| 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 | 39.2 | Very low | 41.4 | Very low | 237 Ų | 237 | 130.3 Ų | 130.3 | 100% | 1.167 | 84% | 0.844 | S | S | * | * | 0 | 86.3 | 0 | -70.9 | -176.2 | 173.9 | 0 | 0 | 106 | |||||
| 2 | E | 38.3 | Very low | 40.9 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | 70 | 89.8 | 92.2 | -71.1 | -160.6 | 159.5 | 0 | 0 | 112.7 | |||||
| 3 | T | 46.9 | Very low | 41.1 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 80% | 0.798 | 85% | 0.847 | S | S | * | * | 52.8 | 175.2 | 128.8 | 65.7 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 4 | P | 55.4 | Low | 40.9 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 79% | 0.786 | 84% | 0.844 | S | S | * | * | -125.9 | 169.9 | -78.3 | 39 | -20.5 | 0 | 0 | 0 | 111 | |||||
| 5 | G | 34.8 | Very low | 40.6 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | 99.9 | 81.3 | 84.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 6 | A | 44.8 | Very low | 40.3 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 91% | 0.909 | 84% | 0.842 | S | S | * | * | trans | -94 | 125.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 7 | S | 40.3 | Very low | 40 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 85% | 0.853 | 84% | 0.841 | S | S | * | * | trans | -147.7 | 124 | 166.1 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 8 | G | 38.1 | Very low | 39.9 | Very low | 66 Ų | 66 | 135.3 Ų | 135.3 | 68% | 0.68 | 84% | 0.843 | S | S | * | * | trans | -99.7 | 171.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 9 | S | 36.3 | Very low | 39.8 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 84% | 0.839 | 84% | 0.837 | S | S | * | * | trans | 84.2 | 108.4 | 163.3 | -152.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 10 | S | 35 | Very low | 39.5 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | -175.2 | 135.6 | 106.1 | 58.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 11 | L | 46 | Very low | 39.2 | Very low | 167 Ų | 167 | 139 Ų | 139 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | trans | -49.4 | 133.6 | 174.1 | -69.8 | 133.2 | 0 | 0 | 0 | 113.8 | ||||
| 12 | L | 35.3 | Very low | 38.8 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -143.9 | 106.1 | 160.3 | -97.4 | 153.6 | 0 | 0 | 0 | 109.3 | ||||
| 13 | L | 43.7 | Very low | 38.5 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 137.7 | 165.3 | -79.2 | 150.8 | 0 | 0 | 0 | 109.7 | ||
| 14 | P | 39.1 | Very low | 37.6 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 80% | 0.799 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 125.7 | 155.1 | 15 | 2.4 | 0 | 0 | 0 | 110.4 | ||
| 15 | A | 35.3 | Very low | 36.4 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 135 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S17 | A15-S17 PolarHBondContact O-N 3.05Š|
| 16 | A | 36.7 | Very low | 36.1 | Very low | 98 Ų | 98 | 142 Ų | 142 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | trans | -67.4 | 115.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R18 | A16-R18 PolarHBondContact O-N 3.42Š| ||
| 17 | S | 34.4 | Very low | 35.5 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -73.7 | 101.6 | 168.7 | 57 | 0 | 0 | 0 | 0 | 110.1 | A15 | A15-S17 PolarHBondContact O-N 3.05Š| ||
| 18 | R | 37.8 | Very low | 35 | Very low | 232 Ų | 232 | 144.8 Ų | 144.8 | 88% | 0.875 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -75 | 135.9 | 166.3 | -80.1 | 179.6 | 169.3 | -179.4 | -2.5 | 109.7 | A16 | A16-R18 PolarHBondContact O-N 3.42Š|
| 19 | P | 38.1 | Very low | 34.8 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 149.3 | 173.7 | 30.1 | -32.9 | 0 | 0 | 0 | 110.5 | R21 | P19-R21 PolarHBondContact O-N 3.24Š|
| 20 | P | 34 | Very low | 34.8 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 122.3 | 178.9 | 28.7 | -31.7 | 0 | 0 | 0 | 109.5 | K22 | P20-K22 PolarHBondContact O-N 3.35Š|
| 21 | R | 34.4 | Very low | 35 | Very low | 244 Ų | 244 | 141.6 Ų | 141.6 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -60.7 | 109.3 | 167.1 | -76.8 | -179.6 | 172.4 | 178.3 | -4.3 | 108.4 | P19 R23 | P19-R21 PolarHBondContact O-N 3.24Å; R21-R23 PolarHBondContact O-N 3.31Å; R21-R23 VanDerWaalsContact O-N 3.15Å | ||
| 22 | K | 30.7 | Very low | 35.4 | Very low | 203 Ų | 203 | 138.4 Ų | 138.4 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -56 | 114.1 | 160 | -89.4 | 178.7 | 172.7 | 178.4 | 0 | 107.1 | P20 E24 | P20-K22 PolarHBondContact O-N 3.35Å; K22-E24 PolarHBondContact O-N 3.37Å | ||
| 23 | R | 31.8 | Very low | 36.3 | Very low | 243 Ų | 243 | 133.7 Ų | 133.7 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | -69.8 | 119 | 165.6 | -72.1 | -179.8 | 177 | 173.6 | -2.1 | 106.8 | R21 | R21-R23 PolarHBondContact O-N 3.31Å; R21-R23 VanDerWaalsContact O-N 3.15Å | ||
| 24 | E | 27.8 | Very low | 37.5 | Very low | 186 Ų | 186 | 135.5 Ų | 135.5 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -58.1 | 133.6 | 169.7 | -68.3 | 173.7 | 173.3 | 0 | 0 | 109 | K22 G26 | K22-E24 PolarHBondContact O-N 3.37Å; E24-G26 PolarHBondContact O-N 3.32Å | ||
| 25 | A | 30 | Very low | 39.6 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -72.2 | 82.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 26 | G | 29 | Very low | 42.2 | Very low | 65 Ų | 65 | 136.1 Ų | 136.1 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | trans | -72.5 | 137.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | E24 A28 | E24-G26 PolarHBondContact O-N 3.32Å; G26-A28 PolarHBondContact O-N 3.24Å; G26-A28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | E | 32.6 | Very low | 44.8 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 89% | 0.888 | 74% | 0.738 | S | S | * | * | trans | -33.3 | 112.5 | 173.5 | -102.9 | 174.8 | 153.1 | 0 | 0 | 111.8 | G29 | E27-G29 VanDerWaalsContact C-N 3.27Å; E27-G29 PolarHBondContact O-N 3.35Å | ||
| 28 | A | 29.2 | Very low | 47.6 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 84% | 0.835 | 71% | 0.708 | S | S | * | * | trans | -67.7 | 93.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | G26 A30 | G26-A28 PolarHBondContact O-N 3.24Å; G26-A28 VanDerWaalsContact O-N 3.08Å; A28-A30 PolarHBondContact O-N 3.47Å | ||
| 29 | G | 32.8 | Very low | 50.3 | Low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 69% | 0.69 | S | S | * | * | trans | -48.3 | 127.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | E27 A31 | E27-G29 VanDerWaalsContact C-N 3.27Å; E27-G29 PolarHBondContact O-N 3.35Å; G29-A31 PolarHBondContact O-N 3.17Å | ||
| 30 | A | 37.6 | Very low | 52.9 | Low | 78 Ų | 78 | 122.4 Ų | 122.4 | 65% | 0.645 | 67% | 0.669 | S | S | * | * | trans | -44.7 | 106.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | A28 T32 | A28-A30 PolarHBondContact O-N 3.47Å; A30-T32 VanDerWaalsContact C-N 3.26Å; A30-T32 PolarHBondContact O-N 3.07Å | ||
| 31 | A | 38.7 | Very low | 55.8 | Low | 79 Ų | 79 | 123.8 Ų | 123.8 | 65% | 0.653 | 67% | 0.665 | S | S | * | * | trans | -68.6 | 95 | 172.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | G29 S33 | G29-A31 PolarHBondContact O-N 3.17Å; A31-S33 PolarHBondContact O-N 3.28Å | ||
| 32 | T | 53.8 | Low | 58.6 | Low | 100 Ų | 100 | 117 Ų | 117 | 61% | 0.613 | 64% | 0.644 | S | S | * | * | trans | -47.8 | 124.7 | 158.1 | 49.3 | 0 | 0 | 0 | 0 | 105.5 | A30 K34 | A30-T32 VanDerWaalsContact C-N 3.26Å; A30-T32 PolarHBondContact O-N 3.07Å; T32-K34 PolarHBondContact O-N 3.43Å | ||
| 33 | S | 55.3 | Low | 61.6 | Low | 64 Ų | 64 | 109.1 Ų | 109.1 | 45% | 0.448 | 61% | 0.609 | S | S | . | * | trans | -52 | 118.5 | 172.2 | 43.5 | 0 | 0 | 0 | 0 | 105.9 | A31 Q35 | A31-S33 PolarHBondContact O-N 3.28Å; S33-Q35 PolarHBondContact O-N 2.66Å | ||
| 34 | K | 68.1 | Low | 64.5 | Low | 204 Ų | 204 | 101.3 Ų | 101.3 | 89% | 0.887 | 59% | 0.585 | S | S | * | * | trans | -61.1 | 89.2 | -173.2 | -63.7 | -178.1 | 180 | -173.1 | 0 | 108.9 | T32 | T32-K34 PolarHBondContact O-N 3.43Š| ||
| 35 | Q | 84.8 | Confident | 67.6 | Low | 58 Ų | 58 | 98.3 Ų | 98.3 | 27% | 0.271 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 140.9 | 169.3 | -75.5 | 167.7 | -34 | 0 | 0 | 106.8 | S33 V37 L152 R154 T156 | S33-Q35 PolarHBondContact O-N 2.66Å; Q35-V37 PolarHBondContact O-N 3.48Å; Q35-L152 PolarHBondContact NE2-O 3.05Å; Q35-R154 CarbonylContact C-O 3.58Å; Q35-R154 WeakPolarHBondContact CA-O 3.22Å; Q35-T156 HydrophobicContact CB-CG2 3.66Å |
| 36 | R | 89.1 | Confident | 70.6 | Confident | 180 Ų | 180 | 93.5 Ų | 93.5 | 68% | 0.679 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 121.2 | 171.5 | -72.8 | -173.8 | 176.9 | -169.2 | -0.5 | 107.7 | R154 Y155 T156 | R36-R154 PolarHBondContact N-O 3.47Å; R36-Y155 HydrophobicContact CB-CD1 3.83Å; R36-Y155 HydrophobicContact CB-CE1 4.15Å; R36-Y155 VanDerWaalsContact O-CA 3.3Å; R36-Y155 WeakPolarHBondContact O-CA 3.31Å; R36-T156 PolarHBondContact O-N 3.33Å |
| 37 | V | 92.1 | Very high | 73.6 | Confident | 80 Ų | 80 | 92.3 Ų | 92.3 | 49% | 0.485 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 126.6 | 172.8 | -171.6 | 0 | 0 | 0 | 0 | 107.5 | Q35 T156 E158 A161 | Q35-V37 PolarHBondContact O-N 3.48Å; V37-T156 WeakPolarHBondContact CA-O 3.49Å; V37-T156 HydrophobicContact CB-CG2 4.41Å; V37-T156 HydrophobicContact CG2-CG2 3.89Å; V37-E158 HydrophobicContact CG1-CB 4.23Å; V37-A161 HydrophobicContact CB-CB 4.5Å; V37-A161 HydrophobicContact CG1-CB 3.88Å; V37-A161 HydrophobicContact CG2-CB 3.73Å |
| 38 | L | 92.3 | Very high | 76.4 | Confident | 36 Ų | 36 | 88.2 Ų | 88.2 | 19% | 0.188 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 151.7 | 171.8 | -67.2 | 178.1 | 0 | 0 | 0 | 108.9 | Y43 F151 Y155 T156 S157 E158 | L38-Y43 HydrophobicContact CD1-CD2 4.44Å; L38-F151 HydrophobicContact CD1-CZ 4.37Å; L38-Y155 HydrophobicContact CD1-CD1 3.46Å; L38-Y155 VanDerWaalsContact CD1-CD1 3.46Å; L38-Y155 HydrophobicContact CD1-CE1 4.09Å; L38-Y155 HydrophobicContact CD1-CG 3.85Å; L38-Y155 HydrophobicContact CD2-CD1 4.17Å; L38-Y155 HydrophobicContact CD2-CE1 4.4Å; L38-Y155 HydrophobicContact CG-CD1 3.73Å; L38-Y155 HydrophobicContact CG-CE1 4.42Å; L38-Y155 HydrophobicContact CG-CG 4.45Å; L38-T156 PolarHBondContact N-O 2.97Å; L38-S157 CarbonylContact O-C 2.88Å; L38-E158 PolarHBondContact O-N 3.47Å |
| 39 | D | 94.9 | Very high | 79.4 | Confident | 94 Ų | 94 | 87.1 Ų | 87.1 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | trans | -58.7 | 147.6 | 171.6 | -65 | -0.3 | 0 | 0 | 0 | 109.2 | E41 E42 Y43 | D39-E41 VanDerWaalsContact C-N 3.3Å; D39-E41 PolarHBondContact O-N 3.3Å; D39-E42 HydrophobicContact CB-CB 4.48Å; D39-E42 HydrophobicContact CB-CG 4.24Å; D39-E42 PolarHBondContact O-N 3.25Å; D39-Y43 WeakPolarHBondContact O-CB 3.31Å; D39-Y43 PolarHBondContact O-N 3.5Å | ||
| 40 | E | 92.5 | Very high | 82.2 | Confident | 63 Ų | 63 | 84.1 Ų | 84.1 | 29% | 0.294 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | -171.4 | -178 | 63.7 | -172.6 | 0 | 0 | 112.3 | Y43 I44 S157 | E40-Y43 PolarHBondContact O-N 3.18Å; E40-I44 HydrophobicContact CG-CD1 3.84Å; E40-I44 HydrophobicContact CG-CG1 4.49Å; E40-I44 WeakPolarHBondContact O-CB 3.16Å; E40-I44 VanDerWaalsContact O-CG1 3.23Å; E40-I44 WeakPolarHBondContact O-CG1 3.48Å; E40-I44 PolarHBondContact O-N 3.41Å; E40-I44 WeakPolarHBondContact OE1-CD1 3.11Å; E40-S157 WeakPolarHBondContact OE2-CB 3.34Å |
| 41 | E | 93.8 | Very high | 84.8 | Confident | 155 Ų | 155 | 83 Ų | 83 | 72% | 0.724 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.2 | -47.6 | 178.3 | -63 | -176.3 | 174.7 | 0 | 0 | 110.8 | D39 Y43 I44 E45 | D39-E41 VanDerWaalsContact C-N 3.3Å; D39-E41 PolarHBondContact O-N 3.3Å; E41-Y43 VanDerWaalsContact C-N 3.34Å; E41-Y43 PolarHBondContact O-N 2.72Å; E41-I44 PolarHBondContact O-N 3.02Å; E41-E45 WeakPolarHBondContact O-CB 3.23Å; E41-E45 VanDerWaalsContact O-CG 3.27Å; E41-E45 WeakPolarHBondContact O-CG 3.49Å; E41-E45 PolarHBondContact O-N 2.89Å |
| 42 | E | 93.2 | Very high | 87.3 | Confident | 103 Ų | 103 | 81.3 Ų | 81.3 | 48% | 0.481 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65 | -37.3 | 178.5 | -62.2 | -170.1 | 161.3 | 0 | 0 | 112.6 | D39 G46 | D39-E42 HydrophobicContact CB-CB 4.48Å; D39-E42 HydrophobicContact CB-CG 4.24Å; D39-E42 PolarHBondContact O-N 3.25Å; E42-G46 PolarHBondContact O-N 3.41Å |
| 43 | Y | 93.4 | Very high | 88.9 | Confident | 36 Ų | 36 | 82 Ų | 82 | 14% | 0.141 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.8 | -46 | 177.4 | -179.9 | -98.5 | 0 | 0 | 0 | 111.2 | L38 D39 E40 E41 L47 F151 L152 | L38-Y43 HydrophobicContact CD1-CD2 4.44Å; D39-Y43 WeakPolarHBondContact O-CB 3.31Å; D39-Y43 PolarHBondContact O-N 3.5Å; E40-Y43 PolarHBondContact O-N 3.18Å; E41-Y43 VanDerWaalsContact C-N 3.34Å; E41-Y43 PolarHBondContact O-N 2.72Å; Y43-L47 HydrophobicContact CE1-CD2 4.16Å; Y43-L47 WeakPolarHBondContact O-CB 3.41Å; Y43-L47 PolarHBondContact O-N 3.47Å; Y43-F151 AromaticContact CD2-CE1 3.99Å; Y43-F151 HydrophobicContact CD2-CE1 3.99Å; Y43-F151 HydrophobicContact CD2-CZ 4.22Å; Y43-F151 AromaticContact CE2-CE1 3.74Å; Y43-F151 HydrophobicContact CE2-CE1 3.74Å; Y43-F151 HydrophobicContact CE2-CZ 4.39Å; Y43-L152 WeakPolarHBondContact OH-CD2 3.34Å |
| 44 | I | 93.6 | Very high | 90.5 | Very high | 80 Ų | 80 | 82.2 Ų | 82.2 | 41% | 0.41 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 177.2 | -68.3 | 168.4 | 0 | 0 | 0 | 110.2 | E40 E41 L47 Q48 | E40-I44 HydrophobicContact CG-CD1 3.84Å; E40-I44 HydrophobicContact CG-CG1 4.49Å; E40-I44 WeakPolarHBondContact O-CB 3.16Å; E40-I44 VanDerWaalsContact O-CG1 3.23Å; E40-I44 WeakPolarHBondContact O-CG1 3.48Å; E40-I44 PolarHBondContact O-N 3.41Å; E40-I44 WeakPolarHBondContact OE1-CD1 3.11Å; E41-I44 PolarHBondContact O-N 3.02Å; I44-L47 PolarHBondContact O-N 3.23Å; I44-Q48 WeakPolarHBondContact O-CB 3.22Å; I44-Q48 PolarHBondContact O-N 3.35Å |
| 45 | E | 93.6 | Very high | 91.5 | Very high | 122 Ų | 122 | 78.4 Ų | 78.4 | 57% | 0.57 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60 | -50.3 | 177.8 | -76.5 | -178.1 | 178.8 | 0 | 0 | 111.1 | E41 L47 Q48 T49 | E41-E45 WeakPolarHBondContact O-CB 3.23Å; E41-E45 VanDerWaalsContact O-CG 3.27Å; E41-E45 WeakPolarHBondContact O-CG 3.49Å; E41-E45 PolarHBondContact O-N 2.89Å; E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 2.82Å; E45-Q48 PolarHBondContact O-N 3.46Å; E45-T49 PolarHBondContact O-N 3.36Å; E45-T49 PolarHBondContact O-OG1 3.05Å |
| 46 | G | 91.8 | Very high | 91.8 | Very high | 10 Ų | 10 | 81.2 Ų | 81.2 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E42 T49 V50 L145 | E42-G46 PolarHBondContact O-N 3.41Å; G46-T49 PolarHBondContact O-N 2.93Å; G46-V50 VanDerWaalsContact O-CG2 3.26Å; G46-V50 WeakPolarHBondContact O-CG2 3.37Å; G46-V50 PolarHBondContact O-N 3.39Å; G46-V50 VanDerWaalsContact O-N 3.09Å; G46-L145 WeakPolarHBondContact O-CD1 3.45Å |
| 47 | L | 92.1 | Very high | 91.7 | Very high | 40 Ų | 40 | 76.8 Ų | 76.8 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 176.8 | -175.1 | 63.3 | 0 | 0 | 0 | 111.7 | Y43 I44 E45 V50 I51 L148 F151 L152 | Y43-L47 HydrophobicContact CE1-CD2 4.16Å; Y43-L47 WeakPolarHBondContact O-CB 3.41Å; Y43-L47 PolarHBondContact O-N 3.47Å; I44-L47 PolarHBondContact O-N 3.23Å; E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 2.82Å; L47-V50 PolarHBondContact O-N 3.12Å; L47-I51 HydrophobicContact CD1-CD1 4.04Å; L47-I51 HydrophobicContact CD1-CG1 4.43Å; L47-I51 HydrophobicContact CG-CD1 3.83Å; L47-I51 WeakPolarHBondContact O-CB 3.35Å; L47-I51 VanDerWaalsContact O-CG1 3.27Å; L47-I51 WeakPolarHBondContact O-CG1 3.38Å; L47-I51 PolarHBondContact O-N 3.34Å; L47-L148 HydrophobicContact CD1-CD1 3.39Å; L47-F151 HydrophobicContact CB-CE1 4.07Å; L47-F151 HydrophobicContact CD1-CD1 4.16Å; L47-F151 HydrophobicContact CD1-CE1 4.29Å; L47-L152 HydrophobicContact CD1-CD2 3.94Å |
| 48 | Q | 92 | Very high | 91.5 | Very high | 103 Ų | 103 | 76.9 Ų | 76.9 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 177.8 | 177.6 | 176.9 | -50.5 | 0 | 0 | 111 | I44 E45 V50 I51 Q52 | I44-Q48 WeakPolarHBondContact O-CB 3.22Å; I44-Q48 PolarHBondContact O-N 3.35Å; E45-Q48 PolarHBondContact O-N 3.46Å; Q48-V50 VanDerWaalsContact C-N 3.33Å; Q48-V50 PolarHBondContact O-N 3.28Å; Q48-I51 PolarHBondContact O-N 3.18Å; Q48-Q52 HydrophobicContact CG-CG 4.3Å; Q48-Q52 WeakPolarHBondContact O-CB 3.38Å; Q48-Q52 VanDerWaalsContact O-CG 3.28Å; Q48-Q52 WeakPolarHBondContact O-CG 3.35Å; Q48-Q52 PolarHBondContact O-N 2.89Å |
| 49 | T | 92.2 | Very high | 91.3 | Very high | 79 Ų | 79 | 77 Ų | 77 | 49% | 0.485 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 177.8 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | E45 G46 R53 L145 | E45-T49 PolarHBondContact O-N 3.36Å; E45-T49 PolarHBondContact O-OG1 3.05Å; G46-T49 PolarHBondContact O-N 2.93Å; T49-R53 WeakPolarHBondContact O-CB 3.42Å; T49-R53 PolarHBondContact O-N 3.14Å; T49-L145 HydrophobicContact CG2-CD1 4.33Å |
| 50 | V | 91.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.012 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 177.7 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | G46 L47 Q48 R53 D54 L145 L148 F151 | G46-V50 VanDerWaalsContact O-CG2 3.26Å; G46-V50 WeakPolarHBondContact O-CG2 3.37Å; G46-V50 PolarHBondContact O-N 3.39Å; G46-V50 VanDerWaalsContact O-N 3.09Å; L47-V50 PolarHBondContact O-N 3.12Å; Q48-V50 VanDerWaalsContact C-N 3.33Å; Q48-V50 PolarHBondContact O-N 3.28Å; V50-R53 PolarHBondContact O-N 3.34Å; V50-D54 WeakPolarHBondContact O-CB 3.37Å; V50-D54 PolarHBondContact O-N 3.29Å; V50-L145 HydrophobicContact CG2-CB 3.46Å; V50-L145 VanDerWaalsContact CG2-CB 3.46Å; V50-L145 HydrophobicContact CG2-CD1 3.89Å; V50-L145 HydrophobicContact CG2-CG 4.29Å; V50-L148 HydrophobicContact CG1-CB 3.91Å; V50-L148 HydrophobicContact CG1-CD1 4.24Å; V50-F151 HydrophobicContact CG2-CD2 4.49Å |
| 51 | I | 91.3 | Very high | 90.6 | Very high | 54 Ų | 54 | 79.7 Ų | 79.7 | 28% | 0.277 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 179.1 | -70.2 | 170.8 | 0 | 0 | 0 | 111.4 | L47 Q48 D54 F55 F56 L148 | L47-I51 HydrophobicContact CD1-CD1 4.04Å; L47-I51 HydrophobicContact CD1-CG1 4.43Å; L47-I51 HydrophobicContact CG-CD1 3.83Å; L47-I51 WeakPolarHBondContact O-CB 3.35Å; L47-I51 VanDerWaalsContact O-CG1 3.27Å; L47-I51 WeakPolarHBondContact O-CG1 3.38Å; L47-I51 PolarHBondContact O-N 3.34Å; Q48-I51 PolarHBondContact O-N 3.18Å; I51-D54 PolarHBondContact O-N 2.89Å; I51-F55 HydrophobicContact CG2-CD2 4.49Å; I51-F55 WeakPolarHBondContact O-CB 3.41Å; I51-F55 PolarHBondContact O-N 3.29Å; I51-F56 HydrophobicContact CG2-CD2 3.84Å; I51-F56 HydrophobicContact CG2-CE2 3.94Å; I51-F56 PolarHBondContact O-N 2.94Å; I51-L148 HydrophobicContact CG1-CD1 4.05Å; I51-L148 HydrophobicContact CG1-CD2 4.37Å |
| 52 | Q | 91.4 | Very high | 90.3 | Very high | 45 Ų | 45 | 77.3 Ų | 77.3 | 21% | 0.21 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 177.8 | -75.1 | 177 | -0.2 | 0 | 0 | 110.9 | Q48 F56 | Q48-Q52 HydrophobicContact CG-CG 4.3Å; Q48-Q52 WeakPolarHBondContact O-CB 3.38Å; Q48-Q52 VanDerWaalsContact O-CG 3.28Å; Q48-Q52 WeakPolarHBondContact O-CG 3.35Å; Q48-Q52 PolarHBondContact O-N 2.89Å; Q52-F56 CarbonylContact O-C 3.34Å; Q52-F56 WeakPolarHBondContact O-CA 3.4Å; Q52-F56 PolarHBondContact O-N 3.27Å; Q52-F56 VanDerWaalsContact O-N 3.09Å; Q52-F56 VanDerWaalsContact O-O 3.07Å |
| 53 | R | 87.9 | Confident | 90.1 | Very high | 115 Ų | 115 | 76.9 Ų | 76.9 | 43% | 0.434 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 177.4 | -171.8 | -165 | 69.9 | -163.3 | -11.3 | 112.7 | T49 V50 L145 P146 | T49-R53 WeakPolarHBondContact O-CB 3.42Å; T49-R53 PolarHBondContact O-N 3.14Å; V50-R53 PolarHBondContact O-N 3.34Å; R53-L145 PolarHBondContact NH1-O 3.24Å; R53-L145 PolarHBondContact NH2-O 3.17Å; R53-P146 PolarHBondContact NH2-O 3.26Å |
| 54 | D | 88.9 | Confident | 89.9 | Confident | 67 Ų | 67 | 75.2 Ų | 75.2 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -85.5 | -34.2 | -168.6 | -69.5 | -5.3 | 0 | 0 | 0 | 113 | V50 I51 | V50-D54 WeakPolarHBondContact O-CB 3.37Å; V50-D54 PolarHBondContact O-N 3.29Å; I51-D54 PolarHBondContact O-N 2.89Å |
| 55 | F | 89.6 | Confident | 89.6 | Confident | 125 Ų | 125 | 75 Ų | 75 | 55% | 0.548 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -115.7 | -24.4 | -172.8 | -64.5 | -88 | 0 | 0 | 0 | 114.1 | I51 L148 | I51-F55 HydrophobicContact CG2-CD2 4.49Å; I51-F55 WeakPolarHBondContact O-CB 3.41Å; I51-F55 PolarHBondContact O-N 3.29Å; F55-L148 HydrophobicContact CE2-CB 4.42Å; F55-L148 HydrophobicContact CE2-CD2 3.68Å; F55-L148 HydrophobicContact CZ-CD2 4.22Å |
| 56 | F | 90.6 | Very high | 89.5 | Confident | 117 Ų | 117 | 75.1 Ų | 75.1 | 51% | 0.513 | 37% | 0.368 | S | S | . | . | trans | -136.2 | 57.6 | -172.9 | -58.8 | -79.3 | 0 | 0 | 0 | 113.7 | I51 Q52 D58 V59 | I51-F56 HydrophobicContact CG2-CD2 3.84Å; I51-F56 HydrophobicContact CG2-CE2 3.94Å; I51-F56 PolarHBondContact O-N 2.94Å; Q52-F56 CarbonylContact O-C 3.34Å; Q52-F56 WeakPolarHBondContact O-CA 3.4Å; Q52-F56 PolarHBondContact O-N 3.27Å; Q52-F56 VanDerWaalsContact O-N 3.09Å; Q52-F56 VanDerWaalsContact O-O 3.07Å; F56-D58 PolarHBondContact O-N 3.09Å; F56-V59 HydrophobicContact CB-CB 4.26Å; F56-V59 HydrophobicContact CB-CG2 3.51Å; F56-V59 HydrophobicContact CD1-CG2 4.45Å; F56-V59 HydrophobicContact CG-CG2 4.22Å; F56-V59 WeakPolarHBondContact O-CB 3.34Å; F56-V59 PolarHBondContact O-N 2.97Å | ||
| 57 | P | 86.9 | Confident | 89.5 | Confident | 87 Ų | 87 | 79.1 Ų | 79.1 | 57% | 0.565 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -18.3 | -174.8 | 27.1 | -36.6 | 0 | 0 | 0 | 113.9 | ||
| 58 | D | 87.3 | Confident | 89.4 | Confident | 82 Ų | 82 | 80.7 Ų | 80.7 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -2.3 | 179.7 | -66 | -41 | 0 | 0 | 0 | 113.8 | F56 E60 K61 L62 | F56-D58 PolarHBondContact O-N 3.09Å; D58-E60 VanDerWaalsContact C-N 3.29Å; D58-E60 PolarHBondContact O-N 2.87Å; D58-K61 WeakPolarHBondContact O-CB 3.31Å; D58-K61 PolarHBondContact O-N 2.95Å; D58-K61 VanDerWaalsContact O-N 3.08Å; D58-K61 IonicContact OD1-NZ 3.39Å; D58-K61 PolarHBondContact OD1-NZ 2.92Å; D58-L62 WeakPolarHBondContact O-CG 3.2Å; D58-L62 PolarHBondContact O-N 3.23Å |
| 59 | V | 89.2 | Confident | 89.4 | Confident | 37 Ų | 37 | 79.6 Ų | 79.6 | 22% | 0.224 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.7 | -39.8 | -179.1 | 159.5 | 0 | 0 | 0 | 0 | 111.9 | F56 K61 L62 Q63 | F56-V59 HydrophobicContact CB-CB 4.26Å; F56-V59 HydrophobicContact CB-CG2 3.51Å; F56-V59 HydrophobicContact CD1-CG2 4.45Å; F56-V59 HydrophobicContact CG-CG2 4.22Å; F56-V59 WeakPolarHBondContact O-CB 3.34Å; F56-V59 PolarHBondContact O-N 2.97Å; V59-K61 VanDerWaalsContact C-N 3.3Å; V59-K61 PolarHBondContact O-N 3.32Å; V59-L62 PolarHBondContact O-N 3.43Å; V59-Q63 HydrophobicContact CG1-CG 4.2Å; V59-Q63 WeakPolarHBondContact O-CB 3.27Å; V59-Q63 VanDerWaalsContact O-CG 3.3Å; V59-Q63 WeakPolarHBondContact O-CG 3.44Å; V59-Q63 PolarHBondContact O-N 3.35Å |
| 60 | E | 85.4 | Confident | 89.5 | Confident | 117 Ų | 117 | 79.7 Ų | 79.7 | 55% | 0.547 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 176.4 | -64.4 | -176.8 | 174.2 | 0 | 0 | 111.9 | D58 A64 F87 | D58-E60 VanDerWaalsContact C-N 3.29Å; D58-E60 PolarHBondContact O-N 2.87Å; E60-A64 VanDerWaalsContact O-CB 3.32Å; E60-A64 WeakPolarHBondContact O-CB 3.27Å; E60-A64 PolarHBondContact O-N 3.48Å; E60-F87 HydrophobicContact CB-CE1 4.37Å |
| 61 | K | 86.7 | Confident | 89.4 | Confident | 98 Ų | 98 | 80 Ų | 80 | 43% | 0.426 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.9 | -41 | 177.5 | -59.7 | 175.6 | -169.1 | 155.5 | 0 | 111.3 | D58 V59 A64 Q65 | D58-K61 WeakPolarHBondContact O-CB 3.31Å; D58-K61 PolarHBondContact O-N 2.95Å; D58-K61 VanDerWaalsContact O-N 3.08Å; D58-K61 IonicContact OD1-NZ 3.39Å; D58-K61 PolarHBondContact OD1-NZ 2.92Å; V59-K61 VanDerWaalsContact C-N 3.3Å; V59-K61 PolarHBondContact O-N 3.32Å; K61-A64 PolarHBondContact O-N 2.93Å; K61-Q65 WeakPolarHBondContact O-CB 3.3Å; K61-Q65 PolarHBondContact O-N 2.87Å |
| 62 | L | 88.8 | Confident | 89.4 | Confident | 105 Ų | 105 | 82.7 Ų | 82.7 | 55% | 0.55 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.6 | -39.1 | 178.6 | -69.5 | 174.7 | 0 | 0 | 0 | 111.7 | D58 V59 Q65 K66 | D58-L62 WeakPolarHBondContact O-CG 3.2Å; D58-L62 PolarHBondContact O-N 3.23Å; V59-L62 PolarHBondContact O-N 3.43Å; L62-Q65 PolarHBondContact O-N 3.44Å; L62-K66 WeakPolarHBondContact O-CB 3.32Å; L62-K66 PolarHBondContact O-N 2.91Å |
| 63 | Q | 88.8 | Confident | 89.4 | Confident | 94 Ų | 94 | 88.5 Ų | 88.5 | 44% | 0.439 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | 172.7 | -74.9 | 175.2 | -10 | 0 | 0 | 110.7 | V59 Q65 K66 E67 | V59-Q63 HydrophobicContact CG1-CG 4.2Å; V59-Q63 WeakPolarHBondContact O-CB 3.27Å; V59-Q63 VanDerWaalsContact O-CG 3.3Å; V59-Q63 WeakPolarHBondContact O-CG 3.44Å; V59-Q63 PolarHBondContact O-N 3.35Å; Q63-Q65 VanDerWaalsContact C-N 3.31Å; Q63-Q65 PolarHBondContact O-N 3.31Å; Q63-K66 WeakPolarHBondContact O-CB 3.23Å; Q63-K66 PolarHBondContact O-N 3.41Å; Q63-K66 VanDerWaalsContact O-N 3.14Å; Q63-E67 WeakPolarHBondContact O-CG 3.14Å; Q63-E67 PolarHBondContact O-N 2.85Å |
| 64 | A | 88.1 | Confident | 89.5 | Confident | 1 Ų | 1 | 88.6 Ų | 88.6 | 1% | 0.008 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.5 | -40.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E60 K61 Y68 I83 F87 | E60-A64 VanDerWaalsContact O-CB 3.32Å; E60-A64 WeakPolarHBondContact O-CB 3.27Å; E60-A64 PolarHBondContact O-N 3.48Å; K61-A64 PolarHBondContact O-N 2.93Å; A64-Y68 WeakPolarHBondContact O-CB 3.37Å; A64-Y68 PolarHBondContact O-N 3.42Å; A64-I83 HydrophobicContact CB-CG2 4.29Å; A64-I83 WeakPolarHBondContact O-CG2 3.49Å; A64-F87 HydrophobicContact CB-CB 3.86Å; A64-F87 HydrophobicContact CB-CD1 3.69Å; A64-F87 HydrophobicContact CB-CD2 3.28Å; A64-F87 HydrophobicContact CB-CE1 3.99Å; A64-F87 HydrophobicContact CB-CE2 3.6Å; A64-F87 HydrophobicContact CB-CG 3.32Å; A64-F87 HydrophobicContact CB-CZ 3.95Å |
| 65 | Q | 87.7 | Confident | 89.6 | Confident | 76 Ų | 76 | 87.8 Ų | 87.8 | 36% | 0.355 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 175.2 | -173.8 | 176.8 | 3.3 | 0 | 0 | 111.7 | K61 L62 Q63 Y68 L69 L91 | K61-Q65 WeakPolarHBondContact O-CB 3.3Å; K61-Q65 PolarHBondContact O-N 2.87Å; L62-Q65 PolarHBondContact O-N 3.44Å; Q63-Q65 VanDerWaalsContact C-N 3.31Å; Q63-Q65 PolarHBondContact O-N 3.31Å; Q65-Y68 PolarHBondContact O-N 3.22Å; Q65-L69 WeakPolarHBondContact O-CG 3.48Å; Q65-L69 PolarHBondContact O-N 2.85Å; Q65-L69 VanDerWaalsContact O-N 3.11Å; Q65-L91 HydrophobicContact CB-CD1 4.42Å |
| 66 | K | 92.1 | Very high | 89.7 | Confident | 123 Ų | 123 | 85.5 Ų | 85.5 | 54% | 0.535 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.2 | -49.4 | 175.8 | -175.2 | -163.1 | 167.2 | -152.2 | 0 | 110.9 | L62 Q63 Y68 L69 E70 | L62-K66 WeakPolarHBondContact O-CB 3.32Å; L62-K66 PolarHBondContact O-N 2.91Å; Q63-K66 WeakPolarHBondContact O-CB 3.23Å; Q63-K66 PolarHBondContact O-N 3.41Å; Q63-K66 VanDerWaalsContact O-N 3.14Å; K66-Y68 VanDerWaalsContact C-N 3.27Å; K66-Y68 PolarHBondContact O-N 3.03Å; K66-L69 PolarHBondContact O-N 2.98Å; K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 IonicContact NZ-OE1 2.73Å; K66-E70 PolarHBondContact NZ-OE1 2.82Å; K66-E70 VanDerWaalsContact NZ-OE1 3.1Å; K66-E70 PolarHBondContact O-N 2.88Å |
| 67 | E | 91.4 | Very high | 89.4 | Confident | 95 Ų | 95 | 86.4 Ų | 86.4 | 44% | 0.444 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.6 | -35.3 | 178.5 | -72.1 | 178.7 | -176.8 | 0 | 0 | 112.1 | Q63 A71 I83 | Q63-E67 WeakPolarHBondContact O-CG 3.14Å; Q63-E67 PolarHBondContact O-N 2.85Å; E67-A71 VanDerWaalsContact O-CB 3.27Å; E67-A71 WeakPolarHBondContact O-CB 3.41Å; E67-A71 PolarHBondContact O-N 2.91Å; E67-I83 HydrophobicContact CB-CD1 3.65Å; E67-I83 HydrophobicContact CB-CG1 4.49Å |
| 68 | Y | 89.8 | Confident | 89.5 | Confident | 72 Ų | 72 | 89.7 Ų | 89.7 | 28% | 0.282 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 175.3 | -177.5 | -92.5 | 0 | 0 | 0 | 111.5 | A64 Q65 K66 A71 E72 M80 I83 | A64-Y68 WeakPolarHBondContact O-CB 3.37Å; A64-Y68 PolarHBondContact O-N 3.42Å; Q65-Y68 PolarHBondContact O-N 3.22Å; K66-Y68 VanDerWaalsContact C-N 3.27Å; K66-Y68 PolarHBondContact O-N 3.03Å; Y68-A71 PolarHBondContact O-N 3.01Å; Y68-E72 PolarHBondContact O-N 3.1Å; Y68-M80 HydrophobicContact CD2-CB 4.36Å; Y68-M80 HydrophobicContact CD2-CE 4.41Å; Y68-M80 HydrophobicContact CE1-CE 3.87Å; Y68-M80 HydrophobicContact CE2-CB 4.09Å; Y68-M80 HydrophobicContact CE2-CE 3.63Å; Y68-M80 HydrophobicContact CE2-CG 4.38Å; Y68-M80 VanDerWaalsContact OH-CE 3.27Å; Y68-M80 WeakPolarHBondContact OH-CE 3.28Å; Y68-I83 HydrophobicContact CD2-CG2 4.42Å |
| 69 | L | 91.9 | Very high | 89.4 | Confident | 80 Ų | 80 | 93.2 Ų | 93.2 | 42% | 0.419 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 177.3 | -67.4 | 173.1 | 0 | 0 | 0 | 111.9 | Q65 K66 A71 E72 E73 | Q65-L69 WeakPolarHBondContact O-CG 3.48Å; Q65-L69 PolarHBondContact O-N 2.85Å; Q65-L69 VanDerWaalsContact O-N 3.11Å; K66-L69 PolarHBondContact O-N 2.98Å; L69-A71 VanDerWaalsContact C-N 3.29Å; L69-A71 PolarHBondContact O-N 3.06Å; L69-E72 WeakPolarHBondContact O-CB 3.49Å; L69-E72 PolarHBondContact O-N 3.31Å; L69-E72 VanDerWaalsContact O-N 3.17Å; L69-E73 WeakPolarHBondContact O-CG 3.44Å; L69-E73 PolarHBondContact O-N 3.43Å |
| 70 | E | 93.4 | Very high | 89.1 | Confident | 82 Ų | 82 | 92.8 Ų | 92.8 | 38% | 0.383 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 174.5 | -75.4 | -178.1 | 170.2 | 0 | 0 | 111.4 | K66 E73 N74 | K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 IonicContact NZ-OE1 2.73Å; K66-E70 PolarHBondContact NZ-OE1 2.82Å; K66-E70 VanDerWaalsContact NZ-OE1 3.1Å; K66-E70 PolarHBondContact O-N 2.88Å; E70-E73 PolarHBondContact O-N 3.5Å; E70-N74 WeakPolarHBondContact O-CB 3.4Å; E70-N74 VanDerWaalsContact O-CG 3.26Å; E70-N74 PolarHBondContact O-N 3.4Å; E70-N74 PolarHBondContact O-ND2 3.43Å |
| 71 | A | 91.4 | Very high | 89.1 | Confident | 7 Ų | 7 | 96.2 Ų | 96.2 | 6% | 0.058 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68.6 | -34.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E67 Y68 L69 G75 D76 R79 M80 | E67-A71 VanDerWaalsContact O-CB 3.27Å; E67-A71 WeakPolarHBondContact O-CB 3.41Å; E67-A71 PolarHBondContact O-N 2.91Å; Y68-A71 PolarHBondContact O-N 3.01Å; L69-A71 VanDerWaalsContact C-N 3.29Å; L69-A71 PolarHBondContact O-N 3.06Å; A71-G75 PolarHBondContact O-N 3.19Å; A71-D76 PolarHBondContact O-N 3.07Å; A71-R79 HydrophobicContact CB-CB 3.85Å; A71-M80 HydrophobicContact CB-CG 3.62Å |
| 72 | E | 90 | Very high | 89.1 | Confident | 112 Ų | 112 | 96.4 Ų | 96.4 | 52% | 0.523 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 172.8 | -174.5 | 177.1 | -160.9 | 0 | 0 | 111.4 | Y68 L69 N74 G75 M80 | Y68-E72 PolarHBondContact O-N 3.1Å; L69-E72 WeakPolarHBondContact O-CB 3.49Å; L69-E72 PolarHBondContact O-N 3.31Å; L69-E72 VanDerWaalsContact O-N 3.17Å; E72-N74 PolarHBondContact O-N 3.01Å; E72-G75 PolarHBondContact O-N 3.48Å; E72-M80 HydrophobicContact CB-CE 4.09Å; E72-M80 HydrophobicContact CB-SD 4.21Å; E72-M80 HydrophobicContact CG-CE 4.37Å |
| 73 | E | 90.7 | Very high | 88.9 | Confident | 166 Ų | 166 | 92 Ų | 92 | 78% | 0.776 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.5 | -37.6 | 177 | -72.8 | -179 | 176.3 | 0 | 0 | 112.6 | L69 E70 | L69-E73 WeakPolarHBondContact O-CG 3.44Å; L69-E73 PolarHBondContact O-N 3.43Å; E70-E73 PolarHBondContact O-N 3.5Å |
| 74 | N | 91.4 | Very high | 88.6 | Confident | 117 Ų | 117 | 89.7 Ų | 89.7 | 63% | 0.626 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -82 | -12.7 | 177.8 | -67.8 | -41 | 0 | 0 | 0 | 113.4 | E70 E72 | E70-N74 WeakPolarHBondContact O-CB 3.4Å; E70-N74 VanDerWaalsContact O-CG 3.26Å; E70-N74 PolarHBondContact O-N 3.4Å; E70-N74 PolarHBondContact O-ND2 3.43Å; E72-N74 PolarHBondContact O-N 3.01Å |
| 75 | G | 90.1 | Very high | 88.5 | Confident | 50 Ų | 50 | 95.7 Ų | 95.7 | 52% | 0.515 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 17.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A71 E72 L77 | A71-G75 PolarHBondContact O-N 3.19Å; E72-G75 PolarHBondContact O-N 3.48Å; G75-L77 PolarHBondContact O-N 3Å; G75-L77 VanDerWaalsContact O-N 3.16Å |
| 76 | D | 91.4 | Very high | 88.3 | Confident | 78 Ų | 78 | 99.6 Ų | 99.6 | 42% | 0.417 | 48% | 0.482 | S | S | . | . | trans | -85.3 | 83.3 | -176.2 | -74.6 | -27.1 | 0 | 0 | 0 | 111.8 | A71 E78 R79 M80 | A71-D76 PolarHBondContact O-N 3.07Å; D76-E78 PolarHBondContact O-N 3.3Å; D76-R79 HydrophobicContact CB-CB 4.06Å; D76-R79 HydrophobicContact CB-CG 4.13Å; D76-R79 PolarHBondContact O-N 3.35Å; D76-M80 PolarHBondContact O-N 3.48Å; D76-M80 VanDerWaalsContact O-N 3.14Å | ||
| 77 | L | 85.8 | Confident | 87.6 | Confident | 135 Ų | 135 | 96.4 Ų | 96.4 | 71% | 0.707 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60 | -29.4 | -177.5 | -60.7 | 177.8 | 0 | 0 | 0 | 114 | G75 M80 R81 | G75-L77 PolarHBondContact O-N 3Å; G75-L77 VanDerWaalsContact O-N 3.16Å; L77-M80 HydrophobicContact CD2-SD 4.23Å; L77-R81 WeakPolarHBondContact O-CB 3.41Å; L77-R81 PolarHBondContact O-N 3.3Å |
| 78 | E | 88.4 | Confident | 86.3 | Confident | 157 Ų | 157 | 93.2 Ų | 93.2 | 73% | 0.734 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.2 | -44 | 178.3 | -64.8 | -177 | 173.9 | 0 | 0 | 111.7 | D76 R81 Q82 | D76-E78 PolarHBondContact O-N 3.3Å; E78-R81 PolarHBondContact O-N 3.29Å; E78-Q82 VanDerWaalsContact O-CG 3.31Å; E78-Q82 WeakPolarHBondContact O-CG 3.45Å; E78-Q82 PolarHBondContact O-N 3.23Å |
| 79 | R | 85.5 | Confident | 84.9 | Confident | 155 Ų | 155 | 94.8 Ų | 94.8 | 59% | 0.585 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.7 | -45.7 | 174.9 | -74.3 | -79.5 | 179.8 | 91.6 | -2.3 | 110.3 | A71 D76 R81 Q82 I83 | A71-R79 HydrophobicContact CB-CB 3.85Å; D76-R79 HydrophobicContact CB-CB 4.06Å; D76-R79 HydrophobicContact CB-CG 4.13Å; D76-R79 PolarHBondContact O-N 3.35Å; R79-R81 VanDerWaalsContact C-N 3.31Å; R79-R81 PolarHBondContact O-N 2.91Å; R79-Q82 PolarHBondContact O-N 3.45Å; R79-I83 WeakPolarHBondContact O-CD1 3.3Å; R79-I83 WeakPolarHBondContact O-CG1 3.49Å; R79-I83 PolarHBondContact O-N 3.33Å |
| 80 | M | 82.4 | Confident | 83.3 | Confident | 29 Ų | 29 | 93.5 Ų | 93.5 | 14% | 0.143 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -56.7 | -43.6 | 175.3 | -68 | -178.5 | 75.2 | 0 | 0 | 112.3 | Y68 A71 E72 D76 L77 I83 A84 | Y68-M80 HydrophobicContact CD2-CB 4.36Å; Y68-M80 HydrophobicContact CD2-CE 4.41Å; Y68-M80 HydrophobicContact CE1-CE 3.87Å; Y68-M80 HydrophobicContact CE2-CB 4.09Å; Y68-M80 HydrophobicContact CE2-CE 3.63Å; Y68-M80 HydrophobicContact CE2-CG 4.38Å; Y68-M80 VanDerWaalsContact OH-CE 3.27Å; Y68-M80 WeakPolarHBondContact OH-CE 3.28Å; A71-M80 HydrophobicContact CB-CG 3.62Å; E72-M80 HydrophobicContact CB-CE 4.09Å; E72-M80 HydrophobicContact CB-SD 4.21Å; E72-M80 HydrophobicContact CG-CE 4.37Å; D76-M80 PolarHBondContact O-N 3.48Å; D76-M80 VanDerWaalsContact O-N 3.14Å; L77-M80 HydrophobicContact CD2-SD 4.23Å; M80-I83 PolarHBondContact O-N 3.13Å; M80-A84 VanDerWaalsContact O-CB 3.25Å; M80-A84 WeakPolarHBondContact O-CB 3.02Å; M80-A84 PolarHBondContact O-N 3.09Å |
| 81 | R | 85 | Confident | 81.4 | Confident | 189 Ų | 189 | 91.9 Ų | 91.9 | 71% | 0.713 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.1 | -42 | 179.3 | -170.6 | 178 | -178.9 | -179.6 | 0.1 | 111.9 | L77 E78 R79 A84 I85 | L77-R81 WeakPolarHBondContact O-CB 3.41Å; L77-R81 PolarHBondContact O-N 3.3Å; E78-R81 PolarHBondContact O-N 3.29Å; R79-R81 VanDerWaalsContact C-N 3.31Å; R79-R81 PolarHBondContact O-N 2.91Å; R81-A84 PolarHBondContact O-N 2.87Å; R81-I85 HydrophobicContact CG-CD1 4.02Å; R81-I85 WeakPolarHBondContact O-CD1 3.45Å; R81-I85 VanDerWaalsContact O-CG1 3.23Å; R81-I85 WeakPolarHBondContact O-CG1 3.25Å; R81-I85 PolarHBondContact O-N 3.35Å |
| 82 | Q | 87.9 | Confident | 79.4 | Confident | 101 Ų | 101 | 94.7 Ų | 94.7 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 176.4 | -71.9 | 173.2 | 11.3 | 0 | 0 | 111.5 | E78 R79 I85 K86 | E78-Q82 VanDerWaalsContact O-CG 3.31Å; E78-Q82 WeakPolarHBondContact O-CG 3.45Å; E78-Q82 PolarHBondContact O-N 3.23Å; R79-Q82 PolarHBondContact O-N 3.45Å; Q82-I85 PolarHBondContact O-N 2.91Å; Q82-K86 WeakPolarHBondContact O-CG 3.23Å; Q82-K86 PolarHBondContact O-N 3.08Å |
| 83 | I | 84.6 | Confident | 77.5 | Confident | 13 Ų | 13 | 97.8 Ų | 97.8 | 7% | 0.067 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 177.9 | -63.5 | 160.6 | 0 | 0 | 0 | 110.6 | A64 E67 Y68 R79 M80 I85 K86 F87 | A64-I83 HydrophobicContact CB-CG2 4.29Å; A64-I83 WeakPolarHBondContact O-CG2 3.49Å; E67-I83 HydrophobicContact CB-CD1 3.65Å; E67-I83 HydrophobicContact CB-CG1 4.49Å; Y68-I83 HydrophobicContact CD2-CG2 4.42Å; R79-I83 WeakPolarHBondContact O-CD1 3.3Å; R79-I83 WeakPolarHBondContact O-CG1 3.49Å; R79-I83 PolarHBondContact O-N 3.33Å; M80-I83 PolarHBondContact O-N 3.13Å; I83-I85 VanDerWaalsContact C-N 3.3Å; I83-I85 PolarHBondContact O-N 3.09Å; I83-K86 PolarHBondContact O-N 3.36Å; I83-F87 HydrophobicContact CG2-CD2 4.25Å; I83-F87 PolarHBondContact O-N 3.15Å |
| 84 | A | 82.3 | Confident | 75.1 | Confident | 45 Ų | 45 | 96 Ų | 96 | 37% | 0.372 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -31.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M80 R81 G88 | M80-A84 VanDerWaalsContact O-CB 3.25Å; M80-A84 WeakPolarHBondContact O-CB 3.02Å; M80-A84 PolarHBondContact O-N 3.09Å; R81-A84 PolarHBondContact O-N 2.87Å; A84-G88 WeakPolarHBondContact O-CA 3.33Å; A84-G88 PolarHBondContact O-N 3.19Å |
| 85 | I | 85.6 | Confident | 72.6 | Confident | 127 Ų | 127 | 94.2 Ų | 94.2 | 65% | 0.651 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.2 | -43.7 | 173.9 | -69.2 | 163.4 | 0 | 0 | 0 | 110.6 | R81 Q82 I83 | R81-I85 HydrophobicContact CG-CD1 4.02Å; R81-I85 WeakPolarHBondContact O-CD1 3.45Å; R81-I85 VanDerWaalsContact O-CG1 3.23Å; R81-I85 WeakPolarHBondContact O-CG1 3.25Å; R81-I85 PolarHBondContact O-N 3.35Å; Q82-I85 PolarHBondContact O-N 2.91Å; I83-I85 VanDerWaalsContact C-N 3.3Å; I83-I85 PolarHBondContact O-N 3.09Å |
| 86 | K | 83 | Confident | 70.5 | Confident | 159 Ų | 159 | 104.3 Ų | 104.3 | 69% | 0.691 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.9 | -40.1 | -179.2 | -71.2 | 178.6 | 179.3 | -174.7 | 0 | 112.8 | Q82 I83 | Q82-K86 WeakPolarHBondContact O-CG 3.23Å; Q82-K86 PolarHBondContact O-N 3.08Å; I83-K86 PolarHBondContact O-N 3.36Å |
| 87 | F | 76.8 | Confident | 68 | Low | 55 Ų | 55 | 107.4 Ų | 107.4 | 24% | 0.241 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -124 | -3.4 | -169.8 | -61.2 | -82.7 | 0 | 0 | 0 | 114.7 | E60 A64 I83 S89 A90 L91 | E60-F87 HydrophobicContact CB-CE1 4.37Å; A64-F87 HydrophobicContact CB-CB 3.86Å; A64-F87 HydrophobicContact CB-CD1 3.69Å; A64-F87 HydrophobicContact CB-CD2 3.28Å; A64-F87 HydrophobicContact CB-CE1 3.99Å; A64-F87 HydrophobicContact CB-CE2 3.6Å; A64-F87 HydrophobicContact CB-CG 3.32Å; A64-F87 HydrophobicContact CB-CZ 3.95Å; I83-F87 HydrophobicContact CG2-CD2 4.25Å; I83-F87 PolarHBondContact O-N 3.15Å; F87-S89 VanDerWaalsContact C-N 3.27Å; F87-S89 PolarHBondContact O-N 2.78Å; F87-A90 WeakPolarHBondContact O-CB 3.45Å; F87-A90 PolarHBondContact O-N 2.88Å; F87-L91 PolarHBondContact O-N 3.31Å |
| 88 | G | 64.4 | Low | 66 | Low | 28 Ų | 28 | 106.1 Ų | 106.1 | 29% | 0.289 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.1 | -22.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A84 A90 G92 | A84-G88 WeakPolarHBondContact O-CA 3.33Å; A84-G88 PolarHBondContact O-N 3.19Å; G88-A90 VanDerWaalsContact C-N 3.31Å; G88-G92 PolarHBondContact O-N 3.28Å; G88-G92 VanDerWaalsContact O-N 3.1Å |
| 89 | S | 60.9 | Low | 64.1 | Low | 106 Ų | 106 | 104 Ų | 104 | 74% | 0.741 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.2 | -29.9 | 171.6 | -171.3 | 0 | 0 | 0 | 0 | 112.6 | F87 | F87-S89 VanDerWaalsContact C-N 3.27Å; F87-S89 PolarHBondContact O-N 2.78Å |
| 90 | A | 58.1 | Low | 62.6 | Low | 53 Ų | 53 | 102.2 Ų | 102.2 | 44% | 0.438 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -87.3 | -33.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F87 G88 | F87-A90 WeakPolarHBondContact O-CB 3.45Å; F87-A90 PolarHBondContact O-N 2.88Å; G88-A90 VanDerWaalsContact C-N 3.31Å |
| 91 | L | 54.5 | Low | 60.9 | Low | 47 Ų | 47 | 106.1 Ų | 106.1 | 25% | 0.246 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -71.9 | -31.5 | 179.4 | -130.6 | 78 | 0 | 0 | 0 | 113 | Q65 F87 K93 M94 | Q65-L91 HydrophobicContact CB-CD1 4.42Å; F87-L91 PolarHBondContact O-N 3.31Å; L91-K93 VanDerWaalsContact C-N 3.27Å; L91-K93 PolarHBondContact O-N 3.1Å; L91-M94 WeakPolarHBondContact O-CG 3.41Å |
| 92 | G | 49.3 | Very low | 58.9 | Low | 67 Ų | 67 | 107.3 Ų | 107.3 | 69% | 0.691 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -2.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | G88 | G88-G92 PolarHBondContact O-N 3.28Å; G88-G92 VanDerWaalsContact O-N 3.1Å |
| 93 | K | 49.2 | Very low | 56.9 | Low | 176 Ų | 176 | 108.5 Ų | 108.5 | 77% | 0.765 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 25.3 | 179.6 | -62.7 | -174.7 | -174.6 | 179.3 | 0 | 113.4 | L91 S95 | L91-K93 VanDerWaalsContact C-N 3.27Å; L91-K93 PolarHBondContact O-N 3.1Å; K93-S95 PolarHBondContact O-N 2.95Å |
| 94 | M | 41.1 | Very low | 54.9 | Low | 129 Ų | 129 | 112.1 Ų | 112.1 | 64% | 0.635 | 62% | 0.621 | S | S | * | * | trans | -70.4 | 88.5 | 158.8 | 50.3 | -179.7 | 63.6 | 0 | 0 | 108.2 | L91 R96 | L91-M94 WeakPolarHBondContact O-CG 3.41Å; M94-R96 PolarHBondContact O-N 3.18Å | ||
| 95 | S | 38.1 | Very low | 53.3 | Low | 80 Ų | 80 | 115.1 Ų | 115.1 | 56% | 0.559 | 64% | 0.637 | S | S | * | * | trans | -47.3 | 128.1 | 152.2 | -172.4 | 0 | 0 | 0 | 0 | 106.6 | K93 E97 | K93-S95 PolarHBondContact O-N 2.95Å; S95-E97 PolarHBondContact O-N 3.3Å; S95-E97 WeakPolarHBondContact OG-CB 3.39Å; S95-E97 PolarHBondContact OG-OE2 3.04Å | ||
| 96 | R | 45.8 | Very low | 51.6 | Low | 261 Ų | 261 | 114 Ų | 114 | 99% | 0.985 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -72 | 55.2 | 173.4 | -163.4 | 176.5 | -177.1 | 163.7 | 0.2 | 108.7 | M94 | M94-R96 PolarHBondContact O-N 3.18Š|
| 97 | E | 38.9 | Very low | 50 | Low | 144 Ų | 144 | 111.1 Ų | 111.1 | 67% | 0.673 | 64% | 0.642 | S | S | * | * | trans | -120.2 | 128 | -176 | -162.9 | 159.5 | -165.5 | 0 | 0 | 107.5 | S95 | S95-E97 PolarHBondContact O-N 3.3Å; S95-E97 WeakPolarHBondContact OG-CB 3.39Å; S95-E97 PolarHBondContact OG-OE2 3.04Å | ||
| 98 | P | 43.8 | Very low | 48.6 | Very low | 108 Ų | 108 | 119.2 Ų | 119.2 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 146.9 | 180 | 4.2 | 0 | 0 | 0 | 0 | 109.6 | ||
| 99 | P | 49.4 | Very low | 47.8 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 136.5 | 175.6 | 23.4 | -32.3 | 0 | 0 | 0 | 109 | ||
| 100 | P | 54.7 | Low | 47.1 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 75% | 0.753 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 134.5 | 172 | 23.3 | -31 | 0 | 0 | 0 | 107.9 | Y102 | P100-Y102 PolarHBondContact O-N 3.47Š|
| 101 | P | 45.3 | Very low | 46.5 | Very low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 133.4 | -176.7 | 21.8 | -31.8 | 0 | 0 | 0 | 109.6 | V103 | P101-V103 WeakPolarHBondContact O-CG2 3.46Å; P101-V103 PolarHBondContact O-N 3.3Å |
| 102 | Y | 44.3 | Very low | 45.7 | Very low | 213 Ų | 213 | 136.2 Ų | 136.2 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | -54.4 | 100 | 175.5 | -174.4 | -102.1 | 0 | 0 | 0 | 109.6 | P100 T104 | P100-Y102 PolarHBondContact O-N 3.47Å; Y102-T104 HydrophobicContact CD1-CG2 3.75Å; Y102-T104 HydrophobicContact CE1-CG2 3.53Å; Y102-T104 PolarHBondContact O-N 3.13Å; Y102-T104 VanDerWaalsContact O-N 3.11Å | ||
| 103 | V | 45 | Very low | 44.9 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | -78 | 96.4 | 175 | -175.2 | 0 | 0 | 0 | 0 | 107 | P101 P105 | P101-V103 WeakPolarHBondContact O-CG2 3.46Å; P101-V103 PolarHBondContact O-N 3.3Å; V103-P105 WeakPolarHBondContact O-CD 3.39Å | ||
| 104 | T | 43.5 | Very low | 44.2 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 55% | 0.546 | 76% | 0.757 | S | S | . | * | trans | -61.4 | 123.9 | 161.6 | 48.8 | 0 | 0 | 0 | 0 | 107.3 | Y102 A106 | Y102-T104 HydrophobicContact CD1-CG2 3.75Å; Y102-T104 HydrophobicContact CE1-CG2 3.53Å; Y102-T104 PolarHBondContact O-N 3.13Å; Y102-T104 VanDerWaalsContact O-N 3.11Å; T104-A106 PolarHBondContact O-N 2.89Å | ||
| 105 | P | 48.5 | Very low | 43.8 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -62.5 | 109.5 | 171.9 | 25.6 | -31.9 | 0 | 0 | 0 | 107.7 | V103 T107 | V103-P105 WeakPolarHBondContact O-CD 3.39Å; P105-T107 PolarHBondContact O-N 2.92Å | ||
| 106 | A | 50.1 | Low | 43.8 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -80.5 | 11.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T104 | T104-A106 PolarHBondContact O-N 2.89Š| ||
| 107 | T | 48.3 | Very low | 43.1 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 61% | 0.613 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -121.2 | 131.1 | -179.8 | 28 | 0 | 0 | 0 | 0 | 110.8 | P105 E109 | P105-T107 PolarHBondContact O-N 2.92Å; T107-E109 PolarHBondContact O-N 3.37Å |
| 108 | F | 47.3 | Very low | 42.9 | Very low | 225 Ų | 225 | 128.1 Ų | 128.1 | 99% | 0.987 | 77% | 0.767 | S | S | * | * | trans | -75.7 | 53.3 | 176.7 | -159.9 | -94.2 | 0 | 0 | 0 | 110.4 | ||||
| 109 | E | 48.3 | Very low | 42.3 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | -104.2 | 119.9 | 178 | -154.3 | 163.3 | -160.7 | 0 | 0 | 109 | T107 | T107-E109 PolarHBondContact O-N 3.37Š| ||
| 110 | T | 45.1 | Very low | 41.4 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 124.9 | -175.7 | -20.5 | 0 | 0 | 0 | 0 | 110.2 | E112 | T110-E112 PolarHBondContact O-N 2.87Å; T110-E112 VanDerWaalsContact O-N 3.13Å |
| 111 | P | 46 | Very low | 40.3 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 121.1 | -179.9 | 22.6 | -31 | 0 | 0 | 0 | 110 | V113 | P111-V113 PolarHBondContact O-N 3.28Š|
| 112 | E | 38.3 | Very low | 39.6 | Very low | 177 Ų | 177 | 131.1 Ų | 131.1 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 121.1 | 173.9 | -168.7 | 170.9 | -174.2 | 0 | 0 | 108.8 | T110 H114 | T110-E112 PolarHBondContact O-N 2.87Å; T110-E112 VanDerWaalsContact O-N 3.13Å; E112-H114 PolarHBondContact O-N 3.31Å; E112-H114 PolarHBondContact O-ND1 3.06Å |
| 113 | V | 32.9 | Very low | 39.1 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | -58.7 | 111.4 | 177.8 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | P111 A115 | P111-V113 PolarHBondContact O-N 3.28Å; V113-A115 VanDerWaalsContact C-N 3.34Å; V113-A115 PolarHBondContact O-N 2.9Å | ||
| 114 | H | 33.7 | Very low | 38.5 | Very low | 185 Ų | 185 | 130.4 Ų | 130.4 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -66.4 | 94.6 | 170.9 | -79.8 | 59.7 | 0 | 0 | 0 | 108.7 | E112 G116 | E112-H114 PolarHBondContact O-N 3.31Å; E112-H114 PolarHBondContact O-ND1 3.06Å; H114-G116 PolarHBondContact O-N 2.73Å | ||
| 115 | A | 32.7 | Very low | 38 | Very low | 85 Ų | 85 | 137.5 Ų | 137.5 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | trans | -69.2 | 108.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | V113 T117 | V113-A115 VanDerWaalsContact C-N 3.34Å; V113-A115 PolarHBondContact O-N 2.9Å; A115-T117 PolarHBondContact O-N 2.95Å; A115-T117 VanDerWaalsContact O-N 3.15Å | ||
| 116 | G | 37.6 | Very low | 37.4 | Very low | 81 Ų | 81 | 138.6 Ų | 138.6 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 117.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H114 | H114-G116 PolarHBondContact O-N 2.73Š|
| 117 | T | 32.5 | Very low | 36.6 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 119 | 166.4 | -53.8 | 0 | 0 | 0 | 0 | 107.2 | A115 V119 | A115-T117 PolarHBondContact O-N 2.95Å; A115-T117 VanDerWaalsContact O-N 3.15Å; T117-V119 PolarHBondContact O-N 2.82Å |
| 118 | G | 33 | Very low | 36 | Very low | 67 Ų | 67 | 144.7 Ų | 144.7 | 69% | 0.691 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 130.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V120 | G118-V120 PolarHBondContact O-N 2.81Š|
| 119 | V | 32 | Very low | 35.3 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -73.9 | 110.3 | 165.1 | 172.9 | 0 | 0 | 0 | 0 | 107.7 | T117 G121 | T117-V119 PolarHBondContact O-N 2.82Å; V119-G121 PolarHBondContact O-N 3.02Å | ||
| 120 | V | 31.2 | Very low | 34.4 | Very low | 134 Ų | 134 | 141 Ų | 141 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 117 | 169.5 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | G118 N122 | G118-V120 PolarHBondContact O-N 2.81Å; V120-N122 PolarHBondContact O-N 3.25Å |
| 121 | G | 31 | Very low | 34.2 | Very low | 66 Ų | 66 | 141.1 Ų | 141.1 | 68% | 0.68 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 123.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V119 K123 | V119-G121 PolarHBondContact O-N 3.02Å; G121-K123 PolarHBondContact O-N 3.38Å |
| 122 | N | 30.6 | Very low | 33.6 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 118 | 161.8 | -92.7 | -22.5 | 0 | 0 | 0 | 109.1 | V120 P124 | V120-N122 PolarHBondContact O-N 3.25Å; N122-P124 WeakPolarHBondContact O-CD 3.46Å |
| 123 | K | 33.7 | Very low | 33.5 | Very low | 205 Ų | 205 | 144.4 Ų | 144.4 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 117.4 | 174.9 | -152.8 | 172.3 | -168.7 | 171 | 0 | 109.2 | G121 | G121-K123 PolarHBondContact O-N 3.38Š|
| 124 | P | 33.1 | Very low | 33.5 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 133.8 | 166.3 | 27.7 | -22.3 | 0 | 0 | 0 | 110.2 | N122 | N122-P124 WeakPolarHBondContact O-CD 3.46Š|
| 125 | R | 31.8 | Very low | 33.5 | Very low | 238 Ų | 238 | 142.5 Ų | 142.5 | 90% | 0.898 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 144 | 171.9 | -72.8 | 176.4 | 169.5 | 177.7 | -3.9 | 110.5 | ||
| 126 | P | 36.2 | Very low | 33.5 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 85% | 0.851 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 127.1 | 174.7 | 32.6 | -29.8 | 0 | 0 | 0 | 110.3 | ||
| 127 | R | 33.3 | Very low | 33.3 | Very low | 254 Ų | 254 | 142.6 Ų | 142.6 | 96% | 0.958 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 121.2 | 156.8 | -86.5 | -171 | 173.6 | -138.2 | 0.7 | 107.2 | ||
| 128 | G | 35.9 | Very low | 33.4 | Very low | 77 Ų | 77 | 145.3 Ų | 145.3 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 146.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 129 | R | 31.3 | Very low | 33.9 | Very low | 244 Ų | 244 | 150.9 Ų | 150.9 | 92% | 0.921 | 84% | 0.844 | S | S | * | * | trans | -165.9 | 114.4 | 152.2 | -177.6 | 172.7 | -75.2 | -110.2 | 0.5 | 110.5 | ||||
| 130 | G | 30.1 | Very low | 34.4 | Very low | 69 Ų | 69 | 151.8 Ų | 151.8 | 71% | 0.711 | 84% | 0.839 | S | S | * | * | trans | 78 | 129.9 | 145.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 131 | P | 42 | Very low | 35.1 | Very low | 132 Ų | 132 | 154.6 Ų | 154.6 | 86% | 0.857 | 84% | 0.844 | S | S | * | * | trans | -84.4 | 134.4 | 171 | 34.9 | -27.8 | 0 | 0 | 0 | 109.7 | ||||
| 132 | E | 31.8 | Very low | 36.3 | Very low | 193 Ų | 193 | 159.7 Ų | 159.7 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | trans | -140.7 | 127.6 | 159.6 | -138.4 | 178.3 | 172.8 | 0 | 0 | 107.9 | ||||
| 133 | D | 37.4 | Very low | 37.8 | Very low | 171 Ų | 171 | 159.6 Ų | 159.6 | 91% | 0.914 | 84% | 0.841 | S | S | * | * | trans | -67.1 | 136 | -168.6 | -60.2 | -65.6 | 0 | 0 | 0 | 112.3 | ||||
| 134 | G | 32.6 | Very low | 39.6 | Very low | 74 Ų | 74 | 154.8 Ų | 154.8 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | trans | -174.8 | 119.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A136 | G134-A136 PolarHBondContact O-N 3.29Š| ||
| 135 | E | 33.4 | Very low | 41.7 | Very low | 205 Ų | 205 | 151.6 Ų | 151.6 | 96% | 0.958 | 81% | 0.807 | S | S | * | * | trans | -33.3 | 119.9 | -176.4 | -80.5 | 167.6 | 135.4 | 0 | 0 | 116 | G137 | E135-G137 PolarHBondContact O-N 2.95Š| ||
| 136 | A | 32.1 | Very low | 44.1 | Very low | 100 Ų | 100 | 142 Ų | 142 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -76.4 | 100.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | G134 | G134-A136 PolarHBondContact O-N 3.29Š| ||
| 137 | G | 34.3 | Very low | 46.6 | Very low | 67 Ų | 67 | 138.6 Ų | 138.6 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | -69.4 | 122.5 | 153.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | E135 E139 | E135-G137 PolarHBondContact O-N 2.95Å; G137-E139 PolarHBondContact O-N 3.41Å | ||
| 138 | E | 35.2 | Very low | 49.2 | Very low | 194 Ų | 194 | 128 Ų | 128 | 91% | 0.907 | 72% | 0.717 | S | S | * | * | trans | -67.3 | 82.2 | 170 | -65.1 | 179.4 | 167.4 | 0 | 0 | 108.4 | E140 | E138-E140 PolarHBondContact O-N 2.9Å; E138-E140 VanDerWaalsContact O-N 3.14Å | ||
| 139 | E | 43.6 | Very low | 51.8 | Low | 183 Ų | 183 | 130.4 Ų | 130.4 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | trans | -71.6 | 102 | 161.1 | -72.3 | -173.9 | -179.4 | 0 | 0 | 106.4 | G137 E141 | G137-E139 PolarHBondContact O-N 3.41Å; E139-E141 PolarHBondContact O-N 3.44Å | ||
| 140 | E | 41.5 | Very low | 54.5 | Low | 163 Ų | 163 | 120.9 Ų | 120.9 | 76% | 0.762 | 68% | 0.681 | S | S | * | * | trans | -47.4 | 116.6 | 166.5 | -74.1 | -169.8 | 154.9 | 0 | 0 | 107.7 | E138 K142 | E138-E140 PolarHBondContact O-N 2.9Å; E138-E140 VanDerWaalsContact O-N 3.14Å; E140-K142 PolarHBondContact O-N 3.49Å | ||
| 141 | E | 45.9 | Very low | 57.4 | Low | 193 Ų | 193 | 117.7 Ų | 117.7 | 90% | 0.902 | 65% | 0.647 | S | S | * | * | trans | -61.9 | 83.3 | 169.4 | -69.4 | -174.3 | 166.2 | 0 | 0 | 107.3 | E139 E143 | E139-E141 PolarHBondContact O-N 3.44Å; E141-E143 PolarHBondContact O-N 3.02Å | ||
| 142 | K | 56.6 | Low | 59.7 | Low | 173 Ų | 173 | 114.6 Ų | 114.6 | 75% | 0.752 | 62% | 0.623 | S | S | * | * | trans | -60.2 | 113.1 | 175.8 | -71.9 | -175.9 | -179.7 | -179.7 | 0 | 106 | E140 | E140-K142 PolarHBondContact O-N 3.49Š| ||
| 143 | E | 61.6 | Low | 62.4 | Low | 165 Ų | 165 | 108.1 Ų | 108.1 | 77% | 0.771 | 60% | 0.599 | S | S | * | * | trans | -40 | 132.7 | 173.5 | -75.4 | -86.9 | 172.2 | 0 | 0 | 109.6 | E141 L145 | E141-E143 PolarHBondContact O-N 3.02Å; E143-L145 PolarHBondContact O-N 3.39Å | ||
| 144 | P | 71.1 | Confident | 64.8 | Low | 104 Ų | 104 | 106.8 Ų | 106.8 | 68% | 0.675 | 58% | 0.581 | S | S | * | * | trans | -55.8 | 122 | -173.7 | 22.3 | -32.6 | 0 | 0 | 0 | 109.3 | ||||
| 145 | L | 77.3 | Confident | 67.6 | Low | 53 Ų | 53 | 105.7 Ų | 105.7 | 28% | 0.277 | 55% | 0.554 | S | S | . | * | trans | -51.6 | 138.4 | -177.1 | -69.1 | 166.9 | 0 | 0 | 0 | 109.8 | G46 T49 V50 R53 E143 F151 | G46-L145 WeakPolarHBondContact O-CD1 3.45Å; T49-L145 HydrophobicContact CG2-CD1 4.33Å; V50-L145 HydrophobicContact CG2-CB 3.46Å; V50-L145 VanDerWaalsContact CG2-CB 3.46Å; V50-L145 HydrophobicContact CG2-CD1 3.89Å; V50-L145 HydrophobicContact CG2-CG 4.29Å; R53-L145 PolarHBondContact NH1-O 3.24Å; R53-L145 PolarHBondContact NH2-O 3.17Å; E143-L145 PolarHBondContact O-N 3.39Å; L145-F151 HydrophobicContact CD2-CD2 4.32Å; L145-F151 HydrophobicContact CD2-CE2 4.11Å | ||
| 146 | P | 82.9 | Confident | 70.5 | Confident | 38 Ų | 38 | 96.4 Ų | 96.4 | 25% | 0.247 | 51% | 0.512 | C | S | . | . | trans | -64.4 | 175.1 | -178.2 | 28.6 | -35.4 | 0 | 0 | 0 | 111.7 | R53 V150 | R53-P146 PolarHBondContact NH2-O 3.26Å; P146-V150 HydrophobicContact CB-CB 3.93Å; P146-V150 HydrophobicContact CB-CG1 3.65Å; P146-V150 HydrophobicContact CG-CB 4.39Å; P146-V150 HydrophobicContact CG-CG1 3.95Å | ||
| 147 | S | 88.3 | Confident | 73.4 | Confident | 58 Ų | 58 | 92.5 Ų | 92.5 | 41% | 0.406 | 48% | 0.478 | S | S | . | . | trans | -58.7 | 155 | 176.3 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | D149 V150 F151 | S147-D149 VanDerWaalsContact C-N 3.33Å; S147-D149 PolarHBondContact O-N 3.31Å; S147-V150 WeakPolarHBondContact O-CA 3.47Å; S147-V150 WeakPolarHBondContact O-CB 3.32Å; S147-V150 PolarHBondContact O-N 2.99Å; S147-V150 WeakPolarHBondContact OG-CG2 3.4Å; S147-F151 PolarHBondContact O-N 3.25Å | ||
| 148 | L | 88.9 | Confident | 76.2 | Confident | 31 Ų | 31 | 94 Ų | 94 | 16% | 0.162 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -46.3 | -51.1 | -176.3 | -177.1 | 60.9 | 0 | 0 | 0 | 113.8 | L47 V50 I51 F55 V150 F151 L152 | L47-L148 HydrophobicContact CD1-CD1 3.39Å; V50-L148 HydrophobicContact CG1-CB 3.91Å; V50-L148 HydrophobicContact CG1-CD1 4.24Å; I51-L148 HydrophobicContact CG1-CD1 4.05Å; I51-L148 HydrophobicContact CG1-CD2 4.37Å; F55-L148 HydrophobicContact CE2-CB 4.42Å; F55-L148 HydrophobicContact CE2-CD2 3.68Å; F55-L148 HydrophobicContact CZ-CD2 4.22Å; L148-V150 VanDerWaalsContact C-N 3.28Å; L148-V150 PolarHBondContact O-N 3.44Å; L148-F151 WeakPolarHBondContact O-CB 3.37Å; L148-F151 PolarHBondContact O-N 2.91Å; L148-F151 VanDerWaalsContact O-N 3.15Å; L148-L152 HydrophobicContact CD1-CD1 4.04Å; L148-L152 HydrophobicContact CD1-CG 4.1Å; L148-L152 HydrophobicContact CG-CD1 3.99Å; L148-L152 HydrophobicContact CG-CG 4.42Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 3.11Å |
| 149 | D | 89.1 | Confident | 79 | Confident | 129 Ų | 129 | 89.7 Ų | 89.7 | 69% | 0.69 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.1 | -38.3 | -179.9 | -72.7 | 1.6 | 0 | 0 | 0 | 113 | S147 S153 | S147-D149 VanDerWaalsContact C-N 3.33Å; S147-D149 PolarHBondContact O-N 3.31Å; D149-S153 WeakPolarHBondContact O-CB 3.27Å; D149-S153 PolarHBondContact O-N 2.88Å; D149-S153 PolarHBondContact O-OG 3.42Å |
| 150 | V | 88.9 | Confident | 81.3 | Confident | 44 Ų | 44 | 84 Ų | 84 | 27% | 0.267 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -72.5 | -38.9 | 179.4 | 176.2 | 0 | 0 | 0 | 0 | 109.8 | P146 S147 L148 S153 R154 | P146-V150 HydrophobicContact CB-CB 3.93Å; P146-V150 HydrophobicContact CB-CG1 3.65Å; P146-V150 HydrophobicContact CG-CB 4.39Å; P146-V150 HydrophobicContact CG-CG1 3.95Å; S147-V150 WeakPolarHBondContact O-CA 3.47Å; S147-V150 WeakPolarHBondContact O-CB 3.32Å; S147-V150 PolarHBondContact O-N 2.99Å; S147-V150 WeakPolarHBondContact OG-CG2 3.4Å; L148-V150 VanDerWaalsContact C-N 3.28Å; L148-V150 PolarHBondContact O-N 3.44Å; V150-S153 PolarHBondContact O-N 3.09Å; V150-S153 PolarHBondContact O-OG 3.43Å; V150-R154 HydrophobicContact CG1-CG 4.46Å; V150-R154 WeakPolarHBondContact O-CB 3.38Å; V150-R154 VanDerWaalsContact O-CG 3.29Å; V150-R154 WeakPolarHBondContact O-CG 3.37Å; V150-R154 PolarHBondContact O-N 3.07Å; V150-R154 VanDerWaalsContact O-N 3.17Å |
| 151 | F | 90.8 | Very high | 83.7 | Confident | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.009 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.5 | -52.8 | 174.6 | -174.8 | -94.4 | 0 | 0 | 0 | 111.1 | L38 Y43 L47 V50 L145 S147 L148 S153 R154 Y155 | L38-F151 HydrophobicContact CD1-CZ 4.37Å; Y43-F151 AromaticContact CD2-CE1 3.99Å; Y43-F151 HydrophobicContact CD2-CE1 3.99Å; Y43-F151 HydrophobicContact CD2-CZ 4.22Å; Y43-F151 AromaticContact CE2-CE1 3.74Å; Y43-F151 HydrophobicContact CE2-CE1 3.74Å; Y43-F151 HydrophobicContact CE2-CZ 4.39Å; L47-F151 HydrophobicContact CB-CE1 4.07Å; L47-F151 HydrophobicContact CD1-CD1 4.16Å; L47-F151 HydrophobicContact CD1-CE1 4.29Å; V50-F151 HydrophobicContact CG2-CD2 4.49Å; L145-F151 HydrophobicContact CD2-CD2 4.32Å; L145-F151 HydrophobicContact CD2-CE2 4.11Å; S147-F151 PolarHBondContact O-N 3.25Å; L148-F151 WeakPolarHBondContact O-CB 3.37Å; L148-F151 PolarHBondContact O-N 2.91Å; L148-F151 VanDerWaalsContact O-N 3.15Å; F151-S153 VanDerWaalsContact C-N 3.27Å; F151-S153 PolarHBondContact O-N 3.42Å; F151-R154 PolarHBondContact O-N 2.69Å; F151-Y155 AromaticContact CD2-CD2 3.49Å; F151-Y155 HydrophobicContact CD2-CD2 3.49Å; F151-Y155 VanDerWaalsContact CD2-CD2 3.49Å; F151-Y155 AromaticContact CD2-CE2 3.84Å; F151-Y155 HydrophobicContact CD2-CE2 3.84Å; F151-Y155 HydrophobicContact CD2-CG 4.41Å; F151-Y155 AromaticContact CE2-CD2 3.65Å; F151-Y155 HydrophobicContact CE2-CD2 3.65Å; F151-Y155 HydrophobicContact CE2-CE2 4.07Å; F151-Y155 HydrophobicContact CE2-CG 4.18Å; F151-Y155 HydrophobicContact CG-CD2 4.03Å; F151-Y155 HydrophobicContact CZ-CD2 4.3Å; F151-Y155 HydrophobicContact CZ-CG 4.48Å; F151-Y155 WeakPolarHBondContact O-CD2 3.44Å; F151-Y155 PolarHBondContact O-N 3.04Å |
| 152 | L | 89.8 | Confident | 85.9 | Confident | 67 Ų | 67 | 70.8 Ų | 70.8 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.7 | -32.4 | 178.4 | -64.3 | 175.7 | 0 | 0 | 0 | 113 | Q35 Y43 L47 L148 R154 | Q35-L152 PolarHBondContact NE2-O 3.05Å; Y43-L152 WeakPolarHBondContact OH-CD2 3.34Å; L47-L152 HydrophobicContact CD1-CD2 3.94Å; L148-L152 HydrophobicContact CD1-CD1 4.04Å; L148-L152 HydrophobicContact CD1-CG 4.1Å; L148-L152 HydrophobicContact CG-CD1 3.99Å; L148-L152 HydrophobicContact CG-CG 4.42Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 3.11Å; L152-R154 VanDerWaalsContact C-N 3.34Å |
| 153 | S | 88.1 | Confident | 87.6 | Confident | 56 Ų | 56 | 68.3 Ų | 68.3 | 39% | 0.392 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -73.3 | -25.5 | 176.4 | 75.1 | 0 | 0 | 0 | 0 | 113.9 | D149 V150 F151 | D149-S153 WeakPolarHBondContact O-CB 3.27Å; D149-S153 PolarHBondContact O-N 2.88Å; D149-S153 PolarHBondContact O-OG 3.42Å; V150-S153 PolarHBondContact O-N 3.09Å; V150-S153 PolarHBondContact O-OG 3.43Å; F151-S153 VanDerWaalsContact C-N 3.27Å; F151-S153 PolarHBondContact O-N 3.42Å |
| 154 | R | 89.4 | Confident | 89 | Confident | 144 Ų | 144 | 64 Ų | 64 | 54% | 0.543 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -101.5 | -30 | -172.8 | -72.8 | 179.9 | -177.7 | -175.6 | 3.3 | 113.1 | Q35 R36 V150 F151 L152 | Q35-R154 CarbonylContact C-O 3.58Å; Q35-R154 WeakPolarHBondContact CA-O 3.22Å; R36-R154 PolarHBondContact N-O 3.47Å; V150-R154 HydrophobicContact CG1-CG 4.46Å; V150-R154 WeakPolarHBondContact O-CB 3.38Å; V150-R154 VanDerWaalsContact O-CG 3.29Å; V150-R154 WeakPolarHBondContact O-CG 3.37Å; V150-R154 PolarHBondContact O-N 3.07Å; V150-R154 VanDerWaalsContact O-N 3.17Å; F151-R154 PolarHBondContact O-N 2.69Å; L152-R154 VanDerWaalsContact C-N 3.34Å |
| 155 | Y | 91 | Very high | 90.1 | Very high | 50 Ų | 50 | 65.1 Ų | 65.1 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147.8 | -173.3 | -57.7 | -80.7 | 0 | 0 | 0 | 111.4 | R36 L38 F151 | R36-Y155 HydrophobicContact CB-CD1 3.83Å; R36-Y155 HydrophobicContact CB-CE1 4.15Å; R36-Y155 VanDerWaalsContact O-CA 3.3Å; R36-Y155 WeakPolarHBondContact O-CA 3.31Å; L38-Y155 HydrophobicContact CD1-CD1 3.46Å; L38-Y155 VanDerWaalsContact CD1-CD1 3.46Å; L38-Y155 HydrophobicContact CD1-CE1 4.09Å; L38-Y155 HydrophobicContact CD1-CG 3.85Å; L38-Y155 HydrophobicContact CD2-CD1 4.17Å; L38-Y155 HydrophobicContact CD2-CE1 4.4Å; L38-Y155 HydrophobicContact CG-CD1 3.73Å; L38-Y155 HydrophobicContact CG-CE1 4.42Å; L38-Y155 HydrophobicContact CG-CG 4.45Å; F151-Y155 AromaticContact CD2-CD2 3.49Å; F151-Y155 HydrophobicContact CD2-CD2 3.49Å; F151-Y155 VanDerWaalsContact CD2-CD2 3.49Å; F151-Y155 AromaticContact CD2-CE2 3.84Å; F151-Y155 HydrophobicContact CD2-CE2 3.84Å; F151-Y155 HydrophobicContact CD2-CG 4.41Å; F151-Y155 AromaticContact CE2-CD2 3.65Å; F151-Y155 HydrophobicContact CE2-CD2 3.65Å; F151-Y155 HydrophobicContact CE2-CE2 4.07Å; F151-Y155 HydrophobicContact CE2-CG 4.18Å; F151-Y155 HydrophobicContact CG-CD2 4.03Å; F151-Y155 HydrophobicContact CZ-CD2 4.3Å; F151-Y155 HydrophobicContact CZ-CG 4.48Å; F151-Y155 WeakPolarHBondContact O-CD2 3.44Å; F151-Y155 PolarHBondContact O-N 3.04Å |
| 156 | T | 93.1 | Very high | 90.9 | Very high | 11 Ų | 11 | 67.3 Ų | 67.3 | 7% | 0.067 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 151.7 | 171.9 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | Q35 R36 V37 L38 N160 | Q35-T156 HydrophobicContact CB-CG2 3.66Å; R36-T156 PolarHBondContact O-N 3.33Å; V37-T156 WeakPolarHBondContact CA-O 3.49Å; V37-T156 HydrophobicContact CB-CG2 4.41Å; V37-T156 HydrophobicContact CG2-CG2 3.89Å; L38-T156 PolarHBondContact N-O 2.97Å; T156-N160 PolarHBondContact OG1-ND2 3.36Å |
| 157 | S | 93.9 | Very high | 91.3 | Very high | 17 Ų | 17 | 69 Ų | 69 | 12% | 0.119 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 153.6 | 172.4 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | L38 E40 D159 N160 A161 | L38-S157 CarbonylContact O-C 2.88Å; E40-S157 WeakPolarHBondContact OE2-CB 3.34Å; S157-D159 VanDerWaalsContact C-N 3.29Å; S157-D159 PolarHBondContact O-N 3.08Å; S157-N160 PolarHBondContact O-N 3.24Å; S157-N160 WeakPolarHBondContact OG-CB 3.47Å; S157-N160 PolarHBondContact OG-N 3.43Å; S157-A161 PolarHBondContact O-N 3.05Å; S157-A161 VanDerWaalsContact O-N 3.08Å |
| 158 | E | 93.4 | Very high | 91.5 | Very high | 100 Ų | 100 | 71.7 Ų | 71.7 | 47% | 0.467 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -51.9 | -46.9 | 168.8 | -173.6 | -174.3 | 171.9 | 0 | 0 | 111.5 | V37 L38 N160 A161 S162 | V37-E158 HydrophobicContact CG1-CB 4.23Å; L38-E158 PolarHBondContact O-N 3.47Å; E158-N160 VanDerWaalsContact C-N 3.32Å; E158-N160 PolarHBondContact O-N 2.91Å; E158-A161 PolarHBondContact O-N 2.93Å; E158-S162 VanDerWaalsContact O-CB 3.3Å; E158-S162 WeakPolarHBondContact O-CB 3.25Å; E158-S162 PolarHBondContact O-N 3Å |
| 159 | D | 94 | Very high | 91.8 | Very high | 103 Ų | 103 | 74 Ų | 74 | 55% | 0.551 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.9 | -40.6 | 179.1 | -94 | 7.5 | 0 | 0 | 0 | 112.3 | S157 F163 | S157-D159 VanDerWaalsContact C-N 3.29Å; S157-D159 PolarHBondContact O-N 3.08Å; D159-F163 WeakPolarHBondContact O-CB 3.33Å; D159-F163 PolarHBondContact O-N 2.95Å |
| 160 | N | 91.2 | Very high | 92.1 | Very high | 63 Ų | 63 | 70 Ų | 70 | 34% | 0.337 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.8 | -39.5 | 178 | -176.6 | 55 | 0 | 0 | 0 | 111.8 | T156 S157 E158 F163 Q164 | T156-N160 PolarHBondContact OG1-ND2 3.36Å; S157-N160 PolarHBondContact O-N 3.24Å; S157-N160 WeakPolarHBondContact OG-CB 3.47Å; S157-N160 PolarHBondContact OG-N 3.43Å; E158-N160 VanDerWaalsContact C-N 3.32Å; E158-N160 PolarHBondContact O-N 2.91Å; N160-F163 PolarHBondContact O-N 3.39Å; N160-Q164 PolarHBondContact ND2-NE2 3.01Å; N160-Q164 WeakPolarHBondContact O-CG 3.48Å; N160-Q164 PolarHBondContact O-N 3.37Å; N160-Q164 VanDerWaalsContact O-N 3.12Å |
| 161 | A | 91.8 | Very high | 92.2 | Very high | 28 Ų | 28 | 74.3 Ų | 74.3 | 23% | 0.231 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65 | -44.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V37 S157 E158 F163 Q164 E165 | V37-A161 HydrophobicContact CB-CB 4.5Å; V37-A161 HydrophobicContact CG1-CB 3.88Å; V37-A161 HydrophobicContact CG2-CB 3.73Å; S157-A161 PolarHBondContact O-N 3.05Å; S157-A161 VanDerWaalsContact O-N 3.08Å; E158-A161 PolarHBondContact O-N 2.93Å; A161-F163 PolarHBondContact O-N 2.94Å; A161-Q164 WeakPolarHBondContact O-CB 3.48Å; A161-Q164 PolarHBondContact O-N 3.34Å; A161-E165 PolarHBondContact O-N 3.14Å |
| 162 | S | 92.9 | Very high | 92.3 | Very high | 50 Ų | 50 | 80.1 Ų | 80.1 | 35% | 0.35 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 174.8 | 173.7 | 0 | 0 | 0 | 0 | 112 | E158 Q164 E165 I166 | E158-S162 VanDerWaalsContact O-CB 3.3Å; E158-S162 WeakPolarHBondContact O-CB 3.25Å; E158-S162 PolarHBondContact O-N 3Å; S162-Q164 VanDerWaalsContact C-N 3.33Å; S162-Q164 PolarHBondContact O-N 3.03Å; S162-E165 PolarHBondContact O-N 2.97Å; S162-I166 WeakPolarHBondContact O-CG1 3.45Å; S162-I166 PolarHBondContact O-N 2.67Å |
| 163 | F | 92.7 | Very high | 92.6 | Very high | 121 Ų | 121 | 84.8 Ų | 84.8 | 53% | 0.531 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 176.4 | 178.9 | -102.9 | 0 | 0 | 0 | 112.4 | D159 N160 A161 I166 M167 | D159-F163 WeakPolarHBondContact O-CB 3.33Å; D159-F163 PolarHBondContact O-N 2.95Å; N160-F163 PolarHBondContact O-N 3.39Å; A161-F163 PolarHBondContact O-N 2.94Å; F163-I166 PolarHBondContact O-N 3.48Å; F163-M167 HydrophobicContact CD1-CG 4.25Å; F163-M167 HydrophobicContact CE1-CG 3.79Å; F163-M167 HydrophobicContact CE1-SD 4.47Å; F163-M167 HydrophobicContact CE2-CG 4.16Å; F163-M167 HydrophobicContact CE2-SD 4.41Å; F163-M167 HydrophobicContact CZ-CG 3.74Å; F163-M167 HydrophobicContact CZ-SD 3.94Å; F163-M167 VanDerWaalsContact O-CG 3.29Å; F163-M167 WeakPolarHBondContact O-CG 3.35Å; F163-M167 PolarHBondContact O-N 3.23Å |
| 164 | Q | 90.9 | Very high | 92.7 | Very high | 75 Ų | 75 | 84.3 Ų | 84.3 | 35% | 0.35 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 175.8 | -70.9 | 175.3 | 26.3 | 0 | 0 | 111.3 | N160 A161 S162 I166 M167 E168 | N160-Q164 PolarHBondContact ND2-NE2 3.01Å; N160-Q164 WeakPolarHBondContact O-CG 3.48Å; N160-Q164 PolarHBondContact O-N 3.37Å; N160-Q164 VanDerWaalsContact O-N 3.12Å; A161-Q164 WeakPolarHBondContact O-CB 3.48Å; A161-Q164 PolarHBondContact O-N 3.34Å; S162-Q164 VanDerWaalsContact C-N 3.33Å; S162-Q164 PolarHBondContact O-N 3.03Å; Q164-I166 PolarHBondContact O-N 3.3Å; Q164-M167 WeakPolarHBondContact O-CB 3.45Å; Q164-M167 PolarHBondContact O-N 3.14Å; Q164-M167 VanDerWaalsContact O-N 3.17Å; Q164-E168 WeakPolarHBondContact O-CG 3.27Å; Q164-E168 PolarHBondContact O-N 2.74Å |
| 165 | E | 92.9 | Very high | 92.8 | Very high | 128 Ų | 128 | 84.6 Ų | 84.6 | 60% | 0.598 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.1 | -46.8 | 176 | -174.2 | 178.4 | -179.8 | 0 | 0 | 111.6 | A161 S162 M167 E168 V169 | A161-E165 PolarHBondContact O-N 3.14Å; S162-E165 PolarHBondContact O-N 2.97Å; E165-M167 PolarHBondContact O-N 2.87Å; E165-E168 PolarHBondContact O-N 2.94Å; E165-E168 VanDerWaalsContact O-N 3.11Å; E165-V169 WeakPolarHBondContact O-CG2 3.46Å; E165-V169 PolarHBondContact O-N 3.1Å |
| 166 | I | 94.6 | Very high | 92.9 | Very high | 99 Ų | 99 | 85.7 Ų | 85.7 | 51% | 0.508 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.9 | -37.9 | 176.7 | -67.5 | 166.5 | 0 | 0 | 0 | 111.1 | S162 F163 Q164 A170 | S162-I166 WeakPolarHBondContact O-CG1 3.45Å; S162-I166 PolarHBondContact O-N 2.67Å; F163-I166 PolarHBondContact O-N 3.48Å; Q164-I166 PolarHBondContact O-N 3.3Å; I166-A170 VanDerWaalsContact O-CB 3.29Å; I166-A170 WeakPolarHBondContact O-CB 3.29Å; I166-A170 PolarHBondContact O-N 3.19Å |
| 167 | M | 91.6 | Very high | 92.9 | Very high | 74 Ų | 74 | 93.7 Ų | 93.7 | 37% | 0.365 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 175.8 | -72.9 | -73 | 80.7 | 0 | 0 | 112.9 | F163 Q164 E165 A170 K171 | F163-M167 HydrophobicContact CD1-CG 4.25Å; F163-M167 HydrophobicContact CE1-CG 3.79Å; F163-M167 HydrophobicContact CE1-SD 4.47Å; F163-M167 HydrophobicContact CE2-CG 4.16Å; F163-M167 HydrophobicContact CE2-SD 4.41Å; F163-M167 HydrophobicContact CZ-CG 3.74Å; F163-M167 HydrophobicContact CZ-SD 3.94Å; F163-M167 VanDerWaalsContact O-CG 3.29Å; F163-M167 WeakPolarHBondContact O-CG 3.35Å; F163-M167 PolarHBondContact O-N 3.23Å; Q164-M167 WeakPolarHBondContact O-CB 3.45Å; Q164-M167 PolarHBondContact O-N 3.14Å; Q164-M167 VanDerWaalsContact O-N 3.17Å; E165-M167 PolarHBondContact O-N 2.87Å; M167-A170 HydrophobicContact CE-CB 4.14Å; M167-A170 PolarHBondContact O-N 3.25Å; M167-K171 WeakPolarHBondContact O-CB 3.26Å; M167-K171 VanDerWaalsContact O-CG 3.24Å; M167-K171 WeakPolarHBondContact O-CG 3.28Å; M167-K171 PolarHBondContact O-N 3.06Å |
| 168 | E | 91.9 | Very high | 92.9 | Very high | 113 Ų | 113 | 96.7 Ų | 96.7 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.2 | -49.1 | 173.9 | -70.9 | -179.1 | 175.6 | 0 | 0 | 111.3 | Q164 E165 A170 K171 E172 | Q164-E168 WeakPolarHBondContact O-CG 3.27Å; Q164-E168 PolarHBondContact O-N 2.74Å; E165-E168 PolarHBondContact O-N 2.94Å; E165-E168 VanDerWaalsContact O-N 3.11Å; E168-A170 VanDerWaalsContact C-N 3.3Å; E168-A170 PolarHBondContact O-N 3.03Å; E168-K171 CarbonylContact O-C 3.13Å; E168-K171 WeakPolarHBondContact O-CA 3.41Å; E168-K171 WeakPolarHBondContact O-CB 3.48Å; E168-K171 PolarHBondContact O-N 3.14Å; E168-E172 WeakPolarHBondContact O-CG 3.4Å; E168-E172 PolarHBondContact O-N 3.24Å |
| 169 | V | 96.1 | Very high | 92.9 | Very high | 80 Ų | 80 | 93.6 Ų | 93.6 | 49% | 0.485 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 176.6 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | E165 E172 R173 | E165-V169 WeakPolarHBondContact O-CG2 3.46Å; E165-V169 PolarHBondContact O-N 3.1Å; V169-E172 PolarHBondContact O-N 3.02Å; V169-R173 VanDerWaalsContact O-CB 3.31Å; V169-R173 WeakPolarHBondContact O-CB 3.3Å; V169-R173 PolarHBondContact O-N 3.08Å |
| 170 | A | 95.3 | Very high | 92.8 | Very high | 45 Ų | 45 | 96.7 Ų | 96.7 | 37% | 0.372 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | I166 M167 E168 S174 | I166-A170 VanDerWaalsContact O-CB 3.29Å; I166-A170 WeakPolarHBondContact O-CB 3.29Å; I166-A170 PolarHBondContact O-N 3.19Å; M167-A170 HydrophobicContact CE-CB 4.14Å; M167-A170 PolarHBondContact O-N 3.25Å; E168-A170 VanDerWaalsContact C-N 3.3Å; E168-A170 PolarHBondContact O-N 3.03Å; A170-S174 VanDerWaalsContact O-CB 3.3Å; A170-S174 WeakPolarHBondContact O-CB 3.39Å; A170-S174 PolarHBondContact O-N 3.22Å |
| 171 | K | 90.7 | Very high | 92.7 | Very high | 135 Ų | 135 | 95.2 Ų | 95.2 | 59% | 0.587 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.4 | -45.2 | 174.2 | -74.4 | 169.4 | -175.5 | 174.4 | 0 | 111 | M167 E168 S174 R175 | M167-K171 WeakPolarHBondContact O-CB 3.26Å; M167-K171 VanDerWaalsContact O-CG 3.24Å; M167-K171 WeakPolarHBondContact O-CG 3.28Å; M167-K171 PolarHBondContact O-N 3.06Å; E168-K171 CarbonylContact O-C 3.13Å; E168-K171 WeakPolarHBondContact O-CA 3.41Å; E168-K171 WeakPolarHBondContact O-CB 3.48Å; E168-K171 PolarHBondContact O-N 3.14Å; K171-S174 WeakPolarHBondContact O-CB 3.43Å; K171-S174 PolarHBondContact O-N 2.8Å; K171-R175 WeakPolarHBondContact O-CB 3.41Å; K171-R175 WeakPolarHBondContact O-CG 3.27Å; K171-R175 PolarHBondContact O-N 3.39Å |
| 172 | E | 93.1 | Very high | 92.5 | Very high | 124 Ų | 124 | 95.7 Ų | 95.7 | 58% | 0.579 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.7 | -46.4 | 177.3 | -73 | -177.7 | 173.3 | 0 | 0 | 112.1 | E168 V169 S174 R175 A176 | E168-E172 WeakPolarHBondContact O-CG 3.4Å; E168-E172 PolarHBondContact O-N 3.24Å; V169-E172 PolarHBondContact O-N 3.02Å; E172-S174 VanDerWaalsContact C-N 3.27Å; E172-S174 PolarHBondContact O-N 3.14Å; E172-R175 CarbonylContact O-C 3.54Å; E172-R175 WeakPolarHBondContact O-CB 3.38Å; E172-R175 PolarHBondContact O-N 3.3Å; E172-R175 VanDerWaalsContact O-N 3.11Å; E172-A176 WeakPolarHBondContact O-CB 3.36Å; E172-A176 PolarHBondContact O-N 3.32Å |
| 173 | R | 95.8 | Very high | 92.5 | Very high | 164 Ų | 164 | 98.4 Ų | 98.4 | 62% | 0.619 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.6 | -39.6 | 175.4 | -171.7 | 178.7 | -174.9 | -177.5 | 3.3 | 111.7 | V169 R177 | V169-R173 VanDerWaalsContact O-CB 3.31Å; V169-R173 WeakPolarHBondContact O-CB 3.3Å; V169-R173 PolarHBondContact O-N 3.08Å; R173-R177 WeakPolarHBondContact O-CG 3.45Å; R173-R177 PolarHBondContact O-N 2.92Å |
| 174 | S | 90.3 | Very high | 92.3 | Very high | 46 Ų | 46 | 94.5 Ų | 94.5 | 32% | 0.322 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 174.5 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | A170 K171 E172 R177 H178 | A170-S174 VanDerWaalsContact O-CB 3.3Å; A170-S174 WeakPolarHBondContact O-CB 3.39Å; A170-S174 PolarHBondContact O-N 3.22Å; K171-S174 WeakPolarHBondContact O-CB 3.43Å; K171-S174 PolarHBondContact O-N 2.8Å; E172-S174 VanDerWaalsContact C-N 3.27Å; E172-S174 PolarHBondContact O-N 3.14Å; S174-R177 PolarHBondContact O-N 3.02Å; S174-H178 PolarHBondContact O-N 2.91Å; S174-H178 VanDerWaalsContact O-N 3.12Å; S174-H178 PolarHBondContact O-ND1 3.17Å |
| 175 | R | 90.8 | Very high | 92.3 | Very high | 150 Ų | 150 | 92.6 Ų | 92.6 | 57% | 0.566 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.3 | -46.7 | 174.1 | -77.8 | 179.1 | 174.8 | 174.9 | -1.2 | 111.9 | K171 E172 R177 H178 A179 Y182 | K171-R175 WeakPolarHBondContact O-CB 3.41Å; K171-R175 WeakPolarHBondContact O-CG 3.27Å; K171-R175 PolarHBondContact O-N 3.39Å; E172-R175 CarbonylContact O-C 3.54Å; E172-R175 WeakPolarHBondContact O-CB 3.38Å; E172-R175 PolarHBondContact O-N 3.3Å; E172-R175 VanDerWaalsContact O-N 3.11Å; R175-R177 PolarHBondContact O-N 3.18Å; R175-H178 CarbonylContact O-C 3.59Å; R175-H178 PolarHBondContact O-N 3.15Å; R175-H178 VanDerWaalsContact O-N 3.13Å; R175-A179 WeakPolarHBondContact O-CA 3.44Å; R175-A179 PolarHBondContact O-N 3.09Å; R175-Y182 HydrophobicContact CB-CD2 4.31Å; R175-Y182 HydrophobicContact CB-CE2 4.03Å; R175-Y182 HydrophobicContact CG-CD2 4.25Å; R175-Y182 HydrophobicContact CG-CE1 4.29Å; R175-Y182 HydrophobicContact CG-CE2 3.73Å |
| 176 | A | 93.8 | Very high | 92.2 | Very high | 73 Ų | 73 | 91.5 Ų | 91.5 | 60% | 0.603 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.6 | -41.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E172 H178 A179 | E172-A176 WeakPolarHBondContact O-CB 3.36Å; E172-A176 PolarHBondContact O-N 3.32Å; A176-H178 VanDerWaalsContact C-N 3.29Å; A176-H178 PolarHBondContact O-N 2.93Å; A176-A179 WeakPolarHBondContact O-CB 3.45Å; A176-A179 PolarHBondContact O-N 3.48Å |
| 177 | R | 94.2 | Very high | 92 | Very high | 179 Ų | 179 | 91.1 Ų | 91.1 | 68% | 0.675 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.8 | -36.3 | 174.5 | -78 | 180 | 168.2 | -169 | -3.3 | 112.9 | R173 S174 R175 | R173-R177 WeakPolarHBondContact O-CG 3.45Å; R173-R177 PolarHBondContact O-N 2.92Å; S174-R177 PolarHBondContact O-N 3.02Å; R175-R177 PolarHBondContact O-N 3.18Å |
| 178 | H | 92.5 | Very high | 91.8 | Very high | 80 Ų | 80 | 90.1 Ų | 90.1 | 37% | 0.37 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 32.3 | -179.8 | -57 | 92.2 | 0 | 0 | 0 | 111.7 | S174 R175 A176 W180 L181 Y182 | S174-H178 PolarHBondContact O-N 2.91Å; S174-H178 VanDerWaalsContact O-N 3.12Å; S174-H178 PolarHBondContact O-ND1 3.17Å; R175-H178 CarbonylContact O-C 3.59Å; R175-H178 PolarHBondContact O-N 3.15Å; R175-H178 VanDerWaalsContact O-N 3.13Å; A176-H178 VanDerWaalsContact C-N 3.29Å; A176-H178 PolarHBondContact O-N 2.93Å; H178-W180 PolarHBondContact O-N 3.31Å; H178-W180 VanDerWaalsContact O-N 3.09Å; H178-L181 HydrophobicContact CB-CD1 4.1Å; H178-L181 WeakPolarHBondContact O-CB 3.29Å; H178-L181 PolarHBondContact O-N 2.93Å; H178-Y182 HydrophobicContact CB-CE2 4.11Å; H178-Y182 VanDerWaalsContact O-CD2 3.27Å; H178-Y182 WeakPolarHBondContact O-CD2 3.42Å |
| 179 | A | 93.5 | Very high | 91.7 | Very high | 35 Ų | 35 | 88.9 Ų | 88.9 | 29% | 0.289 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -54.3 | -36.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R175 A176 L181 Y182 Q183 | R175-A179 WeakPolarHBondContact O-CA 3.44Å; R175-A179 PolarHBondContact O-N 3.09Å; A176-A179 WeakPolarHBondContact O-CB 3.45Å; A176-A179 PolarHBondContact O-N 3.48Å; A179-L181 VanDerWaalsContact C-N 3.27Å; A179-L181 PolarHBondContact O-N 3.43Å; A179-Y182 PolarHBondContact O-N 3.37Å; A179-Y182 VanDerWaalsContact O-N 3.16Å; A179-Q183 WeakPolarHBondContact O-CB 3.31Å; A179-Q183 VanDerWaalsContact O-CG 3.24Å; A179-Q183 WeakPolarHBondContact O-CG 3.47Å; A179-Q183 PolarHBondContact O-N 2.83Å |
| 180 | W | 91.6 | Very high | 91.4 | Very high | 168 Ų | 168 | 90.8 Ų | 90.8 | 64% | 0.636 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58 | -33.5 | 177.9 | 68.9 | -90.9 | 0 | 0 | 0 | 114 | H178 A184 | H178-W180 PolarHBondContact O-N 3.31Å; H178-W180 VanDerWaalsContact O-N 3.09Å; W180-A184 PolarHBondContact O-N 2.9Å |
| 181 | L | 89.3 | Confident | 91 | Very high | 32 Ų | 32 | 95.3 Ų | 95.3 | 17% | 0.168 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -68.6 | -44.2 | 177 | -78.6 | 175.6 | 0 | 0 | 0 | 111.2 | H178 A179 E185 A220 | H178-L181 HydrophobicContact CB-CD1 4.1Å; H178-L181 WeakPolarHBondContact O-CB 3.29Å; H178-L181 PolarHBondContact O-N 2.93Å; A179-L181 VanDerWaalsContact C-N 3.27Å; A179-L181 PolarHBondContact O-N 3.43Å; L181-E185 PolarHBondContact O-N 3.14Å; L181-A220 HydrophobicContact CB-CB 4.1Å |
| 182 | Y | 89.3 | Confident | 90.8 | Very high | 38 Ų | 38 | 90 Ų | 90 | 15% | 0.149 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -77.1 | -32.4 | -177.7 | -59.1 | -77.1 | 0 | 0 | 0 | 111.8 | R175 H178 A179 A184 E185 E186 A220 K221 | R175-Y182 HydrophobicContact CB-CD2 4.31Å; R175-Y182 HydrophobicContact CB-CE2 4.03Å; R175-Y182 HydrophobicContact CG-CD2 4.25Å; R175-Y182 HydrophobicContact CG-CE1 4.29Å; R175-Y182 HydrophobicContact CG-CE2 3.73Å; H178-Y182 HydrophobicContact CB-CE2 4.11Å; H178-Y182 VanDerWaalsContact O-CD2 3.27Å; H178-Y182 WeakPolarHBondContact O-CD2 3.42Å; A179-Y182 PolarHBondContact O-N 3.37Å; A179-Y182 VanDerWaalsContact O-N 3.16Å; Y182-A184 VanDerWaalsContact C-N 3.32Å; Y182-A184 PolarHBondContact O-N 2.89Å; Y182-E185 WeakPolarHBondContact O-CB 3.43Å; Y182-E185 PolarHBondContact O-N 3.37Å; Y182-E185 VanDerWaalsContact O-N 3.13Å; Y182-E186 WeakPolarHBondContact O-CG 3.18Å; Y182-E186 PolarHBondContact O-N 2.83Å; Y182-A220 HydrophobicContact CD1-CB 4.48Å; Y182-K221 WeakPolarHBondContact OH-CE 3.44Å; Y182-K221 PolarHBondContact OH-NZ 2.85Å |
| 183 | Q | 91.1 | Very high | 90.5 | Very high | 108 Ų | 108 | 89.5 Ų | 89.5 | 51% | 0.505 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 171.7 | -75.1 | 169.5 | -4.4 | 0 | 0 | 111.7 | A179 E185 E186 E187 | A179-Q183 WeakPolarHBondContact O-CB 3.31Å; A179-Q183 VanDerWaalsContact O-CG 3.24Å; A179-Q183 WeakPolarHBondContact O-CG 3.47Å; A179-Q183 PolarHBondContact O-N 2.83Å; Q183-E185 VanDerWaalsContact C-N 3.27Å; Q183-E185 PolarHBondContact O-N 3.11Å; Q183-E186 PolarHBondContact O-N 3.38Å; Q183-E187 WeakPolarHBondContact O-CB 3.35Å; Q183-E187 WeakPolarHBondContact O-CG 3.34Å; Q183-E187 PolarHBondContact O-N 2.91Å |
| 184 | A | 89.8 | Confident | 89.9 | Confident | 38 Ų | 38 | 86.7 Ų | 86.7 | 31% | 0.314 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.3 | -34.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | W180 Y182 F188 Y218 | W180-A184 PolarHBondContact O-N 2.9Å; Y182-A184 VanDerWaalsContact C-N 3.32Å; Y182-A184 PolarHBondContact O-N 2.89Å; A184-F188 WeakPolarHBondContact O-CB 3.38Å; A184-F188 PolarHBondContact O-N 3.21Å; A184-Y218 HydrophobicContact CB-CE1 4.35Å |
| 185 | E | 90.3 | Very high | 89.5 | Confident | 36 Ų | 36 | 88.4 Ų | 88.4 | 17% | 0.168 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.8 | -48.7 | 174.2 | -173.1 | 169 | -165 | 0 | 0 | 111.8 | L181 Y182 Q183 E187 F188 E189 Y218 K219 A220 | L181-E185 PolarHBondContact O-N 3.14Å; Y182-E185 WeakPolarHBondContact O-CB 3.43Å; Y182-E185 PolarHBondContact O-N 3.37Å; Y182-E185 VanDerWaalsContact O-N 3.13Å; Q183-E185 VanDerWaalsContact C-N 3.27Å; Q183-E185 PolarHBondContact O-N 3.11Å; E185-E187 PolarHBondContact O-N 3.02Å; E185-F188 PolarHBondContact O-N 3.17Å; E185-E189 WeakPolarHBondContact O-CG 3.3Å; E185-E189 PolarHBondContact O-N 3.41Å; E185-Y218 HydrophobicContact CB-CD1 3.96Å; E185-Y218 HydrophobicContact CB-CE1 3.93Å; E185-Y218 HydrophobicContact CG-CD1 4.22Å; E185-K219 VanDerWaalsContact OE1-CA 3.27Å; E185-K219 WeakPolarHBondContact OE1-CA 3.36Å; E185-A220 VanDerWaalsContact OE2-CB 3.27Å; E185-A220 WeakPolarHBondContact OE2-CB 3.45Å; E185-A220 PolarHBondContact OE2-N 2.78Å; E185-A220 VanDerWaalsContact OE2-N 3.12Å |
| 186 | E | 89.9 | Confident | 89.1 | Confident | 105 Ų | 105 | 86 Ų | 86 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 176.1 | -70.2 | 176.5 | -163.7 | 0 | 0 | 113 | Y182 Q183 E189 K190 | Y182-E186 WeakPolarHBondContact O-CG 3.18Å; Y182-E186 PolarHBondContact O-N 2.83Å; Q183-E186 PolarHBondContact O-N 3.38Å; E186-E189 PolarHBondContact O-N 3.4Å; E186-K190 WeakPolarHBondContact O-CB 3.16Å; E186-K190 VanDerWaalsContact O-CG 3.29Å; E186-K190 WeakPolarHBondContact O-CG 3.19Å; E186-K190 PolarHBondContact O-N 3.46Å |
| 187 | E | 90.9 | Very high | 88.5 | Confident | 91 Ų | 91 | 88.7 Ų | 88.7 | 43% | 0.425 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 175.8 | -79 | -174.7 | -163.6 | 0 | 0 | 111.8 | Q183 E185 K190 R191 | Q183-E187 WeakPolarHBondContact O-CB 3.35Å; Q183-E187 WeakPolarHBondContact O-CG 3.34Å; Q183-E187 PolarHBondContact O-N 2.91Å; E185-E187 PolarHBondContact O-N 3.02Å; E187-K190 PolarHBondContact O-N 2.91Å; E187-R191 WeakPolarHBondContact O-CB 2.91Å; E187-R191 VanDerWaalsContact O-CG 3.31Å; E187-R191 WeakPolarHBondContact O-CG 3.27Å; E187-R191 PolarHBondContact O-N 3.27Å; E187-R191 IonicContact OE2-CZ 3.02Å; E187-R191 IonicContact OE2-NH1 3.1Å; E187-R191 IonicContact OE2-NH2 2.89Å; E187-R191 PolarHBondContact OE2-NH2 2.98Å |
| 188 | F | 88.5 | Confident | 87.3 | Confident | 53 Ų | 53 | 86.5 Ų | 86.5 | 23% | 0.232 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 176.2 | -176.3 | -90.2 | 0 | 0 | 0 | 110.9 | A184 E185 K190 R191 Q192 T215 W216 Y218 | A184-F188 WeakPolarHBondContact O-CB 3.38Å; A184-F188 PolarHBondContact O-N 3.21Å; E185-F188 PolarHBondContact O-N 3.17Å; F188-K190 PolarHBondContact O-N 2.99Å; F188-R191 PolarHBondContact O-N 2.93Å; F188-Q192 HydrophobicContact CD1-CG 3.7Å; F188-Q192 HydrophobicContact CE1-CG 3.28Å; F188-Q192 HydrophobicContact CE2-CG 4.48Å; F188-Q192 HydrophobicContact CG-CG 4.46Å; F188-Q192 HydrophobicContact CZ-CG 3.74Å; F188-Q192 WeakPolarHBondContact O-CB 3.36Å; F188-Q192 VanDerWaalsContact O-CG 3.31Å; F188-Q192 WeakPolarHBondContact O-CG 3.36Å; F188-Q192 PolarHBondContact O-N 3.21Å; F188-T215 WeakPolarHBondContact CZ-OG1 3.4Å; F188-W216 WeakPolarHBondContact CE1-O 3.45Å; F188-W216 WeakPolarHBondContact CZ-O 3.22Å; F188-Y218 HydrophobicContact CB-CD1 4.39Å; F188-Y218 VanDerWaalsContact CD1-CB 3.43Å; F188-Y218 HydrophobicContact CG-CG 4.41Å |
| 189 | E | 89.6 | Confident | 86.2 | Confident | 87 Ų | 87 | 85.2 Ų | 85.2 | 41% | 0.407 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 175.5 | -75.6 | -166.1 | 165.8 | 0 | 0 | 112.8 | E185 E186 Q192 K193 | E185-E189 WeakPolarHBondContact O-CG 3.3Å; E185-E189 PolarHBondContact O-N 3.41Å; E186-E189 PolarHBondContact O-N 3.4Å; E189-Q192 PolarHBondContact O-N 2.91Å; E189-K193 WeakPolarHBondContact O-CB 3.36Å; E189-K193 VanDerWaalsContact O-CG 3.29Å; E189-K193 WeakPolarHBondContact O-CG 3.27Å; E189-K193 PolarHBondContact O-N 2.94Å |
| 190 | K | 89.7 | Confident | 85.4 | Confident | 120 Ų | 120 | 87 Ų | 87 | 52% | 0.522 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.2 | -51.4 | 174.1 | -73.8 | 169 | -174 | 169.1 | 0 | 110.7 | E186 E187 F188 Q192 K193 D194 | E186-K190 WeakPolarHBondContact O-CB 3.16Å; E186-K190 VanDerWaalsContact O-CG 3.29Å; E186-K190 WeakPolarHBondContact O-CG 3.19Å; E186-K190 PolarHBondContact O-N 3.46Å; E187-K190 PolarHBondContact O-N 2.91Å; F188-K190 PolarHBondContact O-N 2.99Å; K190-Q192 VanDerWaalsContact C-N 3.27Å; K190-Q192 PolarHBondContact O-N 3.49Å; K190-K193 WeakPolarHBondContact O-CB 3.31Å; K190-K193 PolarHBondContact O-N 3.35Å; K190-K193 VanDerWaalsContact O-N 3.09Å; K190-D194 PolarHBondContact O-N 3.1Å |
| 191 | R | 87 | Confident | 84.4 | Confident | 139 Ų | 139 | 82.6 Ų | 82.6 | 53% | 0.525 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.9 | -37.8 | 176.4 | -70.6 | 178.5 | -167.8 | 129.4 | 12.4 | 112.4 | E187 F188 N195 | E187-R191 WeakPolarHBondContact O-CB 2.91Å; E187-R191 VanDerWaalsContact O-CG 3.31Å; E187-R191 WeakPolarHBondContact O-CG 3.27Å; E187-R191 PolarHBondContact O-N 3.27Å; E187-R191 IonicContact OE2-CZ 3.02Å; E187-R191 IonicContact OE2-NH1 3.1Å; E187-R191 IonicContact OE2-NH2 2.89Å; E187-R191 PolarHBondContact OE2-NH2 2.98Å; F188-R191 PolarHBondContact O-N 2.93Å; R191-N195 VanDerWaalsContact O-CB 3.27Å; R191-N195 WeakPolarHBondContact O-CB 3.31Å; R191-N195 PolarHBondContact O-N 3.38Å; R191-N195 PolarHBondContact O-ND2 3.27Å |
| 192 | Q | 85.9 | Confident | 83.6 | Confident | 24 Ų | 24 | 88.1 Ų | 88.1 | 11% | 0.112 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 175.2 | -77.1 | -57.9 | -66.9 | 0 | 0 | 111.6 | F188 E189 K190 N195 L196 T215 | F188-Q192 HydrophobicContact CD1-CG 3.7Å; F188-Q192 HydrophobicContact CE1-CG 3.28Å; F188-Q192 HydrophobicContact CE2-CG 4.48Å; F188-Q192 HydrophobicContact CG-CG 4.46Å; F188-Q192 HydrophobicContact CZ-CG 3.74Å; F188-Q192 WeakPolarHBondContact O-CB 3.36Å; F188-Q192 VanDerWaalsContact O-CG 3.31Å; F188-Q192 WeakPolarHBondContact O-CG 3.36Å; F188-Q192 PolarHBondContact O-N 3.21Å; E189-Q192 PolarHBondContact O-N 2.91Å; K190-Q192 VanDerWaalsContact C-N 3.27Å; K190-Q192 PolarHBondContact O-N 3.49Å; Q192-N195 PolarHBondContact O-N 2.95Å; Q192-L196 WeakPolarHBondContact O-CB 3.33Å; Q192-L196 WeakPolarHBondContact O-CD1 3.34Å; Q192-L196 WeakPolarHBondContact O-CG 3.28Å; Q192-L196 PolarHBondContact O-N 2.83Å; Q192-T215 PolarHBondContact NE2-OG1 3.16Å; Q192-T215 PolarHBondContact OE1-OG1 3.17Å |
| 193 | K | 86 | Confident | 82.5 | Confident | 114 Ų | 114 | 91.8 Ų | 91.8 | 50% | 0.496 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60 | -50.1 | 175.1 | -73.1 | 170.1 | -175.6 | 169.5 | 0 | 110.7 | E189 K190 N195 L196 E197 | E189-K193 WeakPolarHBondContact O-CB 3.36Å; E189-K193 VanDerWaalsContact O-CG 3.29Å; E189-K193 WeakPolarHBondContact O-CG 3.27Å; E189-K193 PolarHBondContact O-N 2.94Å; K190-K193 WeakPolarHBondContact O-CB 3.31Å; K190-K193 PolarHBondContact O-N 3.35Å; K190-K193 VanDerWaalsContact O-N 3.09Å; K193-N195 VanDerWaalsContact C-N 3.27Å; K193-N195 PolarHBondContact O-N 3.49Å; K193-L196 CarbonylContact O-C 3.57Å; K193-L196 PolarHBondContact O-N 3.16Å; K193-E197 WeakPolarHBondContact O-CB 3.5Å; K193-E197 WeakPolarHBondContact O-CG 3.35Å; K193-E197 PolarHBondContact O-N 3.29Å |
| 194 | D | 84.3 | Confident | 81.3 | Confident | 105 Ų | 105 | 91 Ų | 91 | 56% | 0.561 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.9 | -38 | 178 | -60.3 | -19.9 | 0 | 0 | 0 | 112 | K190 | K190-D194 PolarHBondContact O-N 3.1Å |
| 195 | N | 82.3 | Confident | 80.2 | Confident | 81 Ų | 81 | 93.4 Ų | 93.4 | 43% | 0.433 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.1 | -31 | 176.1 | -78.2 | -32.1 | 0 | 0 | 0 | 113.7 | R191 Q192 K193 G212 | R191-N195 VanDerWaalsContact O-CB 3.27Å; R191-N195 WeakPolarHBondContact O-CB 3.31Å; R191-N195 PolarHBondContact O-N 3.38Å; R191-N195 PolarHBondContact O-ND2 3.27Å; Q192-N195 PolarHBondContact O-N 2.95Å; K193-N195 VanDerWaalsContact C-N 3.27Å; K193-N195 PolarHBondContact O-N 3.49Å; N195-G212 PolarHBondContact O-N 2.9Å |
| 196 | L | 81.4 | Confident | 79.1 | Confident | 100 Ų | 100 | 98.3 Ų | 98.3 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -81.1 | -30 | 177.3 | -81.1 | 155.7 | 0 | 0 | 0 | 111.8 | Q192 K193 L198 | Q192-L196 WeakPolarHBondContact O-CB 3.33Å; Q192-L196 WeakPolarHBondContact O-CD1 3.34Å; Q192-L196 WeakPolarHBondContact O-CG 3.28Å; Q192-L196 PolarHBondContact O-N 2.83Å; K193-L196 CarbonylContact O-C 3.57Å; K193-L196 PolarHBondContact O-N 3.16Å; L196-L198 PolarHBondContact O-N 2.93Å |
| 197 | E | 81.6 | Confident | 77.8 | Confident | 129 Ų | 129 | 99.7 Ų | 99.7 | 60% | 0.603 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -70.2 | 126.7 | 177.3 | -75.7 | 179.8 | -165.1 | 0 | 0 | 110.2 | K193 P199 | K193-E197 WeakPolarHBondContact O-CB 3.5Å; K193-E197 WeakPolarHBondContact O-CG 3.35Å; K193-E197 PolarHBondContact O-N 3.29Å; E197-P199 WeakPolarHBondContact O-CD 3.38Å |
| 198 | L | 68.8 | Low | 76.2 | Confident | 134 Ų | 134 | 101.3 Ų | 101.3 | 70% | 0.702 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 125 | 172.2 | -75.9 | 162.7 | 0 | 0 | 0 | 108.3 | L196 | L196-L198 PolarHBondContact O-N 2.93Š|
| 199 | P | 70.2 | Confident | 74.7 | Confident | 52 Ų | 52 | 101.7 Ų | 101.7 | 34% | 0.338 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 151.2 | 176.9 | -19.4 | 28.7 | 0 | 0 | 0 | 110.7 | E197 H203 Q204 | E197-P199 WeakPolarHBondContact O-CD 3.38Å; P199-H203 HydrophobicContact CB-CB 4.23Å; P199-Q204 HydrophobicContact CB-CG 3.94Å; P199-Q204 HydrophobicContact CG-CG 4.37Å; P199-Q204 WeakPolarHBondContact O-CG 3.46Å; P199-Q204 PolarHBondContact O-NE2 2.96Å |
| 200 | S | 75.4 | Confident | 73.4 | Confident | 73 Ų | 73 | 106.4 Ų | 106.4 | 51% | 0.51 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 149.5 | 174.7 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | E202 H203 Q204 | S200-E202 PolarHBondContact O-N 3.39Å; S200-H203 PolarHBondContact O-N 3.44Å; S200-Q204 PolarHBondContact O-N 2.83Å |
| 201 | A | 71.3 | Confident | 72.2 | Confident | 76 Ų | 76 | 104.2 Ų | 104.2 | 63% | 0.628 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -54.6 | -30.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A205 | A201-A205 PolarHBondContact O-N 2.89Å |
| 202 | E | 73.2 | Confident | 71.2 | Confident | 147 Ų | 147 | 99.2 Ų | 99.2 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.8 | -37.7 | 175.5 | -62.9 | -180 | 169.8 | 0 | 0 | 112.6 | S200 I206 | S200-E202 PolarHBondContact O-N 3.39Å; E202-I206 WeakPolarHBondContact O-CD1 3.23Å; E202-I206 WeakPolarHBondContact O-CG1 3.46Å |
| 203 | H | 65.3 | Low | 70.7 | Confident | 116 Ų | 116 | 103.9 Ų | 103.9 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -76.3 | -35.6 | 177.4 | -69.6 | -66.9 | 0 | 0 | 0 | 111.9 | P199 S200 A205 I206 E207 | P199-H203 HydrophobicContact CB-CB 4.23Å; S200-H203 PolarHBondContact O-N 3.44Å; H203-A205 PolarHBondContact O-N 3.27Å; H203-I206 PolarHBondContact O-N 3.41Å; H203-E207 PolarHBondContact O-N 3Å |
| 204 | Q | 65.8 | Low | 70.4 | Confident | 92 Ų | 92 | 105.5 Ų | 105.5 | 43% | 0.43 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.2 | -26.9 | 174.2 | -67 | -177 | 0.6 | 0 | 0 | 113.1 | P199 S200 | P199-Q204 HydrophobicContact CB-CG 3.94Å; P199-Q204 HydrophobicContact CG-CG 4.37Å; P199-Q204 WeakPolarHBondContact O-CG 3.46Å; P199-Q204 PolarHBondContact O-NE2 2.96Å; S200-Q204 PolarHBondContact O-N 2.83Å |
| 205 | A | 66.3 | Low | 70.4 | Confident | 87 Ų | 87 | 103.7 Ų | 103.7 | 72% | 0.719 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -78.2 | -24.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A201 H203 | A201-A205 PolarHBondContact O-N 2.89Å; H203-A205 PolarHBondContact O-N 3.27Å |
| 206 | I | 68.4 | Low | 70.4 | Confident | 139 Ų | 139 | 111.2 Ų | 111.2 | 71% | 0.713 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -95.9 | -42.6 | -176.5 | -61.5 | 167.4 | 0 | 0 | 0 | 110.7 | E202 H203 | E202-I206 WeakPolarHBondContact O-CD1 3.23Å; E202-I206 WeakPolarHBondContact O-CG1 3.46Å; H203-I206 PolarHBondContact O-N 3.41Å |
| 207 | E | 62.2 | Low | 70.7 | Confident | 135 Ų | 135 | 115.2 Ų | 115.2 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -114.4 | 117.8 | 176.7 | -70.3 | 179.6 | 172.7 | 0 | 0 | 108.5 | H203 S209 | H203-E207 PolarHBondContact O-N 3Å; E207-S209 PolarHBondContact O-N 2.81Å |
| 208 | S | 57.7 | Low | 70.9 | Confident | 125 Ų | 125 | 113.5 Ų | 113.5 | 87% | 0.874 | 62% | 0.616 | S | S | * | * | trans | -71.9 | 65.7 | 170.6 | 63.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 209 | S | 57.3 | Low | 71.9 | Confident | 60 Ų | 60 | 113.3 Ų | 113.3 | 42% | 0.42 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -83.3 | 125.1 | 178.7 | 58.2 | 0 | 0 | 0 | 0 | 109.3 | E207 | E207-S209 PolarHBondContact O-N 2.81Š|
| 210 | Q | 61.3 | Low | 72.7 | Confident | 187 Ų | 187 | 111.4 Ų | 111.4 | 87% | 0.874 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 139.6 | 171.9 | -70.4 | 177.6 | -8.2 | 0 | 0 | 108.6 | G212 | Q210-G212 PolarHBondContact O-N 3.05Š|
| 211 | A | 64.2 | Low | 73.1 | Confident | 74 Ų | 74 | 112.8 Ų | 112.8 | 61% | 0.612 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 134.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 212 | G | 67.6 | Low | 73.9 | Confident | 33 Ų | 33 | 113.1 Ų | 113.1 | 34% | 0.34 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 147.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N195 Q210 | N195-G212 PolarHBondContact O-N 2.9Å; Q210-G212 PolarHBondContact O-N 3.05Å |
| 213 | V | 75.4 | Confident | 74.6 | Confident | 122 Ų | 122 | 109.8 Ų | 109.8 | 74% | 0.739 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 135 | 172.6 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | T215 | V213-T215 WeakPolarHBondContact O-CG2 3.37Å; V213-T215 PolarHBondContact O-N 2.88Å |
| 214 | E | 77.8 | Confident | 75.5 | Confident | 148 Ų | 148 | 111.2 Ų | 111.2 | 69% | 0.692 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 118.8 | 173.3 | -169.7 | 174.5 | -172.6 | 0 | 0 | 109.7 | ||
| 215 | T | 84.8 | Confident | 76.6 | Confident | 67 Ų | 67 | 114 Ų | 114 | 41% | 0.411 | 60% | 0.604 | S | S | . | * | trans | -105.8 | 174.7 | 178.5 | 75.4 | 0 | 0 | 0 | 0 | 111.1 | F188 Q192 V213 | F188-T215 WeakPolarHBondContact CZ-OG1 3.4Å; Q192-T215 PolarHBondContact NE2-OG1 3.16Å; Q192-T215 PolarHBondContact OE1-OG1 3.17Å; V213-T215 WeakPolarHBondContact O-CG2 3.37Å; V213-T215 PolarHBondContact O-N 2.88Å | ||
| 216 | W | 83.8 | Confident | 77.6 | Confident | 240 Ų | 240 | 115.6 Ų | 115.6 | 91% | 0.909 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 139.7 | -179.5 | -63.9 | -6.9 | 0 | 0 | 0 | 111.7 | F188 Y218 | F188-W216 WeakPolarHBondContact CE1-O 3.45Å; F188-W216 WeakPolarHBondContact CZ-O 3.22Å; W216-Y218 PolarHBondContact O-N 3.39Å |
| 217 | K | 86.3 | Confident | 78.5 | Confident | 184 Ų | 184 | 119.4 Ų | 119.4 | 80% | 0.8 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 117.4 | 173.9 | -62.6 | -175.4 | -179.3 | -175 | 0 | 110 | ||
| 218 | Y | 86.8 | Confident | 79.6 | Confident | 93 Ų | 93 | 117.3 Ų | 117.3 | 37% | 0.365 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -75.3 | 131.6 | 170.3 | 176.4 | -95.1 | 0 | 0 | 0 | 109.3 | A184 E185 F188 W216 | A184-Y218 HydrophobicContact CB-CE1 4.35Å; E185-Y218 HydrophobicContact CB-CD1 3.96Å; E185-Y218 HydrophobicContact CB-CE1 3.93Å; E185-Y218 HydrophobicContact CG-CD1 4.22Å; F188-Y218 HydrophobicContact CB-CD1 4.39Å; F188-Y218 VanDerWaalsContact CD1-CB 3.43Å; F188-Y218 HydrophobicContact CG-CG 4.41Å; W216-Y218 PolarHBondContact O-N 3.39Å |
| 219 | K | 88.5 | Confident | 80.6 | Confident | 129 Ų | 129 | 119.6 Ų | 119.6 | 56% | 0.561 | 60% | 0.595 | S | S | * | * | trans | -127.8 | 132.2 | 169.4 | -69.8 | -165.3 | 170.6 | -165 | 0 | 109.6 | E185 K221 | E185-K219 VanDerWaalsContact OE1-CA 3.27Å; E185-K219 WeakPolarHBondContact OE1-CA 3.36Å; K219-K221 VanDerWaalsContact C-N 3.26Å; K219-K221 PolarHBondContact O-N 3.34Å | ||
| 220 | A | 87 | Confident | 81.2 | Confident | 13 Ų | 13 | 119.8 Ų | 119.8 | 11% | 0.107 | 61% | 0.606 | C | S | . | * | S | Bend | trans | -62.3 | -36 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L181 Y182 E185 | L181-A220 HydrophobicContact CB-CB 4.1Å; Y182-A220 HydrophobicContact CD1-CB 4.48Å; E185-A220 VanDerWaalsContact OE2-CB 3.27Å; E185-A220 WeakPolarHBondContact OE2-CB 3.45Å; E185-A220 PolarHBondContact OE2-N 2.78Å; E185-A220 VanDerWaalsContact OE2-N 3.12Å |
| 221 | K | 85.3 | Confident | 81.6 | Confident | 101 Ų | 101 | 116.9 Ų | 116.9 | 44% | 0.439 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -111.1 | 97.2 | 172.8 | -70.1 | -179.5 | 179 | 173.6 | 0 | 110.5 | Y182 K219 Y226 | Y182-K221 WeakPolarHBondContact OH-CE 3.44Å; Y182-K221 PolarHBondContact OH-NZ 2.85Å; K219-K221 VanDerWaalsContact C-N 3.26Å; K219-K221 PolarHBondContact O-N 3.34Å; K221-Y226 HydrophobicContact CB-CD2 4.13Å; K221-Y226 HydrophobicContact CB-CE2 4.47Å; K221-Y226 HydrophobicContact CG-CD2 4.36Å; K221-Y226 HydrophobicContact CG-CE2 4.33Å |
| 222 | N | 86.5 | Confident | 81.7 | Confident | 83 Ų | 83 | 117.1 Ų | 117.1 | 44% | 0.444 | 60% | 0.596 | S | S | . | * | trans | -90.9 | 143.5 | 178.4 | -174 | -13.3 | 0 | 0 | 0 | 112 | L224 M225 Y226 | N222-L224 PolarHBondContact O-N 2.88Å; N222-L224 PolarHBondContact OD1-N 3.1Å; N222-M225 PolarHBondContact O-N 2.88Å; N222-Y226 WeakPolarHBondContact O-CB 3.41Å; N222-Y226 WeakPolarHBondContact O-CD2 3.25Å; N222-Y226 PolarHBondContact O-N 3.2Å | ||
| 223 | S | 88.1 | Confident | 81.3 | Confident | 77 Ų | 77 | 123 Ų | 123 | 54% | 0.538 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.8 | -19.5 | 171.4 | -177 | 0 | 0 | 0 | 0 | 115.2 | Y226 | S223-Y226 CarbonylContact C-O 3.57Å; S223-Y226 WeakPolarHBondContact CA-O 3.45Å |
| 224 | L | 85.6 | Confident | 80.4 | Confident | 147 Ų | 147 | 121 Ų | 121 | 77% | 0.77 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -40.6 | 174.7 | 179.2 | 64.6 | 0 | 0 | 0 | 111.9 | N222 | N222-L224 PolarHBondContact O-N 2.88Å; N222-L224 PolarHBondContact OD1-N 3.1Å |
| 225 | M | 87.8 | Confident | 79.5 | Confident | 149 Ų | 149 | 118.4 Ų | 118.4 | 73% | 0.734 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -29.1 | -174.4 | -66.9 | -58.5 | -63.7 | 0 | 0 | 112.7 | N222 | N222-M225 PolarHBondContact O-N 2.88Š|
| 226 | Y | 88.2 | Confident | 78.1 | Confident | 122 Ų | 122 | 120.6 Ų | 120.6 | 48% | 0.478 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -114.2 | 153.7 | 179.9 | -61 | -84.1 | 0 | 0 | 0 | 109.7 | K221 N222 S223 | K221-Y226 HydrophobicContact CB-CD2 4.13Å; K221-Y226 HydrophobicContact CB-CE2 4.47Å; K221-Y226 HydrophobicContact CG-CD2 4.36Å; K221-Y226 HydrophobicContact CG-CE2 4.33Å; N222-Y226 WeakPolarHBondContact O-CB 3.41Å; N222-Y226 WeakPolarHBondContact O-CD2 3.25Å; N222-Y226 PolarHBondContact O-N 3.2Å; S223-Y226 CarbonylContact C-O 3.57Å; S223-Y226 WeakPolarHBondContact CA-O 3.45Å |
| 227 | Y | 87.6 | Confident | 76.9 | Confident | 219 Ų | 219 | 114.6 Ų | 114.6 | 86% | 0.859 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 133.3 | 170.7 | -63.2 | -74.6 | 0 | 0 | 0 | 109.1 | E229 | Y227-E229 PolarHBondContact O-N 2.99Š|
| 228 | P | 84.9 | Confident | 75.5 | Confident | 90 Ų | 90 | 114.3 Ų | 114.3 | 58% | 0.584 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 130.4 | 176.4 | 23.3 | -32 | 0 | 0 | 0 | 107.8 | G230 | P228-G230 PolarHBondContact O-N 2.92Å; P228-G230 VanDerWaalsContact O-N 3.16Å |
| 229 | E | 77.8 | Confident | 74.4 | Confident | 174 Ų | 174 | 116.1 Ų | 116.1 | 81% | 0.813 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 127.5 | 170.2 | -68.2 | -162.5 | 160 | 0 | 0 | 106.8 | Y227 | Y227-E229 PolarHBondContact O-N 2.99Š|
| 230 | G | 70.1 | Confident | 73.7 | Confident | 63 Ų | 63 | 116.8 Ų | 116.8 | 65% | 0.649 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 149.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | P228 P232 | P228-G230 PolarHBondContact O-N 2.92Å; P228-G230 VanDerWaalsContact O-N 3.16Å; G230-P232 VanDerWaalsContact O-CD 3.3Å; G230-P232 WeakPolarHBondContact O-CD 3.31Å |
| 231 | V | 70.1 | Confident | 73 | Confident | 126 Ų | 126 | 121.7 Ų | 121.7 | 76% | 0.764 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 118.9 | 173.2 | -178.4 | 0 | 0 | 0 | 0 | 105.8 | D233 | V231-D233 PolarHBondContact O-N 3.33Š|
| 232 | P | 65.2 | Low | 72.6 | Confident | 80 Ų | 80 | 128.6 Ų | 128.6 | 52% | 0.519 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -53 | 144.2 | 174.8 | 19.3 | -28.3 | 0 | 0 | 0 | 107.3 | G230 E234 | G230-P232 VanDerWaalsContact O-CD 3.3Å; G230-P232 WeakPolarHBondContact O-CD 3.31Å; P232-E234 HydrophobicContact CG-CG 4.16Å; P232-E234 WeakPolarHBondContact O-CG 3.38Å; P232-E234 PolarHBondContact O-N 2.9Å |
| 233 | D | 59.1 | Low | 72.2 | Confident | 157 Ų | 157 | 133 Ų | 133 | 84% | 0.84 | 66% | 0.664 | S | S | * | * | trans | -64.8 | 81 | 175.4 | -75.2 | -34.6 | 0 | 0 | 0 | 108.1 | V231 E235 | V231-D233 PolarHBondContact O-N 3.33Å; D233-E235 PolarHBondContact O-N 3.43Å | ||
| 234 | E | 58.3 | Low | 71.9 | Confident | 78 Ų | 78 | 133.6 Ų | 133.6 | 36% | 0.364 | 67% | 0.665 | S | S | . | * | trans | -73.8 | 67 | 172.1 | -70 | -81.1 | 174.1 | 0 | 0 | 105.4 | P232 Q236 L237 | P232-E234 HydrophobicContact CG-CG 4.16Å; P232-E234 WeakPolarHBondContact O-CG 3.38Å; P232-E234 PolarHBondContact O-N 2.9Å; E234-Q236 PolarHBondContact O-N 2.86Å; E234-L237 HydrophobicContact CB-CB 4.14Å; E234-L237 HydrophobicContact CB-CD1 3.52Å; E234-L237 HydrophobicContact CB-CG 3.76Å; E234-L237 HydrophobicContact CG-CD1 3.95Å; E234-L237 HydrophobicContact CG-CG 4.47Å; E234-L237 WeakPolarHBondContact O-CB 3.28Å; E234-L237 PolarHBondContact O-N 2.87Å | ||
| 235 | E | 57 | Low | 71.8 | Confident | 94 Ų | 94 | 130.4 Ų | 130.4 | 44% | 0.439 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -51.5 | -24 | 171 | -65.6 | -175.5 | 176 | 0 | 0 | 110.7 | D233 K239 | D233-E235 PolarHBondContact O-N 3.43Å; E235-K239 WeakPolarHBondContact O-CD 3.46Å; E235-K239 WeakPolarHBondContact O-CG 3.38Å; E235-K239 PolarHBondContact O-N 3.41Å; E235-K239 IonicContact OE2-NZ 3.64Å; E235-K239 PolarHBondContact OE2-NZ 2.89Å |
| 236 | Q | 57.1 | Low | 71.6 | Confident | 113 Ų | 113 | 125.5 Ų | 125.5 | 53% | 0.528 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69 | -27.8 | 175.1 | -57.6 | -174.8 | 15.3 | 0 | 0 | 113.9 | E234 | E234-Q236 PolarHBondContact O-N 2.86Å |
| 237 | L | 56.8 | Low | 71.4 | Confident | 114 Ų | 114 | 128.8 Ų | 128.8 | 60% | 0.597 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -71.9 | -34 | 177.2 | -76.5 | 172.2 | 0 | 0 | 0 | 111.8 | E234 | E234-L237 HydrophobicContact CB-CB 4.14Å; E234-L237 HydrophobicContact CB-CD1 3.52Å; E234-L237 HydrophobicContact CB-CG 3.76Å; E234-L237 HydrophobicContact CG-CD1 3.95Å; E234-L237 HydrophobicContact CG-CG 4.47Å; E234-L237 WeakPolarHBondContact O-CB 3.28Å; E234-L237 PolarHBondContact O-N 2.87Å |
| 238 | F | 57.5 | Low | 71.4 | Confident | 178 Ų | 178 | 125 Ų | 125 | 78% | 0.781 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -86.3 | -21.1 | 178.7 | -64.4 | -73.8 | 0 | 0 | 0 | 113.8 | K240 | F238-K240 VanDerWaalsContact C-N 3.31Å |
| 239 | K | 64.4 | Low | 71.4 | Confident | 131 Ų | 131 | 123.6 Ų | 123.6 | 57% | 0.57 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.4 | -21.3 | 174.4 | -73.5 | 166.8 | -168.6 | 170.1 | 0 | 113 | E235 | E235-K239 WeakPolarHBondContact O-CD 3.46Å; E235-K239 WeakPolarHBondContact O-CG 3.38Å; E235-K239 PolarHBondContact O-N 3.41Å; E235-K239 IonicContact OE2-NZ 3.64Å; E235-K239 PolarHBondContact OE2-NZ 2.89Å |
| 240 | K | 72.7 | Confident | 71.7 | Confident | 143 Ų | 143 | 126.9 Ų | 126.9 | 62% | 0.622 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -82.1 | 132.5 | 176.2 | -69.6 | 175.3 | -174.6 | 170.2 | 0 | 110 | F238 R242 | F238-K240 VanDerWaalsContact C-N 3.31Å; K240-R242 PolarHBondContact O-N 2.88Å |
| 241 | P | 73.3 | Confident | 72.2 | Confident | 117 Ų | 117 | 129.8 Ų | 129.8 | 76% | 0.76 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 133.5 | 174.7 | 24.9 | -32.9 | 0 | 0 | 0 | 109.2 | Q243 | P241-Q243 PolarHBondContact O-N 2.85Å; P241-Q243 VanDerWaalsContact O-N 3.08Å |
| 242 | R | 77.1 | Confident | 72.8 | Confident | 246 Ų | 246 | 131.3 Ų | 131.3 | 93% | 0.928 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 118.3 | 179.2 | -66.2 | -179.4 | 178.1 | -179 | -0 | 108.9 | K240 | K240-R242 PolarHBondContact O-N 2.88Š|
| 243 | Q | 77.9 | Confident | 73.6 | Confident | 174 Ų | 174 | 137.7 Ų | 137.7 | 81% | 0.813 | 64% | 0.644 | S | S | * | * | trans | -116.7 | 135.2 | -179.3 | -169.6 | 177.3 | 29.6 | 0 | 0 | 110.5 | P241 V245 | P241-Q243 PolarHBondContact O-N 2.85Å; P241-Q243 VanDerWaalsContact O-N 3.08Å; Q243-V245 PolarHBondContact O-N 3.35Å | ||
| 244 | V | 81.9 | Confident | 74.6 | Confident | 90 Ų | 90 | 133.2 Ų | 133.2 | 55% | 0.545 | 62% | 0.62 | S | S | . | * | trans | -75.1 | 114.7 | 173.4 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | H246 T249 | V244-H246 PolarHBondContact O-N 3.45Å; V244-H246 VanDerWaalsContact O-N 3.14Å; V244-H246 PolarHBondContact O-ND1 3.38Å; V244-T249 HydrophobicContact CG1-CG2 4.32Å | ||
| 245 | V | 84 | Confident | 75.6 | Confident | 80 Ų | 80 | 133.3 Ų | 133.3 | 49% | 0.485 | 63% | 0.628 | S | S | . | * | trans | -79.8 | 93.3 | 171.7 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | Q243 K247 N248 | Q243-V245 PolarHBondContact O-N 3.35Å; V245-K247 HydrophobicContact CG1-CB 4.21Å; V245-K247 PolarHBondContact O-N 2.97Å; V245-K247 VanDerWaalsContact O-N 3.14Å; V245-N248 PolarHBondContact O-N 3.27Å | ||
| 246 | H | 82.4 | Confident | 76.7 | Confident | 47 Ų | 47 | 136.4 Ų | 136.4 | 22% | 0.218 | 64% | 0.64 | C | S | . | * | G | 310 helix | trans | -60.6 | -22.4 | -176.7 | -72.6 | 81.6 | 0 | 0 | 0 | 114.1 | V244 N248 T249 F251 R253 D254 | V244-H246 PolarHBondContact O-N 3.45Å; V244-H246 VanDerWaalsContact O-N 3.14Å; V244-H246 PolarHBondContact O-ND1 3.38Å; H246-N248 PolarHBondContact O-N 2.91Å; H246-T249 PolarHBondContact O-N 3.44Å; H246-T249 VanDerWaalsContact O-N 3.1Å; H246-T249 PolarHBondContact O-OG1 2.9Å; H246-F251 WeakPolarHBondContact CB-O 3.3Å; H246-F251 VanDerWaalsContact O-O 3.06Å; H246-R253 VanDerWaalsContact CD2-C 3.49Å; H246-D254 WeakPolarHBondContact NE2-CA 3.36Å; H246-D254 PolarHBondContact NE2-N 2.62Å |
| 247 | K | 84.3 | Confident | 77.8 | Confident | 191 Ų | 191 | 134 Ų | 134 | 83% | 0.83 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -61.9 | -25.6 | 173.3 | -61.7 | -177.4 | -179.8 | -179.6 | 0 | 113.2 | V245 | V245-K247 HydrophobicContact CG1-CB 4.21Å; V245-K247 PolarHBondContact O-N 2.97Å; V245-K247 VanDerWaalsContact O-N 3.14Å |
| 248 | N | 86.6 | Confident | 78.9 | Confident | 140 Ų | 140 | 133.6 Ų | 133.6 | 75% | 0.749 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -96.1 | 4.2 | 179.8 | -62.5 | -6.4 | 0 | 0 | 0 | 112.2 | V245 H246 | V245-N248 PolarHBondContact O-N 3.27Å; H246-N248 PolarHBondContact O-N 2.91Å |
| 249 | T | 85 | Confident | 80.1 | Confident | 60 Ų | 60 | 128.6 Ų | 128.6 | 37% | 0.368 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -118.3 | 167.3 | 176.9 | 74.6 | 0 | 0 | 0 | 0 | 109.7 | V244 H246 F251 | V244-T249 HydrophobicContact CG1-CG2 4.32Å; H246-T249 PolarHBondContact O-N 3.44Å; H246-T249 VanDerWaalsContact O-N 3.1Å; H246-T249 PolarHBondContact O-OG1 2.9Å; T249-F251 PolarHBondContact O-N 2.91Å; T249-F251 PolarHBondContact OG1-N 3.27Å; T249-F251 PolarHBondContact OG1-O 3.43Å |
| 250 | R | 84.8 | Confident | 81 | Confident | 242 Ų | 242 | 127.6 Ų | 127.6 | 91% | 0.913 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -66 | -16.7 | 175.6 | -175.6 | 175.1 | 167.1 | -174.9 | -3.4 | 112.7 | ||
| 251 | F | 81 | Confident | 81.6 | Confident | 125 Ų | 125 | 123.8 Ų | 123.8 | 55% | 0.548 | 61% | 0.614 | S | S | . | * | trans | -98.5 | 113.2 | -177.9 | -62.4 | -73.5 | 0 | 0 | 0 | 110.1 | H246 T249 R253 P255 | H246-F251 WeakPolarHBondContact CB-O 3.3Å; H246-F251 VanDerWaalsContact O-O 3.06Å; T249-F251 PolarHBondContact O-N 2.91Å; T249-F251 PolarHBondContact OG1-N 3.27Å; T249-F251 PolarHBondContact OG1-O 3.43Å; F251-R253 PolarHBondContact O-N 2.79Å; F251-P255 HydrophobicContact CD1-CG 4.5Å | ||
| 252 | L | 82.4 | Confident | 82.2 | Confident | 158 Ų | 158 | 126.3 Ų | 126.3 | 83% | 0.827 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -67.6 | -19.8 | -178.8 | -65.3 | 172.6 | 0 | 0 | 0 | 113.7 | ||
| 253 | R | 81.1 | Confident | 82.6 | Confident | 214 Ų | 214 | 118.2 Ų | 118.2 | 81% | 0.808 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -146.2 | 161.4 | 177.6 | -64 | -171.3 | 178.5 | 176.2 | -0.5 | 109.1 | H246 F251 P255 | H246-R253 VanDerWaalsContact CD2-C 3.49Å; F251-R253 PolarHBondContact O-N 2.79Å; R253-P255 VanDerWaalsContact O-CD 3.3Å; R253-P255 WeakPolarHBondContact O-CD 3.38Å |
| 254 | D | 80.8 | Confident | 83.2 | Confident | 63 Ų | 63 | 116.1 Ų | 116.1 | 34% | 0.337 | 58% | 0.579 | S | S | . | * | trans | -62 | 115.9 | 173.9 | -167.4 | -12.1 | 0 | 0 | 0 | 109 | H246 F256 Q258 | H246-D254 WeakPolarHBondContact NE2-CA 3.36Å; H246-D254 PolarHBondContact NE2-N 2.62Å; D254-F256 PolarHBondContact O-N 2.88Å; D254-F256 PolarHBondContact OD1-N 2.95Å; D254-F256 VanDerWaalsContact OD1-N 3.08Å; D254-Q258 PolarHBondContact OD2-NE2 3.18Å | ||
| 255 | P | 80.4 | Confident | 83.4 | Confident | 80 Ų | 80 | 118.4 Ų | 118.4 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -71.3 | -15.7 | 179.4 | 29.3 | -33.6 | 0 | 0 | 0 | 112 | F251 R253 | F251-P255 HydrophobicContact CD1-CG 4.5Å; R253-P255 VanDerWaalsContact O-CD 3.3Å; R253-P255 WeakPolarHBondContact O-CD 3.38Å |
| 256 | F | 78.8 | Confident | 83.6 | Confident | 159 Ų | 159 | 121.6 Ų | 121.6 | 70% | 0.697 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -99 | 122.8 | 177.9 | -57.4 | -74.5 | 0 | 0 | 0 | 109.8 | D254 Q258 | D254-F256 PolarHBondContact O-N 2.88Å; D254-F256 PolarHBondContact OD1-N 2.95Å; D254-F256 VanDerWaalsContact OD1-N 3.08Å; F256-Q258 PolarHBondContact O-N 2.86Å; F256-Q258 VanDerWaalsContact O-N 3.09Å |
| 257 | S | 80.8 | Confident | 84 | Confident | 62 Ų | 62 | 126 Ų | 126 | 43% | 0.434 | 62% | 0.617 | S | S | . | * | trans | -70.6 | 109.5 | 175.1 | 60.8 | 0 | 0 | 0 | 0 | 109.9 | A259 L260 S261 | S257-A259 PolarHBondContact O-N 3.07Å; S257-A259 VanDerWaalsContact O-N 3.1Å; S257-L260 PolarHBondContact O-N 3.15Å; S257-L260 VanDerWaalsContact OG-CB 3.27Å; S257-L260 WeakPolarHBondContact OG-CB 2.98Å; S257-L260 WeakPolarHBondContact OG-CD1 3.3Å; S257-L260 WeakPolarHBondContact OG-CG 3.35Å; S257-S261 PolarHBondContact O-N 2.68Å | ||
| 258 | Q | 79.8 | Confident | 84 | Confident | 105 Ų | 105 | 119.2 Ų | 119.2 | 49% | 0.491 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -57 | -27.4 | 178.3 | -65.9 | 175.4 | 14.8 | 0 | 0 | 112.9 | D254 F256 S261 R262 | D254-Q258 PolarHBondContact OD2-NE2 3.18Å; F256-Q258 PolarHBondContact O-N 2.86Å; F256-Q258 VanDerWaalsContact O-N 3.09Å; Q258-S261 PolarHBondContact O-OG 2.97Å; Q258-R262 WeakPolarHBondContact O-CB 3.37Å; Q258-R262 VanDerWaalsContact O-CG 3.23Å; Q258-R262 WeakPolarHBondContact O-CG 3.3Å; Q258-R262 PolarHBondContact O-N 3.29Å |
| 259 | A | 82.4 | Confident | 84 | Confident | 73 Ų | 73 | 115.2 Ų | 115.2 | 60% | 0.603 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.3 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S257 R262 C263 | S257-A259 PolarHBondContact O-N 3.07Å; S257-A259 VanDerWaalsContact O-N 3.1Å; A259-R262 PolarHBondContact O-N 3.36Å; A259-C263 WeakPolarHBondContact O-CB 3.34Å; A259-C263 PolarHBondContact O-N 2.87Å |
| 260 | L | 84.3 | Confident | 84 | Confident | 111 Ų | 111 | 114.8 Ų | 114.8 | 58% | 0.581 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.1 | -39.4 | 177.6 | -62.7 | -178.5 | 0 | 0 | 0 | 111.3 | S257 R262 C263 Q264 | S257-L260 PolarHBondContact O-N 3.15Å; S257-L260 VanDerWaalsContact OG-CB 3.27Å; S257-L260 WeakPolarHBondContact OG-CB 2.98Å; S257-L260 WeakPolarHBondContact OG-CD1 3.3Å; S257-L260 WeakPolarHBondContact OG-CG 3.35Å; L260-R262 PolarHBondContact O-N 2.95Å; L260-C263 PolarHBondContact O-N 2.94Å; L260-Q264 WeakPolarHBondContact O-CB 3.35Å; L260-Q264 WeakPolarHBondContact O-CG 3.34Å; L260-Q264 PolarHBondContact O-N 3.37Å |
| 261 | S | 85 | Confident | 84 | Confident | 63 Ų | 63 | 108.3 Ų | 108.3 | 44% | 0.441 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.1 | -41.6 | 177.5 | 89.8 | 0 | 0 | 0 | 0 | 111.5 | S257 Q258 Q264 L265 | S257-S261 PolarHBondContact O-N 2.68Å; Q258-S261 PolarHBondContact O-OG 2.97Å; S261-Q264 PolarHBondContact O-N 3.4Å; S261-L265 WeakPolarHBondContact O-CB 3.38Å; S261-L265 PolarHBondContact O-N 3.42Å |
| 262 | R | 85.1 | Confident | 83.9 | Confident | 170 Ų | 170 | 106.9 Ų | 106.9 | 64% | 0.642 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.3 | -44.1 | 174.6 | -76.4 | 176.3 | -178.6 | 161.9 | 3.2 | 112 | Q258 A259 L260 L265 Q266 | Q258-R262 WeakPolarHBondContact O-CB 3.37Å; Q258-R262 VanDerWaalsContact O-CG 3.23Å; Q258-R262 WeakPolarHBondContact O-CG 3.3Å; Q258-R262 PolarHBondContact O-N 3.29Å; A259-R262 PolarHBondContact O-N 3.36Å; L260-R262 PolarHBondContact O-N 2.95Å; R262-L265 PolarHBondContact O-N 3.29Å; R262-Q266 WeakPolarHBondContact O-CB 3.21Å; R262-Q266 PolarHBondContact O-N 3.18Å |
| 263 | C | 86.4 | Confident | 83.6 | Confident | 75 Ų | 75 | 101.1 Ų | 101.1 | 51% | 0.507 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 177.8 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | A259 L260 Q266 Q267 | A259-C263 WeakPolarHBondContact O-CB 3.34Å; A259-C263 PolarHBondContact O-N 2.87Å; L260-C263 PolarHBondContact O-N 2.94Å; C263-Q266 PolarHBondContact O-N 3.3Å; C263-Q267 WeakPolarHBondContact O-CB 3.45Å; C263-Q267 PolarHBondContact O-N 2.66Å |
| 264 | Q | 89.3 | Confident | 83.3 | Confident | 130 Ų | 130 | 96.9 Ų | 96.9 | 61% | 0.607 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.2 | -41.9 | 175.8 | -74.3 | 176.4 | -1.2 | 0 | 0 | 112.2 | L260 S261 Q266 Q267 A268 | L260-Q264 WeakPolarHBondContact O-CB 3.35Å; L260-Q264 WeakPolarHBondContact O-CG 3.34Å; L260-Q264 PolarHBondContact O-N 3.37Å; S261-Q264 PolarHBondContact O-N 3.4Å; Q264-Q266 VanDerWaalsContact C-N 3.33Å; Q264-Q266 PolarHBondContact O-N 3.22Å; Q264-Q267 PolarHBondContact O-N 3.32Å; Q264-A268 WeakPolarHBondContact O-CB 3.39Å; Q264-A268 PolarHBondContact O-N 2.84Å |
| 265 | L | 86.2 | Confident | 82.8 | Confident | 138 Ų | 138 | 99.7 Ų | 99.7 | 72% | 0.723 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 176.9 | -143.7 | 93.1 | 0 | 0 | 0 | 111.2 | S261 R262 A268 A269 | S261-L265 WeakPolarHBondContact O-CB 3.38Å; S261-L265 PolarHBondContact O-N 3.42Å; R262-L265 PolarHBondContact O-N 3.29Å; L265-A268 PolarHBondContact O-N 2.98Å; L265-A269 VanDerWaalsContact O-CB 3.28Å; L265-A269 WeakPolarHBondContact O-CB 3.32Å; L265-A269 PolarHBondContact O-N 2.94Å |
| 266 | Q | 89.4 | Confident | 82 | Confident | 147 Ų | 147 | 101.4 Ų | 101.4 | 69% | 0.687 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.8 | -40.3 | 177.7 | -171.8 | 173.2 | 9.3 | 0 | 0 | 111.8 | R262 C263 Q264 A269 A270 | R262-Q266 WeakPolarHBondContact O-CB 3.21Å; R262-Q266 PolarHBondContact O-N 3.18Å; C263-Q266 PolarHBondContact O-N 3.3Å; Q264-Q266 VanDerWaalsContact C-N 3.33Å; Q264-Q266 PolarHBondContact O-N 3.22Å; Q266-A269 PolarHBondContact O-N 3.42Å; Q266-A270 WeakPolarHBondContact O-CB 3.33Å; Q266-A270 PolarHBondContact O-N 3.42Å |
| 267 | Q | 89.9 | Confident | 81.2 | Confident | 139 Ų | 139 | 98 Ų | 98 | 65% | 0.65 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.1 | -44.2 | 175.3 | -172.2 | 176.3 | 32.1 | 0 | 0 | 111.4 | C263 Q264 A270 L271 | C263-Q267 WeakPolarHBondContact O-CB 3.45Å; C263-Q267 PolarHBondContact O-N 2.66Å; Q264-Q267 PolarHBondContact O-N 3.32Å; Q267-A270 PolarHBondContact O-N 2.95Å; Q267-L271 WeakPolarHBondContact O-CB 3.46Å; Q267-L271 PolarHBondContact O-N 3.2Å |
| 268 | A | 85.3 | Confident | 80.2 | Confident | 49 Ų | 49 | 97.5 Ų | 97.5 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q264 L265 L271 N272 | Q264-A268 WeakPolarHBondContact O-CB 3.39Å; Q264-A268 PolarHBondContact O-N 2.84Å; L265-A268 PolarHBondContact O-N 2.98Å; A268-L271 PolarHBondContact O-N 3.44Å; A268-N272 VanDerWaalsContact O-CB 3.31Å; A268-N272 WeakPolarHBondContact O-CB 3.49Å; A268-N272 VanDerWaalsContact O-CG 3.26Å; A268-N272 PolarHBondContact O-N 3.3Å; A268-N272 PolarHBondContact O-ND2 2.86Å |
| 269 | A | 85.8 | Confident | 79.3 | Confident | 57 Ų | 57 | 97.6 Ų | 97.6 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L265 Q266 N272 A273 | L265-A269 VanDerWaalsContact O-CB 3.28Å; L265-A269 WeakPolarHBondContact O-CB 3.32Å; L265-A269 PolarHBondContact O-N 2.94Å; Q266-A269 PolarHBondContact O-N 3.42Å; A269-N272 PolarHBondContact O-N 3.17Å; A269-A273 VanDerWaalsContact O-CB 3.3Å; A269-A273 WeakPolarHBondContact O-CB 3.41Å; A269-A273 PolarHBondContact O-N 3.16Å |
| 270 | A | 85.4 | Confident | 78.1 | Confident | 50 Ų | 50 | 98.1 Ų | 98.1 | 41% | 0.413 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q266 Q267 A273 Q274 | Q266-A270 WeakPolarHBondContact O-CB 3.33Å; Q266-A270 PolarHBondContact O-N 3.42Å; Q267-A270 PolarHBondContact O-N 2.95Å; A270-A273 PolarHBondContact O-N 2.85Å; A270-Q274 WeakPolarHBondContact O-CG 3.27Å; A270-Q274 PolarHBondContact O-N 3.41Å |
| 271 | L | 83.9 | Confident | 77.3 | Confident | 107 Ų | 107 | 93.7 Ų | 93.7 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.2 | -43.1 | 176.6 | -146.4 | -172.9 | 0 | 0 | 0 | 111.2 | Q267 A268 A273 Q274 H275 | Q267-L271 WeakPolarHBondContact O-CB 3.46Å; Q267-L271 PolarHBondContact O-N 3.2Å; A268-L271 PolarHBondContact O-N 3.44Å; L271-A273 VanDerWaalsContact C-N 3.33Å; L271-A273 PolarHBondContact O-N 2.95Å; L271-Q274 WeakPolarHBondContact O-CB 3.4Å; L271-Q274 PolarHBondContact O-N 2.96Å; L271-H275 WeakPolarHBondContact O-CB 3.45Å; L271-H275 PolarHBondContact O-N 2.85Å |
| 272 | N | 80.4 | Confident | 75.7 | Confident | 94 Ų | 94 | 97.4 Ų | 97.4 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 174.7 | -77.1 | -31.2 | 0 | 0 | 0 | 112 | A268 A269 H275 K276 | A268-N272 VanDerWaalsContact O-CB 3.31Å; A268-N272 WeakPolarHBondContact O-CB 3.49Å; A268-N272 VanDerWaalsContact O-CG 3.26Å; A268-N272 PolarHBondContact O-N 3.3Å; A268-N272 PolarHBondContact O-ND2 2.86Å; A269-N272 PolarHBondContact O-N 3.17Å; N272-H275 PolarHBondContact O-N 3.43Å; N272-K276 WeakPolarHBondContact O-CB 3.32Å; N272-K276 VanDerWaalsContact O-CG 3.27Å; N272-K276 WeakPolarHBondContact O-CG 3.34Å; N272-K276 PolarHBondContact O-N 3.42Å |
| 273 | A | 75.1 | Confident | 74.3 | Confident | 38 Ų | 38 | 96.1 Ų | 96.1 | 31% | 0.314 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A269 A270 L271 H275 K276 Q277 I288 | A269-A273 VanDerWaalsContact O-CB 3.3Å; A269-A273 WeakPolarHBondContact O-CB 3.41Å; A269-A273 PolarHBondContact O-N 3.16Å; A270-A273 PolarHBondContact O-N 2.85Å; L271-A273 VanDerWaalsContact C-N 3.33Å; L271-A273 PolarHBondContact O-N 2.95Å; A273-H275 PolarHBondContact O-N 3.25Å; A273-K276 CarbonylContact O-C 3.58Å; A273-K276 PolarHBondContact O-N 2.92Å; A273-Q277 WeakPolarHBondContact O-CG 3.31Å; A273-Q277 PolarHBondContact O-N 2.88Å; A273-Q277 VanDerWaalsContact O-N 3.12Å; A273-I288 HydrophobicContact CB-CD1 4.43Å; A273-I288 WeakPolarHBondContact O-CD1 3.41Å |
| 274 | Q | 75.1 | Confident | 72.9 | Confident | 124 Ų | 124 | 95.4 Ų | 95.4 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59 | -42.9 | 173.3 | -73.8 | 179.2 | 1.6 | 0 | 0 | 112.6 | A270 L271 K276 Q277 | A270-Q274 WeakPolarHBondContact O-CG 3.27Å; A270-Q274 PolarHBondContact O-N 3.41Å; L271-Q274 WeakPolarHBondContact O-CB 3.4Å; L271-Q274 PolarHBondContact O-N 2.96Å; Q274-K276 PolarHBondContact O-N 3.37Å; Q274-Q277 VanDerWaalsContact O-CB 3.23Å; Q274-Q277 WeakPolarHBondContact O-CB 3.19Å; Q274-Q277 PolarHBondContact O-N 3.28Å |
| 275 | H | 69 | Low | 71.5 | Confident | 123 Ų | 123 | 97 Ų | 97 | 57% | 0.569 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.8 | -17.8 | 178.9 | -168.5 | -123.3 | 0 | 0 | 0 | 113.6 | L271 N272 A273 K279 | L271-H275 WeakPolarHBondContact O-CB 3.45Å; L271-H275 PolarHBondContact O-N 2.85Å; N272-H275 PolarHBondContact O-N 3.43Å; A273-H275 PolarHBondContact O-N 3.25Å; H275-K279 VanDerWaalsContact O-CE 3.22Å; H275-K279 WeakPolarHBondContact O-CE 3.13Å |
| 276 | K | 64.7 | Low | 70.2 | Confident | 116 Ų | 116 | 95.2 Ų | 95.2 | 50% | 0.504 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -90.3 | -7.7 | 170.4 | -70.6 | 176.2 | -179.2 | -173.1 | 0 | 112.4 | N272 A273 Q274 G278 K279 I288 | N272-K276 WeakPolarHBondContact O-CB 3.32Å; N272-K276 VanDerWaalsContact O-CG 3.27Å; N272-K276 WeakPolarHBondContact O-CG 3.34Å; N272-K276 PolarHBondContact O-N 3.42Å; A273-K276 CarbonylContact O-C 3.58Å; A273-K276 PolarHBondContact O-N 2.92Å; Q274-K276 PolarHBondContact O-N 3.37Å; K276-G278 PolarHBondContact O-N 3.08Å; K276-K279 PolarHBondContact O-N 3.08Å; K276-I288 HydrophobicContact CB-CD1 3.97Å |
| 277 | Q | 61.3 | Low | 68.7 | Low | 88 Ų | 88 | 93.5 Ų | 93.5 | 41% | 0.411 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 133.7 | 172.4 | -64 | -179.3 | 14.2 | 0 | 0 | 109.7 | A273 Q274 K279 | A273-Q277 WeakPolarHBondContact O-CG 3.31Å; A273-Q277 PolarHBondContact O-N 2.88Å; A273-Q277 VanDerWaalsContact O-N 3.12Å; Q274-Q277 VanDerWaalsContact O-CB 3.23Å; Q274-Q277 WeakPolarHBondContact O-CB 3.19Å; Q274-Q277 PolarHBondContact O-N 3.28Å; Q277-K279 PolarHBondContact O-N 2.87Å |
| 278 | G | 60.4 | Low | 67.3 | Low | 51 Ų | 51 | 89.8 Ų | 89.8 | 53% | 0.526 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | -2.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K276 V280 | K276-G278 PolarHBondContact O-N 3.08Å; G278-V280 PolarHBondContact O-N 3.19Å |
| 279 | K | 61.8 | Low | 65.9 | Low | 106 Ų | 106 | 92.2 Ų | 92.2 | 46% | 0.461 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 118.7 | 170.4 | -69.6 | -170.7 | 180 | 178 | 0 | 109.5 | H275 K276 Q277 L287 | H275-K279 VanDerWaalsContact O-CE 3.22Å; H275-K279 WeakPolarHBondContact O-CE 3.13Å; K276-K279 PolarHBondContact O-N 3.08Å; Q277-K279 PolarHBondContact O-N 2.87Å; K279-L287 WeakPolarHBondContact O-CD1 3.42Å; K279-L287 PolarHBondContact O-N 3.45Å; K279-L287 VanDerWaalsContact O-N 3.14Å |
| 280 | V | 56.4 | Low | 64.6 | Low | 85 Ų | 85 | 96 Ų | 96 | 52% | 0.515 | 53% | 0.533 | S | S | . | . | B | Isolated β-bridge | trans | -88.2 | 126.2 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 108 | G278 G284 E286 | G278-V280 PolarHBondContact O-N 3.19Å; V280-G284 VanDerWaalsContact CG1-CA 3.44Å; V280-G284 WeakPolarHBondContact CG1-O 3.29Å; V280-E286 HydrophobicContact CG2-CG 4.15Å |
| 281 | G | 66.5 | Low | 63.3 | Low | 17 Ų | 17 | 100.2 Ų | 100.2 | 18% | 0.175 | 54% | 0.544 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 172.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | D283 G284 K285 | G281-D283 PolarHBondContact O-N 3.12Å; G281-G284 PolarHBondContact O-N 3.25Å; G281-K285 PolarHBondContact N-O 3.47Å |
| 282 | P | 52.9 | Low | 62.2 | Low | 141 Ų | 141 | 97 Ų | 97 | 92% | 0.916 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -20.1 | 176.7 | 24.1 | -33.5 | 0 | 0 | 0 | 113.5 | G284 | P282-G284 VanDerWaalsContact C-N 3.28Å; P282-G284 PolarHBondContact O-N 3.35Å |
| 283 | D | 54.9 | Low | 61.5 | Low | 144 Ų | 144 | 97.4 Ų | 97.4 | 77% | 0.77 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 3.6 | 174.5 | -64.9 | -23 | 0 | 0 | 0 | 114.4 | G281 K285 | G281-D283 PolarHBondContact O-N 3.12Å; D283-K285 PolarHBondContact O-N 3.34Å |
| 284 | G | 57.8 | Low | 61 | Low | 59 Ų | 59 | 102.9 Ų | 102.9 | 61% | 0.608 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 73.6 | 10 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V280 G281 P282 | V280-G284 VanDerWaalsContact CG1-CA 3.44Å; V280-G284 WeakPolarHBondContact CG1-O 3.29Å; G281-G284 PolarHBondContact O-N 3.25Å; P282-G284 VanDerWaalsContact C-N 3.28Å; P282-G284 PolarHBondContact O-N 3.35Å |
| 285 | K | 58.3 | Low | 60.1 | Low | 163 Ų | 163 | 101.9 Ų | 101.9 | 71% | 0.709 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -110.8 | 143.4 | 177.5 | -63.9 | 177.7 | -175.6 | 171.4 | 0 | 111.4 | G281 D283 | G281-K285 PolarHBondContact N-O 3.47Å; D283-K285 PolarHBondContact O-N 3.34Å |
| 286 | E | 60.6 | Low | 59.8 | Low | 101 Ų | 101 | 99.4 Ų | 99.4 | 47% | 0.472 | 56% | 0.561 | S | S | . | * | B | Isolated β-bridge | trans | -64.2 | 132.2 | 175.2 | -65.8 | 179.7 | -179.3 | 0 | 0 | 110.6 | V280 I288 | V280-E286 HydrophobicContact CG2-CG 4.15Å; E286-I288 PolarHBondContact O-N 2.79Å |
| 287 | L | 58 | Low | 60.1 | Low | 111 Ų | 111 | 96.5 Ų | 96.5 | 58% | 0.581 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -67.6 | -20.8 | -179.5 | -86.4 | 93.1 | 0 | 0 | 0 | 113.5 | K279 | K279-L287 WeakPolarHBondContact O-CD1 3.42Å; K279-L287 PolarHBondContact O-N 3.45Å; K279-L287 VanDerWaalsContact O-N 3.14Å |
| 288 | I | 58.5 | Low | 60.3 | Low | 61 Ų | 61 | 100.3 Ų | 100.3 | 31% | 0.313 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -135.4 | 102.3 | 178.8 | -54.6 | 172.4 | 0 | 0 | 0 | 107.8 | A273 K276 E286 Q290 | A273-I288 HydrophobicContact CB-CD1 4.43Å; A273-I288 WeakPolarHBondContact O-CD1 3.41Å; K276-I288 HydrophobicContact CB-CD1 3.97Å; E286-I288 PolarHBondContact O-N 2.79Å; I288-Q290 PolarHBondContact O-N 3.43Å |
| 289 | P | 56.5 | Low | 60.9 | Low | 100 Ų | 100 | 99.8 Ų | 99.8 | 65% | 0.649 | 57% | 0.574 | S | S | * | * | trans | -65.3 | 123.4 | -178.4 | -19.6 | 31.1 | 0 | 0 | 0 | 111.6 | E291 | P289-E291 PolarHBondContact O-N 3.04Š| ||
| 290 | Q | 58.5 | Low | 61.2 | Low | 136 Ų | 136 | 100.9 Ų | 100.9 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | trans | -76.2 | 92.4 | 165.8 | -77.5 | -86.7 | -25.3 | 0 | 0 | 109.1 | I288 S292 | I288-Q290 PolarHBondContact O-N 3.43Å; Q290-S292 PolarHBondContact O-N 3.46Å | ||
| 291 | E | 58.6 | Low | 61.5 | Low | 139 Ų | 139 | 103.5 Ų | 103.5 | 65% | 0.65 | 59% | 0.594 | S | S | * | * | trans | -79.2 | 103.4 | 166 | -69.4 | -157.2 | 141.4 | 0 | 0 | 109.5 | P289 R294 | P289-E291 PolarHBondContact O-N 3.04Å; E291-R294 IonicContact OE1-CZ 2.66Å; E291-R294 IonicContact OE1-NE 3.78Å; E291-R294 IonicContact OE1-NH2 2.72Å; E291-R294 PolarHBondContact OE1-NH2 2.79Å | ||
| 292 | S | 61.3 | Low | 61.2 | Low | 40 Ų | 40 | 107 Ų | 107 | 28% | 0.28 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 149.2 | 168.2 | 58.3 | 0 | 0 | 0 | 0 | 110.1 | Q290 R294 F300 | Q290-S292 PolarHBondContact O-N 3.46Å; S292-R294 PolarHBondContact O-N 2.89Å; S292-R294 VanDerWaalsContact O-N 3.07Å; S292-F300 PolarHBondContact OG-N 3.43Å; S292-F300 PolarHBondContact OG-O 3.08Å |
| 293 | P | 64.4 | Low | 61.3 | Low | 102 Ų | 102 | 106.3 Ų | 106.3 | 66% | 0.662 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 119.7 | -178.9 | -23.1 | 31.1 | 0 | 0 | 0 | 110.6 | F300 | P293-F300 WeakPolarHBondContact O-CD2 3.48Å; P293-F300 WeakPolarHBondContact O-CE2 3.41Å |
| 294 | R | 64.8 | Low | 61.4 | Low | 153 Ų | 153 | 105.5 Ų | 105.5 | 58% | 0.577 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 122.3 | -177.1 | -61.8 | 177 | -177.3 | -125.1 | 6.9 | 109.4 | E291 S292 | E291-R294 IonicContact OE1-CZ 2.66Å; E291-R294 IonicContact OE1-NE 3.78Å; E291-R294 IonicContact OE1-NH2 2.72Å; E291-R294 PolarHBondContact OE1-NH2 2.79Å; S292-R294 PolarHBondContact O-N 2.89Å; S292-R294 VanDerWaalsContact O-N 3.07Å |
| 295 | V | 56 | Low | 61 | Low | 103 Ų | 103 | 106.8 Ų | 106.8 | 62% | 0.624 | 62% | 0.617 | S | S | * | * | B | Isolated β-bridge | trans | -108.7 | 116.8 | 170.5 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | G297 F298 F300 | V295-G297 VanDerWaalsContact C-N 3.33Å; V295-G297 PolarHBondContact O-N 3.25Å; V295-F298 PolarHBondContact N-O 2.78Å; V295-F298 PolarHBondContact O-N 3.03Å; V295-F300 HydrophobicContact CB-CZ 4.39Å; V295-F300 HydrophobicContact CG2-CE2 3.86Å; V295-F300 HydrophobicContact CG2-CZ 3.76Å |
| 296 | G | 62.7 | Low | 60.8 | Low | 71 Ų | 71 | 105.3 Ų | 105.3 | 73% | 0.732 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.4 | 30.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | F298 | G296-F298 VanDerWaalsContact C-N 3.32Å; G296-F298 VanDerWaalsContact O-CD2 3.31Å; G296-F298 WeakPolarHBondContact O-CD2 3.47Å; G296-F298 PolarHBondContact O-N 3.36Å |
| 297 | G | 71.9 | Confident | 60.4 | Low | 56 Ų | 56 | 102.9 Ų | 102.9 | 58% | 0.577 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.5 | -6.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V295 | V295-G297 VanDerWaalsContact C-N 3.33Å; V295-G297 PolarHBondContact O-N 3.25Å |
| 298 | F | 66 | Low | 59.9 | Low | 168 Ų | 168 | 103.5 Ų | 103.5 | 74% | 0.737 | 63% | 0.632 | S | S | * | * | B | Isolated β-bridge | trans | -106.6 | 133.4 | 175 | -56.1 | -81.6 | 0 | 0 | 0 | 110.2 | V295 G296 | V295-F298 PolarHBondContact N-O 2.78Å; V295-F298 PolarHBondContact O-N 3.03Å; G296-F298 VanDerWaalsContact C-N 3.32Å; G296-F298 VanDerWaalsContact O-CD2 3.31Å; G296-F298 WeakPolarHBondContact O-CD2 3.47Å; G296-F298 PolarHBondContact O-N 3.36Å |
| 299 | G | 72.9 | Confident | 59.6 | Low | 39 Ų | 39 | 102.5 Ų | 102.5 | 40% | 0.402 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -80.4 | 146.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V301 | G299-V301 PolarHBondContact O-N 3.28Š|
| 300 | F | 67.4 | Low | 59.5 | Low | 130 Ų | 130 | 103.4 Ų | 103.4 | 57% | 0.57 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 127 | 175.9 | -69.3 | -78.1 | 0 | 0 | 0 | 110 | S292 P293 V295 A302 | S292-F300 PolarHBondContact OG-N 3.43Å; S292-F300 PolarHBondContact OG-O 3.08Å; P293-F300 WeakPolarHBondContact O-CD2 3.48Å; P293-F300 WeakPolarHBondContact O-CE2 3.41Å; V295-F300 HydrophobicContact CB-CZ 4.39Å; V295-F300 HydrophobicContact CG2-CE2 3.86Å; V295-F300 HydrophobicContact CG2-CZ 3.76Å; F300-A302 PolarHBondContact O-N 3.05Å |
| 301 | V | 64 | Low | 59.1 | Low | 139 Ų | 139 | 104.5 Ų | 104.5 | 84% | 0.842 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -73 | 116.4 | 172.1 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | G299 T303 | G299-V301 PolarHBondContact O-N 3.28Å; V301-T303 PolarHBondContact O-N 3.33Å |
| 302 | A | 60.1 | Low | 58.8 | Low | 90 Ų | 90 | 105.2 Ų | 105.2 | 74% | 0.744 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 125 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | F300 | F300-A302 PolarHBondContact O-N 3.05Š|
| 303 | T | 54.3 | Low | 58.4 | Low | 128 Ų | 128 | 108.5 Ų | 108.5 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 129.9 | 172.9 | 41.8 | 0 | 0 | 0 | 0 | 109.1 | V301 S305 | V301-T303 PolarHBondContact O-N 3.33Å; T303-S305 PolarHBondContact O-N 3.47Å |
| 304 | P | 56.1 | Low | 57.9 | Low | 126 Ų | 126 | 109 Ų | 109 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -63 | 126.5 | 176.6 | 25.5 | -32.2 | 0 | 0 | 0 | 108.9 | ||
| 305 | S | 49.6 | Very low | 57.1 | Low | 86 Ų | 86 | 110.1 Ų | 110.1 | 60% | 0.601 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133.7 | 177.9 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | T303 A307 | T303-S305 PolarHBondContact O-N 3.47Å; S305-A307 PolarHBondContact O-N 2.92Å |
| 306 | P | 55.4 | Low | 56.6 | Low | 133 Ų | 133 | 112 Ų | 112 | 86% | 0.864 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -69.4 | -0.6 | -176.9 | 26.8 | -34 | 0 | 0 | 0 | 114.7 | P308 | P306-P308 WeakPolarHBondContact O-CD 3.46Š|
| 307 | A | 50.5 | Low | 55.9 | Low | 49 Ų | 49 | 113.9 Ų | 113.9 | 41% | 0.405 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -116.7 | 90.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S305 G309 V310 | S305-A307 PolarHBondContact O-N 2.92Å; A307-G309 PolarHBondContact O-N 3.27Å; A307-V310 HydrophobicContact CB-CG2 3.96Å |
| 308 | P | 47.7 | Very low | 54.9 | Low | 124 Ų | 124 | 122.4 Ų | 122.4 | 81% | 0.805 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 129.9 | 170.1 | 26.5 | -29.7 | 0 | 0 | 0 | 109 | P306 | P306-P308 WeakPolarHBondContact O-CD 3.46Š|
| 309 | G | 53.4 | Low | 54.1 | Low | 41 Ų | 41 | 116.8 Ų | 116.8 | 42% | 0.423 | 70% | 0.7 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 109.9 | -0.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | A307 | A307-G309 PolarHBondContact O-N 3.27Š|
| 310 | V | 54.9 | Low | 53 | Low | 118 Ų | 118 | 123.6 Ų | 123.6 | 72% | 0.715 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -82.8 | -22.6 | 178.2 | -169 | 0 | 0 | 0 | 0 | 112.6 | A307 | A307-V310 HydrophobicContact CB-CG2 3.96Š|
| 311 | N | 49.9 | Very low | 52.1 | Low | 160 Ų | 160 | 123 Ų | 123 | 86% | 0.856 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -105.4 | 0.8 | 175.4 | -63.8 | -23.8 | 0 | 0 | 0 | 113.2 | S313 | N311-S313 PolarHBondContact O-N 2.78Š|
| 312 | E | 50.8 | Low | 51.4 | Low | 153 Ų | 153 | 124.8 Ų | 124.8 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | trans | -91.3 | 103.6 | 174.8 | -70.8 | 179.7 | 168 | 0 | 0 | 107.8 | ||||
| 313 | S | 53.1 | Low | 50.9 | Low | 109 Ų | 109 | 126.7 Ų | 126.7 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | trans | -53.3 | 137.6 | 157.4 | -82 | 0 | 0 | 0 | 0 | 107.7 | N311 M315 | N311-S313 PolarHBondContact O-N 2.78Å; S313-M315 PolarHBondContact O-N 3.49Å | ||
| 314 | P | 53.6 | Low | 50.9 | Low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 73% | 0.727 | S | S | * | * | trans | -46.9 | 133.6 | 178.9 | -26.3 | 32.6 | 0 | 0 | 0 | 109.9 | M316 | P314-M316 PolarHBondContact O-N 3.19Š| ||
| 315 | M | 49.7 | Very low | 50.6 | Low | 176 Ų | 176 | 126.3 Ų | 126.3 | 87% | 0.867 | 72% | 0.723 | S | S | * | * | trans | -55.2 | 85.5 | 168.5 | 169.7 | -174.7 | -90.2 | 0 | 0 | 108.4 | S313 T317 | S313-M315 PolarHBondContact O-N 3.49Å; M315-T317 WeakPolarHBondContact CG-OG1 3.27Å; M315-T317 PolarHBondContact O-N 2.81Å | ||
| 316 | M | 45.5 | Very low | 50.7 | Low | 142 Ų | 142 | 130 Ų | 130 | 70% | 0.7 | 74% | 0.735 | S | S | * | * | trans | -96 | 84.5 | 167.9 | -170.4 | 70.8 | 73.1 | 0 | 0 | 105 | P314 W318 | P314-M316 PolarHBondContact O-N 3.19Å; M316-W318 VanDerWaalsContact C-N 3.28Å; M316-W318 PolarHBondContact O-N 3.06Å | ||
| 317 | T | 47.7 | Very low | 50.4 | Low | 110 Ų | 110 | 135 Ų | 135 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | trans | -66.9 | 93.6 | 169.8 | -36.1 | 0 | 0 | 0 | 0 | 106.6 | M315 G319 | M315-T317 WeakPolarHBondContact CG-OG1 3.27Å; M315-T317 PolarHBondContact O-N 2.81Å; T317-G319 PolarHBondContact O-N 3.25Å | ||
| 318 | W | 50.6 | Low | 50.2 | Low | 235 Ų | 235 | 139.1 Ų | 139.1 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | trans | -65.7 | 90.6 | 155.1 | -70.5 | 87.1 | 0 | 0 | 0 | 105.3 | M316 | M316-W318 VanDerWaalsContact C-N 3.28Å; M316-W318 PolarHBondContact O-N 3.06Å | ||
| 319 | G | 48.3 | Very low | 50.4 | Low | 51 Ų | 51 | 142.6 Ų | 142.6 | 53% | 0.526 | 76% | 0.762 | S | S | . | * | trans | -58.3 | 138.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | T317 V321 | T317-G319 PolarHBondContact O-N 3.25Å; G319-V321 PolarHBondContact O-N 3.17Å | ||
| 320 | E | 49.8 | Very low | 50.3 | Low | 182 Ų | 182 | 144 Ų | 144 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | -66.2 | 111.9 | 169.6 | -162.5 | 168.6 | -161.2 | 0 | 0 | 107.8 | E322 | E320-E322 PolarHBondContact O-N 3.49Š| ||
| 321 | V | 49.3 | Very low | 49.6 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | trans | -79.7 | 91.7 | 176.3 | -174.2 | 0 | 0 | 0 | 0 | 107 | G319 N323 | G319-V321 PolarHBondContact O-N 3.17Å; V321-N323 VanDerWaalsContact CG1-O 3.32Å; V321-N323 WeakPolarHBondContact CG1-O 3.48Å; V321-N323 PolarHBondContact O-N 3.41Å | ||
| 322 | E | 48.3 | Very low | 49.5 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -64.1 | 7.4 | -177.3 | -118.5 | -165.3 | 166.6 | 0 | 0 | 115.2 | E320 | E320-E322 PolarHBondContact O-N 3.49Š| ||
| 323 | N | 50.9 | Low | 49.3 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -152.9 | 138.1 | 173.9 | -88.1 | -53.8 | 0 | 0 | 0 | 111.9 | V321 P325 | V321-N323 VanDerWaalsContact CG1-O 3.32Å; V321-N323 WeakPolarHBondContact CG1-O 3.48Å; V321-N323 PolarHBondContact O-N 3.41Å; N323-P325 WeakPolarHBondContact O-CD 3.43Å; N323-P325 VanDerWaalsContact O-N 3.08Å |
| 324 | T | 53.5 | Low | 49 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -50.5 | 118.5 | 162.9 | -31.9 | 0 | 0 | 0 | 0 | 107.6 | L326 | T324-L326 PolarHBondContact O-N 2.97Š| ||
| 325 | P | 50.6 | Low | 48.6 | Very low | 113 Ų | 113 | 147.6 Ų | 147.6 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -62.4 | 106.6 | -170.9 | 20.9 | -31.2 | 0 | 0 | 0 | 109.9 | N323 R327 | N323-P325 WeakPolarHBondContact O-CD 3.43Å; N323-P325 VanDerWaalsContact O-N 3.08Å; P325-R327 PolarHBondContact O-N 3.23Å | ||
| 326 | L | 51 | Low | 48.4 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | trans | -69.7 | 120.2 | 171 | -156.6 | 87.9 | 0 | 0 | 0 | 106.8 | T324 V328 | T324-L326 PolarHBondContact O-N 2.97Å; L326-V328 PolarHBondContact O-N 3.4Å; L326-V328 VanDerWaalsContact O-N 3.09Å | ||
| 327 | R | 49.5 | Very low | 48.5 | Very low | 238 Ų | 238 | 143.8 Ų | 143.8 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | -60.2 | 116.3 | 172.9 | -76.4 | -176.9 | 158.6 | -169.7 | -7.5 | 108.5 | P325 E329 | P325-R327 PolarHBondContact O-N 3.23Å; R327-E329 PolarHBondContact O-N 2.93Å; R327-E329 VanDerWaalsContact O-N 3.13Å | ||
| 328 | V | 46.9 | Very low | 48.9 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -64 | 109 | 163.1 | -179.9 | 0 | 0 | 0 | 0 | 106.3 | L326 G330 | L326-V328 PolarHBondContact O-N 3.4Å; L326-V328 VanDerWaalsContact O-N 3.09Å; V328-G330 PolarHBondContact O-N 3.47Å | ||
| 329 | E | 51.1 | Low | 49.1 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | trans | -59.6 | 124.5 | 164.9 | -92.3 | -167.1 | 154.1 | 0 | 0 | 108.3 | R327 | R327-E329 PolarHBondContact O-N 2.93Å; R327-E329 VanDerWaalsContact O-N 3.13Å | ||
| 330 | G | 51.9 | Low | 49.4 | Very low | 71 Ų | 71 | 148.2 Ų | 148.2 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | 114.3 | 85.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V328 | V328-G330 PolarHBondContact O-N 3.47Š| ||
| 331 | S | 38.9 | Very low | 50.4 | Low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -152.5 | 117.7 | 132.5 | 52.4 | 0 | 0 | 0 | 0 | 110 | T333 | S331-T333 PolarHBondContact O-N 2.9Š| ||
| 332 | E | 48.4 | Very low | 51.4 | Low | 201 Ų | 201 | 143 Ų | 143 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | trans | -69.8 | 73.2 | 174.2 | -171.7 | -179.7 | -173.7 | 0 | 0 | 109.8 | ||||
| 333 | T | 46.9 | Very low | 52.4 | Low | 100 Ų | 100 | 138.9 Ų | 138.9 | 61% | 0.613 | 78% | 0.779 | S | S | * | * | trans | -138.2 | 127.3 | 167.8 | 57.3 | 0 | 0 | 0 | 0 | 109.3 | S331 Y335 | S331-T333 PolarHBondContact O-N 2.9Å; T333-Y335 PolarHBondContact O-N 2.83Å | ||
| 334 | P | 47.2 | Very low | 53.7 | Low | 121 Ų | 121 | 141.4 Ų | 141.4 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -73.4 | 101.2 | 177.5 | 29.4 | -29.2 | 0 | 0 | 0 | 107.6 | V336 | P334-V336 PolarHBondContact O-N 3.22Å; P334-V336 VanDerWaalsContact O-N 3.09Å | ||
| 335 | Y | 44.6 | Very low | 54.9 | Low | 205 Ų | 205 | 143.4 Ų | 143.4 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -66.3 | 108.6 | 170.4 | -157.5 | -96.7 | 0 | 0 | 0 | 107.9 | T333 D337 | T333-Y335 PolarHBondContact O-N 2.83Å; Y335-D337 PolarHBondContact O-N 3.03Å | ||
| 336 | V | 46.3 | Very low | 56.4 | Low | 109 Ų | 109 | 144.5 Ų | 144.5 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | trans | -76.6 | 106.6 | 176.7 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | P334 R338 | P334-V336 PolarHBondContact O-N 3.22Å; P334-V336 VanDerWaalsContact O-N 3.09Å; V336-R338 HydrophobicContact CG1-CG 4.44Å; V336-R338 PolarHBondContact O-N 3.39Å | ||
| 337 | D | 46.9 | Very low | 58 | Low | 129 Ų | 129 | 143.5 Ų | 143.5 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | trans | -57.3 | 102.9 | 169.9 | -77.7 | -32.6 | 0 | 0 | 0 | 110.2 | Y335 T339 | Y335-D337 PolarHBondContact O-N 3.03Å; D337-T339 PolarHBondContact O-N 3.29Å | ||
| 338 | R | 54.9 | Low | 59.6 | Low | 228 Ų | 228 | 139.5 Ų | 139.5 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -94.5 | 53.3 | 174.7 | -80 | -169 | 173.8 | -171.9 | 0.4 | 112.3 | V336 | V336-R338 HydrophobicContact CG1-CG 4.44Å; V336-R338 PolarHBondContact O-N 3.39Å | ||
| 339 | T | 55.6 | Low | 61.5 | Low | 115 Ų | 115 | 135.5 Ų | 135.5 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | -141.9 | 109.9 | 162.2 | 35.1 | 0 | 0 | 0 | 0 | 109.7 | D337 G341 | D337-T339 PolarHBondContact O-N 3.29Å; T339-G341 PolarHBondContact O-N 3.18Å | ||
| 340 | P | 54 | Low | 63.4 | Low | 146 Ų | 146 | 128 Ų | 128 | 95% | 0.948 | 72% | 0.719 | S | S | * | * | trans | -74.2 | 91.9 | 177.5 | 28.6 | -30.6 | 0 | 0 | 0 | 109.6 | ||||
| 341 | G | 70.9 | Confident | 65.3 | Low | 51 Ų | 51 | 135.6 Ų | 135.6 | 53% | 0.526 | 73% | 0.725 | S | S | . | * | S | Bend | trans | -166.8 | 156.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T339 A343 | T339-G341 PolarHBondContact O-N 3.18Å; G341-A343 PolarHBondContact O-N 3.19Å |
| 342 | P | 72 | Confident | 67.8 | Low | 141 Ų | 141 | 141.7 Ų | 141.7 | 92% | 0.916 | 73% | 0.732 | S | S | * | * | trans | -62.8 | 108.2 | 177.3 | 22.7 | -29.2 | 0 | 0 | 0 | 110.3 | ||||
| 343 | A | 69.3 | Low | 69.7 | Low | 88 Ų | 88 | 137.5 Ų | 137.5 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | -76.4 | 124.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110 | G341 K345 | G341-A343 PolarHBondContact O-N 3.19Å; A343-K345 PolarHBondContact O-N 3.21Å | ||
| 344 | F | 77.9 | Confident | 72 | Confident | 183 Ų | 183 | 137.9 Ų | 137.9 | 80% | 0.803 | 70% | 0.703 | S | S | * | * | trans | -66.9 | 115.6 | 175.8 | 177.3 | -102.5 | 0 | 0 | 0 | 109.9 | I346 | F344-I346 HydrophobicContact CD1-CG1 4.1Å; F344-I346 HydrophobicContact CE1-CD1 3.96Å; F344-I346 HydrophobicContact CE1-CG1 3.32Å; F344-I346 HydrophobicContact CZ-CG1 3.89Å | ||
| 345 | K | 77.3 | Confident | 74.2 | Confident | 176 Ų | 176 | 137.1 Ų | 137.1 | 77% | 0.765 | 69% | 0.692 | S | S | * | * | trans | -110 | 117 | 173.7 | -174.3 | 173.4 | -177.7 | 175.9 | 0 | 109.1 | A343 L347 | A343-K345 PolarHBondContact O-N 3.21Å; K345-L347 PolarHBondContact O-N 3.16Å | ||
| 346 | I | 83.3 | Confident | 76.6 | Confident | 135 Ų | 135 | 129.1 Ų | 129.1 | 69% | 0.692 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 120.1 | 169.5 | -59.4 | 173.3 | 0 | 0 | 0 | 107.2 | F344 | F344-I346 HydrophobicContact CD1-CG1 4.1Å; F344-I346 HydrophobicContact CE1-CD1 3.96Å; F344-I346 HydrophobicContact CE1-CG1 3.32Å; F344-I346 HydrophobicContact CZ-CG1 3.89Å |
| 347 | L | 83.5 | Confident | 78.8 | Confident | 144 Ų | 144 | 128.1 Ų | 128.1 | 75% | 0.754 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 140.5 | 175.3 | -61.4 | 177.5 | 0 | 0 | 0 | 109.4 | K345 | K345-L347 PolarHBondContact O-N 3.16Š|
| 348 | E | 83.4 | Confident | 81 | Confident | 153 Ų | 153 | 129 Ų | 129 | 72% | 0.715 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -63 | 142.6 | 172.5 | -68.9 | -174.4 | -177.5 | 0 | 0 | 110.9 | G350 R354 | E348-G350 PolarHBondContact O-N 3.29Å; E348-R354 IonicContact OE2-CZ 2.79Å; E348-R354 IonicContact OE2-NH2 3.43Å; E348-R354 PolarHBondContact OE2-NH2 3.34Å |
| 349 | P | 87.1 | Confident | 82.9 | Confident | 51 Ų | 51 | 123.7 Ų | 123.7 | 33% | 0.331 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 141 | 179.9 | 22.8 | -32.7 | 0 | 0 | 0 | 110.7 | E353 R354 | P349-E353 WeakPolarHBondContact CA-OE2 3.24Å; P349-E353 HydrophobicContact CB-CB 4.07Å; P349-E353 HydrophobicContact CB-CG 3.89Å; P349-E353 VanDerWaalsContact CB-OE2 3.25Å; P349-E353 WeakPolarHBondContact CB-OE2 3.48Å; P349-R354 HydrophobicContact CB-CG 4.37Å; P349-R354 HydrophobicContact CG-CG 4.15Å; P349-R354 VanDerWaalsContact O-CZ 3.27Å; P349-R354 PolarHBondContact O-NE 2.96Å; P349-R354 PolarHBondContact O-NH2 3.29Å |
| 350 | G | 92 | Very high | 84.7 | Confident | 40 Ų | 40 | 120.9 Ų | 120.9 | 41% | 0.412 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 166.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E348 R352 E353 R354 | E348-G350 PolarHBondContact O-N 3.29Å; G350-R352 PolarHBondContact O-N 3.05Å; G350-E353 PolarHBondContact O-N 3.02Å; G350-R354 WeakPolarHBondContact O-CG 3.45Å; G350-R354 PolarHBondContact O-N 2.89Å |
| 351 | R | 90.6 | Very high | 86.6 | Confident | 229 Ų | 229 | 119.1 Ų | 119.1 | 86% | 0.864 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -53.3 | -39.8 | 178.6 | -72.3 | -172.8 | 178.9 | -164.5 | 0.2 | 112.9 | L355 | R351-L355 PolarHBondContact O-N 3.32Å; R351-L355 VanDerWaalsContact O-N 3.1Å |
| 352 | R | 91.7 | Very high | 87.7 | Confident | 230 Ų | 230 | 121.6 Ų | 121.6 | 87% | 0.868 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.4 | -42.9 | 177.2 | -178.1 | 178.4 | 178.5 | 179.6 | -0.1 | 112.2 | G350 L355 G356 | G350-R352 PolarHBondContact O-N 3.05Å; R352-L355 PolarHBondContact O-N 3.04Å; R352-G356 PolarHBondContact O-N 2.96Å |
| 353 | E | 89.3 | Confident | 88.8 | Confident | 114 Ų | 114 | 117.2 Ų | 117.2 | 53% | 0.533 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.9 | -40.2 | -177.8 | -171.5 | 177 | -173.3 | 0 | 0 | 111.4 | P349 G350 L355 G356 L357 | P349-E353 WeakPolarHBondContact CA-OE2 3.24Å; P349-E353 HydrophobicContact CB-CB 4.07Å; P349-E353 HydrophobicContact CB-CG 3.89Å; P349-E353 VanDerWaalsContact CB-OE2 3.25Å; P349-E353 WeakPolarHBondContact CB-OE2 3.48Å; G350-E353 PolarHBondContact O-N 3.02Å; E353-L355 VanDerWaalsContact C-N 3.29Å; E353-L355 PolarHBondContact O-N 2.82Å; E353-G356 PolarHBondContact O-N 3.09Å; E353-G356 VanDerWaalsContact O-N 3.16Å; E353-L357 HydrophobicContact CG-CD1 4.24Å; E353-L357 WeakPolarHBondContact O-CB 3.38Å; E353-L357 WeakPolarHBondContact O-CG 3.45Å; E353-L357 PolarHBondContact O-N 3.28Å |
| 354 | R | 93.6 | Very high | 89.9 | Confident | 108 Ų | 108 | 114.5 Ų | 114.5 | 41% | 0.408 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -58.7 | -40.9 | 170.5 | -66.8 | 178.6 | -153.1 | 177.9 | -2.6 | 111.9 | E348 P349 G350 K358 | E348-R354 IonicContact OE2-CZ 2.79Å; E348-R354 IonicContact OE2-NH2 3.43Å; E348-R354 PolarHBondContact OE2-NH2 3.34Å; P349-R354 HydrophobicContact CB-CG 4.37Å; P349-R354 HydrophobicContact CG-CG 4.15Å; P349-R354 VanDerWaalsContact O-CZ 3.27Å; P349-R354 PolarHBondContact O-NE 2.96Å; P349-R354 PolarHBondContact O-NH2 3.29Å; G350-R354 WeakPolarHBondContact O-CG 3.45Å; G350-R354 PolarHBondContact O-N 2.89Å; R354-K358 WeakPolarHBondContact O-CB 3.38Å; R354-K358 VanDerWaalsContact O-CG 3.29Å; R354-K358 WeakPolarHBondContact O-CG 3.29Å; R354-K358 PolarHBondContact O-N 3.11Å |
| 355 | L | 93.7 | Very high | 90.6 | Very high | 104 Ų | 104 | 108.3 Ų | 108.3 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.1 | -42.7 | 175.7 | -175.3 | 63.8 | 0 | 0 | 0 | 111.2 | R351 R352 E353 K358 M359 | R351-L355 PolarHBondContact O-N 3.32Å; R351-L355 VanDerWaalsContact O-N 3.1Å; R352-L355 PolarHBondContact O-N 3.04Å; E353-L355 VanDerWaalsContact C-N 3.29Å; E353-L355 PolarHBondContact O-N 2.82Å; L355-K358 PolarHBondContact O-N 3.11Å; L355-M359 HydrophobicContact CG-SD 4.3Å; L355-M359 WeakPolarHBondContact O-CG 3.31Å; L355-M359 PolarHBondContact O-N 2.98Å |
| 356 | G | 94.4 | Very high | 91.4 | Very high | 37 Ų | 37 | 105.9 Ų | 105.9 | 38% | 0.381 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R352 E353 K358 M359 A360 | R352-G356 PolarHBondContact O-N 2.96Å; E353-G356 PolarHBondContact O-N 3.09Å; E353-G356 VanDerWaalsContact O-N 3.16Å; G356-K358 PolarHBondContact O-N 2.94Å; G356-M359 PolarHBondContact O-N 3.49Å; G356-A360 VanDerWaalsContact O-CB 3.31Å; G356-A360 WeakPolarHBondContact O-CB 3.41Å; G356-A360 PolarHBondContact O-N 2.87Å |
| 357 | L | 92.8 | Very high | 91.7 | Very high | 88 Ų | 88 | 104.7 Ų | 104.7 | 46% | 0.461 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 175 | -76.9 | 159.5 | 0 | 0 | 0 | 111.7 | E353 A360 N361 | E353-L357 HydrophobicContact CG-CD1 4.24Å; E353-L357 WeakPolarHBondContact O-CB 3.38Å; E353-L357 WeakPolarHBondContact O-CG 3.45Å; E353-L357 PolarHBondContact O-N 3.28Å; L357-A360 PolarHBondContact O-N 3.33Å; L357-N361 VanDerWaalsContact O-CB 3.31Å; L357-N361 WeakPolarHBondContact O-CB 3.37Å; L357-N361 PolarHBondContact O-N 3.31Å; L357-N361 PolarHBondContact O-ND2 2.91Å |
| 358 | K | 94.8 | Very high | 92.1 | Very high | 147 Ų | 147 | 105.8 Ų | 105.8 | 64% | 0.639 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.3 | -48.5 | 174.8 | -78.1 | -179.7 | 179.3 | -170.5 | 0 | 111.8 | R354 L355 G356 N361 E362 | R354-K358 WeakPolarHBondContact O-CB 3.38Å; R354-K358 VanDerWaalsContact O-CG 3.29Å; R354-K358 WeakPolarHBondContact O-CG 3.29Å; R354-K358 PolarHBondContact O-N 3.11Å; L355-K358 PolarHBondContact O-N 3.11Å; G356-K358 PolarHBondContact O-N 2.94Å; K358-N361 PolarHBondContact O-N 3.29Å; K358-E362 WeakPolarHBondContact O-CB 3.47Å; K358-E362 PolarHBondContact O-N 3.45Å |
| 359 | M | 92.9 | Very high | 92.5 | Very high | 118 Ų | 118 | 101 Ų | 101 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.8 | -40.6 | 179 | -70.6 | 179.3 | 70 | 0 | 0 | 112.3 | L355 G356 E362 A363 | L355-M359 HydrophobicContact CG-SD 4.3Å; L355-M359 WeakPolarHBondContact O-CG 3.31Å; L355-M359 PolarHBondContact O-N 2.98Å; G356-M359 PolarHBondContact O-N 3.49Å; M359-E362 PolarHBondContact O-N 3.09Å; M359-A363 VanDerWaalsContact O-CB 3.31Å; M359-A363 WeakPolarHBondContact O-CB 3.45Å; M359-A363 PolarHBondContact O-N 3.36Å |
| 360 | A | 94.1 | Very high | 92.8 | Very high | 56 Ų | 56 | 106 Ų | 106 | 46% | 0.463 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | G356 L357 A363 A364 | G356-A360 VanDerWaalsContact O-CB 3.31Å; G356-A360 WeakPolarHBondContact O-CB 3.41Å; G356-A360 PolarHBondContact O-N 2.87Å; L357-A360 PolarHBondContact O-N 3.33Å; A360-A363 PolarHBondContact O-N 3.32Å; A360-A364 VanDerWaalsContact O-CB 3.27Å; A360-A364 WeakPolarHBondContact O-CB 3.48Å; A360-A364 PolarHBondContact O-N 2.89Å |
| 361 | N | 93.7 | Very high | 92.8 | Very high | 109 Ų | 109 | 111.1 Ų | 111.1 | 58% | 0.583 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 176.8 | -72.9 | -20.8 | 0 | 0 | 0 | 111.8 | L357 K358 A364 A365 | L357-N361 VanDerWaalsContact O-CB 3.31Å; L357-N361 WeakPolarHBondContact O-CB 3.37Å; L357-N361 PolarHBondContact O-N 3.31Å; L357-N361 PolarHBondContact O-ND2 2.91Å; K358-N361 PolarHBondContact O-N 3.29Å; N361-A364 PolarHBondContact O-N 3.2Å; N361-A365 VanDerWaalsContact O-CB 3.28Å; N361-A365 WeakPolarHBondContact O-CB 3.39Å; N361-A365 PolarHBondContact O-N 2.76Å |
| 362 | E | 95.5 | Very high | 92.7 | Very high | 103 Ų | 103 | 106 Ų | 106 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 176.8 | -166.8 | -173.1 | 157.7 | 0 | 0 | 111.8 | K358 M359 A365 K366 | K358-E362 WeakPolarHBondContact O-CB 3.47Å; K358-E362 PolarHBondContact O-N 3.45Å; M359-E362 PolarHBondContact O-N 3.09Å; E362-A365 PolarHBondContact O-N 3.02Å; E362-K366 WeakPolarHBondContact O-CB 3.27Å; E362-K366 WeakPolarHBondContact O-CG 3.33Å; E362-K366 PolarHBondContact O-N 2.86Å; E362-K366 VanDerWaalsContact OE1-CE 3.22Å; E362-K366 WeakPolarHBondContact OE1-CE 3.48Å; E362-K366 IonicContact OE1-NZ 3.98Å; E362-K366 PolarHBondContact OE1-NZ 3.26Å |
| 363 | A | 94.2 | Very high | 92.4 | Very high | 48 Ų | 48 | 99.8 Ų | 99.8 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M359 A360 A365 K366 N367 | M359-A363 VanDerWaalsContact O-CB 3.31Å; M359-A363 WeakPolarHBondContact O-CB 3.45Å; M359-A363 PolarHBondContact O-N 3.36Å; A360-A363 PolarHBondContact O-N 3.32Å; A363-A365 VanDerWaalsContact C-N 3.35Å; A363-K366 PolarHBondContact O-N 3.02Å; A363-N367 WeakPolarHBondContact O-CB 3.49Å; A363-N367 PolarHBondContact O-N 3.2Å; A363-N367 PolarHBondContact O-ND2 3.33Å |
| 364 | A | 92.8 | Very high | 92.3 | Very high | 31 Ų | 31 | 96.9 Ų | 96.9 | 26% | 0.256 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A360 N361 N367 R368 | A360-A364 VanDerWaalsContact O-CB 3.27Å; A360-A364 WeakPolarHBondContact O-CB 3.48Å; A360-A364 PolarHBondContact O-N 2.89Å; N361-A364 PolarHBondContact O-N 3.2Å; A364-N367 PolarHBondContact O-N 2.95Å; A364-R368 WeakPolarHBondContact O-CG 3.38Å; A364-R368 PolarHBondContact O-N 2.92Å |
| 365 | A | 92.5 | Very high | 91.8 | Very high | 54 Ų | 54 | 96.3 Ų | 96.3 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N361 E362 A363 N367 R368 A369 | N361-A365 VanDerWaalsContact O-CB 3.28Å; N361-A365 WeakPolarHBondContact O-CB 3.39Å; N361-A365 PolarHBondContact O-N 2.76Å; E362-A365 PolarHBondContact O-N 3.02Å; A363-A365 VanDerWaalsContact C-N 3.35Å; A365-N367 VanDerWaalsContact C-N 3.35Å; A365-N367 PolarHBondContact O-N 2.93Å; A365-R368 PolarHBondContact O-N 3.39Å; A365-A369 WeakPolarHBondContact O-CB 3.29Å; A365-A369 PolarHBondContact O-N 3.34Å |
| 366 | K | 93.9 | Very high | 91.3 | Very high | 125 Ų | 125 | 99.4 Ų | 99.4 | 54% | 0.543 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 176.1 | -74.1 | 175.3 | -176 | 170.8 | 0 | 112.2 | E362 A363 A369 K370 | E362-K366 WeakPolarHBondContact O-CB 3.27Å; E362-K366 WeakPolarHBondContact O-CG 3.33Å; E362-K366 PolarHBondContact O-N 2.86Å; E362-K366 VanDerWaalsContact OE1-CE 3.22Å; E362-K366 WeakPolarHBondContact OE1-CE 3.48Å; E362-K366 IonicContact OE1-NZ 3.98Å; E362-K366 PolarHBondContact OE1-NZ 3.26Å; A363-K366 PolarHBondContact O-N 3.02Å; K366-A369 PolarHBondContact O-N 3.06Å; K366-K370 WeakPolarHBondContact O-CB 3.45Å; K366-K370 PolarHBondContact O-N 3.26Å |
| 367 | N | 89.9 | Confident | 90.6 | Very high | 110 Ų | 110 | 104.3 Ų | 104.3 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.8 | -39.7 | 177.3 | -74 | -26.3 | 0 | 0 | 0 | 112.4 | A363 A364 A365 K371 | A363-N367 WeakPolarHBondContact O-CB 3.49Å; A363-N367 PolarHBondContact O-N 3.2Å; A363-N367 PolarHBondContact O-ND2 3.33Å; A364-N367 PolarHBondContact O-N 2.95Å; A365-N367 VanDerWaalsContact C-N 3.35Å; A365-N367 PolarHBondContact O-N 2.93Å; N367-K371 WeakPolarHBondContact O-CB 3.27Å; N367-K371 PolarHBondContact O-N 2.8Å |
| 368 | R | 91.3 | Very high | 89.8 | Confident | 167 Ų | 167 | 104 Ų | 104 | 63% | 0.63 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.1 | -44.5 | 173.8 | -73.6 | -178.2 | -171.2 | 112.5 | -2.9 | 111.7 | A364 A365 K371 Q372 | A364-R368 WeakPolarHBondContact O-CG 3.38Å; A364-R368 PolarHBondContact O-N 2.92Å; A365-R368 PolarHBondContact O-N 3.39Å; R368-K371 PolarHBondContact O-N 2.91Å; R368-Q372 WeakPolarHBondContact O-CG 3.29Å; R368-Q372 PolarHBondContact O-N 3.49Å |
| 369 | A | 92.1 | Very high | 89 | Confident | 53 Ų | 53 | 100.9 Ų | 100.9 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A365 K366 K371 Q372 E373 | A365-A369 WeakPolarHBondContact O-CB 3.29Å; A365-A369 PolarHBondContact O-N 3.34Å; K366-A369 PolarHBondContact O-N 3.06Å; A369-K371 VanDerWaalsContact C-N 3.33Å; A369-K371 PolarHBondContact O-N 3.45Å; A369-Q372 PolarHBondContact O-N 3.36Å; A369-E373 PolarHBondContact O-N 3.12Å |
| 370 | K | 92.6 | Very high | 87.9 | Confident | 154 Ų | 154 | 100.7 Ų | 100.7 | 67% | 0.67 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.7 | -39.8 | 175.9 | -172.2 | 177.9 | -178.9 | -179.2 | 0 | 112.4 | K366 A374 | K366-K370 WeakPolarHBondContact O-CB 3.45Å; K366-K370 PolarHBondContact O-N 3.26Å; K370-A374 VanDerWaalsContact O-CB 3.31Å; K370-A374 WeakPolarHBondContact O-CB 3.47Å; K370-A374 PolarHBondContact O-N 3.41Å |
| 371 | K | 92.1 | Very high | 86.5 | Confident | 148 Ų | 148 | 103.5 Ų | 103.5 | 64% | 0.643 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -45.3 | 174.5 | -175.3 | 179.7 | 178.6 | -178.8 | 0 | 110.8 | N367 R368 A369 A374 L375 | N367-K371 WeakPolarHBondContact O-CB 3.27Å; N367-K371 PolarHBondContact O-N 2.8Å; R368-K371 PolarHBondContact O-N 2.91Å; A369-K371 VanDerWaalsContact C-N 3.33Å; A369-K371 PolarHBondContact O-N 3.45Å; K371-A374 PolarHBondContact O-N 3.4Å; K371-L375 HydrophobicContact CG-CD1 4.17Å; K371-L375 WeakPolarHBondContact O-CB 3.44Å; K371-L375 VanDerWaalsContact O-CG 3.25Å; K371-L375 WeakPolarHBondContact O-CG 3.45Å; K371-L375 PolarHBondContact O-N 3.13Å |
| 372 | Q | 88.4 | Confident | 85.1 | Confident | 122 Ų | 122 | 104.7 Ų | 104.7 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65 | -40.7 | 178.1 | -73.8 | 176.6 | -10.2 | 0 | 0 | 112.4 | R368 A369 L375 R376 | R368-Q372 WeakPolarHBondContact O-CG 3.29Å; R368-Q372 PolarHBondContact O-N 3.49Å; A369-Q372 PolarHBondContact O-N 3.36Å; Q372-L375 PolarHBondContact O-N 2.89Å; Q372-R376 WeakPolarHBondContact O-CB 3.3Å; Q372-R376 WeakPolarHBondContact O-CG 3.47Å; Q372-R376 PolarHBondContact O-N 3.11Å |
| 373 | E | 86.6 | Confident | 83.2 | Confident | 99 Ų | 99 | 103.7 Ų | 103.7 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 176.5 | -166.6 | -172.4 | 161 | 0 | 0 | 111.9 | A369 L375 R376 R377 | A369-E373 PolarHBondContact O-N 3.12Å; E373-L375 VanDerWaalsContact C-N 3.35Å; E373-R376 PolarHBondContact O-N 2.81Å; E373-R377 VanDerWaalsContact O-CG 3.3Å; E373-R377 WeakPolarHBondContact O-CG 3.45Å; E373-R377 PolarHBondContact O-N 2.96Å; E373-R377 IonicContact OE1-CZ 3.62Å; E373-R377 IonicContact OE1-NH1 3.75Å; E373-R377 PolarHBondContact OE1-NH1 3.05Å; E373-R377 IonicContact OE1-NH2 2.81Å; E373-R377 PolarHBondContact OE1-NH2 2.9Å |
| 374 | A | 87.3 | Confident | 81.3 | Confident | 54 Ų | 54 | 104.9 Ų | 104.9 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K370 K371 R377 V378 | K370-A374 VanDerWaalsContact O-CB 3.31Å; K370-A374 WeakPolarHBondContact O-CB 3.47Å; K370-A374 PolarHBondContact O-N 3.41Å; K371-A374 PolarHBondContact O-N 3.4Å; A374-R377 PolarHBondContact O-N 3.39Å; A374-V378 WeakPolarHBondContact O-CG2 3.44Å; A374-V378 PolarHBondContact O-N 2.85Å |
| 375 | L | 82.1 | Confident | 79.1 | Confident | 96 Ų | 96 | 111.4 Ų | 111.4 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.9 | -44.4 | 174.1 | -71 | 172.5 | 0 | 0 | 0 | 111.3 | K371 Q372 E373 R377 V378 T379 | K371-L375 HydrophobicContact CG-CD1 4.17Å; K371-L375 WeakPolarHBondContact O-CB 3.44Å; K371-L375 VanDerWaalsContact O-CG 3.25Å; K371-L375 WeakPolarHBondContact O-CG 3.45Å; K371-L375 PolarHBondContact O-N 3.13Å; Q372-L375 PolarHBondContact O-N 2.89Å; E373-L375 VanDerWaalsContact C-N 3.35Å; L375-R377 VanDerWaalsContact C-N 3.35Å; L375-R377 PolarHBondContact O-N 2.92Å; L375-V378 PolarHBondContact O-N 3.35Å; L375-T379 WeakPolarHBondContact O-CG2 3.31Å; L375-T379 PolarHBondContact O-N 3.46Å; L375-T379 PolarHBondContact O-OG1 3.38Å |
| 376 | R | 83.6 | Confident | 77 | Confident | 168 Ų | 168 | 114.1 Ų | 114.1 | 63% | 0.634 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -57.5 | -44.7 | 175 | -79.9 | -177.4 | 176.9 | 178 | -0.7 | 112.3 | Q372 E373 V378 T379 E380 | Q372-R376 WeakPolarHBondContact O-CB 3.3Å; Q372-R376 WeakPolarHBondContact O-CG 3.47Å; Q372-R376 PolarHBondContact O-N 3.11Å; E373-R376 PolarHBondContact O-N 2.81Å; R376-V378 PolarHBondContact O-N 3.02Å; R376-T379 VanDerWaalsContact CA-OG1 3.28Å; R376-T379 WeakPolarHBondContact CA-OG1 3.48Å; R376-T379 PolarHBondContact O-N 2.78Å; R376-T379 PolarHBondContact O-OG1 3.36Å; R376-E380 WeakPolarHBondContact O-CB 3.49Å; R376-E380 WeakPolarHBondContact O-CG 3.4Å; R376-E380 PolarHBondContact O-N 3.28Å |
| 377 | R | 80.6 | Confident | 75 | Confident | 140 Ų | 140 | 114.4 Ų | 114.4 | 53% | 0.528 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.3 | -40.5 | 176.1 | -72.3 | -108.3 | 176.9 | 71 | 14.1 | 112.3 | E373 A374 L375 N381 | E373-R377 VanDerWaalsContact O-CG 3.3Å; E373-R377 WeakPolarHBondContact O-CG 3.45Å; E373-R377 PolarHBondContact O-N 2.96Å; E373-R377 IonicContact OE1-CZ 3.62Å; E373-R377 IonicContact OE1-NH1 3.75Å; E373-R377 PolarHBondContact OE1-NH1 3.05Å; E373-R377 IonicContact OE1-NH2 2.81Å; E373-R377 PolarHBondContact OE1-NH2 2.9Å; A374-R377 PolarHBondContact O-N 3.39Å; L375-R377 VanDerWaalsContact C-N 3.35Å; L375-R377 PolarHBondContact O-N 2.92Å; R377-N381 WeakPolarHBondContact O-CB 3.39Å; R377-N381 PolarHBondContact O-N 2.81Å; R377-N381 PolarHBondContact O-ND2 3.05Å; R377-N381 VanDerWaalsContact O-ND2 3.08Å |
| 378 | V | 76 | Confident | 72.6 | Confident | 81 Ų | 81 | 118.3 Ų | 118.3 | 49% | 0.491 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.1 | -43.5 | 175.4 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | A374 L375 R376 N381 L382 | A374-V378 WeakPolarHBondContact O-CG2 3.44Å; A374-V378 PolarHBondContact O-N 2.85Å; L375-V378 PolarHBondContact O-N 3.35Å; R376-V378 PolarHBondContact O-N 3.02Å; V378-N381 PolarHBondContact O-N 3.46Å; V378-L382 HydrophobicContact CG1-CD1 4.09Å; V378-L382 WeakPolarHBondContact O-CG 3.42Å; V378-L382 PolarHBondContact O-N 3.45Å |
| 379 | T | 76.7 | Confident | 70.3 | Confident | 82 Ų | 82 | 113.4 Ų | 113.4 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.8 | -37.8 | 178.3 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | L375 R376 L382 A383 | L375-T379 WeakPolarHBondContact O-CG2 3.31Å; L375-T379 PolarHBondContact O-N 3.46Å; L375-T379 PolarHBondContact O-OG1 3.38Å; R376-T379 VanDerWaalsContact CA-OG1 3.28Å; R376-T379 WeakPolarHBondContact CA-OG1 3.48Å; R376-T379 PolarHBondContact O-N 2.78Å; R376-T379 PolarHBondContact O-OG1 3.36Å; T379-L382 PolarHBondContact O-N 3.13Å; T379-A383 VanDerWaalsContact O-CB 3.32Å; T379-A383 WeakPolarHBondContact O-CB 3.24Å; T379-A383 PolarHBondContact O-N 3Å |
| 380 | E | 70.4 | Confident | 68.3 | Low | 115 Ų | 115 | 119.6 Ų | 119.6 | 54% | 0.537 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -63.9 | -40.7 | 174.8 | -75.4 | 166.7 | -174.6 | 0 | 0 | 111.2 | R376 L382 A383 S384 | R376-E380 WeakPolarHBondContact O-CB 3.49Å; R376-E380 WeakPolarHBondContact O-CG 3.4Å; R376-E380 PolarHBondContact O-N 3.28Å; E380-L382 VanDerWaalsContact C-N 3.32Å; E380-L382 PolarHBondContact O-N 3.37Å; E380-A383 PolarHBondContact O-N 2.88Å; E380-S384 PolarHBondContact O-N 3Å |
| 381 | N | 63.8 | Low | 66.2 | Low | 114 Ų | 114 | 118.2 Ų | 118.2 | 61% | 0.61 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.9 | -28.4 | 175.7 | -69.9 | -23.9 | 0 | 0 | 0 | 113.3 | R377 V378 | R377-N381 WeakPolarHBondContact O-CB 3.39Å; R377-N381 PolarHBondContact O-N 2.81Å; R377-N381 PolarHBondContact O-ND2 3.05Å; R377-N381 VanDerWaalsContact O-ND2 3.08Å; V378-N381 PolarHBondContact O-N 3.46Å |
| 382 | L | 64.5 | Low | 64.4 | Low | 135 Ų | 135 | 117.2 Ų | 117.2 | 71% | 0.707 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -82 | -26.2 | 174.8 | -70.2 | 175 | 0 | 0 | 0 | 112.5 | V378 T379 E380 | V378-L382 HydrophobicContact CG1-CD1 4.09Å; V378-L382 WeakPolarHBondContact O-CG 3.42Å; V378-L382 PolarHBondContact O-N 3.45Å; T379-L382 PolarHBondContact O-N 3.13Å; E380-L382 VanDerWaalsContact C-N 3.32Å; E380-L382 PolarHBondContact O-N 3.37Å |
| 383 | A | 56.8 | Low | 63.1 | Low | 82 Ų | 82 | 115.1 Ų | 115.1 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -82.4 | -18.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | T379 E380 L385 | T379-A383 VanDerWaalsContact O-CB 3.32Å; T379-A383 WeakPolarHBondContact O-CB 3.24Å; T379-A383 PolarHBondContact O-N 3Å; E380-A383 PolarHBondContact O-N 2.88Å; A383-L385 PolarHBondContact O-N 3.43Å |
| 384 | S | 52.8 | Low | 61.7 | Low | 72 Ų | 72 | 114.6 Ų | 114.6 | 50% | 0.503 | 65% | 0.646 | S | S | . | * | trans | -87.5 | 79.7 | 179.5 | 70 | 0 | 0 | 0 | 0 | 112.6 | E380 T386 | E380-S384 PolarHBondContact O-N 3Å; S384-T386 PolarHBondContact O-N 2.81Å; S384-T386 VanDerWaalsContact O-N 3.11Å | ||
| 385 | L | 48.2 | Very low | 60.9 | Low | 169 Ų | 169 | 115.1 Ų | 115.1 | 89% | 0.885 | 65% | 0.647 | S | S | * | * | trans | -79.9 | 44.8 | 169.1 | -73.9 | 170.1 | 0 | 0 | 0 | 112.7 | A383 | A383-L385 PolarHBondContact O-N 3.43Š| ||
| 386 | T | 48.5 | Very low | 60.2 | Low | 110 Ų | 110 | 115.5 Ų | 115.5 | 68% | 0.675 | 66% | 0.655 | S | S | * | * | trans | -126.7 | 117.3 | 175.9 | 4.7 | 0 | 0 | 0 | 0 | 110.9 | S384 K388 | S384-T386 PolarHBondContact O-N 2.81Å; S384-T386 VanDerWaalsContact O-N 3.11Å; T386-K388 PolarHBondContact O-N 3.27Å | ||
| 387 | P | 50.5 | Low | 59.3 | Low | 131 Ų | 131 | 111 Ų | 111 | 85% | 0.851 | 65% | 0.654 | S | S | * | * | trans | -84.9 | 85.7 | -176.6 | 33.9 | -31.2 | 0 | 0 | 0 | 109.1 | ||||
| 388 | K | 40.5 | Very low | 58.7 | Low | 192 Ų | 192 | 108.4 Ų | 108.4 | 84% | 0.835 | 65% | 0.65 | S | S | * | * | trans | -134.6 | 103.6 | 168.1 | -87.1 | 170 | -178.6 | 169.6 | 0 | 110.7 | T386 | T386-K388 PolarHBondContact O-N 3.27Š| ||
| 389 | G | 43.5 | Very low | 58.3 | Low | 64 Ų | 64 | 109 Ų | 109 | 66% | 0.66 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 81.8 | 100.5 | 146.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 390 | L | 49.7 | Very low | 58 | Low | 184 Ų | 184 | 114.5 Ų | 114.5 | 96% | 0.963 | 66% | 0.659 | S | S | * | * | trans | 39.4 | 82.9 | 145.4 | -72.7 | 150.1 | 0 | 0 | 0 | 116 | ||||
| 391 | N | 47.9 | Very low | 58 | Low | 125 Ų | 125 | 113.9 Ų | 113.9 | 67% | 0.668 | 66% | 0.659 | S | S | * | * | trans | -75.7 | 138.6 | 177 | -77.5 | -23.3 | 0 | 0 | 0 | 113.1 | A393 | N391-A393 HydrophobicContact CB-CB 3.83Å; N391-A393 PolarHBondContact O-N 2.85Å | ||
| 392 | P | 54.4 | Low | 58.3 | Low | 126 Ų | 126 | 111.2 Ų | 111.2 | 82% | 0.818 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -77.9 | 49.2 | 164.4 | 35.9 | -34.2 | 0 | 0 | 0 | 110.8 | ||
| 393 | A | 61.3 | Low | 58.4 | Low | 79 Ų | 79 | 109 Ų | 109 | 65% | 0.653 | 64% | 0.643 | S | S | * | * | trans | -116.3 | 42 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N391 | N391-A393 HydrophobicContact CB-CB 3.83Å; N391-A393 PolarHBondContact O-N 2.85Å | ||
| 394 | M | 56.9 | Low | 58.7 | Low | 87 Ų | 87 | 115.2 Ų | 115.2 | 43% | 0.429 | 65% | 0.649 | S | S | . | * | trans | -114.3 | 136.3 | 173.7 | -71.5 | -166.9 | -169.1 | 0 | 0 | 110.1 | L398 Q399 V402 | M394-L398 HydrophobicContact CB-CB 4.37Å; M394-L398 HydrophobicContact CB-CD2 4.38Å; M394-L398 HydrophobicContact CE-CD2 4.21Å; M394-L398 HydrophobicContact CG-CD2 3.91Å; M394-L398 HydrophobicContact SD-CD2 3.4Å; M394-L398 WeakPolarHBondContact SD-CD2 3.36Å; M394-Q399 HydrophobicContact CB-CG 3.55Å; M394-Q399 PolarHBondContact O-NE2 3.16Å; M394-V402 HydrophobicContact CE-CG2 4.18Å; M394-V402 HydrophobicContact SD-CB 4.4Å; M394-V402 HydrophobicContact SD-CG2 3.89Å | ||
| 395 | S | 70.1 | Confident | 59.1 | Low | 66 Ų | 66 | 115.2 Ų | 115.2 | 46% | 0.462 | 65% | 0.646 | S | S | . | * | trans | -56.3 | 150.2 | 170.7 | 74.6 | 0 | 0 | 0 | 0 | 109.8 | A397 L398 Q399 | S395-A397 PolarHBondContact O-N 3.09Å; S395-L398 PolarHBondContact O-N 3.37Å; S395-L398 WeakPolarHBondContact OG-CB 3.42Å; S395-L398 PolarHBondContact OG-N 2.9Å; S395-Q399 PolarHBondContact O-N 3.26Å | ||
| 396 | P | 68.4 | Low | 59.4 | Low | 103 Ų | 103 | 111 Ų | 111 | 67% | 0.669 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -54.9 | -26.8 | -179.7 | -27.6 | 34.8 | 0 | 0 | 0 | 113.9 | R400 | P396-R400 WeakPolarHBondContact O-CG 3.32Å; P396-R400 PolarHBondContact O-N 2.96Å |
| 397 | A | 64.8 | Low | 59.6 | Low | 73 Ų | 73 | 110.3 Ų | 110.3 | 60% | 0.603 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.5 | -39 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S395 R400 L401 | S395-A397 PolarHBondContact O-N 3.09Å; A397-R400 PolarHBondContact O-N 2.87Å; A397-L401 PolarHBondContact O-N 3.06Å |
| 398 | L | 66.5 | Low | 59.9 | Low | 86 Ų | 86 | 111.7 Ų | 111.7 | 45% | 0.45 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -78.8 | -33.9 | -177.4 | -148.5 | 142.3 | 0 | 0 | 0 | 111.5 | M394 S395 R400 L401 V402 | M394-L398 HydrophobicContact CB-CB 4.37Å; M394-L398 HydrophobicContact CB-CD2 4.38Å; M394-L398 HydrophobicContact CE-CD2 4.21Å; M394-L398 HydrophobicContact CG-CD2 3.91Å; M394-L398 HydrophobicContact SD-CD2 3.4Å; M394-L398 WeakPolarHBondContact SD-CD2 3.36Å; S395-L398 PolarHBondContact O-N 3.37Å; S395-L398 WeakPolarHBondContact OG-CB 3.42Å; S395-L398 PolarHBondContact OG-N 2.9Å; L398-R400 VanDerWaalsContact C-N 3.31Å; L398-R400 PolarHBondContact O-N 3.47Å; L398-L401 PolarHBondContact O-N 3.43Å; L398-V402 HydrophobicContact CD2-CG2 4.04Å; L398-V402 WeakPolarHBondContact O-CG2 3.33Å; L398-V402 PolarHBondContact O-N 3.42Å |
| 399 | Q | 68.7 | Low | 60.5 | Low | 94 Ų | 94 | 113.3 Ų | 113.3 | 44% | 0.439 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -57.7 | -44.4 | 168.4 | -70.9 | -176.5 | -7 | 0 | 0 | 111.6 | M394 S395 L401 V402 S403 | M394-Q399 HydrophobicContact CB-CG 3.55Å; M394-Q399 PolarHBondContact O-NE2 3.16Å; S395-Q399 PolarHBondContact O-N 3.26Å; Q399-L401 VanDerWaalsContact C-N 3.32Å; Q399-L401 PolarHBondContact O-N 2.98Å; Q399-V402 PolarHBondContact O-N 3.13Å; Q399-S403 VanDerWaalsContact O-CB 3.32Å; Q399-S403 WeakPolarHBondContact O-CB 3.42Å; Q399-S403 PolarHBondContact O-N 3.12Å; Q399-S403 PolarHBondContact O-OG 3.43Å |
| 400 | R | 69.4 | Low | 61 | Low | 197 Ų | 197 | 116 Ų | 116 | 74% | 0.743 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.5 | -35.2 | 178.6 | -80.2 | 178.2 | 152.2 | -176.8 | -6.6 | 112.8 | P396 A397 L398 R404 | P396-R400 WeakPolarHBondContact O-CG 3.32Å; P396-R400 PolarHBondContact O-N 2.96Å; A397-R400 PolarHBondContact O-N 2.87Å; L398-R400 VanDerWaalsContact C-N 3.31Å; L398-R400 PolarHBondContact O-N 3.47Å; R400-R404 WeakPolarHBondContact O-CD 3.48Å; R400-R404 WeakPolarHBondContact O-CG 3.45Å; R400-R404 PolarHBondContact O-N 3.24Å |
| 401 | L | 71.2 | Confident | 61.1 | Low | 103 Ų | 103 | 112.1 Ų | 112.1 | 54% | 0.539 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.3 | -48.4 | 177 | -170.1 | 148.2 | 0 | 0 | 0 | 111.1 | A397 L398 Q399 S403 R404 T405 | A397-L401 PolarHBondContact O-N 3.06Å; L398-L401 PolarHBondContact O-N 3.43Å; Q399-L401 VanDerWaalsContact C-N 3.32Å; Q399-L401 PolarHBondContact O-N 2.98Å; L401-S403 VanDerWaalsContact C-N 3.34Å; L401-S403 PolarHBondContact O-N 3.45Å; L401-R404 CarbonylContact O-C 3.59Å; L401-R404 WeakPolarHBondContact O-CA 3.48Å; L401-R404 WeakPolarHBondContact O-CB 3.22Å; L401-R404 PolarHBondContact O-N 3.45Å; L401-T405 HydrophobicContact CD2-CG2 4.01Å; L401-T405 WeakPolarHBondContact O-CG2 3.41Å; L401-T405 PolarHBondContact O-N 3.42Å; L401-T405 PolarHBondContact O-OG1 3.18Å |
| 402 | V | 69.3 | Low | 61.5 | Low | 58 Ų | 58 | 116.7 Ų | 116.7 | 35% | 0.352 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.7 | -39.6 | 179.4 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | M394 L398 Q399 R404 T405 A406 | M394-V402 HydrophobicContact CE-CG2 4.18Å; M394-V402 HydrophobicContact SD-CB 4.4Å; M394-V402 HydrophobicContact SD-CG2 3.89Å; L398-V402 HydrophobicContact CD2-CG2 4.04Å; L398-V402 WeakPolarHBondContact O-CG2 3.33Å; L398-V402 PolarHBondContact O-N 3.42Å; Q399-V402 PolarHBondContact O-N 3.13Å; V402-R404 PolarHBondContact O-N 3.42Å; V402-T405 WeakPolarHBondContact CA-OG1 3.38Å; V402-T405 PolarHBondContact O-N 2.64Å; V402-T405 PolarHBondContact O-OG1 2.94Å; V402-A406 VanDerWaalsContact O-CB 3.27Å; V402-A406 WeakPolarHBondContact O-CB 3.44Å; V402-A406 PolarHBondContact O-N 3.46Å |
| 403 | S | 67.7 | Low | 61.7 | Low | 89 Ų | 89 | 114.4 Ų | 114.4 | 62% | 0.622 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.4 | -33.1 | 173.2 | -53.4 | 0 | 0 | 0 | 0 | 112.4 | Q399 L401 | Q399-S403 VanDerWaalsContact O-CB 3.32Å; Q399-S403 WeakPolarHBondContact O-CB 3.42Å; Q399-S403 PolarHBondContact O-N 3.12Å; Q399-S403 PolarHBondContact O-OG 3.43Å; L401-S403 VanDerWaalsContact C-N 3.34Å; L401-S403 PolarHBondContact O-N 3.45Å |
| 404 | R | 62.1 | Low | 61.4 | Low | 212 Ų | 212 | 115.9 Ų | 115.9 | 80% | 0.8 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -80.6 | -30.3 | 177.4 | -73.9 | 173.6 | 71.5 | -167.9 | 3.2 | 112.8 | R400 L401 V402 | R400-R404 WeakPolarHBondContact O-CD 3.48Å; R400-R404 WeakPolarHBondContact O-CG 3.45Å; R400-R404 PolarHBondContact O-N 3.24Å; L401-R404 CarbonylContact O-C 3.59Å; L401-R404 WeakPolarHBondContact O-CA 3.48Å; L401-R404 WeakPolarHBondContact O-CB 3.22Å; L401-R404 PolarHBondContact O-N 3.45Å; V402-R404 PolarHBondContact O-N 3.42Å |
| 405 | T | 60.5 | Low | 61.3 | Low | 72 Ų | 72 | 122 Ų | 122 | 44% | 0.442 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -91.9 | -16.5 | -176.3 | 57.5 | 0 | 0 | 0 | 0 | 114 | L401 V402 | L401-T405 HydrophobicContact CD2-CG2 4.01Å; L401-T405 WeakPolarHBondContact O-CG2 3.41Å; L401-T405 PolarHBondContact O-N 3.42Å; L401-T405 PolarHBondContact O-OG1 3.18Å; V402-T405 WeakPolarHBondContact CA-OG1 3.38Å; V402-T405 PolarHBondContact O-N 2.64Å; V402-T405 PolarHBondContact O-OG1 2.94Å |
| 406 | A | 55.5 | Low | 60.5 | Low | 81 Ų | 81 | 123.1 Ų | 123.1 | 67% | 0.669 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -80.1 | -11.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V402 K408 | V402-A406 VanDerWaalsContact O-CB 3.27Å; V402-A406 WeakPolarHBondContact O-CB 3.44Å; V402-A406 PolarHBondContact O-N 3.46Å; A406-K408 PolarHBondContact O-N 2.94Å |
| 407 | S | 52.8 | Low | 59.8 | Low | 95 Ų | 95 | 122.2 Ų | 122.2 | 66% | 0.664 | 64% | 0.637 | S | S | * | * | trans | -95 | 82 | 172.1 | -164.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 408 | K | 56.7 | Low | 58.9 | Low | 159 Ų | 159 | 127.8 Ų | 127.8 | 69% | 0.691 | 64% | 0.644 | S | S | * | * | trans | -110.3 | 131.3 | 164.4 | -61.5 | -175.1 | -176 | -175 | 0 | 106.8 | A406 | A406-K408 PolarHBondContact O-N 2.94Š| ||
| 409 | Y | 53.5 | Low | 58.1 | Low | 226 Ų | 226 | 129.4 Ų | 129.4 | 89% | 0.886 | 66% | 0.657 | S | S | * | * | trans | 85 | 62.8 | 178.3 | -54.7 | -83.7 | 0 | 0 | 0 | 117.9 | ||||
| 410 | T | 52.8 | Low | 57 | Low | 120 Ų | 120 | 131 Ų | 131 | 74% | 0.736 | 68% | 0.675 | S | S | * | * | trans | -142.3 | 111.5 | 131.2 | 51 | 0 | 0 | 0 | 0 | 108.8 | R412 | T410-R412 VanDerWaalsContact C-N 3.28Å; T410-R412 PolarHBondContact O-N 3.02Å | ||
| 411 | D | 51.4 | Low | 55.4 | Low | 103 Ų | 103 | 126.8 Ų | 126.8 | 55% | 0.551 | 68% | 0.676 | S | S | * | * | trans | -75.4 | 78.3 | -175.7 | -157.8 | -24.8 | 0 | 0 | 0 | 111.1 | A413 L414 | D411-A413 VanDerWaalsContact C-N 3.29Å; D411-L414 WeakPolarHBondContact OD1-CB 3.27Å; D411-L414 VanDerWaalsContact OD1-CG 3.26Å; D411-L414 WeakPolarHBondContact OD1-CG 3.26Å; D411-L414 PolarHBondContact OD1-N 3.25Å; D411-L414 VanDerWaalsContact OD1-N 3.08Å; D411-L414 WeakPolarHBondContact OD2-CD1 3.4Å; D411-L414 VanDerWaalsContact OD2-CG 3.31Å; D411-L414 WeakPolarHBondContact OD2-CG 2.98Å | ||
| 412 | R | 57.1 | Low | 54.4 | Low | 222 Ų | 222 | 127.8 Ų | 127.8 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -15.5 | -179.3 | -164 | 155.2 | 177.7 | 155.7 | -3.6 | 112.4 | T410 | T410-R412 VanDerWaalsContact C-N 3.28Å; T410-R412 PolarHBondContact O-N 3.02Å |
| 413 | A | 58.6 | Low | 52.8 | Low | 77 Ų | 77 | 130 Ų | 130 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | D411 R415 A416 | D411-A413 VanDerWaalsContact C-N 3.29Å; A413-R415 VanDerWaalsContact C-N 3.29Å; A413-R415 PolarHBondContact O-N 3.46Å; A413-A416 PolarHBondContact O-N 3.42Å |
| 414 | L | 54.4 | Low | 51.4 | Low | 110 Ų | 110 | 137.1 Ų | 137.1 | 58% | 0.576 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -71.9 | -19.7 | 177.5 | -67.8 | -172.1 | 0 | 0 | 0 | 114.1 | D411 A416 S417 | D411-L414 WeakPolarHBondContact OD1-CB 3.27Å; D411-L414 VanDerWaalsContact OD1-CG 3.26Å; D411-L414 WeakPolarHBondContact OD1-CG 3.26Å; D411-L414 PolarHBondContact OD1-N 3.25Å; D411-L414 VanDerWaalsContact OD1-N 3.08Å; D411-L414 WeakPolarHBondContact OD2-CD1 3.4Å; D411-L414 VanDerWaalsContact OD2-CG 3.31Å; D411-L414 WeakPolarHBondContact OD2-CG 2.98Å; L414-A416 VanDerWaalsContact C-N 3.32Å; L414-S417 PolarHBondContact O-OG 3.25Å |
| 415 | R | 55.8 | Low | 50.2 | Low | 217 Ų | 217 | 132.8 Ų | 132.8 | 82% | 0.819 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -78.6 | -17.3 | 176.3 | -160.3 | 169 | -179.4 | 137.8 | -1 | 113.2 | A413 | A413-R415 VanDerWaalsContact C-N 3.29Å; A413-R415 PolarHBondContact O-N 3.46Å |
| 416 | A | 53.5 | Low | 49.2 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -83.5 | -11 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A413 L414 | A413-A416 PolarHBondContact O-N 3.42Å; L414-A416 VanDerWaalsContact C-N 3.32Å |
| 417 | S | 52.4 | Low | 48.5 | Very low | 84 Ų | 84 | 138.6 Ų | 138.6 | 59% | 0.587 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -93.4 | -2.6 | -179.6 | 54.9 | 0 | 0 | 0 | 0 | 114.7 | L414 | L414-S417 PolarHBondContact O-OG 3.25Š|
| 418 | Y | 47.5 | Very low | 48 | Very low | 191 Ų | 191 | 141.5 Ų | 141.5 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -96.5 | 100.7 | 172.7 | -73.9 | -81.8 | 0 | 0 | 0 | 110.5 | ||
| 419 | T | 48.3 | Very low | 47.1 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | -24.6 | 127.3 | 165.7 | 48.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 420 | P | 45.4 | Very low | 46.4 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -97.2 | 112.9 | 141.5 | 31.6 | -23.3 | 0 | 0 | 0 | 109.3 | ||||
| 421 | S | 37.1 | Very low | 46.3 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -63.1 | 162.2 | 169 | -74.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 422 | P | 48.7 | Very low | 45.6 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -101.6 | 147.5 | -137.4 | 36.9 | -33.9 | 0 | 0 | 0 | 114.8 | ||||
| 423 | A | 36.1 | Very low | 44.7 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | trans | -105.9 | 121.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 424 | R | 38.6 | Very low | 43.6 | Very low | 238 Ų | 238 | 134.1 Ų | 134.1 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | -61.4 | 130.1 | -176.6 | -176.3 | -172.6 | -79.8 | -152.2 | -4 | 112.1 | ||||
| 425 | S | 36.4 | Very low | 42.9 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -147 | 123.8 | 149.8 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 426 | T | 40.3 | Very low | 42 | Very low | 93 Ų | 93 | 136 Ų | 136 | 57% | 0.571 | 80% | 0.797 | S | S | * | * | trans | -74.6 | 144.3 | -177.3 | 47.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 427 | H | 41 | Very low | 41.3 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | -172.5 | 123.8 | 118 | -94.3 | -66.8 | 0 | 0 | 0 | 110.7 | |||||
| 428 | L | 41.3 | Very low | 41.2 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | -63.6 | 149 | 170.3 | -66.9 | 120.8 | 0 | 0 | 0 | 111.4 | ||||
| 429 | K | 39.1 | Very low | 40.9 | Very low | 209 Ų | 209 | 137.3 Ų | 137.3 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | 178.1 | 102.8 | 131.1 | -93.3 | 157.3 | -170.8 | -171.4 | 0 | 111.2 | ||||
| 430 | T | 38.7 | Very low | 40.1 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | trans | -77.4 | 159.1 | 142.1 | 27.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 431 | P | 51.3 | Low | 40 | Very low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | cis | -153.5 | -179.3 | 49.7 | 41.4 | -18.9 | 0 | 0 | 0 | 118.8 | ||||
| 432 | A | 36.4 | Very low | 40.1 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | trans | 87.2 | 99.9 | 139.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 433 | S | 37.2 | Very low | 39.7 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | 0.5 | 131.9 | 129.4 | -164.7 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 434 | G | 36.3 | Very low | 40.2 | Very low | 75 Ų | 75 | 136.8 Ų | 136.8 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -173.2 | 101.8 | 162 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 435 | L | 39.1 | Very low | 40.3 | Very low | 174 Ų | 174 | 129 Ų | 129 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -76.5 | 127.4 | 168.9 | -78.5 | 160.4 | 0 | 0 | 0 | 109.6 | ||||
| 436 | Q | 38.2 | Very low | 40.5 | Very low | 193 Ų | 193 | 128.4 Ų | 128.4 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -163.4 | 120.2 | 155.7 | -107.9 | 169.9 | 44 | 0 | 0 | 109.9 | ||||
| 437 | T | 38.9 | Very low | 40.4 | Very low | 136 Ų | 136 | 129 Ų | 129 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -82.6 | 148 | 157.5 | 43.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 438 | P | 49.4 | Very low | 40.3 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | -152.6 | 157.7 | 86.2 | 36.1 | -15.2 | 0 | 0 | 0 | 117.2 | |||||
| 439 | T | 40.2 | Very low | 40.4 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | trans | 21.5 | 115.6 | 139.4 | -49 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 440 | S | 33.1 | Very low | 40.4 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | 175.3 | 136.4 | 124.8 | -172.8 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 441 | T | 42.4 | Very low | 40.6 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | trans | -76.3 | 148.5 | 171 | -37.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 442 | P | 39.3 | Very low | 40.2 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | -145.8 | 152.7 | 95.7 | 35.3 | -17.1 | 0 | 0 | 0 | 114.7 | |||||
| 443 | A | 39.6 | Very low | 41.1 | Very low | 87 Ų | 87 | 127.9 Ų | 127.9 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | trans | -75.5 | 171.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 444 | P | 47.1 | Very low | 41.7 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | cis | -134.8 | 163.6 | 6.6 | 38.3 | -19.6 | 0 | 0 | 0 | 115 | ||||
| 445 | G | 41.5 | Very low | 42.7 | Very low | 74 Ų | 74 | 130.1 Ų | 130.1 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 114.9 | 133.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 446 | S | 40.8 | Very low | 43.7 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 76 | 86.9 | 174.1 | -165.9 | 0 | 0 | 0 | 0 | 116.4 | T448 | S446-T448 PolarHBondContact O-N 3.02Å; S446-T448 VanDerWaalsContact O-N 3.08Å | ||
| 447 | A | 37.3 | Very low | 44.7 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -69.1 | 101.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | R449 | A447-R449 PolarHBondContact O-N 3.31Š| ||
| 448 | T | 39.3 | Very low | 45.8 | Very low | 127 Ų | 127 | 119.4 Ų | 119.4 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | trans | -68.2 | 107.1 | 163.2 | -52.3 | 0 | 0 | 0 | 0 | 108 | S446 T450 | S446-T448 PolarHBondContact O-N 3.02Å; S446-T448 VanDerWaalsContact O-N 3.08Å; T448-T450 PolarHBondContact O-N 3.42Å | ||
| 449 | R | 43.8 | Very low | 46.4 | Very low | 231 Ų | 231 | 121.3 Ų | 121.3 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | trans | -69.9 | 113.3 | 176.6 | -174.2 | 175.7 | 163.2 | -168.5 | -4.6 | 109.2 | A447 | A447-R449 PolarHBondContact O-N 3.31Š| ||
| 450 | T | 39 | Very low | 47.3 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 63% | 0.632 | 74% | 0.743 | S | S | * | * | trans | -58.8 | 139 | 163.9 | 46.7 | 0 | 0 | 0 | 0 | 109.9 | T448 L452 | T448-T450 PolarHBondContact O-N 3.42Å; T450-L452 PolarHBondContact O-N 3.2Å | ||
| 451 | P | 42.7 | Very low | 48.4 | Very low | 126 Ų | 126 | 118.7 Ų | 118.7 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | -73 | 102.1 | 172.6 | 29.6 | -30.5 | 0 | 0 | 0 | 108.5 | T453 | P451-T453 PolarHBondContact O-N 2.93Š| ||
| 452 | L | 43.7 | Very low | 49.3 | Very low | 140 Ų | 140 | 116.6 Ų | 116.6 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | -81.2 | 113.6 | 167.2 | -135.8 | 87.9 | 0 | 0 | 0 | 107.5 | T450 Q454 | T450-L452 PolarHBondContact O-N 3.2Å; L452-Q454 PolarHBondContact O-N 2.97Å | ||
| 453 | T | 54 | Low | 50.4 | Low | 139 Ų | 139 | 117.2 Ų | 117.2 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | trans | -60.5 | 114.8 | 169.7 | -45.4 | 0 | 0 | 0 | 0 | 108.2 | P451 | P451-T453 PolarHBondContact O-N 2.93Š| ||
| 454 | Q | 51.2 | Low | 51.3 | Low | 121 Ų | 121 | 120.9 Ų | 120.9 | 57% | 0.565 | 72% | 0.717 | S | S | * | * | trans | -78 | 128.5 | 179.6 | -75.5 | -178.1 | -30.1 | 0 | 0 | 110.5 | L452 | L452-Q454 PolarHBondContact O-N 2.97Š| ||
| 455 | D | 55.7 | Low | 52 | Low | 128 Ų | 128 | 121 Ų | 121 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | trans | -80.3 | 120.5 | 174.4 | -145 | -0 | 0 | 0 | 0 | 108.9 | A457 S458 | D455-A457 PolarHBondContact O-N 3.31Å; D455-S458 PolarHBondContact O-N 3.22Å | ||
| 456 | P | 59.8 | Low | 53.2 | Low | 134 Ų | 134 | 124.6 Ų | 124.6 | 87% | 0.87 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -1.9 | -170.8 | 27.7 | -35.1 | 0 | 0 | 0 | 114.6 | ||
| 457 | A | 59.5 | Low | 54.4 | Low | 88 Ų | 88 | 124.9 Ų | 124.9 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -4.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D455 I459 | D455-A457 PolarHBondContact O-N 3.31Å; A457-I459 PolarHBondContact O-N 2.72Å |
| 458 | S | 62.8 | Low | 55.8 | Low | 56 Ų | 56 | 124.7 Ų | 124.7 | 39% | 0.392 | 71% | 0.705 | S | S | . | * | trans | -81.1 | 109.1 | -178.5 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | D455 | D455-S458 PolarHBondContact O-N 3.22Š| ||
| 459 | I | 61.5 | Low | 57 | Low | 154 Ų | 154 | 129.8 Ų | 129.8 | 79% | 0.79 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -84.4 | -10 | -174.5 | -149.4 | 163.3 | 0 | 0 | 0 | 113.9 | A457 | A457-I459 PolarHBondContact O-N 2.72Š|
| 460 | T | 59.2 | Low | 58.3 | Low | 100 Ų | 100 | 128.5 Ų | 128.5 | 61% | 0.613 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -105.4 | -17.5 | -171.1 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | N462 | T460-N462 PolarHBondContact O-N 3.33Š|
| 461 | D | 55.5 | Low | 59.9 | Low | 98 Ų | 98 | 131 Ų | 131 | 52% | 0.524 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.2 | -12.7 | -163.9 | -151.3 | 19.1 | 0 | 0 | 0 | 114.6 | ||
| 462 | N | 61.5 | Low | 60.8 | Low | 81 Ų | 81 | 128.5 Ų | 128.5 | 43% | 0.433 | 70% | 0.697 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.5 | 5.4 | -178.7 | -73.1 | -61.7 | 0 | 0 | 0 | 114.4 | T460 L464 Q465 | T460-N462 PolarHBondContact O-N 3.33Å; N462-L464 VanDerWaalsContact C-N 3.25Å; N462-L464 PolarHBondContact O-N 3.39Å; N462-Q465 PolarHBondContact O-N 3.25Å; N462-Q465 PolarHBondContact OD1-NE2 3.28Å; N462-Q465 PolarHBondContact OD1-OE1 3.06Å |
| 463 | L | 62.3 | Low | 62 | Low | 134 Ų | 134 | 126 Ų | 126 | 70% | 0.702 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -10.2 | -173 | -67 | 174 | 0 | 0 | 0 | 114.7 | ||
| 464 | L | 58.5 | Low | 62.6 | Low | 164 Ų | 164 | 124.8 Ų | 124.8 | 86% | 0.859 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 5.4 | -179.9 | -69.8 | 166.7 | 0 | 0 | 0 | 113.8 | N462 L466 | N462-L464 VanDerWaalsContact C-N 3.25Å; N462-L464 PolarHBondContact O-N 3.39Å; L464-L466 VanDerWaalsContact C-N 3.27Å; L464-L466 PolarHBondContact O-N 3.08Å |
| 465 | Q | 62 | Low | 63.2 | Low | 131 Ų | 131 | 126.2 Ų | 126.2 | 61% | 0.612 | 68% | 0.684 | S | S | * | * | trans | -83.4 | 73.6 | 177.2 | -69 | 171.5 | 17 | 0 | 0 | 110.6 | N462 | N462-Q465 PolarHBondContact O-N 3.25Å; N462-Q465 PolarHBondContact OD1-NE2 3.28Å; N462-Q465 PolarHBondContact OD1-OE1 3.06Å | ||
| 466 | L | 67.9 | Low | 63.2 | Low | 149 Ų | 149 | 132 Ų | 132 | 78% | 0.78 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 141.1 | 173 | -61.6 | 176.4 | 0 | 0 | 0 | 110 | L464 A468 | L464-L466 VanDerWaalsContact C-N 3.27Å; L464-L466 PolarHBondContact O-N 3.08Å; L466-A468 PolarHBondContact O-N 3.2Å |
| 467 | P | 66.1 | Low | 63.4 | Low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 136.1 | 174.1 | 24.4 | -31.7 | 0 | 0 | 0 | 110 | R469 | P467-R469 PolarHBondContact O-N 3.27Å; P467-R469 VanDerWaalsContact O-N 3.13Å |
| 468 | A | 66.6 | Low | 63.6 | Low | 100 Ų | 100 | 134.3 Ų | 134.3 | 83% | 0.826 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 120.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | L466 R470 | L466-A468 PolarHBondContact O-N 3.2Å; A468-R470 PolarHBondContact O-N 3.01Å |
| 469 | R | 64.4 | Low | 63.6 | Low | 234 Ų | 234 | 138.6 Ų | 138.6 | 88% | 0.883 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 133.5 | 173.2 | -79.2 | -177.3 | 167.2 | -170.5 | -3.1 | 109 | P467 K471 | P467-R469 PolarHBondContact O-N 3.27Å; P467-R469 VanDerWaalsContact O-N 3.13Å; R469-K471 PolarHBondContact O-N 3.49Å |
| 470 | R | 70.2 | Confident | 63.7 | Low | 204 Ų | 204 | 137.7 Ų | 137.7 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 134.5 | 171.7 | -65.7 | -171.9 | 178.5 | -171.2 | -1.3 | 109.3 | A468 | A468-R470 PolarHBondContact O-N 3.01Š|
| 471 | K | 72.4 | Confident | 64 | Low | 157 Ų | 157 | 140.1 Ų | 140.1 | 68% | 0.683 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 147.7 | -178.3 | -67 | -178.9 | -179.3 | 178.4 | 0 | 108.9 | R469 S473 D474 | R469-K471 PolarHBondContact O-N 3.49Å; K471-S473 PolarHBondContact O-N 3.32Å; K471-S473 VanDerWaalsContact O-N 3.09Å; K471-D474 WeakPolarHBondContact O-CB 3.31Å; K471-D474 PolarHBondContact O-N 3.03Å |
| 472 | A | 61.2 | Low | 64.6 | Low | 73 Ų | 73 | 142.9 Ų | 142.9 | 60% | 0.603 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -62.6 | -15.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D474 F475 | A472-D474 PolarHBondContact O-N 3.08Å; A472-F475 PolarHBondContact O-N 2.88Å |
| 473 | S | 70.4 | Confident | 64.8 | Low | 86 Ų | 86 | 147.3 Ų | 147.3 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -67.7 | -16.4 | 171.8 | 55.4 | 0 | 0 | 0 | 0 | 114 | K471 F475 | K471-S473 PolarHBondContact O-N 3.32Å; K471-S473 VanDerWaalsContact O-N 3.09Å; S473-F475 PolarHBondContact O-N 3.38Å |
| 474 | D | 65.4 | Low | 65 | Low | 114 Ų | 114 | 148.3 Ų | 148.3 | 61% | 0.61 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -83 | -0.9 | 177.8 | -61.6 | -17.5 | 0 | 0 | 0 | 112 | K471 A472 | K471-D474 WeakPolarHBondContact O-CB 3.31Å; K471-D474 PolarHBondContact O-N 3.03Å; A472-D474 PolarHBondContact O-N 3.08Å |
| 475 | F | 63.7 | Low | 65.6 | Low | 152 Ų | 152 | 147 Ų | 147 | 67% | 0.667 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -124.9 | 7.2 | -175.8 | -73.4 | -81.6 | 0 | 0 | 0 | 114.3 | A472 S473 | A472-F475 PolarHBondContact O-N 2.88Å; S473-F475 PolarHBondContact O-N 3.38Å |
| 476 | F | 56.4 | Low | 65.9 | Low | 250 Ų | 250 | 148.5 Ų | 148.5 | 100% | 1.096 | 75% | 0.751 | S | S | * | * | trans | -125 | 0 | 174.6 | -78.3 | -74 | 0 | 0 | 0 | 111.6 |
Retrieved 476 of 476 residues in 156 ms
(Link to these results)