB 3.48Å; I204-M208 WeakPolarHBondContact O-CG 3.29Å; I204-M208 PolarHBondContact O-N 3.18Å |
| 205 | Q | 94.8 | Very high | 91.9 | Very high | 93 Ų | 93 | 98.1 Ų | 98.1 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 178.6 | -66.3 | -60.1 | -24.3 | 0 | 0 | 111.7 | E201 D202 M208 A209 | E201-Q205 HydrophobicContact CG-CG 4.48Å; E201-Q205 WeakPolarHBondContact O-CG 3.18Å; E201-Q205 PolarHBondContact O-N 2.97Å; E201-Q205 PolarHBondContact OE1-NE2 3.41Å; D202-Q205 PolarHBondContact O-N 3.16Å; Q205-M208 WeakPolarHBondContact O-CB 3.41Å; Q205-M208 PolarHBondContact O-N 3.21Å; Q205-A209 WeakPolarHBondContact O-CB 3.34Å; Q205-A209 PolarHBondContact O-N 2.93Å |
| 206 | E | 95.4 | Very high | 91.6 | Very high | 94 Ų | 94 | 100 Ų | 100 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 174.6 | -172.3 | 177 | -166.5 | 0 | 0 | 111.8 | D202 L203 I204 M208 A209 R210 | D202-E206 WeakPolarHBondContact O-CB 3.39Å; D202-E206 PolarHBondContact O-N 3.47Å; L203-E206 PolarHBondContact O-N 3.25Å; I204-E206 VanDerWaalsContact C-N 3.34Å; I204-E206 PolarHBondContact O-N 3.45Å; E206-M208 VanDerWaalsContact C-N 3.32Å; E206-M208 PolarHBondContact O-N 3.07Å; E206-A209 PolarHBondContact O-N 3.16Å; E206-R210 WeakPolarHBondContact O-CG 3.45Å; E206-R210 PolarHBondContact O-N 3.1Å; E206-R210 IonicContact OE1-CZ 3.83Å; E206-R210 IonicContact OE1-NE 3.68Å; E206-R210 IonicContact OE1-NH2 3.36Å; E206-R210 PolarHBondContact OE1-NH2 3.09Å; E206-R210 IonicContact OE2-NH2 2.63Å |
| 207 | S | 92.9 | Very high | 91.1 | Very high | 27 Ų | 27 | 101.8 Ų | 101.8 | 19% | 0.189 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 177.5 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | L203 I204 G211 D212 | L203-S207 WeakPolarHBondContact O-CB 3.49Å; L203-S207 PolarHBondContact O-N 2.98Å; L203-S207 PolarHBondContact O-OG 3.11Å; I204-S207 PolarHBondContact O-N 3.49Å; S207-G211 PolarHBondContact O-N 3.06Å; S207-G211 VanDerWaalsContact O-N 3.1Å; S207-D212 PolarHBondContact O-N 3.46Å |
| 208 | M | 91.8 | Very high | 90.5 | Very high | 96 Ų | 96 | 97.7 Ų | 97.7 | 47% | 0.473 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 171.3 | -76.3 | 179.6 | 50.6 | 0 | 0 | 112.4 | I204 Q205 E206 G211 F213 | I204-M208 HydrophobicContact CG2-CG 4.46Å; I204-M208 HydrophobicContact CG2-SD 4.13Å; I204-M208 WeakPolarHBondContact O-CB 3.48Å; I204-M208 WeakPolarHBondContact O-CG 3.29Å; I204-M208 PolarHBondContact O-N 3.18Å; Q205-M208 WeakPolarHBondContact O-CB 3.41Å; Q205-M208 PolarHBondContact O-N 3.21Å; E206-M208 VanDerWaalsContact C-N 3.32Å; E206-M208 PolarHBondContact O-N 3.07Å; M208-G211 PolarHBondContact O-N 2.96Å; M208-G211 VanDerWaalsContact O-N 3.16Å; M208-F213 HydrophobicContact CB-CD2 4.33Å; M208-F213 HydrophobicContact CG-CD2 3.6Å; M208-F213 HydrophobicContact CG-CE2 3.69Å |
| 209 | A | 93.2 | Very high | 89.9 | Confident | 89 Ų | 89 | 93.2 Ų | 93.2 | 74% | 0.736 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.8 | -39.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q205 E206 G211 | Q205-A209 WeakPolarHBondContact O-CB 3.34Å; Q205-A209 PolarHBondContact O-N 2.93Å; E206-A209 PolarHBondContact O-N 3.16Å; A209-G211 PolarHBondContact O-N 3.44Å |
| 210 | R | 92 | Very high | 89.2 | Confident | 162 Ų | 162 | 92.5 Ų | 92.5 | 61% | 0.611 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -23.8 | 172.2 | -71.5 | 175.4 | -175.5 | 178.6 | 2.1 | 112.7 | E206 | E206-R210 WeakPolarHBondContact O-CG 3.45Å; E206-R210 PolarHBondContact O-N 3.1Å; E206-R210 IonicContact OE1-CZ 3.83Å; E206-R210 IonicContact OE1-NE 3.68Å; E206-R210 IonicContact OE1-NH2 3.36Å; E206-R210 PolarHBondContact OE1-NH2 3.09Å; E206-R210 IonicContact OE2-NH2 2.63Å |
| 211 | G | 91.1 | Very high | 88.7 | Confident | 15 Ų | 15 | 96 Ų | 96 | 16% | 0.155 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 21.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S207 M208 A209 F213 R214 | S207-G211 PolarHBondContact O-N 3.06Å; S207-G211 VanDerWaalsContact O-N 3.1Å; M208-G211 PolarHBondContact O-N 2.96Å; M208-G211 VanDerWaalsContact O-N 3.16Å; A209-G211 PolarHBondContact O-N 3.44Å; G211-F213 PolarHBondContact O-N 3.24Å; G211-F213 VanDerWaalsContact O-N 3.11Å; G211-R214 WeakPolarHBondContact O-CB 3.45Å; G211-R214 PolarHBondContact O-N 3.34Å |
| 212 | D | 87.3 | Confident | 88 | Confident | 92 Ų | 92 | 97.5 Ų | 97.5 | 49% | 0.492 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -22.2 | 178.5 | -65.4 | -28.7 | 0 | 0 | 0 | 112.1 | S207 | S207-D212 PolarHBondContact O-N 3.46Š|
| 213 | F | 86.3 | Confident | 87 | Confident | 112 Ų | 112 | 100.3 Ų | 100.3 | 49% | 0.491 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | -1.3 | 174.8 | -60.8 | -75.6 | 0 | 0 | 0 | 114.3 | M208 G211 | M208-F213 HydrophobicContact CB-CD2 4.33Å; M208-F213 HydrophobicContact CG-CD2 3.6Å; M208-F213 HydrophobicContact CG-CE2 3.69Å; G211-F213 PolarHBondContact O-N 3.24Å; G211-F213 VanDerWaalsContact O-N 3.11Å |
| 214 | R | 83.6 | Confident | 86 | Confident | 197 Ų | 197 | 102.7 Ų | 102.7 | 74% | 0.743 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 132.9 | 176.3 | -60.8 | -177.7 | 178.8 | 175.8 | 1.1 | 109.3 | G211 | G211-R214 WeakPolarHBondContact O-CB 3.45Å; G211-R214 PolarHBondContact O-N 3.34Å |
| 215 | N | 81.4 | Confident | 84.5 | Confident | 158 Ų | 158 | 109 Ų | 109 | 85% | 0.845 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68 | 35.9 | 178.8 | -55.2 | -32.9 | 0 | 0 | 0 | 116.7 | ||
| 216 | L | 85.1 | Confident | 83.1 | Confident | 99 Ų | 99 | 108.4 Ų | 108.4 | 52% | 0.518 | 60% | 0.596 | S | S | . | * | trans | -58.9 | 141.9 | 168.3 | -62.5 | 170.3 | 0 | 0 | 0 | 110.7 | G218 A219 | L216-G218 PolarHBondContact O-N 3.45Å; L216-A219 HydrophobicContact CB-CB 4.46Å; L216-A219 WeakPolarHBondContact O-CB 3.36Å; L216-A219 PolarHBondContact O-N 2.97Å | ||
| 217 | S | 80.9 | Confident | 81.8 | Confident | 119 Ų | 119 | 112.3 Ų | 112.3 | 83% | 0.832 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -11 | -172.2 | 56.5 | 0 | 0 | 0 | 0 | 115.7 | K221 | S217-K221 PolarHBondContact O-NZ 2.97Š|
| 218 | G | 79.2 | Confident | 80.6 | Confident | 43 Ų | 43 | 117.4 Ų | 117.4 | 44% | 0.443 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.2 | 7.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L216 G220 K221 | L216-G218 PolarHBondContact O-N 3.45Å; G218-G220 PolarHBondContact O-N 3.47Å; G218-K221 PolarHBondContact O-N 3.26Å |
| 219 | A | 81.8 | Confident | 80 | Confident | 68 Ų | 68 | 116 Ų | 116 | 56% | 0.562 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 129.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L216 K221 | L216-A219 HydrophobicContact CB-CB 4.46Å; L216-A219 WeakPolarHBondContact O-CB 3.36Å; L216-A219 PolarHBondContact O-N 2.97Å; A219-K221 PolarHBondContact O-N 2.97Å |
| 220 | G | 82.5 | Confident | 79.5 | Confident | 90 Ų | 90 | 116.3 Ų | 116.3 | 93% | 0.928 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.4 | -3.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | G218 | G218-G220 PolarHBondContact O-N 3.47Š|
| 221 | K | 84.6 | Confident | 79.1 | Confident | 143 Ų | 143 | 119.2 Ų | 119.2 | 62% | 0.622 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -83.7 | 142.2 | 174.9 | -64.6 | 178.5 | -173.7 | 162.6 | 0 | 110 | S217 G218 A219 L223 | S217-K221 PolarHBondContact O-NZ 2.97Å; G218-K221 PolarHBondContact O-N 3.26Å; A219-K221 PolarHBondContact O-N 2.97Å; K221-L223 PolarHBondContact O-N 3.16Å |
| 222 | P | 80 | Confident | 78.7 | Confident | 125 Ų | 125 | 119.9 Ų | 119.9 | 81% | 0.812 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 138.1 | 173.1 | 25.7 | -32.9 | 0 | 0 | 0 | 109.9 | N224 | P222-N224 PolarHBondContact O-N 3.4Š|
| 223 | L | 74.6 | Confident | 78.8 | Confident | 132 Ų | 132 | 119.7 Ų | 119.7 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 137.1 | 175.1 | -64.4 | 173.3 | 0 | 0 | 0 | 109.2 | K221 K225 F226 | K221-L223 PolarHBondContact O-N 3.16Å; L223-K225 PolarHBondContact O-N 3.4Å; L223-F226 HydrophobicContact CB-CE1 4.33Å; L223-F226 HydrophobicContact CB-CZ 4.04Å; L223-F226 HydrophobicContact CD1-CE1 4.46Å; L223-F226 HydrophobicContact CD1-CZ 4.11Å |
| 224 | N | 73.8 | Confident | 78.7 | Confident | 136 Ų | 136 | 118.1 Ų | 118.1 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 130.4 | 179.2 | -146.9 | -7.6 | 0 | 0 | 0 | 109.2 | P222 F226 | P222-N224 PolarHBondContact O-N 3.4Å; N224-F226 PolarHBondContact O-N 2.91Å; N224-F226 VanDerWaalsContact O-N 3.12Å |
| 225 | K | 61.7 | Low | 78.7 | Confident | 198 Ų | 198 | 115.6 Ų | 115.6 | 86% | 0.861 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 121.8 | -173.7 | -70.3 | -176.8 | -177.9 | -179.3 | 0 | 109.1 | L223 | L223-K225 PolarHBondContact O-N 3.4Š|
| 226 | F | 66.8 | Low | 79 | Confident | 81 Ų | 81 | 111.4 Ų | 111.4 | 36% | 0.355 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 149.8 | -171.8 | -46.1 | -76.4 | 0 | 0 | 0 | 110.6 | L223 N224 H228 N238 | L223-F226 HydrophobicContact CB-CE1 4.33Å; L223-F226 HydrophobicContact CB-CZ 4.04Å; L223-F226 HydrophobicContact CD1-CE1 4.46Å; L223-F226 HydrophobicContact CD1-CZ 4.11Å; N224-F226 PolarHBondContact O-N 2.91Å; N224-F226 VanDerWaalsContact O-N 3.12Å; F226-H228 PolarHBondContact O-N 3.12Å; F226-N238 WeakPolarHBondContact CD1-OD1 3.18Å; F226-N238 VanDerWaalsContact CE1-OD1 3.24Å; F226-N238 WeakPolarHBondContact CE1-OD1 3.34Å |
| 227 | Q | 67.7 | Low | 79.1 | Confident | 177 Ų | 177 | 108.9 Ų | 108.9 | 83% | 0.827 | 61% | 0.605 | S | S | * | * | trans | -61.8 | 95.2 | 155.1 | -74.2 | -178.1 | 4.6 | 0 | 0 | 105.7 | N229 H237 | Q227-N229 PolarHBondContact O-N 3.33Å; Q227-H237 PolarHBondContact O-CE1 3.1Å; Q227-H237 PolarHBondContact O-NE2 3.14Å | ||
| 228 | H | 67.8 | Low | 79.3 | Confident | 134 Ų | 134 | 105.2 Ų | 105.2 | 62% | 0.62 | 58% | 0.576 | S | S | * | * | trans | -67.6 | 108.7 | -176.4 | -178 | 66.4 | 0 | 0 | 0 | 107.3 | F226 P230 | F226-H228 PolarHBondContact O-N 3.12Å; H228-P230 VanDerWaalsContact O-CD 3.23Å; H228-P230 WeakPolarHBondContact O-CD 3.27Å | ||
| 229 | N | 77.9 | Confident | 79.7 | Confident | 67 Ų | 67 | 107.9 Ų | 107.9 | 36% | 0.358 | 58% | 0.579 | S | S | . | * | trans | -82.8 | 107.8 | 165.9 | -179.1 | -2.9 | 0 | 0 | 0 | 107.4 | Q227 Y231 A232 | Q227-N229 PolarHBondContact O-N 3.33Å; N229-Y231 PolarHBondContact O-N 3.38Å; N229-Y231 VanDerWaalsContact O-N 3.09Å; N229-Y231 WeakPolarHBondContact OD1-CB 3.17Å; N229-Y231 PolarHBondContact OD1-N 3.42Å; N229-A232 HydrophobicContact CB-CB 4Å; N229-A232 PolarHBondContact O-N 3.38Å; N229-A232 VanDerWaalsContact O-N 3.1Å | ||
| 230 | P | 83.1 | Confident | 80 | Confident | 95 Ų | 95 | 108.4 Ų | 108.4 | 62% | 0.617 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -17.3 | -177.3 | -18.8 | 33.6 | 0 | 0 | 0 | 113 | H228 | H228-P230 VanDerWaalsContact O-CD 3.23Å; H228-P230 WeakPolarHBondContact O-CD 3.27Å |
| 231 | Y | 83.6 | Confident | 80.1 | Confident | 222 Ų | 222 | 108.5 Ų | 108.5 | 87% | 0.871 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -5.1 | -179.1 | -54.6 | -73.3 | 0 | 0 | 0 | 113.2 | N229 | N229-Y231 PolarHBondContact O-N 3.38Å; N229-Y231 VanDerWaalsContact O-N 3.09Å; N229-Y231 WeakPolarHBondContact OD1-CB 3.17Å; N229-Y231 PolarHBondContact OD1-N 3.42Å |
| 232 | A | 83.5 | Confident | 80.2 | Confident | 29 Ų | 29 | 106.3 Ų | 106.3 | 24% | 0.24 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -115.4 | 138.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | N229 H237 | N229-A232 HydrophobicContact CB-CB 4Å; N229-A232 PolarHBondContact O-N 3.38Å; N229-A232 VanDerWaalsContact O-N 3.1Å; A232-H237 HydrophobicContact CB-CB 4.28Å |
| 233 | D | 88.3 | Confident | 80.7 | Confident | 89 Ų | 89 | 103.1 Ų | 103.1 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | trans | -58.4 | 133 | 170.2 | 162.6 | 65.1 | 0 | 0 | 0 | 110.4 | M235 T236 H237 | D233-M235 VanDerWaalsContact C-N 3.25Å; D233-M235 PolarHBondContact O-N 3.12Å; D233-M235 VanDerWaalsContact OD2-CB 3.25Å; D233-M235 WeakPolarHBondContact OD2-CB 3.12Å; D233-M235 PolarHBondContact OD2-N 3.48Å; D233-T236 PolarHBondContact O-N 3.09Å; D233-T236 VanDerWaalsContact O-N 3.16Å; D233-T236 PolarHBondContact OD2-N 3.4Å; D233-T236 PolarHBondContact OD2-OG1 2.8Å; D233-T236 VanDerWaalsContact OD2-OG1 3.1Å; D233-H237 WeakPolarHBondContact O-CB 3.31Å; D233-H237 PolarHBondContact O-N 2.86Å | ||
| 234 | P | 83.9 | Confident | 81.3 | Confident | 78 Ų | 78 | 102.6 Ų | 102.6 | 51% | 0.506 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -54.8 | -36 | -178.1 | -29.4 | 35.5 | 0 | 0 | 0 | 114.4 | N238 | P234-N238 WeakPolarHBondContact O-CB 3.38Å; P234-N238 PolarHBondContact O-N 2.84Å; P234-N238 VanDerWaalsContact O-N 3.07Å; P234-N238 PolarHBondContact O-ND2 3.1Å; P234-N238 VanDerWaalsContact O-ND2 3.11Å |
| 235 | M | 85.1 | Confident | 81.9 | Confident | 144 Ų | 144 | 101.1 Ų | 101.1 | 71% | 0.709 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.8 | -49.4 | 178.3 | -176.5 | 71 | 80.6 | 0 | 0 | 110.6 | D233 H237 N238 L239 | D233-M235 VanDerWaalsContact C-N 3.25Å; D233-M235 PolarHBondContact O-N 3.12Å; D233-M235 VanDerWaalsContact OD2-CB 3.25Å; D233-M235 WeakPolarHBondContact OD2-CB 3.12Å; D233-M235 PolarHBondContact OD2-N 3.48Å; M235-H237 PolarHBondContact O-N 3.31Å; M235-N238 PolarHBondContact O-N 2.68Å; M235-L239 PolarHBondContact O-N 2.99Å |
| 236 | T | 88.2 | Confident | 83.3 | Confident | 71 Ų | 71 | 97.9 Ų | 97.9 | 44% | 0.436 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 179.4 | -55.5 | 0 | 0 | 0 | 0 | 112 | D233 N238 L239 N240 | D233-T236 PolarHBondContact O-N 3.09Å; D233-T236 VanDerWaalsContact O-N 3.16Å; D233-T236 PolarHBondContact OD2-N 3.4Å; D233-T236 PolarHBondContact OD2-OG1 2.8Å; D233-T236 VanDerWaalsContact OD2-OG1 3.1Å; T236-N238 PolarHBondContact O-N 3.15Å; T236-L239 PolarHBondContact O-N 2.93Å; T236-N240 WeakPolarHBondContact O-CB 3.45Å; T236-N240 PolarHBondContact O-N 3.49Å; T236-N240 PolarHBondContact O-ND2 3.07Å |
| 237 | H | 86.4 | Confident | 84.4 | Confident | 45 Ų | 45 | 96.4 Ų | 96.4 | 21% | 0.208 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 176.8 | 177.8 | -92.8 | 0 | 0 | 0 | 112 | Q227 A232 D233 M235 N240 R241 | Q227-H237 PolarHBondContact O-CE1 3.1Å; Q227-H237 PolarHBondContact O-NE2 3.14Å; A232-H237 HydrophobicContact CB-CB 4.28Å; D233-H237 WeakPolarHBondContact O-CB 3.31Å; D233-H237 PolarHBondContact O-N 2.86Å; M235-H237 PolarHBondContact O-N 3.31Å; H237-N240 PolarHBondContact O-N 3.42Å; H237-R241 WeakPolarHBondContact O-CB 3.49Å; H237-R241 PolarHBondContact O-N 3.29Å |
| 238 | N | 85 | Confident | 85.7 | Confident | 42 Ų | 42 | 94.2 Ų | 94.2 | 23% | 0.225 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 178.6 | -71.7 | -18.2 | 0 | 0 | 0 | 112.2 | F226 P234 M235 T236 R241 I242 | F226-N238 WeakPolarHBondContact CD1-OD1 3.18Å; F226-N238 VanDerWaalsContact CE1-OD1 3.24Å; F226-N238 WeakPolarHBondContact CE1-OD1 3.34Å; P234-N238 WeakPolarHBondContact O-CB 3.38Å; P234-N238 PolarHBondContact O-N 2.84Å; P234-N238 VanDerWaalsContact O-N 3.07Å; P234-N238 PolarHBondContact O-ND2 3.1Å; P234-N238 VanDerWaalsContact O-ND2 3.11Å; M235-N238 PolarHBondContact O-N 2.68Å; T236-N238 PolarHBondContact O-N 3.15Å; N238-R241 PolarHBondContact O-N 2.97Å; N238-I242 WeakPolarHBondContact O-CG1 3.46Å; N238-I242 PolarHBondContact O-N 3.2Å |
| 239 | L | 87.5 | Confident | 86.8 | Confident | 99 Ų | 99 | 92.4 Ų | 92.4 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -49.5 | 175.2 | -179.4 | 62.4 | 0 | 0 | 0 | 111.4 | M235 T236 R241 I242 L243 | M235-L239 PolarHBondContact O-N 2.99Å; T236-L239 PolarHBondContact O-N 2.93Å; L239-R241 VanDerWaalsContact C-N 3.26Å; L239-R241 PolarHBondContact O-N 3.39Å; L239-I242 PolarHBondContact O-N 3.32Å; L239-I242 VanDerWaalsContact O-N 3.12Å; L239-L243 HydrophobicContact CG-CD1 4.32Å; L239-L243 WeakPolarHBondContact O-CG 3.41Å; L239-L243 PolarHBondContact O-N 2.97Å |
| 240 | N | 87.1 | Confident | 87.5 | Confident | 80 Ų | 80 | 91.3 Ų | 91.3 | 43% | 0.428 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.1 | -38.1 | 178.5 | -74.1 | -18.7 | 0 | 0 | 0 | 111.9 | T236 H237 L243 I244 | T236-N240 WeakPolarHBondContact O-CB 3.45Å; T236-N240 PolarHBondContact O-N 3.49Å; T236-N240 PolarHBondContact O-ND2 3.07Å; H237-N240 PolarHBondContact O-N 3.42Å; N240-L243 PolarHBondContact O-N 2.88Å; N240-I244 WeakPolarHBondContact O-CD1 3.34Å; N240-I244 WeakPolarHBondContact O-CG1 3.25Å; N240-I244 PolarHBondContact O-N 3.48Å |
| 241 | R | 85.5 | Confident | 87.9 | Confident | 92 Ų | 92 | 90.7 Ų | 90.7 | 35% | 0.347 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.2 | -50.9 | 172.6 | 174.5 | -174.7 | 160.9 | -175.6 | -2.4 | 111.5 | H237 N238 L239 L243 I244 D245 | H237-R241 WeakPolarHBondContact O-CB 3.49Å; H237-R241 PolarHBondContact O-N 3.29Å; N238-R241 PolarHBondContact O-N 2.97Å; L239-R241 VanDerWaalsContact C-N 3.26Å; L239-R241 PolarHBondContact O-N 3.39Å; R241-L243 PolarHBondContact O-N 2.96Å; R241-I244 PolarHBondContact O-N 3.41Å; R241-D245 WeakPolarHBondContact CG-OD2 3.31Å; R241-D245 IonicContact CZ-OD2 3.59Å; R241-D245 IonicContact NE-OD2 3.96Å; R241-D245 PolarHBondContact NE-OD2 3.22Å; R241-D245 VanDerWaalsContact NE-OD2 3.08Å; R241-D245 IonicContact NH2-OD2 2.68Å; R241-D245 WeakPolarHBondContact O-CB 3.47Å; R241-D245 PolarHBondContact O-N 2.96Å |
| 242 | I | 86.9 | Confident | 88.4 | Confident | 96 Ų | 96 | 83.5 Ų | 83.5 | 49% | 0.492 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -56.5 | -42.8 | 179.5 | -68.9 | 165.1 | 0 | 0 | 0 | 109.7 | N238 L239 D245 N246 | N238-I242 WeakPolarHBondContact O-CG1 3.46Å; N238-I242 PolarHBondContact O-N 3.2Å; L239-I242 PolarHBondContact O-N 3.32Å; L239-I242 VanDerWaalsContact O-N 3.12Å; I242-D245 PolarHBondContact O-N 3.36Å; I242-N246 WeakPolarHBondContact O-CB 3.4Å; I242-N246 PolarHBondContact O-N 2.97Å; I242-N246 PolarHBondContact O-ND2 3.49Å |
| 243 | L | 89.4 | Confident | 88.9 | Confident | 58 Ų | 58 | 84.3 Ų | 84.3 | 30% | 0.304 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 175.6 | -69.5 | 175.3 | 0 | 0 | 0 | 111.7 | L239 N240 R241 N246 G247 Y248 | L239-L243 HydrophobicContact CG-CD1 4.32Å; L239-L243 WeakPolarHBondContact O-CG 3.41Å; L239-L243 PolarHBondContact O-N 2.97Å; N240-L243 PolarHBondContact O-N 2.88Å; R241-L243 PolarHBondContact O-N 2.96Å; L243-N246 CarbonylContact O-C 3.5Å; L243-N246 PolarHBondContact O-N 3.17Å; L243-G247 PolarHBondContact O-N 3.27Å; L243-Y248 HydrophobicContact CB-CD1 4.07Å; L243-Y248 HydrophobicContact CB-CG 4.3Å; L243-Y248 HydrophobicContact CD1-CD1 4.21Å; L243-Y248 HydrophobicContact CD1-CE1 4.49Å; L243-Y248 HydrophobicContact CD2-CD1 4.18Å; L243-Y248 HydrophobicContact CD2-CG 4.04Å; L243-Y248 HydrophobicContact CG-CD1 4.39Å; L243-Y248 WeakPolarHBondContact O-CB 3.36Å; L243-Y248 PolarHBondContact O-N 2.9Å |
| 244 | I | 87.6 | Confident | 89.2 | Confident | 121 Ų | 121 | 82.7 Ų | 82.7 | 62% | 0.621 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64 | -44.3 | 178.3 | -67.6 | 162.4 | 0 | 0 | 0 | 111.8 | N240 R241 N246 G247 | N240-I244 WeakPolarHBondContact O-CD1 3.34Å; N240-I244 WeakPolarHBondContact O-CG1 3.25Å; N240-I244 PolarHBondContact O-N 3.48Å; R241-I244 PolarHBondContact O-N 3.41Å; I244-N246 PolarHBondContact O-N 3.21Å; I244-G247 WeakPolarHBondContact O-CA 3.44Å; I244-G247 PolarHBondContact O-N 2.98Å |
| 245 | D | 87.3 | Confident | 89.8 | Confident | 105 Ų | 105 | 80.6 Ų | 80.6 | 56% | 0.561 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.8 | -31 | 179.4 | -71.3 | -11.9 | 0 | 0 | 0 | 110.8 | R241 I242 G247 | R241-D245 WeakPolarHBondContact CG-OD2 3.31Å; R241-D245 IonicContact CZ-OD2 3.59Å; R241-D245 IonicContact NE-OD2 3.96Å; R241-D245 PolarHBondContact NE-OD2 3.22Å; R241-D245 VanDerWaalsContact NE-OD2 3.08Å; R241-D245 IonicContact NH2-OD2 2.68Å; R241-D245 WeakPolarHBondContact O-CB 3.47Å; R241-D245 PolarHBondContact O-N 2.96Å; I242-D245 PolarHBondContact O-N 3.36Å; D245-G247 VanDerWaalsContact C-N 3.32Å |
| 246 | N | 90.6 | Very high | 90.3 | Very high | 130 Ų | 130 | 75.5 Ų | 75.5 | 70% | 0.695 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 2.8 | 173.1 | -73.8 | -75.5 | 0 | 0 | 0 | 113.9 | I242 L243 I244 Y248 | I242-N246 WeakPolarHBondContact O-CB 3.4Å; I242-N246 PolarHBondContact O-N 2.97Å; I242-N246 PolarHBondContact O-ND2 3.49Å; L243-N246 CarbonylContact O-C 3.5Å; L243-N246 PolarHBondContact O-N 3.17Å; I244-N246 PolarHBondContact O-N 3.21Å; N246-Y248 VanDerWaalsContact C-N 3.31Å; N246-Y248 PolarHBondContact O-N 2.75Å |
| 247 | G | 90.9 | Very high | 90.6 | Very high | 51 Ų | 51 | 78.7 Ų | 78.7 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 18.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L243 I244 D245 Q249 | L243-G247 PolarHBondContact O-N 3.27Å; I244-G247 WeakPolarHBondContact O-CA 3.44Å; I244-G247 PolarHBondContact O-N 2.98Å; D245-G247 VanDerWaalsContact C-N 3.32Å; G247-Q249 PolarHBondContact O-N 3.32Å |
| 248 | Y | 93.7 | Very high | 91.1 | Very high | 130 Ų | 130 | 79.5 Ų | 79.5 | 51% | 0.51 | 41% | 0.41 | S | S | . | . | trans | -64.8 | 131.6 | 175.5 | 179.3 | -97.7 | 0 | 0 | 0 | 110.7 | L243 N246 | L243-Y248 HydrophobicContact CB-CD1 4.07Å; L243-Y248 HydrophobicContact CB-CG 4.3Å; L243-Y248 HydrophobicContact CD1-CD1 4.21Å; L243-Y248 HydrophobicContact CD1-CE1 4.49Å; L243-Y248 HydrophobicContact CD2-CD1 4.18Å; L243-Y248 HydrophobicContact CD2-CG 4.04Å; L243-Y248 HydrophobicContact CG-CD1 4.39Å; L243-Y248 WeakPolarHBondContact O-CB 3.36Å; L243-Y248 PolarHBondContact O-N 2.9Å; N246-Y248 VanDerWaalsContact C-N 3.31Å; N246-Y248 PolarHBondContact O-N 2.75Å | ||
| 249 | Q | 92.1 | Very high | 91.6 | Very high | 96 Ų | 96 | 77.5 Ų | 77.5 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | trans | -119.3 | 126.5 | 178.8 | -66.4 | 176.9 | 22 | 0 | 0 | 109.3 | G247 V254 | G247-Q249 PolarHBondContact O-N 3.32Å; Q249-V254 HydrophobicContact CB-CG2 3.74Å | ||
| 250 | P | 91.3 | Very high | 92.1 | Very high | 45 Ų | 45 | 80.3 Ų | 80.3 | 29% | 0.292 | 40% | 0.403 | S | S | . | . | trans | -55.5 | 142.8 | 172.2 | -24.9 | 33 | 0 | 0 | 0 | 111.1 | W252 V253 V254 | P250-W252 HydrophobicContact CB-CD2 4.44Å; P250-W252 HydrophobicContact CB-CG 4.38Å; P250-W252 HydrophobicContact CB-CZ2 4.37Å; P250-W252 HydrophobicContact CG-CZ2 4.42Å; P250-W252 PolarHBondContact O-N 3.41Å; P250-W252 VanDerWaalsContact O-N 3.11Å; P250-V253 HydrophobicContact CB-CG2 4.1Å; P250-V253 HydrophobicContact CG-CG2 4.11Å; P250-V253 WeakPolarHBondContact O-CB 3.34Å; P250-V253 PolarHBondContact O-N 3.45Å; P250-V254 PolarHBondContact O-N 3.06Å | ||
| 251 | P | 92 | Very high | 92.5 | Very high | 82 Ų | 82 | 79.8 Ų | 79.8 | 53% | 0.532 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -52.9 | -38.8 | -177.2 | -29.6 | 35.2 | 0 | 0 | 0 | 113.9 | V253 V254 T255 | P251-V253 VanDerWaalsContact C-N 3.3Å; P251-V253 PolarHBondContact O-N 3.42Å; P251-V254 PolarHBondContact O-N 3.31Å; P251-T255 WeakPolarHBondContact O-CG2 3.42Å; P251-T255 PolarHBondContact O-N 3.32Å; P251-T255 PolarHBondContact O-OG1 2.87Å |
| 252 | W | 94.6 | Very high | 93 | Very high | 71 Ų | 71 | 75.8 Ų | 75.8 | 27% | 0.269 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.7 | -28.2 | 178.8 | 64 | -101.3 | 0 | 0 | 0 | 113.4 | P250 T255 Q256 Y310 I313 V314 M319 | P250-W252 HydrophobicContact CB-CD2 4.44Å; P250-W252 HydrophobicContact CB-CG 4.38Å; P250-W252 HydrophobicContact CB-CZ2 4.37Å; P250-W252 HydrophobicContact CG-CZ2 4.42Å; P250-W252 PolarHBondContact O-N 3.41Å; P250-W252 VanDerWaalsContact O-N 3.11Å; W252-T255 WeakPolarHBondContact CA-OG1 3.35Å; W252-T255 PolarHBondContact O-OG1 3.39Å; W252-Q256 WeakPolarHBondContact O-CB 3.23Å; W252-Q256 PolarHBondContact O-N 2.9Å; W252-Y310 HydrophobicContact CB-CD2 4.43Å; W252-Y310 HydrophobicContact CB-CE2 4.34Å; W252-Y310 WeakPolarHBondContact O-CE2 3.31Å; W252-I313 HydrophobicContact CB-CD1 3.74Å; W252-I313 HydrophobicContact CB-CG1 3.84Å; W252-V314 HydrophobicContact CB-CG2 4.31Å; W252-M319 HydrophobicContact CE3-CE 3.88Å; W252-M319 HydrophobicContact CH2-CE 3.9Å; W252-M319 HydrophobicContact CZ3-CE 3.38Å |
| 253 | V | 93.9 | Very high | 93.5 | Very high | 45 Ų | 45 | 71.6 Ų | 71.6 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.8 | -44.1 | 175.4 | 176.6 | 0 | 0 | 0 | 0 | 109.8 | P250 P251 Q256 R257 | P250-V253 HydrophobicContact CB-CG2 4.1Å; P250-V253 HydrophobicContact CG-CG2 4.11Å; P250-V253 WeakPolarHBondContact O-CB 3.34Å; P250-V253 PolarHBondContact O-N 3.45Å; P251-V253 VanDerWaalsContact C-N 3.3Å; P251-V253 PolarHBondContact O-N 3.42Å; V253-Q256 PolarHBondContact O-N 3.24Å; V253-R257 PolarHBondContact O-N 3.38Å |
| 254 | V | 94.5 | Very high | 93.8 | Very high | 55 Ų | 55 | 71.1 Ų | 71.1 | 33% | 0.333 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.3 | -50.3 | 179.1 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | Q249 P250 P251 Q256 R257 D258 | Q249-V254 HydrophobicContact CB-CG2 3.74Å; P250-V254 PolarHBondContact O-N 3.06Å; P251-V254 PolarHBondContact O-N 3.31Å; V254-Q256 VanDerWaalsContact C-N 3.32Å; V254-Q256 PolarHBondContact O-N 2.92Å; V254-R257 WeakPolarHBondContact O-CB 3.48Å; V254-R257 PolarHBondContact O-N 3.5Å; V254-R257 VanDerWaalsContact O-N 3.13Å; V254-D258 VanDerWaalsContact O-CG 3.3Å; V254-D258 PolarHBondContact O-N 3.05Å |
| 255 | T | 95.5 | Very high | 94.2 | Very high | 35 Ų | 35 | 72.4 Ų | 72.4 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 178.7 | 56.1 | 0 | 0 | 0 | 0 | 112.1 | P251 W252 R257 D258 I259 Y310 I313 | P251-T255 WeakPolarHBondContact O-CG2 3.42Å; P251-T255 PolarHBondContact O-N 3.32Å; P251-T255 PolarHBondContact O-OG1 2.87Å; W252-T255 WeakPolarHBondContact CA-OG1 3.35Å; W252-T255 PolarHBondContact O-OG1 3.39Å; T255-R257 VanDerWaalsContact C-N 3.33Å; T255-R257 PolarHBondContact O-N 3.13Å; T255-D258 PolarHBondContact O-N 2.94Å; T255-I259 WeakPolarHBondContact O-CB 3.46Å; T255-I259 WeakPolarHBondContact O-CD1 3.38Å; T255-I259 WeakPolarHBondContact O-CG1 3.36Å; T255-I259 PolarHBondContact O-N 3.32Å; T255-Y310 WeakPolarHBondContact OG1-CD2 3.04Å; T255-I313 HydrophobicContact CG2-CD1 4.33Å |
| 256 | Q | 95.4 | Very high | 94.6 | Very high | 36 Ų | 36 | 67.7 Ų | 67.7 | 17% | 0.168 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 173.6 | -169.8 | 179.8 | 32.8 | 0 | 0 | 111.9 | W252 V253 V254 I259 R260 Y310 | W252-Q256 WeakPolarHBondContact O-CB 3.23Å; W252-Q256 PolarHBondContact O-N 2.9Å; V253-Q256 PolarHBondContact O-N 3.24Å; V254-Q256 VanDerWaalsContact C-N 3.32Å; V254-Q256 PolarHBondContact O-N 2.92Å; Q256-I259 PolarHBondContact O-N 3.35Å; Q256-R260 WeakPolarHBondContact O-CG 3.29Å; Q256-R260 PolarHBondContact O-N 2.9Å; Q256-Y310 HydrophobicContact CB-CD2 4.25Å; Q256-Y310 HydrophobicContact CB-CE2 3.64Å; Q256-Y310 HydrophobicContact CG-CE2 4.1Å; Q256-Y310 PolarHBondContact NE2-OH 3.04Å |
| 257 | R | 95.3 | Very high | 94.8 | Very high | 139 Ų | 139 | 65.9 Ų | 65.9 | 53% | 0.525 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.2 | -48.3 | 175.6 | 177.9 | -174.8 | 169.3 | -167.2 | -7.7 | 110.6 | V253 V254 T255 I259 R260 E261 | V253-R257 PolarHBondContact O-N 3.38Å; V254-R257 WeakPolarHBondContact O-CB 3.48Å; V254-R257 PolarHBondContact O-N 3.5Å; V254-R257 VanDerWaalsContact O-N 3.13Å; T255-R257 VanDerWaalsContact C-N 3.33Å; T255-R257 PolarHBondContact O-N 3.13Å; R257-I259 VanDerWaalsContact C-N 3.3Å; R257-I259 PolarHBondContact O-N 2.9Å; R257-R260 WeakPolarHBondContact O-CB 3.47Å; R257-R260 PolarHBondContact O-N 3.48Å; R257-R260 VanDerWaalsContact O-N 3.11Å; R257-E261 HydrophobicContact CG-CG 4.4Å; R257-E261 IonicContact CZ-OE1 3.4Å; R257-E261 IonicContact NE-OE1 3.82Å; R257-E261 PolarHBondContact NE-OE1 3.36Å; R257-E261 IonicContact NH2-OE1 3.52Å; R257-E261 PolarHBondContact NH2-OE1 3.35Å; R257-E261 WeakPolarHBondContact O-CG 3.16Å; R257-E261 PolarHBondContact O-N 2.98Å |
| 258 | D | 96.2 | Very high | 95 | Very high | 61 Ų | 61 | 66.3 Ų | 66.3 | 33% | 0.326 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.5 | -39.3 | -179.5 | -65.5 | -23.5 | 0 | 0 | 0 | 112 | V254 T255 E261 G262 M306 | V254-D258 VanDerWaalsContact O-CG 3.3Å; V254-D258 PolarHBondContact O-N 3.05Å; T255-D258 PolarHBondContact O-N 2.94Å; D258-E261 PolarHBondContact O-N 3.32Å; D258-G262 PolarHBondContact O-N 2.94Å; D258-M306 HydrophobicContact CB-CE 3.67Å |
| 259 | I | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 174.7 | -68.2 | 162.2 | 0 | 0 | 0 | 110.5 | T255 Q256 R257 G262 A263 L303 M306 V307 Y310 M321 F324 | T255-I259 WeakPolarHBondContact O-CB 3.46Å; T255-I259 WeakPolarHBondContact O-CD1 3.38Å; T255-I259 WeakPolarHBondContact O-CG1 3.36Å; T255-I259 PolarHBondContact O-N 3.32Å; Q256-I259 PolarHBondContact O-N 3.35Å; R257-I259 VanDerWaalsContact C-N 3.3Å; R257-I259 PolarHBondContact O-N 2.9Å; I259-G262 PolarHBondContact O-N 2.89Å; I259-A263 VanDerWaalsContact O-CB 3.3Å; I259-A263 WeakPolarHBondContact O-CB 3.44Å; I259-A263 PolarHBondContact O-N 2.87Å; I259-L303 HydrophobicContact CB-CD1 4.38Å; I259-L303 HydrophobicContact CG1-CD1 4.46Å; I259-L303 HydrophobicContact CG2-CD1 4.19Å; I259-M306 HydrophobicContact CG1-CB 4.1Å; I259-M306 HydrophobicContact CG1-CE 4.31Å; I259-V307 HydrophobicContact CD1-CG2 4.02Å; I259-V307 HydrophobicContact CG1-CG2 4.3Å; I259-V307 HydrophobicContact CG2-CG2 3.83Å; I259-Y310 HydrophobicContact CD1-CD1 4.29Å; I259-Y310 HydrophobicContact CD1-CD2 4.45Å; I259-Y310 HydrophobicContact CD1-CG 3.87Å; I259-M321 HydrophobicContact CG2-CE 3.47Å; I259-M321 VanDerWaalsContact CG2-CE 3.47Å; I259-M321 HydrophobicContact CG2-SD 4.06Å; I259-F324 HydrophobicContact CG2-CE2 3.94Å; I259-F324 HydrophobicContact CG2-CZ 4.25Å |
| 260 | R | 96.5 | Very high | 95.2 | Very high | 159 Ų | 159 | 59.8 Ų | 59.8 | 60% | 0.6 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 178.6 | -74.7 | 177 | 179.2 | -174.6 | 3.1 | 111.6 | Q256 R257 A263 A264 | Q256-R260 WeakPolarHBondContact O-CG 3.29Å; Q256-R260 PolarHBondContact O-N 2.9Å; R257-R260 WeakPolarHBondContact O-CB 3.47Å; R257-R260 PolarHBondContact O-N 3.48Å; R257-R260 VanDerWaalsContact O-N 3.11Å; R260-A263 PolarHBondContact O-N 3.18Å; R260-A264 WeakPolarHBondContact O-CB 3.35Å; R260-A264 PolarHBondContact O-N 2.98Å |
| 261 | E | 97.2 | Very high | 95.3 | Very high | 68 Ų | 68 | 58.7 Ų | 58.7 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 176.8 | -68.5 | -176.2 | -174.6 | 0 | 0 | 111.4 | R257 D258 A264 R265 | R257-E261 HydrophobicContact CG-CG 4.4Å; R257-E261 IonicContact CZ-OE1 3.4Å; R257-E261 IonicContact NE-OE1 3.82Å; R257-E261 PolarHBondContact NE-OE1 3.36Å; R257-E261 IonicContact NH2-OE1 3.52Å; R257-E261 PolarHBondContact NH2-OE1 3.35Å; R257-E261 WeakPolarHBondContact O-CG 3.16Å; R257-E261 PolarHBondContact O-N 2.98Å; D258-E261 PolarHBondContact O-N 3.32Å; E261-A264 PolarHBondContact O-N 3.38Å; E261-R265 WeakPolarHBondContact O-CG 3.42Å; E261-R265 PolarHBondContact O-N 2.91Å; E261-R265 IonicContact OE2-NH1 3.81Å |
| 262 | G | 96.3 | Very high | 95.3 | Very high | 9 Ų | 9 | 60.1 Ų | 60.1 | 9% | 0.093 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D258 I259 A264 R265 V266 | D258-G262 PolarHBondContact O-N 2.94Å; I259-G262 PolarHBondContact O-N 2.89Å; G262-A264 VanDerWaalsContact C-N 3.33Å; G262-A264 PolarHBondContact O-N 3.38Å; G262-R265 PolarHBondContact O-N 2.68Å; G262-V266 WeakPolarHBondContact O-CG2 3.25Å; G262-V266 PolarHBondContact O-N 3.25Å |
| 263 | A | 95.8 | Very high | 95.1 | Very high | 7 Ų | 7 | 57 Ų | 57 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I259 R260 V266 R267 L303 F324 | I259-A263 VanDerWaalsContact O-CB 3.3Å; I259-A263 WeakPolarHBondContact O-CB 3.44Å; I259-A263 PolarHBondContact O-N 2.87Å; R260-A263 PolarHBondContact O-N 3.18Å; A263-V266 PolarHBondContact O-N 3.4Å; A263-R267 WeakPolarHBondContact O-CB 3.29Å; A263-R267 VanDerWaalsContact O-CG 3.23Å; A263-R267 WeakPolarHBondContact O-CG 3.45Å; A263-R267 PolarHBondContact O-N 3.45Å; A263-L303 HydrophobicContact CB-CD2 4.13Å; A263-F324 HydrophobicContact CB-CE1 4.13Å; A263-F324 HydrophobicContact CB-CZ 3.95Å |
| 264 | A | 96.3 | Very high | 94.9 | Very high | 48 Ų | 48 | 55.2 Ų | 55.2 | 40% | 0.397 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R260 E261 G262 R267 S268 | R260-A264 WeakPolarHBondContact O-CB 3.35Å; R260-A264 PolarHBondContact O-N 2.98Å; E261-A264 PolarHBondContact O-N 3.38Å; G262-A264 VanDerWaalsContact C-N 3.33Å; G262-A264 PolarHBondContact O-N 3.38Å; A264-R267 PolarHBondContact O-N 2.88Å; A264-S268 WeakPolarHBondContact O-CB 3.46Å; A264-S268 PolarHBondContact O-N 3.05Å; A264-S268 PolarHBondContact O-OG 3.43Å |
| 265 | R | 96.3 | Very high | 94.6 | Very high | 148 Ų | 148 | 55.2 Ų | 55.2 | 56% | 0.558 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.5 | -49.9 | 174.7 | -73.9 | -174.1 | -67 | -98.6 | 3.3 | 111.5 | E261 G262 R267 S268 R269 | E261-R265 WeakPolarHBondContact O-CG 3.42Å; E261-R265 PolarHBondContact O-N 2.91Å; E261-R265 IonicContact OE2-NH1 3.81Å; G262-R265 PolarHBondContact O-N 2.68Å; R265-R267 PolarHBondContact O-N 3Å; R265-S268 PolarHBondContact O-N 3.48Å; R265-R269 WeakPolarHBondContact O-CB 3.3Å; R265-R269 PolarHBondContact O-N 3.42Å |
| 266 | V | 95.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 62.9 Ų | 62.9 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.4 | -47.2 | 177.8 | 167.1 | 0 | 0 | 0 | 0 | 111.2 | G262 A263 S268 R269 L270 V296 E299 L300 | G262-V266 WeakPolarHBondContact O-CG2 3.25Å; G262-V266 PolarHBondContact O-N 3.25Å; A263-V266 PolarHBondContact O-N 3.4Å; V266-S268 PolarHBondContact O-N 3.24Å; V266-R269 PolarHBondContact O-N 2.98Å; V266-L270 HydrophobicContact CG1-CD1 4.07Å; V266-L270 WeakPolarHBondContact O-CG 3.34Å; V266-L270 PolarHBondContact O-N 2.91Å; V266-V296 HydrophobicContact CG1-CG1 3.54Å; V266-E299 HydrophobicContact CG2-CB 4.33Å; V266-L300 HydrophobicContact CG1-CD2 4.01Å; V266-L300 HydrophobicContact CG1-CG 4.18Å |
| 267 | R | 95.3 | Very high | 93.8 | Very high | 92 Ų | 92 | 61.5 Ų | 61.5 | 35% | 0.347 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 178.5 | -76.3 | 172.8 | 178.3 | 155.2 | 8 | 112.6 | A263 A264 R265 L270 L271 E329 | A263-R267 WeakPolarHBondContact O-CB 3.29Å; A263-R267 VanDerWaalsContact O-CG 3.23Å; A263-R267 WeakPolarHBondContact O-CG 3.45Å; A263-R267 PolarHBondContact O-N 3.45Å; A264-R267 PolarHBondContact O-N 2.88Å; R265-R267 PolarHBondContact O-N 3Å; R267-L270 PolarHBondContact O-N 3.22Å; R267-L271 VanDerWaalsContact O-CB 3.25Å; R267-L271 WeakPolarHBondContact O-CB 3.46Å; R267-L271 PolarHBondContact O-N 2.92Å; R267-E329 VanDerWaalsContact CG-OE2 3.31Å; R267-E329 WeakPolarHBondContact CG-OE2 3.43Å; R267-E329 IonicContact CZ-OE1 2.62Å; R267-E329 IonicContact CZ-OE2 2.95Å; R267-E329 IonicContact NE-OE1 3.33Å; R267-E329 PolarHBondContact NE-OE1 3.17Å; R267-E329 IonicContact NE-OE2 3.59Å; R267-E329 PolarHBondContact NE-OE2 3.22Å; R267-E329 IonicContact NH2-OE1 3.39Å; R267-E329 PolarHBondContact NH2-OE1 3.49Å; R267-E329 IonicContact NH2-OE2 3.96Å |
| 268 | S | 94.8 | Very high | 93 | Very high | 59 Ų | 59 | 56.3 Ų | 56.3 | 41% | 0.413 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 178.8 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | A264 R265 V266 L271 E272 | A264-S268 WeakPolarHBondContact O-CB 3.46Å; A264-S268 PolarHBondContact O-N 3.05Å; A264-S268 PolarHBondContact O-OG 3.43Å; R265-S268 PolarHBondContact O-N 3.48Å; V266-S268 PolarHBondContact O-N 3.24Å; S268-L271 PolarHBondContact O-N 2.96Å; S268-E272 WeakPolarHBondContact O-CB 3.38Å; S268-E272 WeakPolarHBondContact O-CG 3.4Å; S268-E272 PolarHBondContact O-N 3.38Å |
| 269 | R | 94.7 | Very high | 92.3 | Very high | 90 Ų | 90 | 58.5 Ų | 58.5 | 34% | 0.34 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 177.1 | -173.5 | 178.8 | 175.1 | -167 | 4 | 112.9 | R265 V266 L271 G273 E299 | R265-R269 WeakPolarHBondContact O-CB 3.3Å; R265-R269 PolarHBondContact O-N 3.42Å; V266-R269 PolarHBondContact O-N 2.98Å; R269-L271 VanDerWaalsContact C-N 3.31Å; R269-L271 PolarHBondContact O-N 3.01Å; R269-G273 PolarHBondContact O-N 2.87Å; R269-E299 IonicContact CZ-OE1 2.99Å; R269-E299 IonicContact NH1-OE1 2.68Å; R269-E299 PolarHBondContact NH1-OE1 3.34Å; R269-E299 IonicContact NH1-OE2 3.66Å; R269-E299 PolarHBondContact NH1-OE2 3.45Å |
| 270 | L | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 174.8 | -76.2 | 171.8 | 0 | 0 | 0 | 111.4 | V266 R267 R274 W289 L292 V296 E329 A333 | V266-L270 HydrophobicContact CG1-CD1 4.07Å; V266-L270 WeakPolarHBondContact O-CG 3.34Å; V266-L270 PolarHBondContact O-N 2.91Å; R267-L270 PolarHBondContact O-N 3.22Å; L270-R274 WeakPolarHBondContact O-CB 3.36Å; L270-R274 PolarHBondContact O-N 3.42Å; L270-W289 HydrophobicContact CB-CH2 4.5Å; L270-W289 HydrophobicContact CD2-CH2 3.98Å; L270-W289 WeakPolarHBondContact O-CH2 3.45Å; L270-W289 WeakPolarHBondContact O-CZ3 3.34Å; L270-L292 HydrophobicContact CD2-CD2 3.69Å; L270-V296 HydrophobicContact CD1-CG1 4.08Å; L270-V296 HydrophobicContact CD2-CB 4.28Å; L270-V296 HydrophobicContact CD2-CG1 4.09Å; L270-V296 HydrophobicContact CD2-CG2 4.04Å; L270-V296 HydrophobicContact CG-CG1 4.08Å; L270-V296 HydrophobicContact CG-CG2 4.25Å; L270-E329 HydrophobicContact CD1-CB 3.87Å; L270-A333 HydrophobicContact CB-CB 3.87Å |
| 271 | L | 93.7 | Very high | 91 | Very high | 22 Ų | 22 | 57.8 Ų | 57.8 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.4 | -44.9 | -179.3 | -176.4 | 59.1 | 0 | 0 | 0 | 112.3 | R267 S268 R269 R274 A275 V336 A337 R340 | R267-L271 VanDerWaalsContact O-CB 3.25Å; R267-L271 WeakPolarHBondContact O-CB 3.46Å; R267-L271 PolarHBondContact O-N 2.92Å; S268-L271 PolarHBondContact O-N 2.96Å; R269-L271 VanDerWaalsContact C-N 3.31Å; R269-L271 PolarHBondContact O-N 3.01Å; L271-R274 PolarHBondContact O-N 3.42Å; L271-A275 VanDerWaalsContact O-CB 3.23Å; L271-A275 WeakPolarHBondContact O-CB 3.48Å; L271-A275 PolarHBondContact O-N 2.98Å; L271-V336 HydrophobicContact CD1-CB 3.99Å; L271-V336 HydrophobicContact CD1-CG1 3.73Å; L271-V336 HydrophobicContact CD2-CG1 3.96Å; L271-A337 HydrophobicContact CD1-CB 4.18Å; L271-R340 VanDerWaalsContact CD2-NH1 3.35Å |
| 272 | E | 91.9 | Very high | 90.7 | Very high | 111 Ų | 111 | 57.9 Ų | 57.9 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 174.1 | -74.7 | 178.4 | -157.6 | 0 | 0 | 111.6 | S268 R274 A275 R276 | S268-E272 WeakPolarHBondContact O-CB 3.38Å; S268-E272 WeakPolarHBondContact O-CG 3.4Å; S268-E272 PolarHBondContact O-N 3.38Å; E272-R274 VanDerWaalsContact C-N 3.31Å; E272-R274 PolarHBondContact O-N 2.87Å; E272-A275 PolarHBondContact O-N 3.38Å; E272-R276 WeakPolarHBondContact O-CG 3.31Å; E272-R276 PolarHBondContact O-N 2.93Å; E272-R276 VanDerWaalsContact O-N 3.12Å |
| 273 | G | 90.4 | Very high | 90.4 | Very high | 6 Ų | 6 | 61.5 Ų | 61.5 | 6% | 0.062 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.1 | -48.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R269 L277 | R269-G273 PolarHBondContact O-N 2.87Å; G273-L277 VanDerWaalsContact O-CG 3.32Å; G273-L277 WeakPolarHBondContact O-CG 3.29Å |
| 274 | R | 90.4 | Very high | 90.1 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.5 | -38.6 | 179.2 | -179.3 | 59.7 | -175.3 | 114.1 | -7.4 | 112.7 | L270 L271 E272 R276 L277 G278 M281 W289 Q334 A337 R341 | L270-R274 WeakPolarHBondContact O-CB 3.36Å; L270-R274 PolarHBondContact O-N 3.42Å; L271-R274 PolarHBondContact O-N 3.42Å; E272-R274 VanDerWaalsContact C-N 3.31Å; E272-R274 PolarHBondContact O-N 2.87Å; R274-R276 VanDerWaalsContact C-N 3.31Å; R274-R276 PolarHBondContact O-N 3.49Å; R274-L277 PolarHBondContact O-N 3.07Å; R274-G278 PolarHBondContact NH1-O 3.5Å; R274-M281 VanDerWaalsContact CZ-CE 3.46Å; R274-W289 HydrophobicContact CB-CH2 3.83Å; R274-W289 HydrophobicContact CB-CZ3 3.8Å; R274-Q334 HydrophobicContact CG-CG 4.43Å; R274-A337 HydrophobicContact CB-CB 4.34Å; R274-A337 HydrophobicContact CG-CB 3.59Å; R274-R341 PolarHBondContact O-NH2 3.23Å |
| 275 | A | 87.8 | Confident | 89.8 | Confident | 55 Ų | 55 | 64.6 Ų | 64.6 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.8 | -36.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L271 E272 L277 R341 | L271-A275 VanDerWaalsContact O-CB 3.23Å; L271-A275 WeakPolarHBondContact O-CB 3.48Å; L271-A275 PolarHBondContact O-N 2.98Å; E272-A275 PolarHBondContact O-N 3.38Å; A275-L277 VanDerWaalsContact C-N 3.3Å; A275-L277 PolarHBondContact O-N 3.2Å; A275-R341 PolarHBondContact O-NH2 3.09Å |
| 276 | R | 86.8 | Confident | 89.5 | Confident | 196 Ų | 196 | 62.9 Ų | 62.9 | 74% | 0.74 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.1 | -25 | 177.5 | -70.3 | 175.1 | -169.7 | -165.2 | 5.3 | 113.9 | E272 R274 | E272-R276 WeakPolarHBondContact O-CG 3.31Å; E272-R276 PolarHBondContact O-N 2.93Å; E272-R276 VanDerWaalsContact O-N 3.12Å; R274-R276 VanDerWaalsContact C-N 3.31Å; R274-R276 PolarHBondContact O-N 3.49Å |
| 277 | L | 88.3 | Confident | 89.2 | Confident | 8 Ų | 8 | 71 Ų | 71 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -85.5 | 140.7 | -175.1 | -58.7 | 168.5 | 0 | 0 | 0 | 111.6 | G273 R274 A275 M281 E285 W289 R341 | G273-L277 VanDerWaalsContact O-CG 3.32Å; G273-L277 WeakPolarHBondContact O-CG 3.29Å; R274-L277 PolarHBondContact O-N 3.07Å; A275-L277 VanDerWaalsContact C-N 3.3Å; A275-L277 PolarHBondContact O-N 3.2Å; L277-M281 HydrophobicContact CB-CG 4.45Å; L277-M281 HydrophobicContact CD1-SD 4.28Å; L277-E285 HydrophobicContact CD2-CB 3.68Å; L277-E285 HydrophobicContact CD2-CG 3.8Å; L277-W289 HydrophobicContact CD1-CB 3.71Å; L277-W289 HydrophobicContact CD1-CD2 3.99Å; L277-W289 HydrophobicContact CD1-CE3 3.63Å; L277-W289 HydrophobicContact CD1-CG 4.05Å; L277-R341 PolarHBondContact O-NH2 3.4Å |
| 278 | G | 78.6 | Confident | 89 | Confident | 29 Ų | 29 | 70.6 Ų | 70.6 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | trans | -58.9 | 169.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R274 M281 E285 | R274-G278 PolarHBondContact NH1-O 3.5Å; G278-M281 WeakPolarHBondContact O-CG 3.46Å; G278-E285 PolarHBondContact N-OE1 2.96Å | ||
| 279 | D | 80.4 | Confident | 88.9 | Confident | 107 Ų | 107 | 69 Ų | 69 | 57% | 0.572 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -139.7 | 114.4 | 166.6 | -170.8 | 23.2 | 0 | 0 | 0 | 109.9 | R341 | D279-R341 VanDerWaalsContact CB-NH1 3.26Š|
| 280 | P | 80.8 | Confident | 88.7 | Confident | 114 Ų | 114 | 70.5 Ų | 70.5 | 74% | 0.74 | 37% | 0.365 | S | S | * | . | S | Bend | cis | -68.8 | 147.8 | -0.7 | 26.5 | -32.1 | 0 | 0 | 0 | 113.1 | ||
| 281 | M | 86.2 | Confident | 88.7 | Confident | 31 Ų | 31 | 78.8 Ų | 78.8 | 15% | 0.153 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 143.2 | 178.9 | -61.5 | 179.6 | -156.6 | 0 | 0 | 111.6 | R274 L277 G278 E285 R286 | R274-M281 VanDerWaalsContact CZ-CE 3.46Å; L277-M281 HydrophobicContact CB-CG 4.45Å; L277-M281 HydrophobicContact CD1-SD 4.28Å; G278-M281 WeakPolarHBondContact O-CG 3.46Å; M281-E285 HydrophobicContact CB-CB 4.33Å; M281-R286 HydrophobicContact CB-CG 4Å; M281-R286 PolarHBondContact O-NH1 3.41Å; M281-R286 PolarHBondContact O-NH2 2.98Å; M281-R286 HydrophobicContact SD-CG 4.19Å |
| 282 | T | 90.8 | Very high | 88.6 | Confident | 69 Ų | 69 | 78.8 Ų | 78.8 | 42% | 0.423 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -74 | 160.3 | 166.7 | 64 | 0 | 0 | 0 | 0 | 111.3 | A284 E285 R286 | T282-A284 VanDerWaalsContact C-N 3.27Å; T282-A284 PolarHBondContact O-N 2.93Å; T282-E285 WeakPolarHBondContact CB-OE2 3.28Å; T282-E285 WeakPolarHBondContact CG2-OE2 3.5Å; T282-E285 PolarHBondContact N-OE2 3.48Å; T282-E285 PolarHBondContact O-N 3.3Å; T282-E285 WeakPolarHBondContact OG1-CB 3.38Å; T282-E285 VanDerWaalsContact OG1-CD 3.26Å; T282-E285 WeakPolarHBondContact OG1-CG 3.36Å; T282-E285 PolarHBondContact OG1-N 3.39Å; T282-E285 PolarHBondContact OG1-OE2 2.9Å; T282-R286 PolarHBondContact O-N 2.92Å |
| 283 | P | 89.6 | Confident | 88.7 | Confident | 86 Ų | 86 | 74.4 Ų | 74.4 | 56% | 0.558 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.2 | -34.4 | 176.7 | -23.3 | 32.6 | 0 | 0 | 0 | 113.9 | R287 | P283-R287 WeakPolarHBondContact O-CG 3.49Å; P283-R287 PolarHBondContact O-N 3.12Å |
| 284 | A | 89.5 | Confident | 88.9 | Confident | 71 Ų | 71 | 75.5 Ų | 75.5 | 59% | 0.587 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -70.2 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T282 R287 H288 | T282-A284 VanDerWaalsContact C-N 3.27Å; T282-A284 PolarHBondContact O-N 2.93Å; A284-R287 PolarHBondContact O-N 3.19Å; A284-H288 PolarHBondContact O-N 3.14Å |
| 285 | E | 90.3 | Very high | 89 | Confident | 48 Ų | 48 | 76.7 Ų | 76.7 | 22% | 0.224 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64 | -38.7 | 174 | -77.7 | 173 | 137.9 | 0 | 0 | 112.2 | L277 G278 M281 T282 H288 W289 | L277-E285 HydrophobicContact CD2-CB 3.68Å; L277-E285 HydrophobicContact CD2-CG 3.8Å; G278-E285 PolarHBondContact N-OE1 2.96Å; M281-E285 HydrophobicContact CB-CB 4.33Å; T282-E285 WeakPolarHBondContact CB-OE2 3.28Å; T282-E285 WeakPolarHBondContact CG2-OE2 3.5Å; T282-E285 PolarHBondContact N-OE2 3.48Å; T282-E285 PolarHBondContact O-N 3.3Å; T282-E285 WeakPolarHBondContact OG1-CB 3.38Å; T282-E285 VanDerWaalsContact OG1-CD 3.26Å; T282-E285 WeakPolarHBondContact OG1-CG 3.36Å; T282-E285 PolarHBondContact OG1-N 3.39Å; T282-E285 PolarHBondContact OG1-OE2 2.9Å; E285-H288 WeakPolarHBondContact O-CB 3.44Å; E285-H288 PolarHBondContact O-N 3.42Å; E285-H288 VanDerWaalsContact O-N 3.15Å; E285-W289 PolarHBondContact O-N 2.67Å |
| 286 | R | 88.6 | Confident | 89.3 | Confident | 112 Ų | 112 | 74.1 Ų | 74.1 | 42% | 0.423 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.1 | -48.1 | 172.3 | -80.2 | -171.9 | -83.3 | -84.1 | -3 | 111.9 | M281 T282 H288 W289 E290 | M281-R286 HydrophobicContact CB-CG 4Å; M281-R286 PolarHBondContact O-NH1 3.41Å; M281-R286 PolarHBondContact O-NH2 2.98Å; M281-R286 HydrophobicContact SD-CG 4.19Å; T282-R286 PolarHBondContact O-N 2.92Å; R286-H288 PolarHBondContact O-N 3.17Å; R286-W289 WeakPolarHBondContact O-CB 3.37Å; R286-W289 PolarHBondContact O-N 2.93Å; R286-W289 VanDerWaalsContact O-N 3.14Å; R286-E290 WeakPolarHBondContact O-CG 3.33Å; R286-E290 PolarHBondContact O-N 3.12Å |
| 287 | R | 90.3 | Very high | 89.7 | Confident | 177 Ų | 177 | 70.2 Ų | 70.2 | 67% | 0.668 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.2 | -32 | 175.6 | -67.6 | 176.3 | -174.2 | -100.4 | 4.3 | 112.6 | P283 A284 R291 | P283-R287 WeakPolarHBondContact O-CG 3.49Å; P283-R287 PolarHBondContact O-N 3.12Å; A284-R287 PolarHBondContact O-N 3.19Å; R287-R291 WeakPolarHBondContact O-CG 3.43Å; R287-R291 PolarHBondContact O-N 3.23Å; R287-R291 PolarHBondContact O-NE 2.84Å |
| 288 | H | 90.4 | Very high | 90 | Very high | 85 Ų | 85 | 76.1 Ų | 76.1 | 39% | 0.394 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70.5 | -42.8 | 174.3 | -174.2 | 70 | 0 | 0 | 0 | 111.7 | A284 E285 R286 R291 L292 | A284-H288 PolarHBondContact O-N 3.14Å; E285-H288 WeakPolarHBondContact O-CB 3.44Å; E285-H288 PolarHBondContact O-N 3.42Å; E285-H288 VanDerWaalsContact O-N 3.15Å; R286-H288 PolarHBondContact O-N 3.17Å; H288-R291 PolarHBondContact O-N 3.42Å; H288-L292 PolarHBondContact O-N 3.17Å |
| 289 | W | 92.3 | Very high | 90.7 | Very high | 24 Ų | 24 | 78.4 Ų | 78.4 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 174.7 | -176.2 | -114.2 | 0 | 0 | 0 | 112.2 | L270 R274 L277 E285 R286 R291 L292 C293 A330 | L270-W289 HydrophobicContact CB-CH2 4.5Å; L270-W289 HydrophobicContact CD2-CH2 3.98Å; L270-W289 WeakPolarHBondContact O-CH2 3.45Å; L270-W289 WeakPolarHBondContact O-CZ3 3.34Å; R274-W289 HydrophobicContact CB-CH2 3.83Å; R274-W289 HydrophobicContact CB-CZ3 3.8Å; L277-W289 HydrophobicContact CD1-CB 3.71Å; L277-W289 HydrophobicContact CD1-CD2 3.99Å; L277-W289 HydrophobicContact CD1-CE3 3.63Å; L277-W289 HydrophobicContact CD1-CG 4.05Å; E285-W289 PolarHBondContact O-N 2.67Å; R286-W289 WeakPolarHBondContact O-CB 3.37Å; R286-W289 PolarHBondContact O-N 2.93Å; R286-W289 VanDerWaalsContact O-N 3.14Å; W289-R291 PolarHBondContact O-N 3Å; W289-L292 HydrophobicContact CZ3-CD2 4.14Å; W289-L292 WeakPolarHBondContact O-CB 3.3Å; W289-L292 PolarHBondContact O-N 2.8Å; W289-L292 VanDerWaalsContact O-N 3.16Å; W289-C293 WeakPolarHBondContact O-CB 3.48Å; W289-C293 PolarHBondContact O-N 3.13Å; W289-C293 PolarHBondContact O-SG 2.99Å; W289-C293 VanDerWaalsContact O-SG 3.34Å; W289-A330 HydrophobicContact CZ2-CB 4.3Å |
| 290 | E | 91.7 | Very high | 91.5 | Very high | 123 Ų | 123 | 73.7 Ų | 73.7 | 58% | 0.575 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -59.4 | -44.3 | 176.8 | -73.5 | 164.5 | -173.9 | 0 | 0 | 112 | R286 L292 C293 G294 | R286-E290 WeakPolarHBondContact O-CG 3.33Å; R286-E290 PolarHBondContact O-N 3.12Å; E290-L292 VanDerWaalsContact C-N 3.33Å; E290-L292 PolarHBondContact O-N 3.41Å; E290-C293 WeakPolarHBondContact O-CB 3.34Å; E290-C293 PolarHBondContact O-N 3.41Å; E290-G294 PolarHBondContact O-N 3.05Å |
| 291 | R | 92.9 | Very high | 92.2 | Very high | 174 Ų | 174 | 71.1 Ų | 71.1 | 66% | 0.657 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.3 | -39.6 | 174.8 | -75.4 | -176 | -67.4 | 159.1 | -2.9 | 112.5 | R287 H288 W289 G294 A295 | R287-R291 WeakPolarHBondContact O-CG 3.43Å; R287-R291 PolarHBondContact O-N 3.23Å; R287-R291 PolarHBondContact O-NE 2.84Å; H288-R291 PolarHBondContact O-N 3.42Å; W289-R291 PolarHBondContact O-N 3Å; R291-G294 PolarHBondContact O-N 3.39Å; R291-A295 PolarHBondContact O-N 3.03Å |
| 292 | L | 93.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 76.4 Ų | 76.4 | 12% | 0.115 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.7 | -44 | 176.3 | -171.3 | 156.1 | 0 | 0 | 0 | 110.9 | L270 H288 W289 E290 G294 A295 V296 | L270-L292 HydrophobicContact CD2-CD2 3.69Å; H288-L292 PolarHBondContact O-N 3.17Å; W289-L292 HydrophobicContact CZ3-CD2 4.14Å; W289-L292 WeakPolarHBondContact O-CB 3.3Å; W289-L292 PolarHBondContact O-N 2.8Å; W289-L292 VanDerWaalsContact O-N 3.16Å; E290-L292 VanDerWaalsContact C-N 3.33Å; E290-L292 PolarHBondContact O-N 3.41Å; L292-G294 VanDerWaalsContact C-N 3.34Å; L292-G294 PolarHBondContact O-N 2.95Å; L292-A295 PolarHBondContact O-N 3.48Å; L292-V296 HydrophobicContact CD2-CG2 3.88Å; L292-V296 WeakPolarHBondContact O-CB 3.42Å; L292-V296 WeakPolarHBondContact O-CG2 3.37Å; L292-V296 PolarHBondContact O-N 3.46Å |
| 293 | C | 93.6 | Very high | 92.9 | Very high | 18 Ų | 18 | 73.6 Ų | 73.6 | 12% | 0.122 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.4 | -44.1 | 174.6 | -73.7 | 0 | 0 | 0 | 0 | 111.7 | W289 E290 V296 E297 L326 | W289-C293 WeakPolarHBondContact O-CB 3.48Å; W289-C293 PolarHBondContact O-N 3.13Å; W289-C293 PolarHBondContact O-SG 2.99Å; W289-C293 VanDerWaalsContact O-SG 3.34Å; E290-C293 WeakPolarHBondContact O-CB 3.34Å; E290-C293 PolarHBondContact O-N 3.41Å; C293-V296 PolarHBondContact O-N 2.95Å; C293-E297 WeakPolarHBondContact O-CB 3.36Å; C293-E297 PolarHBondContact O-N 3.3Å; C293-L326 HydrophobicContact CB-CD1 4.47Å; C293-L326 HydrophobicContact CB-CD2 4.3Å |
| 294 | G | 93.1 | Very high | 93.3 | Very high | 29 Ų | 29 | 70.8 Ų | 70.8 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E290 R291 L292 V296 E297 E298 | E290-G294 PolarHBondContact O-N 3.05Å; R291-G294 PolarHBondContact O-N 3.39Å; L292-G294 VanDerWaalsContact C-N 3.34Å; L292-G294 PolarHBondContact O-N 2.95Å; G294-V296 VanDerWaalsContact C-N 3.32Å; G294-V296 PolarHBondContact O-N 3.19Å; G294-E297 WeakPolarHBondContact O-CB 3.37Å; G294-E297 PolarHBondContact O-N 3.38Å; G294-E298 PolarHBondContact O-N 2.89Å |
| 295 | A | 93.3 | Very high | 93.6 | Very high | 33 Ų | 33 | 74 Ų | 74 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R291 L292 | R291-A295 PolarHBondContact O-N 3.03Å; L292-A295 PolarHBondContact O-N 3.48Å |
| 296 | V | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.6 | -30.8 | 175.8 | 168 | 0 | 0 | 0 | 0 | 111.6 | V266 L270 L292 C293 G294 E298 E299 L300 L326 | V266-V296 HydrophobicContact CG1-CG1 3.54Å; L270-V296 HydrophobicContact CD1-CG1 4.08Å; L270-V296 HydrophobicContact CD2-CB 4.28Å; L270-V296 HydrophobicContact CD2-CG1 4.09Å; L270-V296 HydrophobicContact CD2-CG2 4.04Å; L270-V296 HydrophobicContact CG-CG1 4.08Å; L270-V296 HydrophobicContact CG-CG2 4.25Å; L292-V296 HydrophobicContact CD2-CG2 3.88Å; L292-V296 WeakPolarHBondContact O-CB 3.42Å; L292-V296 WeakPolarHBondContact O-CG2 3.37Å; L292-V296 PolarHBondContact O-N 3.46Å; C293-V296 PolarHBondContact O-N 2.95Å; G294-V296 VanDerWaalsContact C-N 3.32Å; G294-V296 PolarHBondContact O-N 3.19Å; V296-E298 VanDerWaalsContact C-N 3.35Å; V296-E298 PolarHBondContact O-N 3.11Å; V296-E299 PolarHBondContact O-N 2.91Å; V296-L300 HydrophobicContact CG1-CD1 3.87Å; V296-L300 HydrophobicContact CG1-CG 4.07Å; V296-L300 WeakPolarHBondContact O-CB 3.45Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 2.84Å; V296-L326 HydrophobicContact CB-CD1 4.41Å; V296-L326 HydrophobicContact CG1-CD1 3.99Å |
| 297 | E | 94.8 | Very high | 94.3 | Very high | 114 Ų | 114 | 69.5 Ų | 69.5 | 53% | 0.533 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 176.4 | -170.3 | 167.8 | -150.9 | 0 | 0 | 111.8 | C293 G294 E299 L300 A301 L326 | C293-E297 WeakPolarHBondContact O-CB 3.36Å; C293-E297 PolarHBondContact O-N 3.3Å; G294-E297 WeakPolarHBondContact O-CB 3.37Å; G294-E297 PolarHBondContact O-N 3.38Å; E297-E299 VanDerWaalsContact C-N 3.33Å; E297-E299 PolarHBondContact O-N 3.28Å; E297-L300 PolarHBondContact O-N 3.1Å; E297-A301 PolarHBondContact O-N 3.25Å; E297-L326 HydrophobicContact CB-CD2 4.1Å; E297-L326 HydrophobicContact CG-CD2 4.32Å |
| 298 | E | 94.1 | Very high | 94.6 | Very high | 132 Ų | 132 | 64.3 Ų | 64.3 | 62% | 0.617 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.6 | -39.1 | 174.7 | -65.8 | -178.2 | -176.5 | 0 | 0 | 112.4 | G294 V296 A301 K302 | G294-E298 PolarHBondContact O-N 2.89Å; V296-E298 VanDerWaalsContact C-N 3.35Å; V296-E298 PolarHBondContact O-N 3.11Å; E298-A301 PolarHBondContact O-N 2.84Å; E298-K302 WeakPolarHBondContact O-CG 3.5Å; E298-K302 PolarHBondContact O-N 3.48Å |
| 299 | E | 94.3 | Very high | 94.8 | Very high | 78 Ų | 78 | 64.1 Ų | 64.1 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68 | -40.4 | 175.2 | -74.3 | 176 | -169.4 | 0 | 0 | 112 | V266 R269 V296 E297 A301 K302 L303 | V266-E299 HydrophobicContact CG2-CB 4.33Å; R269-E299 IonicContact CZ-OE1 2.99Å; R269-E299 IonicContact NH1-OE1 2.68Å; R269-E299 PolarHBondContact NH1-OE1 3.34Å; R269-E299 IonicContact NH1-OE2 3.66Å; R269-E299 PolarHBondContact NH1-OE2 3.45Å; V296-E299 PolarHBondContact O-N 2.91Å; E297-E299 VanDerWaalsContact C-N 3.33Å; E297-E299 PolarHBondContact O-N 3.28Å; E299-A301 VanDerWaalsContact C-N 3.34Å; E299-K302 PolarHBondContact O-N 3.05Å; E299-L303 WeakPolarHBondContact O-CB 3.36Å; E299-L303 PolarHBondContact O-N 3.49Å |
| 300 | L | 95.4 | Very high | 95 | Very high | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 174.7 | -78.8 | 172.6 | 0 | 0 | 0 | 111.7 | V266 V296 E297 K302 L303 N304 F324 L326 | V266-L300 HydrophobicContact CG1-CD2 4.01Å; V266-L300 HydrophobicContact CG1-CG 4.18Å; V296-L300 HydrophobicContact CG1-CD1 3.87Å; V296-L300 HydrophobicContact CG1-CG 4.07Å; V296-L300 WeakPolarHBondContact O-CB 3.45Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 2.84Å; E297-L300 PolarHBondContact O-N 3.1Å; L300-K302 VanDerWaalsContact C-N 3.34Å; L300-K302 PolarHBondContact O-N 3.44Å; L300-L303 HydrophobicContact CD2-CD2 4.36Å; L300-L303 PolarHBondContact O-N 2.84Å; L300-N304 WeakPolarHBondContact O-CB 3.4Å; L300-N304 PolarHBondContact O-N 3.11Å; L300-N304 PolarHBondContact O-ND2 3.3Å; L300-F324 HydrophobicContact CD2-CB 3.63Å; L300-F324 HydrophobicContact CD2-CG 4.44Å; L300-L326 HydrophobicContact CD1-CB 4Å; L300-L326 HydrophobicContact CD1-CD1 3.89Å |
| 301 | A | 95.9 | Very high | 95.2 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 50% | 0.504 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E297 E298 E299 N304 K305 | E297-A301 PolarHBondContact O-N 3.25Å; E298-A301 PolarHBondContact O-N 2.84Å; E299-A301 VanDerWaalsContact C-N 3.34Å; A301-N304 PolarHBondContact O-N 3.09Å; A301-K305 PolarHBondContact O-N 3.08Å |
| 302 | K | 95.9 | Very high | 95.3 | Very high | 142 Ų | 142 | 57.1 Ų | 57.1 | 62% | 0.617 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 173.8 | -67.4 | 170.9 | -173.9 | 169.5 | 0 | 111.5 | E298 E299 L300 K305 M306 | E298-K302 WeakPolarHBondContact O-CG 3.5Å; E298-K302 PolarHBondContact O-N 3.48Å; E299-K302 PolarHBondContact O-N 3.05Å; L300-K302 VanDerWaalsContact C-N 3.34Å; L300-K302 PolarHBondContact O-N 3.44Å; K302-K305 PolarHBondContact O-N 3.38Å; K302-M306 PolarHBondContact O-N 2.91Å; K302-M306 VanDerWaalsContact O-N 3.08Å |
| 303 | L | 96.4 | Very high | 95.3 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 177.6 | -170.3 | 66.8 | 0 | 0 | 0 | 112 | I259 A263 E299 L300 K305 M306 V307 F324 | I259-L303 HydrophobicContact CB-CD1 4.38Å; I259-L303 HydrophobicContact CG1-CD1 4.46Å; I259-L303 HydrophobicContact CG2-CD1 4.19Å; A263-L303 HydrophobicContact CB-CD2 4.13Å; E299-L303 WeakPolarHBondContact O-CB 3.36Å; E299-L303 PolarHBondContact O-N 3.49Å; L300-L303 HydrophobicContact CD2-CD2 4.36Å; L300-L303 PolarHBondContact O-N 2.84Å; L303-K305 VanDerWaalsContact C-N 3.34Å; L303-M306 WeakPolarHBondContact O-CB 3.4Å; L303-M306 PolarHBondContact O-N 3.4Å; L303-V307 WeakPolarHBondContact O-CG2 3.33Å; L303-V307 PolarHBondContact O-N 3.19Å; L303-F324 HydrophobicContact CD2-CD2 3.63Å; L303-F324 HydrophobicContact CD2-CE2 3.76Å; L303-F324 HydrophobicContact CD2-CG 4.33Å; L303-F324 HydrophobicContact CG-CD2 4.06Å; L303-F324 HydrophobicContact CG-CE2 4.11Å |
| 304 | N | 97.3 | Very high | 95.4 | Very high | 28 Ų | 28 | 60 Ų | 60 | 15% | 0.15 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 177.6 | -73.8 | -20.5 | 0 | 0 | 0 | 111.5 | L300 A301 M306 V307 D308 H323 F324 | L300-N304 WeakPolarHBondContact O-CB 3.4Å; L300-N304 PolarHBondContact O-N 3.11Å; L300-N304 PolarHBondContact O-ND2 3.3Å; A301-N304 PolarHBondContact O-N 3.09Å; N304-M306 VanDerWaalsContact C-N 3.35Å; N304-M306 PolarHBondContact O-N 3.07Å; N304-V307 WeakPolarHBondContact O-CA 3.42Å; N304-V307 WeakPolarHBondContact O-CB 3.34Å; N304-V307 PolarHBondContact O-N 3.24Å; N304-V307 VanDerWaalsContact O-N 3.12Å; N304-D308 PolarHBondContact O-N 3.07Å; N304-H323 WeakPolarHBondContact OD1-CA 3.48Å; N304-F324 PolarHBondContact ND2-O 2.81Å; N304-F324 PolarHBondContact OD1-N 3.13Å |
| 305 | K | 96.9 | Very high | 95.3 | Very high | 137 Ų | 137 | 62.8 Ų | 62.8 | 60% | 0.596 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.7 | -42 | 170.6 | -174.7 | 175.7 | 176.3 | 178.6 | 0 | 112.1 | A301 K302 L303 V307 D308 D309 | A301-K305 PolarHBondContact O-N 3.08Å; K302-K305 PolarHBondContact O-N 3.38Å; L303-K305 VanDerWaalsContact C-N 3.34Å; K305-V307 VanDerWaalsContact C-N 3.26Å; K305-V307 PolarHBondContact O-N 3.04Å; K305-D308 WeakPolarHBondContact O-CB 3.23Å; K305-D308 PolarHBondContact O-N 3.06Å; K305-D308 VanDerWaalsContact O-N 3.16Å; K305-D309 PolarHBondContact O-N 2.72Å |
| 306 | M | 95.9 | Very high | 95.3 | Very high | 66 Ų | 66 | 66.9 Ų | 66.9 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.1 | -34.6 | 173.3 | -68.8 | 176.4 | 61.3 | 0 | 0 | 112.3 | D258 I259 K302 L303 N304 D309 Y310 | D258-M306 HydrophobicContact CB-CE 3.67Å; I259-M306 HydrophobicContact CG1-CB 4.1Å; I259-M306 HydrophobicContact CG1-CE 4.31Å; K302-M306 PolarHBondContact O-N 2.91Å; K302-M306 VanDerWaalsContact O-N 3.08Å; L303-M306 WeakPolarHBondContact O-CB 3.4Å; L303-M306 PolarHBondContact O-N 3.4Å; N304-M306 VanDerWaalsContact C-N 3.35Å; N304-M306 PolarHBondContact O-N 3.07Å; M306-D309 PolarHBondContact O-N 3.5Å; M306-Y310 VanDerWaalsContact O-CB 3.27Å; M306-Y310 WeakPolarHBondContact O-CB 3.38Å; M306-Y310 PolarHBondContact O-N 3.34Å |
| 307 | V | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 173.3 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | I259 L303 N304 K305 Y310 N311 M321 F324 | I259-V307 HydrophobicContact CD1-CG2 4.02Å; I259-V307 HydrophobicContact CG1-CG2 4.3Å; I259-V307 HydrophobicContact CG2-CG2 3.83Å; L303-V307 WeakPolarHBondContact O-CG2 3.33Å; L303-V307 PolarHBondContact O-N 3.19Å; N304-V307 WeakPolarHBondContact O-CA 3.42Å; N304-V307 WeakPolarHBondContact O-CB 3.34Å; N304-V307 PolarHBondContact O-N 3.24Å; N304-V307 VanDerWaalsContact O-N 3.12Å; K305-V307 VanDerWaalsContact C-N 3.26Å; K305-V307 PolarHBondContact O-N 3.04Å; V307-Y310 PolarHBondContact O-N 3.35Å; V307-N311 WeakPolarHBondContact O-CB 3.47Å; V307-N311 PolarHBondContact O-N 2.95Å; V307-N311 PolarHBondContact O-ND2 2.72Å; V307-N311 PolarHBondContact O-OD1 2.76Å; V307-M321 HydrophobicContact CG1-CB 3.8Å; V307-M321 WeakPolarHBondContact CG1-O 3.38Å; V307-M321 HydrophobicContact CG2-CE 4.49Å; V307-F324 HydrophobicContact CG2-CD2 4.33Å; V307-F324 HydrophobicContact CG2-CE2 3.87Å |
| 308 | D | 96.6 | Very high | 95 | Very high | 68 Ų | 68 | 72 Ų | 72 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.4 | -50.2 | 173.9 | -67.5 | -36.3 | 0 | 0 | 0 | 111.2 | N304 K305 Y310 N311 L312 H323 | N304-D308 PolarHBondContact O-N 3.07Å; K305-D308 WeakPolarHBondContact O-CB 3.23Å; K305-D308 PolarHBondContact O-N 3.06Å; K305-D308 VanDerWaalsContact O-N 3.16Å; D308-Y310 VanDerWaalsContact C-N 3.27Å; D308-Y310 PolarHBondContact O-N 3.06Å; D308-N311 PolarHBondContact O-N 3.4Å; D308-N311 VanDerWaalsContact O-N 3.09Å; D308-L312 WeakPolarHBondContact O-CG 3.48Å; D308-L312 PolarHBondContact O-N 3.13Å; D308-L312 VanDerWaalsContact O-N 3.12Å; D308-H323 VanDerWaalsContact CG-NE2 3.32Å; D308-H323 IonicContact OD1-CD2 3.84Å; D308-H323 IonicContact OD1-CE1 3.92Å; D308-H323 PolarHBondContact OD1-CE1 3.05Å; D308-H323 IonicContact OD1-NE2 3.08Å; D308-H323 PolarHBondContact OD1-NE2 3.01Å; D308-H323 IonicContact OD2-CE1 3.87Å; D308-H323 IonicContact OD2-NE2 3.55Å; D308-H323 PolarHBondContact OD2-NE2 3.24Å |
| 309 | D | 95.4 | Very high | 94.9 | Very high | 82 Ų | 82 | 67.9 Ų | 67.9 | 44% | 0.439 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.3 | -41.7 | 177.4 | -66.7 | -27.1 | 0 | 0 | 0 | 111.3 | K305 M306 L312 I313 | K305-D309 PolarHBondContact O-N 2.72Å; M306-D309 PolarHBondContact O-N 3.5Å; D309-L312 PolarHBondContact O-N 3.39Å; D309-I313 WeakPolarHBondContact O-CG1 3.31Å; D309-I313 PolarHBondContact O-N 2.73Å |
| 310 | Y | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 174 | 169.5 | -99.6 | 0 | 0 | 0 | 111.8 | W252 T255 Q256 I259 M306 V307 D308 L312 I313 V314 M319 M321 | W252-Y310 HydrophobicContact CB-CD2 4.43Å; W252-Y310 HydrophobicContact CB-CE2 4.34Å; W252-Y310 WeakPolarHBondContact O-CE2 3.31Å; T255-Y310 WeakPolarHBondContact OG1-CD2 3.04Å; Q256-Y310 HydrophobicContact CB-CD2 4.25Å; Q256-Y310 HydrophobicContact CB-CE2 3.64Å; Q256-Y310 HydrophobicContact CG-CE2 4.1Å; Q256-Y310 PolarHBondContact NE2-OH 3.04Å; I259-Y310 HydrophobicContact CD1-CD1 4.29Å; I259-Y310 HydrophobicContact CD1-CD2 4.45Å; I259-Y310 HydrophobicContact CD1-CG 3.87Å; M306-Y310 VanDerWaalsContact O-CB 3.27Å; M306-Y310 WeakPolarHBondContact O-CB 3.38Å; M306-Y310 PolarHBondContact O-N 3.34Å; V307-Y310 PolarHBondContact O-N 3.35Å; D308-Y310 VanDerWaalsContact C-N 3.27Å; D308-Y310 PolarHBondContact O-N 3.06Å; Y310-L312 PolarHBondContact O-N 2.84Å; Y310-L312 VanDerWaalsContact O-N 3.17Å; Y310-I313 VanDerWaalsContact O-CG1 3.23Å; Y310-I313 WeakPolarHBondContact O-CG1 3.35Å; Y310-I313 PolarHBondContact O-N 3.45Å; Y310-V314 HydrophobicContact CD1-CG2 3.85Å; Y310-V314 HydrophobicContact CD2-CG2 3.55Å; Y310-V314 HydrophobicContact CE1-CG2 3.53Å; Y310-V314 HydrophobicContact CE2-CG2 3.19Å; Y310-V314 HydrophobicContact CG-CG2 3.87Å; Y310-V314 WeakPolarHBondContact O-CG2 3.26Å; Y310-V314 PolarHBondContact O-N 3.46Å; Y310-V314 VanDerWaalsContact O-N 3.15Å; Y310-M319 WeakPolarHBondContact CE1-O 3.33Å; Y310-M319 PolarHBondContact OH-O 3.13Å; Y310-M321 HydrophobicContact CD1-CB 4.42Å; Y310-M321 HydrophobicContact CD1-CG 4.27Å; Y310-M321 HydrophobicContact CD1-SD 4.3Å; Y310-M321 HydrophobicContact CE1-CB 4.34Å; Y310-M321 HydrophobicContact CE1-CG 3.78Å; Y310-M321 HydrophobicContact CE1-SD 3.98Å |
| 311 | N | 95.8 | Very high | 94.9 | Very high | 29 Ų | 29 | 70.4 Ų | 70.4 | 16% | 0.155 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.1 | -25.5 | -179.7 | -72.3 | -19.1 | 0 | 0 | 0 | 113.3 | V307 D308 Q320 M321 | V307-N311 WeakPolarHBondContact O-CB 3.47Å; V307-N311 PolarHBondContact O-N 2.95Å; V307-N311 PolarHBondContact O-ND2 2.72Å; V307-N311 PolarHBondContact O-OD1 2.76Å; D308-N311 PolarHBondContact O-N 3.4Å; D308-N311 VanDerWaalsContact O-N 3.09Å; N311-Q320 HydrophobicContact CB-CG 4.25Å; N311-Q320 PolarHBondContact O-NE2 3.06Å; N311-Q320 VanDerWaalsContact OD1-CA 3.29Å; N311-Q320 WeakPolarHBondContact OD1-CA 3.29Å; N311-Q320 WeakPolarHBondContact OD1-CB 3.14Å; N311-M321 PolarHBondContact ND2-O 3.25Å; N311-M321 PolarHBondContact OD1-N 2.72Å |
| 312 | L | 94.3 | Very high | 94.8 | Very high | 145 Ų | 145 | 73.2 Ų | 73.2 | 76% | 0.759 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -77.9 | -28.8 | 175.7 | -65.3 | 174.3 | 0 | 0 | 0 | 113.6 | D308 D309 Y310 | D308-L312 WeakPolarHBondContact O-CG 3.48Å; D308-L312 PolarHBondContact O-N 3.13Å; D308-L312 VanDerWaalsContact O-N 3.12Å; D309-L312 PolarHBondContact O-N 3.39Å; Y310-L312 PolarHBondContact O-N 2.84Å; Y310-L312 VanDerWaalsContact O-N 3.17Å |
| 313 | I | 93.6 | Very high | 94.8 | Very high | 80 Ų | 80 | 70.5 Ų | 70.5 | 41% | 0.41 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -100.7 | -9.5 | -173.9 | 62.8 | 173.5 | 0 | 0 | 0 | 114 | W252 T255 D309 Y310 | W252-I313 HydrophobicContact CB-CD1 3.74Å; W252-I313 HydrophobicContact CB-CG1 3.84Å; T255-I313 HydrophobicContact CG2-CD1 4.33Å; D309-I313 WeakPolarHBondContact O-CG1 3.31Å; D309-I313 PolarHBondContact O-N 2.73Å; Y310-I313 VanDerWaalsContact O-CG1 3.23Å; Y310-I313 WeakPolarHBondContact O-CG1 3.35Å; Y310-I313 PolarHBondContact O-N 3.45Å |
| 314 | V | 95.4 | Very high | 94.7 | Very high | 19 Ų | 19 | 71.4 Ų | 71.4 | 12% | 0.115 | 39% | 0.389 | C | S | . | . | trans | -75.1 | 136.1 | -173.9 | 161.5 | 0 | 0 | 0 | 0 | 111.5 | W252 Y310 M316 M319 | W252-V314 HydrophobicContact CB-CG2 4.31Å; Y310-V314 HydrophobicContact CD1-CG2 3.85Å; Y310-V314 HydrophobicContact CD2-CG2 3.55Å; Y310-V314 HydrophobicContact CE1-CG2 3.53Å; Y310-V314 HydrophobicContact CE2-CG2 3.19Å; Y310-V314 HydrophobicContact CG-CG2 3.87Å; Y310-V314 WeakPolarHBondContact O-CG2 3.26Å; Y310-V314 PolarHBondContact O-N 3.46Å; Y310-V314 VanDerWaalsContact O-N 3.15Å; V314-M316 WeakPolarHBondContact CG1-O 3.48Å; V314-M316 PolarHBondContact O-N 3.42Å; V314-M319 HydrophobicContact CG1-CB 3.37Å; V314-M319 HydrophobicContact CG1-CG 4.4Å; V314-M319 HydrophobicContact CG1-SD 4.34Å | ||
| 315 | P | 91.4 | Very high | 94.6 | Very high | 89 Ų | 89 | 72.4 Ų | 72.4 | 58% | 0.578 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -75.4 | -18.9 | -174.7 | 28.5 | -35.8 | 0 | 0 | 0 | 114.6 | M319 | P315-M319 HydrophobicContact CG-SD 4.36Š|
| 316 | M | 92.1 | Very high | 94.5 | Very high | 119 Ų | 119 | 67.7 Ų | 67.7 | 59% | 0.586 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -131.9 | 133.7 | -175.4 | -64.7 | -172.3 | -72.6 | 0 | 0 | 111.8 | V314 G318 M319 | V314-M316 WeakPolarHBondContact CG1-O 3.48Å; V314-M316 PolarHBondContact O-N 3.42Å; M316-G318 VanDerWaalsContact C-N 3.25Å; M316-G318 PolarHBondContact O-N 2.87Å; M316-M319 HydrophobicContact CB-CG 4.16Å; M316-M319 HydrophobicContact CB-SD 4.08Å; M316-M319 HydrophobicContact CE-CG 4.1Å; M316-M319 HydrophobicContact CE-SD 3.34Å; M316-M319 WeakPolarHBondContact CE-SD 3.43Å; M316-M319 WeakPolarHBondContact O-CB 3.43Å; M316-M319 PolarHBondContact O-N 3.26Å |
| 317 | L | 90.5 | Very high | 94.3 | Very high | 139 Ų | 139 | 68.3 Ų | 68.3 | 73% | 0.728 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -57.4 | -37.6 | -178.6 | -163.9 | 75.1 | 0 | 0 | 0 | 112.7 | M319 Q320 | L317-M319 PolarHBondContact O-N 2.89Å; L317-M319 VanDerWaalsContact O-N 3.14Å; L317-Q320 VanDerWaalsContact CD1-OE1 3.27Å; L317-Q320 WeakPolarHBondContact O-CB 3.41Å; L317-Q320 WeakPolarHBondContact O-CG 3.36Å; L317-Q320 PolarHBondContact O-N 3.34Å; L317-Q320 VanDerWaalsContact O-N 3.1Å |
| 318 | G | 93.1 | Very high | 94.2 | Very high | 82 Ų | 82 | 76.3 Ų | 76.3 | 85% | 0.845 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -66.7 | -11.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | M316 | M316-G318 VanDerWaalsContact C-N 3.25Å; M316-G318 PolarHBondContact O-N 2.87Å |
| 319 | M | 92.8 | Very high | 94 | Very high | 45 Ų | 45 | 73.9 Ų | 73.9 | 22% | 0.222 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -93.2 | -6 | 175.8 | -67.6 | 176.3 | 77.1 | 0 | 0 | 112.9 | W252 Y310 V314 P315 M316 L317 | W252-M319 HydrophobicContact CE3-CE 3.88Å; W252-M319 HydrophobicContact CH2-CE 3.9Å; W252-M319 HydrophobicContact CZ3-CE 3.38Å; Y310-M319 WeakPolarHBondContact CE1-O 3.33Å; Y310-M319 PolarHBondContact OH-O 3.13Å; V314-M319 HydrophobicContact CG1-CB 3.37Å; V314-M319 HydrophobicContact CG1-CG 4.4Å; V314-M319 HydrophobicContact CG1-SD 4.34Å; P315-M319 HydrophobicContact CG-SD 4.36Å; M316-M319 HydrophobicContact CB-CG 4.16Å; M316-M319 HydrophobicContact CB-SD 4.08Å; M316-M319 HydrophobicContact CE-CG 4.1Å; M316-M319 HydrophobicContact CE-SD 3.34Å; M316-M319 WeakPolarHBondContact CE-SD 3.43Å; M316-M319 WeakPolarHBondContact O-CB 3.43Å; M316-M319 PolarHBondContact O-N 3.26Å; L317-M319 PolarHBondContact O-N 2.89Å; L317-M319 VanDerWaalsContact O-N 3.14Å |
| 320 | Q | 95.1 | Very high | 93.9 | Very high | 91 Ų | 91 | 70.5 Ų | 70.5 | 43% | 0.425 | 40% | 0.395 | S | S | . | . | trans | -64.8 | 149.6 | 176.5 | -69.5 | -176.4 | -19.8 | 0 | 0 | 111.3 | N311 L317 | N311-Q320 HydrophobicContact CB-CG 4.25Å; N311-Q320 PolarHBondContact O-NE2 3.06Å; N311-Q320 VanDerWaalsContact OD1-CA 3.29Å; N311-Q320 WeakPolarHBondContact OD1-CA 3.29Å; N311-Q320 WeakPolarHBondContact OD1-CB 3.14Å; L317-Q320 VanDerWaalsContact CD1-OE1 3.27Å; L317-Q320 WeakPolarHBondContact O-CB 3.41Å; L317-Q320 WeakPolarHBondContact O-CG 3.36Å; L317-Q320 PolarHBondContact O-N 3.34Å; L317-Q320 VanDerWaalsContact O-N 3.1Å | ||
| 321 | M | 93.9 | Very high | 93.7 | Very high | 48 Ų | 48 | 72 Ų | 72 | 24% | 0.236 | 41% | 0.407 | C | S | . | . | trans | -113.3 | 145.2 | -177.1 | -73.4 | -177.3 | 59.6 | 0 | 0 | 111.2 | I259 V307 Y310 N311 F324 | I259-M321 HydrophobicContact CG2-CE 3.47Å; I259-M321 VanDerWaalsContact CG2-CE 3.47Å; I259-M321 HydrophobicContact CG2-SD 4.06Å; V307-M321 HydrophobicContact CG1-CB 3.8Å; V307-M321 WeakPolarHBondContact CG1-O 3.38Å; V307-M321 HydrophobicContact CG2-CE 4.49Å; Y310-M321 HydrophobicContact CD1-CB 4.42Å; Y310-M321 HydrophobicContact CD1-CG 4.27Å; Y310-M321 HydrophobicContact CD1-SD 4.3Å; Y310-M321 HydrophobicContact CE1-CB 4.34Å; Y310-M321 HydrophobicContact CE1-CG 3.78Å; Y310-M321 HydrophobicContact CE1-SD 3.98Å; N311-M321 PolarHBondContact ND2-O 3.25Å; N311-M321 PolarHBondContact OD1-N 2.72Å; M321-F324 HydrophobicContact CE-CE2 4.11Å; M321-F324 HydrophobicContact CE-CZ 3.73Å | ||
| 322 | V | 94.7 | Very high | 93.6 | Very high | 119 Ų | 119 | 76.7 Ų | 76.7 | 72% | 0.721 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 148.4 | 173.5 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 323 | H | 95.8 | Very high | 93.5 | Very high | 85 Ų | 85 | 70.1 Ų | 70.1 | 39% | 0.394 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 146.4 | 173.4 | -68.1 | 175.3 | 0 | 0 | 0 | 113.1 | N304 D308 | N304-H323 WeakPolarHBondContact OD1-CA 3.48Å; D308-H323 VanDerWaalsContact CG-NE2 3.32Å; D308-H323 IonicContact OD1-CD2 3.84Å; D308-H323 IonicContact OD1-CE1 3.92Å; D308-H323 PolarHBondContact OD1-CE1 3.05Å; D308-H323 IonicContact OD1-NE2 3.08Å; D308-H323 PolarHBondContact OD1-NE2 3.01Å; D308-H323 IonicContact OD2-CE1 3.87Å; D308-H323 IonicContact OD2-NE2 3.55Å; D308-H323 PolarHBondContact OD2-NE2 3.24Å |
| 324 | F | 95.2 | Very high | 93.4 | Very high | 29 Ų | 29 | 69.4 Ų | 69.4 | 13% | 0.127 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 129.2 | 172.5 | -59.6 | -81.1 | 0 | 0 | 0 | 109.2 | I259 A263 L300 L303 N304 V307 M321 | I259-F324 HydrophobicContact CG2-CE2 3.94Å; I259-F324 HydrophobicContact CG2-CZ 4.25Å; A263-F324 HydrophobicContact CB-CE1 4.13Å; A263-F324 HydrophobicContact CB-CZ 3.95Å; L300-F324 HydrophobicContact CD2-CB 3.63Å; L300-F324 HydrophobicContact CD2-CG 4.44Å; L303-F324 HydrophobicContact CD2-CD2 3.63Å; L303-F324 HydrophobicContact CD2-CE2 3.76Å; L303-F324 HydrophobicContact CD2-CG 4.33Å; L303-F324 HydrophobicContact CG-CD2 4.06Å; L303-F324 HydrophobicContact CG-CE2 4.11Å; N304-F324 PolarHBondContact ND2-O 2.81Å; N304-F324 PolarHBondContact OD1-N 3.13Å; V307-F324 HydrophobicContact CG2-CD2 4.33Å; V307-F324 HydrophobicContact CG2-CE2 3.87Å; M321-F324 HydrophobicContact CE-CE2 4.11Å; M321-F324 HydrophobicContact CE-CZ 3.73Å |
| 325 | S | 95.1 | Very high | 93.2 | Very high | 48 Ų | 48 | 76.6 Ų | 76.6 | 34% | 0.336 | 41% | 0.409 | S | S | . | . | trans | -105.9 | 135.7 | 174.9 | 71.5 | 0 | 0 | 0 | 0 | 111.5 | A327 R328 E329 | S325-A327 VanDerWaalsContact C-N 3.32Å; S325-A327 PolarHBondContact O-N 3.4Å; S325-R328 PolarHBondContact O-N 3.37Å; S325-R328 VanDerWaalsContact OG-CB 3.31Å; S325-R328 WeakPolarHBondContact OG-CB 3.47Å; S325-R328 WeakPolarHBondContact OG-CD 3.48Å; S325-R328 WeakPolarHBondContact OG-CG 3.47Å; S325-E329 PolarHBondContact O-N 3.28Å | ||
| 326 | L | 93.2 | Very high | 93.3 | Very high | 39 Ų | 39 | 74.5 Ų | 74.5 | 20% | 0.204 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56.6 | -46.3 | -178.9 | 179.5 | 68.7 | 0 | 0 | 0 | 111.5 | C293 V296 E297 L300 R328 E329 A330 | C293-L326 HydrophobicContact CB-CD1 4.47Å; C293-L326 HydrophobicContact CB-CD2 4.3Å; V296-L326 HydrophobicContact CB-CD1 4.41Å; V296-L326 HydrophobicContact CG1-CD1 3.99Å; E297-L326 HydrophobicContact CB-CD2 4.1Å; E297-L326 HydrophobicContact CG-CD2 4.32Å; L300-L326 HydrophobicContact CD1-CB 4Å; L300-L326 HydrophobicContact CD1-CD1 3.89Å; L326-R328 VanDerWaalsContact C-N 3.31Å; L326-R328 PolarHBondContact O-N 3.47Å; L326-E329 PolarHBondContact O-N 3.23Å; L326-A330 VanDerWaalsContact O-CB 3.23Å; L326-A330 WeakPolarHBondContact O-CB 3.29Å; L326-A330 PolarHBondContact O-N 2.86Å |
| 327 | A | 93.1 | Very high | 93.2 | Very high | 78 Ų | 78 | 69 Ų | 69 | 65% | 0.645 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.2 | -41.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S325 A331 | S325-A327 VanDerWaalsContact C-N 3.32Å; S325-A327 PolarHBondContact O-N 3.4Å; A327-A331 VanDerWaalsContact O-CB 3.28Å; A327-A331 WeakPolarHBondContact O-CB 3.47Å; A327-A331 PolarHBondContact O-N 3.4Å |
| 328 | R | 94.2 | Very high | 93.2 | Very high | 169 Ų | 169 | 66.7 Ų | 66.7 | 64% | 0.638 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -70.6 | -42.1 | 179.1 | -71.1 | 176.5 | 72.1 | -163 | 4 | 111.7 | S325 L326 R332 | S325-R328 PolarHBondContact O-N 3.37Å; S325-R328 VanDerWaalsContact OG-CB 3.31Å; S325-R328 WeakPolarHBondContact OG-CB 3.47Å; S325-R328 WeakPolarHBondContact OG-CD 3.48Å; S325-R328 WeakPolarHBondContact OG-CG 3.47Å; L326-R328 VanDerWaalsContact C-N 3.31Å; L326-R328 PolarHBondContact O-N 3.47Å; R328-R332 VanDerWaalsContact O-CB 3.31Å; R328-R332 WeakPolarHBondContact O-CB 3.46Å; R328-R332 PolarHBondContact O-N 2.98Å |
| 329 | E | 93.6 | Very high | 93.1 | Very high | 16 Ų | 16 | 68.3 Ų | 68.3 | 8% | 0.075 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -72.3 | -35.3 | 180 | -66.6 | -64.3 | 158.3 | 0 | 0 | 111.9 | R267 L270 S325 L326 R332 A333 | R267-E329 VanDerWaalsContact CG-OE2 3.31Å; R267-E329 WeakPolarHBondContact CG-OE2 3.43Å; R267-E329 IonicContact CZ-OE1 2.62Å; R267-E329 IonicContact CZ-OE2 2.95Å; R267-E329 IonicContact NE-OE1 3.33Å; R267-E329 PolarHBondContact NE-OE1 3.17Å; R267-E329 IonicContact NE-OE2 3.59Å; R267-E329 PolarHBondContact NE-OE2 3.22Å; R267-E329 IonicContact NH2-OE1 3.39Å; R267-E329 PolarHBondContact NH2-OE1 3.49Å; R267-E329 IonicContact NH2-OE2 3.96Å; L270-E329 HydrophobicContact CD1-CB 3.87Å; S325-E329 PolarHBondContact O-N 3.28Å; L326-E329 PolarHBondContact O-N 3.23Å; E329-R332 WeakPolarHBondContact O-CB 3.41Å; E329-R332 PolarHBondContact O-N 3.49Å; E329-R332 IonicContact OE2-NE 3.48Å; E329-A333 WeakPolarHBondContact O-CB 3.45Å; E329-A333 PolarHBondContact O-N 2.96Å |
| 330 | A | 92 | Very high | 92.9 | Very high | 12 Ų | 12 | 72.6 Ų | 72.6 | 10% | 0.099 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | W289 L326 R332 A333 Q334 | W289-A330 HydrophobicContact CZ2-CB 4.3Å; L326-A330 VanDerWaalsContact O-CB 3.23Å; L326-A330 WeakPolarHBondContact O-CB 3.29Å; L326-A330 PolarHBondContact O-N 2.86Å; A330-R332 VanDerWaalsContact C-N 3.3Å; A330-R332 PolarHBondContact O-N 3.19Å; A330-A333 PolarHBondContact O-N 3.39Å; A330-Q334 WeakPolarHBondContact O-CG 3.27Å; A330-Q334 PolarHBondContact O-N 2.9Å |
| 331 | A | 93 | Very high | 92.5 | Very high | 31 Ų | 31 | 71.3 Ų | 71.3 | 26% | 0.256 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | A327 Q334 R335 | A327-A331 VanDerWaalsContact O-CB 3.28Å; A327-A331 WeakPolarHBondContact O-CB 3.47Å; A327-A331 PolarHBondContact O-N 3.4Å; A331-Q334 PolarHBondContact O-N 3.42Å; A331-R335 WeakPolarHBondContact O-CG 3.46Å; A331-R335 PolarHBondContact O-N 3.05Å |
| 332 | R | 93 | Very high | 92.3 | Very high | 127 Ų | 127 | 71.6 Ų | 71.6 | 48% | 0.479 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.4 | -48 | 172.4 | 179.3 | -172 | -72.8 | -94.2 | 1.3 | 110.9 | R328 E329 A330 Q334 R335 V336 | R328-R332 VanDerWaalsContact O-CB 3.31Å; R328-R332 WeakPolarHBondContact O-CB 3.46Å; R328-R332 PolarHBondContact O-N 2.98Å; E329-R332 WeakPolarHBondContact O-CB 3.41Å; E329-R332 PolarHBondContact O-N 3.49Å; E329-R332 IonicContact OE2-NE 3.48Å; A330-R332 VanDerWaalsContact C-N 3.3Å; A330-R332 PolarHBondContact O-N 3.19Å; R332-Q334 VanDerWaalsContact C-N 3.31Å; R332-Q334 PolarHBondContact O-N 3.24Å; R332-R335 PolarHBondContact O-N 3.34Å; R332-V336 HydrophobicContact CG-CG2 4.45Å; R332-V336 VanDerWaalsContact O-CG2 3.31Å; R332-V336 WeakPolarHBondContact O-CG2 3.32Å; R332-V336 PolarHBondContact O-N 3Å |
| 333 | A | 93 | Very high | 92.1 | Very high | 7 Ų | 7 | 71.8 Ų | 71.8 | 6% | 0.058 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -39 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L270 E329 A330 A337 | L270-A333 HydrophobicContact CB-CB 3.87Å; E329-A333 WeakPolarHBondContact O-CB 3.45Å; E329-A333 PolarHBondContact O-N 2.96Å; A330-A333 PolarHBondContact O-N 3.39Å; A333-A337 VanDerWaalsContact O-CB 3.27Å; A333-A337 WeakPolarHBondContact O-CB 3.3Å; A333-A337 PolarHBondContact O-N 3.46Å |
| 334 | Q | 90.6 | Very high | 91.9 | Very high | 66 Ų | 66 | 72.9 Ų | 72.9 | 31% | 0.308 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.8 | -52.4 | 174.4 | -71.9 | 173.1 | -13.2 | 0 | 0 | 112 | R274 A330 A331 R332 V336 A337 E338 | R274-Q334 HydrophobicContact CG-CG 4.43Å; A330-Q334 WeakPolarHBondContact O-CG 3.27Å; A330-Q334 PolarHBondContact O-N 2.9Å; A331-Q334 PolarHBondContact O-N 3.42Å; R332-Q334 VanDerWaalsContact C-N 3.31Å; R332-Q334 PolarHBondContact O-N 3.24Å; Q334-V336 VanDerWaalsContact C-N 3.34Å; Q334-V336 PolarHBondContact O-N 3.44Å; Q334-A337 PolarHBondContact O-N 3Å; Q334-A337 VanDerWaalsContact O-N 3.16Å; Q334-E338 WeakPolarHBondContact O-CG 3.29Å; Q334-E338 PolarHBondContact O-N 3.35Å |
| 335 | R | 92.1 | Very high | 91.6 | Very high | 169 Ų | 169 | 76.1 Ų | 76.1 | 64% | 0.638 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58.3 | -44.6 | 178.7 | -69.2 | 174.8 | -171.7 | -179.9 | 2 | 112.3 | A331 R332 E338 Q339 | A331-R335 WeakPolarHBondContact O-CG 3.46Å; A331-R335 PolarHBondContact O-N 3.05Å; R332-R335 PolarHBondContact O-N 3.34Å; R335-E338 PolarHBondContact O-N 2.96Å; R335-Q339 WeakPolarHBondContact O-CB 3.39Å; R335-Q339 VanDerWaalsContact O-CG 3.27Å; R335-Q339 WeakPolarHBondContact O-CG 3.26Å; R335-Q339 PolarHBondContact O-N 3.13Å |
| 336 | V | 93.4 | Very high | 91.5 | Very high | 45 Ų | 45 | 78.6 Ų | 78.6 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67 | -38.3 | 179.2 | 176.1 | 0 | 0 | 0 | 0 | 111 | L271 R332 Q334 Q339 R340 | L271-V336 HydrophobicContact CD1-CB 3.99Å; L271-V336 HydrophobicContact CD1-CG1 3.73Å; L271-V336 HydrophobicContact CD2-CG1 3.96Å; R332-V336 HydrophobicContact CG-CG2 4.45Å; R332-V336 VanDerWaalsContact O-CG2 3.31Å; R332-V336 WeakPolarHBondContact O-CG2 3.32Å; R332-V336 PolarHBondContact O-N 3Å; Q334-V336 VanDerWaalsContact C-N 3.34Å; Q334-V336 PolarHBondContact O-N 3.44Å; V336-Q339 PolarHBondContact O-N 3.32Å; V336-R340 WeakPolarHBondContact O-CB 3.01Å; V336-R340 WeakPolarHBondContact O-CG 3.48Å; V336-R340 PolarHBondContact O-N 3.42Å |
| 337 | A | 90.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 80.1 Ų | 80.1 | 3% | 0.025 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L271 R274 A333 Q334 R340 R341 | L271-A337 HydrophobicContact CD1-CB 4.18Å; R274-A337 HydrophobicContact CB-CB 4.34Å; R274-A337 HydrophobicContact CG-CB 3.59Å; A333-A337 VanDerWaalsContact O-CB 3.27Å; A333-A337 WeakPolarHBondContact O-CB 3.3Å; A333-A337 PolarHBondContact O-N 3.46Å; Q334-A337 PolarHBondContact O-N 3Å; Q334-A337 VanDerWaalsContact O-N 3.16Å; A337-R340 PolarHBondContact O-N 2.87Å; A337-R341 VanDerWaalsContact O-CG 3.26Å; A337-R341 WeakPolarHBondContact O-CG 3.45Å; A337-R341 PolarHBondContact O-N 3.3Å |
| 338 | E | 89.1 | Confident | 91.4 | Very high | 91 Ų | 91 | 83.9 Ų | 83.9 | 43% | 0.425 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 175.1 | -74 | 162.6 | -162.2 | 0 | 0 | 111.6 | Q334 R335 R341 A342 | Q334-E338 WeakPolarHBondContact O-CG 3.29Å; Q334-E338 PolarHBondContact O-N 3.35Å; R335-E338 PolarHBondContact O-N 2.96Å; E338-R341 PolarHBondContact O-N 2.93Å; E338-A342 PolarHBondContact O-N 3.46Å |
| 339 | Q | 91 | Very high | 91.3 | Very high | 116 Ų | 116 | 81.4 Ų | 81.4 | 54% | 0.542 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.9 | -50.1 | 175 | -74.5 | 171.7 | -13.1 | 0 | 0 | 111.6 | R335 V336 R341 A342 E343 | R335-Q339 WeakPolarHBondContact O-CB 3.39Å; R335-Q339 VanDerWaalsContact O-CG 3.27Å; R335-Q339 WeakPolarHBondContact O-CG 3.26Å; R335-Q339 PolarHBondContact O-N 3.13Å; V336-Q339 PolarHBondContact O-N 3.32Å; Q339-R341 VanDerWaalsContact C-N 3.26Å; Q339-R341 PolarHBondContact O-N 3.27Å; Q339-A342 WeakPolarHBondContact O-CB 3.48Å; Q339-A342 PolarHBondContact O-N 2.99Å; Q339-A342 VanDerWaalsContact O-N 3.11Å; Q339-E343 WeakPolarHBondContact O-CG 3.34Å; Q339-E343 PolarHBondContact O-N 3.35Å |
| 340 | R | 89.3 | Confident | 91.3 | Very high | 136 Ų | 136 | 86.3 Ų | 86.3 | 51% | 0.513 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.1 | -38.4 | 177 | -75.6 | 179.2 | 176.8 | -165.2 | -1.1 | 112.4 | L271 V336 A337 L344 | L271-R340 VanDerWaalsContact CD2-NH1 3.35Å; V336-R340 WeakPolarHBondContact O-CB 3.01Å; V336-R340 WeakPolarHBondContact O-CG 3.48Å; V336-R340 PolarHBondContact O-N 3.42Å; A337-R340 PolarHBondContact O-N 2.87Å; R340-L344 WeakPolarHBondContact O-CB 3.39Å; R340-L344 WeakPolarHBondContact O-CG 3.41Å; R340-L344 PolarHBondContact O-N 3.17Å |
| 341 | R | 87.1 | Confident | 91.3 | Very high | 64 Ų | 64 | 90.4 Ų | 90.4 | 24% | 0.242 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 176 | -73.1 | 168.4 | -175.4 | -169.8 | -2 | 111.8 | R274 A275 L277 D279 A337 E338 Q339 L344 L345 | R274-R341 PolarHBondContact O-NH2 3.23Å; A275-R341 PolarHBondContact O-NH2 3.09Å; L277-R341 PolarHBondContact O-NH2 3.4Å; D279-R341 VanDerWaalsContact CB-NH1 3.26Å; A337-R341 VanDerWaalsContact O-CG 3.26Å; A337-R341 WeakPolarHBondContact O-CG 3.45Å; A337-R341 PolarHBondContact O-N 3.3Å; E338-R341 PolarHBondContact O-N 2.93Å; Q339-R341 VanDerWaalsContact C-N 3.26Å; Q339-R341 PolarHBondContact O-N 3.27Å; R341-L344 PolarHBondContact O-N 3.12Å; R341-L345 WeakPolarHBondContact O-CG 3.48Å; R341-L345 PolarHBondContact O-N 3.09Å |
| 342 | A | 89.2 | Confident | 91.1 | Very high | 54 Ų | 54 | 97.1 Ų | 97.1 | 45% | 0.446 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E338 Q339 L345 Q346 | E338-A342 PolarHBondContact O-N 3.46Å; Q339-A342 WeakPolarHBondContact O-CB 3.48Å; Q339-A342 PolarHBondContact O-N 2.99Å; Q339-A342 VanDerWaalsContact O-N 3.11Å; A342-L345 PolarHBondContact O-N 2.99Å; A342-Q346 WeakPolarHBondContact O-CG 3.22Å; A342-Q346 PolarHBondContact O-N 2.9Å |
| 343 | E | 91.5 | Very high | 91.1 | Very high | 122 Ų | 122 | 95.3 Ų | 95.3 | 57% | 0.57 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -58.3 | -48.2 | 174.9 | -71.8 | 169.5 | -175 | 0 | 0 | 111.6 | Q339 L345 Q346 V347 | Q339-E343 WeakPolarHBondContact O-CG 3.34Å; Q339-E343 PolarHBondContact O-N 3.35Å; E343-L345 VanDerWaalsContact C-N 3.28Å; E343-L345 PolarHBondContact O-N 3.45Å; E343-Q346 PolarHBondContact O-N 2.91Å; E343-Q346 VanDerWaalsContact O-N 3.11Å; E343-V347 WeakPolarHBondContact O-CG2 3.45Å; E343-V347 PolarHBondContact O-N 3.14Å |
| 344 | L | 90 | Very high | 91 | Very high | 108 Ų | 108 | 103 Ų | 103 | 57% | 0.565 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.1 | -36.6 | 176.6 | -73.4 | 170 | 0 | 0 | 0 | 112.7 | R340 R341 R348 | R340-L344 WeakPolarHBondContact O-CB 3.39Å; R340-L344 WeakPolarHBondContact O-CG 3.41Å; R340-L344 PolarHBondContact O-N 3.17Å; R341-L344 PolarHBondContact O-N 3.12Å; L344-R348 WeakPolarHBondContact O-CB 3.29Å; L344-R348 VanDerWaalsContact O-CG 3.26Å; L344-R348 WeakPolarHBondContact O-CG 3.4Å; L344-R348 PolarHBondContact O-N 3.49Å |
| 345 | L | 89.7 | Confident | 91.1 | Very high | 98 Ų | 98 | 107.7 Ų | 107.7 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.5 | -37.2 | 175.6 | -72.1 | 172.9 | 0 | 0 | 0 | 112 | R341 A342 E343 K349 | R341-L345 WeakPolarHBondContact O-CG 3.48Å; R341-L345 PolarHBondContact O-N 3.09Å; A342-L345 PolarHBondContact O-N 2.99Å; E343-L345 VanDerWaalsContact C-N 3.28Å; E343-L345 PolarHBondContact O-N 3.45Å; L345-K349 VanDerWaalsContact O-CG 3.3Å; L345-K349 WeakPolarHBondContact O-CG 3.42Å; L345-K349 PolarHBondContact O-N 2.75Å |
| 346 | Q | 92.2 | Very high | 91 | Very high | 100 Ų | 100 | 104.6 Ų | 104.6 | 47% | 0.467 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.6 | -49.1 | 174.9 | -67.4 | -61.7 | -4.6 | 0 | 0 | 111.1 | A342 E343 R348 K349 E350 | A342-Q346 WeakPolarHBondContact O-CG 3.22Å; A342-Q346 PolarHBondContact O-N 2.9Å; E343-Q346 PolarHBondContact O-N 2.91Å; E343-Q346 VanDerWaalsContact O-N 3.11Å; Q346-R348 VanDerWaalsContact C-N 3.28Å; Q346-R348 PolarHBondContact O-N 3.18Å; Q346-K349 WeakPolarHBondContact O-CA 3.39Å; Q346-K349 WeakPolarHBondContact O-CB 3.42Å; Q346-K349 PolarHBondContact O-N 3.2Å; Q346-E350 WeakPolarHBondContact O-CG 3.38Å; Q346-E350 PolarHBondContact O-N 3.01Å |
| 347 | V | 93.8 | Very high | 90.9 | Very high | 71 Ų | 71 | 107 Ų | 107 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -55.7 | -44.5 | 176 | 173.4 | 0 | 0 | 0 | 0 | 111 | E343 K349 E350 E351 | E343-V347 WeakPolarHBondContact O-CG2 3.45Å; E343-V347 PolarHBondContact O-N 3.14Å; V347-K349 VanDerWaalsContact C-N 3.33Å; V347-K349 PolarHBondContact O-N 3.31Å; V347-E350 PolarHBondContact O-N 3.29Å; V347-E351 WeakPolarHBondContact O-CG 3.38Å; V347-E351 PolarHBondContact O-N 3.06Å |
| 348 | R | 91.7 | Very high | 90.8 | Very high | 156 Ų | 156 | 112.4 Ų | 112.4 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.2 | -34.4 | 175.8 | -77.6 | 175.5 | 173.7 | -171.6 | -0.4 | 113.4 | L344 Q346 R352 | L344-R348 WeakPolarHBondContact O-CB 3.29Å; L344-R348 VanDerWaalsContact O-CG 3.26Å; L344-R348 WeakPolarHBondContact O-CG 3.4Å; L344-R348 PolarHBondContact O-N 3.49Å; Q346-R348 VanDerWaalsContact C-N 3.28Å; Q346-R348 PolarHBondContact O-N 3.18Å; R348-R352 WeakPolarHBondContact O-CB 3.45Å; R348-R352 WeakPolarHBondContact O-CD 3.46Å; R348-R352 WeakPolarHBondContact O-CG 3.31Å; R348-R352 PolarHBondContact O-N 3.33Å; R348-R352 VanDerWaalsContact O-N 3.17Å |
| 349 | K | 91.4 | Very high | 90.7 | Very high | 118 Ų | 118 | 115.4 Ų | 115.4 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.3 | -46.3 | 175.9 | -75.4 | 172.6 | -178.4 | -179.2 | 0 | 110.5 | L345 Q346 V347 E351 R352 E353 | L345-K349 VanDerWaalsContact O-CG 3.3Å; L345-K349 WeakPolarHBondContact O-CG 3.42Å; L345-K349 PolarHBondContact O-N 2.75Å; Q346-K349 WeakPolarHBondContact O-CA 3.39Å; Q346-K349 WeakPolarHBondContact O-CB 3.42Å; Q346-K349 PolarHBondContact O-N 3.2Å; V347-K349 VanDerWaalsContact C-N 3.33Å; V347-K349 PolarHBondContact O-N 3.31Å; K349-E351 PolarHBondContact O-N 3.03Å; K349-R352 WeakPolarHBondContact O-CB 3.42Å; K349-R352 PolarHBondContact O-N 3.38Å; K349-R352 VanDerWaalsContact O-N 3.13Å; K349-E353 PolarHBondContact O-N 3.3Å |
| 350 | E | 93 | Very high | 90.6 | Very high | 118 Ų | 118 | 116.9 Ų | 116.9 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.5 | -46.9 | 176.5 | -69.8 | 172 | -175 | 0 | 0 | 111.3 | Q346 V347 R352 E353 R354 | Q346-E350 WeakPolarHBondContact O-CG 3.38Å; Q346-E350 PolarHBondContact O-N 3.01Å; V347-E350 PolarHBondContact O-N 3.29Å; E350-R352 VanDerWaalsContact C-N 3.31Å; E350-R352 PolarHBondContact O-N 2.93Å; E350-E353 PolarHBondContact O-N 3.42Å; E350-R354 WeakPolarHBondContact O-CG 3.42Å; E350-R354 PolarHBondContact O-N 3.21Å |
| 351 | E | 91.9 | Very high | 90.2 | Very high | 99 Ų | 99 | 118.5 Ų | 118.5 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 174.4 | -77 | -172.2 | 159.5 | 0 | 0 | 112.9 | V347 K349 R354 R355 | V347-E351 WeakPolarHBondContact O-CG 3.38Å; V347-E351 PolarHBondContact O-N 3.06Å; K349-E351 PolarHBondContact O-N 3.03Å; E351-R354 PolarHBondContact O-N 3.46Å; E351-R355 WeakPolarHBondContact O-CB 3.49Å; E351-R355 VanDerWaalsContact O-CG 3.32Å; E351-R355 WeakPolarHBondContact O-CG 3.33Å; E351-R355 PolarHBondContact O-N 3.48Å |
| 352 | R | 90.6 | Very high | 90 | Very high | 171 Ų | 171 | 118.5 Ų | 118.5 | 65% | 0.645 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.3 | -42.3 | 176.5 | -76.9 | 170.6 | 178 | -164.8 | -0.5 | 111.6 | R348 K349 E350 R355 K356 | R348-R352 WeakPolarHBondContact O-CB 3.45Å; R348-R352 WeakPolarHBondContact O-CD 3.46Å; R348-R352 WeakPolarHBondContact O-CG 3.31Å; R348-R352 PolarHBondContact O-N 3.33Å; R348-R352 VanDerWaalsContact O-N 3.17Å; K349-R352 WeakPolarHBondContact O-CB 3.42Å; K349-R352 PolarHBondContact O-N 3.38Å; K349-R352 VanDerWaalsContact O-N 3.13Å; E350-R352 VanDerWaalsContact C-N 3.31Å; E350-R352 PolarHBondContact O-N 2.93Å; R352-R355 PolarHBondContact O-N 3.15Å; R352-K356 VanDerWaalsContact O-CG 3.31Å; R352-K356 WeakPolarHBondContact O-CG 3.49Å; R352-K356 PolarHBondContact O-N 3.5Å |
| 353 | E | 91.9 | Very high | 89.5 | Confident | 89 Ų | 89 | 122.1 Ų | 122.1 | 42% | 0.416 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.4 | -43.1 | 176.3 | -67.2 | -49.2 | 127.3 | 0 | 0 | 111.3 | K349 E350 R355 K356 E357 | K349-E353 PolarHBondContact O-N 3.3Å; E350-E353 PolarHBondContact O-N 3.42Å; E353-R355 PolarHBondContact O-N 2.9Å; E353-K356 WeakPolarHBondContact O-CB 3.35Å; E353-K356 PolarHBondContact O-N 2.85Å; E353-K356 VanDerWaalsContact O-N 3.09Å; E353-K356 IonicContact OE1-NZ 3.4Å; E353-K356 PolarHBondContact OE1-NZ 2.88Å; E353-K356 IonicContact OE2-NZ 2.71Å; E353-E357 WeakPolarHBondContact O-CG 3.42Å; E353-E357 PolarHBondContact O-N 3.41Å |
| 354 | R | 91.8 | Very high | 88.7 | Confident | 169 Ų | 169 | 120.2 Ų | 120.2 | 64% | 0.638 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -57.5 | -46.9 | 173.1 | -68.6 | -177.9 | 84.1 | -158.7 | 3.8 | 112 | E350 E351 K356 E357 E358 | E350-R354 WeakPolarHBondContact O-CG 3.42Å; E350-R354 PolarHBondContact O-N 3.21Å; E351-R354 PolarHBondContact O-N 3.46Å; R354-K356 VanDerWaalsContact C-N 3.31Å; R354-K356 PolarHBondContact O-N 3.4Å; R354-E357 PolarHBondContact O-N 2.97Å; R354-E358 WeakPolarHBondContact O-CG 2.99Å; R354-E358 PolarHBondContact O-N 3Å |
| 355 | R | 91.2 | Very high | 87.7 | Confident | 165 Ų | 165 | 118.7 Ų | 118.7 | 62% | 0.623 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.9 | -35.7 | 175.4 | -74.6 | 178.7 | -176.8 | -162.1 | 3.1 | 112.7 | E351 R352 E353 K359 | E351-R355 WeakPolarHBondContact O-CB 3.49Å; E351-R355 VanDerWaalsContact O-CG 3.32Å; E351-R355 WeakPolarHBondContact O-CG 3.33Å; E351-R355 PolarHBondContact O-N 3.48Å; R352-R355 PolarHBondContact O-N 3.15Å; E353-R355 PolarHBondContact O-N 2.9Å; R355-K359 WeakPolarHBondContact O-CB 3.5Å; R355-K359 VanDerWaalsContact O-CG 3.31Å; R355-K359 WeakPolarHBondContact O-CG 3.17Å; R355-K359 PolarHBondContact O-N 3.38Å |
| 356 | K | 91.4 | Very high | 86.4 | Confident | 104 Ų | 104 | 117.1 Ų | 117.1 | 45% | 0.452 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.2 | -42.9 | 174.9 | -74.5 | 171.3 | -176 | 173.4 | 0 | 111.1 | R352 E353 R354 K359 K360 | R352-K356 VanDerWaalsContact O-CG 3.31Å; R352-K356 WeakPolarHBondContact O-CG 3.49Å; R352-K356 PolarHBondContact O-N 3.5Å; E353-K356 WeakPolarHBondContact O-CB 3.35Å; E353-K356 PolarHBondContact O-N 2.85Å; E353-K356 VanDerWaalsContact O-N 3.09Å; E353-K356 IonicContact OE1-NZ 3.4Å; E353-K356 PolarHBondContact OE1-NZ 2.88Å; E353-K356 IonicContact OE2-NZ 2.71Å; R354-K356 VanDerWaalsContact C-N 3.31Å; R354-K356 PolarHBondContact O-N 3.4Å; K356-K359 PolarHBondContact O-N 3.11Å; K356-K360 WeakPolarHBondContact O-CB 3.47Å; K356-K360 VanDerWaalsContact O-CG 3.3Å; K356-K360 WeakPolarHBondContact O-CG 3.4Å; K356-K360 PolarHBondContact O-N 3.5Å |
| 357 | E | 90.5 | Very high | 84.7 | Confident | 95 Ų | 95 | 122.7 Ų | 122.7 | 44% | 0.444 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.8 | -44.4 | 175.5 | -73.5 | -176.2 | -174 | 0 | 0 | 112 | E353 R354 K360 R361 | E353-E357 WeakPolarHBondContact O-CG 3.42Å; E353-E357 PolarHBondContact O-N 3.41Å; R354-E357 PolarHBondContact O-N 2.97Å; E357-K360 WeakPolarHBondContact O-CB 3.48Å; E357-K360 PolarHBondContact O-N 3.46Å; E357-R361 WeakPolarHBondContact O-CB 3.42Å; E357-R361 VanDerWaalsContact O-CG 3.31Å; E357-R361 WeakPolarHBondContact O-CG 3.33Å; E357-R361 PolarHBondContact O-N 3.01Å; E357-R361 IonicContact OE2-NH2 3.96Å |
| 358 | E | 88.7 | Confident | 82.9 | Confident | 117 Ų | 117 | 124.7 Ų | 124.7 | 55% | 0.547 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.9 | -45.8 | 174.4 | -75 | 172.6 | 178.8 | 0 | 0 | 111.7 | R354 K360 R361 A362 | R354-E358 WeakPolarHBondContact O-CG 2.99Å; R354-E358 PolarHBondContact O-N 3Å; E358-K360 VanDerWaalsContact C-N 3.34Å; E358-K360 PolarHBondContact O-N 3.15Å; E358-R361 PolarHBondContact O-N 2.88Å; E358-A362 WeakPolarHBondContact O-CB 3.16Å; E358-A362 PolarHBondContact O-N 2.88Å |
| 359 | K | 87.8 | Confident | 81.1 | Confident | 153 Ų | 153 | 123.1 Ų | 123.1 | 67% | 0.665 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.6 | -40 | 174.2 | -77 | 179.7 | 179.4 | -172.6 | 0 | 112.4 | R355 K356 A362 N363 | R355-K359 WeakPolarHBondContact O-CB 3.5Å; R355-K359 VanDerWaalsContact O-CG 3.31Å; R355-K359 WeakPolarHBondContact O-CG 3.17Å; R355-K359 PolarHBondContact O-N 3.38Å; K356-K359 PolarHBondContact O-N 3.11Å; K359-A362 PolarHBondContact O-N 3.02Å; K359-N363 WeakPolarHBondContact O-CB 3.47Å; K359-N363 PolarHBondContact O-N 3.38Å |
| 360 | K | 87.1 | Confident | 79.3 | Confident | 147 Ų | 147 | 121.9 Ų | 121.9 | 64% | 0.639 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.4 | -45.5 | 174.6 | -75.9 | 174.1 | -179.5 | 179.3 | 0 | 111 | K356 E357 E358 N363 S364 | K356-K360 WeakPolarHBondContact O-CB 3.47Å; K356-K360 VanDerWaalsContact O-CG 3.3Å; K356-K360 WeakPolarHBondContact O-CG 3.4Å; K356-K360 PolarHBondContact O-N 3.5Å; E357-K360 WeakPolarHBondContact O-CB 3.48Å; E357-K360 PolarHBondContact O-N 3.46Å; E358-K360 VanDerWaalsContact C-N 3.34Å; E358-K360 PolarHBondContact O-N 3.15Å; K360-N363 PolarHBondContact O-N 2.88Å; K360-S364 PolarHBondContact O-N 3.23Å; K360-S364 PolarHBondContact O-OG 2.89Å |
| 361 | R | 82.7 | Confident | 77.6 | Confident | 171 Ų | 171 | 124.2 Ų | 124.2 | 65% | 0.645 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.5 | -44.9 | 176.7 | -70.9 | 176.1 | -171.4 | -171.9 | 5.7 | 111.8 | E357 E358 S364 A365 | E357-R361 WeakPolarHBondContact O-CB 3.42Å; E357-R361 VanDerWaalsContact O-CG 3.31Å; E357-R361 WeakPolarHBondContact O-CG 3.33Å; E357-R361 PolarHBondContact O-N 3.01Å; E357-R361 IonicContact OE2-NH2 3.96Å; E358-R361 PolarHBondContact O-N 2.88Å; R361-S364 WeakPolarHBondContact CA-OG 3.48Å; R361-S364 PolarHBondContact O-N 2.66Å; R361-S364 PolarHBondContact O-OG 3.32Å; R361-A365 WeakPolarHBondContact O-CB 3.36Å; R361-A365 PolarHBondContact O-N 3.28Å |
| 362 | A | 82.1 | Confident | 75.9 | Confident | 64 Ų | 64 | 131.6 Ų | 131.6 | 53% | 0.529 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -63.4 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E358 K359 S364 A365 G366 | E358-A362 WeakPolarHBondContact O-CB 3.16Å; E358-A362 PolarHBondContact O-N 2.88Å; K359-A362 PolarHBondContact O-N 3.02Å; A362-S364 VanDerWaalsContact C-N 3.35Å; A362-S364 PolarHBondContact O-N 3.16Å; A362-A365 PolarHBondContact O-N 3.34Å; A362-G366 PolarHBondContact O-N 3.28Å |
| 363 | N | 79.4 | Confident | 74.3 | Confident | 130 Ų | 130 | 132.9 Ų | 132.9 | 70% | 0.695 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65 | -35 | 174.1 | -96.9 | -7.4 | 0 | 0 | 0 | 112.9 | K359 K360 R367 | K359-N363 WeakPolarHBondContact O-CB 3.47Å; K359-N363 PolarHBondContact O-N 3.38Å; K360-N363 PolarHBondContact O-N 2.88Å; N363-R367 PolarHBondContact O-N 3.26Å |
| 364 | S | 74.2 | Confident | 72.8 | Confident | 82 Ų | 82 | 131.2 Ų | 131.2 | 57% | 0.573 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.3 | -34.9 | 173.3 | 57.2 | 0 | 0 | 0 | 0 | 112.6 | K360 R361 A362 R367 | K360-S364 PolarHBondContact O-N 3.23Å; K360-S364 PolarHBondContact O-OG 2.89Å; R361-S364 WeakPolarHBondContact CA-OG 3.48Å; R361-S364 PolarHBondContact O-N 2.66Å; R361-S364 PolarHBondContact O-OG 3.32Å; A362-S364 VanDerWaalsContact C-N 3.35Å; A362-S364 PolarHBondContact O-N 3.16Å; S364-R367 PolarHBondContact O-N 3.48Å |
| 365 | A | 69.7 | Low | 71.3 | Confident | 75 Ų | 75 | 130 Ų | 130 | 62% | 0.62 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.9 | -34.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | R361 A362 R367 | R361-A365 WeakPolarHBondContact O-CB 3.36Å; R361-A365 PolarHBondContact O-N 3.28Å; A362-A365 PolarHBondContact O-N 3.34Å; A365-R367 PolarHBondContact O-N 3.03Å |
| 366 | G | 60.8 | Low | 69.8 | Low | 66 Ų | 66 | 127.1 Ų | 127.1 | 68% | 0.68 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -72.4 | -11.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A362 T368 | A362-G366 PolarHBondContact O-N 3.28Å; G366-T368 VanDerWaalsContact C-N 3.34Å; G366-T368 PolarHBondContact O-N 3.02Å |
| 367 | R | 57.5 | Low | 68.3 | Low | 217 Ų | 217 | 125.8 Ų | 125.8 | 82% | 0.819 | 67% | 0.667 | S | S | * | * | trans | -92.3 | 60.3 | 173.3 | -113.9 | 175.1 | 165.6 | 174.7 | -4.4 | 110.1 | N363 S364 A365 | N363-R367 PolarHBondContact O-N 3.26Å; S364-R367 PolarHBondContact O-N 3.48Å; A365-R367 PolarHBondContact O-N 3.03Å | ||
| 368 | T | 55.6 | Low | 66.9 | Low | 113 Ų | 113 | 129.4 Ų | 129.4 | 69% | 0.693 | 68% | 0.677 | S | S | * | * | trans | -60.9 | 127.7 | 159.1 | 47.8 | 0 | 0 | 0 | 0 | 107.5 | G366 A370 | G366-T368 VanDerWaalsContact C-N 3.34Å; G366-T368 PolarHBondContact O-N 3.02Å; T368-A370 PolarHBondContact O-N 2.98Å | ||
| 369 | P | 54.6 | Low | 65.4 | Low | 122 Ų | 122 | 130.2 Ų | 130.2 | 79% | 0.792 | 68% | 0.683 | S | S | * | * | trans | -62.2 | 109.2 | -179.8 | 24 | -31.2 | 0 | 0 | 0 | 108.2 | K371 | P369-K371 VanDerWaalsContact C-N 3.29Å; P369-K371 PolarHBondContact O-N 3.29Å | ||
| 370 | A | 53.4 | Low | 64 | Low | 93 Ų | 93 | 130 Ų | 130 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | -56.2 | 102.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | T368 R372 | T368-A370 PolarHBondContact O-N 2.98Å; A370-R372 PolarHBondContact O-N 3.29Å | ||
| 371 | K | 56.6 | Low | 62.7 | Low | 167 Ų | 167 | 127.3 Ų | 127.3 | 73% | 0.726 | 68% | 0.684 | S | S | * | * | trans | -53.8 | 108.4 | -177.3 | -152.4 | 172.5 | -171.3 | 173.2 | 0 | 106.2 | P369 R373 | P369-K371 VanDerWaalsContact C-N 3.29Å; P369-K371 PolarHBondContact O-N 3.29Å; K371-R373 PolarHBondContact O-N 3.38Å | ||
| 372 | R | 55.4 | Low | 61.6 | Low | 254 Ų | 254 | 124.9 Ų | 124.9 | 96% | 0.958 | 68% | 0.683 | S | S | * | * | trans | -63.6 | 79.4 | 172.7 | -72.3 | -176 | 175.6 | -169.1 | -1.3 | 108.1 | A370 G374 | A370-R372 PolarHBondContact O-N 3.29Å; R372-G374 VanDerWaalsContact C-N 3.27Å; R372-G374 PolarHBondContact O-N 3.02Å | ||
| 373 | R | 57.4 | Low | 60.3 | Low | 197 Ų | 197 | 129.5 Ų | 129.5 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | trans | -92.7 | 26.8 | 179.3 | -116.1 | -171.5 | 177.1 | -152.4 | -0.7 | 112 | K371 | K371-R373 PolarHBondContact O-N 3.38Š| ||
| 374 | G | 61.3 | Low | 59 | Low | 55 Ų | 55 | 126.4 Ų | 126.4 | 57% | 0.567 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -104 | -35.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 117 | R372 | R372-G374 VanDerWaalsContact C-N 3.27Å; R372-G374 PolarHBondContact O-N 3.02Å |
| 375 | L | 59.5 | Low | 57.8 | Low | 142 Ų | 142 | 137.3 Ų | 137.3 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -103.3 | -42.8 | -169.6 | -97.5 | 146.6 | 0 | 0 | 0 | 113.8 | W378 M379 | L375-W378 PolarHBondContact O-N 3.36Å; L375-M379 PolarHBondContact O-N 2.93Å |
| 376 | V | 60.6 | Low | 57.2 | Low | 106 Ų | 106 | 140.4 Ų | 140.4 | 64% | 0.642 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -76.1 | -31.5 | -178.2 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | W378 Q380 | V376-W378 VanDerWaalsContact C-N 3.3Å; V376-W378 PolarHBondContact O-N 3.1Å; V376-Q380 PolarHBondContact O-N 3.09Å |
| 377 | S | 59.8 | Low | 57 | Low | 75 Ų | 75 | 144.3 Ų | 144.3 | 52% | 0.524 | 74% | 0.736 | S | S | . | * | H | α-helix | trans | -69.4 | -26.7 | 174.2 | -173.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 378 | W | 60.3 | Low | 56.9 | Low | 171 Ų | 171 | 140.3 Ų | 140.3 | 65% | 0.648 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -81.4 | -33.5 | -178.8 | -165.6 | 75.5 | 0 | 0 | 0 | 112 | L375 V376 S381 L382 | L375-W378 PolarHBondContact O-N 3.36Å; V376-W378 VanDerWaalsContact C-N 3.3Å; V376-W378 PolarHBondContact O-N 3.1Å; W378-S381 PolarHBondContact O-OG 2.99Å; W378-S381 VanDerWaalsContact O-OG 3.12Å; W378-L382 HydrophobicContact CH2-CD1 4.28Å; W378-L382 HydrophobicContact CZ2-CD1 4.35Å; W378-L382 HydrophobicContact CZ3-CD1 4.43Å |
| 379 | M | 56.8 | Low | 57 | Low | 135 Ų | 135 | 141.9 Ų | 141.9 | 67% | 0.665 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -71.1 | -31.9 | 171 | -89.2 | 178.9 | 153.9 | 0 | 0 | 113 | L375 S381 L382 | L375-M379 PolarHBondContact O-N 2.93Å; M379-S381 VanDerWaalsContact C-N 3.35Å; M379-L382 PolarHBondContact O-N 2.87Å |
| 380 | Q | 60 | Low | 57.2 | Low | 148 Ų | 148 | 143.1 Ų | 143.1 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -73.2 | -22.2 | 178.5 | -79 | 177.8 | -13.8 | 0 | 0 | 113.8 | V376 | V376-Q380 PolarHBondContact O-N 3.09Å |
| 381 | S | 59.9 | Low | 57.4 | Low | 90 Ų | 90 | 146.5 Ų | 146.5 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -7.6 | 174.9 | 65.5 | 0 | 0 | 0 | 0 | 114.1 | W378 M379 | W378-S381 PolarHBondContact O-OG 2.99Å; W378-S381 VanDerWaalsContact O-OG 3.12Å; M379-S381 VanDerWaalsContact C-N 3.35Å |
| 382 | L | 58 | Low | 57.5 | Low | 120 Ų | 120 | 145 Ų | 145 | 63% | 0.628 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -102.9 | -3 | -174.8 | -123.5 | 141.7 | 0 | 0 | 0 | 113.3 | W378 M379 | W378-L382 HydrophobicContact CH2-CD1 4.28Å; W378-L382 HydrophobicContact CZ2-CD1 4.35Å; W378-L382 HydrophobicContact CZ3-CD1 4.43Å; M379-L382 PolarHBondContact O-N 2.87Å |
| 383 | L | 56.3 | Low | 57.7 | Low | 161 Ų | 161 | 136.6 Ų | 136.6 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -132.8 | 17 | -170.7 | -101 | 149.9 | 0 | 0 | 0 | 114.8 | ||
| 384 | G | 51.7 | Low | 57.7 | Low | 66 Ų | 66 | 131.6 Ų | 131.6 | 68% | 0.68 | 71% | 0.707 | S | S | * | * | trans | -136.6 | 105.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 385 | Y | 47.9 | Very low | 57.3 | Low | 310 Ų | 310 | 138.5 Ų | 138.5 | 100% | 1.216 | 72% | 0.719 | S | S | * | * | trans | -67.3 | 0 | 158.6 | -107.7 | -98.9 | 0 | 0 | 0 | 111.5 |
Retrieved 385 of 385 residues in 214.7 ms
(Link to these results)