| 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 | 31.7 | Very low | 31.9 | Very low | 248 Ų | 248 | 153.4 Ų | 153.4 | 100% | 1.222 | 88% | 0.884 | S | S | * | * | 0 | 136.3 | 0 | -74.5 | 168.4 | 165.9 | 0 | 0 | 108.6 | |||||
| 2 | G | 32.1 | Very low | 32 | Very low | 77 Ų | 77 | 148.9 Ų | 148.9 | 79% | 0.794 | 88% | 0.879 | S | S | * | * | trans | 66.7 | 141.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 3 | R | 27.8 | Very low | 32.2 | Very low | 244 Ų | 244 | 143.2 Ų | 143.2 | 92% | 0.921 | 87% | 0.871 | S | S | * | * | cis | -133.4 | 147.5 | -0.4 | -71.3 | -179.9 | 175.6 | 137.3 | -0.9 | 110.4 | ||||
| 4 | T | 32.1 | Very low | 32 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 79% | 0.791 | 86% | 0.862 | S | S | * | * | trans | -56.7 | 143.1 | 160.8 | 37.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 5 | R | 35.4 | Very low | 32.6 | Very low | 245 Ų | 245 | 142.1 Ų | 142.1 | 93% | 0.925 | 86% | 0.864 | S | S | * | * | trans | -106.1 | 117.7 | 156.6 | -74 | -173.9 | 70.1 | 177 | 1.1 | 107.7 | ||||
| 6 | E | 31.4 | Very low | 33.2 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 88% | 0.883 | 85% | 0.852 | S | S | * | * | trans | -77.2 | 130.2 | 174.6 | -62.5 | 172.8 | 140.7 | 0 | 0 | 109.2 | ||||
| 7 | A | 31.3 | Very low | 33.5 | Very low | 99 Ų | 99 | 136 Ų | 136 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -154.9 | 44.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 8 | G | 29.4 | Very low | 34.1 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -72.7 | 159.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 9 | C | 30.3 | Very low | 34.3 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | trans | 72.9 | 58.8 | 171.7 | -54 | 0 | 0 | 0 | 0 | 118 | ||||
| 10 | V | 30.4 | Very low | 34.5 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | trans | -126.5 | 69.8 | 143.3 | -169.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 11 | A | 39.2 | Very low | 34.6 | Very low | 103 Ų | 103 | 121.5 Ų | 121.5 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -139.9 | 47 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 12 | A | 33.3 | Very low | 35.4 | Very low | 100 Ų | 100 | 114.5 Ų | 114.5 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -153.1 | 109.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 13 | G | 34.3 | Very low | 35.9 | Very low | 75 Ų | 75 | 113.9 Ų | 113.9 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | trans | 80.9 | 68.2 | 149.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 14 | V | 29.4 | Very low | 36.7 | Very low | 122 Ų | 122 | 106.8 Ų | 106.8 | 74% | 0.739 | 69% | 0.692 | S | S | * | * | trans | -131 | 89.1 | 145.8 | -174 | 0 | 0 | 0 | 0 | 109.5 | I16 | V14-I16 HydrophobicContact CG1-CB 4.23Å; V14-I16 HydrophobicContact CG1-CD1 4.14Å; V14-I16 HydrophobicContact CG1-CG1 4.04Å | ||
| 15 | V | 41.6 | Very low | 37.4 | Very low | 148 Ų | 148 | 107.5 Ų | 107.5 | 90% | 0.897 | 68% | 0.681 | S | S | * | * | trans | -108.4 | 71.8 | 161 | -175.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 16 | I | 41.9 | Very low | 37.9 | Very low | 131 Ų | 131 | 102.6 Ų | 102.6 | 67% | 0.672 | 66% | 0.663 | S | S | * | * | trans | -94.4 | 111 | 166.8 | -66.2 | 177.1 | 0 | 0 | 0 | 105.7 | V14 A20 | V14-I16 HydrophobicContact CG1-CB 4.23Å; V14-I16 HydrophobicContact CG1-CD1 4.14Å; V14-I16 HydrophobicContact CG1-CG1 4.04Å; I16-A20 HydrophobicContact CG2-CB 3.63Å | ||
| 17 | G | 37.3 | Very low | 38.8 | Very low | 49 Ų | 49 | 100.8 Ų | 100.8 | 51% | 0.505 | 66% | 0.658 | S | S | . | * | trans | -66.4 | 152.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113 | G19 A20 | G17-G19 PolarHBondContact O-N 3.12Å; G17-A20 WeakPolarHBondContact O-CB 3.34Å; G17-A20 PolarHBondContact O-N 3.09Å | ||
| 18 | A | 44.8 | Very low | 39.2 | Very low | 52 Ų | 52 | 99.1 Ų | 99.1 | 43% | 0.43 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -51.4 | -31.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A20 C21 Y22 | A18-A20 PolarHBondContact O-N 2.92Å; A18-C21 WeakPolarHBondContact O-CB 3.44Å; A18-C21 PolarHBondContact O-N 3.46Å; A18-Y22 PolarHBondContact O-N 3.03Å |
| 19 | G | 37.6 | Very low | 39.8 | Very low | 43 Ų | 43 | 105.6 Ų | 105.6 | 44% | 0.443 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -55.5 | -34 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G17 C21 Y22 C23 | G17-G19 PolarHBondContact O-N 3.12Å; G19-C21 VanDerWaalsContact C-N 3.32Å; G19-C21 PolarHBondContact O-N 3.21Å; G19-Y22 PolarHBondContact O-N 2.97Å; G19-C23 PolarHBondContact O-N 3.03Å; G19-C23 PolarHBondContact O-SG 3Å |
| 20 | A | 39.3 | Very low | 40.1 | Very low | 50 Ų | 50 | 102.1 Ų | 102.1 | 41% | 0.413 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.7 | -34 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I16 G17 A18 V24 | I16-A20 HydrophobicContact CG2-CB 3.63Å; G17-A20 WeakPolarHBondContact O-CB 3.34Å; G17-A20 PolarHBondContact O-N 3.09Å; A18-A20 PolarHBondContact O-N 2.92Å; A20-V24 WeakPolarHBondContact O-CG2 3.33Å; A20-V24 PolarHBondContact O-N 3.46Å |
| 21 | C | 36.6 | Very low | 40.6 | Very low | 95 Ų | 95 | 105.4 Ų | 105.4 | 64% | 0.642 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.9 | -42.4 | 176.1 | -163.2 | 0 | 0 | 0 | 0 | 110.9 | A18 G19 C23 V24 Y25 | A18-C21 WeakPolarHBondContact O-CB 3.44Å; A18-C21 PolarHBondContact O-N 3.46Å; G19-C21 VanDerWaalsContact C-N 3.32Å; G19-C21 PolarHBondContact O-N 3.21Å; C21-C23 PolarHBondContact O-N 3.36Å; C21-V24 PolarHBondContact O-N 2.9Å; C21-V24 VanDerWaalsContact O-N 3.15Å; C21-Y25 PolarHBondContact O-N 2.78Å |
| 22 | Y | 47.6 | Very low | 40.6 | Very low | 100 Ų | 100 | 107.6 Ų | 107.6 | 39% | 0.392 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.6 | -37.5 | 176.3 | -173.4 | -109.6 | 0 | 0 | 0 | 112.7 | A18 G19 V24 Y25 R26 V317 | A18-Y22 PolarHBondContact O-N 3.03Å; G19-Y22 PolarHBondContact O-N 2.97Å; Y22-V24 VanDerWaalsContact C-N 3.29Å; Y22-V24 PolarHBondContact O-N 3.15Å; Y22-Y25 HydrophobicContact CD2-CD1 4.24Å; Y22-Y25 HydrophobicContact CE2-CD1 4.15Å; Y22-Y25 PolarHBondContact O-N 3.24Å; Y22-R26 PolarHBondContact O-N 3.11Å; Y22-V317 HydrophobicContact CD1-CG1 4.03Å; Y22-V317 HydrophobicContact CE1-CG1 4.23Å |
| 23 | C | 43.3 | Very low | 40.9 | Very low | 64 Ų | 64 | 112.2 Ų | 112.2 | 43% | 0.432 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -59.6 | -38.5 | 172.1 | -67.5 | 0 | 0 | 0 | 0 | 112.6 | G19 C21 L27 | G19-C23 PolarHBondContact O-N 3.03Å; G19-C23 PolarHBondContact O-SG 3Å; C21-C23 PolarHBondContact O-N 3.36Å; C23-L27 WeakPolarHBondContact O-CB 3.35Å; C23-L27 WeakPolarHBondContact O-CD1 3.29Å; C23-L27 VanDerWaalsContact O-CG 3.25Å; C23-L27 WeakPolarHBondContact O-CG 3.37Å; C23-L27 PolarHBondContact O-N 3.19Å |
| 24 | V | 44.1 | Very low | 41 | Very low | 96 Ų | 96 | 116 Ų | 116 | 58% | 0.582 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71 | -43.9 | 175.3 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | A20 C21 Y22 R26 L27 A28 | A20-V24 WeakPolarHBondContact O-CG2 3.33Å; A20-V24 PolarHBondContact O-N 3.46Å; C21-V24 PolarHBondContact O-N 2.9Å; C21-V24 VanDerWaalsContact O-N 3.15Å; Y22-V24 VanDerWaalsContact C-N 3.29Å; Y22-V24 PolarHBondContact O-N 3.15Å; V24-R26 PolarHBondContact O-N 3.21Å; V24-L27 CarbonylContact O-C 3.56Å; V24-L27 PolarHBondContact O-N 3.18Å; V24-L27 VanDerWaalsContact O-N 3.16Å; V24-A28 WeakPolarHBondContact O-CB 3.16Å; V24-A28 PolarHBondContact O-N 3.15Å |
| 25 | Y | 47.8 | Very low | 41.4 | Very low | 144 Ų | 144 | 119.1 Ų | 119.1 | 57% | 0.565 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -55.6 | -50.2 | 176.4 | 177.7 | -100.4 | 0 | 0 | 0 | 112.1 | C21 Y22 L27 A28 W29 | C21-Y25 PolarHBondContact O-N 2.78Å; Y22-Y25 HydrophobicContact CD2-CD1 4.24Å; Y22-Y25 HydrophobicContact CE2-CD1 4.15Å; Y22-Y25 PolarHBondContact O-N 3.24Å; Y25-L27 VanDerWaalsContact C-N 3.28Å; Y25-L27 PolarHBondContact O-N 2.82Å; Y25-A28 PolarHBondContact O-N 3.34Å; Y25-A28 VanDerWaalsContact O-N 3.08Å; Y25-W29 PolarHBondContact O-N 3.47Å |
| 26 | R | 46 | Very low | 40.9 | Very low | 142 Ų | 142 | 120.2 Ų | 120.2 | 54% | 0.536 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63 | -32.5 | 178.1 | -168.9 | 179.2 | 66.8 | -177.3 | -2.5 | 112.7 | Y22 V24 G30 | Y22-R26 PolarHBondContact O-N 3.11Å; V24-R26 PolarHBondContact O-N 3.21Å; R26-G30 PolarHBondContact O-N 2.95Å |
| 27 | L | 48.9 | Very low | 40.3 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 79% | 0.785 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -78.1 | -19.8 | 175.3 | -74 | 170.9 | 0 | 0 | 0 | 113.8 | C23 V24 Y25 | C23-L27 WeakPolarHBondContact O-CB 3.35Å; C23-L27 WeakPolarHBondContact O-CD1 3.29Å; C23-L27 VanDerWaalsContact O-CG 3.25Å; C23-L27 WeakPolarHBondContact O-CG 3.37Å; C23-L27 PolarHBondContact O-N 3.19Å; V24-L27 CarbonylContact O-C 3.56Å; V24-L27 PolarHBondContact O-N 3.18Å; V24-L27 VanDerWaalsContact O-N 3.16Å; Y25-L27 VanDerWaalsContact C-N 3.28Å; Y25-L27 PolarHBondContact O-N 2.82Å |
| 28 | A | 39.3 | Very low | 40 | Very low | 65 Ų | 65 | 127.8 Ų | 127.8 | 54% | 0.537 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -97.4 | -29.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | V24 Y25 | V24-A28 WeakPolarHBondContact O-CB 3.16Å; V24-A28 PolarHBondContact O-N 3.15Å; Y25-A28 PolarHBondContact O-N 3.34Å; Y25-A28 VanDerWaalsContact O-N 3.08Å |
| 29 | W | 43.4 | Very low | 39.3 | Very low | 204 Ų | 204 | 132 Ų | 132 | 77% | 0.773 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -136.1 | -13 | -169.1 | -116.5 | -81.9 | 0 | 0 | 0 | 116 | Y25 R31 | Y25-W29 PolarHBondContact O-N 3.47Å; W29-R31 PolarHBondContact O-N 3.1Å |
| 30 | G | 37 | Very low | 39.1 | Very low | 56 Ų | 56 | 138 Ų | 138 | 58% | 0.577 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 54.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | R26 | R26-G30 PolarHBondContact O-N 2.95Š|
| 31 | R | 39.2 | Very low | 38.7 | Very low | 225 Ų | 225 | 143.3 Ų | 143.3 | 85% | 0.849 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.3 | -23.4 | -176.7 | -152 | 171.3 | -170.2 | -177.8 | 0.3 | 118 | W29 | W29-R31 PolarHBondContact O-N 3.1Š|
| 32 | D | 39.3 | Very low | 38.5 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 80% | 0.797 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -110.8 | 6.2 | -161.8 | -58.1 | -23 | 0 | 0 | 0 | 115.5 | ||
| 33 | E | 41 | Very low | 37.7 | Very low | 196 Ų | 196 | 150.9 Ų | 150.9 | 92% | 0.916 | 73% | 0.73 | S | S | * | * | trans | -118.9 | 59.4 | 179 | -69 | -172.9 | -173.5 | 0 | 0 | 112.5 | ||||
| 34 | N | 34.9 | Very low | 37 | Very low | 154 Ų | 154 | 153 Ų | 153 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | trans | -138 | 25.9 | 174.2 | -152 | 86.6 | 0 | 0 | 0 | 113.9 | ||||
| 35 | E | 38.7 | Very low | 36.2 | Very low | 189 Ų | 189 | 154.3 Ų | 154.3 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -132.2 | 77.5 | 167 | -76.6 | -169.9 | -178.9 | 0 | 0 | 110.6 | ||||
| 36 | K | 31 | Very low | 35.2 | Very low | 170 Ų | 170 | 153.7 Ų | 153.7 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | trans | -158.4 | 100.6 | 151 | -113.4 | 163.8 | -170.3 | 177.1 | 0 | 110.5 | ||||
| 37 | I | 29 | Very low | 34.3 | Very low | 139 Ų | 139 | 152.2 Ų | 152.2 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | -60 | 137.9 | 158 | -74.6 | 165.3 | 0 | 0 | 0 | 107.5 | D39 | I37-D39 HydrophobicContact CG2-CB 4.38Å; I37-D39 VanDerWaalsContact CG2-CG 3.45Å; I37-D39 VanDerWaalsContact CG2-OD2 3.23Å; I37-D39 WeakPolarHBondContact CG2-OD2 3.45Å | ||
| 38 | W | 30.4 | Very low | 33.4 | Very low | 201 Ų | 201 | 149.9 Ų | 149.9 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | trans | -120.3 | 87.5 | 167.1 | -70.4 | 93.6 | 0 | 0 | 0 | 106.9 | ||||
| 39 | D | 31.6 | Very low | 33 | Very low | 139 Ų | 139 | 155 Ų | 155 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | -84.2 | 115.1 | 161.1 | -59.8 | -42.5 | 0 | 0 | 0 | 106.4 | I37 | I37-D39 HydrophobicContact CG2-CB 4.38Å; I37-D39 VanDerWaalsContact CG2-CG 3.45Å; I37-D39 VanDerWaalsContact CG2-OD2 3.23Å; I37-D39 WeakPolarHBondContact CG2-OD2 3.45Å | ||
| 40 | E | 31.9 | Very low | 32.1 | Very low | 169 Ų | 169 | 151.9 Ų | 151.9 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -149.1 | 101.7 | 169.3 | -116.7 | 168.5 | -137 | 0 | 0 | 107.3 | ||||
| 41 | D | 32.3 | Very low | 31.6 | Very low | 162 Ų | 162 | 153 Ų | 153 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | -74 | 162.8 | 179.5 | -70.6 | -62.8 | 0 | 0 | 0 | 112.1 | ||||
| 42 | E | 32.5 | Very low | 31.1 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -63.3 | 153.7 | 161.8 | -55.4 | -177 | 156.5 | 0 | 0 | 108.9 | ||||
| 43 | E | 29.4 | Very low | 30.5 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | cis | -171.6 | 162.4 | 47.3 | -163.3 | -175.8 | -177.9 | 0 | 0 | 111.2 | ||||
| 44 | S | 28.8 | Very low | 29.7 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | 71.4 | 130.7 | 153.6 | 71.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 45 | T | 28.1 | Very low | 29.3 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -70.5 | 162.2 | 151.1 | 9.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 46 | D | 26.4 | Very low | 28.7 | Very low | 131 Ų | 131 | 144 Ų | 144 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -168.1 | 166.9 | 43.3 | -139.6 | -21.3 | 0 | 0 | 0 | 115.3 | ||||
| 47 | T | 28.1 | Very low | 28.4 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | trans | 50.6 | 127.6 | 155.3 | 50.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 48 | S | 29.5 | Very low | 28.3 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | 78 | 117.1 | 129.3 | 66.8 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 49 | E | 29.4 | Very low | 28.2 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | 75.5 | 114.4 | 127.4 | -65.1 | -171.4 | 163.7 | 0 | 0 | 123.7 | |||||
| 50 | T | 25.1 | Very low | 28 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | 48.7 | 125.2 | 136.7 | 64.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 51 | G | 27.3 | Very low | 27.8 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | 177.6 | 108.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 52 | V | 27.7 | Very low | 27.5 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -86.5 | 157.3 | 179 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 53 | E | 26.6 | Very low | 27.2 | Very low | 164 Ų | 164 | 127.3 Ų | 127.3 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | trans | 86.4 | 104.8 | 155.5 | -95.6 | 165.3 | -150.7 | 0 | 0 | 123.5 | ||||
| 54 | T | 24.7 | Very low | 27.1 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | 63.5 | 120.8 | 121.3 | 58.2 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 55 | V | 26.9 | Very low | 27 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | 82.9 | 130.1 | 120.2 | 173.3 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 56 | K | 26.3 | Very low | 27.1 | Very low | 205 Ų | 205 | 122.9 Ų | 122.9 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | 62.5 | 142 | 164.2 | -73.3 | 162.6 | -173.2 | 171.2 | 0 | 117 | ||||
| 57 | G | 23.6 | Very low | 27.1 | Very low | 70 Ų | 70 | 120 Ų | 120 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | cis | 156.4 | 158 | 5.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 58 | A | 26.7 | Very low | 27.1 | Very low | 91 Ų | 91 | 119.6 Ų | 119.6 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | 74 | 130.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 59 | K | 29.5 | Very low | 27 | Very low | 196 Ų | 196 | 123.7 Ų | 123.7 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | trans | 69.3 | 157.6 | 149 | -66.8 | 175.2 | 177.8 | -178.4 | 0 | 116.6 | ||||
| 60 | T | 26.5 | Very low | 27.1 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | cis | -159.1 | 175.4 | -9.1 | 13.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 61 | N | 28.8 | Very low | 27.3 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | cis | -145.5 | 161.4 | 12.7 | -113.2 | -8.9 | 0 | 0 | 0 | 107.6 | ||||
| 62 | V | 25.9 | Very low | 27.3 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | 68.7 | 117.1 | 59.9 | -174.8 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 63 | G | 25.7 | Very low | 27.4 | Very low | 74 Ų | 74 | 124.2 Ų | 124.2 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 138.5 | 143.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 64 | A | 27.6 | Very low | 27.8 | Very low | 105 Ų | 105 | 122 Ų | 122 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | -168.4 | 144.6 | -80.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 65 | G | 27.6 | Very low | 28 | Very low | 72 Ų | 72 | 125.7 Ų | 125.7 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | 87.6 | 164.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 66 | S | 29.1 | Very low | 28 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | cis | -168.3 | 155.1 | -10.9 | -94 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 67 | G | 25.9 | Very low | 28.1 | Very low | 72 Ų | 72 | 123.7 Ų | 123.7 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 131.8 | 99.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 68 | A | 29.3 | Very low | 28.9 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | 71.3 | 98.2 | 90.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 69 | K | 27.7 | Very low | 28.9 | Very low | 187 Ų | 187 | 129 Ų | 129 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | 76.7 | 112.6 | 56.5 | -170.3 | -172.1 | 179 | -179.3 | 0 | 114.4 | |||||
| 70 | L | 30.6 | Very low | 28.6 | Very low | 177 Ų | 177 | 126 Ų | 126 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | trans | -149.9 | 157.5 | 145 | -107.3 | 172.2 | 0 | 0 | 0 | 109.9 | ||||
| 71 | Q | 28.6 | Very low | 28.5 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -154.1 | 152.4 | -168.7 | 178 | -178 | -0.2 | 0 | 0 | 110 | D73 | Q71-D73 PolarHBondContact NE2-OD2 3.25Å; Q71-D73 VanDerWaalsContact NE2-OD2 3.14Å | ||
| 72 | G | 28.1 | Very low | 28.5 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | -173.7 | 101.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 73 | D | 29.1 | Very low | 28.3 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | trans | -94.5 | 153.3 | 179.5 | -66.2 | -82.8 | 0 | 0 | 0 | 113.1 | Q71 | Q71-D73 PolarHBondContact NE2-OD2 3.25Å; Q71-D73 VanDerWaalsContact NE2-OD2 3.14Å | ||
| 74 | S | 35.6 | Very low | 28.5 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 151 | 153.5 | 141 | -77 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 75 | K | 29.4 | Very low | 28.4 | Very low | 190 Ų | 190 | 132.3 Ų | 132.3 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | cis | -174.7 | 172.7 | -20.2 | -176.5 | 172.9 | 178.7 | -177.3 | 0 | 107.8 | ||||
| 76 | V | 26.6 | Very low | 28.2 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 111.1 | 132.5 | 153.6 | -175.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 77 | K | 27.8 | Very low | 28 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 63% | 0.626 | 79% | 0.788 | S | S | * | * | trans | -130.3 | 161.5 | 176 | -161.8 | -171.8 | -168.1 | -175.8 | 0 | 106.4 | E79 | K77-E79 HydrophobicContact CD-CG 4.02Å; K77-E79 WeakPolarHBondContact CE-OE1 3.46Å; K77-E79 VanDerWaalsContact NZ-CD 3.31Å; K77-E79 IonicContact NZ-OE1 2.6Å; K77-E79 PolarHBondContact NZ-OE1 2.91Å | ||
| 78 | P | 41.1 | Very low | 28.5 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | -138.9 | 173.7 | 124.2 | 32.9 | -18.4 | 0 | 0 | 0 | 113.9 | |||||
| 79 | E | 26.5 | Very low | 28.3 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | trans | -129.9 | 166.3 | -178.9 | -65.8 | 171.1 | 138.9 | 0 | 0 | 110.6 | K77 | K77-E79 HydrophobicContact CD-CG 4.02Å; K77-E79 WeakPolarHBondContact CE-OE1 3.46Å; K77-E79 VanDerWaalsContact NZ-CD 3.31Å; K77-E79 IonicContact NZ-OE1 2.6Å; K77-E79 PolarHBondContact NZ-OE1 2.91Å | ||
| 80 | V | 24 | Very low | 28.3 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | 154.5 | 115.6 | 146.5 | 155.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 81 | S | 23.8 | Very low | 28.2 | Very low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | 69.4 | 135.2 | 64.3 | -72.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 82 | L | 28.6 | Very low | 28.1 | Very low | 173 Ų | 173 | 138 Ų | 138 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | cis | -141.7 | 170.9 | 12.3 | -67 | 169.3 | 0 | 0 | 0 | 111.1 | ||||
| 83 | G | 22.1 | Very low | 28.1 | Very low | 77 Ų | 77 | 143.8 Ų | 143.8 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 166.4 | 106.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 84 | L | 28.8 | Very low | 27.9 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -102.2 | 172.7 | 164.1 | -65.1 | 115.2 | 0 | 0 | 0 | 109 | ||||
| 85 | E | 25.9 | Very low | 27.5 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | cis | -141.5 | 174.6 | 17.7 | -86.7 | -167.2 | 130.2 | 0 | 0 | 113.5 | ||||
| 86 | D | 23.4 | Very low | 27.6 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | 101.9 | 148.9 | 137.7 | -140.2 | 7.8 | 0 | 0 | 0 | 121 | ||||
| 87 | C | 24.8 | Very low | 27.6 | Very low | 112 Ų | 112 | 140 Ų | 140 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | trans | -160.8 | 143.5 | -172.4 | -94.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 88 | P | 37 | Very low | 27.8 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | -147.3 | 168.3 | 76.4 | 37.1 | -18.7 | 0 | 0 | 0 | 115.4 | |||||
| 89 | G | 24.3 | Very low | 27.7 | Very low | 75 Ų | 75 | 141 Ų | 141 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -92.5 | 175.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 90 | V | 27.6 | Very low | 28.2 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 89% | 0.885 | 83% | 0.832 | S | S | * | * | trans | -145.3 | 146.8 | 151.5 | 144.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 91 | K | 29.5 | Very low | 28.9 | Very low | 204 Ų | 204 | 136.9 Ų | 136.9 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 133.2 | 175.5 | -69 | 176.6 | 177 | 176 | 0 | 110.5 | ||
| 92 | E | 26.8 | Very low | 29.6 | Very low | 192 Ų | 192 | 134.6 Ų | 134.6 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 172.1 | 174.5 | -128.9 | -169.9 | 161.5 | 0 | 0 | 114.2 | ||
| 93 | K | 27.6 | Very low | 30.3 | Very low | 200 Ų | 200 | 128.6 Ų | 128.6 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 148 | -159.3 | -66.3 | 164.3 | 177.7 | 162.8 | 0 | 114.5 | ||
| 94 | A | 24.8 | Very low | 31.3 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -144.5 | 140.5 | 138.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 95 | H | 27.9 | Very low | 31.9 | Very low | 187 Ų | 187 | 128.2 Ų | 128.2 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | -147.3 | 160.1 | -178 | -120.7 | -17.3 | 0 | 0 | 0 | 110.6 | ||||
| 96 | S | 31.5 | Very low | 33.2 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | trans | 68.6 | 139.4 | -175 | 78.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 97 | G | 26.2 | Very low | 34.4 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | cis | -173.1 | 139.9 | -8.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 98 | S | 31.7 | Very low | 35.5 | Very low | 107 Ų | 107 | 119.5 Ų | 119.5 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | 61.2 | 111 | 138.4 | -147 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 99 | H | 38.5 | Very low | 36.5 | Very low | 184 Ų | 184 | 119.2 Ų | 119.2 | 85% | 0.852 | 72% | 0.717 | S | S | * | * | trans | 24.1 | 130 | 134.1 | -57.6 | -79.8 | 0 | 0 | 0 | 122.8 | ||||
| 100 | S | 38 | Very low | 38.3 | Very low | 134 Ų | 134 | 118.1 Ų | 118.1 | 94% | 0.937 | 70% | 0.701 | S | S | * | * | trans | -146.9 | 108.4 | 138.5 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 101 | G | 37.5 | Very low | 39.7 | Very low | 59 Ų | 59 | 115.9 Ų | 115.9 | 61% | 0.608 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -172.3 | -51 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | G103 | G101-G103 PolarHBondContact O-N 3.22Š|
| 102 | G | 39.4 | Very low | 40.9 | Very low | 51 Ų | 51 | 112.9 Ų | 112.9 | 53% | 0.526 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -64.8 | -14.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | L104 E105 A106 | G102-L104 VanDerWaalsContact C-N 3.33Å; G102-L104 PolarHBondContact O-N 3.36Å; G102-E105 PolarHBondContact O-N 3.08Å; G102-A106 VanDerWaalsContact O-CB 3.3Å; G102-A106 WeakPolarHBondContact O-CB 3.05Å; G102-A106 PolarHBondContact O-N 2.97Å |
| 103 | G | 43.3 | Very low | 42.4 | Very low | 47 Ų | 47 | 107.8 Ų | 107.8 | 49% | 0.485 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -67.7 | -22.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | G101 K107 | G101-G103 PolarHBondContact O-N 3.22Å; G103-K107 VanDerWaalsContact O-CD 3.27Å; G103-K107 WeakPolarHBondContact O-CD 3.38Å; G103-K107 VanDerWaalsContact O-CG 3.22Å; G103-K107 WeakPolarHBondContact O-CG 3.14Å |
| 104 | L | 42.2 | Very low | 44.3 | Very low | 124 Ų | 124 | 101.3 Ų | 101.3 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -86.9 | -43.1 | 176.1 | -84.6 | 158.2 | 0 | 0 | 0 | 111.8 | G102 K107 A108 | G102-L104 VanDerWaalsContact C-N 3.33Å; G102-L104 PolarHBondContact O-N 3.36Å; L104-K107 PolarHBondContact O-N 3.35Å; L104-A108 PolarHBondContact O-N 3.02Å |
| 105 | E | 42.9 | Very low | 45.7 | Very low | 113 Ų | 113 | 100.5 Ų | 100.5 | 53% | 0.528 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.9 | -42.3 | 178 | -164.1 | -165.3 | 143 | 0 | 0 | 111.6 | G102 K107 A108 K109 | G102-E105 PolarHBondContact O-N 3.08Å; E105-K107 VanDerWaalsContact C-N 3.32Å; E105-K107 PolarHBondContact O-N 3.44Å; E105-A108 PolarHBondContact O-N 3.38Å; E105-K109 HydrophobicContact CG-CD 4.37Å; E105-K109 WeakPolarHBondContact O-CB 3.35Å; E105-K109 PolarHBondContact O-N 3.4Å; E105-K109 VanDerWaalsContact OE1-CE 3.23Å; E105-K109 WeakPolarHBondContact OE1-CE 3.24Å; E105-K109 IonicContact OE1-NZ 2.61Å; E105-K109 PolarHBondContact OE1-NZ 3.49Å |
| 106 | A | 52.1 | Low | 47.2 | Very low | 59 Ų | 59 | 98.4 Ų | 98.4 | 49% | 0.488 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.9 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G102 K109 A110 | G102-A106 VanDerWaalsContact O-CB 3.3Å; G102-A106 WeakPolarHBondContact O-CB 3.05Å; G102-A106 PolarHBondContact O-N 2.97Å; A106-K109 PolarHBondContact O-N 3.27Å; A106-A110 VanDerWaalsContact O-CB 3.29Å; A106-A110 WeakPolarHBondContact O-CB 3.39Å; A106-A110 PolarHBondContact O-N 2.87Å |
| 107 | K | 49.3 | Very low | 48.6 | Very low | 145 Ų | 145 | 98.5 Ų | 98.5 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.3 | -38.5 | 176.1 | -74.6 | 173.9 | -174.5 | 177.5 | 0 | 112.4 | G103 L104 E105 L111 | G103-K107 VanDerWaalsContact O-CD 3.27Å; G103-K107 WeakPolarHBondContact O-CD 3.38Å; G103-K107 VanDerWaalsContact O-CG 3.22Å; G103-K107 WeakPolarHBondContact O-CG 3.14Å; L104-K107 PolarHBondContact O-N 3.35Å; E105-K107 VanDerWaalsContact C-N 3.32Å; E105-K107 PolarHBondContact O-N 3.44Å; K107-L111 WeakPolarHBondContact O-CG 3.37Å; K107-L111 PolarHBondContact O-N 2.69Å |
| 108 | A | 48 | Very low | 50.1 | Low | 53 Ų | 53 | 100.8 Ų | 100.8 | 44% | 0.438 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.4 | -45.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L104 E105 L111 F112 | L104-A108 PolarHBondContact O-N 3.02Å; E105-A108 PolarHBondContact O-N 3.38Å; A108-L111 PolarHBondContact O-N 2.97Å; A108-F112 WeakPolarHBondContact O-CB 3.29Å; A108-F112 PolarHBondContact O-N 3.43Å |
| 109 | K | 57.9 | Low | 50.8 | Low | 124 Ų | 124 | 98.8 Ų | 98.8 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.1 | -41.9 | 175.4 | -76.1 | 173.8 | 167.9 | 173.3 | 0 | 112.2 | E105 A106 F112 N113 | E105-K109 HydrophobicContact CG-CD 4.37Å; E105-K109 WeakPolarHBondContact O-CB 3.35Å; E105-K109 PolarHBondContact O-N 3.4Å; E105-K109 VanDerWaalsContact OE1-CE 3.23Å; E105-K109 WeakPolarHBondContact OE1-CE 3.24Å; E105-K109 IonicContact OE1-NZ 2.61Å; E105-K109 PolarHBondContact OE1-NZ 3.49Å; A106-K109 PolarHBondContact O-N 3.27Å; K109-F112 PolarHBondContact O-N 2.63Å; K109-N113 PolarHBondContact O-N 2.85Å; K109-N113 VanDerWaalsContact O-N 3.09Å |
| 110 | A | 62.3 | Low | 51.3 | Low | 53 Ų | 53 | 93.5 Ų | 93.5 | 44% | 0.438 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.4 | -51.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A106 F112 N113 T114 | A106-A110 VanDerWaalsContact O-CB 3.29Å; A106-A110 WeakPolarHBondContact O-CB 3.39Å; A106-A110 PolarHBondContact O-N 2.87Å; A110-F112 VanDerWaalsContact C-N 3.3Å; A110-F112 PolarHBondContact O-N 3.36Å; A110-N113 PolarHBondContact O-N 2.61Å; A110-N113 VanDerWaalsContact O-N 3.14Å; A110-T114 PolarHBondContact O-N 2.7Å; A110-T114 PolarHBondContact O-OG1 3.46Å; A110-T114 VanDerWaalsContact O-OG1 3.13Å |
| 111 | L | 56.7 | Low | 51.9 | Low | 98 Ų | 98 | 90.5 Ų | 90.5 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.1 | -39.4 | 178.1 | -77.2 | 169.4 | 0 | 0 | 0 | 112.6 | K107 A108 T114 L115 | K107-L111 WeakPolarHBondContact O-CG 3.37Å; K107-L111 PolarHBondContact O-N 2.69Å; A108-L111 PolarHBondContact O-N 2.97Å; L111-T114 PolarHBondContact O-N 3.01Å; L111-L115 VanDerWaalsContact O-CG 3.32Å; L111-L115 WeakPolarHBondContact O-CG 3.45Å; L111-L115 PolarHBondContact O-N 3.1Å |
| 112 | F | 53.9 | Low | 52.3 | Low | 141 Ų | 141 | 96.7 Ų | 96.7 | 62% | 0.618 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.4 | -43.4 | 176 | -174.5 | -97.7 | 0 | 0 | 0 | 112.1 | A108 K109 A110 L115 K116 | A108-F112 WeakPolarHBondContact O-CB 3.29Å; A108-F112 PolarHBondContact O-N 3.43Å; K109-F112 PolarHBondContact O-N 2.63Å; A110-F112 VanDerWaalsContact C-N 3.3Å; A110-F112 PolarHBondContact O-N 3.36Å; F112-L115 PolarHBondContact O-N 3.41Å; F112-K116 WeakPolarHBondContact O-CB 3.42Å; F112-K116 PolarHBondContact O-N 2.79Å |
| 113 | N | 59 | Low | 52.4 | Low | 85 Ų | 85 | 98.3 Ų | 98.3 | 46% | 0.455 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.4 | -43.6 | 176.6 | -72 | -13.3 | 0 | 0 | 0 | 112.2 | K109 A110 L115 K116 E117 | K109-N113 PolarHBondContact O-N 2.85Å; K109-N113 VanDerWaalsContact O-N 3.09Å; A110-N113 PolarHBondContact O-N 2.61Å; A110-N113 VanDerWaalsContact O-N 3.14Å; N113-L115 VanDerWaalsContact C-N 3.3Å; N113-L115 PolarHBondContact O-N 3.34Å; N113-K116 WeakPolarHBondContact O-CB 3.45Å; N113-K116 PolarHBondContact O-N 3.07Å; N113-K116 VanDerWaalsContact O-N 3.11Å; N113-E117 WeakPolarHBondContact O-CG 3.2Å; N113-E117 PolarHBondContact O-N 3.31Å |
| 114 | T | 66.3 | Low | 52.3 | Low | 65 Ų | 65 | 99.2 Ų | 99.2 | 40% | 0.399 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.8 | -39.4 | 175.8 | -52.9 | 0 | 0 | 0 | 0 | 112.2 | A110 L111 E117 Q118 | A110-T114 PolarHBondContact O-N 2.7Å; A110-T114 PolarHBondContact O-OG1 3.46Å; A110-T114 VanDerWaalsContact O-OG1 3.13Å; L111-T114 PolarHBondContact O-N 3.01Å; T114-E117 PolarHBondContact O-N 3.45Å; T114-Q118 WeakPolarHBondContact O-CG 3.31Å; T114-Q118 PolarHBondContact O-N 2.95Å |
| 115 | L | 55.3 | Low | 52.2 | Low | 82 Ų | 82 | 102.7 Ų | 102.7 | 43% | 0.429 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.4 | -36.1 | 175.7 | -70.6 | 164.9 | 0 | 0 | 0 | 112.3 | L111 F112 N113 A119 | L111-L115 VanDerWaalsContact O-CG 3.32Å; L111-L115 WeakPolarHBondContact O-CG 3.45Å; L111-L115 PolarHBondContact O-N 3.1Å; F112-L115 PolarHBondContact O-N 3.41Å; N113-L115 VanDerWaalsContact C-N 3.3Å; N113-L115 PolarHBondContact O-N 3.34Å; L115-A119 PolarHBondContact O-N 3.38Å; L115-A119 VanDerWaalsContact O-N 3.14Å |
| 116 | K | 60.1 | Low | 51.7 | Low | 143 Ų | 143 | 100.6 Ų | 100.6 | 62% | 0.622 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.2 | -41.8 | 173.8 | -173.1 | -176.3 | 178.5 | -174 | 0 | 111.9 | F112 N113 A119 S120 | F112-K116 WeakPolarHBondContact O-CB 3.42Å; F112-K116 PolarHBondContact O-N 2.79Å; N113-K116 WeakPolarHBondContact O-CB 3.45Å; N113-K116 PolarHBondContact O-N 3.07Å; N113-K116 VanDerWaalsContact O-N 3.11Å; K116-A119 PolarHBondContact O-N 2.86Å; K116-S120 PolarHBondContact O-N 3.24Å; K116-S120 PolarHBondContact O-OG 3.02Å |
| 117 | E | 61 | Low | 50.7 | Low | 128 Ų | 128 | 102.1 Ų | 102.1 | 60% | 0.598 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.9 | -39.4 | 176.6 | -72 | 173 | 173.4 | 0 | 0 | 112.5 | N113 T114 A119 S120 A121 | N113-E117 WeakPolarHBondContact O-CG 3.2Å; N113-E117 PolarHBondContact O-N 3.31Å; T114-E117 PolarHBondContact O-N 3.45Å; E117-A119 PolarHBondContact O-N 3.13Å; E117-S120 PolarHBondContact O-N 3.43Å; E117-S120 PolarHBondContact O-OG 3.45Å; E117-S120 VanDerWaalsContact O-OG 3.13Å; E117-A121 VanDerWaalsContact O-CB 3.23Å; E117-A121 WeakPolarHBondContact O-CB 3.37Å; E117-A121 PolarHBondContact O-N 2.84Å |
| 118 | Q | 56.7 | Low | 50.1 | Low | 121 Ų | 121 | 107.1 Ų | 107.1 | 57% | 0.565 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.9 | -27 | 173.7 | -73.6 | -179.4 | 5.9 | 0 | 0 | 112.9 | T114 | T114-Q118 WeakPolarHBondContact O-CG 3.31Å; T114-Q118 PolarHBondContact O-N 2.95Å |
| 119 | A | 45.5 | Very low | 49.3 | Very low | 65 Ų | 65 | 111.1 Ų | 111.1 | 54% | 0.537 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -74.7 | -47.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | L115 K116 E117 A121 K122 A123 | L115-A119 PolarHBondContact O-N 3.38Å; L115-A119 VanDerWaalsContact O-N 3.14Å; K116-A119 PolarHBondContact O-N 2.86Å; E117-A119 PolarHBondContact O-N 3.13Å; A119-A121 PolarHBondContact O-N 3.08Å; A119-K122 PolarHBondContact O-N 3.24Å; A119-A123 PolarHBondContact O-N 2.91Å |
| 120 | S | 50.9 | Low | 47.9 | Very low | 74 Ų | 74 | 108.4 Ų | 108.4 | 52% | 0.517 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -67.4 | -36 | 179.4 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | K116 E117 K122 A123 G124 | K116-S120 PolarHBondContact O-N 3.24Å; K116-S120 PolarHBondContact O-OG 3.02Å; E117-S120 PolarHBondContact O-N 3.43Å; E117-S120 PolarHBondContact O-OG 3.45Å; E117-S120 VanDerWaalsContact O-OG 3.13Å; S120-K122 PolarHBondContact O-N 3.07Å; S120-A123 PolarHBondContact O-N 2.92Å; S120-G124 PolarHBondContact O-N 3.32Å |
| 121 | A | 49.4 | Very low | 46.3 | Very low | 71 Ų | 71 | 113.1 Ų | 113.1 | 59% | 0.587 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -60.7 | -26.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E117 A119 | E117-A121 VanDerWaalsContact O-CB 3.23Å; E117-A121 WeakPolarHBondContact O-CB 3.37Å; E117-A121 PolarHBondContact O-N 2.84Å; A119-A121 PolarHBondContact O-N 3.08Å |
| 122 | K | 46.4 | Very low | 45 | Very low | 189 Ų | 189 | 116.3 Ų | 116.3 | 82% | 0.822 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80.7 | -23.7 | 173.2 | -79.4 | -178.2 | 173.7 | 177.9 | 0 | 113.8 | A119 S120 | A119-K122 PolarHBondContact O-N 3.24Å; S120-K122 PolarHBondContact O-N 3.07Å |
| 123 | A | 42.1 | Very low | 43.7 | Very low | 85 Ų | 85 | 115.5 Ų | 115.5 | 70% | 0.702 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -80 | -26.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A119 S120 K125 | A119-A123 PolarHBondContact O-N 2.91Å; S120-A123 PolarHBondContact O-N 2.92Å; A123-K125 VanDerWaalsContact C-N 3.3Å; A123-K125 PolarHBondContact O-N 3.19Å |
| 124 | G | 40.5 | Very low | 42.2 | Very low | 65 Ų | 65 | 114.9 Ų | 114.9 | 67% | 0.67 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -72.6 | -2.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | S120 | S120-G124 PolarHBondContact O-N 3.32Š|
| 125 | K | 40.4 | Very low | 40.3 | Very low | 198 Ų | 198 | 119.3 Ų | 119.3 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | trans | -104.7 | 48 | 179.7 | -80.1 | -168.1 | 172.2 | -176.3 | 0 | 114 | A123 A127 | A123-K125 VanDerWaalsContact C-N 3.3Å; A123-K125 PolarHBondContact O-N 3.19Å; K125-A127 PolarHBondContact O-N 3.47Å | ||
| 126 | G | 32.2 | Very low | 39.1 | Very low | 68 Ų | 68 | 126.8 Ų | 126.8 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | -72.2 | 115.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | R128 | G126-R128 PolarHBondContact O-N 2.85Š| ||
| 127 | A | 31.4 | Very low | 37.4 | Very low | 92 Ų | 92 | 125.5 Ų | 125.5 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | trans | -70.5 | 126.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | K125 V129 | K125-A127 PolarHBondContact O-N 3.47Å; A127-V129 PolarHBondContact O-N 2.92Å | ||
| 128 | R | 36 | Very low | 35.7 | Very low | 249 Ų | 249 | 127.7 Ų | 127.7 | 94% | 0.94 | 76% | 0.759 | S | S | * | * | trans | -65.6 | 127 | 170.1 | -69.4 | 179.7 | 176.7 | 176.2 | -2.1 | 109.2 | G126 | G126-R128 PolarHBondContact O-N 2.85Š| ||
| 129 | V | 31.3 | Very low | 34.1 | Very low | 138 Ų | 138 | 126.3 Ų | 126.3 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -114 | 118.6 | 166.3 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | A127 | A127-V129 PolarHBondContact O-N 2.92Š| ||
| 130 | G | 28.6 | Very low | 33.9 | Very low | 67 Ų | 67 | 129 Ų | 129 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | -86.3 | 150 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I132 | G130-I132 PolarHBondContact O-N 3.27Š| ||
| 131 | T | 29.3 | Very low | 32.6 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | trans | -73.3 | 106.3 | -177.2 | -46.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 132 | I | 28.2 | Very low | 31.5 | Very low | 165 Ų | 165 | 135.4 Ų | 135.4 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -134.6 | 139.2 | 165.9 | -62.3 | -175.5 | 0 | 0 | 0 | 109.7 | G130 | G130-I132 PolarHBondContact O-N 3.27Š| ||
| 133 | S | 26.7 | Very low | 31 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -90.2 | 151.3 | -179.4 | -179.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 134 | G | 28.2 | Very low | 30.5 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | 168.4 | 124.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 135 | N | 26.7 | Very low | 30.2 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -74.7 | 149 | 171.6 | -66.9 | -33.5 | 0 | 0 | 0 | 112.3 | ||||
| 136 | R | 29 | Very low | 29.6 | Very low | 239 Ų | 239 | 131 Ų | 131 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -177.9 | 112.2 | 134.6 | -98.6 | 151.5 | -164.6 | -146.5 | 3.9 | 115.3 | ||||
| 137 | T | 25.2 | Very low | 29.3 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 71% | 0.712 | 82% | 0.821 | S | S | * | * | 46.3 | 107.4 | 113.4 | -43.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 138 | L | 24.5 | Very low | 29.2 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | trans | 64.4 | 164.1 | 142.9 | -58.4 | 173.7 | 0 | 0 | 0 | 121.2 | ||||
| 139 | A | 23.1 | Very low | 28.8 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | -120.5 | -161.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 140 | P | 41.1 | Very low | 28.6 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | cis | -135 | 172.4 | -13.5 | 41.9 | -26.4 | 0 | 0 | 0 | 115 | ||||
| 141 | S | 23.6 | Very low | 28.5 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | -173.4 | 152.3 | 147 | 52 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 142 | L | 26.7 | Very low | 28.3 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 82% | 0.822 | 83% | 0.832 | S | S | * | * | trans | -97.2 | 166.7 | 160.4 | -89.4 | 170.6 | 0 | 0 | 0 | 108.2 | ||||
| 143 | P | 36.6 | Very low | 28.3 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | cis | -150.6 | -168.6 | 44.9 | 43.1 | -20.7 | 0 | 0 | 0 | 117.7 | ||||
| 144 | C | 32.1 | Very low | 29.2 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 76% | 0.757 | 83% | 0.825 | S | S | * | * | trans | -78.6 | 170.8 | 177.1 | -45.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 145 | P | 33.8 | Very low | 29.3 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | trans | -122.8 | 169.3 | 134 | 37.4 | -31.5 | 0 | 0 | 0 | 112.9 | ||||
| 146 | G | 26.5 | Very low | 29.3 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -170.9 | -175.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 147 | G | 27.3 | Very low | 29.4 | Very low | 78 Ų | 78 | 131.3 Ų | 131.3 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | 89.8 | 156.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 148 | R | 29.4 | Very low | 29.5 | Very low | 256 Ų | 256 | 129.1 Ų | 129.1 | 97% | 0.966 | 84% | 0.836 | S | S | * | * | cis | -137.3 | 167.4 | -2.7 | -68.3 | 175.6 | 173.4 | -176.8 | -2.6 | 107.1 | ||||
| 149 | G | 27 | Very low | 29.9 | Very low | 81 Ų | 81 | 127 Ų | 127 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | cis | 130.8 | 127.6 | 5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 150 | G | 27.2 | Very low | 30.1 | Very low | 86 Ų | 86 | 134.6 Ų | 134.6 | 89% | 0.887 | 85% | 0.845 | S | S | * | * | trans | 167.9 | 143.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 151 | G | 25.4 | Very low | 29.6 | Very low | 74 Ų | 74 | 133.8 Ų | 133.8 | 76% | 0.763 | 85% | 0.848 | S | S | * | * | trans | -172.7 | 169.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 152 | C | 26.9 | Very low | 29.9 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 93% | 0.932 | 84% | 0.841 | S | S | * | * | trans | -147.9 | 160.5 | 176.5 | -89.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 153 | H | 27.6 | Very low | 30.1 | Very low | 186 Ų | 186 | 129.1 Ų | 129.1 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | trans | -118.8 | -173.4 | -172.3 | -126.4 | -20.7 | 0 | 0 | 0 | 111.2 | ||||
| 154 | P | 45.6 | Very low | 29.8 | Very low | 108 Ų | 108 | 135 Ų | 135 | 70% | 0.701 | 85% | 0.846 | S | S | * | * | trans | -112.7 | 169.5 | -137.7 | 41.1 | -27.2 | 0 | 0 | 0 | 115.3 | ||||
| 155 | T | 29.4 | Very low | 29.8 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 90% | 0.902 | 85% | 0.848 | S | S | * | * | trans | -94.4 | 163.2 | 166 | 50.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 156 | R | 28.3 | Very low | 29.7 | Very low | 249 Ų | 249 | 134.1 Ų | 134.1 | 94% | 0.94 | 85% | 0.85 | S | S | * | * | trans | -134.2 | 127.1 | -160.5 | 163.9 | -175.7 | 165 | -170.9 | -5 | 111.8 | ||||
| 157 | S | 30.1 | Very low | 30.1 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 88% | 0.881 | 85% | 0.85 | S | S | * | * | trans | -158.8 | 143.8 | 166.1 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 158 | G | 27.5 | Very low | 30.3 | Very low | 71 Ų | 71 | 140.6 Ų | 140.6 | 73% | 0.732 | 86% | 0.856 | S | S | * | * | cis | 166.8 | 13.9 | -5.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 159 | S | 31.8 | Very low | 30.4 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 89% | 0.888 | 85% | 0.851 | S | S | * | * | trans | -136.1 | 154.7 | -176.6 | 53.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 160 | R | 27.6 | Very low | 30.7 | Very low | 253 Ų | 253 | 140.5 Ų | 140.5 | 96% | 0.955 | 86% | 0.855 | S | S | * | * | trans | -137.2 | 131.8 | -171.5 | -82.1 | 176.8 | 163.4 | 176.6 | -5.1 | 112.9 | ||||
| 161 | A | 31.4 | Very low | 30.8 | Very low | 104 Ų | 104 | 140 Ų | 140 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | trans | -163.6 | 149.9 | 144.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 162 | G | 28.7 | Very low | 31 | Very low | 68 Ų | 68 | 146.9 Ų | 146.9 | 70% | 0.701 | 86% | 0.858 | S | S | * | * | cis | 111.8 | 113.1 | 14.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 163 | S | 31.7 | Very low | 31.2 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 85% | 0.852 | S | S | * | * | cis | -157.7 | 149.4 | 5.8 | -74.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 164 | R | 31 | Very low | 31.3 | Very low | 245 Ų | 245 | 148.1 Ų | 148.1 | 93% | 0.925 | 86% | 0.857 | S | S | * | * | trans | 36.9 | 116.1 | 145.2 | -62.8 | 178 | 173.8 | 177.2 | -2.3 | 122.1 | ||||
| 165 | A | 32.3 | Very low | 30.7 | Very low | 98 Ų | 98 | 148.3 Ų | 148.3 | 81% | 0.81 | 86% | 0.86 | S | S | * | * | -159 | 107.1 | 119.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 166 | S | 31.8 | Very low | 30.8 | Very low | 130 Ų | 130 | 150.3 Ų | 150.3 | 91% | 0.909 | 86% | 0.857 | S | S | * | * | 74.1 | 93.4 | 83.6 | -161.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 167 | G | 33 | Very low | 31 | Very low | 79 Ų | 79 | 144.2 Ų | 144.2 | 81% | 0.814 | 85% | 0.852 | S | S | * | * | trans | -172.9 | 118.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 168 | K | 32.9 | Very low | 31.2 | Very low | 214 Ų | 214 | 144.6 Ų | 144.6 | 93% | 0.93 | 85% | 0.849 | S | S | * | * | trans | -107.3 | 129.3 | -175.1 | -82.9 | -180 | 178.7 | 170.2 | 0 | 112 | ||||
| 169 | S | 32 | Very low | 31.7 | Very low | 121 Ų | 121 | 152.6 Ų | 152.6 | 85% | 0.846 | 86% | 0.858 | S | S | * | * | trans | -153.7 | 133.8 | 137.2 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 170 | K | 32.3 | Very low | 32 | Very low | 214 Ų | 214 | 150.1 Ų | 150.1 | 93% | 0.93 | 85% | 0.845 | S | S | * | * | trans | -86.9 | 146.3 | 159.2 | -59.8 | 175.4 | -179 | 178.4 | 0 | 106.1 | ||||
| 171 | G | 28.8 | Very low | 32.4 | Very low | 74 Ų | 74 | 142.8 Ų | 142.8 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | cis | 145.6 | 137.5 | 1.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 172 | K | 30.9 | Very low | 32.8 | Very low | 219 Ų | 219 | 143.1 Ų | 143.1 | 95% | 0.952 | 83% | 0.832 | S | S | * | * | trans | -150.6 | 161.1 | 173.9 | -120.1 | 170.2 | -176.2 | 175.4 | 0 | 111.9 | ||||
| 173 | A | 29.8 | Very low | 33.4 | Very low | 98 Ų | 98 | 145 Ų | 145 | 81% | 0.81 | 83% | 0.831 | S | S | * | * | trans | -68.6 | 138.9 | -160.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S175 | A173-S175 PolarHBondContact O-N 3.45Å; A173-S175 VanDerWaalsContact O-N 3.12Å | ||
| 174 | R | 29.5 | Very low | 33.5 | Very low | 253 Ų | 253 | 145.4 Ų | 145.4 | 96% | 0.955 | 83% | 0.829 | S | S | * | * | trans | -77.3 | 92.7 | 174 | -169.9 | 178.5 | -171.5 | 179.3 | 3.1 | 109.6 | ||||
| 175 | S | 33.8 | Very low | 34 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -57.7 | 147.3 | 176 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | A173 S177 | A173-S175 PolarHBondContact O-N 3.45Å; A173-S175 VanDerWaalsContact O-N 3.12Å; S175-S177 PolarHBondContact O-N 2.93Å | ||
| 176 | K | 32.1 | Very low | 34.4 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -67.6 | 128.9 | 173.2 | -73.5 | 178 | 176.5 | 175.8 | 0 | 108.9 | T178 | K176-T178 PolarHBondContact O-N 2.83Š| ||
| 177 | S | 32 | Very low | 35.2 | Very low | 122 Ų | 122 | 144 Ų | 144 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -72.9 | 95.3 | 169.4 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | S175 R179 | S175-S177 PolarHBondContact O-N 2.93Å; S177-R179 PolarHBondContact O-N 3.42Å | ||
| 178 | T | 35 | Very low | 36.2 | Very low | 133 Ų | 133 | 151.5 Ų | 151.5 | 82% | 0.816 | 82% | 0.817 | S | S | * | * | trans | -69.8 | 105.1 | 164.7 | 16.8 | 0 | 0 | 0 | 0 | 108.5 | K176 A180 | K176-T178 PolarHBondContact O-N 2.83Å; T178-A180 PolarHBondContact O-N 2.88Å | ||
| 179 | R | 37.2 | Very low | 36.7 | Very low | 240 Ų | 240 | 153.5 Ų | 153.5 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -61.3 | 101.1 | 174.5 | -176.7 | -178.8 | -174 | 176.9 | 1.3 | 109.6 | S177 | S177-R179 PolarHBondContact O-N 3.42Š| ||
| 180 | A | 37.7 | Very low | 37.5 | Very low | 75 Ų | 75 | 150.7 Ų | 150.7 | 62% | 0.62 | 81% | 0.808 | S | S | * | * | trans | -62.4 | 146.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T178 | T178-A180 PolarHBondContact O-N 2.88Š| ||
| 181 | P | 36.5 | Very low | 38.3 | Very low | 98 Ų | 98 | 151.3 Ų | 151.3 | 64% | 0.636 | 81% | 0.811 | S | S | * | * | trans | -68 | 145.7 | 173.8 | 29.5 | -34.4 | 0 | 0 | 0 | 110.9 | T183 | P181-T183 VanDerWaalsContact C-N 3.27Å; P181-T183 PolarHBondContact O-N 3.25Å | ||
| 182 | A | 40.3 | Very low | 39.7 | Very low | 111 Ų | 111 | 152.2 Ų | 152.2 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 64.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 183 | T | 40.6 | Very low | 41.6 | Very low | 109 Ų | 109 | 148.9 Ų | 148.9 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.8 | 1 | 177.6 | 48.4 | 0 | 0 | 0 | 0 | 114.7 | P181 W185 | P181-T183 VanDerWaalsContact C-N 3.27Å; P181-T183 PolarHBondContact O-N 3.25Å; T183-W185 PolarHBondContact O-N 3.39Å |
| 184 | T | 34.7 | Very low | 44.2 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | -87.1 | 103.2 | -176.9 | -35.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 185 | W | 40.1 | Very low | 46.7 | Very low | 187 Ų | 187 | 137 Ų | 137 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | trans | -67.4 | 148.7 | 177.5 | -70.2 | 84.2 | 0 | 0 | 0 | 112.9 | T183 V187 | T183-W185 PolarHBondContact O-N 3.39Å; W185-V187 PolarHBondContact O-N 2.88Å; W185-V187 VanDerWaalsContact O-N 3.09Å | ||
| 186 | P | 40.9 | Very low | 49.2 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 77% | 0.766 | 70% | 0.702 | S | S | * | * | trans | -75.3 | 98 | 179.6 | 30.5 | -34.7 | 0 | 0 | 0 | 111.9 | R188 | P186-R188 PolarHBondContact O-N 3.12Š| ||
| 187 | V | 48.2 | Very low | 51.7 | Low | 138 Ų | 138 | 131.5 Ų | 131.5 | 84% | 0.836 | 69% | 0.693 | S | S | * | * | trans | -67.7 | 100.8 | 178.1 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | W185 | W185-V187 PolarHBondContact O-N 2.88Å; W185-V187 VanDerWaalsContact O-N 3.09Å | ||
| 188 | R | 53.9 | Low | 54.1 | Low | 237 Ų | 237 | 128.7 Ų | 128.7 | 89% | 0.894 | 67% | 0.667 | S | S | * | * | trans | -91.7 | 142.1 | 160.8 | -84.9 | -151.8 | -103.7 | -129.6 | 2.8 | 111.1 | P186 G190 | P186-R188 PolarHBondContact O-N 3.12Å; R188-G190 PolarHBondContact O-N 2.88Å; R188-G190 VanDerWaalsContact O-N 3.11Å | ||
| 189 | R | 45.3 | Very low | 56.4 | Low | 256 Ų | 256 | 128.5 Ų | 128.5 | 97% | 0.966 | 66% | 0.661 | S | S | * | * | trans | -84.8 | 80 | -172.2 | -64.5 | -176.7 | -175.8 | -178.7 | 0.8 | 112.2 | ||||
| 190 | G | 47.2 | Very low | 58.9 | Low | 62 Ų | 62 | 119.8 Ų | 119.8 | 64% | 0.639 | 63% | 0.633 | S | S | * | * | trans | -113.3 | 121.7 | 154 | 0 | 0 | 0 | 0 | 0 | 108.7 | R188 F192 | R188-G190 PolarHBondContact O-N 2.88Å; R188-G190 VanDerWaalsContact O-N 3.11Å; G190-F192 PolarHBondContact O-N 3.31Å | ||
| 191 | K | 48.9 | Very low | 61.6 | Low | 226 Ų | 226 | 120.8 Ų | 120.8 | 98% | 0.983 | 63% | 0.627 | S | S | * | * | trans | -81.7 | 54.3 | 178.2 | -100 | -164.8 | 175.4 | -172.6 | 0 | 111.7 | N193 | K191-N193 PolarHBondContact O-N 3.43Š| ||
| 192 | F | 59.5 | Low | 64.4 | Low | 94 Ų | 94 | 116.7 Ų | 116.7 | 41% | 0.412 | 60% | 0.599 | S | S | . | * | trans | -85.5 | 104.6 | 160.9 | -170.5 | -95.1 | 0 | 0 | 0 | 108.7 | G190 F194 I213 I222 | G190-F192 PolarHBondContact O-N 3.31Å; F192-F194 HydrophobicContact CD1-CB 4.24Å; F192-F194 HydrophobicContact CE1-CB 4.06Å; F192-F194 HydrophobicContact CE1-CD2 4.13Å; F192-F194 PolarHBondContact O-N 3.08Å; F192-I213 HydrophobicContact CZ-CG2 4.46Å; F192-I222 HydrophobicContact CB-CD1 3.96Å; F192-I222 HydrophobicContact CB-CG1 4.4Å; F192-I222 HydrophobicContact CD1-CD1 3.63Å; F192-I222 HydrophobicContact CD1-CG1 3.75Å; F192-I222 HydrophobicContact CD1-CG2 4.16Å; F192-I222 HydrophobicContact CD2-CD1 3.7Å; F192-I222 HydrophobicContact CE1-CD1 4.03Å; F192-I222 HydrophobicContact CE1-CG1 4.21Å; F192-I222 HydrophobicContact CE1-CG2 3.76Å; F192-I222 HydrophobicContact CE2-CD1 4.09Å; F192-I222 HydrophobicContact CG-CD1 3.44Å; F192-I222 VanDerWaalsContact CG-CD1 3.44Å; F192-I222 HydrophobicContact CG-CG1 4.01Å; F192-I222 HydrophobicContact CZ-CD1 4.25Å; F192-I222 HydrophobicContact CZ-CG2 4.23Å | ||
| 193 | N | 70.3 | Confident | 67.1 | Low | 149 Ų | 149 | 113.9 Ų | 113.9 | 80% | 0.797 | 57% | 0.573 | S | S | * | * | trans | -88.3 | 83.3 | -178.9 | -160.5 | 90.5 | 0 | 0 | 0 | 109.1 | K191 | K191-N193 PolarHBondContact O-N 3.43Š| ||
| 194 | F | 83.7 | Confident | 69.8 | Low | 27 Ų | 27 | 110.7 Ų | 110.7 | 12% | 0.118 | 56% | 0.557 | C | S | . | * | trans | -53.3 | 128.5 | 177.2 | -175.6 | -95.1 | 0 | 0 | 0 | 109.4 | F192 Y196 V210 I213 V225 A226 T229 | F192-F194 HydrophobicContact CD1-CB 4.24Å; F192-F194 HydrophobicContact CE1-CB 4.06Å; F192-F194 HydrophobicContact CE1-CD2 4.13Å; F192-F194 PolarHBondContact O-N 3.08Å; F194-Y196 VanDerWaalsContact C-N 3.26Å; F194-Y196 WeakPolarHBondContact CD1-O 3.45Å; F194-Y196 HydrophobicContact CE1-CD2 4.12Å; F194-Y196 HydrophobicContact CZ-CD2 4.37Å; F194-Y196 PolarHBondContact O-N 3.46Å; F194-Y196 VanDerWaalsContact O-N 3.15Å; F194-V210 HydrophobicContact CE2-CG1 4.31Å; F194-V210 HydrophobicContact CZ-CG1 3.93Å; F194-V210 HydrophobicContact CZ-CG2 3.97Å; F194-I213 HydrophobicContact CE2-CD1 4.36Å; F194-I213 HydrophobicContact CE2-CG2 4.38Å; F194-V225 HydrophobicContact CB-CG1 4.08Å; F194-V225 HydrophobicContact CD1-CG1 3.49Å; F194-V225 VanDerWaalsContact CD1-CG1 3.49Å; F194-V225 HydrophobicContact CD2-CG1 3.89Å; F194-V225 HydrophobicContact CE1-CG1 3.79Å; F194-V225 HydrophobicContact CE2-CG1 4.17Å; F194-V225 HydrophobicContact CG-CG1 3.55Å; F194-V225 HydrophobicContact CZ-CG1 4.13Å; F194-A226 HydrophobicContact CE2-CB 3.99Å; F194-A226 HydrophobicContact CZ-CB 4.46Å; F194-T229 HydrophobicContact CE1-CG2 4.17Å; F194-T229 WeakPolarHBondContact CE1-OG1 3.29Å; F194-T229 HydrophobicContact CZ-CG2 4.28Å | ||
| 195 | P | 81.9 | Confident | 72.8 | Confident | 73 Ų | 73 | 108.9 Ų | 108.9 | 47% | 0.474 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -75.6 | -5.1 | -159.4 | 24.4 | -32.7 | 0 | 0 | 0 | 116 | I213 | P195-I213 HydrophobicContact CG-CD1 4.02Š|
| 196 | Y | 86.9 | Confident | 75.5 | Confident | 41 Ų | 41 | 101.7 Ų | 101.7 | 16% | 0.161 | 52% | 0.523 | C | S | . | . | S | Bend | trans | -127.9 | 162.7 | -178.3 | -50.5 | -73.2 | 0 | 0 | 0 | 110.9 | F194 L202 D206 K209 V210 | F194-Y196 VanDerWaalsContact C-N 3.26Å; F194-Y196 WeakPolarHBondContact CD1-O 3.45Å; F194-Y196 HydrophobicContact CE1-CD2 4.12Å; F194-Y196 HydrophobicContact CZ-CD2 4.37Å; F194-Y196 PolarHBondContact O-N 3.46Å; F194-Y196 VanDerWaalsContact O-N 3.15Å; Y196-L202 HydrophobicContact CD1-CD1 4.5Å; Y196-L202 HydrophobicContact CD1-CD2 3.4Å; Y196-L202 HydrophobicContact CD2-CD1 4.06Å; Y196-L202 HydrophobicContact CD2-CD2 4.38Å; Y196-L202 HydrophobicContact CE1-CD2 3.89Å; Y196-L202 HydrophobicContact CE2-CD1 4.37Å; Y196-L202 HydrophobicContact CG-CD1 4.15Å; Y196-L202 HydrophobicContact CG-CD2 3.69Å; Y196-D206 HydrophobicContact CE1-CB 3.83Å; Y196-D206 WeakPolarHBondContact OH-CB 3.41Å; Y196-D206 PolarHBondContact OH-OD1 2.85Å; Y196-K209 WeakPolarHBondContact OH-CD 3.31Å; Y196-V210 HydrophobicContact CD2-CG2 3.54Å; Y196-V210 HydrophobicContact CE2-CG2 3.52Å |
| 197 | K | 85.2 | Confident | 78.3 | Confident | 145 Ų | 145 | 96 Ų | 96 | 63% | 0.63 | 49% | 0.487 | S | S | * | . | trans | -80.6 | 153 | 158.7 | -53.9 | 169.8 | -164.1 | 148.8 | 0 | 108.7 | D199 D200 | K197-D199 PolarHBondContact O-N 2.82Å; K197-D200 WeakPolarHBondContact CB-OD2 3.36Å; K197-D200 PolarHBondContact N-OD2 2.93Å; K197-D200 PolarHBondContact O-N 2.97Å; K197-D200 VanDerWaalsContact O-N 3.15Å | ||
| 198 | I | 81.8 | Confident | 80.6 | Confident | 62 Ų | 62 | 92.2 Ų | 92.2 | 32% | 0.318 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.5 | 179.6 | -70.2 | 171.2 | 0 | 0 | 0 | 112.1 | V225 V228 N232 | I198-V225 HydrophobicContact CD1-CG1 4.32Å; I198-V225 HydrophobicContact CG1-CG1 4.15Å; I198-V228 HydrophobicContact CG2-CB 4.19Å; I198-V228 HydrophobicContact CG2-CG1 3.47Å; I198-V228 VanDerWaalsContact CG2-CG1 3.47Å; I198-N232 WeakPolarHBondContact CG2-ND2 3.27Å; I198-N232 PolarHBondContact O-ND2 3.37Å |
| 199 | D | 83.3 | Confident | 82.7 | Confident | 130 Ų | 130 | 85.8 Ų | 85.8 | 70% | 0.695 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 5.1 | -178.7 | -46.4 | -54 | 0 | 0 | 0 | 113.6 | K197 N232 | K197-D199 PolarHBondContact O-N 2.82Å; D199-N232 PolarHBondContact OD1-ND2 3.46Å |
| 200 | D | 90.1 | Very high | 85.2 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 30% | 0.299 | 39% | 0.392 | S | S | . | . | trans | -73.6 | 130.7 | 176.6 | -69.8 | -27.8 | 0 | 0 | 0 | 110.2 | K197 L202 N233 | K197-D200 WeakPolarHBondContact CB-OD2 3.36Å; K197-D200 PolarHBondContact N-OD2 2.93Å; K197-D200 PolarHBondContact O-N 2.97Å; K197-D200 VanDerWaalsContact O-N 3.15Å; D200-L202 HydrophobicContact CB-CD2 3.98Å; D200-L202 PolarHBondContact O-N 3.16Å; D200-N233 PolarHBondContact O-ND2 2.82Å | ||
| 201 | I | 94.6 | Very high | 87.7 | Confident | 97 Ų | 97 | 70.7 Ų | 70.7 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | trans | -77.7 | 112.6 | 172 | -55.1 | 177.4 | 0 | 0 | 0 | 107.8 | Y236 F238 | I201-Y236 HydrophobicContact CD1-CE1 3.98Å; I201-Y236 HydrophobicContact CD1-CE2 4.14Å; I201-Y236 HydrophobicContact CG1-CE2 3.91Å; I201-F238 HydrophobicContact CG2-CE2 4.2Å; I201-F238 HydrophobicContact CG2-CZ 3.92Å | ||
| 202 | L | 95.6 | Very high | 90 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | trans | -92.5 | 148.9 | -170.5 | -60.2 | -171.8 | 0 | 0 | 0 | 112.8 | Y196 D200 D206 L207 V210 T229 N233 N239 | Y196-L202 HydrophobicContact CD1-CD1 4.5Å; Y196-L202 HydrophobicContact CD1-CD2 3.4Å; Y196-L202 HydrophobicContact CD2-CD1 4.06Å; Y196-L202 HydrophobicContact CD2-CD2 4.38Å; Y196-L202 HydrophobicContact CE1-CD2 3.89Å; Y196-L202 HydrophobicContact CE2-CD1 4.37Å; Y196-L202 HydrophobicContact CG-CD1 4.15Å; Y196-L202 HydrophobicContact CG-CD2 3.69Å; D200-L202 HydrophobicContact CB-CD2 3.98Å; D200-L202 PolarHBondContact O-N 3.16Å; L202-D206 HydrophobicContact CB-CB 4.01Å; L202-D206 HydrophobicContact CD1-CB 4.46Å; L202-D206 HydrophobicContact CD2-CB 4.31Å; L202-D206 HydrophobicContact CG-CB 4.48Å; L202-L207 HydrophobicContact CB-CD2 3.95Å; L202-L207 HydrophobicContact CB-CG 3.98Å; L202-L207 HydrophobicContact CD1-CD2 4.26Å; L202-V210 HydrophobicContact CD1-CG2 3.71Å; L202-T229 HydrophobicContact CD1-CG2 3.83Å; L202-N233 PolarHBondContact N-OD1 3.38Å; L202-N239 PolarHBondContact O-ND2 2.96Å | ||
| 203 | S | 97 | Very high | 91.8 | Very high | 53 Ų | 53 | 59.6 Ų | 59.6 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | trans | -75.2 | 161 | 167.7 | 79.8 | 0 | 0 | 0 | 0 | 111.1 | P205 D206 L207 | S203-P205 WeakPolarHBondContact OG-CD 3.48Å; S203-D206 CarbonylContact O-C 3.53Å; S203-D206 WeakPolarHBondContact O-CA 3.35Å; S203-D206 PolarHBondContact O-N 2.84Å; S203-D206 PolarHBondContact OG-N 3.33Å; S203-D206 PolarHBondContact OG-OD2 3Å; S203-L207 WeakPolarHBondContact O-CG 3.42Å; S203-L207 PolarHBondContact O-N 2.94Å | ||
| 204 | A | 97.2 | Very high | 93.1 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 34% | 0.339 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.2 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D206 L207 Q208 A242 L246 | A204-D206 PolarHBondContact O-N 3.4Å; A204-L207 PolarHBondContact O-N 3.26Å; A204-Q208 PolarHBondContact O-N 2.89Å; A204-A242 HydrophobicContact CB-CB 4.25Å; A204-L246 HydrophobicContact CB-CD1 4.23Å; A204-L246 VanDerWaalsContact O-CD1 3.31Å; A204-L246 WeakPolarHBondContact O-CD1 3.48Å |
| 205 | P | 97.5 | Very high | 93.7 | Very high | 84 Ų | 84 | 55.8 Ų | 55.8 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.7 | -28.5 | 170 | -28.1 | 35.8 | 0 | 0 | 0 | 115.2 | S203 K209 | S203-P205 WeakPolarHBondContact OG-CD 3.48Å; P205-K209 WeakPolarHBondContact O-CD 3.43Å; P205-K209 WeakPolarHBondContact O-CE 3.13Å; P205-K209 VanDerWaalsContact O-CG 3.31Å; P205-K209 WeakPolarHBondContact O-CG 3.31Å; P205-K209 PolarHBondContact O-N 3.12Å |
| 206 | D | 97.3 | Very high | 94.3 | Very high | 35 Ų | 35 | 61.5 Ų | 61.5 | 19% | 0.187 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -83 | -37.9 | 177.1 | -66.4 | -53.4 | 0 | 0 | 0 | 112.5 | Y196 L202 S203 A204 Q208 K209 V210 | Y196-D206 HydrophobicContact CE1-CB 3.83Å; Y196-D206 WeakPolarHBondContact OH-CB 3.41Å; Y196-D206 PolarHBondContact OH-OD1 2.85Å; L202-D206 HydrophobicContact CB-CB 4.01Å; L202-D206 HydrophobicContact CD1-CB 4.46Å; L202-D206 HydrophobicContact CD2-CB 4.31Å; L202-D206 HydrophobicContact CG-CB 4.48Å; S203-D206 CarbonylContact O-C 3.53Å; S203-D206 WeakPolarHBondContact O-CA 3.35Å; S203-D206 PolarHBondContact O-N 2.84Å; S203-D206 PolarHBondContact OG-N 3.33Å; S203-D206 PolarHBondContact OG-OD2 3Å; A204-D206 PolarHBondContact O-N 3.4Å; D206-Q208 VanDerWaalsContact C-N 3.3Å; D206-Q208 PolarHBondContact O-N 2.97Å; D206-K209 WeakPolarHBondContact O-CB 3.47Å; D206-K209 PolarHBondContact O-N 3.05Å; D206-K209 VanDerWaalsContact O-N 3.1Å; D206-K209 IonicContact OD1-NZ 2.7Å; D206-K209 PolarHBondContact OD1-NZ 3.16Å; D206-V210 PolarHBondContact O-N 2.95Å |
| 207 | L | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.3 | -43.6 | 168.7 | -69 | 170.8 | 0 | 0 | 0 | 111.3 | L202 S203 A204 K209 V210 L211 L230 N233 N239 A242 I243 L246 | L202-L207 HydrophobicContact CB-CD2 3.95Å; L202-L207 HydrophobicContact CB-CG 3.98Å; L202-L207 HydrophobicContact CD1-CD2 4.26Å; S203-L207 WeakPolarHBondContact O-CG 3.42Å; S203-L207 PolarHBondContact O-N 2.94Å; A204-L207 PolarHBondContact O-N 3.26Å; L207-K209 VanDerWaalsContact C-N 3.3Å; L207-K209 PolarHBondContact O-N 3.2Å; L207-V210 PolarHBondContact O-N 2.69Å; L207-V210 VanDerWaalsContact O-N 3.16Å; L207-L211 WeakPolarHBondContact O-CG 3.37Å; L207-L211 PolarHBondContact O-N 3.06Å; L207-L230 HydrophobicContact CD2-CD2 4.13Å; L207-N233 HydrophobicContact CD2-CB 3.84Å; L207-N239 HydrophobicContact CD1-CB 4.14Å; L207-A242 HydrophobicContact CD1-CB 3.86Å; L207-I243 HydrophobicContact CD1-CG1 4.11Å; L207-I243 HydrophobicContact CD2-CD1 4.19Å; L207-I243 HydrophobicContact CD2-CG1 4.19Å; L207-L246 HydrophobicContact CB-CD1 3.89Å |
| 208 | Q | 98.3 | Very high | 95.1 | Very high | 58 Ų | 58 | 60.8 Ų | 60.8 | 27% | 0.271 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 174.8 | -172.3 | 65.8 | 73.3 | 0 | 0 | 112 | A204 D206 L211 N212 L246 | A204-Q208 PolarHBondContact O-N 2.89Å; D206-Q208 VanDerWaalsContact C-N 3.3Å; D206-Q208 PolarHBondContact O-N 2.97Å; Q208-L211 PolarHBondContact O-N 3.24Å; Q208-N212 PolarHBondContact NE2-OD1 3.11Å; Q208-N212 WeakPolarHBondContact O-CB 3.42Å; Q208-N212 PolarHBondContact O-N 3.04Å; Q208-N212 PolarHBondContact O-ND2 2.82Å; Q208-N212 PolarHBondContact O-OD1 3.15Å; Q208-N212 VanDerWaalsContact O-OD1 3.12Å; Q208-L246 HydrophobicContact CB-CD1 4.3Å; Q208-L246 HydrophobicContact CB-CD2 4.37Å |
| 209 | K | 97.6 | Very high | 95.7 | Very high | 102 Ų | 102 | 61.2 Ų | 61.2 | 44% | 0.443 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 175.3 | -66.1 | 159.9 | -161 | 163.9 | 0 | 111.4 | Y196 P205 D206 L207 N212 I213 | Y196-K209 WeakPolarHBondContact OH-CD 3.31Å; P205-K209 WeakPolarHBondContact O-CD 3.43Å; P205-K209 WeakPolarHBondContact O-CE 3.13Å; P205-K209 VanDerWaalsContact O-CG 3.31Å; P205-K209 WeakPolarHBondContact O-CG 3.31Å; P205-K209 PolarHBondContact O-N 3.12Å; D206-K209 WeakPolarHBondContact O-CB 3.47Å; D206-K209 PolarHBondContact O-N 3.05Å; D206-K209 VanDerWaalsContact O-N 3.1Å; D206-K209 IonicContact OD1-NZ 2.7Å; D206-K209 PolarHBondContact OD1-NZ 3.16Å; L207-K209 VanDerWaalsContact C-N 3.3Å; L207-K209 PolarHBondContact O-N 3.2Å; K209-N212 PolarHBondContact O-N 3.45Å; K209-I213 VanDerWaalsContact O-CG1 3.29Å; K209-I213 WeakPolarHBondContact O-CG1 3.31Å; K209-I213 PolarHBondContact O-N 3.13Å |
| 210 | V | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 175.9 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | F194 Y196 L202 D206 L207 I213 L214 A226 T229 L230 | F194-V210 HydrophobicContact CE2-CG1 4.31Å; F194-V210 HydrophobicContact CZ-CG1 3.93Å; F194-V210 HydrophobicContact CZ-CG2 3.97Å; Y196-V210 HydrophobicContact CD2-CG2 3.54Å; Y196-V210 HydrophobicContact CE2-CG2 3.52Å; L202-V210 HydrophobicContact CD1-CG2 3.71Å; D206-V210 PolarHBondContact O-N 2.95Å; L207-V210 PolarHBondContact O-N 2.69Å; L207-V210 VanDerWaalsContact O-N 3.16Å; V210-I213 PolarHBondContact O-N 3.27Å; V210-L214 WeakPolarHBondContact O-CB 3.47Å; V210-L214 PolarHBondContact O-N 2.84Å; V210-A226 HydrophobicContact CG1-CB 3.88Å; V210-T229 HydrophobicContact CG2-CG2 4.48Å; V210-L230 HydrophobicContact CB-CD2 4.31Å; V210-L230 HydrophobicContact CB-CG 4.46Å; V210-L230 HydrophobicContact CG1-CD1 3.99Å; V210-L230 HydrophobicContact CG1-CD2 4.1Å; V210-L230 HydrophobicContact CG1-CG 3.72Å |
| 211 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 173 | -70.8 | 171.7 | 0 | 0 | 0 | 111.6 | L207 Q208 I213 L214 E215 L230 L246 I251 | L207-L211 WeakPolarHBondContact O-CG 3.37Å; L207-L211 PolarHBondContact O-N 3.06Å; Q208-L211 PolarHBondContact O-N 3.24Å; L211-I213 VanDerWaalsContact C-N 3.3Å; L211-I213 PolarHBondContact O-N 3.44Å; L211-L214 PolarHBondContact O-N 3.16Å; L211-E215 WeakPolarHBondContact O-CB 3.19Å; L211-E215 PolarHBondContact O-N 3.22Å; L211-L230 HydrophobicContact CD2-CD1 3.78Å; L211-L230 HydrophobicContact CD2-CD2 4.01Å; L211-L230 HydrophobicContact CG-CD2 4.13Å; L211-L246 HydrophobicContact CD1-CB 3.89Å; L211-I251 HydrophobicContact CB-CD1 4.2Å; L211-I251 HydrophobicContact CD2-CB 4.4Å; L211-I251 HydrophobicContact CD2-CD1 4.49Å; L211-I251 HydrophobicContact CD2-CG2 4.35Å |
| 212 | N | 97.8 | Very high | 96.5 | Very high | 52 Ų | 52 | 57.1 Ų | 57.1 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.9 | -32.8 | 176.3 | -67 | -4 | 0 | 0 | 0 | 112.6 | Q208 K209 R216 | Q208-N212 PolarHBondContact NE2-OD1 3.11Å; Q208-N212 WeakPolarHBondContact O-CB 3.42Å; Q208-N212 PolarHBondContact O-N 3.04Å; Q208-N212 PolarHBondContact O-ND2 2.82Å; Q208-N212 PolarHBondContact O-OD1 3.15Å; Q208-N212 VanDerWaalsContact O-OD1 3.12Å; K209-N212 PolarHBondContact O-N 3.45Å; N212-R216 WeakPolarHBondContact O-CB 3.39Å; N212-R216 VanDerWaalsContact O-CD 3.3Å; N212-R216 WeakPolarHBondContact O-CD 3.24Å; N212-R216 WeakPolarHBondContact O-CG 3.47Å; N212-R216 PolarHBondContact O-N 2.91Å |
| 213 | I | 96.6 | Very high | 96.6 | Very high | 35 Ų | 35 | 57.3 Ų | 57.3 | 18% | 0.179 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68 | -48.8 | 172.1 | -72.2 | 164.1 | 0 | 0 | 0 | 109.9 | F192 F194 P195 K209 V210 L211 E215 R216 T217 I222 | F192-I213 HydrophobicContact CZ-CG2 4.46Å; F194-I213 HydrophobicContact CE2-CD1 4.36Å; F194-I213 HydrophobicContact CE2-CG2 4.38Å; P195-I213 HydrophobicContact CG-CD1 4.02Å; K209-I213 VanDerWaalsContact O-CG1 3.29Å; K209-I213 WeakPolarHBondContact O-CG1 3.31Å; K209-I213 PolarHBondContact O-N 3.13Å; V210-I213 PolarHBondContact O-N 3.27Å; L211-I213 VanDerWaalsContact C-N 3.3Å; L211-I213 PolarHBondContact O-N 3.44Å; I213-E215 PolarHBondContact O-N 2.81Å; I213-R216 PolarHBondContact O-N 3.44Å; I213-T217 WeakPolarHBondContact O-CB 3.3Å; I213-T217 WeakPolarHBondContact O-CG2 3.38Å; I213-T217 PolarHBondContact O-N 2.59Å; I213-T217 VanDerWaalsContact O-N 3.08Å; I213-I222 HydrophobicContact CG2-CG2 3.51Å |
| 214 | L | 97.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -41.1 | -177.9 | -175.5 | 64 | 0 | 0 | 0 | 112.6 | V210 L211 Q223 A226 L227 L230 I251 I252 L255 | V210-L214 WeakPolarHBondContact O-CB 3.47Å; V210-L214 PolarHBondContact O-N 2.84Å; L211-L214 PolarHBondContact O-N 3.16Å; L214-Q223 HydrophobicContact CD1-CB 4.21Å; L214-Q223 HydrophobicContact CD1-CG 4.29Å; L214-A226 HydrophobicContact CB-CB 4.15Å; L214-A226 HydrophobicContact CD1-CB 4.01Å; L214-L227 HydrophobicContact CD1-CD2 4.27Å; L214-L227 HydrophobicContact CD1-CG 3.89Å; L214-L227 HydrophobicContact CD2-CD2 3.73Å; L214-L227 HydrophobicContact CD2-CG 4.23Å; L214-L230 HydrophobicContact CD2-CD1 3.74Å; L214-I251 HydrophobicContact CD2-CG2 4.27Å; L214-I251 HydrophobicContact CG-CG2 4.45Å; L214-I252 HydrophobicContact CD2-CG1 4.01Å; L214-L255 HydrophobicContact CD1-CD1 3.52Å; L214-L255 HydrophobicContact CD2-CD1 4.31Å; L214-L255 HydrophobicContact CG-CD1 3.99Å |
| 215 | E | 96.6 | Very high | 96.5 | Very high | 92 Ų | 92 | 55.2 Ų | 55.2 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.5 | -35 | -179.4 | -177.3 | 173.8 | -121.9 | 0 | 0 | 113.3 | L211 I213 I251 | L211-E215 WeakPolarHBondContact O-CB 3.19Å; L211-E215 PolarHBondContact O-N 3.22Å; I213-E215 PolarHBondContact O-N 2.81Å; E215-I251 HydrophobicContact CB-CG2 3.99Å |
| 216 | R | 95.8 | Very high | 96.5 | Very high | 194 Ų | 194 | 51.2 Ų | 51.2 | 73% | 0.732 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -93.2 | -17.8 | -172.1 | -65.2 | 175.5 | -175.2 | -168.1 | -1.2 | 113.9 | N212 I213 | N212-R216 WeakPolarHBondContact O-CB 3.39Å; N212-R216 VanDerWaalsContact O-CD 3.3Å; N212-R216 WeakPolarHBondContact O-CD 3.24Å; N212-R216 WeakPolarHBondContact O-CG 3.47Å; N212-R216 PolarHBondContact O-N 2.91Å; I213-R216 PolarHBondContact O-N 3.44Å |
| 217 | T | 94.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 14% | 0.135 | 24% | 0.238 | C | C | . | . | trans | -95.4 | 138.4 | -176.2 | -167.3 | 0 | 0 | 0 | 0 | 113.1 | I213 D219 I222 Q223 | I213-T217 WeakPolarHBondContact O-CB 3.3Å; I213-T217 WeakPolarHBondContact O-CG2 3.38Å; I213-T217 PolarHBondContact O-N 2.59Å; I213-T217 VanDerWaalsContact O-N 3.08Å; T217-D219 PolarHBondContact OG1-N 2.97Å; T217-I222 HydrophobicContact CG2-CB 3.98Å; T217-I222 HydrophobicContact CG2-CG2 3.78Å; T217-Q223 HydrophobicContact CG2-CG 3.75Å; T217-Q223 PolarHBondContact O-NE2 3.01Å | ||
| 218 | N | 93.7 | Very high | 96.6 | Very high | 149 Ų | 149 | 51.4 Ų | 51.4 | 80% | 0.797 | 25% | 0.249 | S | C | * | . | trans | -109.6 | 5.8 | 169.2 | -66.6 | -61.2 | 0 | 0 | 0 | 112.4 | P220 | N218-P220 WeakPolarHBondContact O-CD 3.33Š| ||
| 219 | D | 94.8 | Very high | 96.6 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | trans | -79.1 | 116.4 | 173.5 | -178.9 | -15.9 | 0 | 0 | 0 | 109.4 | T217 F221 I222 Q223 | T217-D219 PolarHBondContact OG1-N 2.97Å; D219-F221 PolarHBondContact O-N 3Å; D219-F221 WeakPolarHBondContact OD1-CB 3.31Å; D219-F221 PolarHBondContact OD1-N 3.08Å; D219-I222 HydrophobicContact CB-CB 4.21Å; D219-I222 HydrophobicContact CB-CD1 3.86Å; D219-I222 HydrophobicContact CB-CG1 3.91Å; D219-I222 PolarHBondContact O-N 3.39Å; D219-I222 VanDerWaalsContact O-N 3.1Å; D219-Q223 WeakPolarHBondContact O-CG 3.31Å; D219-Q223 PolarHBondContact O-N 3.43Å | ||
| 220 | P | 94.8 | Very high | 96.6 | Very high | 60 Ų | 60 | 43.9 Ų | 43.9 | 39% | 0.39 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.7 | -34.3 | -179.9 | -25.2 | 35.4 | 0 | 0 | 0 | 113.2 | N218 I222 Q223 E224 I263 | N218-P220 WeakPolarHBondContact O-CD 3.33Å; P220-I222 PolarHBondContact O-N 3.22Å; P220-Q223 PolarHBondContact O-N 2.89Å; P220-E224 WeakPolarHBondContact O-CB 3.46Å; P220-E224 PolarHBondContact O-N 3.24Å; P220-I263 HydrophobicContact CB-CD1 4.13Å; P220-I263 HydrophobicContact CB-CG1 4.28Å; P220-I263 WeakPolarHBondContact O-CD1 3.44Å |
| 221 | F | 94.2 | Very high | 96.6 | Very high | 125 Ų | 125 | 44.2 Ų | 44.2 | 55% | 0.548 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.3 | -40 | 179 | 178.1 | -106 | 0 | 0 | 0 | 111.6 | D219 E224 V225 | D219-F221 PolarHBondContact O-N 3Å; D219-F221 WeakPolarHBondContact OD1-CB 3.31Å; D219-F221 PolarHBondContact OD1-N 3.08Å; F221-E224 PolarHBondContact O-N 3.28Å; F221-V225 HydrophobicContact CE1-CG2 4.28Å; F221-V225 HydrophobicContact CE2-CG2 4.07Å; F221-V225 HydrophobicContact CZ-CG2 3.95Å; F221-V225 WeakPolarHBondContact O-CG2 3.31Å; F221-V225 PolarHBondContact O-N 3.05Å; F221-V225 VanDerWaalsContact O-N 3.08Å |
| 222 | I | 94.8 | Very high | 96.5 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.6 | -38.1 | 176.8 | -53.7 | 177.1 | 0 | 0 | 0 | 110.3 | F192 I213 T217 D219 P220 A226 | F192-I222 HydrophobicContact CB-CD1 3.96Å; F192-I222 HydrophobicContact CB-CG1 4.4Å; F192-I222 HydrophobicContact CD1-CD1 3.63Å; F192-I222 HydrophobicContact CD1-CG1 3.75Å; F192-I222 HydrophobicContact CD1-CG2 4.16Å; F192-I222 HydrophobicContact CD2-CD1 3.7Å; F192-I222 HydrophobicContact CE1-CD1 4.03Å; F192-I222 HydrophobicContact CE1-CG1 4.21Å; F192-I222 HydrophobicContact CE1-CG2 3.76Å; F192-I222 HydrophobicContact CE2-CD1 4.09Å; F192-I222 HydrophobicContact CG-CD1 3.44Å; F192-I222 VanDerWaalsContact CG-CD1 3.44Å; F192-I222 HydrophobicContact CG-CG1 4.01Å; F192-I222 HydrophobicContact CZ-CD1 4.25Å; F192-I222 HydrophobicContact CZ-CG2 4.23Å; I213-I222 HydrophobicContact CG2-CG2 3.51Å; T217-I222 HydrophobicContact CG2-CB 3.98Å; T217-I222 HydrophobicContact CG2-CG2 3.78Å; D219-I222 HydrophobicContact CB-CB 4.21Å; D219-I222 HydrophobicContact CB-CD1 3.86Å; D219-I222 HydrophobicContact CB-CG1 3.91Å; D219-I222 PolarHBondContact O-N 3.39Å; D219-I222 VanDerWaalsContact O-N 3.1Å; P220-I222 PolarHBondContact O-N 3.22Å; I222-A226 VanDerWaalsContact O-CB 3.24Å; I222-A226 WeakPolarHBondContact O-CB 3.45Å; I222-A226 PolarHBondContact O-N 3.48Å |
| 223 | Q | 97.3 | Very high | 96.6 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 7% | 0.065 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.5 | -44.3 | 173.2 | -67.9 | -175.2 | -10.5 | 0 | 0 | 111.7 | L214 T217 D219 P220 L227 I263 | L214-Q223 HydrophobicContact CD1-CB 4.21Å; L214-Q223 HydrophobicContact CD1-CG 4.29Å; T217-Q223 HydrophobicContact CG2-CG 3.75Å; T217-Q223 PolarHBondContact O-NE2 3.01Å; D219-Q223 WeakPolarHBondContact O-CG 3.31Å; D219-Q223 PolarHBondContact O-N 3.43Å; P220-Q223 PolarHBondContact O-N 2.89Å; Q223-L227 VanDerWaalsContact O-CB 3.31Å; Q223-L227 WeakPolarHBondContact O-CB 3.21Å; Q223-L227 VanDerWaalsContact O-CG 3.24Å; Q223-L227 WeakPolarHBondContact O-CG 3.12Å; Q223-L227 PolarHBondContact O-N 3.48Å; Q223-I263 HydrophobicContact CB-CD1 4Å; Q223-I263 HydrophobicContact CB-CG2 4.26Å |
| 224 | E | 97.1 | Very high | 96.6 | Very high | 32 Ų | 32 | 42.8 Ų | 42.8 | 15% | 0.15 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.7 | -53.8 | 177.2 | -169.8 | -179.8 | -169.4 | 0 | 0 | 110.8 | P220 F221 A226 L227 V228 I262 I263 K266 | P220-E224 WeakPolarHBondContact O-CB 3.46Å; P220-E224 PolarHBondContact O-N 3.24Å; F221-E224 PolarHBondContact O-N 3.28Å; E224-A226 VanDerWaalsContact C-N 3.33Å; E224-A226 PolarHBondContact O-N 3.12Å; E224-L227 PolarHBondContact O-N 3.17Å; E224-V228 HydrophobicContact CG-CG2 4.36Å; E224-V228 WeakPolarHBondContact O-CG2 3.2Å; E224-V228 PolarHBondContact O-N 3.29Å; E224-I262 VanDerWaalsContact CD-CG2 3.46Å; E224-I262 HydrophobicContact CG-CG2 4.11Å; E224-I262 VanDerWaalsContact OE1-CG2 3.29Å; E224-I262 WeakPolarHBondContact OE1-CG2 3.24Å; E224-I263 HydrophobicContact CB-CD1 3.87Å; E224-K266 HydrophobicContact CG-CG 3.84Å; E224-K266 WeakPolarHBondContact OE1-CE 3.03Å; E224-K266 IonicContact OE1-NZ 3.79Å |
| 225 | V | 96.1 | Very high | 96.4 | Very high | 18 Ų | 18 | 45.8 Ų | 45.8 | 11% | 0.109 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -41.5 | -178.4 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | F194 I198 F221 T229 | F194-V225 HydrophobicContact CB-CG1 4.08Å; F194-V225 HydrophobicContact CD1-CG1 3.49Å; F194-V225 VanDerWaalsContact CD1-CG1 3.49Å; F194-V225 HydrophobicContact CD2-CG1 3.89Å; F194-V225 HydrophobicContact CE1-CG1 3.79Å; F194-V225 HydrophobicContact CE2-CG1 4.17Å; F194-V225 HydrophobicContact CG-CG1 3.55Å; F194-V225 HydrophobicContact CZ-CG1 4.13Å; I198-V225 HydrophobicContact CD1-CG1 4.32Å; I198-V225 HydrophobicContact CG1-CG1 4.15Å; F221-V225 HydrophobicContact CE1-CG2 4.28Å; F221-V225 HydrophobicContact CE2-CG2 4.07Å; F221-V225 HydrophobicContact CZ-CG2 3.95Å; F221-V225 WeakPolarHBondContact O-CG2 3.31Å; F221-V225 PolarHBondContact O-N 3.05Å; F221-V225 VanDerWaalsContact O-N 3.08Å; V225-T229 WeakPolarHBondContact O-CB 3.46Å; V225-T229 PolarHBondContact O-N 3.39Å; V225-T229 PolarHBondContact O-OG1 3.33Å |
| 226 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F194 V210 L214 I222 E224 T229 L230 | F194-A226 HydrophobicContact CE2-CB 3.99Å; F194-A226 HydrophobicContact CZ-CB 4.46Å; V210-A226 HydrophobicContact CG1-CB 3.88Å; L214-A226 HydrophobicContact CB-CB 4.15Å; L214-A226 HydrophobicContact CD1-CB 4.01Å; I222-A226 VanDerWaalsContact O-CB 3.24Å; I222-A226 WeakPolarHBondContact O-CB 3.45Å; I222-A226 PolarHBondContact O-N 3.48Å; E224-A226 VanDerWaalsContact C-N 3.33Å; E224-A226 PolarHBondContact O-N 3.12Å; A226-T229 PolarHBondContact O-N 2.97Å; A226-L230 WeakPolarHBondContact O-CB 3.43Å; A226-L230 VanDerWaalsContact O-CG 3.31Å; A226-L230 WeakPolarHBondContact O-CG 3.4Å; A226-L230 PolarHBondContact O-N 2.88Å |
| 227 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65 | -40.3 | 177.8 | -75.7 | 168.4 | 0 | 0 | 0 | 112.8 | L214 Q223 E224 G231 I252 L255 I263 K266 T267 | L214-L227 HydrophobicContact CD1-CD2 4.27Å; L214-L227 HydrophobicContact CD1-CG 3.89Å; L214-L227 HydrophobicContact CD2-CD2 3.73Å; L214-L227 HydrophobicContact CD2-CG 4.23Å; Q223-L227 VanDerWaalsContact O-CB 3.31Å; Q223-L227 WeakPolarHBondContact O-CB 3.21Å; Q223-L227 VanDerWaalsContact O-CG 3.24Å; Q223-L227 WeakPolarHBondContact O-CG 3.12Å; Q223-L227 PolarHBondContact O-N 3.48Å; E224-L227 PolarHBondContact O-N 3.17Å; L227-G231 PolarHBondContact O-N 3.18Å; L227-I252 HydrophobicContact CD2-CG1 4.33Å; L227-I252 HydrophobicContact CD2-CG2 3.95Å; L227-L255 HydrophobicContact CD1-CD1 3.98Å; L227-L255 HydrophobicContact CD2-CD1 4.39Å; L227-L255 HydrophobicContact CG-CD1 4.4Å; L227-I263 HydrophobicContact CD1-CG2 3.67Å; L227-K266 HydrophobicContact CB-CB 3.64Å; L227-K266 HydrophobicContact CD1-CB 3.98Å; L227-K266 HydrophobicContact CG-CB 4.44Å; L227-T267 WeakPolarHBondContact CD1-OG1 3.36Å |
| 228 | V | 97.9 | Very high | 96.5 | Very high | 40 Ų | 40 | 45.1 Ų | 45.1 | 24% | 0.242 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.4 | -40.9 | 176.1 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | I198 E224 L230 G231 N232 K266 | I198-V228 HydrophobicContact CG2-CB 4.19Å; I198-V228 HydrophobicContact CG2-CG1 3.47Å; I198-V228 VanDerWaalsContact CG2-CG1 3.47Å; E224-V228 HydrophobicContact CG-CG2 4.36Å; E224-V228 WeakPolarHBondContact O-CG2 3.2Å; E224-V228 PolarHBondContact O-N 3.29Å; V228-L230 PolarHBondContact O-N 2.96Å; V228-G231 PolarHBondContact O-N 3.45Å; V228-N232 WeakPolarHBondContact O-CB 3.43Å; V228-N232 PolarHBondContact O-N 3.37Å; V228-K266 HydrophobicContact CG2-CB 4.45Å; V228-K266 HydrophobicContact CG2-CD 3.91Å; V228-K266 HydrophobicContact CG2-CG 3.88Å |
| 229 | T | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 175.8 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | F194 L202 V210 V225 A226 N233 | F194-T229 HydrophobicContact CE1-CG2 4.17Å; F194-T229 WeakPolarHBondContact CE1-OG1 3.29Å; F194-T229 HydrophobicContact CZ-CG2 4.28Å; L202-T229 HydrophobicContact CD1-CG2 3.83Å; V210-T229 HydrophobicContact CG2-CG2 4.48Å; V225-T229 WeakPolarHBondContact O-CB 3.46Å; V225-T229 PolarHBondContact O-N 3.39Å; V225-T229 PolarHBondContact O-OG1 3.33Å; A226-T229 PolarHBondContact O-N 2.97Å; T229-N233 WeakPolarHBondContact O-CB 3.49Å; T229-N233 PolarHBondContact O-N 3.12Å; T229-N233 VanDerWaalsContact O-N 3.08Å; T229-N233 PolarHBondContact O-ND2 3.5Å |
| 230 | L | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.7 | -41.2 | 175 | -71.5 | 164.9 | 0 | 0 | 0 | 112.1 | L207 V210 L211 L214 A226 V228 N233 A234 I243 I252 | L207-L230 HydrophobicContact CD2-CD2 4.13Å; V210-L230 HydrophobicContact CB-CD2 4.31Å; V210-L230 HydrophobicContact CB-CG 4.46Å; V210-L230 HydrophobicContact CG1-CD1 3.99Å; V210-L230 HydrophobicContact CG1-CD2 4.1Å; V210-L230 HydrophobicContact CG1-CG 3.72Å; L211-L230 HydrophobicContact CD2-CD1 3.78Å; L211-L230 HydrophobicContact CD2-CD2 4.01Å; L211-L230 HydrophobicContact CG-CD2 4.13Å; L214-L230 HydrophobicContact CD2-CD1 3.74Å; A226-L230 WeakPolarHBondContact O-CB 3.43Å; A226-L230 VanDerWaalsContact O-CG 3.31Å; A226-L230 WeakPolarHBondContact O-CG 3.4Å; A226-L230 PolarHBondContact O-N 2.88Å; V228-L230 PolarHBondContact O-N 2.96Å; L230-N233 PolarHBondContact O-N 3.4Å; L230-A234 VanDerWaalsContact O-CB 3.31Å; L230-A234 WeakPolarHBondContact O-CB 3.43Å; L230-A234 PolarHBondContact O-N 2.88Å; L230-I243 HydrophobicContact CD2-CD1 4.24Å; L230-I243 HydrophobicContact CD2-CG1 4.46Å; L230-I252 HydrophobicContact CB-CD1 4.41Å; L230-I252 HydrophobicContact CD1-CD1 4.19Å; L230-I252 HydrophobicContact CD1-CG1 4.19Å |
| 231 | G | 97.7 | Very high | 97 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 7% | 0.072 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.7 | -38.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L227 V228 A234 N273 | L227-G231 PolarHBondContact O-N 3.18Å; V228-G231 PolarHBondContact O-N 3.45Å; G231-A234 PolarHBondContact O-N 3.35Å; G231-N273 PolarHBondContact O-ND2 3.48Å |
| 232 | N | 97.4 | Very high | 97.2 | Very high | 56 Ų | 56 | 29.6 Ų | 29.6 | 30% | 0.299 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.4 | -46 | 171.2 | -81.8 | 1.6 | 0 | 0 | 0 | 111.2 | I198 D199 V228 A234 A235 | I198-N232 WeakPolarHBondContact CG2-ND2 3.27Å; I198-N232 PolarHBondContact O-ND2 3.37Å; D199-N232 PolarHBondContact OD1-ND2 3.46Å; V228-N232 WeakPolarHBondContact O-CB 3.43Å; V228-N232 PolarHBondContact O-N 3.37Å; N232-A234 VanDerWaalsContact C-N 3.3Å; N232-A234 PolarHBondContact O-N 3.48Å; N232-A235 WeakPolarHBondContact O-CB 3.04Å; N232-A235 PolarHBondContact O-N 2.94Å |
| 233 | N | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.011 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -33.3 | 177.2 | -86.2 | -87.8 | 0 | 0 | 0 | 112.6 | D200 L202 L207 T229 L230 A235 Y236 N239 | D200-N233 PolarHBondContact O-ND2 2.82Å; L202-N233 PolarHBondContact N-OD1 3.38Å; L207-N233 HydrophobicContact CD2-CB 3.84Å; T229-N233 WeakPolarHBondContact O-CB 3.49Å; T229-N233 PolarHBondContact O-N 3.12Å; T229-N233 VanDerWaalsContact O-N 3.08Å; T229-N233 PolarHBondContact O-ND2 3.5Å; L230-N233 PolarHBondContact O-N 3.4Å; N233-A235 PolarHBondContact O-N 3.31Å; N233-A235 VanDerWaalsContact O-N 3.13Å; N233-Y236 PolarHBondContact O-N 3.41Å; N233-Y236 VanDerWaalsContact O-N 3.1Å; N233-N239 HydrophobicContact CB-CB 4.4Å; N233-N239 VanDerWaalsContact O-CB 3.24Å; N233-N239 WeakPolarHBondContact O-CB 2.98Å; N233-N239 PolarHBondContact OD1-ND2 3.46Å |
| 234 | A | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -1 | 172 | 0 | 0 | 0 | 0 | 0 | 114.4 | L230 G231 N232 Y236 Q240 I243 N273 L274 | L230-A234 VanDerWaalsContact O-CB 3.31Å; L230-A234 WeakPolarHBondContact O-CB 3.43Å; L230-A234 PolarHBondContact O-N 2.88Å; G231-A234 PolarHBondContact O-N 3.35Å; N232-A234 VanDerWaalsContact C-N 3.3Å; N232-A234 PolarHBondContact O-N 3.48Å; A234-Y236 VanDerWaalsContact C-N 3.27Å; A234-Q240 WeakPolarHBondContact O-CG 3.44Å; A234-Q240 PolarHBondContact O-NE2 3Å; A234-I243 HydrophobicContact CB-CD1 4.22Å; A234-N273 HydrophobicContact CB-CB 3.83Å; A234-L274 HydrophobicContact CB-CD2 3.62Å; A234-L274 HydrophobicContact CB-CG 3.74Å |
| 235 | A | 94.1 | Very high | 97.4 | Very high | 66 Ų | 66 | 33.9 Ų | 33.9 | 55% | 0.545 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -16.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113 | N232 N233 | N232-A235 WeakPolarHBondContact O-CB 3.04Å; N232-A235 PolarHBondContact O-N 2.94Å; N233-A235 PolarHBondContact O-N 3.31Å; N233-A235 VanDerWaalsContact O-N 3.13Å |
| 236 | Y | 96.1 | Very high | 97.6 | Very high | 99 Ų | 99 | 35.1 Ų | 35.1 | 39% | 0.388 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -103 | 130 | 179.7 | -56.3 | -86 | 0 | 0 | 0 | 111.1 | I201 N233 A234 F238 N239 Q240 | I201-Y236 HydrophobicContact CD1-CE1 3.98Å; I201-Y236 HydrophobicContact CD1-CE2 4.14Å; I201-Y236 HydrophobicContact CG1-CE2 3.91Å; N233-Y236 PolarHBondContact O-N 3.41Å; N233-Y236 VanDerWaalsContact O-N 3.1Å; A234-Y236 VanDerWaalsContact C-N 3.27Å; Y236-F238 HydrophobicContact CD1-CE1 4.18Å; Y236-F238 HydrophobicContact CD1-CZ 4.37Å; Y236-F238 HydrophobicContact CG-CE1 4.17Å; Y236-F238 HydrophobicContact CG-CZ 4.13Å; Y236-F238 PolarHBondContact O-N 3.31Å; Y236-N239 CarbonylContact O-C 3.58Å; Y236-N239 PolarHBondContact O-N 2.87Å; Y236-Q240 WeakPolarHBondContact O-CG 3.39Å; Y236-Q240 PolarHBondContact O-N 3.04Å |
| 237 | S | 95.1 | Very high | 97.6 | Very high | 83 Ų | 83 | 36.7 Ų | 36.7 | 58% | 0.58 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -59.3 | -38.7 | -173.9 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | N239 Q240 N241 | S237-N239 VanDerWaalsContact C-N 3.33Å; S237-N239 PolarHBondContact O-N 2.83Å; S237-Q240 WeakPolarHBondContact O-CB 3.46Å; S237-Q240 PolarHBondContact O-N 3.36Å; S237-N241 PolarHBondContact O-N 2.96Å |
| 238 | F | 95.8 | Very high | 97.6 | Very high | 113 Ų | 113 | 36.7 Ų | 36.7 | 50% | 0.496 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.8 | -36.8 | 175.6 | 60.4 | -92.5 | 0 | 0 | 0 | 112 | I201 Y236 N241 A242 | I201-F238 HydrophobicContact CG2-CE2 4.2Å; I201-F238 HydrophobicContact CG2-CZ 3.92Å; Y236-F238 HydrophobicContact CD1-CE1 4.18Å; Y236-F238 HydrophobicContact CD1-CZ 4.37Å; Y236-F238 HydrophobicContact CG-CE1 4.17Å; Y236-F238 HydrophobicContact CG-CZ 4.13Å; Y236-F238 PolarHBondContact O-N 3.31Å; F238-N241 PolarHBondContact O-N 3.1Å; F238-A242 PolarHBondContact O-N 3.13Å |
| 239 | N | 98.1 | Very high | 97.6 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 3% | 0.032 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -80.1 | -23 | 176 | -80.3 | -3.3 | 0 | 0 | 0 | 112.8 | L202 L207 N233 Y236 S237 N241 I243 | L202-N239 PolarHBondContact O-ND2 2.96Å; L207-N239 HydrophobicContact CD1-CB 4.14Å; N233-N239 HydrophobicContact CB-CB 4.4Å; N233-N239 VanDerWaalsContact O-CB 3.24Å; N233-N239 WeakPolarHBondContact O-CB 2.98Å; N233-N239 PolarHBondContact OD1-ND2 3.46Å; Y236-N239 CarbonylContact O-C 3.58Å; Y236-N239 PolarHBondContact O-N 2.87Å; S237-N239 VanDerWaalsContact C-N 3.33Å; S237-N239 PolarHBondContact O-N 2.83Å; N239-N241 VanDerWaalsContact C-N 3.29Å; N239-N241 PolarHBondContact O-N 3.29Å; N239-I243 WeakPolarHBondContact O-CB 3.49Å; N239-I243 WeakPolarHBondContact O-CD1 3.25Å; N239-I243 WeakPolarHBondContact O-CG1 3.26Å; N239-I243 PolarHBondContact O-N 3.49Å |
| 240 | Q | 98.3 | Very high | 97.6 | Very high | 14 Ų | 14 | 37.7 Ų | 37.7 | 7% | 0.065 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.7 | -37.2 | 165.6 | -69.6 | 168.1 | 0.5 | 0 | 0 | 111.9 | A234 Y236 S237 R244 N273 N277 N280 | A234-Q240 WeakPolarHBondContact O-CG 3.44Å; A234-Q240 PolarHBondContact O-NE2 3Å; Y236-Q240 WeakPolarHBondContact O-CG 3.39Å; Y236-Q240 PolarHBondContact O-N 3.04Å; S237-Q240 WeakPolarHBondContact O-CB 3.46Å; S237-Q240 PolarHBondContact O-N 3.36Å; Q240-R244 PolarHBondContact O-N 3.26Å; Q240-N273 PolarHBondContact NE2-O 2.68Å; Q240-N277 HydrophobicContact CB-CB 4.31Å; Q240-N280 PolarHBondContact O-ND2 3.47Å; Q240-N280 PolarHBondContact O-OD1 3.21Å |
| 241 | N | 97.6 | Very high | 97.6 | Very high | 48 Ų | 48 | 38.7 Ų | 38.7 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -73.4 | -51 | 173.6 | -73.4 | 2.2 | 0 | 0 | 0 | 111.7 | S237 F238 N239 I243 R244 E245 N277 | S237-N241 PolarHBondContact O-N 2.96Å; F238-N241 PolarHBondContact O-N 3.1Å; N239-N241 VanDerWaalsContact C-N 3.29Å; N239-N241 PolarHBondContact O-N 3.29Å; N241-I243 VanDerWaalsContact C-N 3.29Å; N241-I243 PolarHBondContact O-N 3.21Å; N241-R244 WeakPolarHBondContact O-CA 3.44Å; N241-R244 VanDerWaalsContact O-CB 3.26Å; N241-R244 WeakPolarHBondContact O-CB 3.46Å; N241-R244 PolarHBondContact O-N 3.5Å; N241-R244 PolarHBondContact OD1-NH1 3.22Å; N241-R244 PolarHBondContact OD1-NH2 3Å; N241-R244 VanDerWaalsContact OD1-NH2 3.11Å; N241-E245 WeakPolarHBondContact O-CG 3.29Å; N241-E245 PolarHBondContact O-N 2.71Å; N241-N277 PolarHBondContact OD1-ND2 3.47Å; N241-N277 VanDerWaalsContact OD1-ND2 3.13Å |
| 242 | A | 98.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 7% | 0.074 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56 | -41.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A204 L207 F238 R244 E245 L246 | A204-A242 HydrophobicContact CB-CB 4.25Å; L207-A242 HydrophobicContact CD1-CB 3.86Å; F238-A242 PolarHBondContact O-N 3.13Å; A242-R244 VanDerWaalsContact C-N 3.3Å; A242-R244 PolarHBondContact O-N 2.88Å; A242-E245 PolarHBondContact O-N 2.9Å; A242-L246 VanDerWaalsContact O-CB 3.3Å; A242-L246 WeakPolarHBondContact O-CB 3.45Å; A242-L246 WeakPolarHBondContact O-CD1 3.42Å; A242-L246 WeakPolarHBondContact O-CG 3.22Å; A242-L246 PolarHBondContact O-N 2.84Å |
| 243 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67 | -28.6 | 176 | -64.7 | 166.2 | 0 | 0 | 0 | 112 | L207 L230 A234 N239 N241 G248 I252 L274 | L207-I243 HydrophobicContact CD1-CG1 4.11Å; L207-I243 HydrophobicContact CD2-CD1 4.19Å; L207-I243 HydrophobicContact CD2-CG1 4.19Å; L230-I243 HydrophobicContact CD2-CD1 4.24Å; L230-I243 HydrophobicContact CD2-CG1 4.46Å; A234-I243 HydrophobicContact CB-CD1 4.22Å; N239-I243 WeakPolarHBondContact O-CB 3.49Å; N239-I243 WeakPolarHBondContact O-CD1 3.25Å; N239-I243 WeakPolarHBondContact O-CG1 3.26Å; N239-I243 PolarHBondContact O-N 3.49Å; N241-I243 VanDerWaalsContact C-N 3.29Å; N241-I243 PolarHBondContact O-N 3.21Å; I243-G248 VanDerWaalsContact O-CA 3.31Å; I243-G248 WeakPolarHBondContact O-CA 3.38Å; I243-G248 PolarHBondContact O-N 3.47Å; I243-I252 HydrophobicContact CG2-CD1 4.14Å; I243-L274 HydrophobicContact CB-CD2 3.88Å; I243-L274 HydrophobicContact CD1-CD2 4.13Å; I243-L274 HydrophobicContact CG2-CD1 3.91Å; I243-L274 HydrophobicContact CG2-CD2 3.78Å |
| 244 | R | 98.2 | Very high | 97.7 | Very high | 16 Ų | 16 | 42.1 Ų | 42.1 | 6% | 0.06 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.7 | -39.8 | 173.6 | -175.4 | 179.3 | 58.6 | -94.4 | 5.1 | 112.5 | Q240 N241 A242 N277 E279 N280 K283 | Q240-R244 PolarHBondContact O-N 3.26Å; N241-R244 WeakPolarHBondContact O-CA 3.44Å; N241-R244 VanDerWaalsContact O-CB 3.26Å; N241-R244 WeakPolarHBondContact O-CB 3.46Å; N241-R244 PolarHBondContact O-N 3.5Å; N241-R244 PolarHBondContact OD1-NH1 3.22Å; N241-R244 PolarHBondContact OD1-NH2 3Å; N241-R244 VanDerWaalsContact OD1-NH2 3.11Å; A242-R244 VanDerWaalsContact C-N 3.3Å; A242-R244 PolarHBondContact O-N 2.88Å; R244-N277 PolarHBondContact NH1-OD1 3.31Å; R244-E279 VanDerWaalsContact CZ-CD 3.47Å; R244-E279 IonicContact CZ-OE1 2.7Å; R244-E279 IonicContact CZ-OE2 3.53Å; R244-E279 IonicContact NE-OE2 3.99Å; R244-E279 PolarHBondContact NE-OE2 2.84Å; R244-E279 IonicContact NH1-OE1 2.63Å; R244-E279 IonicContact NH2-OE1 2.73Å; R244-E279 PolarHBondContact NH2-OE1 2.89Å; R244-E279 IonicContact NH2-OE2 2.85Å; R244-E279 PolarHBondContact NH2-OE2 3.09Å; R244-N280 WeakPolarHBondContact CB-OD1 3.39Å; R244-N280 WeakPolarHBondContact CD-OD1 3.42Å; R244-N280 WeakPolarHBondContact CG-OD1 3.38Å; R244-N280 PolarHBondContact NH1-OD1 2.88Å; R244-K283 HydrophobicContact CG-CD 3.86Å; R244-K283 PolarHBondContact O-NZ 3.07Å |
| 245 | E | 98.1 | Very high | 97.7 | Very high | 134 Ų | 134 | 43 Ų | 43 | 63% | 0.626 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -73.2 | -46.7 | -177.4 | -70.3 | 155.4 | -161.5 | 0 | 0 | 110.9 | N241 A242 G247 | N241-E245 WeakPolarHBondContact O-CG 3.29Å; N241-E245 PolarHBondContact O-N 2.71Å; A242-E245 PolarHBondContact O-N 2.9Å; E245-G247 PolarHBondContact O-N 3.41Å |
| 246 | L | 98.4 | Very high | 97.9 | Very high | 44 Ų | 44 | 40 Ų | 40 | 23% | 0.23 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 18.2 | 176.8 | -58.9 | 169.1 | 0 | 0 | 0 | 114.1 | A204 L207 Q208 L211 A242 G248 | A204-L246 HydrophobicContact CB-CD1 4.23Å; A204-L246 VanDerWaalsContact O-CD1 3.31Å; A204-L246 WeakPolarHBondContact O-CD1 3.48Å; L207-L246 HydrophobicContact CB-CD1 3.89Å; Q208-L246 HydrophobicContact CB-CD1 4.3Å; Q208-L246 HydrophobicContact CB-CD2 4.37Å; L211-L246 HydrophobicContact CD1-CB 3.89Å; A242-L246 VanDerWaalsContact O-CB 3.3Å; A242-L246 WeakPolarHBondContact O-CB 3.45Å; A242-L246 WeakPolarHBondContact O-CD1 3.42Å; A242-L246 WeakPolarHBondContact O-CG 3.22Å; A242-L246 PolarHBondContact O-N 2.84Å; L246-G248 PolarHBondContact O-N 2.88Å; L246-G248 VanDerWaalsContact O-N 3.13Å |
| 247 | G | 98.1 | Very high | 97.8 | Very high | 32 Ų | 32 | 43 Ų | 43 | 33% | 0.33 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 12.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | E245 V249 P250 | E245-G247 PolarHBondContact O-N 3.41Å; G247-V249 PolarHBondContact O-N 3.01Å; G247-P250 WeakPolarHBondContact O-CD 3.48Å |
| 248 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70 | -24.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | I243 L246 I251 I252 | I243-G248 VanDerWaalsContact O-CA 3.31Å; I243-G248 WeakPolarHBondContact O-CA 3.38Å; I243-G248 PolarHBondContact O-N 3.47Å; L246-G248 PolarHBondContact O-N 2.88Å; L246-G248 VanDerWaalsContact O-N 3.13Å; G248-I251 PolarHBondContact O-N 2.88Å; G248-I252 WeakPolarHBondContact O-CG1 3.29Å; G248-I252 PolarHBondContact O-N 2.76Å |
| 249 | V | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.2 | -54.6 | 179.4 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | G247 I251 I252 A253 L274 K283 I284 Y287 | G247-V249 PolarHBondContact O-N 3.01Å; V249-I251 VanDerWaalsContact C-N 3.35Å; V249-I251 PolarHBondContact O-N 2.84Å; V249-I252 PolarHBondContact O-N 2.93Å; V249-A253 VanDerWaalsContact O-CB 3.26Å; V249-A253 WeakPolarHBondContact O-CB 3.32Å; V249-A253 PolarHBondContact O-N 3.39Å; V249-L274 HydrophobicContact CG2-CD1 4.17Å; V249-K283 HydrophobicContact CG1-CB 4.03Å; V249-I284 HydrophobicContact CG1-CG1 3.76Å; V249-Y287 HydrophobicContact CG1-CE2 4.34Å |
| 250 | P | 98.4 | Very high | 97.7 | Very high | 61 Ų | 61 | 47 Ų | 47 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.7 | -40.2 | 170.4 | -30.3 | 35 | 0 | 0 | 0 | 115.2 | G247 I252 A253 K254 | G247-P250 WeakPolarHBondContact O-CD 3.48Å; P250-I252 PolarHBondContact O-N 3.01Å; P250-A253 PolarHBondContact O-N 2.87Å; P250-K254 WeakPolarHBondContact O-CB 3.4Å; P250-K254 PolarHBondContact O-N 3.5Å |
| 251 | I | 98.5 | Very high | 97.6 | Very high | 21 Ų | 21 | 49.7 Ų | 49.7 | 11% | 0.108 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | -179.3 | -62.4 | 172.7 | 0 | 0 | 0 | 110.6 | L211 L214 E215 G248 V249 K254 | L211-I251 HydrophobicContact CB-CD1 4.2Å; L211-I251 HydrophobicContact CD2-CB 4.4Å; L211-I251 HydrophobicContact CD2-CD1 4.49Å; L211-I251 HydrophobicContact CD2-CG2 4.35Å; L214-I251 HydrophobicContact CD2-CG2 4.27Å; L214-I251 HydrophobicContact CG-CG2 4.45Å; E215-I251 HydrophobicContact CB-CG2 3.99Å; G248-I251 PolarHBondContact O-N 2.88Å; V249-I251 VanDerWaalsContact C-N 3.35Å; V249-I251 PolarHBondContact O-N 2.84Å; I251-K254 WeakPolarHBondContact O-CB 3.47Å |
| 252 | I | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.8 | -45.6 | 175.4 | -67.3 | 163.7 | 0 | 0 | 0 | 110.7 | L214 L227 L230 I243 G248 V249 P250 K254 L255 T267 A270 L271 L274 | L214-I252 HydrophobicContact CD2-CG1 4.01Å; L227-I252 HydrophobicContact CD2-CG1 4.33Å; L227-I252 HydrophobicContact CD2-CG2 3.95Å; L230-I252 HydrophobicContact CB-CD1 4.41Å; L230-I252 HydrophobicContact CD1-CD1 4.19Å; L230-I252 HydrophobicContact CD1-CG1 4.19Å; I243-I252 HydrophobicContact CG2-CD1 4.14Å; G248-I252 WeakPolarHBondContact O-CG1 3.29Å; G248-I252 PolarHBondContact O-N 2.76Å; V249-I252 PolarHBondContact O-N 2.93Å; P250-I252 PolarHBondContact O-N 3.01Å; I252-K254 VanDerWaalsContact C-N 3.31Å; I252-K254 PolarHBondContact O-N 2.71Å; I252-L255 PolarHBondContact O-N 3.4Å; I252-T267 HydrophobicContact CG2-CG2 4.17Å; I252-T267 VanDerWaalsContact O-CG2 3.29Å; I252-T267 WeakPolarHBondContact O-CG2 3.29Å; I252-A270 HydrophobicContact CG2-CB 4.1Å; I252-L271 HydrophobicContact CB-CD2 4.45Å; I252-L271 HydrophobicContact CG2-CD2 3.94Å; I252-L271 HydrophobicContact CG2-CG 3.86Å; I252-L274 HydrophobicContact CD1-CD1 3.81Å |
| 253 | A | 98.4 | Very high | 97.6 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67 | -26.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V249 P250 L255 I256 L271 Y287 | V249-A253 VanDerWaalsContact O-CB 3.26Å; V249-A253 WeakPolarHBondContact O-CB 3.32Å; V249-A253 PolarHBondContact O-N 3.39Å; P250-A253 PolarHBondContact O-N 2.87Å; A253-L255 PolarHBondContact O-N 2.59Å; A253-L255 VanDerWaalsContact O-N 3.12Å; A253-I256 HydrophobicContact CB-CD1 4.03Å; A253-I256 VanDerWaalsContact O-CB 3.28Å; A253-I256 WeakPolarHBondContact O-CB 3.35Å; A253-I256 WeakPolarHBondContact O-CD1 3.48Å; A253-I256 WeakPolarHBondContact O-CG1 3.35Å; A253-I256 PolarHBondContact O-N 2.97Å; A253-L271 HydrophobicContact CB-CD1 4.41Å; A253-L271 HydrophobicContact CB-CD2 4.44Å; A253-Y287 HydrophobicContact CB-CD1 3.93Å; A253-Y287 HydrophobicContact CB-CD2 3.61Å; A253-Y287 HydrophobicContact CB-CE1 3.77Å; A253-Y287 HydrophobicContact CB-CE2 3.44Å; A253-Y287 VanDerWaalsContact CB-CE2 3.44Å; A253-Y287 HydrophobicContact CB-CG 3.86Å |
| 254 | K | 97.6 | Very high | 97.5 | Very high | 132 Ų | 132 | 52.7 Ų | 52.7 | 57% | 0.574 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -50.4 | -34.4 | 170.5 | -178.1 | -177.5 | 177.5 | -174.7 | 0 | 112.4 | P250 I251 I252 I256 | P250-K254 WeakPolarHBondContact O-CB 3.4Å; P250-K254 PolarHBondContact O-N 3.5Å; I251-K254 WeakPolarHBondContact O-CB 3.47Å; I252-K254 VanDerWaalsContact C-N 3.31Å; I252-K254 PolarHBondContact O-N 2.71Å; K254-I256 VanDerWaalsContact C-N 3.33Å; K254-I256 PolarHBondContact O-N 2.83Å |
| 255 | L | 98 | Very high | 97.5 | Very high | 20 Ų | 20 | 53.8 Ų | 53.8 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -82.3 | -3.2 | -177.9 | -63.4 | 176.6 | 0 | 0 | 0 | 114.3 | L214 L227 I252 A253 K257 T258 I263 T267 | L214-L255 HydrophobicContact CD1-CD1 3.52Å; L214-L255 HydrophobicContact CD2-CD1 4.31Å; L214-L255 HydrophobicContact CG-CD1 3.99Å; L227-L255 HydrophobicContact CD1-CD1 3.98Å; L227-L255 HydrophobicContact CD2-CD1 4.39Å; L227-L255 HydrophobicContact CG-CD1 4.4Å; I252-L255 PolarHBondContact O-N 3.4Å; A253-L255 PolarHBondContact O-N 2.59Å; A253-L255 VanDerWaalsContact O-N 3.12Å; L255-K257 PolarHBondContact O-N 3.02Å; L255-T258 WeakPolarHBondContact O-CB 3.31Å; L255-T258 WeakPolarHBondContact O-CG2 3.38Å; L255-T258 PolarHBondContact O-N 2.98Å; L255-T258 VanDerWaalsContact O-N 3.15Å; L255-I263 HydrophobicContact CB-CG2 4.36Å; L255-I263 HydrophobicContact CD1-CG2 4.25Å; L255-T267 WeakPolarHBondContact CB-OG1 3.18Å |
| 256 | I | 97.7 | Very high | 97.6 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -54 | -42.8 | 170.9 | -68.8 | 170.4 | 0 | 0 | 0 | 110.3 | A253 K254 T258 R264 T267 Y268 L271 Y287 Q290 V291 D294 | A253-I256 HydrophobicContact CB-CD1 4.03Å; A253-I256 VanDerWaalsContact O-CB 3.28Å; A253-I256 WeakPolarHBondContact O-CB 3.35Å; A253-I256 WeakPolarHBondContact O-CD1 3.48Å; A253-I256 WeakPolarHBondContact O-CG1 3.35Å; A253-I256 PolarHBondContact O-N 2.97Å; K254-I256 VanDerWaalsContact C-N 3.33Å; K254-I256 PolarHBondContact O-N 2.83Å; I256-T258 PolarHBondContact O-N 3.14Å; I256-T258 VanDerWaalsContact O-N 3.11Å; I256-R264 WeakPolarHBondContact O-CD 3.23Å; I256-T267 HydrophobicContact CG1-CG2 3.68Å; I256-Y268 HydrophobicContact CB-CE1 4.41Å; I256-Y268 HydrophobicContact CG1-CD1 4.42Å; I256-Y268 HydrophobicContact CG1-CE1 4.02Å; I256-Y268 HydrophobicContact CG2-CE1 3.96Å; I256-L271 HydrophobicContact CD1-CD1 3.85Å; I256-L271 HydrophobicContact CG1-CD1 4.13Å; I256-Y287 HydrophobicContact CD1-CD1 4.45Å; I256-Y287 HydrophobicContact CD1-CG 4.17Å; I256-Q290 HydrophobicContact CG2-CG 3.97Å; I256-V291 HydrophobicContact CD1-CG2 3.97Å; I256-D294 WeakPolarHBondContact CG2-OD2 3.35Å |
| 257 | K | 94.4 | Very high | 97.6 | Very high | 162 Ų | 162 | 47.1 Ų | 47.1 | 70% | 0.704 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -78.3 | 10.1 | -176 | -57.8 | -168.5 | 177 | -165.2 | 0 | 114.3 | L255 Q290 | L255-K257 PolarHBondContact O-N 3.02Å; K257-Q290 VanDerWaalsContact CE-OE1 3.24Å |
| 258 | T | 95.2 | Very high | 97.6 | Very high | 35 Ų | 35 | 45.6 Ų | 45.6 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | trans | -72.5 | 144.8 | 176.8 | -168.1 | 0 | 0 | 0 | 0 | 112 | L255 I256 D260 I263 R264 | L255-T258 WeakPolarHBondContact O-CB 3.31Å; L255-T258 WeakPolarHBondContact O-CG2 3.38Å; L255-T258 PolarHBondContact O-N 2.98Å; L255-T258 VanDerWaalsContact O-N 3.15Å; I256-T258 PolarHBondContact O-N 3.14Å; I256-T258 VanDerWaalsContact O-N 3.11Å; T258-D260 VanDerWaalsContact C-N 3.32Å; T258-D260 WeakPolarHBondContact CG2-O 3.42Å; T258-D260 PolarHBondContact OG1-N 3.38Å; T258-I263 HydrophobicContact CG2-CB 3.87Å; T258-I263 HydrophobicContact CG2-CG2 3.99Å; T258-R264 HydrophobicContact CG2-CB 3.92Å; T258-R264 PolarHBondContact O-NH1 3.05Å | ||
| 259 | K | 94.4 | Very high | 97.6 | Very high | 201 Ų | 201 | 47.5 Ų | 47.5 | 87% | 0.874 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -74.5 | -24.1 | 174.3 | -66 | -174.6 | 179 | -179.8 | 0 | 112.3 | P261 | K259-P261 WeakPolarHBondContact O-CD 3.45Š|
| 260 | D | 96.6 | Very high | 97.6 | Very high | 48 Ų | 48 | 47.5 Ų | 47.5 | 26% | 0.257 | 23% | 0.233 | S | C | . | . | trans | -72 | 118.4 | -178.6 | -168.1 | -49.6 | 0 | 0 | 0 | 111.2 | T258 I262 I263 R264 | T258-D260 VanDerWaalsContact C-N 3.32Å; T258-D260 WeakPolarHBondContact CG2-O 3.42Å; T258-D260 PolarHBondContact OG1-N 3.38Å; D260-I262 VanDerWaalsContact C-N 3.32Å; D260-I262 PolarHBondContact O-N 3.36Å; D260-I262 WeakPolarHBondContact OD1-CA 3.36Å; D260-I262 WeakPolarHBondContact OD1-CB 3.12Å; D260-I262 PolarHBondContact OD1-N 3.46Å; D260-I263 HydrophobicContact CB-CB 4.17Å; D260-I263 HydrophobicContact CB-CG1 3.81Å; D260-I263 PolarHBondContact OD1-N 3.48Å; D260-R264 WeakPolarHBondContact O-CB 3.18Å; D260-R264 PolarHBondContact O-N 2.86Å; D260-R264 VanDerWaalsContact O-N 3.07Å | ||
| 261 | P | 96.6 | Very high | 97.6 | Very high | 72 Ų | 72 | 44.7 Ų | 44.7 | 47% | 0.468 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.2 | -29.3 | -178.7 | 29.1 | -34.8 | 0 | 0 | 0 | 112.9 | K259 E265 V304 | K259-P261 WeakPolarHBondContact O-CD 3.45Å; P261-E265 VanDerWaalsContact O-CB 3.31Å; P261-E265 WeakPolarHBondContact O-CB 3.38Å; P261-E265 PolarHBondContact O-N 2.87Å; P261-V304 HydrophobicContact CB-CG2 3.72Å; P261-V304 WeakPolarHBondContact O-CG2 3.3Å |
| 262 | I | 97.3 | Very high | 97.6 | Very high | 79 Ų | 79 | 44.7 Ų | 44.7 | 41% | 0.405 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.5 | -47.3 | -180 | -57.1 | 177.5 | 0 | 0 | 0 | 109 | E224 D260 E265 K266 | E224-I262 VanDerWaalsContact CD-CG2 3.46Å; E224-I262 HydrophobicContact CG-CG2 4.11Å; E224-I262 VanDerWaalsContact OE1-CG2 3.29Å; E224-I262 WeakPolarHBondContact OE1-CG2 3.24Å; D260-I262 VanDerWaalsContact C-N 3.32Å; D260-I262 PolarHBondContact O-N 3.36Å; D260-I262 WeakPolarHBondContact OD1-CA 3.36Å; D260-I262 WeakPolarHBondContact OD1-CB 3.12Å; D260-I262 PolarHBondContact OD1-N 3.46Å; I262-E265 WeakPolarHBondContact O-CB 3.44Å; I262-E265 PolarHBondContact O-N 3.21Å; I262-K266 WeakPolarHBondContact O-CG 3.14Å; I262-K266 PolarHBondContact O-N 2.96Å |
| 263 | I | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 178.3 | -51.3 | -50.5 | 0 | 0 | 0 | 110.5 | P220 Q223 E224 L227 L255 T258 D260 E265 K266 T267 | P220-I263 HydrophobicContact CB-CD1 4.13Å; P220-I263 HydrophobicContact CB-CG1 4.28Å; P220-I263 WeakPolarHBondContact O-CD1 3.44Å; Q223-I263 HydrophobicContact CB-CD1 4Å; Q223-I263 HydrophobicContact CB-CG2 4.26Å; E224-I263 HydrophobicContact CB-CD1 3.87Å; L227-I263 HydrophobicContact CD1-CG2 3.67Å; L255-I263 HydrophobicContact CB-CG2 4.36Å; L255-I263 HydrophobicContact CD1-CG2 4.25Å; T258-I263 HydrophobicContact CG2-CB 3.87Å; T258-I263 HydrophobicContact CG2-CG2 3.99Å; D260-I263 HydrophobicContact CB-CB 4.17Å; D260-I263 HydrophobicContact CB-CG1 3.81Å; D260-I263 PolarHBondContact OD1-N 3.48Å; I263-E265 VanDerWaalsContact C-N 3.32Å; I263-E265 PolarHBondContact O-N 3.26Å; I263-K266 PolarHBondContact O-N 3.38Å; I263-K266 VanDerWaalsContact O-N 3.13Å; I263-T267 PolarHBondContact O-N 2.65Å; I263-T267 PolarHBondContact O-OG1 2.93Å |
| 264 | R | 97.8 | Very high | 97.6 | Very high | 40 Ų | 40 | 46.7 Ų | 46.7 | 15% | 0.151 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.2 | -37.9 | 178.1 | -162.5 | 161.2 | 70.3 | -106.6 | 1.1 | 112.4 | I256 T258 D260 T267 Y268 C298 V304 | I256-R264 WeakPolarHBondContact O-CD 3.23Å; T258-R264 HydrophobicContact CG2-CB 3.92Å; T258-R264 PolarHBondContact O-NH1 3.05Å; D260-R264 WeakPolarHBondContact O-CB 3.18Å; D260-R264 PolarHBondContact O-N 2.86Å; D260-R264 VanDerWaalsContact O-N 3.07Å; R264-T267 PolarHBondContact O-N 2.9Å; R264-Y268 WeakPolarHBondContact CD-OH 3.49Å; R264-Y268 HydrophobicContact CG-CE1 4.05Å; R264-Y268 HydrophobicContact CG-CE2 3.91Å; R264-Y268 PolarHBondContact O-N 3.17Å; R264-C298 PolarHBondContact NH2-SG 3.1Å; R264-V304 HydrophobicContact CB-CG1 4.38Å; R264-V304 HydrophobicContact CG-CG1 4.15Å |
| 265 | E | 98.4 | Very high | 97.6 | Very high | 38 Ų | 38 | 40.4 Ų | 40.4 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 171.2 | -170.6 | -140.9 | 109.3 | 0 | 0 | 111.9 | P261 I262 I263 Y268 N269 A303 V304 A307 | P261-E265 VanDerWaalsContact O-CB 3.31Å; P261-E265 WeakPolarHBondContact O-CB 3.38Å; P261-E265 PolarHBondContact O-N 2.87Å; I262-E265 WeakPolarHBondContact O-CB 3.44Å; I262-E265 PolarHBondContact O-N 3.21Å; I263-E265 VanDerWaalsContact C-N 3.32Å; I263-E265 PolarHBondContact O-N 3.26Å; E265-Y268 PolarHBondContact O-N 2.9Å; E265-N269 WeakPolarHBondContact O-CB 3.24Å; E265-N269 PolarHBondContact O-N 3.05Å; E265-N269 PolarHBondContact O-ND2 3.4Å; E265-N269 PolarHBondContact OE1-ND2 3.14Å; E265-A303 HydrophobicContact CG-CB 3.96Å; E265-A303 VanDerWaalsContact OE2-CB 3.31Å; E265-A303 WeakPolarHBondContact OE2-CB 3.43Å; E265-V304 HydrophobicContact CB-CG2 4.17Å; E265-A307 HydrophobicContact CG-CB 4.18Å |
| 266 | K | 98.6 | Very high | 97.5 | Very high | 38 Ų | 38 | 43.2 Ų | 43.2 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.1 | -36.3 | 179.8 | -53.2 | -35.4 | 173.4 | -169.7 | 0 | 111.9 | E224 L227 V228 I262 I263 N269 A270 | E224-K266 HydrophobicContact CG-CG 3.84Å; E224-K266 WeakPolarHBondContact OE1-CE 3.03Å; E224-K266 IonicContact OE1-NZ 3.79Å; L227-K266 HydrophobicContact CB-CB 3.64Å; L227-K266 HydrophobicContact CD1-CB 3.98Å; L227-K266 HydrophobicContact CG-CB 4.44Å; V228-K266 HydrophobicContact CG2-CB 4.45Å; V228-K266 HydrophobicContact CG2-CD 3.91Å; V228-K266 HydrophobicContact CG2-CG 3.88Å; I262-K266 WeakPolarHBondContact O-CG 3.14Å; I262-K266 PolarHBondContact O-N 2.96Å; I263-K266 PolarHBondContact O-N 3.38Å; I263-K266 VanDerWaalsContact O-N 3.13Å; K266-N269 PolarHBondContact O-N 3.42Å; K266-A270 WeakPolarHBondContact O-CB 3.26Å; K266-A270 PolarHBondContact O-N 3.32Å |
| 267 | T | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.8 | -50.9 | 172.1 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | L227 I252 L255 I256 I263 R264 N269 A270 L271 | L227-T267 WeakPolarHBondContact CD1-OG1 3.36Å; I252-T267 HydrophobicContact CG2-CG2 4.17Å; I252-T267 VanDerWaalsContact O-CG2 3.29Å; I252-T267 WeakPolarHBondContact O-CG2 3.29Å; L255-T267 WeakPolarHBondContact CB-OG1 3.18Å; I256-T267 HydrophobicContact CG1-CG2 3.68Å; I263-T267 PolarHBondContact O-N 2.65Å; I263-T267 PolarHBondContact O-OG1 2.93Å; R264-T267 PolarHBondContact O-N 2.9Å; T267-N269 PolarHBondContact O-N 2.99Å; T267-A270 PolarHBondContact O-N 2.89Å; T267-L271 HydrophobicContact CG2-CD1 3.88Å; T267-L271 WeakPolarHBondContact O-CB 3.18Å; T267-L271 VanDerWaalsContact O-CG 3.32Å; T267-L271 WeakPolarHBondContact O-CG 3.38Å; T267-L271 PolarHBondContact O-N 3.26Å |
| 268 | Y | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 177.3 | -65.2 | -18.6 | 0 | 0 | 0 | 112.3 | I256 R264 E265 L271 N272 V291 D294 V304 A307 L311 | I256-Y268 HydrophobicContact CB-CE1 4.41Å; I256-Y268 HydrophobicContact CG1-CD1 4.42Å; I256-Y268 HydrophobicContact CG1-CE1 4.02Å; I256-Y268 HydrophobicContact CG2-CE1 3.96Å; R264-Y268 WeakPolarHBondContact CD-OH 3.49Å; R264-Y268 HydrophobicContact CG-CE1 4.05Å; R264-Y268 HydrophobicContact CG-CE2 3.91Å; R264-Y268 PolarHBondContact O-N 3.17Å; E265-Y268 PolarHBondContact O-N 2.9Å; Y268-L271 PolarHBondContact O-N 3.4Å; Y268-N272 WeakPolarHBondContact O-CB 3.39Å; Y268-N272 PolarHBondContact O-N 3.18Å; Y268-V291 HydrophobicContact CD1-CG1 4.48Å; Y268-V291 HydrophobicContact CD1-CG2 4.3Å; Y268-V291 HydrophobicContact CE1-CG1 4.27Å; Y268-V291 HydrophobicContact CE1-CG2 3.9Å; Y268-D294 WeakPolarHBondContact OH-CB 3.25Å; Y268-D294 PolarHBondContact OH-OD2 3.03Å; Y268-V304 HydrophobicContact CD2-CG1 4.06Å; Y268-V304 HydrophobicContact CE2-CG1 3.59Å; Y268-A307 HydrophobicContact CD2-CB 4.31Å; Y268-L311 HydrophobicContact CD1-CD2 4.37Å |
| 269 | N | 98.7 | Very high | 97.2 | Very high | 41 Ų | 41 | 43.9 Ų | 43.9 | 22% | 0.219 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 175.7 | -75.4 | -44.6 | 0 | 0 | 0 | 112.7 | E265 K266 T267 N272 N273 | E265-N269 WeakPolarHBondContact O-CB 3.24Å; E265-N269 PolarHBondContact O-N 3.05Å; E265-N269 PolarHBondContact O-ND2 3.4Å; E265-N269 PolarHBondContact OE1-ND2 3.14Å; K266-N269 PolarHBondContact O-N 3.42Å; T267-N269 PolarHBondContact O-N 2.99Å; N269-N272 WeakPolarHBondContact O-CB 3.42Å; N269-N272 PolarHBondContact O-N 3.35Å; N269-N273 PolarHBondContact O-N 2.86Å; N269-N273 VanDerWaalsContact O-N 3.12Å; N269-N273 PolarHBondContact O-OD1 2.96Å |
| 270 | A | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.8 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | I252 K266 T267 N272 N273 L274 | I252-A270 HydrophobicContact CG2-CB 4.1Å; K266-A270 WeakPolarHBondContact O-CB 3.26Å; K266-A270 PolarHBondContact O-N 3.32Å; T267-A270 PolarHBondContact O-N 2.89Å; A270-N272 VanDerWaalsContact C-N 3.34Å; A270-N272 PolarHBondContact O-N 2.82Å; A270-N273 PolarHBondContact O-N 2.65Å; A270-L274 WeakPolarHBondContact O-CG 3.44Å; A270-L274 PolarHBondContact O-N 3.23Å |
| 271 | L | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.4 | -37.7 | 174.3 | -68.1 | 171.1 | 0 | 0 | 0 | 112.1 | I252 A253 I256 T267 Y268 N273 L274 S275 I284 L311 | I252-L271 HydrophobicContact CB-CD2 4.45Å; I252-L271 HydrophobicContact CG2-CD2 3.94Å; I252-L271 HydrophobicContact CG2-CG 3.86Å; A253-L271 HydrophobicContact CB-CD1 4.41Å; A253-L271 HydrophobicContact CB-CD2 4.44Å; I256-L271 HydrophobicContact CD1-CD1 3.85Å; I256-L271 HydrophobicContact CG1-CD1 4.13Å; T267-L271 HydrophobicContact CG2-CD1 3.88Å; T267-L271 WeakPolarHBondContact O-CB 3.18Å; T267-L271 VanDerWaalsContact O-CG 3.32Å; T267-L271 WeakPolarHBondContact O-CG 3.38Å; T267-L271 PolarHBondContact O-N 3.26Å; Y268-L271 PolarHBondContact O-N 3.4Å; L271-N273 VanDerWaalsContact C-N 3.34Å; L271-N273 PolarHBondContact O-N 2.89Å; L271-L274 PolarHBondContact O-N 2.9Å; L271-S275 WeakPolarHBondContact O-CB 3.16Å; L271-S275 PolarHBondContact O-N 3.05Å; L271-S275 PolarHBondContact O-OG 3.31Å; L271-I284 HydrophobicContact CD2-CD1 4.4Å; L271-I284 HydrophobicContact CD2-CG1 4.27Å; L271-L311 HydrophobicContact CB-CD1 4.14Å; L271-L311 HydrophobicContact CB-CD2 3.76Å; L271-L311 HydrophobicContact CD1-CD2 4.26Å |
| 272 | N | 98.6 | Very high | 97.2 | Very high | 21 Ų | 21 | 30.7 Ų | 30.7 | 11% | 0.112 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 175 | 172.2 | 92.1 | 0 | 0 | 0 | 111.5 | Y268 N269 A270 S275 R310 L311 N314 | Y268-N272 WeakPolarHBondContact O-CB 3.39Å; Y268-N272 PolarHBondContact O-N 3.18Å; N269-N272 WeakPolarHBondContact O-CB 3.42Å; N269-N272 PolarHBondContact O-N 3.35Å; A270-N272 VanDerWaalsContact C-N 3.34Å; A270-N272 PolarHBondContact O-N 2.82Å; N272-S275 PolarHBondContact O-N 3.34Å; N272-S275 PolarHBondContact O-OG 3.45Å; N272-R310 VanDerWaalsContact OD1-C 3.24Å; N272-R310 WeakPolarHBondContact OD1-CB 3.37Å; N272-R310 PolarHBondContact OD1-O 3.02Å; N272-L311 HydrophobicContact CB-CB 4.2Å; N272-L311 PolarHBondContact OD1-N 3.4Å; N272-N314 PolarHBondContact O-ND2 3.09Å; N272-N314 VanDerWaalsContact O-ND2 3.09Å; N272-N314 PolarHBondContact OD1-ND2 3.38Å |
| 273 | N | 98.4 | Very high | 97.2 | Very high | 47 Ų | 47 | 31.3 Ų | 31.3 | 25% | 0.251 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -70.6 | -39 | 178.9 | -67.8 | 2.5 | 0 | 0 | 0 | 111.5 | G231 A234 Q240 N269 A270 L271 S275 V276 | G231-N273 PolarHBondContact O-ND2 3.48Å; A234-N273 HydrophobicContact CB-CB 3.83Å; Q240-N273 PolarHBondContact NE2-O 2.68Å; N269-N273 PolarHBondContact O-N 2.86Å; N269-N273 VanDerWaalsContact O-N 3.12Å; N269-N273 PolarHBondContact O-OD1 2.96Å; A270-N273 PolarHBondContact O-N 2.65Å; L271-N273 VanDerWaalsContact C-N 3.34Å; L271-N273 PolarHBondContact O-N 2.89Å; N273-S275 VanDerWaalsContact C-N 3.34Å; N273-S275 PolarHBondContact O-N 2.83Å; N273-V276 WeakPolarHBondContact O-CG2 3.28Å; N273-V276 PolarHBondContact O-N 3.33Å |
| 274 | L | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.3 | -39.3 | 172.8 | -69.6 | 168.3 | 0 | 0 | 0 | 112.3 | A234 I243 V249 I252 A270 L271 V276 N277 N280 I284 | A234-L274 HydrophobicContact CB-CD2 3.62Å; A234-L274 HydrophobicContact CB-CG 3.74Å; I243-L274 HydrophobicContact CB-CD2 3.88Å; I243-L274 HydrophobicContact CD1-CD2 4.13Å; I243-L274 HydrophobicContact CG2-CD1 3.91Å; I243-L274 HydrophobicContact CG2-CD2 3.78Å; V249-L274 HydrophobicContact CG2-CD1 4.17Å; I252-L274 HydrophobicContact CD1-CD1 3.81Å; A270-L274 WeakPolarHBondContact O-CG 3.44Å; A270-L274 PolarHBondContact O-N 3.23Å; L271-L274 PolarHBondContact O-N 2.9Å; L274-V276 PolarHBondContact O-N 2.87Å; L274-N277 PolarHBondContact O-N 3.39Å; L274-N280 WeakPolarHBondContact O-CB 3.49Å; L274-N280 PolarHBondContact O-ND2 3.26Å; L274-I284 HydrophobicContact CB-CD1 4.02Å |
| 275 | S | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -2.3 | -179.1 | 71.5 | 0 | 0 | 0 | 0 | 115.4 | L271 N272 N273 N277 Q281 N314 | L271-S275 WeakPolarHBondContact O-CB 3.16Å; L271-S275 PolarHBondContact O-N 3.05Å; L271-S275 PolarHBondContact O-OG 3.31Å; N272-S275 PolarHBondContact O-N 3.34Å; N272-S275 PolarHBondContact O-OG 3.45Å; N273-S275 VanDerWaalsContact C-N 3.34Å; N273-S275 PolarHBondContact O-N 2.83Å; S275-N277 VanDerWaalsContact C-N 3.26Å; S275-Q281 VanDerWaalsContact O-CG 3.27Å; S275-Q281 WeakPolarHBondContact O-CG 3.17Å; S275-Q281 PolarHBondContact O-NE2 3.03Å; S275-N314 VanDerWaalsContact OG-CB 3.32Å; S275-N314 WeakPolarHBondContact OG-CB 3.2Å |
| 276 | V | 94.5 | Very high | 97.1 | Very high | 78 Ų | 78 | 37 Ų | 37 | 47% | 0.473 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -25.4 | 171.3 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | N273 L274 | N273-V276 WeakPolarHBondContact O-CG2 3.28Å; N273-V276 PolarHBondContact O-N 3.33Å; L274-V276 PolarHBondContact O-N 2.87Å |
| 277 | N | 94.6 | Very high | 97 | Very high | 29 Ų | 29 | 38.1 Ų | 38.1 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -90.4 | 135.4 | 171.8 | 168.2 | -74.7 | 0 | 0 | 0 | 110.8 | Q240 N241 R244 L274 S275 E279 N280 Q281 | Q240-N277 HydrophobicContact CB-CB 4.31Å; N241-N277 PolarHBondContact OD1-ND2 3.47Å; N241-N277 VanDerWaalsContact OD1-ND2 3.13Å; R244-N277 PolarHBondContact NH1-OD1 3.31Å; L274-N277 PolarHBondContact O-N 3.39Å; S275-N277 VanDerWaalsContact C-N 3.26Å; N277-E279 WeakPolarHBondContact OD1-CA 3.41Å; N277-E279 WeakPolarHBondContact OD1-CB 3.23Å; N277-E279 PolarHBondContact OD1-N 3.41Å; N277-N280 HydrophobicContact CB-CB 4.18Å; N277-N280 WeakPolarHBondContact O-CB 3.47Å; N277-N280 PolarHBondContact O-N 3.13Å; N277-N280 PolarHBondContact OD1-N 3.4Å; N277-Q281 WeakPolarHBondContact O-CG 3.26Å; N277-Q281 PolarHBondContact O-N 3.22Å; N277-Q281 VanDerWaalsContact O-N 3.12Å |
| 278 | A | 93.1 | Very high | 97 | Very high | 76 Ų | 76 | 38.2 Ų | 38.2 | 63% | 0.628 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -67.2 | -39.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | N280 Q281 G282 | A278-N280 VanDerWaalsContact C-N 3.26Å; A278-N280 PolarHBondContact O-N 3.05Å; A278-Q281 WeakPolarHBondContact O-CB 3.29Å; A278-Q281 PolarHBondContact O-N 2.81Å; A278-Q281 VanDerWaalsContact O-N 3.1Å; A278-G282 PolarHBondContact O-N 3.05Å; A278-G282 VanDerWaalsContact O-N 3.08Å |
| 279 | E | 94.1 | Very high | 96.9 | Very high | 109 Ų | 109 | 40.2 Ų | 40.2 | 51% | 0.509 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.7 | -33.2 | 175.4 | -57.3 | 167 | -100.2 | 0 | 0 | 111.5 | R244 N277 G282 K283 | R244-E279 VanDerWaalsContact CZ-CD 3.47Å; R244-E279 IonicContact CZ-OE1 2.7Å; R244-E279 IonicContact CZ-OE2 3.53Å; R244-E279 IonicContact NE-OE2 3.99Å; R244-E279 PolarHBondContact NE-OE2 2.84Å; R244-E279 IonicContact NH1-OE1 2.63Å; R244-E279 IonicContact NH2-OE1 2.73Å; R244-E279 PolarHBondContact NH2-OE1 2.89Å; R244-E279 IonicContact NH2-OE2 2.85Å; R244-E279 PolarHBondContact NH2-OE2 3.09Å; N277-E279 WeakPolarHBondContact OD1-CA 3.41Å; N277-E279 WeakPolarHBondContact OD1-CB 3.23Å; N277-E279 PolarHBondContact OD1-N 3.41Å; E279-G282 PolarHBondContact O-N 3.37Å; E279-K283 PolarHBondContact O-N 2.94Å |
| 280 | N | 96.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 171.9 | -70.7 | -0.9 | 0 | 0 | 0 | 110.9 | Q240 R244 L274 N277 A278 G282 K283 I284 | Q240-N280 PolarHBondContact O-ND2 3.47Å; Q240-N280 PolarHBondContact O-OD1 3.21Å; R244-N280 WeakPolarHBondContact CB-OD1 3.39Å; R244-N280 WeakPolarHBondContact CD-OD1 3.42Å; R244-N280 WeakPolarHBondContact CG-OD1 3.38Å; R244-N280 PolarHBondContact NH1-OD1 2.88Å; L274-N280 WeakPolarHBondContact O-CB 3.49Å; L274-N280 PolarHBondContact O-ND2 3.26Å; N277-N280 HydrophobicContact CB-CB 4.18Å; N277-N280 WeakPolarHBondContact O-CB 3.47Å; N277-N280 PolarHBondContact O-N 3.13Å; N277-N280 PolarHBondContact OD1-N 3.4Å; A278-N280 VanDerWaalsContact C-N 3.26Å; A278-N280 PolarHBondContact O-N 3.05Å; N280-G282 PolarHBondContact O-N 3.39Å; N280-K283 PolarHBondContact O-N 3.32Å; N280-K283 VanDerWaalsContact O-N 3.08Å; N280-I284 HydrophobicContact CB-CD1 4.24Å; N280-I284 WeakPolarHBondContact O-CB 3.5Å; N280-I284 WeakPolarHBondContact O-CG1 3.42Å; N280-I284 PolarHBondContact O-N 2.87Å |
| 281 | Q | 96.3 | Very high | 96.9 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.8 | -40.4 | 172.2 | -56.1 | -163.6 | -8.3 | 0 | 0 | 111.2 | S275 N277 A278 K283 I284 K285 N314 M315 Y321 | S275-Q281 VanDerWaalsContact O-CG 3.27Å; S275-Q281 WeakPolarHBondContact O-CG 3.17Å; S275-Q281 PolarHBondContact O-NE2 3.03Å; N277-Q281 WeakPolarHBondContact O-CG 3.26Å; N277-Q281 PolarHBondContact O-N 3.22Å; N277-Q281 VanDerWaalsContact O-N 3.12Å; A278-Q281 WeakPolarHBondContact O-CB 3.29Å; A278-Q281 PolarHBondContact O-N 2.81Å; A278-Q281 VanDerWaalsContact O-N 3.1Å; Q281-K283 VanDerWaalsContact C-N 3.26Å; Q281-K283 PolarHBondContact O-N 2.82Å; Q281-I284 PolarHBondContact O-N 3.39Å; Q281-I284 VanDerWaalsContact O-N 3.08Å; Q281-K285 PolarHBondContact O-N 3.42Å; Q281-N314 PolarHBondContact NE2-O 3.13Å; Q281-N314 VanDerWaalsContact NE2-O 3.14Å; Q281-M315 HydrophobicContact CB-CE 3.78Å; Q281-M315 HydrophobicContact CB-SD 3.79Å; Q281-M315 HydrophobicContact CG-CE 4.32Å; Q281-M315 HydrophobicContact CG-SD 3.69Å; Q281-Y321 HydrophobicContact CB-CD2 4.27Å; Q281-Y321 HydrophobicContact CB-CE2 3.54Å |
| 282 | G | 95.5 | Very high | 96.8 | Very high | 30 Ų | 30 | 41.3 Ų | 41.3 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -55.6 | -33.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A278 E279 N280 K285 | A278-G282 PolarHBondContact O-N 3.05Å; A278-G282 VanDerWaalsContact O-N 3.08Å; E279-G282 PolarHBondContact O-N 3.37Å; N280-G282 PolarHBondContact O-N 3.39Å; G282-K285 WeakPolarHBondContact O-CE 3.33Å; G282-K285 WeakPolarHBondContact O-CG 3.19Å |
| 283 | K | 96.3 | Very high | 96.8 | Very high | 92 Ų | 92 | 43.5 Ų | 43.5 | 40% | 0.4 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -86.7 | -32.4 | 171.4 | -63.4 | -162.8 | -172.7 | -177.3 | 0 | 113.4 | R244 V249 E279 N280 Q281 T286 | R244-K283 HydrophobicContact CG-CD 3.86Å; R244-K283 PolarHBondContact O-NZ 3.07Å; V249-K283 HydrophobicContact CG1-CB 4.03Å; E279-K283 PolarHBondContact O-N 2.94Å; N280-K283 PolarHBondContact O-N 3.32Å; N280-K283 VanDerWaalsContact O-N 3.08Å; Q281-K283 VanDerWaalsContact C-N 3.26Å; Q281-K283 PolarHBondContact O-N 2.82Å; K283-T286 PolarHBondContact O-OG1 2.92Å; K283-T286 VanDerWaalsContact O-OG1 3.14Å |
| 284 | I | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -76.3 | -26.2 | -176.2 | -68.4 | 167.1 | 0 | 0 | 0 | 112.2 | V249 L271 L274 N280 Q281 T286 Y287 I288 L311 M315 | V249-I284 HydrophobicContact CG1-CG1 3.76Å; L271-I284 HydrophobicContact CD2-CD1 4.4Å; L271-I284 HydrophobicContact CD2-CG1 4.27Å; L274-I284 HydrophobicContact CB-CD1 4.02Å; N280-I284 HydrophobicContact CB-CD1 4.24Å; N280-I284 WeakPolarHBondContact O-CB 3.5Å; N280-I284 WeakPolarHBondContact O-CG1 3.42Å; N280-I284 PolarHBondContact O-N 2.87Å; Q281-I284 PolarHBondContact O-N 3.39Å; Q281-I284 VanDerWaalsContact O-N 3.08Å; I284-T286 PolarHBondContact O-N 3.42Å; I284-Y287 PolarHBondContact O-N 2.93Å; I284-I288 HydrophobicContact CG2-CG2 4.06Å; I284-L311 HydrophobicContact CG2-CD1 4.32Å; I284-M315 HydrophobicContact CB-CE 4.2Å; I284-M315 HydrophobicContact CB-SD 4.06Å; I284-M315 HydrophobicContact CG2-CE 4.04Å; I284-M315 HydrophobicContact CG2-CG 4.35Å; I284-M315 HydrophobicContact CG2-SD 3.68Å |
| 285 | K | 97.1 | Very high | 96.7 | Very high | 97 Ų | 97 | 42.8 Ų | 42.8 | 42% | 0.422 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -25.7 | -178.3 | 75.2 | -177.9 | -176.4 | 172.2 | 0 | 114.8 | Q281 G282 Y287 I288 M315 Y321 | Q281-K285 PolarHBondContact O-N 3.42Å; G282-K285 WeakPolarHBondContact O-CE 3.33Å; G282-K285 WeakPolarHBondContact O-CG 3.19Å; K285-Y287 PolarHBondContact O-N 2.97Å; K285-I288 WeakPolarHBondContact O-CG1 3.41Å; K285-M315 HydrophobicContact CB-CE 4.3Å; K285-Y321 HydrophobicContact CB-CD1 3.78Å; K285-Y321 HydrophobicContact CB-CE1 3.85Å; K285-Y321 HydrophobicContact CB-CG 4.31Å; K285-Y321 HydrophobicContact CD-CD1 4.08Å; K285-Y321 HydrophobicContact CD-CE1 3.51Å; K285-Y321 HydrophobicContact CG-CE1 4.29Å |
| 286 | T | 97.3 | Very high | 96.7 | Very high | 99 Ų | 99 | 44.5 Ų | 44.5 | 61% | 0.607 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -15.1 | 178.4 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | K283 I284 | K283-T286 PolarHBondContact O-OG1 2.92Å; K283-T286 VanDerWaalsContact O-OG1 3.14Å; I284-T286 PolarHBondContact O-N 3.42Å |
| 287 | Y | 98.1 | Very high | 96.6 | Very high | 63 Ų | 63 | 46.9 Ų | 46.9 | 25% | 0.247 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -14.1 | -178.2 | -50.6 | -68.5 | 0 | 0 | 0 | 113.8 | V249 A253 I256 I284 K285 S289 Q290 V291 | V249-Y287 HydrophobicContact CG1-CE2 4.34Å; A253-Y287 HydrophobicContact CB-CD1 3.93Å; A253-Y287 HydrophobicContact CB-CD2 3.61Å; A253-Y287 HydrophobicContact CB-CE1 3.77Å; A253-Y287 HydrophobicContact CB-CE2 3.44Å; A253-Y287 VanDerWaalsContact CB-CE2 3.44Å; A253-Y287 HydrophobicContact CB-CG 3.86Å; I256-Y287 HydrophobicContact CD1-CD1 4.45Å; I256-Y287 HydrophobicContact CD1-CG 4.17Å; I284-Y287 PolarHBondContact O-N 2.93Å; K285-Y287 PolarHBondContact O-N 2.97Å; Y287-S289 PolarHBondContact O-N 3.22Å; Y287-Q290 WeakPolarHBondContact O-CB 3.47Å; Y287-Q290 PolarHBondContact O-N 3.17Å; Y287-V291 WeakPolarHBondContact O-CG2 3.41Å; Y287-V291 PolarHBondContact O-N 2.99Å |
| 288 | I | 97.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68 | -28.9 | -166.3 | 61 | 95.4 | 0 | 0 | 0 | 114.6 | I284 K285 V291 C292 M315 L324 L325 | I284-I288 HydrophobicContact CG2-CG2 4.06Å; K285-I288 WeakPolarHBondContact O-CG1 3.41Å; I288-V291 PolarHBondContact O-N 3.13Å; I288-C292 WeakPolarHBondContact O-CB 3.43Å; I288-C292 PolarHBondContact O-N 2.8Å; I288-M315 HydrophobicContact CG2-CB 4.31Å; I288-M315 HydrophobicContact CG2-CE 3.77Å; I288-M315 HydrophobicContact CG2-CG 3.84Å; I288-M315 HydrophobicContact CG2-SD 4.4Å; I288-L324 HydrophobicContact CD1-CB 3.54Å; I288-L324 HydrophobicContact CD1-CD1 4Å; I288-L324 HydrophobicContact CD1-CG 4.43Å; I288-L324 HydrophobicContact CG1-CD1 4.35Å; I288-L325 HydrophobicContact CD1-CD1 4.42Å; I288-L325 HydrophobicContact CD1-CD2 3.63Å; I288-L325 HydrophobicContact CD1-CG 3.86Å |
| 289 | S | 97.9 | Very high | 96.7 | Very high | 43 Ų | 43 | 52.7 Ų | 52.7 | 30% | 0.301 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.3 | -45.4 | 174.3 | -49.7 | 0 | 0 | 0 | 0 | 110.9 | Y287 V291 C292 D293 Y327 | Y287-S289 PolarHBondContact O-N 3.22Å; S289-V291 VanDerWaalsContact C-N 3.31Å; S289-V291 PolarHBondContact O-N 3.11Å; S289-C292 WeakPolarHBondContact O-CA 3.27Å; S289-C292 VanDerWaalsContact O-CB 3.24Å; S289-C292 WeakPolarHBondContact O-CB 3.36Å; S289-C292 PolarHBondContact O-N 3.18Å; S289-D293 PolarHBondContact O-N 3.35Å; S289-Y327 PolarHBondContact O-OH 3.01Å |
| 290 | Q | 97.6 | Very high | 96.9 | Very high | 65 Ų | 65 | 50.9 Ų | 50.9 | 30% | 0.304 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.1 | -42.7 | 171 | 179.5 | 78.3 | 78.8 | 0 | 0 | 111.5 | I256 K257 Y287 C292 D293 D294 | I256-Q290 HydrophobicContact CG2-CG 3.97Å; K257-Q290 VanDerWaalsContact CE-OE1 3.24Å; Y287-Q290 WeakPolarHBondContact O-CB 3.47Å; Y287-Q290 PolarHBondContact O-N 3.17Å; Q290-C292 VanDerWaalsContact C-N 3.27Å; Q290-C292 PolarHBondContact O-N 2.98Å; Q290-D293 PolarHBondContact O-N 3.43Å; Q290-D294 PolarHBondContact NE2-OD1 3.11Å; Q290-D294 VanDerWaalsContact O-CB 3.26Å; Q290-D294 WeakPolarHBondContact O-CB 3.26Å; Q290-D294 PolarHBondContact O-N 3.33Å |
| 291 | V | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.6 | -38.1 | 173.8 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | I256 Y268 Y287 I288 S289 T295 L311 L312 | I256-V291 HydrophobicContact CD1-CG2 3.97Å; Y268-V291 HydrophobicContact CD1-CG1 4.48Å; Y268-V291 HydrophobicContact CD1-CG2 4.3Å; Y268-V291 HydrophobicContact CE1-CG1 4.27Å; Y268-V291 HydrophobicContact CE1-CG2 3.9Å; Y287-V291 WeakPolarHBondContact O-CG2 3.41Å; Y287-V291 PolarHBondContact O-N 2.99Å; I288-V291 PolarHBondContact O-N 3.13Å; S289-V291 VanDerWaalsContact C-N 3.31Å; S289-V291 PolarHBondContact O-N 3.11Å; V291-T295 WeakPolarHBondContact O-CB 3.38Å; V291-T295 PolarHBondContact O-N 3.13Å; V291-T295 PolarHBondContact O-OG1 3.47Å; V291-L311 HydrophobicContact CG1-CD2 3.96Å; V291-L311 HydrophobicContact CG1-CG 4.37Å; V291-L311 HydrophobicContact CG2-CD2 4.06Å; V291-L312 HydrophobicContact CB-CD2 4.48Å; V291-L312 HydrophobicContact CG1-CD2 4.11Å; V291-L312 HydrophobicContact CG1-CG 4.11Å |
| 292 | C | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64 | -54.6 | 176.7 | -161.4 | 0 | 0 | 0 | 0 | 111.5 | I288 S289 Q290 D294 T295 M296 L312 L325 S328 | I288-C292 WeakPolarHBondContact O-CB 3.43Å; I288-C292 PolarHBondContact O-N 2.8Å; S289-C292 WeakPolarHBondContact O-CA 3.27Å; S289-C292 VanDerWaalsContact O-CB 3.24Å; S289-C292 WeakPolarHBondContact O-CB 3.36Å; S289-C292 PolarHBondContact O-N 3.18Å; Q290-C292 VanDerWaalsContact C-N 3.27Å; Q290-C292 PolarHBondContact O-N 2.98Å; C292-D294 PolarHBondContact O-N 3.33Å; C292-T295 WeakPolarHBondContact O-CA 3.49Å; C292-T295 WeakPolarHBondContact O-CB 3.47Å; C292-T295 PolarHBondContact O-N 3.33Å; C292-M296 WeakPolarHBondContact O-CG 3.32Å; C292-M296 PolarHBondContact O-N 3.06Å; C292-L312 HydrophobicContact CB-CD1 4.36Å; C292-L312 HydrophobicContact CB-CD2 4.15Å; C292-L325 HydrophobicContact CB-CD2 3.61Å; C292-S328 VanDerWaalsContact SG-CB 3.55Å; C292-S328 PolarHBondContact SG-OG 3.31Å |
| 293 | D | 97.9 | Very high | 97.2 | Very high | 67 Ų | 67 | 55.3 Ų | 55.3 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.8 | -49.3 | 179.8 | -55.2 | -25.7 | 0 | 0 | 0 | 110.7 | S289 Q290 T295 M296 V297 Y327 | S289-D293 PolarHBondContact O-N 3.35Å; Q290-D293 PolarHBondContact O-N 3.43Å; D293-T295 VanDerWaalsContact C-N 3.27Å; D293-T295 PolarHBondContact O-N 3.44Å; D293-M296 PolarHBondContact O-N 3.16Å; D293-V297 WeakPolarHBondContact O-CB 3.33Å; D293-V297 WeakPolarHBondContact O-CG2 3.37Å; D293-V297 PolarHBondContact O-N 2.62Å; D293-Y327 WeakPolarHBondContact OD1-CE2 3.24Å; D293-Y327 PolarHBondContact OD1-OH 3.14Å |
| 294 | D | 96.6 | Very high | 97.3 | Very high | 32 Ų | 32 | 51.1 Ų | 51.1 | 17% | 0.171 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.1 | -39.6 | 175.6 | -68.9 | -10 | 0 | 0 | 0 | 111.7 | I256 Y268 Q290 C292 C298 | I256-D294 WeakPolarHBondContact CG2-OD2 3.35Å; Y268-D294 WeakPolarHBondContact OH-CB 3.25Å; Y268-D294 PolarHBondContact OH-OD2 3.03Å; Q290-D294 PolarHBondContact NE2-OD1 3.11Å; Q290-D294 VanDerWaalsContact O-CB 3.26Å; Q290-D294 WeakPolarHBondContact O-CB 3.26Å; Q290-D294 PolarHBondContact O-N 3.33Å; C292-D294 PolarHBondContact O-N 3.33Å; D294-C298 VanDerWaalsContact O-CB 3.24Å; D294-C298 WeakPolarHBondContact O-CB 2.75Å; D294-C298 PolarHBondContact O-N 2.86Å; D294-C298 PolarHBondContact O-SG 3.42Å |
| 295 | T | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.6 | -35.9 | -178.4 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | V291 C292 D293 Q305 G308 L309 L312 | V291-T295 WeakPolarHBondContact O-CB 3.38Å; V291-T295 PolarHBondContact O-N 3.13Å; V291-T295 PolarHBondContact O-OG1 3.47Å; C292-T295 WeakPolarHBondContact O-CA 3.49Å; C292-T295 WeakPolarHBondContact O-CB 3.47Å; C292-T295 PolarHBondContact O-N 3.33Å; D293-T295 VanDerWaalsContact C-N 3.27Å; D293-T295 PolarHBondContact O-N 3.44Å; T295-Q305 HydrophobicContact CG2-CG 3.96Å; T295-Q305 PolarHBondContact O-NE2 3.22Å; T295-G308 WeakPolarHBondContact OG1-CA 3.49Å; T295-L309 HydrophobicContact CG2-CD2 3.93Å; T295-L309 HydrophobicContact CG2-CG 3.71Å; T295-L312 HydrophobicContact CG2-CD1 4.32Å |
| 296 | M | 96.3 | Very high | 97.4 | Very high | 37 Ų | 37 | 47.7 Ų | 47.7 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.7 | -39.4 | 176.4 | -60.3 | -47.4 | 104.8 | 0 | 0 | 111.3 | C292 D293 L309 D331 F332 L335 | C292-M296 WeakPolarHBondContact O-CG 3.32Å; C292-M296 PolarHBondContact O-N 3.06Å; D293-M296 PolarHBondContact O-N 3.16Å; M296-L309 HydrophobicContact CE-CD2 4.33Å; M296-D331 HydrophobicContact CB-CB 4.48Å; M296-D331 HydrophobicContact CG-CB 3.81Å; M296-D331 HydrophobicContact SD-CB 3.6Å; M296-F332 HydrophobicContact CE-CD1 3.82Å; M296-F332 HydrophobicContact CE-CE1 3.52Å; M296-F332 HydrophobicContact SD-CD1 3.98Å; M296-F332 HydrophobicContact SD-CE1 4.1Å; M296-L335 HydrophobicContact CE-CD1 3.79Å; M296-L335 HydrophobicContact SD-CD1 3.59Å; M296-L335 VanDerWaalsContact SD-CD1 3.59Å; M296-L335 HydrophobicContact SD-CG 4.34Å |
| 297 | V | 94.1 | Very high | 97.4 | Very high | 128 Ų | 128 | 43.1 Ų | 43.1 | 78% | 0.776 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -81.1 | -20.3 | -178.8 | 177.4 | 0 | 0 | 0 | 0 | 113 | D293 | D293-V297 WeakPolarHBondContact O-CB 3.33Å; D293-V297 WeakPolarHBondContact O-CG2 3.37Å; D293-V297 PolarHBondContact O-N 2.62Å |
| 298 | C | 93.6 | Very high | 97.5 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 10% | 0.095 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -59.8 | 151.3 | 175 | -88 | 0 | 0 | 0 | 0 | 112.7 | R264 D294 L300 V304 Q305 | R264-C298 PolarHBondContact NH2-SG 3.1Å; D294-C298 VanDerWaalsContact O-CB 3.24Å; D294-C298 WeakPolarHBondContact O-CB 2.75Å; D294-C298 PolarHBondContact O-N 2.86Å; D294-C298 PolarHBondContact O-SG 3.42Å; C298-L300 PolarHBondContact O-N 3.47Å; C298-L300 VanDerWaalsContact O-N 3.16Å; C298-V304 VanDerWaalsContact SG-CG1 3.53Å; C298-Q305 HydrophobicContact CB-CB 4.26Å; C298-Q305 PolarHBondContact O-NE2 2.95Å |
| 299 | R | 96.6 | Very high | 97.5 | Very high | 213 Ų | 213 | 40 Ų | 40 | 80% | 0.804 | 21% | 0.213 | S | C | * | . | P | Polyproline II helix | trans | -49.9 | 125.1 | 173.7 | 175.7 | 179.2 | 173.8 | 173 | 1.1 | 109.9 | D301 S302 | R299-D301 PolarHBondContact O-N 3.14Å; R299-S302 WeakPolarHBondContact O-CB 3.29Å; R299-S302 PolarHBondContact O-N 2.86Å; R299-S302 PolarHBondContact O-OG 3.4Å |
| 300 | L | 97.8 | Very high | 97.6 | Very high | 71 Ų | 71 | 43.5 Ų | 43.5 | 37% | 0.372 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | 135.4 | 176.8 | -172.7 | 66 | 0 | 0 | 0 | 111.1 | C298 S302 L335 L338 | C298-L300 PolarHBondContact O-N 3.47Å; C298-L300 VanDerWaalsContact O-N 3.16Å; L300-S302 PolarHBondContact O-N 3.22Å; L300-S302 VanDerWaalsContact O-N 3.13Å; L300-L335 HydrophobicContact CD1-CD2 3.64Å; L300-L338 HydrophobicContact CD1-CB 4.43Å; L300-L338 HydrophobicContact CD2-CB 4.06Å |
| 301 | D | 97.6 | Very high | 97.6 | Very high | 57 Ų | 57 | 40.4 Ų | 40.4 | 31% | 0.305 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 12 | 179.5 | -61.8 | -18.5 | 0 | 0 | 0 | 115.5 | R299 G339 N340 T343 | R299-D301 PolarHBondContact O-N 3.14Å; D301-G339 VanDerWaalsContact OD1-CA 3.27Å; D301-G339 WeakPolarHBondContact OD1-CA 3.2Å; D301-N340 VanDerWaalsContact CB-ND2 3.29Å; D301-N340 WeakPolarHBondContact CB-ND2 3.46Å; D301-N340 PolarHBondContact OD1-N 2.7Å; D301-N340 PolarHBondContact OD1-ND2 3.26Å; D301-N340 WeakPolarHBondContact OD2-CB 3.33Å; D301-N340 PolarHBondContact OD2-N 3.47Å; D301-N340 VanDerWaalsContact OD2-N 3.12Å; D301-N340 PolarHBondContact OD2-ND2 2.83Å; D301-T343 WeakPolarHBondContact OD1-CB 3.44Å; D301-T343 PolarHBondContact OD1-OG1 3.46Å |
| 302 | S | 98 | Very high | 97.6 | Very high | 27 Ų | 27 | 40.3 Ų | 40.3 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | trans | -68.5 | 153.4 | 174.4 | 63.1 | 0 | 0 | 0 | 0 | 112.3 | R299 L300 V304 Q305 M306 | R299-S302 WeakPolarHBondContact O-CB 3.29Å; R299-S302 PolarHBondContact O-N 2.86Å; R299-S302 PolarHBondContact O-OG 3.4Å; L300-S302 PolarHBondContact O-N 3.22Å; L300-S302 VanDerWaalsContact O-N 3.13Å; S302-V304 PolarHBondContact O-N 3.26Å; S302-Q305 PolarHBondContact O-N 3.32Å; S302-Q305 VanDerWaalsContact O-N 3.08Å; S302-Q305 PolarHBondContact OG-N 2.95Å; S302-M306 PolarHBondContact O-N 3.07Å | ||
| 303 | A | 98 | Very high | 97.6 | Very high | 53 Ų | 53 | 41 Ų | 41 | 44% | 0.438 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.3 | -33.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | E265 M306 A307 | E265-A303 HydrophobicContact CG-CB 3.96Å; E265-A303 VanDerWaalsContact OE2-CB 3.31Å; E265-A303 WeakPolarHBondContact OE2-CB 3.43Å; A303-M306 PolarHBondContact O-N 3.45Å; A303-A307 WeakPolarHBondContact O-CB 3.09Å; A303-A307 PolarHBondContact O-N 2.97Å |
| 304 | V | 98.3 | Very high | 97.6 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.03 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.3 | -51.1 | 173 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | P261 R264 E265 Y268 C298 S302 M306 A307 G308 | P261-V304 HydrophobicContact CB-CG2 3.72Å; P261-V304 WeakPolarHBondContact O-CG2 3.3Å; R264-V304 HydrophobicContact CB-CG1 4.38Å; R264-V304 HydrophobicContact CG-CG1 4.15Å; E265-V304 HydrophobicContact CB-CG2 4.17Å; Y268-V304 HydrophobicContact CD2-CG1 4.06Å; Y268-V304 HydrophobicContact CE2-CG1 3.59Å; C298-V304 VanDerWaalsContact SG-CG1 3.53Å; S302-V304 PolarHBondContact O-N 3.26Å; V304-M306 VanDerWaalsContact C-N 3.32Å; V304-M306 PolarHBondContact O-N 2.91Å; V304-A307 PolarHBondContact O-N 3.42Å; V304-G308 PolarHBondContact O-N 2.91Å |
| 305 | Q | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -41 | 177.6 | -179.3 | 170.2 | 81.2 | 0 | 0 | 111.3 | T295 C298 S302 A307 G308 L309 | T295-Q305 HydrophobicContact CG2-CG 3.96Å; T295-Q305 PolarHBondContact O-NE2 3.22Å; C298-Q305 HydrophobicContact CB-CB 4.26Å; C298-Q305 PolarHBondContact O-NE2 2.95Å; S302-Q305 PolarHBondContact O-N 3.32Å; S302-Q305 VanDerWaalsContact O-N 3.08Å; S302-Q305 PolarHBondContact OG-N 2.95Å; Q305-A307 PolarHBondContact O-N 3.24Å; Q305-G308 PolarHBondContact O-N 3.25Å; Q305-L309 HydrophobicContact CG-CD1 4.1Å; Q305-L309 HydrophobicContact CG-CG 4.41Å; Q305-L309 WeakPolarHBondContact O-CB 3.17Å; Q305-L309 VanDerWaalsContact O-CG 3.29Å; Q305-L309 WeakPolarHBondContact O-CG 3.43Å; Q305-L309 PolarHBondContact O-N 3.42Å |
| 306 | M | 98.6 | Very high | 97.5 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 175.7 | -71.1 | -58.7 | -57.2 | 0 | 0 | 113.3 | S302 A303 V304 R310 F342 Q346 | S302-M306 PolarHBondContact O-N 3.07Å; A303-M306 PolarHBondContact O-N 3.45Å; V304-M306 VanDerWaalsContact C-N 3.32Å; V304-M306 PolarHBondContact O-N 2.91Å; M306-R310 WeakPolarHBondContact O-CD 3.26Å; M306-R310 VanDerWaalsContact O-CG 3.22Å; M306-R310 WeakPolarHBondContact O-CG 3.21Å; M306-R310 PolarHBondContact O-N 3.41Å; M306-F342 HydrophobicContact CE-CB 4.01Å; M306-Q346 HydrophobicContact CE-CB 3.94Å; M306-Q346 HydrophobicContact CE-CG 4.42Å |
| 307 | A | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.017 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.6 | -40.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E265 Y268 A303 V304 Q305 R310 L311 | E265-A307 HydrophobicContact CG-CB 4.18Å; Y268-A307 HydrophobicContact CD2-CB 4.31Å; A303-A307 WeakPolarHBondContact O-CB 3.09Å; A303-A307 PolarHBondContact O-N 2.97Å; V304-A307 PolarHBondContact O-N 3.42Å; Q305-A307 PolarHBondContact O-N 3.24Å; A307-R310 PolarHBondContact O-N 3.41Å; A307-L311 PolarHBondContact O-N 2.86Å |
| 308 | G | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -50.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T295 V304 Q305 R310 L311 L312 | T295-G308 WeakPolarHBondContact OG1-CA 3.49Å; V304-G308 PolarHBondContact O-N 2.91Å; Q305-G308 PolarHBondContact O-N 3.25Å; G308-R310 VanDerWaalsContact C-N 3.26Å; G308-R310 PolarHBondContact O-N 3.32Å; G308-L311 PolarHBondContact O-N 3.37Å; G308-L311 VanDerWaalsContact O-N 3.17Å; G308-L312 VanDerWaalsContact O-CG 3.29Å; G308-L312 WeakPolarHBondContact O-CG 3.38Å; G308-L312 PolarHBondContact O-N 3.37Å |
| 309 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.4 | -36.5 | 175.2 | -72.9 | 172.5 | 0 | 0 | 0 | 112.5 | T295 M296 Q305 T313 L335 T343 Q346 L350 | T295-L309 HydrophobicContact CG2-CD2 3.93Å; T295-L309 HydrophobicContact CG2-CG 3.71Å; M296-L309 HydrophobicContact CE-CD2 4.33Å; Q305-L309 HydrophobicContact CG-CD1 4.1Å; Q305-L309 HydrophobicContact CG-CG 4.41Å; Q305-L309 WeakPolarHBondContact O-CB 3.17Å; Q305-L309 VanDerWaalsContact O-CG 3.29Å; Q305-L309 WeakPolarHBondContact O-CG 3.43Å; Q305-L309 PolarHBondContact O-N 3.42Å; L309-T313 WeakPolarHBondContact O-CB 3.5Å; L309-T313 PolarHBondContact O-N 2.96Å; L309-T313 PolarHBondContact O-OG1 3.24Å; L309-L335 HydrophobicContact CD2-CD1 4.16Å; L309-T343 HydrophobicContact CD1-CG2 4.01Å; L309-Q346 HydrophobicContact CB-CB 4.46Å; L309-Q346 HydrophobicContact CB-CG 3.68Å; L309-L350 HydrophobicContact CD2-CD2 4.12Å |
| 310 | R | 98.6 | Very high | 96.9 | Very high | 115 Ų | 115 | 33.1 Ų | 33.1 | 43% | 0.434 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.6 | -49.1 | 174.4 | -76.5 | 168.3 | 177.5 | 179.1 | 0.1 | 112.2 | N272 M306 A307 G308 L312 T313 N314 Q346 | N272-R310 VanDerWaalsContact OD1-C 3.24Å; N272-R310 WeakPolarHBondContact OD1-CB 3.37Å; N272-R310 PolarHBondContact OD1-O 3.02Å; M306-R310 WeakPolarHBondContact O-CD 3.26Å; M306-R310 VanDerWaalsContact O-CG 3.22Å; M306-R310 WeakPolarHBondContact O-CG 3.21Å; M306-R310 PolarHBondContact O-N 3.41Å; A307-R310 PolarHBondContact O-N 3.41Å; G308-R310 VanDerWaalsContact C-N 3.26Å; G308-R310 PolarHBondContact O-N 3.32Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-L312 PolarHBondContact O-N 3.46Å; R310-T313 WeakPolarHBondContact O-CA 3.41Å; R310-T313 WeakPolarHBondContact O-CB 3.38Å; R310-T313 PolarHBondContact O-N 3.5Å; R310-N314 PolarHBondContact O-N 2.94Å; R310-Q346 HydrophobicContact CG-CG 4.22Å |
| 311 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.4 | -46.3 | 175.8 | 171.9 | 54.4 | 0 | 0 | 0 | 111.4 | Y268 L271 N272 I284 V291 A307 G308 T313 N314 M315 | Y268-L311 HydrophobicContact CD1-CD2 4.37Å; L271-L311 HydrophobicContact CB-CD1 4.14Å; L271-L311 HydrophobicContact CB-CD2 3.76Å; L271-L311 HydrophobicContact CD1-CD2 4.26Å; N272-L311 HydrophobicContact CB-CB 4.2Å; N272-L311 PolarHBondContact OD1-N 3.4Å; I284-L311 HydrophobicContact CG2-CD1 4.32Å; V291-L311 HydrophobicContact CG1-CD2 3.96Å; V291-L311 HydrophobicContact CG1-CG 4.37Å; V291-L311 HydrophobicContact CG2-CD2 4.06Å; A307-L311 PolarHBondContact O-N 2.86Å; G308-L311 PolarHBondContact O-N 3.37Å; G308-L311 VanDerWaalsContact O-N 3.17Å; L311-T313 VanDerWaalsContact C-N 3.3Å; L311-T313 PolarHBondContact O-N 3.43Å; L311-N314 PolarHBondContact O-N 2.98Å; L311-M315 HydrophobicContact CD1-CG 3.87Å; L311-M315 WeakPolarHBondContact O-CB 3.5Å; L311-M315 VanDerWaalsContact O-CG 3.3Å; L311-M315 WeakPolarHBondContact O-CG 3.44Å; L311-M315 PolarHBondContact O-N 3.48Å |
| 312 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.3 | -37.5 | 174.5 | -64.3 | 168.7 | 0 | 0 | 0 | 112 | V291 C292 T295 G308 R310 T316 L325 L350 | V291-L312 HydrophobicContact CB-CD2 4.48Å; V291-L312 HydrophobicContact CG1-CD2 4.11Å; V291-L312 HydrophobicContact CG1-CG 4.11Å; C292-L312 HydrophobicContact CB-CD1 4.36Å; C292-L312 HydrophobicContact CB-CD2 4.15Å; T295-L312 HydrophobicContact CG2-CD1 4.32Å; G308-L312 VanDerWaalsContact O-CG 3.29Å; G308-L312 WeakPolarHBondContact O-CG 3.38Å; G308-L312 PolarHBondContact O-N 3.37Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-L312 PolarHBondContact O-N 3.46Å; L312-T316 WeakPolarHBondContact O-CB 3.32Å; L312-T316 VanDerWaalsContact O-CG2 3.26Å; L312-T316 WeakPolarHBondContact O-CG2 3.34Å; L312-T316 PolarHBondContact O-N 3.07Å; L312-T316 PolarHBondContact O-OG1 3.16Å; L312-L325 HydrophobicContact CD2-CD1 3.96Å; L312-L325 HydrophobicContact CD2-CD2 3.81Å; L312-L350 HydrophobicContact CB-CD1 4.16Å; L312-L350 HydrophobicContact CB-CD2 4.04Å |
| 313 | T | 98.4 | Very high | 96.5 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 8% | 0.08 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.1 | -43.9 | 175.6 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | L309 R310 L311 T316 V317 Q346 K349 N353 | L309-T313 WeakPolarHBondContact O-CB 3.5Å; L309-T313 PolarHBondContact O-N 2.96Å; L309-T313 PolarHBondContact O-OG1 3.24Å; R310-T313 WeakPolarHBondContact O-CA 3.41Å; R310-T313 WeakPolarHBondContact O-CB 3.38Å; R310-T313 PolarHBondContact O-N 3.5Å; L311-T313 VanDerWaalsContact C-N 3.3Å; L311-T313 PolarHBondContact O-N 3.43Å; T313-T316 WeakPolarHBondContact CA-OG1 3.37Å; T313-T316 PolarHBondContact O-N 2.99Å; T313-T316 PolarHBondContact O-OG1 2.94Å; T313-V317 WeakPolarHBondContact O-CG2 3.17Å; T313-V317 PolarHBondContact O-N 3.34Å; T313-Q346 PolarHBondContact OG1-NE2 3.14Å; T313-K349 HydrophobicContact CG2-CB 4.09Å; T313-N353 PolarHBondContact O-ND2 3.14Å |
| 314 | N | 97.3 | Very high | 96.4 | Very high | 33 Ų | 33 | 32.7 Ų | 32.7 | 18% | 0.176 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.9 | -43.3 | 176.9 | -83.8 | 9.7 | 0 | 0 | 0 | 112.1 | N272 S275 Q281 R310 L311 T316 V317 | N272-N314 PolarHBondContact O-ND2 3.09Å; N272-N314 VanDerWaalsContact O-ND2 3.09Å; N272-N314 PolarHBondContact OD1-ND2 3.38Å; S275-N314 VanDerWaalsContact OG-CB 3.32Å; S275-N314 WeakPolarHBondContact OG-CB 3.2Å; Q281-N314 PolarHBondContact NE2-O 3.13Å; Q281-N314 VanDerWaalsContact NE2-O 3.14Å; R310-N314 PolarHBondContact O-N 2.94Å; L311-N314 PolarHBondContact O-N 2.98Å; N314-T316 PolarHBondContact O-N 2.97Å; N314-V317 PolarHBondContact O-N 3.34Å |
| 315 | M | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67 | -12.5 | 178.3 | -70.9 | -64.8 | -59.1 | 0 | 0 | 113.9 | Q281 I284 K285 I288 L311 Y321 | Q281-M315 HydrophobicContact CB-CE 3.78Å; Q281-M315 HydrophobicContact CB-SD 3.79Å; Q281-M315 HydrophobicContact CG-CE 4.32Å; Q281-M315 HydrophobicContact CG-SD 3.69Å; I284-M315 HydrophobicContact CB-CE 4.2Å; I284-M315 HydrophobicContact CB-SD 4.06Å; I284-M315 HydrophobicContact CG2-CE 4.04Å; I284-M315 HydrophobicContact CG2-CG 4.35Å; I284-M315 HydrophobicContact CG2-SD 3.68Å; K285-M315 HydrophobicContact CB-CE 4.3Å; I288-M315 HydrophobicContact CG2-CB 4.31Å; I288-M315 HydrophobicContact CG2-CE 3.77Å; I288-M315 HydrophobicContact CG2-CG 3.84Å; I288-M315 HydrophobicContact CG2-SD 4.4Å; L311-M315 HydrophobicContact CD1-CG 3.87Å; L311-M315 WeakPolarHBondContact O-CB 3.5Å; L311-M315 VanDerWaalsContact O-CG 3.3Å; L311-M315 WeakPolarHBondContact O-CG 3.44Å; L311-M315 PolarHBondContact O-N 3.48Å; M315-Y321 HydrophobicContact CE-CD2 3.75Å; M315-Y321 HydrophobicContact CE-CE2 4.18Å; M315-Y321 HydrophobicContact CE-CG 4.25Å |
| 316 | T | 96.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 1.2 | 179.5 | 50.8 | 0 | 0 | 0 | 0 | 114.2 | L312 T313 N314 T318 Q322 L325 L350 N353 F354 | L312-T316 WeakPolarHBondContact O-CB 3.32Å; L312-T316 VanDerWaalsContact O-CG2 3.26Å; L312-T316 WeakPolarHBondContact O-CG2 3.34Å; L312-T316 PolarHBondContact O-N 3.07Å; L312-T316 PolarHBondContact O-OG1 3.16Å; T313-T316 WeakPolarHBondContact CA-OG1 3.37Å; T313-T316 PolarHBondContact O-N 2.99Å; T313-T316 PolarHBondContact O-OG1 2.94Å; N314-T316 PolarHBondContact O-N 2.97Å; T316-T318 PolarHBondContact O-N 3.46Å; T316-T318 VanDerWaalsContact O-N 3.14Å; T316-Q322 HydrophobicContact CG2-CG 4.09Å; T316-Q322 PolarHBondContact O-NE2 3.14Å; T316-L325 HydrophobicContact CG2-CD1 3.54Å; T316-L350 HydrophobicContact CG2-CD1 3.95Å; T316-L350 WeakPolarHBondContact OG1-CD1 3.44Å; T316-N353 PolarHBondContact OG1-ND2 3.18Å; T316-F354 HydrophobicContact CG2-CD1 4.42Å; T316-F354 HydrophobicContact CG2-CE1 3.52Å; T316-F354 HydrophobicContact CG2-CZ 3.93Å |
| 317 | V | 93 | Very high | 96.2 | Very high | 55 Ų | 55 | 37.8 Ų | 37.8 | 33% | 0.333 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -60 | -21.4 | 173.4 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | Y22 T313 N314 | Y22-V317 HydrophobicContact CD1-CG1 4.03Å; Y22-V317 HydrophobicContact CE1-CG1 4.23Å; T313-V317 WeakPolarHBondContact O-CG2 3.17Å; T313-V317 PolarHBondContact O-N 3.34Å; N314-V317 PolarHBondContact O-N 3.34Å |
| 318 | T | 89.6 | Confident | 96.1 | Very high | 32 Ų | 32 | 37.8 Ų | 37.8 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -118.8 | 151.8 | 168.9 | 77.2 | 0 | 0 | 0 | 0 | 110.7 | T316 H320 | T316-T318 PolarHBondContact O-N 3.46Å; T316-T318 VanDerWaalsContact O-N 3.14Å; T318-H320 WeakPolarHBondContact CB-ND1 3.44Å; T318-H320 PolarHBondContact O-N 2.72Å; T318-H320 PolarHBondContact OG1-ND1 2.86Å |
| 319 | N | 93.1 | Very high | 96 | Very high | 75 Ų | 75 | 38 Ų | 38 | 40% | 0.401 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -66.8 | -22.6 | -172 | -63.3 | 8.6 | 0 | 0 | 0 | 113.4 | Y321 Q322 N357 | N319-Y321 PolarHBondContact O-N 3.17Å; N319-Q322 PolarHBondContact O-N 3.41Å; N319-N357 VanDerWaalsContact ND2-CG 3.31Å; N319-N357 PolarHBondContact ND2-OD1 3.33Å |
| 320 | H | 91.1 | Very high | 95.9 | Very high | 130 Ų | 130 | 40.8 Ų | 40.8 | 60% | 0.602 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -51.7 | -33.8 | -170.5 | -55.9 | 105.7 | 0 | 0 | 0 | 115.4 | T318 H323 | T318-H320 WeakPolarHBondContact CB-ND1 3.44Å; T318-H320 PolarHBondContact O-N 2.72Å; T318-H320 PolarHBondContact OG1-ND1 2.86Å; H320-H323 PolarHBondContact O-CE1 3.03Å; H320-H323 PolarHBondContact O-ND1 2.94Å |
| 321 | Y | 93.8 | Very high | 95.8 | Very high | 36 Ų | 36 | 38.9 Ų | 38.9 | 14% | 0.141 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -116.1 | 4.9 | -174 | -47.4 | -53.6 | 0 | 0 | 0 | 113.5 | Q281 K285 M315 N319 L324 | Q281-Y321 HydrophobicContact CB-CD2 4.27Å; Q281-Y321 HydrophobicContact CB-CE2 3.54Å; K285-Y321 HydrophobicContact CB-CD1 3.78Å; K285-Y321 HydrophobicContact CB-CE1 3.85Å; K285-Y321 HydrophobicContact CB-CG 4.31Å; K285-Y321 HydrophobicContact CD-CD1 4.08Å; K285-Y321 HydrophobicContact CD-CE1 3.51Å; K285-Y321 HydrophobicContact CG-CE1 4.29Å; M315-Y321 HydrophobicContact CE-CD2 3.75Å; M315-Y321 HydrophobicContact CE-CE2 4.18Å; M315-Y321 HydrophobicContact CE-CG 4.25Å; N319-Y321 PolarHBondContact O-N 3.17Å; Y321-L324 HydrophobicContact CD1-CD1 4.38Å; Y321-L324 WeakPolarHBondContact O-CB 3.32Å; Y321-L324 PolarHBondContact O-N 3.36Å |
| 322 | Q | 96.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -37.1 | -176.3 | -70.4 | -174.6 | -1.8 | 0 | 0 | 113.2 | T316 N319 L324 L325 N353 F354 N357 M360 | T316-Q322 HydrophobicContact CG2-CG 4.09Å; T316-Q322 PolarHBondContact O-NE2 3.14Å; N319-Q322 PolarHBondContact O-N 3.41Å; Q322-L324 PolarHBondContact O-N 3.41Å; Q322-L325 PolarHBondContact O-N 3.32Å; Q322-L325 VanDerWaalsContact O-N 3.13Å; Q322-N353 PolarHBondContact NE2-O 3.25Å; Q322-F354 HydrophobicContact CB-CD1 3.82Å; Q322-F354 HydrophobicContact CB-CE1 3.97Å; Q322-F354 HydrophobicContact CG-CD1 3.82Å; Q322-F354 HydrophobicContact CG-CE1 4.04Å; Q322-N357 PolarHBondContact OE1-ND2 3.27Å; Q322-M360 HydrophobicContact CB-CG 4.23Å; Q322-M360 HydrophobicContact CB-SD 4.05Å |
| 323 | H | 95.4 | Very high | 95.6 | Very high | 109 Ų | 109 | 38.9 Ų | 38.9 | 51% | 0.505 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -60.5 | -29.1 | 178.4 | 66.7 | -90.6 | 0 | 0 | 0 | 112.8 | H320 L325 S326 | H320-H323 PolarHBondContact O-CE1 3.03Å; H320-H323 PolarHBondContact O-ND1 2.94Å; H323-L325 PolarHBondContact O-N 3.4Å; H323-L325 VanDerWaalsContact O-N 3.1Å; H323-S326 PolarHBondContact O-N 3.22Å; H323-S326 PolarHBondContact O-OG 2.94Å |
| 324 | L | 96.6 | Very high | 95.4 | Very high | 53 Ų | 53 | 39.9 Ų | 39.9 | 28% | 0.277 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -71.4 | 0.5 | 178.5 | -59.1 | 174 | 0 | 0 | 0 | 114 | I288 Y321 Q322 Y327 | I288-L324 HydrophobicContact CD1-CB 3.54Å; I288-L324 HydrophobicContact CD1-CD1 4Å; I288-L324 HydrophobicContact CD1-CG 4.43Å; I288-L324 HydrophobicContact CG1-CD1 4.35Å; Y321-L324 HydrophobicContact CD1-CD1 4.38Å; Y321-L324 WeakPolarHBondContact O-CB 3.32Å; Y321-L324 PolarHBondContact O-N 3.36Å; Q322-L324 PolarHBondContact O-N 3.41Å; L324-Y327 WeakPolarHBondContact O-CE1 3.14Å |
| 325 | L | 97.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -128.2 | 3.3 | -177.5 | -61.2 | 176.4 | 0 | 0 | 0 | 113.3 | I288 C292 L312 T316 Q322 H323 Y327 S328 F332 F354 | I288-L325 HydrophobicContact CD1-CD1 4.42Å; I288-L325 HydrophobicContact CD1-CD2 3.63Å; I288-L325 HydrophobicContact CD1-CG 3.86Å; C292-L325 HydrophobicContact CB-CD2 3.61Å; L312-L325 HydrophobicContact CD2-CD1 3.96Å; L312-L325 HydrophobicContact CD2-CD2 3.81Å; T316-L325 HydrophobicContact CG2-CD1 3.54Å; Q322-L325 PolarHBondContact O-N 3.32Å; Q322-L325 VanDerWaalsContact O-N 3.13Å; H323-L325 PolarHBondContact O-N 3.4Å; H323-L325 VanDerWaalsContact O-N 3.1Å; L325-Y327 VanDerWaalsContact C-N 3.35Å; L325-Y327 PolarHBondContact O-N 2.73Å; L325-S328 PolarHBondContact O-N 3.08Å; L325-F332 HydrophobicContact CB-CE2 4.45Å; L325-F332 HydrophobicContact CB-CZ 4.45Å; L325-F354 HydrophobicContact CB-CE1 4.24Å; L325-F354 HydrophobicContact CB-CZ 3.92Å; L325-F354 HydrophobicContact CD1-CE1 4.36Å; L325-F354 HydrophobicContact CD1-CZ 4.06Å |
| 326 | S | 96 | Very high | 95.2 | Very high | 20 Ų | 20 | 38.9 Ų | 38.9 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -69.4 | -31.6 | -172.6 | 72.4 | 0 | 0 | 0 | 0 | 113.7 | H323 S328 F329 E363 | H323-S326 PolarHBondContact O-N 3.22Å; H323-S326 PolarHBondContact O-OG 2.94Å; S326-S328 PolarHBondContact O-N 3.08Å; S326-F329 WeakPolarHBondContact O-CB 3.47Å; S326-F329 WeakPolarHBondContact O-CD2 3.49Å; S326-F329 WeakPolarHBondContact O-CG 3.4Å; S326-F329 PolarHBondContact O-N 3.24Å; S326-F329 VanDerWaalsContact O-N 3.08Å; S326-E363 WeakPolarHBondContact CB-OE2 3.38Å; S326-E363 PolarHBondContact OG-OE2 2.84Å |
| 327 | Y | 96.5 | Very high | 94.9 | Very high | 116 Ų | 116 | 43.1 Ų | 43.1 | 46% | 0.455 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -57.1 | -31.1 | 175 | 71.2 | -88.4 | 0 | 0 | 0 | 112.7 | S289 D293 L324 L325 P330 | S289-Y327 PolarHBondContact O-OH 3.01Å; D293-Y327 WeakPolarHBondContact OD1-CE2 3.24Å; D293-Y327 PolarHBondContact OD1-OH 3.14Å; L324-Y327 WeakPolarHBondContact O-CE1 3.14Å; L325-Y327 VanDerWaalsContact C-N 3.35Å; L325-Y327 PolarHBondContact O-N 2.73Å; Y327-P330 WeakPolarHBondContact O-CD 3.42Å |
| 328 | S | 97.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -86.4 | 4.3 | -179.6 | -49.3 | 0 | 0 | 0 | 0 | 114.4 | C292 L325 S326 P330 D331 F332 | C292-S328 VanDerWaalsContact SG-CB 3.55Å; C292-S328 PolarHBondContact SG-OG 3.31Å; L325-S328 PolarHBondContact O-N 3.08Å; S326-S328 PolarHBondContact O-N 3.08Å; S328-P330 VanDerWaalsContact C-CD 3.41Å; S328-P330 VanDerWaalsContact C-N 3.35Å; S328-D331 PolarHBondContact O-N 2.86Å; S328-D331 VanDerWaalsContact O-N 3.11Å; S328-F332 WeakPolarHBondContact O-CD2 3.31Å; S328-F332 WeakPolarHBondContact O-CG 3.38Å; S328-F332 PolarHBondContact O-N 3.27Å |
| 329 | F | 96.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -52.5 | -43 | 176.6 | -70.9 | -9.9 | 0 | 0 | 0 | 113.7 | S326 D331 F332 F333 F354 M360 E363 L364 C367 | S326-F329 WeakPolarHBondContact O-CB 3.47Å; S326-F329 WeakPolarHBondContact O-CD2 3.49Å; S326-F329 WeakPolarHBondContact O-CG 3.4Å; S326-F329 PolarHBondContact O-N 3.24Å; S326-F329 VanDerWaalsContact O-N 3.08Å; F329-D331 VanDerWaalsContact C-N 3.31Å; F329-D331 PolarHBondContact O-N 3.39Å; F329-F332 AromaticContact CD1-CD2 3.93Å; F329-F332 HydrophobicContact CD1-CD2 3.93Å; F329-F332 HydrophobicContact CD1-CE2 4.07Å; F329-F332 PolarHBondContact O-N 2.96Å; F329-F333 WeakPolarHBondContact O-CD2 3.49Å; F329-F333 PolarHBondContact O-N 3.42Å; F329-F333 VanDerWaalsContact O-N 3.09Å; F329-F354 HydrophobicContact CD1-CD2 4.12Å; F329-F354 HydrophobicContact CD1-CE2 4.11Å; F329-F354 HydrophobicContact CE1-CB 4.32Å; F329-F354 HydrophobicContact CE1-CD1 4.08Å; F329-F354 AromaticContact CE1-CD2 3.41Å; F329-F354 HydrophobicContact CE1-CD2 3.41Å; F329-F354 VanDerWaalsContact CE1-CD2 3.41Å; F329-F354 HydrophobicContact CE1-CE1 4.19Å; F329-F354 AromaticContact CE1-CE2 3.59Å; F329-F354 HydrophobicContact CE1-CE2 3.59Å; F329-F354 AromaticContact CE1-CG 3.7Å; F329-F354 HydrophobicContact CE1-CG 3.7Å; F329-F354 AromaticContact CE1-CZ 3.98Å; F329-F354 HydrophobicContact CE1-CZ 3.98Å; F329-F354 HydrophobicContact CZ-CB 4.23Å; F329-F354 HydrophobicContact CZ-CD1 4.37Å; F329-F354 HydrophobicContact CZ-CD2 4.16Å; F329-F354 HydrophobicContact CZ-CG 4.03Å; F329-M360 HydrophobicContact CE2-CE 4.21Å; F329-M360 HydrophobicContact CZ-CB 4.28Å; F329-M360 HydrophobicContact CZ-CE 3.74Å; F329-E363 HydrophobicContact CD2-CB 4.15Å; F329-E363 HydrophobicContact CE2-CB 3.82Å; F329-L364 HydrophobicContact CD1-CD2 4.23Å; F329-L364 HydrophobicContact CD2-CD2 3.73Å; F329-L364 HydrophobicContact CD2-CG 4.04Å; F329-L364 HydrophobicContact CE1-CD2 4.07Å; F329-L364 HydrophobicContact CE2-CB 4.31Å; F329-L364 HydrophobicContact CE2-CD2 3.57Å; F329-L364 HydrophobicContact CE2-CG 3.52Å; F329-L364 HydrophobicContact CG-CD2 4.05Å; F329-L364 HydrophobicContact CZ-CD2 3.74Å; F329-L364 HydrophobicContact CZ-CG 3.89Å; F329-C367 VanDerWaalsContact C-SG 3.6Å; F329-C367 HydrophobicContact CB-CB 4.4Å |
| 330 | P | 95.4 | Very high | 95.4 | Very high | 59 Ų | 59 | 43.6 Ų | 43.6 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.6 | -40.7 | 176.5 | -22 | 34.1 | 0 | 0 | 0 | 112.6 | Y327 S328 F333 A334 C367 | Y327-P330 WeakPolarHBondContact O-CD 3.42Å; S328-P330 VanDerWaalsContact C-CD 3.41Å; S328-P330 VanDerWaalsContact C-N 3.35Å; P330-F333 PolarHBondContact O-N 3.33Å; P330-A334 PolarHBondContact O-N 2.81Å; P330-C367 VanDerWaalsContact N-SG 3.41Å |
| 331 | D | 96.4 | Very high | 95.6 | Very high | 75 Ų | 75 | 40.9 Ų | 40.9 | 40% | 0.401 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -72.2 | -35.6 | -178.5 | -55.6 | -76.3 | 0 | 0 | 0 | 112.1 | M296 S328 F329 A334 L335 | M296-D331 HydrophobicContact CB-CB 4.48Å; M296-D331 HydrophobicContact CG-CB 3.81Å; M296-D331 HydrophobicContact SD-CB 3.6Å; S328-D331 PolarHBondContact O-N 2.86Å; S328-D331 VanDerWaalsContact O-N 3.11Å; F329-D331 VanDerWaalsContact C-N 3.31Å; F329-D331 PolarHBondContact O-N 3.39Å; D331-A334 WeakPolarHBondContact O-CB 3.33Å; D331-A334 PolarHBondContact O-N 3.12Å; D331-L335 WeakPolarHBondContact O-CG 3.4Å; D331-L335 PolarHBondContact O-N 2.88Å |
| 332 | F | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 168.8 | -57.5 | -39.6 | 0 | 0 | 0 | 111.4 | M296 L325 S328 F329 A334 L335 L336 T347 L350 I351 F354 | M296-F332 HydrophobicContact CE-CD1 3.82Å; M296-F332 HydrophobicContact CE-CE1 3.52Å; M296-F332 HydrophobicContact SD-CD1 3.98Å; M296-F332 HydrophobicContact SD-CE1 4.1Å; L325-F332 HydrophobicContact CB-CE2 4.45Å; L325-F332 HydrophobicContact CB-CZ 4.45Å; S328-F332 WeakPolarHBondContact O-CD2 3.31Å; S328-F332 WeakPolarHBondContact O-CG 3.38Å; S328-F332 PolarHBondContact O-N 3.27Å; F329-F332 AromaticContact CD1-CD2 3.93Å; F329-F332 HydrophobicContact CD1-CD2 3.93Å; F329-F332 HydrophobicContact CD1-CE2 4.07Å; F329-F332 PolarHBondContact O-N 2.96Å; F332-A334 VanDerWaalsContact C-N 3.33Å; F332-A334 PolarHBondContact O-N 3.1Å; F332-L335 PolarHBondContact O-N 3.38Å; F332-L336 WeakPolarHBondContact O-CB 3.12Å; F332-L336 PolarHBondContact O-N 2.96Å; F332-T347 HydrophobicContact CB-CG2 4.05Å; F332-T347 WeakPolarHBondContact O-CG2 3.48Å; F332-L350 HydrophobicContact CD1-CD2 3.88Å; F332-L350 HydrophobicContact CE1-CD2 3.55Å; F332-L350 HydrophobicContact CE2-CD2 4.33Å; F332-L350 HydrophobicContact CG-CD2 4.39Å; F332-L350 HydrophobicContact CZ-CD2 3.82Å; F332-I351 HydrophobicContact CB-CD1 4.06Å; F332-I351 HydrophobicContact CB-CG1 4.1Å; F332-F354 AromaticContact CD2-CE2 3.82Å; F332-F354 HydrophobicContact CD2-CE2 3.82Å; F332-F354 AromaticContact CE2-CE2 3.56Å; F332-F354 HydrophobicContact CE2-CE2 3.56Å; F332-F354 AromaticContact CE2-CZ 3.87Å; F332-F354 HydrophobicContact CE2-CZ 3.87Å; F332-F354 HydrophobicContact CZ-CE2 4.45Å |
| 333 | F | 96 | Very high | 95.8 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.2 | -30.6 | 174.5 | -74.4 | -67.6 | 0 | 0 | 0 | 112.9 | F329 P330 L336 F337 I351 C367 V369 L373 L417 | F329-F333 WeakPolarHBondContact O-CD2 3.49Å; F329-F333 PolarHBondContact O-N 3.42Å; F329-F333 VanDerWaalsContact O-N 3.09Å; P330-F333 PolarHBondContact O-N 3.33Å; F333-L336 HydrophobicContact CD1-CD2 4.18Å; F333-L336 HydrophobicContact CE1-CD2 4.45Å; F333-L336 PolarHBondContact O-N 3.14Å; F333-F337 PolarHBondContact O-N 3.32Å; F333-F337 VanDerWaalsContact O-N 3.14Å; F333-I351 HydrophobicContact CD1-CD1 4.08Å; F333-I351 HydrophobicContact CE1-CD1 3.89Å; F333-I351 HydrophobicContact CE1-CG2 4.3Å; F333-I351 HydrophobicContact CZ-CD1 4.19Å; F333-I351 HydrophobicContact CZ-CG2 3.9Å; F333-C367 HydrophobicContact CE2-CB 4.47Å; F333-V369 HydrophobicContact CB-CG1 3.85Å; F333-V369 HydrophobicContact CD1-CG1 3.99Å; F333-V369 HydrophobicContact CD2-CG1 3.61Å; F333-V369 HydrophobicContact CE2-CG1 4.18Å; F333-V369 HydrophobicContact CG-CG1 3.53Å; F333-L373 HydrophobicContact CD1-CD1 4.37Å; F333-L373 HydrophobicContact CD1-CD2 4.04Å; F333-L373 HydrophobicContact CE1-CD2 4.21Å; F333-L417 HydrophobicContact CE1-CD2 4.05Å; F333-L417 HydrophobicContact CE2-CD2 3.87Å; F333-L417 HydrophobicContact CZ-CD2 3.38Å |
| 334 | A | 94.3 | Very high | 95.9 | Very high | 33 Ų | 33 | 41.2 Ų | 41.2 | 27% | 0.273 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.4 | -45 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P330 D331 F332 L336 F337 L338 | P330-A334 PolarHBondContact O-N 2.81Å; D331-A334 WeakPolarHBondContact O-CB 3.33Å; D331-A334 PolarHBondContact O-N 3.12Å; F332-A334 VanDerWaalsContact C-N 3.33Å; F332-A334 PolarHBondContact O-N 3.1Å; A334-L336 VanDerWaalsContact C-N 3.29Å; A334-L336 PolarHBondContact O-N 3.27Å; A334-F337 PolarHBondContact O-N 3.34Å; A334-F337 VanDerWaalsContact O-N 3.1Å; A334-L338 WeakPolarHBondContact O-CB 3.45Å; A334-L338 WeakPolarHBondContact O-CG 3.33Å; A334-L338 PolarHBondContact O-N 3Å |
| 335 | L | 95.4 | Very high | 95.9 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.5 | -37.6 | 173.3 | -72.4 | 179.9 | 0 | 0 | 0 | 112 | M296 L300 L309 D331 F332 F337 L338 G339 T347 | M296-L335 HydrophobicContact CE-CD1 3.79Å; M296-L335 HydrophobicContact SD-CD1 3.59Å; M296-L335 VanDerWaalsContact SD-CD1 3.59Å; M296-L335 HydrophobicContact SD-CG 4.34Å; L300-L335 HydrophobicContact CD1-CD2 3.64Å; L309-L335 HydrophobicContact CD2-CD1 4.16Å; D331-L335 WeakPolarHBondContact O-CG 3.4Å; D331-L335 PolarHBondContact O-N 2.88Å; F332-L335 PolarHBondContact O-N 3.38Å; L335-F337 VanDerWaalsContact C-N 3.26Å; L335-F337 PolarHBondContact O-N 3.22Å; L335-L338 PolarHBondContact O-N 3.36Å; L335-G339 PolarHBondContact O-N 3.44Å; L335-T347 HydrophobicContact CB-CG2 4.3Å |
| 336 | L | 94.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.5 | -31 | 174.6 | -177.1 | 53.8 | 0 | 0 | 0 | 112.3 | F332 F333 A334 K344 T347 M348 I351 L373 L376 L392 | F332-L336 WeakPolarHBondContact O-CB 3.12Å; F332-L336 PolarHBondContact O-N 2.96Å; F333-L336 HydrophobicContact CD1-CD2 4.18Å; F333-L336 HydrophobicContact CE1-CD2 4.45Å; F333-L336 PolarHBondContact O-N 3.14Å; A334-L336 VanDerWaalsContact C-N 3.29Å; A334-L336 PolarHBondContact O-N 3.27Å; L336-K344 HydrophobicContact CD1-CB 4.21Å; L336-K344 HydrophobicContact CD1-CG 4.23Å; L336-K344 WeakPolarHBondContact O-CE 3.4Å; L336-K344 WeakPolarHBondContact O-CG 3.43Å; L336-K344 PolarHBondContact O-NZ 3.15Å; L336-T347 HydrophobicContact CB-CG2 4.2Å; L336-M348 HydrophobicContact CD1-CE 3.76Å; L336-M348 HydrophobicContact CD1-CG 3.57Å; L336-M348 HydrophobicContact CD1-SD 4.38Å; L336-M348 HydrophobicContact CD2-CG 4.36Å; L336-I351 HydrophobicContact CD2-CD1 4Å; L336-L373 HydrophobicContact CD2-CD1 3.7Å; L336-L373 HydrophobicContact CG-CD1 4Å; L336-L376 HydrophobicContact CD1-CD1 4.07Å; L336-L376 HydrophobicContact CD2-CD1 4.23Å; L336-L376 HydrophobicContact CG-CD1 3.96Å; L336-L392 HydrophobicContact CD2-CD1 4.49Å |
| 337 | F | 90.9 | Very high | 96.1 | Very high | 89 Ų | 89 | 39.4 Ų | 39.4 | 39% | 0.39 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -79 | -47.9 | 171 | -179.8 | -120.2 | 0 | 0 | 0 | 113 | F333 A334 L335 K344 P370 E372 | F333-F337 PolarHBondContact O-N 3.32Å; F333-F337 VanDerWaalsContact O-N 3.14Å; A334-F337 PolarHBondContact O-N 3.34Å; A334-F337 VanDerWaalsContact O-N 3.1Å; L335-F337 VanDerWaalsContact C-N 3.26Å; L335-F337 PolarHBondContact O-N 3.22Å; F337-K344 VanDerWaalsContact C-NZ 3.34Å; F337-K344 PolarHBondContact O-NZ 3.24Å; F337-P370 HydrophobicContact CB-CG 4.45Å; F337-E372 HydrophobicContact CD2-CB 3.88Å; F337-E372 HydrophobicContact CE2-CB 3.44Å; F337-E372 VanDerWaalsContact CE2-CB 3.44Å; F337-E372 HydrophobicContact CE2-CG 4Å; F337-E372 HydrophobicContact CZ-CB 4Å; F337-E372 HydrophobicContact CZ-CG 4.09Å |
| 338 | L | 93.6 | Very high | 96.1 | Very high | 107 Ų | 107 | 33.9 Ų | 33.9 | 56% | 0.56 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -85.9 | -38.4 | -167.3 | -64.4 | 173.9 | 0 | 0 | 0 | 115.2 | L300 A334 L335 | L300-L338 HydrophobicContact CD1-CB 4.43Å; L300-L338 HydrophobicContact CD2-CB 4.06Å; A334-L338 WeakPolarHBondContact O-CB 3.45Å; A334-L338 WeakPolarHBondContact O-CG 3.33Å; A334-L338 PolarHBondContact O-N 3Å; L335-L338 PolarHBondContact O-N 3.36Å |
| 339 | G | 95.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 37 Ų | 37 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -71.4 | 164.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D301 L335 K344 | D301-G339 VanDerWaalsContact OD1-CA 3.27Å; D301-G339 WeakPolarHBondContact OD1-CA 3.2Å; L335-G339 PolarHBondContact O-N 3.44Å; G339-K344 PolarHBondContact O-NZ 3.26Å |
| 340 | N | 95.8 | Very high | 96.2 | Very high | 61 Ų | 61 | 36.8 Ų | 36.8 | 33% | 0.326 | 19% | 0.187 | S | C | . | . | trans | -68.5 | 177.8 | 174.7 | 74 | 55.3 | 0 | 0 | 0 | 113.2 | D301 F342 T343 K344 | D301-N340 VanDerWaalsContact CB-ND2 3.29Å; D301-N340 WeakPolarHBondContact CB-ND2 3.46Å; D301-N340 PolarHBondContact OD1-N 2.7Å; D301-N340 PolarHBondContact OD1-ND2 3.26Å; D301-N340 WeakPolarHBondContact OD2-CB 3.33Å; D301-N340 PolarHBondContact OD2-N 3.47Å; D301-N340 VanDerWaalsContact OD2-N 3.12Å; D301-N340 PolarHBondContact OD2-ND2 2.83Å; N340-F342 VanDerWaalsContact C-N 3.31Å; N340-F342 PolarHBondContact O-N 3.22Å; N340-F342 WeakPolarHBondContact OD1-CB 3.47Å; N340-F342 WeakPolarHBondContact OD1-CD2 3.21Å; N340-F342 PolarHBondContact OD1-N 3.05Å; N340-T343 PolarHBondContact O-N 2.85Å; N340-T343 VanDerWaalsContact O-N 3.16Å; N340-T343 PolarHBondContact OD1-N 3.45Å; N340-K344 WeakPolarHBondContact O-CB 3.17Å; N340-K344 WeakPolarHBondContact O-CG 3.29Å; N340-K344 PolarHBondContact O-N 2.97Å | ||
| 341 | H | 95.7 | Very high | 96.4 | Very high | 73 Ų | 73 | 34 Ų | 34 | 34% | 0.338 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -44 | -46.9 | 176.6 | 168.6 | -89.6 | 0 | 0 | 0 | 114.6 | I345 D382 | H341-I345 VanDerWaalsContact CE1-CD1 3.46Å; H341-I345 WeakPolarHBondContact CE1-CD1 3.49Å; H341-I345 WeakPolarHBondContact O-CB 3.43Å; H341-I345 VanDerWaalsContact O-CG1 3.29Å; H341-I345 WeakPolarHBondContact O-CG1 3.43Å; H341-I345 PolarHBondContact O-N 3.33Å; H341-D382 IonicContact CD2-OD2 3.79Å; H341-D382 PolarHBondContact CD2-OD2 2.91Å; H341-D382 VanDerWaalsContact CD2-OD2 3.29Å; H341-D382 IonicContact NE2-OD1 3.53Å; H341-D382 IonicContact NE2-OD2 3.87Å |
| 342 | F | 96.8 | Very high | 96.5 | Very high | 138 Ų | 138 | 31.2 Ų | 31.2 | 61% | 0.605 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -71.7 | -42.3 | -178.6 | -58 | -71.8 | 0 | 0 | 0 | 112.1 | M306 N340 I345 Q346 | M306-F342 HydrophobicContact CE-CB 4.01Å; N340-F342 VanDerWaalsContact C-N 3.31Å; N340-F342 PolarHBondContact O-N 3.22Å; N340-F342 WeakPolarHBondContact OD1-CB 3.47Å; N340-F342 WeakPolarHBondContact OD1-CD2 3.21Å; N340-F342 PolarHBondContact OD1-N 3.05Å; F342-I345 PolarHBondContact O-N 3.3Å; F342-Q346 PolarHBondContact O-N 2.95Å |
| 343 | T | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.2 | -49.8 | 174.9 | -47.5 | 0 | 0 | 0 | 0 | 110.5 | D301 L309 N340 I345 Q346 T347 | D301-T343 WeakPolarHBondContact OD1-CB 3.44Å; D301-T343 PolarHBondContact OD1-OG1 3.46Å; L309-T343 HydrophobicContact CD1-CG2 4.01Å; N340-T343 PolarHBondContact O-N 2.85Å; N340-T343 VanDerWaalsContact O-N 3.16Å; N340-T343 PolarHBondContact OD1-N 3.45Å; T343-I345 PolarHBondContact O-N 2.91Å; T343-Q346 PolarHBondContact O-N 3.13Å; T343-T347 WeakPolarHBondContact O-CB 3.26Å; T343-T347 PolarHBondContact O-N 3.09Å; T343-T347 PolarHBondContact O-OG1 3.15Å; T343-T347 VanDerWaalsContact O-OG1 3.07Å |
| 344 | K | 97.2 | Very high | 96.6 | Very high | 16 Ų | 16 | 32.5 Ų | 32.5 | 7% | 0.07 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -51.7 | -51.6 | 173.8 | -79.1 | 177.9 | 160.7 | 47 | 0 | 111.8 | L336 F337 G339 N340 Q346 T347 M348 W381 I385 | L336-K344 HydrophobicContact CD1-CB 4.21Å; L336-K344 HydrophobicContact CD1-CG 4.23Å; L336-K344 WeakPolarHBondContact O-CE 3.4Å; L336-K344 WeakPolarHBondContact O-CG 3.43Å; L336-K344 PolarHBondContact O-NZ 3.15Å; F337-K344 VanDerWaalsContact C-NZ 3.34Å; F337-K344 PolarHBondContact O-NZ 3.24Å; G339-K344 PolarHBondContact O-NZ 3.26Å; N340-K344 WeakPolarHBondContact O-CB 3.17Å; N340-K344 WeakPolarHBondContact O-CG 3.29Å; N340-K344 PolarHBondContact O-N 2.97Å; K344-Q346 PolarHBondContact O-N 3.04Å; K344-T347 PolarHBondContact O-N 3.3Å; K344-M348 WeakPolarHBondContact O-CB 3.45Å; K344-M348 VanDerWaalsContact O-CG 3.23Å; K344-M348 WeakPolarHBondContact O-CG 3.3Å; K344-M348 PolarHBondContact O-N 3.39Å; K344-W381 HydrophobicContact CD-CH2 4.49Å; K344-I385 HydrophobicContact CB-CD1 4.26Å; K344-I385 HydrophobicContact CD-CD1 4.22Å |
| 345 | I | 97.5 | Very high | 96.7 | Very high | 10 Ų | 10 | 31 Ų | 31 | 5% | 0.051 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | -179.4 | -74.6 | 169.4 | 0 | 0 | 0 | 112 | H341 F342 T343 K349 E384 I385 | H341-I345 VanDerWaalsContact CE1-CD1 3.46Å; H341-I345 WeakPolarHBondContact CE1-CD1 3.49Å; H341-I345 WeakPolarHBondContact O-CB 3.43Å; H341-I345 VanDerWaalsContact O-CG1 3.29Å; H341-I345 WeakPolarHBondContact O-CG1 3.43Å; H341-I345 PolarHBondContact O-N 3.33Å; F342-I345 PolarHBondContact O-N 3.3Å; T343-I345 PolarHBondContact O-N 2.91Å; I345-K349 HydrophobicContact CG2-CD 4.29Å; I345-K349 VanDerWaalsContact CG2-NZ 3.29Å; I345-K349 WeakPolarHBondContact O-CD 3.46Å; I345-K349 WeakPolarHBondContact O-CG 3.21Å; I345-K349 PolarHBondContact O-N 3.46Å; I345-E384 HydrophobicContact CD1-CB 4.09Å; I345-E384 HydrophobicContact CD1-CG 3.98Å; I345-E384 HydrophobicContact CG1-CG 4.2Å; I345-E384 HydrophobicContact CG2-CG 4.21Å; I345-E384 VanDerWaalsContact CG2-OE1 3.26Å; I345-E384 WeakPolarHBondContact CG2-OE1 3.44Å; I345-I385 HydrophobicContact CD1-CG1 4.08Å; I345-I385 HydrophobicContact CG1-CD1 4.45Å; I345-I385 HydrophobicContact CG1-CG1 3.69Å |
| 346 | Q | 98.3 | Very high | 96.6 | Very high | 26 Ų | 26 | 36.1 Ų | 36.1 | 12% | 0.121 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.6 | -43.3 | 179.2 | -167.5 | 65.9 | 54.3 | 0 | 0 | 111.6 | M306 L309 R310 T313 F342 T343 K344 M348 K349 L350 | M306-Q346 HydrophobicContact CE-CB 3.94Å; M306-Q346 HydrophobicContact CE-CG 4.42Å; L309-Q346 HydrophobicContact CB-CB 4.46Å; L309-Q346 HydrophobicContact CB-CG 3.68Å; R310-Q346 HydrophobicContact CG-CG 4.22Å; T313-Q346 PolarHBondContact OG1-NE2 3.14Å; F342-Q346 PolarHBondContact O-N 2.95Å; T343-Q346 PolarHBondContact O-N 3.13Å; K344-Q346 PolarHBondContact O-N 3.04Å; Q346-M348 PolarHBondContact O-N 3.13Å; Q346-K349 WeakPolarHBondContact O-CB 3.43Å; Q346-K349 PolarHBondContact O-N 2.94Å; Q346-K349 VanDerWaalsContact O-N 3.16Å; Q346-L350 PolarHBondContact O-N 2.91Å |
| 347 | T | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.1 | -35.8 | 176.8 | -59 | 0 | 0 | 0 | 0 | 112 | F332 L335 L336 T343 K344 K349 L350 I351 | F332-T347 HydrophobicContact CB-CG2 4.05Å; F332-T347 WeakPolarHBondContact O-CG2 3.48Å; L335-T347 HydrophobicContact CB-CG2 4.3Å; L336-T347 HydrophobicContact CB-CG2 4.2Å; T343-T347 WeakPolarHBondContact O-CB 3.26Å; T343-T347 PolarHBondContact O-N 3.09Å; T343-T347 PolarHBondContact O-OG1 3.15Å; T343-T347 VanDerWaalsContact O-OG1 3.07Å; K344-T347 PolarHBondContact O-N 3.3Å; T347-K349 VanDerWaalsContact C-N 3.33Å; T347-K349 PolarHBondContact O-N 2.94Å; T347-L350 PolarHBondContact O-N 3.16Å; T347-I351 HydrophobicContact CG2-CD1 3.91Å; T347-I351 HydrophobicContact CG2-CG1 4.5Å; T347-I351 VanDerWaalsContact O-CG1 3.31Å; T347-I351 WeakPolarHBondContact O-CG1 3.27Å; T347-I351 PolarHBondContact O-N 3.11Å |
| 348 | M | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59 | -42.7 | 169.9 | -77.6 | 176.5 | 172.5 | 0 | 0 | 112.2 | L336 K344 Q346 I351 I352 L376 I385 N388 I389 | L336-M348 HydrophobicContact CD1-CE 3.76Å; L336-M348 HydrophobicContact CD1-CG 3.57Å; L336-M348 HydrophobicContact CD1-SD 4.38Å; L336-M348 HydrophobicContact CD2-CG 4.36Å; K344-M348 WeakPolarHBondContact O-CB 3.45Å; K344-M348 VanDerWaalsContact O-CG 3.23Å; K344-M348 WeakPolarHBondContact O-CG 3.3Å; K344-M348 PolarHBondContact O-N 3.39Å; Q346-M348 PolarHBondContact O-N 3.13Å; M348-I351 PolarHBondContact O-N 2.64Å; M348-I352 WeakPolarHBondContact O-CB 3.35Å; M348-I352 WeakPolarHBondContact O-CD1 3.38Å; M348-I352 WeakPolarHBondContact O-CG1 3.35Å; M348-I352 PolarHBondContact O-N 3.22Å; M348-L376 HydrophobicContact CE-CD1 3.86Å; M348-L376 HydrophobicContact CE-CD2 4.41Å; M348-I385 HydrophobicContact CE-CG2 3.86Å; M348-N388 HydrophobicContact CB-CB 4.01Å; M348-N388 HydrophobicContact CG-CB 4.26Å; M348-N388 HydrophobicContact SD-CB 3.38Å; M348-N388 WeakPolarHBondContact SD-CB 3.38Å; M348-I389 HydrophobicContact CE-CB 3.84Å; M348-I389 HydrophobicContact CE-CD1 4.35Å |
| 349 | K | 98.2 | Very high | 96.6 | Very high | 68 Ų | 68 | 34.2 Ų | 34.2 | 30% | 0.296 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 179.3 | -71.4 | 164.2 | -176 | 171.9 | 0 | 111.6 | T313 I345 Q346 T347 I352 N353 E384 | T313-K349 HydrophobicContact CG2-CB 4.09Å; I345-K349 HydrophobicContact CG2-CD 4.29Å; I345-K349 VanDerWaalsContact CG2-NZ 3.29Å; I345-K349 WeakPolarHBondContact O-CD 3.46Å; I345-K349 WeakPolarHBondContact O-CG 3.21Å; I345-K349 PolarHBondContact O-N 3.46Å; Q346-K349 WeakPolarHBondContact O-CB 3.43Å; Q346-K349 PolarHBondContact O-N 2.94Å; Q346-K349 VanDerWaalsContact O-N 3.16Å; T347-K349 VanDerWaalsContact C-N 3.33Å; T347-K349 PolarHBondContact O-N 2.94Å; K349-I352 PolarHBondContact O-N 3.38Å; K349-N353 PolarHBondContact O-N 3.11Å; K349-N353 PolarHBondContact O-OD1 3.26Å; K349-E384 VanDerWaalsContact CE-OE1 3.25Å; K349-E384 WeakPolarHBondContact CE-OE1 3.47Å; K349-E384 IonicContact NZ-OE1 3.2Å; K349-E384 PolarHBondContact NZ-OE1 2.91Å |
| 350 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59 | -46.3 | 172.1 | 178.3 | 55.9 | 0 | 0 | 0 | 112 | L309 L312 T316 F332 Q346 T347 N353 F354 | L309-L350 HydrophobicContact CD2-CD2 4.12Å; L312-L350 HydrophobicContact CB-CD1 4.16Å; L312-L350 HydrophobicContact CB-CD2 4.04Å; T316-L350 HydrophobicContact CG2-CD1 3.95Å; T316-L350 WeakPolarHBondContact OG1-CD1 3.44Å; F332-L350 HydrophobicContact CD1-CD2 3.88Å; F332-L350 HydrophobicContact CE1-CD2 3.55Å; F332-L350 HydrophobicContact CE2-CD2 4.33Å; F332-L350 HydrophobicContact CG-CD2 4.39Å; F332-L350 HydrophobicContact CZ-CD2 3.82Å; Q346-L350 PolarHBondContact O-N 2.91Å; T347-L350 PolarHBondContact O-N 3.16Å; L350-N353 WeakPolarHBondContact O-CB 3.47Å; L350-N353 PolarHBondContact O-N 3.08Å; L350-F354 HydrophobicContact CD1-CE2 3.85Å; L350-F354 HydrophobicContact CD1-CZ 3.67Å; L350-F354 HydrophobicContact CG-CE2 3.83Å; L350-F354 HydrophobicContact CG-CZ 4.15Å; L350-F354 WeakPolarHBondContact O-CD2 3.48Å |
| 351 | I | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.3 | -38.7 | 178.6 | -63.1 | 162.4 | 0 | 0 | 0 | 111.6 | F332 F333 L336 T347 M348 N353 F354 T355 L392 | F332-I351 HydrophobicContact CB-CD1 4.06Å; F332-I351 HydrophobicContact CB-CG1 4.1Å; F333-I351 HydrophobicContact CD1-CD1 4.08Å; F333-I351 HydrophobicContact CE1-CD1 3.89Å; F333-I351 HydrophobicContact CE1-CG2 4.3Å; F333-I351 HydrophobicContact CZ-CD1 4.19Å; F333-I351 HydrophobicContact CZ-CG2 3.9Å; L336-I351 HydrophobicContact CD2-CD1 4Å; T347-I351 HydrophobicContact CG2-CD1 3.91Å; T347-I351 HydrophobicContact CG2-CG1 4.5Å; T347-I351 VanDerWaalsContact O-CG1 3.31Å; T347-I351 WeakPolarHBondContact O-CG1 3.27Å; T347-I351 PolarHBondContact O-N 3.11Å; M348-I351 PolarHBondContact O-N 2.64Å; I351-N353 VanDerWaalsContact C-N 3.31Å; I351-N353 PolarHBondContact O-N 3.18Å; I351-F354 WeakPolarHBondContact O-CB 3.5Å; I351-F354 PolarHBondContact O-N 3.44Å; I351-F354 VanDerWaalsContact O-N 3.12Å; I351-T355 HydrophobicContact CG2-CG2 4.42Å; I351-T355 WeakPolarHBondContact O-CG2 3.42Å; I351-T355 PolarHBondContact O-N 3.15Å; I351-T355 VanDerWaalsContact O-N 3.08Å; I351-L392 HydrophobicContact CB-CD1 4.03Å; I351-L392 HydrophobicContact CG2-CD1 3.63Å; I351-L392 HydrophobicContact CG2-CG 4Å |
| 352 | I | 98.3 | Very high | 96.4 | Very high | 16 Ų | 16 | 35 Ų | 35 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 177.7 | -73.6 | 163.7 | 0 | 0 | 0 | 110.9 | M348 K349 F354 T355 E356 N388 T391 L392 | M348-I352 WeakPolarHBondContact O-CB 3.35Å; M348-I352 WeakPolarHBondContact O-CD1 3.38Å; M348-I352 WeakPolarHBondContact O-CG1 3.35Å; M348-I352 PolarHBondContact O-N 3.22Å; K349-I352 PolarHBondContact O-N 3.38Å; I352-F354 VanDerWaalsContact C-N 3.29Å; I352-F354 PolarHBondContact O-N 3.2Å; I352-T355 WeakPolarHBondContact CA-OG1 3.25Å; I352-T355 WeakPolarHBondContact O-CA 3.46Å; I352-T355 PolarHBondContact O-N 3.09Å; I352-T355 PolarHBondContact O-OG1 3.36Å; I352-E356 PolarHBondContact O-N 2.98Å; I352-E356 VanDerWaalsContact O-N 3.17Å; I352-N388 HydrophobicContact CD1-CB 4.19Å; I352-T391 HydrophobicContact CD1-CG2 4.4Å; I352-T391 HydrophobicContact CG2-CG2 4.45Å; I352-L392 HydrophobicContact CG1-CB 4.13Å |
| 353 | N | 97.8 | Very high | 96.4 | Very high | 28 Ų | 28 | 32.8 Ų | 32.8 | 15% | 0.15 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.7 | -44.5 | 174.4 | -70.2 | -4.8 | 0 | 0 | 0 | 112.3 | T313 T316 Q322 K349 L350 I351 T355 E356 | T313-N353 PolarHBondContact O-ND2 3.14Å; T316-N353 PolarHBondContact OG1-ND2 3.18Å; Q322-N353 PolarHBondContact NE2-O 3.25Å; K349-N353 PolarHBondContact O-N 3.11Å; K349-N353 PolarHBondContact O-OD1 3.26Å; L350-N353 WeakPolarHBondContact O-CB 3.47Å; L350-N353 PolarHBondContact O-N 3.08Å; I351-N353 VanDerWaalsContact C-N 3.31Å; I351-N353 PolarHBondContact O-N 3.18Å; N353-T355 VanDerWaalsContact C-N 3.34Å; N353-T355 PolarHBondContact O-N 3.08Å; N353-E356 PolarHBondContact O-N 2.83Å |
| 354 | F | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.3 | -35.4 | 175.9 | -55.4 | -51.2 | 0 | 0 | 0 | 112.3 | T316 Q322 L325 F329 F332 L350 I351 I352 E356 N357 M360 L364 | T316-F354 HydrophobicContact CG2-CD1 4.42Å; T316-F354 HydrophobicContact CG2-CE1 3.52Å; T316-F354 HydrophobicContact CG2-CZ 3.93Å; Q322-F354 HydrophobicContact CB-CD1 3.82Å; Q322-F354 HydrophobicContact CB-CE1 3.97Å; Q322-F354 HydrophobicContact CG-CD1 3.82Å; Q322-F354 HydrophobicContact CG-CE1 4.04Å; L325-F354 HydrophobicContact CB-CE1 4.24Å; L325-F354 HydrophobicContact CB-CZ 3.92Å; L325-F354 HydrophobicContact CD1-CE1 4.36Å; L325-F354 HydrophobicContact CD1-CZ 4.06Å; F329-F354 HydrophobicContact CD1-CD2 4.12Å; F329-F354 HydrophobicContact CD1-CE2 4.11Å; F329-F354 HydrophobicContact CE1-CB 4.32Å; F329-F354 HydrophobicContact CE1-CD1 4.08Å; F329-F354 AromaticContact CE1-CD2 3.41Å; F329-F354 HydrophobicContact CE1-CD2 3.41Å; F329-F354 VanDerWaalsContact CE1-CD2 3.41Å; F329-F354 HydrophobicContact CE1-CE1 4.19Å; F329-F354 AromaticContact CE1-CE2 3.59Å; F329-F354 HydrophobicContact CE1-CE2 3.59Å; F329-F354 AromaticContact CE1-CG 3.7Å; F329-F354 HydrophobicContact CE1-CG 3.7Å; F329-F354 AromaticContact CE1-CZ 3.98Å; F329-F354 HydrophobicContact CE1-CZ 3.98Å; F329-F354 HydrophobicContact CZ-CB 4.23Å; F329-F354 HydrophobicContact CZ-CD1 4.37Å; F329-F354 HydrophobicContact CZ-CD2 4.16Å; F329-F354 HydrophobicContact CZ-CG 4.03Å; F332-F354 AromaticContact CD2-CE2 3.82Å; F332-F354 HydrophobicContact CD2-CE2 3.82Å; F332-F354 AromaticContact CE2-CE2 3.56Å; F332-F354 HydrophobicContact CE2-CE2 3.56Å; F332-F354 AromaticContact CE2-CZ 3.87Å; F332-F354 HydrophobicContact CE2-CZ 3.87Å; F332-F354 HydrophobicContact CZ-CE2 4.45Å; L350-F354 HydrophobicContact CD1-CE2 3.85Å; L350-F354 HydrophobicContact CD1-CZ 3.67Å; L350-F354 HydrophobicContact CG-CE2 3.83Å; L350-F354 HydrophobicContact CG-CZ 4.15Å; L350-F354 WeakPolarHBondContact O-CD2 3.48Å; I351-F354 WeakPolarHBondContact O-CB 3.5Å; I351-F354 PolarHBondContact O-N 3.44Å; I351-F354 VanDerWaalsContact O-N 3.12Å; I352-F354 VanDerWaalsContact C-N 3.29Å; I352-F354 PolarHBondContact O-N 3.2Å; F354-E356 VanDerWaalsContact C-N 3.26Å; F354-E356 PolarHBondContact O-N 3.42Å; F354-N357 PolarHBondContact O-N 3.38Å; F354-M360 HydrophobicContact CB-CB 4.4Å; F354-M360 HydrophobicContact CB-CG 4.46Å; F354-L364 HydrophobicContact CB-CD1 3.89Å; F354-L364 HydrophobicContact CB-CD2 4.17Å; F354-L364 HydrophobicContact CB-CG 4.41Å |
| 355 | T | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70 | -18.7 | 177.8 | 66.7 | 0 | 0 | 0 | 0 | 114 | I351 I352 N353 L364 N395 I396 N399 | I351-T355 HydrophobicContact CG2-CG2 4.42Å; I351-T355 WeakPolarHBondContact O-CG2 3.42Å; I351-T355 PolarHBondContact O-N 3.15Å; I351-T355 VanDerWaalsContact O-N 3.08Å; I352-T355 WeakPolarHBondContact CA-OG1 3.25Å; I352-T355 WeakPolarHBondContact O-CA 3.46Å; I352-T355 PolarHBondContact O-N 3.09Å; I352-T355 PolarHBondContact O-OG1 3.36Å; N353-T355 VanDerWaalsContact C-N 3.34Å; N353-T355 PolarHBondContact O-N 3.08Å; T355-L364 HydrophobicContact CG2-CD1 4.02Å; T355-N395 WeakPolarHBondContact OG1-CB 3.3Å; T355-N395 PolarHBondContact OG1-ND2 3.49Å; T355-I396 HydrophobicContact CG2-CD1 3.93Å; T355-I396 HydrophobicContact CG2-CG1 3.58Å; T355-N399 PolarHBondContact O-ND2 3.47Å |
| 356 | E | 94.3 | Very high | 96.1 | Very high | 121 Ų | 121 | 34.1 Ų | 34.1 | 57% | 0.565 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -4.9 | 174.4 | -66 | -169.2 | -175.3 | 0 | 0 | 112.9 | I352 N353 F354 | I352-E356 PolarHBondContact O-N 2.98Å; I352-E356 VanDerWaalsContact O-N 3.17Å; N353-E356 PolarHBondContact O-N 2.83Å; F354-E356 VanDerWaalsContact C-N 3.26Å; F354-E356 PolarHBondContact O-N 3.42Å |
| 357 | N | 93.6 | Very high | 96 | Very high | 16 Ų | 16 | 33.4 Ų | 33.4 | 9% | 0.086 | 18% | 0.176 | C | C | . | . | trans | -110.8 | 110.9 | 177.4 | 179.8 | 4.4 | 0 | 0 | 0 | 111.2 | N319 Q322 F354 A359 M360 | N319-N357 VanDerWaalsContact ND2-CG 3.31Å; N319-N357 PolarHBondContact ND2-OD1 3.33Å; Q322-N357 PolarHBondContact OE1-ND2 3.27Å; F354-N357 PolarHBondContact O-N 3.38Å; N357-A359 PolarHBondContact O-N 3.18Å; N357-A359 PolarHBondContact OD1-N 3.27Å; N357-M360 HydrophobicContact CB-CG 4.02Å; N357-M360 WeakPolarHBondContact ND2-CG 3.38Å; N357-M360 PolarHBondContact O-N 3.17Å; N357-M360 VanDerWaalsContact O-N 3.1Å | ||
| 358 | P | 90.9 | Very high | 95.8 | Very high | 67 Ų | 67 | 40.4 Ų | 40.4 | 44% | 0.435 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -52.7 | -39 | -179.4 | -29.2 | 36.3 | 0 | 0 | 0 | 113.9 | M360 T361 | P358-M360 VanDerWaalsContact C-N 3.25Å; P358-M360 PolarHBondContact O-N 3.41Å; P358-T361 WeakPolarHBondContact O-CB 3.49Å; P358-T361 PolarHBondContact O-N 3.43Å; P358-T361 PolarHBondContact O-OG1 2.9Å |
| 359 | A | 92.6 | Very high | 95.6 | Very high | 73 Ų | 73 | 41 Ų | 41 | 60% | 0.603 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -59.2 | -32.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N357 T361 | N357-A359 PolarHBondContact O-N 3.18Å; N357-A359 PolarHBondContact OD1-N 3.27Å; A359-T361 VanDerWaalsContact C-N 3.26Å; A359-T361 PolarHBondContact O-N 3.1Å |
| 360 | M | 95.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -76.8 | -12.4 | 178.1 | -52.4 | -42.9 | -53.7 | 0 | 0 | 113.1 | Q322 F329 F354 N357 P358 R362 E363 L364 | Q322-M360 HydrophobicContact CB-CG 4.23Å; Q322-M360 HydrophobicContact CB-SD 4.05Å; F329-M360 HydrophobicContact CE2-CE 4.21Å; F329-M360 HydrophobicContact CZ-CB 4.28Å; F329-M360 HydrophobicContact CZ-CE 3.74Å; F354-M360 HydrophobicContact CB-CB 4.4Å; F354-M360 HydrophobicContact CB-CG 4.46Å; N357-M360 HydrophobicContact CB-CG 4.02Å; N357-M360 WeakPolarHBondContact ND2-CG 3.38Å; N357-M360 PolarHBondContact O-N 3.17Å; N357-M360 VanDerWaalsContact O-N 3.1Å; P358-M360 VanDerWaalsContact C-N 3.25Å; P358-M360 PolarHBondContact O-N 3.41Å; M360-R362 PolarHBondContact O-N 2.91Å; M360-E363 PolarHBondContact O-N 3.32Å; M360-L364 HydrophobicContact CB-CD1 4.07Å; M360-L364 HydrophobicContact CB-CG 4.36Å; M360-L364 WeakPolarHBondContact O-CB 3.33Å; M360-L364 WeakPolarHBondContact O-CG 3.33Å; M360-L364 PolarHBondContact O-N 3.41Å |
| 361 | T | 94.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.5 | -47.4 | -170.2 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | P358 A359 E363 L364 V365 N399 E403 L405 | P358-T361 WeakPolarHBondContact O-CB 3.49Å; P358-T361 PolarHBondContact O-N 3.43Å; P358-T361 PolarHBondContact O-OG1 2.9Å; A359-T361 VanDerWaalsContact C-N 3.26Å; A359-T361 PolarHBondContact O-N 3.1Å; T361-E363 VanDerWaalsContact C-N 3.31Å; T361-E363 PolarHBondContact O-N 3.27Å; T361-L364 PolarHBondContact O-N 2.97Å; T361-V365 HydrophobicContact CG2-CG1 4.09Å; T361-V365 WeakPolarHBondContact O-CG1 3.28Å; T361-V365 WeakPolarHBondContact O-CG2 3.38Å; T361-V365 PolarHBondContact O-N 3.36Å; T361-N399 HydrophobicContact CG2-CB 3.59Å; T361-N399 WeakPolarHBondContact OG1-CB 3.44Å; T361-N399 PolarHBondContact OG1-ND2 2.97Å; T361-E403 HydrophobicContact CG2-CG 4.22Å; T361-L405 HydrophobicContact CG2-CD1 3.98Å |
| 362 | R | 94.3 | Very high | 94.3 | Very high | 149 Ų | 149 | 47.4 Ų | 47.4 | 56% | 0.562 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64.4 | -37.7 | -174.6 | -161.4 | 178 | -170.3 | -174.7 | 5.4 | 111.7 | M360 S366 E411 | M360-R362 PolarHBondContact O-N 2.91Å; R362-S366 WeakPolarHBondContact O-CB 3.45Å; R362-S366 PolarHBondContact O-N 3.3Å; R362-S366 VanDerWaalsContact O-N 3.16Å; R362-S366 PolarHBondContact O-OG 3.08Å; R362-E411 IonicContact CZ-OE2 3.65Å; R362-E411 IonicContact NE-OE2 3.78Å; R362-E411 IonicContact NH2-OE2 2.7Å; R362-E411 PolarHBondContact NH2-OE2 2.63Å |
| 363 | E | 95.4 | Very high | 94 | Very high | 90 Ų | 90 | 46.8 Ų | 46.8 | 42% | 0.421 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -71.1 | -47 | 175.4 | -68.1 | 180 | -101 | 0 | 0 | 111.6 | S326 F329 M360 T361 V365 S366 C367 | S326-E363 WeakPolarHBondContact CB-OE2 3.38Å; S326-E363 PolarHBondContact OG-OE2 2.84Å; F329-E363 HydrophobicContact CD2-CB 4.15Å; F329-E363 HydrophobicContact CE2-CB 3.82Å; M360-E363 PolarHBondContact O-N 3.32Å; T361-E363 VanDerWaalsContact C-N 3.31Å; T361-E363 PolarHBondContact O-N 3.27Å; E363-V365 PolarHBondContact O-N 2.96Å; E363-S366 PolarHBondContact O-N 3.12Å; E363-C367 PolarHBondContact O-N 3.39Å |
| 364 | L | 96.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.3 | -48.8 | 175.9 | -78.6 | 171.1 | 0 | 0 | 0 | 112.3 | F329 F354 T355 M360 T361 C367 L417 | F329-L364 HydrophobicContact CD1-CD2 4.23Å; F329-L364 HydrophobicContact CD2-CD2 3.73Å; F329-L364 HydrophobicContact CD2-CG 4.04Å; F329-L364 HydrophobicContact CE1-CD2 4.07Å; F329-L364 HydrophobicContact CE2-CB 4.31Å; F329-L364 HydrophobicContact CE2-CD2 3.57Å; F329-L364 HydrophobicContact CE2-CG 3.52Å; F329-L364 HydrophobicContact CG-CD2 4.05Å; F329-L364 HydrophobicContact CZ-CD2 3.74Å; F329-L364 HydrophobicContact CZ-CG 3.89Å; F354-L364 HydrophobicContact CB-CD1 3.89Å; F354-L364 HydrophobicContact CB-CD2 4.17Å; F354-L364 HydrophobicContact CB-CG 4.41Å; T355-L364 HydrophobicContact CG2-CD1 4.02Å; M360-L364 HydrophobicContact CB-CD1 4.07Å; M360-L364 HydrophobicContact CB-CG 4.36Å; M360-L364 WeakPolarHBondContact O-CB 3.33Å; M360-L364 WeakPolarHBondContact O-CG 3.33Å; M360-L364 PolarHBondContact O-N 3.41Å; T361-L364 PolarHBondContact O-N 2.97Å; L364-C367 WeakPolarHBondContact O-CB 3.31Å; L364-C367 PolarHBondContact O-N 3.13Å; L364-L417 WeakPolarHBondContact O-CD2 3.41Å |
| 365 | V | 95.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -78.4 | -23.5 | -174.8 | -56.7 | 0 | 0 | 0 | 0 | 112.8 | T361 E363 C367 I396 I400 L405 F412 S416 L417 F418 | T361-V365 HydrophobicContact CG2-CG1 4.09Å; T361-V365 WeakPolarHBondContact O-CG1 3.28Å; T361-V365 WeakPolarHBondContact O-CG2 3.38Å; T361-V365 PolarHBondContact O-N 3.36Å; E363-V365 PolarHBondContact O-N 2.96Å; V365-C367 VanDerWaalsContact C-N 3.35Å; V365-I396 HydrophobicContact CG1-CG2 3.86Å; V365-I400 HydrophobicContact CG1-CD1 3.92Å; V365-I400 HydrophobicContact CG1-CG1 3.92Å; V365-L405 HydrophobicContact CG2-CD1 3.95Å; V365-F412 HydrophobicContact CG2-CD1 4.43Å; V365-F412 HydrophobicContact CG2-CE1 3.68Å; V365-F412 HydrophobicContact CG2-CZ 3.91Å; V365-S416 WeakPolarHBondContact O-CB 3.28Å; V365-L417 PolarHBondContact O-N 2.98Å; V365-F418 HydrophobicContact CB-CB 4.06Å; V365-F418 WeakPolarHBondContact O-CB 3.38Å; V365-F418 PolarHBondContact O-N 3.17Å |
| 366 | S | 94.9 | Very high | 93.5 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -75 | -24.2 | 170.9 | -60.6 | 0 | 0 | 0 | 0 | 113.1 | R362 E363 K368 F412 | R362-S366 WeakPolarHBondContact O-CB 3.45Å; R362-S366 PolarHBondContact O-N 3.3Å; R362-S366 VanDerWaalsContact O-N 3.16Å; R362-S366 PolarHBondContact O-OG 3.08Å; E363-S366 PolarHBondContact O-N 3.12Å; S366-K368 PolarHBondContact O-N 3.17Å; S366-F412 WeakPolarHBondContact OG-CE1 3.36Å |
| 367 | C | 95.3 | Very high | 93.5 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 7% | 0.074 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -52.7 | 133.9 | -176.9 | -170.1 | 0 | 0 | 0 | 0 | 112.2 | F329 P330 F333 E363 L364 V365 S416 L417 | F329-C367 VanDerWaalsContact C-SG 3.6Å; F329-C367 HydrophobicContact CB-CB 4.4Å; P330-C367 VanDerWaalsContact N-SG 3.41Å; F333-C367 HydrophobicContact CE2-CB 4.47Å; E363-C367 PolarHBondContact O-N 3.39Å; L364-C367 WeakPolarHBondContact O-CB 3.31Å; L364-C367 PolarHBondContact O-N 3.13Å; V365-C367 VanDerWaalsContact C-N 3.35Å; C367-S416 CarbonylContact O-C 3.59Å; C367-S416 VanDerWaalsContact O-CA 3.3Å; C367-S416 WeakPolarHBondContact O-CA 3.5Å; C367-L417 PolarHBondContact O-N 3.42Å |
| 368 | K | 94.1 | Very high | 93.5 | Very high | 147 Ų | 147 | 45.2 Ų | 45.2 | 64% | 0.639 | 25% | 0.248 | S | C | * | . | B | Isolated β-bridge | trans | -78.1 | 125 | 176 | -64.4 | 178.7 | -175.3 | 171.1 | 0 | 109.3 | S366 S415 | S366-K368 PolarHBondContact O-N 3.17Å; K368-S415 CarbonylContact C-O 3.59Å; K368-S415 WeakPolarHBondContact CA-O 3.49Å |
| 369 | V | 93.9 | Very high | 93.7 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | trans | -128 | 150.2 | -175.6 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | F333 L373 S415 L417 L420 | F333-V369 HydrophobicContact CB-CG1 3.85Å; F333-V369 HydrophobicContact CD1-CG1 3.99Å; F333-V369 HydrophobicContact CD2-CG1 3.61Å; F333-V369 HydrophobicContact CE2-CG1 4.18Å; F333-V369 HydrophobicContact CG-CG1 3.53Å; V369-L373 HydrophobicContact CB-CD2 4.42Å; V369-L373 HydrophobicContact CG2-CD2 4.45Å; V369-S415 PolarHBondContact N-O 3.27Å; V369-L417 HydrophobicContact CG1-CB 4.07Å; V369-L417 HydrophobicContact CG1-CD1 4.34Å; V369-L417 HydrophobicContact CG2-CB 4.11Å; V369-L417 HydrophobicContact CG2-CD1 4.12Å; V369-L420 HydrophobicContact CG2-CB 4.32Å; V369-L420 HydrophobicContact CG2-CD2 3.86Å | ||
| 370 | P | 90.5 | Very high | 93.8 | Very high | 39 Ų | 39 | 51.9 Ų | 51.9 | 25% | 0.253 | 26% | 0.258 | S | S | . | . | trans | -59.2 | 139.2 | 170.2 | -23 | 34 | 0 | 0 | 0 | 111.5 | F337 E372 L373 | F337-P370 HydrophobicContact CB-CG 4.45Å; P370-E372 HydrophobicContact CB-CB 4.3Å; P370-E372 PolarHBondContact O-N 3.08Å; P370-L373 VanDerWaalsContact O-CB 3.28Å; P370-L373 WeakPolarHBondContact O-CB 3.16Å; P370-L373 PolarHBondContact O-N 3.19Å; P370-L373 VanDerWaalsContact O-N 3.13Å | ||
| 371 | S | 89.1 | Confident | 93.7 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 48% | 0.476 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -61.7 | -28.8 | 175.5 | 73.8 | 0 | 0 | 0 | 0 | 112 | L373 I374 | S371-L373 PolarHBondContact O-N 2.97Å; S371-L373 VanDerWaalsContact O-N 3.15Å; S371-I374 WeakPolarHBondContact O-CB 3.41Å; S371-I374 VanDerWaalsContact O-CG1 3.31Å; S371-I374 WeakPolarHBondContact O-CG1 3.35Å; S371-I374 PolarHBondContact O-N 2.67Å; S371-I374 VanDerWaalsContact O-N 3.11Å |
| 372 | E | 89.4 | Confident | 93.7 | Very high | 95 Ų | 95 | 57.9 Ų | 57.9 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -62.2 | -14.8 | 177.7 | -66.3 | 74.3 | -173 | 0 | 0 | 112.7 | F337 P370 I374 S375 | F337-E372 HydrophobicContact CD2-CB 3.88Å; F337-E372 HydrophobicContact CE2-CB 3.44Å; F337-E372 VanDerWaalsContact CE2-CB 3.44Å; F337-E372 HydrophobicContact CE2-CG 4Å; F337-E372 HydrophobicContact CZ-CB 4Å; F337-E372 HydrophobicContact CZ-CG 4.09Å; P370-E372 HydrophobicContact CB-CB 4.3Å; P370-E372 PolarHBondContact O-N 3.08Å; E372-I374 PolarHBondContact O-N 2.93Å; E372-I374 VanDerWaalsContact O-N 3.16Å; E372-S375 WeakPolarHBondContact O-CB 3.37Å; E372-S375 PolarHBondContact O-N 2.88Å; E372-S375 PolarHBondContact O-OG 3.14Å |
| 373 | L | 91.6 | Very high | 93.8 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -57.1 | -26.6 | 169.4 | -170.5 | 71.9 | 0 | 0 | 0 | 111.7 | F333 L336 V369 P370 S371 S375 L376 L417 L420 F421 | F333-L373 HydrophobicContact CD1-CD1 4.37Å; F333-L373 HydrophobicContact CD1-CD2 4.04Å; F333-L373 HydrophobicContact CE1-CD2 4.21Å; L336-L373 HydrophobicContact CD2-CD1 3.7Å; L336-L373 HydrophobicContact CG-CD1 4Å; V369-L373 HydrophobicContact CB-CD2 4.42Å; V369-L373 HydrophobicContact CG2-CD2 4.45Å; P370-L373 VanDerWaalsContact O-CB 3.28Å; P370-L373 WeakPolarHBondContact O-CB 3.16Å; P370-L373 PolarHBondContact O-N 3.19Å; P370-L373 VanDerWaalsContact O-N 3.13Å; S371-L373 PolarHBondContact O-N 2.97Å; S371-L373 VanDerWaalsContact O-N 3.15Å; L373-S375 PolarHBondContact O-N 2.91Å; L373-L376 HydrophobicContact CD1-CD1 3.59Å; L373-L376 HydrophobicContact CG-CD1 4.41Å; L373-L376 WeakPolarHBondContact O-CB 3.4Å; L373-L376 PolarHBondContact O-N 2.88Å; L373-L417 HydrophobicContact CD2-CD1 3.87Å; L373-L420 HydrophobicContact CB-CD2 3.88Å; L373-L420 HydrophobicContact CD2-CD2 3.98Å; L373-L420 HydrophobicContact CG-CD2 4.39Å; L373-F421 HydrophobicContact CD2-CE1 3.95Å; L373-F421 HydrophobicContact CD2-CZ 4.19Å |
| 374 | I | 92.2 | Very high | 93.9 | Very high | 25 Ų | 25 | 56.6 Ų | 56.6 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -58.1 | -27.1 | 170.7 | -68 | 170.8 | 0 | 0 | 0 | 112.4 | S371 E372 L376 F377 L420 V426 K430 | S371-I374 WeakPolarHBondContact O-CB 3.41Å; S371-I374 VanDerWaalsContact O-CG1 3.31Å; S371-I374 WeakPolarHBondContact O-CG1 3.35Å; S371-I374 PolarHBondContact O-N 2.67Å; S371-I374 VanDerWaalsContact O-N 3.11Å; E372-I374 PolarHBondContact O-N 2.93Å; E372-I374 VanDerWaalsContact O-N 3.16Å; I374-L376 PolarHBondContact O-N 3.43Å; I374-F377 PolarHBondContact O-N 2.88Å; I374-F377 VanDerWaalsContact O-N 3.15Å; I374-L420 HydrophobicContact CD1-CD1 3.56Å; I374-L420 HydrophobicContact CD1-CG 4.17Å; I374-L420 HydrophobicContact CG1-CD1 3.91Å; I374-L420 HydrophobicContact CG1-CD2 4.24Å; I374-L420 HydrophobicContact CG1-CG 4.07Å; I374-V426 HydrophobicContact CD1-CB 4Å; I374-V426 HydrophobicContact CD1-CG1 3.91Å; I374-V426 HydrophobicContact CG2-CG1 3.82Å; I374-K430 HydrophobicContact CG2-CD 4.43Å; I374-K430 HydrophobicContact CG2-CG 3.94Å |
| 375 | S | 93.5 | Very high | 93.9 | Very high | 52 Ų | 52 | 56.5 Ų | 56.5 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -66.5 | -18 | -179.5 | 71.6 | 0 | 0 | 0 | 0 | 114 | E372 L373 F377 N378 W381 | E372-S375 WeakPolarHBondContact O-CB 3.37Å; E372-S375 PolarHBondContact O-N 2.88Å; E372-S375 PolarHBondContact O-OG 3.14Å; L373-S375 PolarHBondContact O-N 2.91Å; S375-F377 PolarHBondContact O-N 3.42Å; S375-N378 VanDerWaalsContact O-CB 3.32Å; S375-N378 WeakPolarHBondContact O-CB 3.23Å; S375-W381 PolarHBondContact O-NE1 2.84Å |
| 376 | L | 94.8 | Very high | 94 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -68.9 | -23.1 | 174.4 | -63.1 | 174.2 | 0 | 0 | 0 | 112.4 | L336 M348 L373 I374 N378 W381 I385 I389 | L336-L376 HydrophobicContact CD1-CD1 4.07Å; L336-L376 HydrophobicContact CD2-CD1 4.23Å; L336-L376 HydrophobicContact CG-CD1 3.96Å; M348-L376 HydrophobicContact CE-CD1 3.86Å; M348-L376 HydrophobicContact CE-CD2 4.41Å; L373-L376 HydrophobicContact CD1-CD1 3.59Å; L373-L376 HydrophobicContact CG-CD1 4.41Å; L373-L376 WeakPolarHBondContact O-CB 3.4Å; L373-L376 PolarHBondContact O-N 2.88Å; I374-L376 PolarHBondContact O-N 3.43Å; L376-N378 PolarHBondContact O-N 3.24Å; L376-W381 HydrophobicContact CD2-CZ2 4.27Å; L376-W381 VanDerWaalsContact O-CD1 3.29Å; L376-I385 HydrophobicContact CD2-CG2 4.34Å; L376-I389 HydrophobicContact CB-CB 4.35Å; L376-I389 HydrophobicContact CB-CD1 4.4Å; L376-I389 HydrophobicContact CB-CG1 3.9Å; L376-I389 HydrophobicContact CB-CG2 4.36Å; L376-I389 HydrophobicContact CD1-CD1 3.84Å; L376-I389 HydrophobicContact CD1-CG1 4.24Å |
| 377 | F | 95.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -83.2 | 56.4 | 171.6 | -56.4 | -81 | 0 | 0 | 0 | 111.2 | I374 S375 I389 L390 F393 F421 C427 K430 I431 L434 | I374-F377 PolarHBondContact O-N 2.88Å; I374-F377 VanDerWaalsContact O-N 3.15Å; S375-F377 PolarHBondContact O-N 3.42Å; F377-I389 HydrophobicContact CD1-CG1 4.43Å; F377-I389 HydrophobicContact CD1-CG2 4.1Å; F377-I389 HydrophobicContact CE1-CB 4.49Å; F377-I389 HydrophobicContact CE1-CG1 3.85Å; F377-I389 HydrophobicContact CE1-CG2 4.05Å; F377-I389 HydrophobicContact CE2-CG1 4.02Å; F377-I389 HydrophobicContact CZ-CD1 4.42Å; F377-I389 HydrophobicContact CZ-CG1 3.62Å; F377-L390 HydrophobicContact CD1-CD2 4.27Å; F377-L390 HydrophobicContact CE1-CD2 4.22Å; F377-F393 HydrophobicContact CE1-CB 4.17Å; F377-F393 HydrophobicContact CE1-CG 4.44Å; F377-F393 HydrophobicContact CZ-CB 3.96Å; F377-F393 AromaticContact CZ-CD2 3.99Å; F377-F393 HydrophobicContact CZ-CD2 3.99Å; F377-F393 HydrophobicContact CZ-CG 4.19Å; F377-F421 HydrophobicContact CE2-CE1 4.26Å; F377-F421 HydrophobicContact CE2-CZ 4.45Å; F377-F421 HydrophobicContact CZ-CZ 4.33Å; F377-C427 HydrophobicContact CE2-CB 4.39Å; F377-K430 HydrophobicContact CB-CB 3.61Å; F377-K430 HydrophobicContact CB-CG 4.45Å; F377-K430 HydrophobicContact CG-CB 4.46Å; F377-I431 HydrophobicContact CD1-CD1 4.18Å; F377-I431 HydrophobicContact CD1-CG1 3.59Å; F377-I431 HydrophobicContact CE1-CD1 3.84Å; F377-I431 HydrophobicContact CE1-CG1 3.78Å; F377-I431 HydrophobicContact CG-CG1 4.31Å; F377-I431 HydrophobicContact CZ-CD1 4.37Å; F377-L434 HydrophobicContact CB-CD1 4.19Å; F377-L434 HydrophobicContact CD1-CD1 4.37Å |
| 378 | N | 94.3 | Very high | 94.3 | Very high | 47 Ų | 47 | 56.2 Ų | 56.2 | 25% | 0.251 | 27% | 0.272 | S | S | . | . | trans | -124.5 | 134.7 | 178.6 | -174.8 | 14.7 | 0 | 0 | 0 | 111.2 | S375 L376 E380 W381 | S375-N378 VanDerWaalsContact O-CB 3.32Å; S375-N378 WeakPolarHBondContact O-CB 3.23Å; L376-N378 PolarHBondContact O-N 3.24Å; N378-E380 PolarHBondContact ND2-OE2 3.36Å; N378-E380 PolarHBondContact O-N 3.02Å; N378-W381 PolarHBondContact O-N 3.34Å; N378-W381 VanDerWaalsContact O-N 3.14Å | ||
| 379 | K | 94.7 | Very high | 94.4 | Very high | 137 Ų | 137 | 49.2 Ų | 49.2 | 60% | 0.596 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -5.5 | -178.5 | 60.5 | 159.6 | -170.1 | 174 | 0 | 115.3 | L434 | K379-L434 HydrophobicContact CB-CD2 4.13Š|
| 380 | E | 93.9 | Very high | 94.6 | Very high | 143 Ų | 143 | 48.6 Ų | 48.6 | 67% | 0.668 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -14 | -179.1 | -73.3 | 150.6 | -171.8 | 0 | 0 | 112.4 | N378 | N378-E380 PolarHBondContact ND2-OE2 3.36Å; N378-E380 PolarHBondContact O-N 3.02Å |
| 381 | W | 94.8 | Very high | 95 | Very high | 84 Ų | 84 | 48.3 Ų | 48.3 | 32% | 0.318 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -71.5 | 155.9 | 168.9 | -68.9 | 113.5 | 0 | 0 | 0 | 111.3 | K344 S375 L376 N378 I385 L386 | K344-W381 HydrophobicContact CD-CH2 4.49Å; S375-W381 PolarHBondContact O-NE1 2.84Å; L376-W381 HydrophobicContact CD2-CZ2 4.27Å; L376-W381 VanDerWaalsContact O-CD1 3.29Å; N378-W381 PolarHBondContact O-N 3.34Å; N378-W381 VanDerWaalsContact O-N 3.14Å; W381-I385 HydrophobicContact CB-CB 4.34Å; W381-I385 HydrophobicContact CB-CG2 3.89Å; W381-I385 HydrophobicContact CD2-CG2 4.11Å; W381-I385 HydrophobicContact CE3-CD1 3.79Å; W381-I385 HydrophobicContact CE3-CG2 4.32Å; W381-I385 HydrophobicContact CG-CG2 3.92Å; W381-I385 HydrophobicContact CZ3-CD1 4.12Å; W381-L386 HydrophobicContact CB-CD1 4.5Å; W381-L386 HydrophobicContact CB-CD2 4.42Å; W381-L386 HydrophobicContact CB-CG 4.03Å; W381-L386 WeakPolarHBondContact O-CD1 3.34Å |
| 382 | D | 94.3 | Very high | 95.3 | Very high | 49 Ų | 49 | 45 Ų | 45 | 26% | 0.262 | 21% | 0.213 | S | C | . | . | trans | -67.7 | 167.5 | 175.3 | 65.7 | 88.6 | 0 | 0 | 0 | 112.5 | H341 E384 I385 L386 | H341-D382 IonicContact CD2-OD2 3.79Å; H341-D382 PolarHBondContact CD2-OD2 2.91Å; H341-D382 VanDerWaalsContact CD2-OD2 3.29Å; H341-D382 IonicContact NE2-OD1 3.53Å; H341-D382 IonicContact NE2-OD2 3.87Å; D382-E384 VanDerWaalsContact C-N 3.31Å; D382-E384 PolarHBondContact O-N 2.7Å; D382-E384 WeakPolarHBondContact OD1-CA 3.43Å; D382-E384 WeakPolarHBondContact OD1-CB 3.33Å; D382-E384 PolarHBondContact OD1-N 3.08Å; D382-I385 PolarHBondContact OD1-N 3.48Å; D382-I385 WeakPolarHBondContact OD2-CB 3.35Å; D382-I385 VanDerWaalsContact OD2-CD1 3.26Å; D382-I385 WeakPolarHBondContact OD2-CD1 3.23Å; D382-I385 VanDerWaalsContact OD2-CG1 3.25Å; D382-I385 WeakPolarHBondContact OD2-CG1 3.27Å; D382-L386 WeakPolarHBondContact O-CB 3.5Å; D382-L386 WeakPolarHBondContact O-CG 3.33Å; D382-L386 PolarHBondContact O-N 3.47Å | ||
| 383 | R | 96.3 | Very high | 95.7 | Very high | 131 Ų | 131 | 40.6 Ų | 40.6 | 49% | 0.494 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.8 | -34.3 | -179.6 | 177.7 | -178.2 | 169.7 | -149.8 | -12.7 | 113.3 | L387 D439 V442 | R383-L387 HydrophobicContact CG-CD1 3.74Å; R383-L387 HydrophobicContact CG-CG 4.27Å; R383-L387 WeakPolarHBondContact O-CB 3.47Å; R383-L387 WeakPolarHBondContact O-CG 3.36Å; R383-L387 PolarHBondContact O-N 3.21Å; R383-D439 WeakPolarHBondContact CD-OD2 3.46Å; R383-D439 IonicContact NE-OD1 3.22Å; R383-D439 IonicContact NE-OD2 2.7Å; R383-V442 HydrophobicContact CG-CG2 4.16Å |
| 384 | E | 96.9 | Very high | 95.9 | Very high | 81 Ų | 81 | 40.7 Ų | 40.7 | 38% | 0.379 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -76.9 | -46.3 | -176 | -173.8 | 167.2 | -179.1 | 0 | 0 | 110.9 | I345 K349 D382 L386 L387 N388 | I345-E384 HydrophobicContact CD1-CB 4.09Å; I345-E384 HydrophobicContact CD1-CG 3.98Å; I345-E384 HydrophobicContact CG1-CG 4.2Å; I345-E384 HydrophobicContact CG2-CG 4.21Å; I345-E384 VanDerWaalsContact CG2-OE1 3.26Å; I345-E384 WeakPolarHBondContact CG2-OE1 3.44Å; K349-E384 VanDerWaalsContact CE-OE1 3.25Å; K349-E384 WeakPolarHBondContact CE-OE1 3.47Å; K349-E384 IonicContact NZ-OE1 3.2Å; K349-E384 PolarHBondContact NZ-OE1 2.91Å; D382-E384 VanDerWaalsContact C-N 3.31Å; D382-E384 PolarHBondContact O-N 2.7Å; D382-E384 WeakPolarHBondContact OD1-CA 3.43Å; D382-E384 WeakPolarHBondContact OD1-CB 3.33Å; D382-E384 PolarHBondContact OD1-N 3.08Å; E384-L386 VanDerWaalsContact C-N 3.32Å; E384-L386 PolarHBondContact O-N 3.45Å; E384-L387 PolarHBondContact O-N 3Å; E384-N388 WeakPolarHBondContact CG-ND2 3.5Å; E384-N388 VanDerWaalsContact O-CB 3.27Å; E384-N388 WeakPolarHBondContact O-CB 3.44Å; E384-N388 PolarHBondContact O-N 3.23Å; E384-N388 PolarHBondContact O-ND2 3.04Å; E384-N388 VanDerWaalsContact O-ND2 3.14Å |
| 385 | I | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.5 | -46.1 | 171.5 | -72.6 | -173.9 | 0 | 0 | 0 | 110.8 | K344 I345 M348 L376 W381 D382 N388 I389 | K344-I385 HydrophobicContact CB-CD1 4.26Å; K344-I385 HydrophobicContact CD-CD1 4.22Å; I345-I385 HydrophobicContact CD1-CG1 4.08Å; I345-I385 HydrophobicContact CG1-CD1 4.45Å; I345-I385 HydrophobicContact CG1-CG1 3.69Å; M348-I385 HydrophobicContact CE-CG2 3.86Å; L376-I385 HydrophobicContact CD2-CG2 4.34Å; W381-I385 HydrophobicContact CB-CB 4.34Å; W381-I385 HydrophobicContact CB-CG2 3.89Å; W381-I385 HydrophobicContact CD2-CG2 4.11Å; W381-I385 HydrophobicContact CE3-CD1 3.79Å; W381-I385 HydrophobicContact CE3-CG2 4.32Å; W381-I385 HydrophobicContact CG-CG2 3.92Å; W381-I385 HydrophobicContact CZ3-CD1 4.12Å; D382-I385 PolarHBondContact OD1-N 3.48Å; D382-I385 WeakPolarHBondContact OD2-CB 3.35Å; D382-I385 VanDerWaalsContact OD2-CD1 3.26Å; D382-I385 WeakPolarHBondContact OD2-CD1 3.23Å; D382-I385 VanDerWaalsContact OD2-CG1 3.25Å; D382-I385 WeakPolarHBondContact OD2-CG1 3.27Å; I385-N388 PolarHBondContact O-N 3.32Å; I385-I389 WeakPolarHBondContact O-CG2 3.37Å; I385-I389 PolarHBondContact O-N 2.91Å |
| 386 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65 | -45.7 | 179.4 | -77.1 | 172.9 | 0 | 0 | 0 | 113.3 | W381 D382 E384 N388 L390 L434 V442 | W381-L386 HydrophobicContact CB-CD1 4.5Å; W381-L386 HydrophobicContact CB-CD2 4.42Å; W381-L386 HydrophobicContact CB-CG 4.03Å; W381-L386 WeakPolarHBondContact O-CD1 3.34Å; D382-L386 WeakPolarHBondContact O-CB 3.5Å; D382-L386 WeakPolarHBondContact O-CG 3.33Å; D382-L386 PolarHBondContact O-N 3.47Å; E384-L386 VanDerWaalsContact C-N 3.32Å; E384-L386 PolarHBondContact O-N 3.45Å; L386-N388 VanDerWaalsContact C-N 3.33Å; L386-N388 PolarHBondContact O-N 2.89Å; L386-L390 VanDerWaalsContact O-CB 3.29Å; L386-L390 WeakPolarHBondContact O-CB 3.48Å; L386-L390 WeakPolarHBondContact O-CD1 3.49Å; L386-L390 WeakPolarHBondContact O-CG 3.49Å; L386-L390 PolarHBondContact O-N 3.39Å; L386-L390 VanDerWaalsContact O-N 3.09Å; L386-L434 HydrophobicContact CD2-CD1 3.88Å; L386-L434 HydrophobicContact CD2-CD2 4Å; L386-V442 HydrophobicContact CB-CG1 4.39Å; L386-V442 HydrophobicContact CB-CG2 4.19Å; L386-V442 HydrophobicContact CD1-CG1 4.31Å; L386-V442 HydrophobicContact CD1-CG2 4.48Å |
| 387 | L | 98.1 | Very high | 96.1 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 18% | 0.178 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.6 | -33.9 | 178.9 | -71.2 | 175.8 | 0 | 0 | 0 | 112.4 | R383 E384 T391 V441 V442 K445 | R383-L387 HydrophobicContact CG-CD1 3.74Å; R383-L387 HydrophobicContact CG-CG 4.27Å; R383-L387 WeakPolarHBondContact O-CB 3.47Å; R383-L387 WeakPolarHBondContact O-CG 3.36Å; R383-L387 PolarHBondContact O-N 3.21Å; E384-L387 PolarHBondContact O-N 3Å; L387-T391 WeakPolarHBondContact O-CB 3.46Å; L387-T391 PolarHBondContact O-N 2.99Å; L387-T391 VanDerWaalsContact O-N 3.14Å; L387-T391 PolarHBondContact O-OG1 3.08Å; L387-V441 HydrophobicContact CD1-CG1 3.95Å; L387-V441 HydrophobicContact CD2-CG1 4.22Å; L387-V442 HydrophobicContact CD2-CG2 4.24Å; L387-V442 HydrophobicContact CG-CG2 4.23Å; L387-K445 HydrophobicContact CD2-CB 3.6Å; L387-K445 HydrophobicContact CD2-CG 3.87Å |
| 388 | N | 98 | Very high | 96 | Very high | 25 Ų | 25 | 40 Ų | 40 | 13% | 0.134 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71 | -49.9 | 177 | -71.7 | -23.6 | 0 | 0 | 0 | 111.8 | M348 I352 E384 I385 L386 L390 T391 L392 | M348-N388 HydrophobicContact CB-CB 4.01Å; M348-N388 HydrophobicContact CG-CB 4.26Å; M348-N388 HydrophobicContact SD-CB 3.38Å; M348-N388 WeakPolarHBondContact SD-CB 3.38Å; I352-N388 HydrophobicContact CD1-CB 4.19Å; E384-N388 WeakPolarHBondContact CG-ND2 3.5Å; E384-N388 VanDerWaalsContact O-CB 3.27Å; E384-N388 WeakPolarHBondContact O-CB 3.44Å; E384-N388 PolarHBondContact O-N 3.23Å; E384-N388 PolarHBondContact O-ND2 3.04Å; E384-N388 VanDerWaalsContact O-ND2 3.14Å; I385-N388 PolarHBondContact O-N 3.32Å; L386-N388 VanDerWaalsContact C-N 3.33Å; L386-N388 PolarHBondContact O-N 2.89Å; N388-L390 VanDerWaalsContact C-N 3.31Å; N388-L390 PolarHBondContact O-N 2.92Å; N388-T391 WeakPolarHBondContact O-CA 3.27Å; N388-T391 WeakPolarHBondContact O-CB 3.32Å; N388-T391 PolarHBondContact O-N 3.4Å; N388-L392 PolarHBondContact O-N 3.48Å |
| 389 | I | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.1 | -34.2 | 179 | -164.6 | 63.7 | 0 | 0 | 0 | 112.5 | M348 L376 F377 I385 T391 L392 F393 | M348-I389 HydrophobicContact CE-CB 3.84Å; M348-I389 HydrophobicContact CE-CD1 4.35Å; L376-I389 HydrophobicContact CB-CB 4.35Å; L376-I389 HydrophobicContact CB-CD1 4.4Å; L376-I389 HydrophobicContact CB-CG1 3.9Å; L376-I389 HydrophobicContact CB-CG2 4.36Å; L376-I389 HydrophobicContact CD1-CD1 3.84Å; L376-I389 HydrophobicContact CD1-CG1 4.24Å; F377-I389 HydrophobicContact CD1-CG1 4.43Å; F377-I389 HydrophobicContact CD1-CG2 4.1Å; F377-I389 HydrophobicContact CE1-CB 4.49Å; F377-I389 HydrophobicContact CE1-CG1 3.85Å; F377-I389 HydrophobicContact CE1-CG2 4.05Å; F377-I389 HydrophobicContact CE2-CG1 4.02Å; F377-I389 HydrophobicContact CZ-CD1 4.42Å; F377-I389 HydrophobicContact CZ-CG1 3.62Å; I385-I389 WeakPolarHBondContact O-CG2 3.37Å; I385-I389 PolarHBondContact O-N 2.91Å; I389-T391 VanDerWaalsContact C-N 3.26Å; I389-T391 PolarHBondContact O-N 2.95Å; I389-L392 HydrophobicContact CD1-CD1 4.35Å; I389-F393 WeakPolarHBondContact O-CB 3.49Å; I389-F393 PolarHBondContact O-N 3.46Å |
| 390 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.7 | -24.5 | 171.8 | -71.8 | 168 | 0 | 0 | 0 | 112.8 | F377 L386 N388 E394 I431 L434 V442 K445 V446 | F377-L390 HydrophobicContact CD1-CD2 4.27Å; F377-L390 HydrophobicContact CE1-CD2 4.22Å; L386-L390 VanDerWaalsContact O-CB 3.29Å; L386-L390 WeakPolarHBondContact O-CB 3.48Å; L386-L390 WeakPolarHBondContact O-CD1 3.49Å; L386-L390 WeakPolarHBondContact O-CG 3.49Å; L386-L390 PolarHBondContact O-N 3.39Å; L386-L390 VanDerWaalsContact O-N 3.09Å; N388-L390 VanDerWaalsContact C-N 3.31Å; N388-L390 PolarHBondContact O-N 2.92Å; L390-E394 WeakPolarHBondContact O-CB 3.14Å; L390-E394 PolarHBondContact O-N 3.18Å; L390-E394 VanDerWaalsContact O-N 3.13Å; L390-I431 HydrophobicContact CD2-CD1 4.44Å; L390-I431 HydrophobicContact CD2-CG1 3.96Å; L390-I431 HydrophobicContact CD2-CG2 4.03Å; L390-L434 HydrophobicContact CD2-CD1 4.45Å; L390-V442 HydrophobicContact CD1-CG1 4.31Å; L390-K445 VanDerWaalsContact C-CE 3.5Å; L390-K445 HydrophobicContact CB-CD 4.43Å; L390-K445 HydrophobicContact CB-CG 3.72Å; L390-K445 HydrophobicContact CD1-CB 4.4Å; L390-K445 HydrophobicContact CD1-CG 3.9Å; L390-K445 HydrophobicContact CG-CG 4.44Å; L390-K445 WeakPolarHBondContact O-CE 3.49Å; L390-V446 HydrophobicContact CD1-CG2 3.55Å; L390-V446 HydrophobicContact CD2-CG2 4.15Å |
| 391 | T | 97.6 | Very high | 95.6 | Very high | 32 Ų | 32 | 29.9 Ų | 29.9 | 20% | 0.196 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -81.1 | -45.9 | 174.8 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | I352 L387 N388 I389 F393 E394 N395 K445 | I352-T391 HydrophobicContact CD1-CG2 4.4Å; I352-T391 HydrophobicContact CG2-CG2 4.45Å; L387-T391 WeakPolarHBondContact O-CB 3.46Å; L387-T391 PolarHBondContact O-N 2.99Å; L387-T391 VanDerWaalsContact O-N 3.14Å; L387-T391 PolarHBondContact O-OG1 3.08Å; N388-T391 WeakPolarHBondContact O-CA 3.27Å; N388-T391 WeakPolarHBondContact O-CB 3.32Å; N388-T391 PolarHBondContact O-N 3.4Å; I389-T391 VanDerWaalsContact C-N 3.26Å; I389-T391 PolarHBondContact O-N 2.95Å; T391-F393 VanDerWaalsContact C-N 3.25Å; T391-F393 PolarHBondContact O-N 2.99Å; T391-E394 PolarHBondContact O-N 3.05Å; T391-E394 VanDerWaalsContact O-N 3.08Å; T391-N395 PolarHBondContact O-N 3.17Å; T391-N395 PolarHBondContact O-OD1 3.47Å; T391-K445 WeakPolarHBondContact OG1-CE 3.3Å; T391-K445 PolarHBondContact OG1-NZ 2.92Å |
| 392 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55 | -43 | 173 | -166.6 | 164.1 | 0 | 0 | 0 | 110.7 | L336 I351 I352 N388 I389 I396 F421 | L336-L392 HydrophobicContact CD2-CD1 4.49Å; I351-L392 HydrophobicContact CB-CD1 4.03Å; I351-L392 HydrophobicContact CG2-CD1 3.63Å; I351-L392 HydrophobicContact CG2-CG 4Å; I352-L392 HydrophobicContact CG1-CB 4.13Å; N388-L392 PolarHBondContact O-N 3.48Å; I389-L392 HydrophobicContact CD1-CD1 4.35Å; L392-I396 HydrophobicContact CD2-CD1 3.65Å; L392-I396 HydrophobicContact CD2-CG1 4.5Å; L392-I396 WeakPolarHBondContact O-CB 3.33Å; L392-I396 VanDerWaalsContact O-CG1 3.31Å; L392-I396 WeakPolarHBondContact O-CG1 3.44Å; L392-I396 PolarHBondContact O-N 2.66Å; L392-I396 VanDerWaalsContact O-N 3.12Å; L392-F421 HydrophobicContact CD2-CE2 3.67Å; L392-F421 HydrophobicContact CD2-CZ 3.99Å |
| 393 | F | 96.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | 173.4 | -178.7 | -84.1 | 0 | 0 | 0 | 113.8 | F377 I389 T391 N397 F421 C427 V428 I431 V449 L453 | F377-F393 HydrophobicContact CE1-CB 4.17Å; F377-F393 HydrophobicContact CE1-CG 4.44Å; F377-F393 HydrophobicContact CZ-CB 3.96Å; F377-F393 AromaticContact CZ-CD2 3.99Å; F377-F393 HydrophobicContact CZ-CD2 3.99Å; F377-F393 HydrophobicContact CZ-CG 4.19Å; I389-F393 WeakPolarHBondContact O-CB 3.49Å; I389-F393 PolarHBondContact O-N 3.46Å; T391-F393 VanDerWaalsContact C-N 3.25Å; T391-F393 PolarHBondContact O-N 2.99Å; F393-N397 HydrophobicContact CE1-CB 4.45Å; F393-N397 WeakPolarHBondContact O-CB 3.22Å; F393-N397 PolarHBondContact O-N 3.47Å; F393-F421 HydrophobicContact CB-CD2 4.35Å; F393-F421 HydrophobicContact CB-CE2 3.99Å; F393-F421 HydrophobicContact CD2-CB 4.18Å; F393-F421 HydrophobicContact CD2-CD1 4.33Å; F393-F421 AromaticContact CD2-CD2 3.52Å; F393-F421 HydrophobicContact CD2-CD2 3.52Å; F393-F421 AromaticContact CD2-CE2 3.87Å; F393-F421 HydrophobicContact CD2-CE2 3.87Å; F393-F421 AromaticContact CD2-CG 3.77Å; F393-F421 HydrophobicContact CD2-CG 3.77Å; F393-F421 HydrophobicContact CD2-CZ 4.4Å; F393-F421 HydrophobicContact CE2-CB 4.01Å; F393-F421 HydrophobicContact CE2-CD2 4.21Å; F393-F421 HydrophobicContact CE2-CG 4.09Å; F393-F421 HydrophobicContact CG-CD2 4.29Å; F393-F421 HydrophobicContact CG-CE2 4.39Å; F393-C427 HydrophobicContact CD2-CB 4.24Å; F393-C427 HydrophobicContact CE2-CB 3.69Å; F393-V428 HydrophobicContact CZ-CG2 4.43Å; F393-I431 HydrophobicContact CD1-CD1 3.57Å; F393-I431 HydrophobicContact CD2-CD1 3.96Å; F393-I431 HydrophobicContact CE1-CD1 3.54Å; F393-I431 HydrophobicContact CE2-CD1 3.92Å; F393-I431 HydrophobicContact CG-CD1 3.8Å; F393-I431 HydrophobicContact CZ-CD1 3.71Å; F393-V449 HydrophobicContact CD1-CG1 3.69Å; F393-V449 HydrophobicContact CE1-CG1 3.77Å; F393-L453 HydrophobicContact CE1-CD1 3.93Å; F393-L453 HydrophobicContact CE1-CD2 3.88Å; F393-L453 HydrophobicContact CE1-CG 4.26Å; F393-L453 HydrophobicContact CZ-CD1 4.24Å; F393-L453 HydrophobicContact CZ-CD2 3.89Å |
| 394 | E | 95.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.028 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.3 | -54 | 177.4 | -166.2 | -178.7 | 168.7 | 0 | 0 | 110.5 | L390 T391 I396 N397 D398 K445 K448 V449 K452 | L390-E394 WeakPolarHBondContact O-CB 3.14Å; L390-E394 PolarHBondContact O-N 3.18Å; L390-E394 VanDerWaalsContact O-N 3.13Å; T391-E394 PolarHBondContact O-N 3.05Å; T391-E394 VanDerWaalsContact O-N 3.08Å; E394-I396 PolarHBondContact O-N 2.94Å; E394-N397 PolarHBondContact O-N 3.34Å; E394-D398 WeakPolarHBondContact O-CB 3.47Å; E394-D398 VanDerWaalsContact O-CG 3.29Å; E394-D398 PolarHBondContact O-N 2.61Å; E394-K445 IonicContact OE2-NZ 3.29Å; E394-K445 PolarHBondContact OE2-NZ 3.39Å; E394-K448 WeakPolarHBondContact OE1-CE 3.29Å; E394-K448 IonicContact OE1-NZ 2.65Å; E394-K448 PolarHBondContact OE1-NZ 3.48Å; E394-K448 IonicContact OE2-NZ 3.23Å; E394-K448 PolarHBondContact OE2-NZ 3.44Å; E394-V449 HydrophobicContact CB-CG2 4.01Å; E394-V449 HydrophobicContact CG-CG2 4.17Å; E394-K452 HydrophobicContact CG-CD 4.06Å; E394-K452 WeakPolarHBondContact OE1-CE 3.33Å; E394-K452 IonicContact OE1-NZ 3.9Å; E394-K452 PolarHBondContact OE1-NZ 2.6Å |
| 395 | N | 96.1 | Very high | 94.2 | Very high | 28 Ų | 28 | 26.6 Ų | 26.6 | 15% | 0.15 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | -178.1 | -63.6 | 8.2 | 0 | 0 | 0 | 111.2 | T355 T391 N397 D398 N399 | T355-N395 WeakPolarHBondContact OG1-CB 3.3Å; T355-N395 PolarHBondContact OG1-ND2 3.49Å; T391-N395 PolarHBondContact O-N 3.17Å; T391-N395 PolarHBondContact O-OD1 3.47Å; N395-N397 PolarHBondContact O-N 3.1Å; N395-D398 PolarHBondContact O-N 3.01Å; N395-N399 VanDerWaalsContact O-CG 3.27Å; N395-N399 PolarHBondContact O-N 3.12Å; N395-N399 PolarHBondContact O-OD1 3.37Å; N395-N399 VanDerWaalsContact O-OD1 3.08Å |
| 396 | I | 94.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | -180 | -71.3 | -176.5 | 0 | 0 | 0 | 112.5 | T355 V365 L392 E394 D398 N399 I400 L417 F421 | T355-I396 HydrophobicContact CG2-CD1 3.93Å; T355-I396 HydrophobicContact CG2-CG1 3.58Å; V365-I396 HydrophobicContact CG1-CG2 3.86Å; L392-I396 HydrophobicContact CD2-CD1 3.65Å; L392-I396 HydrophobicContact CD2-CG1 4.5Å; L392-I396 WeakPolarHBondContact O-CB 3.33Å; L392-I396 VanDerWaalsContact O-CG1 3.31Å; L392-I396 WeakPolarHBondContact O-CG1 3.44Å; L392-I396 PolarHBondContact O-N 2.66Å; L392-I396 VanDerWaalsContact O-N 3.12Å; E394-I396 PolarHBondContact O-N 2.94Å; I396-D398 VanDerWaalsContact C-N 3.32Å; I396-D398 PolarHBondContact O-N 3.37Å; I396-N399 PolarHBondContact O-N 3.39Å; I396-I400 HydrophobicContact CG2-CD1 3.7Å; I396-I400 HydrophobicContact CG2-CG1 4.38Å; I396-I400 WeakPolarHBondContact O-CB 3.43Å; I396-I400 VanDerWaalsContact O-CG1 3.22Å; I396-I400 WeakPolarHBondContact O-CG1 3.13Å; I396-I400 PolarHBondContact O-N 2.96Å; I396-L417 HydrophobicContact CD1-CD2 3.5Å; I396-L417 HydrophobicContact CD1-CG 4.26Å; I396-F421 HydrophobicContact CB-CD2 4.35Å; I396-F421 HydrophobicContact CD1-CE2 4.36Å; I396-F421 HydrophobicContact CG2-CD2 4.11Å |
| 397 | N | 93.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.032 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.1 | -32.8 | 178 | 169 | 83.3 | 0 | 0 | 0 | 112.3 | F393 E394 N395 K401 K422 | F393-N397 HydrophobicContact CE1-CB 4.45Å; F393-N397 WeakPolarHBondContact O-CB 3.22Å; F393-N397 PolarHBondContact O-N 3.47Å; E394-N397 PolarHBondContact O-N 3.34Å; N395-N397 PolarHBondContact O-N 3.1Å; N397-K401 WeakPolarHBondContact O-CG 3.47Å; N397-K401 PolarHBondContact O-N 3.13Å; N397-K422 PolarHBondContact OD1-NZ 3.24Å |
| 398 | D | 93.6 | Very high | 91.8 | Very high | 31 Ų | 31 | 34.2 Ų | 34.2 | 17% | 0.166 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.3 | -45.4 | 175.1 | -69.9 | -7.9 | 0 | 0 | 0 | 111.1 | E394 N395 I396 I400 K401 N402 K452 | E394-D398 WeakPolarHBondContact O-CB 3.47Å; E394-D398 VanDerWaalsContact O-CG 3.29Å; E394-D398 PolarHBondContact O-N 2.61Å; N395-D398 PolarHBondContact O-N 3.01Å; I396-D398 VanDerWaalsContact C-N 3.32Å; I396-D398 PolarHBondContact O-N 3.37Å; D398-I400 VanDerWaalsContact C-N 3.34Å; D398-I400 PolarHBondContact O-N 3.31Å; D398-K401 WeakPolarHBondContact O-CA 3.36Å; D398-K401 WeakPolarHBondContact O-CB 3.08Å; D398-K401 PolarHBondContact O-N 2.89Å; D398-N402 PolarHBondContact O-N 2.98Å; D398-N402 PolarHBondContact O-ND2 3.46Å; D398-N402 PolarHBondContact O-OD1 3.04Å; D398-K452 IonicContact OD2-NZ 2.65Å; D398-K452 PolarHBondContact OD2-NZ 3.14Å |
| 399 | N | 93.6 | Very high | 90.7 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 11% | 0.107 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 175.5 | -63.7 | 11.2 | 0 | 0 | 0 | 111.7 | T355 T361 N395 I396 K401 N402 E403 | T355-N399 PolarHBondContact O-ND2 3.47Å; T361-N399 HydrophobicContact CG2-CB 3.59Å; T361-N399 WeakPolarHBondContact OG1-CB 3.44Å; T361-N399 PolarHBondContact OG1-ND2 2.97Å; N395-N399 VanDerWaalsContact O-CG 3.27Å; N395-N399 PolarHBondContact O-N 3.12Å; N395-N399 PolarHBondContact O-OD1 3.37Å; N395-N399 VanDerWaalsContact O-OD1 3.08Å; I396-N399 PolarHBondContact O-N 3.39Å; N399-K401 PolarHBondContact O-N 3.48Å; N399-N402 PolarHBondContact O-N 2.89Å; N399-E403 VanDerWaalsContact O-CB 3.3Å; N399-E403 WeakPolarHBondContact O-CB 3.33Å; N399-E403 WeakPolarHBondContact O-CG 3.15Å; N399-E403 PolarHBondContact O-N 3.31Å |
| 400 | I | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59 | -28.7 | 174 | -75.4 | 168.4 | 0 | 0 | 0 | 112.6 | V365 I396 D398 L405 A406 F418 K422 | V365-I400 HydrophobicContact CG1-CD1 3.92Å; V365-I400 HydrophobicContact CG1-CG1 3.92Å; I396-I400 HydrophobicContact CG2-CD1 3.7Å; I396-I400 HydrophobicContact CG2-CG1 4.38Å; I396-I400 WeakPolarHBondContact O-CB 3.43Å; I396-I400 VanDerWaalsContact O-CG1 3.22Å; I396-I400 WeakPolarHBondContact O-CG1 3.13Å; I396-I400 PolarHBondContact O-N 2.96Å; D398-I400 VanDerWaalsContact C-N 3.34Å; D398-I400 PolarHBondContact O-N 3.31Å; I400-L405 PolarHBondContact O-N 3.04Å; I400-A406 HydrophobicContact CG2-CB 4.32Å; I400-A406 PolarHBondContact O-N 2.95Å; I400-F418 HydrophobicContact CD1-CD2 3.8Å; I400-F418 HydrophobicContact CD1-CE2 4.3Å; I400-F418 HydrophobicContact CG1-CD2 4.13Å; I400-F418 HydrophobicContact CG1-CE2 4.39Å; I400-F418 HydrophobicContact CG2-CD2 4.37Å; I400-F418 HydrophobicContact CG2-CE2 3.81Å; I400-K422 HydrophobicContact CG2-CG 4.44Å |
| 401 | K | 90.3 | Very high | 89.2 | Confident | 95 Ų | 95 | 55.4 Ų | 55.4 | 41% | 0.413 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -79 | -48.4 | 173.5 | -70.8 | 175.8 | 174.5 | -166.1 | 0 | 111.2 | N397 D398 N399 G404 K452 | N397-K401 WeakPolarHBondContact O-CG 3.47Å; N397-K401 PolarHBondContact O-N 3.13Å; D398-K401 WeakPolarHBondContact O-CA 3.36Å; D398-K401 WeakPolarHBondContact O-CB 3.08Å; D398-K401 PolarHBondContact O-N 2.89Å; N399-K401 PolarHBondContact O-N 3.48Å; K401-G404 PolarHBondContact O-N 3.22Å; K401-K452 PolarHBondContact NZ-O 3.25Å |
| 402 | N | 90.7 | Very high | 89 | Confident | 124 Ų | 124 | 54.9 Ų | 54.9 | 66% | 0.663 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.9 | -43.3 | -175.3 | -61.5 | -15 | 0 | 0 | 0 | 112.1 | D398 N399 G404 | D398-N402 PolarHBondContact O-N 2.98Å; D398-N402 PolarHBondContact O-ND2 3.46Å; D398-N402 PolarHBondContact O-OD1 3.04Å; N399-N402 PolarHBondContact O-N 2.89Å; N402-G404 PolarHBondContact O-N 3.17Å |
| 403 | E | 88.7 | Confident | 88.7 | Confident | 94 Ų | 94 | 57.1 Ų | 57.1 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 6.6 | 178.6 | -60.8 | -61.7 | 124.6 | 0 | 0 | 113.3 | T361 N399 L405 | T361-E403 HydrophobicContact CG2-CG 4.22Å; N399-E403 VanDerWaalsContact O-CB 3.3Å; N399-E403 WeakPolarHBondContact O-CB 3.33Å; N399-E403 WeakPolarHBondContact O-CG 3.15Å; N399-E403 PolarHBondContact O-N 3.31Å; E403-L405 HydrophobicContact CB-CD1 3.98Å; E403-L405 HydrophobicContact CB-CG 3.75Å; E403-L405 PolarHBondContact O-N 3.11Å |
| 404 | G | 86.3 | Confident | 88.5 | Confident | 43 Ų | 43 | 67.4 Ų | 67.4 | 44% | 0.443 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 67.1 | -4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | K401 N402 A406 S407 | K401-G404 PolarHBondContact O-N 3.22Å; N402-G404 PolarHBondContact O-N 3.17Å; G404-A406 PolarHBondContact O-N 3.45Å; G404-S407 PolarHBondContact O-N 3.4Å; G404-S407 VanDerWaalsContact O-N 3.16Å |
| 405 | L | 87.3 | Confident | 88.3 | Confident | 16 Ų | 16 | 70 Ų | 70 | 8% | 0.084 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -58.9 | -15.8 | -171.3 | -59.7 | 178.2 | 0 | 0 | 0 | 114.6 | T361 V365 I400 E403 S407 S408 F412 F418 | T361-L405 HydrophobicContact CG2-CD1 3.98Å; V365-L405 HydrophobicContact CG2-CD1 3.95Å; I400-L405 PolarHBondContact O-N 3.04Å; E403-L405 HydrophobicContact CB-CD1 3.98Å; E403-L405 HydrophobicContact CB-CG 3.75Å; E403-L405 PolarHBondContact O-N 3.11Å; L405-S407 PolarHBondContact O-N 3.24Å; L405-S408 WeakPolarHBondContact O-CB 3.49Å; L405-S408 PolarHBondContact O-N 3Å; L405-F412 HydrophobicContact CB-CE2 4.32Å; L405-F412 HydrophobicContact CB-CZ 4.34Å; L405-F412 HydrophobicContact CD1-CZ 4.31Å; L405-F412 HydrophobicContact CD2-CZ 4.26Å; L405-F418 HydrophobicContact CB-CE2 4.37Å; L405-F418 WeakPolarHBondContact O-CE2 3.13Å; L405-F418 WeakPolarHBondContact O-CZ 3.45Å |
| 406 | A | 80 | Confident | 88.3 | Confident | 48 Ų | 48 | 68.6 Ų | 68.6 | 40% | 0.397 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -54.4 | -30.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I400 G404 | I400-A406 HydrophobicContact CG2-CB 4.32Å; I400-A406 PolarHBondContact O-N 2.95Å; G404-A406 PolarHBondContact O-N 3.45Å |
| 407 | S | 80.4 | Confident | 88.3 | Confident | 116 Ų | 116 | 68.5 Ų | 68.5 | 81% | 0.811 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -79.9 | -24 | 174.8 | -62.6 | 0 | 0 | 0 | 0 | 113.2 | G404 L405 R409 | G404-S407 PolarHBondContact O-N 3.4Å; G404-S407 VanDerWaalsContact O-N 3.16Å; L405-S407 PolarHBondContact O-N 3.24Å; S407-R409 PolarHBondContact O-N 3.18Å; S407-R409 VanDerWaalsContact O-N 3.1Å |
| 408 | S | 81.1 | Confident | 88.4 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 20% | 0.203 | 35% | 0.351 | C | S | . | . | trans | -82 | 24.9 | -172.2 | -76 | 0 | 0 | 0 | 0 | 114.8 | L405 K410 E411 F412 | L405-S408 WeakPolarHBondContact O-CB 3.49Å; L405-S408 PolarHBondContact O-N 3Å; S408-K410 PolarHBondContact O-N 3.1Å; S408-E411 WeakPolarHBondContact CB-OE1 3.31Å; S408-E411 WeakPolarHBondContact O-CB 3.48Å; S408-E411 PolarHBondContact O-N 2.78Å; S408-E411 PolarHBondContact OG-OE1 2.73Å; S408-F412 WeakPolarHBondContact O-CD2 3.41Å | ||
| 409 | R | 75.4 | Confident | 88.4 | Confident | 158 Ų | 158 | 70 Ų | 70 | 60% | 0.596 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -45.2 | -35.4 | -178.6 | 178.1 | -170.4 | -74.6 | 178.2 | -8.7 | 114.1 | S407 E411 F412 E423 | S407-R409 PolarHBondContact O-N 3.18Å; S407-R409 VanDerWaalsContact O-N 3.1Å; R409-E411 VanDerWaalsContact C-N 3.28Å; R409-E411 PolarHBondContact O-N 3.47Å; R409-F412 PolarHBondContact O-N 3.23Å; R409-E423 WeakPolarHBondContact CG-OE1 3.15Å; R409-E423 IonicContact CZ-OE1 3.49Å; R409-E423 IonicContact CZ-OE2 3.26Å; R409-E423 VanDerWaalsContact CZ-OE2 3.26Å; R409-E423 IonicContact NE-OE1 2.73Å; R409-E423 PolarHBondContact NE-OE1 3.14Å; R409-E423 IonicContact NE-OE2 3.19Å; R409-E423 PolarHBondContact NE-OE2 3.39Å; R409-E423 IonicContact NH2-OE1 3.39Å; R409-E423 PolarHBondContact NH2-OE1 3.42Å; R409-E423 IonicContact NH2-OE2 2.67Å; R409-E423 PolarHBondContact NH2-OE2 2.86Å |
| 410 | K | 78.8 | Confident | 88.4 | Confident | 212 Ų | 212 | 69.9 Ų | 69.9 | 92% | 0.922 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -70.1 | -18.7 | -178.1 | -64.8 | -175.7 | -177.4 | 177.3 | 0 | 114.2 | S408 | S408-K410 PolarHBondContact O-N 3.1Š|
| 411 | E | 84.9 | Confident | 88.4 | Confident | 101 Ų | 101 | 70.1 Ų | 70.1 | 47% | 0.472 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -80.3 | -23.5 | 180 | -62.7 | 175.7 | -134.8 | 0 | 0 | 112.5 | R362 S408 R409 | R362-E411 IonicContact CZ-OE2 3.65Å; R362-E411 IonicContact NE-OE2 3.78Å; R362-E411 IonicContact NH2-OE2 2.7Å; R362-E411 PolarHBondContact NH2-OE2 2.63Å; S408-E411 WeakPolarHBondContact CB-OE1 3.31Å; S408-E411 WeakPolarHBondContact O-CB 3.48Å; S408-E411 PolarHBondContact O-N 2.78Å; S408-E411 PolarHBondContact OG-OE1 2.73Å; R409-E411 VanDerWaalsContact C-N 3.28Å; R409-E411 PolarHBondContact O-N 3.47Å |
| 412 | F | 91.6 | Very high | 88.3 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 9% | 0.088 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -102.9 | 132.3 | -169.5 | -56.1 | -67.2 | 0 | 0 | 0 | 113 | V365 S366 L405 S408 R409 F418 | V365-F412 HydrophobicContact CG2-CD1 4.43Å; V365-F412 HydrophobicContact CG2-CE1 3.68Å; V365-F412 HydrophobicContact CG2-CZ 3.91Å; S366-F412 WeakPolarHBondContact OG-CE1 3.36Å; L405-F412 HydrophobicContact CB-CE2 4.32Å; L405-F412 HydrophobicContact CB-CZ 4.34Å; L405-F412 HydrophobicContact CD1-CZ 4.31Å; L405-F412 HydrophobicContact CD2-CZ 4.26Å; S408-F412 WeakPolarHBondContact O-CD2 3.41Å; R409-F412 PolarHBondContact O-N 3.23Å; F412-F418 HydrophobicContact CB-CB 3.97Å; F412-F418 HydrophobicContact CB-CD1 3.84Å; F412-F418 HydrophobicContact CB-CG 4.03Å; F412-F418 HydrophobicContact CD1-CB 4.13Å; F412-F418 HydrophobicContact CD1-CG 4.39Å; F412-F418 HydrophobicContact CD2-CB 4.05Å; F412-F418 AromaticContact CD2-CD1 3.51Å; F412-F418 HydrophobicContact CD2-CD1 3.51Å; F412-F418 AromaticContact CD2-CD2 3.59Å; F412-F418 HydrophobicContact CD2-CD2 3.59Å; F412-F418 AromaticContact CD2-CE1 3.76Å; F412-F418 HydrophobicContact CD2-CE1 3.76Å; F412-F418 AromaticContact CD2-CE2 3.83Å; F412-F418 HydrophobicContact CD2-CE2 3.83Å; F412-F418 AromaticContact CD2-CG 3.43Å; F412-F418 HydrophobicContact CD2-CG 3.43Å; F412-F418 VanDerWaalsContact CD2-CG 3.43Å; F412-F418 AromaticContact CD2-CZ 3.91Å; F412-F418 HydrophobicContact CD2-CZ 3.91Å; F412-F418 HydrophobicContact CE2-CD1 4.33Å; F412-F418 AromaticContact CE2-CD2 3.59Å; F412-F418 HydrophobicContact CE2-CD2 3.59Å; F412-F418 HydrophobicContact CE2-CE1 4.42Å; F412-F418 AromaticContact CE2-CE2 3.68Å; F412-F418 HydrophobicContact CE2-CE2 3.68Å; F412-F418 AromaticContact CE2-CG 3.94Å; F412-F418 HydrophobicContact CE2-CG 3.94Å; F412-F418 HydrophobicContact CE2-CZ 4.11Å; F412-F418 HydrophobicContact CG-CB 3.78Å; F412-F418 AromaticContact CG-CD1 3.87Å; F412-F418 HydrophobicContact CG-CD1 3.87Å; F412-F418 HydrophobicContact CG-CD2 4.2Å; F412-F418 AromaticContact CG-CG 3.69Å; F412-F418 HydrophobicContact CG-CG 3.69Å; F412-F418 HydrophobicContact CZ-CD2 4.21Å |
| 413 | S | 92.3 | Very high | 88.1 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 34% | 0.336 | 33% | 0.329 | S | S | . | . | trans | -69.6 | 157.4 | 178.9 | 75.4 | 0 | 0 | 0 | 0 | 112.8 | S415 S416 F419 | S413-S415 PolarHBondContact O-N 2.65Å; S413-S416 WeakPolarHBondContact O-CB 3.43Å; S413-S416 PolarHBondContact O-N 3.41Å; S413-S416 PolarHBondContact O-OG 2.61Å; S413-S416 PolarHBondContact OG-N 3Å; S413-F419 WeakPolarHBondContact O-CB 3.49Å | ||
| 414 | R | 90.9 | Very high | 87.9 | Confident | 218 Ų | 218 | 62 Ų | 62 | 82% | 0.823 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -17.7 | 177.5 | -76.3 | -174.5 | 177.2 | 138.1 | -1.1 | 114.8 | F419 | R414-F419 HydrophobicContact CB-CD1 4.46Å; R414-F419 HydrophobicContact CG-CD2 4.34Å; R414-F419 HydrophobicContact CG-CE2 4.17Å; R414-F419 HydrophobicContact CG-CZ 4.3Å; R414-F419 WeakPolarHBondContact O-CD1 3.44Å |
| 415 | S | 92.3 | Very high | 88 | Confident | 59 Ų | 59 | 61.1 Ų | 61.1 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 5.6 | 172.5 | 49.5 | 0 | 0 | 0 | 0 | 113.3 | K368 V369 S413 | K368-S415 CarbonylContact C-O 3.59Å; K368-S415 WeakPolarHBondContact CA-O 3.49Å; V369-S415 PolarHBondContact N-O 3.27Å; S413-S415 PolarHBondContact O-N 2.65Å |
| 416 | S | 95.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -72.6 | 153.5 | 177.6 | 67.9 | 0 | 0 | 0 | 0 | 112.9 | V365 C367 S413 F418 F419 L420 | V365-S416 WeakPolarHBondContact O-CB 3.28Å; C367-S416 CarbonylContact O-C 3.59Å; C367-S416 VanDerWaalsContact O-CA 3.3Å; C367-S416 WeakPolarHBondContact O-CA 3.5Å; S413-S416 WeakPolarHBondContact O-CB 3.43Å; S413-S416 PolarHBondContact O-N 3.41Å; S413-S416 PolarHBondContact O-OG 2.61Å; S413-S416 PolarHBondContact OG-N 3Å; S416-F418 VanDerWaalsContact C-N 3.25Å; S416-F418 PolarHBondContact O-N 3.45Å; S416-F419 PolarHBondContact O-N 3.29Å; S416-F419 VanDerWaalsContact O-N 3.17Å; S416-F419 WeakPolarHBondContact OG-CB 3.12Å; S416-F419 PolarHBondContact OG-N 3.06Å; S416-L420 PolarHBondContact O-N 3.07Å |
| 417 | L | 95.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.2 | -34.3 | 171.3 | -175.6 | 60.1 | 0 | 0 | 0 | 112.1 | F333 L364 V365 C367 V369 L373 I396 L420 F421 | F333-L417 HydrophobicContact CE1-CD2 4.05Å; F333-L417 HydrophobicContact CE2-CD2 3.87Å; F333-L417 HydrophobicContact CZ-CD2 3.38Å; L364-L417 WeakPolarHBondContact O-CD2 3.41Å; V365-L417 PolarHBondContact O-N 2.98Å; C367-L417 PolarHBondContact O-N 3.42Å; V369-L417 HydrophobicContact CG1-CB 4.07Å; V369-L417 HydrophobicContact CG1-CD1 4.34Å; V369-L417 HydrophobicContact CG2-CB 4.11Å; V369-L417 HydrophobicContact CG2-CD1 4.12Å; L373-L417 HydrophobicContact CD2-CD1 3.87Å; I396-L417 HydrophobicContact CD1-CD2 3.5Å; I396-L417 HydrophobicContact CD1-CG 4.26Å; L417-L420 PolarHBondContact O-N 2.97Å; L417-F421 HydrophobicContact CD1-CD1 3.77Å; L417-F421 HydrophobicContact CD1-CD2 4.13Å; L417-F421 HydrophobicContact CD1-CE1 3.67Å; L417-F421 HydrophobicContact CD1-CE2 4.03Å; L417-F421 HydrophobicContact CD1-CG 4.01Å; L417-F421 HydrophobicContact CD1-CZ 3.82Å; L417-F421 WeakPolarHBondContact O-CB 3.47Å; L417-F421 PolarHBondContact O-N 3.19Å |
| 418 | F | 95.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -53.5 | -55.2 | 169 | -178.2 | -87.3 | 0 | 0 | 0 | 111.2 | V365 I400 L405 F412 S416 L420 F421 K422 E423 | V365-F418 HydrophobicContact CB-CB 4.06Å; V365-F418 WeakPolarHBondContact O-CB 3.38Å; V365-F418 PolarHBondContact O-N 3.17Å; I400-F418 HydrophobicContact CD1-CD2 3.8Å; I400-F418 HydrophobicContact CD1-CE2 4.3Å; I400-F418 HydrophobicContact CG1-CD2 4.13Å; I400-F418 HydrophobicContact CG1-CE2 4.39Å; I400-F418 HydrophobicContact CG2-CD2 4.37Å; I400-F418 HydrophobicContact CG2-CE2 3.81Å; L405-F418 HydrophobicContact CB-CE2 4.37Å; L405-F418 WeakPolarHBondContact O-CE2 3.13Å; L405-F418 WeakPolarHBondContact O-CZ 3.45Å; F412-F418 HydrophobicContact CB-CB 3.97Å; F412-F418 HydrophobicContact CB-CD1 3.84Å; F412-F418 HydrophobicContact CB-CG 4.03Å; F412-F418 HydrophobicContact CD1-CB 4.13Å; F412-F418 HydrophobicContact CD1-CG 4.39Å; F412-F418 HydrophobicContact CD2-CB 4.05Å; F412-F418 AromaticContact CD2-CD1 3.51Å; F412-F418 HydrophobicContact CD2-CD1 3.51Å; F412-F418 AromaticContact CD2-CD2 3.59Å; F412-F418 HydrophobicContact CD2-CD2 3.59Å; F412-F418 AromaticContact CD2-CE1 3.76Å; F412-F418 HydrophobicContact CD2-CE1 3.76Å; F412-F418 AromaticContact CD2-CE2 3.83Å; F412-F418 HydrophobicContact CD2-CE2 3.83Å; F412-F418 AromaticContact CD2-CG 3.43Å; F412-F418 HydrophobicContact CD2-CG 3.43Å; F412-F418 VanDerWaalsContact CD2-CG 3.43Å; F412-F418 AromaticContact CD2-CZ 3.91Å; F412-F418 HydrophobicContact CD2-CZ 3.91Å; F412-F418 HydrophobicContact CE2-CD1 4.33Å; F412-F418 AromaticContact CE2-CD2 3.59Å; F412-F418 HydrophobicContact CE2-CD2 3.59Å; F412-F418 HydrophobicContact CE2-CE1 4.42Å; F412-F418 AromaticContact CE2-CE2 3.68Å; F412-F418 HydrophobicContact CE2-CE2 3.68Å; F412-F418 AromaticContact CE2-CG 3.94Å; F412-F418 HydrophobicContact CE2-CG 3.94Å; F412-F418 HydrophobicContact CE2-CZ 4.11Å; F412-F418 HydrophobicContact CG-CB 3.78Å; F412-F418 AromaticContact CG-CD1 3.87Å; F412-F418 HydrophobicContact CG-CD1 3.87Å; F412-F418 HydrophobicContact CG-CD2 4.2Å; F412-F418 AromaticContact CG-CG 3.69Å; F412-F418 HydrophobicContact CG-CG 3.69Å; F412-F418 HydrophobicContact CZ-CD2 4.21Å; S416-F418 VanDerWaalsContact C-N 3.25Å; S416-F418 PolarHBondContact O-N 3.45Å; F418-L420 VanDerWaalsContact C-N 3.33Å; F418-L420 PolarHBondContact O-N 3.42Å; F418-F421 PolarHBondContact O-N 3.21Å; F418-K422 HydrophobicContact CZ-CG 4.42Å; F418-K422 WeakPolarHBondContact O-CA 3.5Å; F418-K422 VanDerWaalsContact O-CB 3.23Å; F418-K422 WeakPolarHBondContact O-CB 3.42Å; F418-K422 PolarHBondContact O-N 3.4Å; F418-E423 HydrophobicContact CD1-CG 4.09Å; F418-E423 HydrophobicContact CE1-CG 3.7Å |
| 419 | F | 93.6 | Very high | 90 | Very high | 69 Ų | 69 | 62.8 Ų | 62.8 | 30% | 0.303 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -63.8 | -40.8 | -177.9 | -173.5 | -90.4 | 0 | 0 | 0 | 111.3 | S413 R414 S416 E423 S424 | S413-F419 WeakPolarHBondContact O-CB 3.49Å; R414-F419 HydrophobicContact CB-CD1 4.46Å; R414-F419 HydrophobicContact CG-CD2 4.34Å; R414-F419 HydrophobicContact CG-CE2 4.17Å; R414-F419 HydrophobicContact CG-CZ 4.3Å; R414-F419 WeakPolarHBondContact O-CD1 3.44Å; S416-F419 PolarHBondContact O-N 3.29Å; S416-F419 VanDerWaalsContact O-N 3.17Å; S416-F419 WeakPolarHBondContact OG-CB 3.12Å; S416-F419 PolarHBondContact OG-N 3.06Å; F419-E423 HydrophobicContact CD2-CB 3.53Å; F419-E423 HydrophobicContact CD2-CG 4Å; F419-E423 HydrophobicContact CE2-CB 3.75Å; F419-E423 HydrophobicContact CE2-CG 4.49Å; F419-E423 HydrophobicContact CG-CB 4.08Å; F419-E423 HydrophobicContact CZ-CB 4.46Å; F419-E423 PolarHBondContact O-N 2.89Å; F419-E423 VanDerWaalsContact O-N 3.14Å; F419-S424 PolarHBondContact O-N 2.91Å |
| 420 | L | 93 | Very high | 91 | Very high | 16 Ų | 16 | 59.2 Ų | 59.2 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -62.2 | -50.3 | 179.4 | -164.3 | 77.1 | 0 | 0 | 0 | 112.1 | V369 L373 I374 S416 L417 F418 S424 C427 | V369-L420 HydrophobicContact CG2-CB 4.32Å; V369-L420 HydrophobicContact CG2-CD2 3.86Å; L373-L420 HydrophobicContact CB-CD2 3.88Å; L373-L420 HydrophobicContact CD2-CD2 3.98Å; L373-L420 HydrophobicContact CG-CD2 4.39Å; I374-L420 HydrophobicContact CD1-CD1 3.56Å; I374-L420 HydrophobicContact CD1-CG 4.17Å; I374-L420 HydrophobicContact CG1-CD1 3.91Å; I374-L420 HydrophobicContact CG1-CD2 4.24Å; I374-L420 HydrophobicContact CG1-CG 4.07Å; S416-L420 PolarHBondContact O-N 3.07Å; L417-L420 PolarHBondContact O-N 2.97Å; F418-L420 VanDerWaalsContact C-N 3.33Å; F418-L420 PolarHBondContact O-N 3.42Å; L420-S424 WeakPolarHBondContact O-CB 3.49Å; L420-S424 PolarHBondContact O-OG 3.44Å; L420-C427 PolarHBondContact O-SG 3.36Å |
| 421 | F | 92.1 | Very high | 91.8 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -83.4 | -37.7 | -173.2 | -80.9 | 18.8 | 0 | 0 | 0 | 113.2 | L373 F377 L392 F393 I396 L417 F418 | L373-F421 HydrophobicContact CD2-CE1 3.95Å; L373-F421 HydrophobicContact CD2-CZ 4.19Å; F377-F421 HydrophobicContact CE2-CE1 4.26Å; F377-F421 HydrophobicContact CE2-CZ 4.45Å; F377-F421 HydrophobicContact CZ-CZ 4.33Å; L392-F421 HydrophobicContact CD2-CE2 3.67Å; L392-F421 HydrophobicContact CD2-CZ 3.99Å; F393-F421 HydrophobicContact CB-CD2 4.35Å; F393-F421 HydrophobicContact CB-CE2 3.99Å; F393-F421 HydrophobicContact CD2-CB 4.18Å; F393-F421 HydrophobicContact CD2-CD1 4.33Å; F393-F421 AromaticContact CD2-CD2 3.52Å; F393-F421 HydrophobicContact CD2-CD2 3.52Å; F393-F421 AromaticContact CD2-CE2 3.87Å; F393-F421 HydrophobicContact CD2-CE2 3.87Å; F393-F421 AromaticContact CD2-CG 3.77Å; F393-F421 HydrophobicContact CD2-CG 3.77Å; F393-F421 HydrophobicContact CD2-CZ 4.4Å; F393-F421 HydrophobicContact CE2-CB 4.01Å; F393-F421 HydrophobicContact CE2-CD2 4.21Å; F393-F421 HydrophobicContact CE2-CG 4.09Å; F393-F421 HydrophobicContact CG-CD2 4.29Å; F393-F421 HydrophobicContact CG-CE2 4.39Å; I396-F421 HydrophobicContact CB-CD2 4.35Å; I396-F421 HydrophobicContact CD1-CE2 4.36Å; I396-F421 HydrophobicContact CG2-CD2 4.11Å; L417-F421 HydrophobicContact CD1-CD1 3.77Å; L417-F421 HydrophobicContact CD1-CD2 4.13Å; L417-F421 HydrophobicContact CD1-CE1 3.67Å; L417-F421 HydrophobicContact CD1-CE2 4.03Å; L417-F421 HydrophobicContact CD1-CG 4.01Å; L417-F421 HydrophobicContact CD1-CZ 3.82Å; L417-F421 WeakPolarHBondContact O-CB 3.47Å; L417-F421 PolarHBondContact O-N 3.19Å; F418-F421 PolarHBondContact O-N 3.21Å |
| 422 | K | 88.8 | Confident | 92.3 | Very high | 60 Ų | 60 | 50.6 Ų | 50.6 | 26% | 0.261 | 25% | 0.248 | S | C | . | . | I | π-helix | trans | -95.8 | -49.8 | -174.3 | -165.1 | 57.4 | 165.3 | -178.5 | 0 | 113.5 | N397 I400 F418 | N397-K422 PolarHBondContact OD1-NZ 3.24Å; I400-K422 HydrophobicContact CG2-CG 4.44Å; F418-K422 HydrophobicContact CZ-CG 4.42Å; F418-K422 WeakPolarHBondContact O-CA 3.5Å; F418-K422 VanDerWaalsContact O-CB 3.23Å; F418-K422 WeakPolarHBondContact O-CB 3.42Å; F418-K422 PolarHBondContact O-N 3.4Å |
| 423 | E | 85.7 | Confident | 92.4 | Very high | 46 Ų | 46 | 53 Ų | 53 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -91.3 | -32.7 | -166.5 | -63.3 | -67.5 | -175.8 | 0 | 0 | 114.3 | R409 F418 F419 G425 | R409-E423 WeakPolarHBondContact CG-OE1 3.15Å; R409-E423 IonicContact CZ-OE1 3.49Å; R409-E423 IonicContact CZ-OE2 3.26Å; R409-E423 VanDerWaalsContact CZ-OE2 3.26Å; R409-E423 IonicContact NE-OE1 2.73Å; R409-E423 PolarHBondContact NE-OE1 3.14Å; R409-E423 IonicContact NE-OE2 3.19Å; R409-E423 PolarHBondContact NE-OE2 3.39Å; R409-E423 IonicContact NH2-OE1 3.39Å; R409-E423 PolarHBondContact NH2-OE1 3.42Å; R409-E423 IonicContact NH2-OE2 2.67Å; R409-E423 PolarHBondContact NH2-OE2 2.86Å; F418-E423 HydrophobicContact CD1-CG 4.09Å; F418-E423 HydrophobicContact CE1-CG 3.7Å; F419-E423 HydrophobicContact CD2-CB 3.53Å; F419-E423 HydrophobicContact CD2-CG 4Å; F419-E423 HydrophobicContact CE2-CB 3.75Å; F419-E423 HydrophobicContact CE2-CG 4.49Å; F419-E423 HydrophobicContact CG-CB 4.08Å; F419-E423 HydrophobicContact CZ-CB 4.46Å; F419-E423 PolarHBondContact O-N 2.89Å; F419-E423 VanDerWaalsContact O-N 3.14Å; E423-G425 PolarHBondContact O-N 3.36Å |
| 424 | S | 85.9 | Confident | 92.6 | Very high | 35 Ų | 35 | 50.9 Ų | 50.9 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -62.6 | -28.6 | -177.3 | 79.3 | 0 | 0 | 0 | 0 | 113.3 | F419 L420 V426 | F419-S424 PolarHBondContact O-N 2.91Å; L420-S424 WeakPolarHBondContact O-CB 3.49Å; L420-S424 PolarHBondContact O-OG 3.44Å; S424-V426 PolarHBondContact O-N 3.42Å; S424-V426 PolarHBondContact OG-N 3.05Å |
| 425 | G | 87.2 | Confident | 92.7 | Very high | 25 Ų | 25 | 41.7 Ų | 41.7 | 26% | 0.258 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 62.7 | -4.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E423 V428 K429 | E423-G425 PolarHBondContact O-N 3.36Å; G425-V428 PolarHBondContact O-N 3.16Å; G425-K429 WeakPolarHBondContact O-CG 3.39Å; G425-K429 PolarHBondContact O-N 2.88Å |
| 426 | V | 91.6 | Very high | 92.6 | Very high | 57 Ų | 57 | 45.2 Ų | 45.2 | 35% | 0.345 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -75.3 | -40.4 | -173.9 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | I374 S424 V428 K429 K430 | I374-V426 HydrophobicContact CD1-CB 4Å; I374-V426 HydrophobicContact CD1-CG1 3.91Å; I374-V426 HydrophobicContact CG2-CG1 3.82Å; S424-V426 PolarHBondContact O-N 3.42Å; S424-V426 PolarHBondContact OG-N 3.05Å; V426-V428 VanDerWaalsContact C-N 3.31Å; V426-V428 PolarHBondContact O-N 2.64Å; V426-K429 PolarHBondContact O-N 3.31Å; V426-K430 HydrophobicContact CG1-CG 4.49Å; V426-K430 WeakPolarHBondContact O-CG 3.45Å; V426-K430 PolarHBondContact O-N 2.93Å |
| 427 | C | 92.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.1 | -47.1 | 172 | -67.2 | 0 | 0 | 0 | 0 | 111.1 | F377 F393 L420 K429 K430 I431 | F377-C427 HydrophobicContact CE2-CB 4.39Å; F393-C427 HydrophobicContact CD2-CB 4.24Å; F393-C427 HydrophobicContact CE2-CB 3.69Å; L420-C427 PolarHBondContact O-SG 3.36Å; C427-K429 VanDerWaalsContact C-N 3.35Å; C427-K429 PolarHBondContact O-N 3.37Å; C427-K430 PolarHBondContact O-N 3.4Å; C427-I431 WeakPolarHBondContact O-CB 3.45Å; C427-I431 VanDerWaalsContact O-CG1 3.23Å; C427-I431 WeakPolarHBondContact O-CG1 3.21Å; C427-I431 PolarHBondContact O-N 3.32Å |
| 428 | V | 93.4 | Very high | 92.5 | Very high | 32 Ų | 32 | 53.8 Ų | 53.8 | 19% | 0.194 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61 | -41.4 | 178.1 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | F393 G425 V426 I431 K432 L453 | F393-V428 HydrophobicContact CZ-CG2 4.43Å; G425-V428 PolarHBondContact O-N 3.16Å; V426-V428 VanDerWaalsContact C-N 3.31Å; V426-V428 PolarHBondContact O-N 2.64Å; V428-I431 PolarHBondContact O-N 3.34Å; V428-K432 HydrophobicContact CG1-CD 4.36Å; V428-K432 WeakPolarHBondContact O-CB 3.23Å; V428-K432 WeakPolarHBondContact O-CG 3.5Å; V428-K432 PolarHBondContact O-N 3.33Å; V428-L453 HydrophobicContact CG1-CD1 4.13Å; V428-L453 HydrophobicContact CG2-CD1 3.99Å; V428-L453 HydrophobicContact CG2-CD2 4.23Å |
| 429 | K | 94.2 | Very high | 92.6 | Very high | 155 Ų | 155 | 55.9 Ų | 55.9 | 67% | 0.674 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.7 | -42.3 | 175.1 | -70.2 | 171.7 | -177.6 | 176.1 | 0 | 112 | G425 V426 C427 K432 A433 | G425-K429 WeakPolarHBondContact O-CG 3.39Å; G425-K429 PolarHBondContact O-N 2.88Å; V426-K429 PolarHBondContact O-N 3.31Å; C427-K429 VanDerWaalsContact C-N 3.35Å; C427-K429 PolarHBondContact O-N 3.37Å; K429-K432 PolarHBondContact O-N 2.94Å; K429-A433 PolarHBondContact O-N 3.49Å |
| 430 | K | 95.4 | Very high | 92.7 | Very high | 84 Ų | 84 | 57.7 Ų | 57.7 | 37% | 0.365 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 176.7 | -70.6 | -86 | -174.7 | 169.4 | 0 | 112.2 | I374 F377 V426 C427 K432 A433 L434 | I374-K430 HydrophobicContact CG2-CD 4.43Å; I374-K430 HydrophobicContact CG2-CG 3.94Å; F377-K430 HydrophobicContact CB-CB 3.61Å; F377-K430 HydrophobicContact CB-CG 4.45Å; F377-K430 HydrophobicContact CG-CB 4.46Å; V426-K430 HydrophobicContact CG1-CG 4.49Å; V426-K430 WeakPolarHBondContact O-CG 3.45Å; V426-K430 PolarHBondContact O-N 2.93Å; C427-K430 PolarHBondContact O-N 3.4Å; K430-K432 VanDerWaalsContact C-N 3.32Å; K430-K432 PolarHBondContact O-N 2.88Å; K430-A433 WeakPolarHBondContact O-CB 3.22Å; K430-A433 PolarHBondContact O-N 2.95Å; K430-A433 VanDerWaalsContact O-N 3.08Å; K430-L434 PolarHBondContact O-N 3.48Å |
| 431 | I | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 175.4 | -65.6 | 164.1 | 0 | 0 | 0 | 110.6 | F377 L390 F393 C427 V428 A433 L434 V446 V449 L450 | F377-I431 HydrophobicContact CD1-CD1 4.18Å; F377-I431 HydrophobicContact CD1-CG1 3.59Å; F377-I431 HydrophobicContact CE1-CD1 3.84Å; F377-I431 HydrophobicContact CE1-CG1 3.78Å; F377-I431 HydrophobicContact CG-CG1 4.31Å; F377-I431 HydrophobicContact CZ-CD1 4.37Å; L390-I431 HydrophobicContact CD2-CD1 4.44Å; L390-I431 HydrophobicContact CD2-CG1 3.96Å; L390-I431 HydrophobicContact CD2-CG2 4.03Å; F393-I431 HydrophobicContact CD1-CD1 3.57Å; F393-I431 HydrophobicContact CD2-CD1 3.96Å; F393-I431 HydrophobicContact CE1-CD1 3.54Å; F393-I431 HydrophobicContact CE2-CD1 3.92Å; F393-I431 HydrophobicContact CG-CD1 3.8Å; F393-I431 HydrophobicContact CZ-CD1 3.71Å; C427-I431 WeakPolarHBondContact O-CB 3.45Å; C427-I431 VanDerWaalsContact O-CG1 3.23Å; C427-I431 WeakPolarHBondContact O-CG1 3.21Å; C427-I431 PolarHBondContact O-N 3.32Å; V428-I431 PolarHBondContact O-N 3.34Å; I431-A433 VanDerWaalsContact C-N 3.31Å; I431-A433 PolarHBondContact O-N 3.49Å; I431-L434 WeakPolarHBondContact O-CB 3.21Å; I431-L434 PolarHBondContact O-N 3.03Å; I431-L434 VanDerWaalsContact O-N 3.1Å; I431-V446 HydrophobicContact CG2-CG1 4.06Å; I431-V446 VanDerWaalsContact O-CG1 3.23Å; I431-V446 WeakPolarHBondContact O-CG1 3.09Å; I431-V449 HydrophobicContact CD1-CG1 4.39Å; I431-V449 HydrophobicContact CG2-CG1 4.21Å; I431-L450 HydrophobicContact CG2-CD2 3.87Å; I431-L450 HydrophobicContact CG2-CG 4.09Å |
| 432 | K | 95.6 | Very high | 93.1 | Very high | 131 Ų | 131 | 59.8 Ų | 59.8 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59.4 | -38.1 | 172.9 | -74.8 | 179.3 | 179.6 | -178.3 | 0 | 112.8 | V428 K429 K430 L434 A435 L450 | V428-K432 HydrophobicContact CG1-CD 4.36Å; V428-K432 WeakPolarHBondContact O-CB 3.23Å; V428-K432 WeakPolarHBondContact O-CG 3.5Å; V428-K432 PolarHBondContact O-N 3.33Å; K429-K432 PolarHBondContact O-N 2.94Å; K430-K432 VanDerWaalsContact C-N 3.32Å; K430-K432 PolarHBondContact O-N 2.88Å; K432-L434 VanDerWaalsContact C-N 3.3Å; K432-L434 PolarHBondContact O-N 2.88Å; K432-A435 WeakPolarHBondContact O-CB 3.4Å; K432-A435 PolarHBondContact O-N 2.77Å; K432-L450 HydrophobicContact CD-CD2 4.41Å; K432-L450 HydrophobicContact CG-CD1 4.13Å; K432-L450 HydrophobicContact CG-CD2 3.47Å; K432-L450 VanDerWaalsContact CG-CD2 3.47Å; K432-L450 HydrophobicContact CG-CG 4.48Å |
| 433 | A | 94.8 | Very high | 93.5 | Very high | 71 Ų | 71 | 60.2 Ų | 60.2 | 59% | 0.587 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.8 | -28.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K429 K430 I431 A435 | K429-A433 PolarHBondContact O-N 3.49Å; K430-A433 WeakPolarHBondContact O-CB 3.22Å; K430-A433 PolarHBondContact O-N 2.95Å; K430-A433 VanDerWaalsContact O-N 3.08Å; I431-A433 VanDerWaalsContact C-N 3.31Å; I431-A433 PolarHBondContact O-N 3.49Å; A433-A435 PolarHBondContact O-N 3.08Å |
| 434 | L | 95.9 | Very high | 94 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -72.1 | -10.4 | 175.9 | -65.6 | 173.2 | 0 | 0 | 0 | 113.8 | F377 K379 L386 L390 K430 I431 K432 N436 H437 V446 | F377-L434 HydrophobicContact CB-CD1 4.19Å; F377-L434 HydrophobicContact CD1-CD1 4.37Å; K379-L434 HydrophobicContact CB-CD2 4.13Å; L386-L434 HydrophobicContact CD2-CD1 3.88Å; L386-L434 HydrophobicContact CD2-CD2 4Å; L390-L434 HydrophobicContact CD2-CD1 4.45Å; K430-L434 PolarHBondContact O-N 3.48Å; I431-L434 WeakPolarHBondContact O-CB 3.21Å; I431-L434 PolarHBondContact O-N 3.03Å; I431-L434 VanDerWaalsContact O-N 3.1Å; K432-L434 VanDerWaalsContact C-N 3.3Å; K432-L434 PolarHBondContact O-N 2.88Å; L434-N436 PolarHBondContact O-N 3.2Å; L434-N436 VanDerWaalsContact O-N 3.13Å; L434-H437 WeakPolarHBondContact O-CB 3.41Å; L434-H437 PolarHBondContact O-N 3.1Å; L434-V446 HydrophobicContact CB-CG1 4.47Å; L434-V446 HydrophobicContact CB-CG2 3.64Å |
| 435 | A | 93.2 | Very high | 94.5 | Very high | 26 Ų | 26 | 61.2 Ų | 61.2 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -62.1 | -22.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K432 A433 V446 | K432-A435 WeakPolarHBondContact O-CB 3.4Å; K432-A435 PolarHBondContact O-N 2.77Å; A433-A435 PolarHBondContact O-N 3.08Å; A435-V446 HydrophobicContact CB-CG1 4Å |
| 436 | N | 90.1 | Very high | 95 | Very high | 132 Ų | 132 | 60 Ų | 60 | 71% | 0.706 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -93.3 | 3.3 | 176.4 | -68.9 | -28.4 | 0 | 0 | 0 | 113.9 | L434 | L434-N436 PolarHBondContact O-N 3.2Å; L434-N436 VanDerWaalsContact O-N 3.13Å |
| 437 | H | 95.3 | Very high | 95.2 | Very high | 26 Ų | 26 | 60.7 Ų | 60.7 | 12% | 0.12 | 32% | 0.32 | C | S | . | . | trans | -58.9 | 141.5 | -178 | -179.2 | -96.1 | 0 | 0 | 0 | 113.1 | L434 D439 V442 K443 | L434-H437 WeakPolarHBondContact O-CB 3.41Å; L434-H437 PolarHBondContact O-N 3.1Å; H437-D439 VanDerWaalsContact CE1-CB 3.5Å; H437-D439 WeakPolarHBondContact CE1-CB 3.23Å; H437-D439 PolarHBondContact ND1-N 3.24Å; H437-D439 VanDerWaalsContact ND1-N 3.18Å; H437-D439 PolarHBondContact O-N 3.17Å; H437-V442 HydrophobicContact CB-CG1 4.01Å; H437-V442 WeakPolarHBondContact ND1-CB 3.3Å; H437-K443 WeakPolarHBondContact O-CE 3.11Å; H437-K443 WeakPolarHBondContact O-CG 3.49Å | ||
| 438 | N | 93.4 | Very high | 95.4 | Very high | 154 Ų | 154 | 65.8 Ų | 65.8 | 82% | 0.824 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -63.5 | -35.6 | -170.2 | -69.1 | -19.6 | 0 | 0 | 0 | 114.3 | ||
| 439 | D | 96.4 | Very high | 95.4 | Very high | 46 Ų | 46 | 64.4 Ų | 64.4 | 25% | 0.246 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -73.2 | 125.6 | 177 | -178.3 | -89.7 | 0 | 0 | 0 | 112.2 | R383 H437 V441 V442 K443 | R383-D439 WeakPolarHBondContact CD-OD2 3.46Å; R383-D439 IonicContact NE-OD1 3.22Å; R383-D439 IonicContact NE-OD2 2.7Å; H437-D439 VanDerWaalsContact CE1-CB 3.5Å; H437-D439 WeakPolarHBondContact CE1-CB 3.23Å; H437-D439 PolarHBondContact ND1-N 3.24Å; H437-D439 VanDerWaalsContact ND1-N 3.18Å; H437-D439 PolarHBondContact O-N 3.17Å; D439-V441 VanDerWaalsContact C-N 3.34Å; D439-V441 PolarHBondContact O-N 3.37Å; D439-V441 WeakPolarHBondContact OD1-CA 3.42Å; D439-V441 VanDerWaalsContact OD1-CB 3.29Å; D439-V441 WeakPolarHBondContact OD1-CB 3.49Å; D439-V441 PolarHBondContact OD1-N 3.04Å; D439-V442 HydrophobicContact CB-CB 4.3Å; D439-V442 HydrophobicContact CB-CG2 4.05Å; D439-V442 PolarHBondContact O-N 3.34Å; D439-V442 PolarHBondContact OD1-N 2.61Å; D439-K443 PolarHBondContact O-N 2.67Å |
| 440 | L | 95.4 | Very high | 95.4 | Very high | 107 Ų | 107 | 58.9 Ų | 58.9 | 56% | 0.56 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.3 | -31.7 | -177.9 | -66.3 | 177 | 0 | 0 | 0 | 113.7 | K443 V444 | L440-K443 HydrophobicContact CD2-CD 4.47Å; L440-K443 PolarHBondContact O-N 3.2Å; L440-V444 WeakPolarHBondContact O-CG2 3.38Å; L440-V444 PolarHBondContact O-N 3.02Å |
| 441 | V | 97.2 | Very high | 95.3 | Very high | 66 Ų | 66 | 60.3 Ų | 60.3 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -72.9 | -38.7 | -179.6 | -170.7 | 0 | 0 | 0 | 0 | 109.9 | L387 D439 V444 K445 | L387-V441 HydrophobicContact CD1-CG1 3.95Å; L387-V441 HydrophobicContact CD2-CG1 4.22Å; D439-V441 VanDerWaalsContact C-N 3.34Å; D439-V441 PolarHBondContact O-N 3.37Å; D439-V441 WeakPolarHBondContact OD1-CA 3.42Å; D439-V441 VanDerWaalsContact OD1-CB 3.29Å; D439-V441 WeakPolarHBondContact OD1-CB 3.49Å; D439-V441 PolarHBondContact OD1-N 3.04Å; V441-V444 PolarHBondContact O-N 3.5Å; V441-K445 WeakPolarHBondContact O-CB 3.4Å; V441-K445 PolarHBondContact O-N 2.67Å |
| 442 | V | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 168.3 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | R383 L386 L387 L390 H437 D439 V444 K445 V446 | R383-V442 HydrophobicContact CG-CG2 4.16Å; L386-V442 HydrophobicContact CB-CG1 4.39Å; L386-V442 HydrophobicContact CB-CG2 4.19Å; L386-V442 HydrophobicContact CD1-CG1 4.31Å; L386-V442 HydrophobicContact CD1-CG2 4.48Å; L387-V442 HydrophobicContact CD2-CG2 4.24Å; L387-V442 HydrophobicContact CG-CG2 4.23Å; L390-V442 HydrophobicContact CD1-CG1 4.31Å; H437-V442 HydrophobicContact CB-CG1 4.01Å; H437-V442 WeakPolarHBondContact ND1-CB 3.3Å; D439-V442 HydrophobicContact CB-CB 4.3Å; D439-V442 HydrophobicContact CB-CG2 4.05Å; D439-V442 PolarHBondContact O-N 3.34Å; D439-V442 PolarHBondContact OD1-N 2.61Å; V442-V444 PolarHBondContact O-N 3.19Å; V442-K445 PolarHBondContact O-N 3.39Å; V442-V446 HydrophobicContact CG1-CG2 4.15Å; V442-V446 WeakPolarHBondContact O-CB 3.35Å; V442-V446 VanDerWaalsContact O-CG2 3.27Å; V442-V446 WeakPolarHBondContact O-CG2 3.42Å; V442-V446 PolarHBondContact O-N 2.73Å |
| 443 | K | 96.1 | Very high | 94.5 | Very high | 68 Ų | 68 | 62 Ų | 62 | 30% | 0.296 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.5 | -48.4 | 175.9 | -66.7 | -163.6 | -175.6 | -172 | 0 | 112.4 | H437 D439 L440 V446 L447 | H437-K443 WeakPolarHBondContact O-CE 3.11Å; H437-K443 WeakPolarHBondContact O-CG 3.49Å; D439-K443 PolarHBondContact O-N 2.67Å; L440-K443 HydrophobicContact CD2-CD 4.47Å; L440-K443 PolarHBondContact O-N 3.2Å; K443-V446 PolarHBondContact O-N 3.39Å; K443-L447 WeakPolarHBondContact O-CG 3.46Å; K443-L447 PolarHBondContact O-N 2.89Å |
| 444 | V | 96.7 | Very high | 94.4 | Very high | 73 Ų | 73 | 61.5 Ų | 61.5 | 44% | 0.442 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | -179.6 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | L440 V441 V442 L447 K448 | L440-V444 WeakPolarHBondContact O-CG2 3.38Å; L440-V444 PolarHBondContact O-N 3.02Å; V441-V444 PolarHBondContact O-N 3.5Å; V442-V444 PolarHBondContact O-N 3.19Å; V444-L447 PolarHBondContact O-N 3.1Å; V444-K448 WeakPolarHBondContact O-CB 3.38Å; V444-K448 PolarHBondContact O-N 2.96Å |
| 445 | K | 97.4 | Very high | 94.4 | Very high | 30 Ų | 30 | 64.6 Ų | 64.6 | 13% | 0.13 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 174.9 | 179.3 | 65 | 171.6 | -171.8 | 0 | 111.8 | L387 L390 T391 E394 V441 V442 K448 V449 | L387-K445 HydrophobicContact CD2-CB 3.6Å; L387-K445 HydrophobicContact CD2-CG 3.87Å; L390-K445 VanDerWaalsContact C-CE 3.5Å; L390-K445 HydrophobicContact CB-CD 4.43Å; L390-K445 HydrophobicContact CB-CG 3.72Å; L390-K445 HydrophobicContact CD1-CB 4.4Å; L390-K445 HydrophobicContact CD1-CG 3.9Å; L390-K445 HydrophobicContact CG-CG 4.44Å; L390-K445 WeakPolarHBondContact O-CE 3.49Å; T391-K445 WeakPolarHBondContact OG1-CE 3.3Å; T391-K445 PolarHBondContact OG1-NZ 2.92Å; E394-K445 IonicContact OE2-NZ 3.29Å; E394-K445 PolarHBondContact OE2-NZ 3.39Å; V441-K445 WeakPolarHBondContact O-CB 3.4Å; V441-K445 PolarHBondContact O-N 2.67Å; V442-K445 PolarHBondContact O-N 3.39Å; K445-K448 PolarHBondContact O-N 2.88Å; K445-V449 HydrophobicContact CD-CG2 4.47Å; K445-V449 WeakPolarHBondContact O-CG2 3.49Å; K445-V449 PolarHBondContact O-N 3.2Å |
| 446 | V | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 176 | 169.2 | 0 | 0 | 0 | 0 | 111 | L390 I431 L434 A435 V442 K443 K448 V449 L450 | L390-V446 HydrophobicContact CD1-CG2 3.55Å; L390-V446 HydrophobicContact CD2-CG2 4.15Å; I431-V446 HydrophobicContact CG2-CG1 4.06Å; I431-V446 VanDerWaalsContact O-CG1 3.23Å; I431-V446 WeakPolarHBondContact O-CG1 3.09Å; L434-V446 HydrophobicContact CB-CG1 4.47Å; L434-V446 HydrophobicContact CB-CG2 3.64Å; A435-V446 HydrophobicContact CB-CG1 4Å; V442-V446 HydrophobicContact CG1-CG2 4.15Å; V442-V446 WeakPolarHBondContact O-CB 3.35Å; V442-V446 VanDerWaalsContact O-CG2 3.27Å; V442-V446 WeakPolarHBondContact O-CG2 3.42Å; V442-V446 PolarHBondContact O-N 2.73Å; K443-V446 PolarHBondContact O-N 3.39Å; V446-K448 VanDerWaalsContact C-N 3.35Å; V446-K448 PolarHBondContact O-N 3.46Å; V446-V449 PolarHBondContact O-N 2.9Å; V446-L450 HydrophobicContact CG1-CD1 3.7Å; V446-L450 HydrophobicContact CG1-CG 4.2Å; V446-L450 WeakPolarHBondContact O-CB 3.33Å; V446-L450 VanDerWaalsContact O-CG 3.28Å; V446-L450 WeakPolarHBondContact O-CG 3.23Å; V446-L450 PolarHBondContact O-N 3.4Å |
| 447 | L | 95.9 | Very high | 94.7 | Very high | 71 Ų | 71 | 62.9 Ų | 62.9 | 37% | 0.372 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 179.1 | -70.7 | 171.4 | 0 | 0 | 0 | 111.8 | K443 V444 V449 L450 T451 | K443-L447 WeakPolarHBondContact O-CG 3.46Å; K443-L447 PolarHBondContact O-N 2.89Å; V444-L447 PolarHBondContact O-N 3.1Å; L447-V449 PolarHBondContact O-N 2.66Å; L447-L450 PolarHBondContact O-N 3.27Å; L447-T451 PolarHBondContact O-N 2.94Å; L447-T451 PolarHBondContact O-OG1 2.7Å |
| 448 | K | 95.7 | Very high | 94.6 | Very high | 106 Ų | 106 | 65.2 Ų | 65.2 | 46% | 0.461 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 174.8 | -171.2 | -157.9 | -180 | -152.9 | 0 | 112.1 | E394 V444 K445 V446 T451 | E394-K448 WeakPolarHBondContact OE1-CE 3.29Å; E394-K448 IonicContact OE1-NZ 2.65Å; E394-K448 PolarHBondContact OE1-NZ 3.48Å; E394-K448 IonicContact OE2-NZ 3.23Å; E394-K448 PolarHBondContact OE2-NZ 3.44Å; V444-K448 WeakPolarHBondContact O-CB 3.38Å; V444-K448 PolarHBondContact O-N 2.96Å; K445-K448 PolarHBondContact O-N 2.88Å; V446-K448 VanDerWaalsContact C-N 3.35Å; V446-K448 PolarHBondContact O-N 3.46Å; K448-T451 WeakPolarHBondContact CA-OG1 3.43Å; K448-T451 PolarHBondContact O-N 3.28Å; K448-T451 PolarHBondContact O-OG1 3.2Å |
| 449 | V | 95.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 177 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | F393 E394 I431 K445 V446 L447 T451 K452 L453 | F393-V449 HydrophobicContact CD1-CG1 3.69Å; F393-V449 HydrophobicContact CE1-CG1 3.77Å; E394-V449 HydrophobicContact CB-CG2 4.01Å; E394-V449 HydrophobicContact CG-CG2 4.17Å; I431-V449 HydrophobicContact CD1-CG1 4.39Å; I431-V449 HydrophobicContact CG2-CG1 4.21Å; K445-V449 HydrophobicContact CD-CG2 4.47Å; K445-V449 WeakPolarHBondContact O-CG2 3.49Å; K445-V449 PolarHBondContact O-N 3.2Å; V446-V449 PolarHBondContact O-N 2.9Å; L447-V449 PolarHBondContact O-N 2.66Å; V449-T451 VanDerWaalsContact C-N 3.35Å; V449-T451 PolarHBondContact O-N 3.25Å; V449-K452 PolarHBondContact O-N 3.16Å; V449-K452 VanDerWaalsContact O-N 3.1Å; V449-L453 HydrophobicContact CG1-CD1 4.18Å |
| 450 | L | 94.3 | Very high | 94.6 | Very high | 40 Ų | 40 | 60.2 Ų | 60.2 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.9 | -31.5 | 178 | -68.9 | 174.4 | 0 | 0 | 0 | 113.2 | I431 K432 V446 L447 K452 L453 | I431-L450 HydrophobicContact CG2-CD2 3.87Å; I431-L450 HydrophobicContact CG2-CG 4.09Å; K432-L450 HydrophobicContact CD-CD2 4.41Å; K432-L450 HydrophobicContact CG-CD1 4.13Å; K432-L450 HydrophobicContact CG-CD2 3.47Å; K432-L450 VanDerWaalsContact CG-CD2 3.47Å; K432-L450 HydrophobicContact CG-CG 4.48Å; V446-L450 HydrophobicContact CG1-CD1 3.7Å; V446-L450 HydrophobicContact CG1-CG 4.2Å; V446-L450 WeakPolarHBondContact O-CB 3.33Å; V446-L450 VanDerWaalsContact O-CG 3.28Å; V446-L450 WeakPolarHBondContact O-CG 3.23Å; V446-L450 PolarHBondContact O-N 3.4Å; L447-L450 PolarHBondContact O-N 3.27Å; L450-K452 PolarHBondContact O-N 2.93Å; L450-L453 HydrophobicContact CD2-CD1 4.22Å |
| 451 | T | 93.1 | Very high | 94.6 | Very high | 114 Ų | 114 | 56.6 Ų | 56.6 | 70% | 0.699 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -9.4 | 172.6 | 47 | 0 | 0 | 0 | 0 | 114.2 | L447 K448 V449 | L447-T451 PolarHBondContact O-N 2.94Å; L447-T451 PolarHBondContact O-OG1 2.7Å; K448-T451 WeakPolarHBondContact CA-OG1 3.43Å; K448-T451 PolarHBondContact O-N 3.28Å; K448-T451 PolarHBondContact O-OG1 3.2Å; V449-T451 VanDerWaalsContact C-N 3.35Å; V449-T451 PolarHBondContact O-N 3.25Å |
| 452 | K | 88 | Confident | 94.3 | Very high | 74 Ų | 74 | 55.8 Ų | 55.8 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -5.5 | 178.2 | -79.9 | -176.4 | 160.4 | -171.8 | 0 | 114.5 | E394 D398 K401 V449 L450 | E394-K452 HydrophobicContact CG-CD 4.06Å; E394-K452 WeakPolarHBondContact OE1-CE 3.33Å; E394-K452 IonicContact OE1-NZ 3.9Å; E394-K452 PolarHBondContact OE1-NZ 2.6Å; D398-K452 IonicContact OD2-NZ 2.65Å; D398-K452 PolarHBondContact OD2-NZ 3.14Å; K401-K452 PolarHBondContact NZ-O 3.25Å; V449-K452 PolarHBondContact O-N 3.16Å; V449-K452 VanDerWaalsContact O-N 3.1Å; L450-K452 PolarHBondContact O-N 2.93Å |
| 453 | L | 85.4 | Confident | 94.1 | Very high | 91 Ų | 91 | 60.9 Ų | 60.9 | 48% | 0.476 | 31% | 0.311 | S | S | . | . | trans | -92.6 | 0 | -171.6 | -81.4 | 168.4 | 0 | 0 | 0 | 112.9 | F393 V428 V449 L450 | F393-L453 HydrophobicContact CE1-CD1 3.93Å; F393-L453 HydrophobicContact CE1-CD2 3.88Å; F393-L453 HydrophobicContact CE1-CG 4.26Å; F393-L453 HydrophobicContact CZ-CD1 4.24Å; F393-L453 HydrophobicContact CZ-CD2 3.89Å; V428-L453 HydrophobicContact CG1-CD1 4.13Å; V428-L453 HydrophobicContact CG2-CD1 3.99Å; V428-L453 HydrophobicContact CG2-CD2 4.23Å; V449-L453 HydrophobicContact CG1-CD1 4.18Å; L450-L453 HydrophobicContact CD2-CD1 4.22Å |
Retrieved 453 of 453 residues in 225.7 ms
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