| 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 | 28.1 | Very low | 27.9 | Very low | 249 Ų | 249 | 174.4 Ų | 174.4 | 100% | 1.227 | 88% | 0.883 | S | S | * | * | 0 | 122.5 | 0 | -141.3 | 173.4 | -172.3 | 0 | 0 | 108 | K3 | M1-K3 PolarHBondContact O-N 3.25Š| |||
| 2 | M | 29.5 | Very low | 27.9 | Very low | 195 Ų | 195 | 164 Ų | 164 | 96% | 0.961 | 85% | 0.852 | S | S | * | * | trans | -46.6 | 109.7 | -172.9 | -68.2 | 168.1 | 165.1 | 0 | 0 | 114.1 | ||||
| 3 | K | 29.5 | Very low | 28.3 | Very low | 209 Ų | 209 | 161.1 Ų | 161.1 | 91% | 0.909 | 85% | 0.85 | S | S | * | * | trans | -146.5 | 59.6 | 158.1 | -83.4 | -166.6 | 175.7 | 176.4 | 0 | 110.4 | M1 | M1-K3 PolarHBondContact O-N 3.25Š| ||
| 4 | K | 29.9 | Very low | 29 | Very low | 211 Ų | 211 | 157.2 Ų | 157.2 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | trans | -119.5 | 26.4 | 168 | -136.2 | -174.9 | -170.4 | -174.1 | 0 | 112.5 | ||||
| 5 | L | 30.1 | Very low | 29.7 | Very low | 159 Ų | 159 | 157.3 Ų | 157.3 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -137.4 | 126.5 | 172.9 | -86.8 | 148.5 | 0 | 0 | 0 | 106.8 | ||
| 6 | L | 27 | Very low | 30.4 | Very low | 176 Ų | 176 | 151.1 Ų | 151.1 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | 97.8 | 67.6 | 175.4 | -50.8 | 166.8 | 0 | 0 | 0 | 116.7 | ||||
| 7 | A | 28.5 | Very low | 31 | Very low | 89 Ų | 89 | 144.5 Ų | 144.5 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -155.9 | 89.5 | 136.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 8 | S | 24.6 | Very low | 31.3 | Very low | 98 Ų | 98 | 145 Ų | 145 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | 71.2 | 98.2 | 117.8 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | D10 | S8-D10 VanDerWaalsContact C-N 3.31Å; S8-D10 PolarHBondContact O-N 3.42Å | |||
| 9 | K | 27 | Very low | 31.9 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | 55.3 | 42.7 | 97 | -83 | -169.2 | 173.7 | -177.4 | 0 | 113.6 | H11 | K9-H11 PolarHBondContact O-N 3.48Š| |||
| 10 | D | 25.9 | Very low | 32.5 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | trans | -85.1 | 93.8 | 146.7 | -89 | -26.2 | 0 | 0 | 0 | 107.6 | S8 G12 | S8-D10 VanDerWaalsContact C-N 3.31Å; S8-D10 PolarHBondContact O-N 3.42Å; D10-G12 PolarHBondContact O-N 2.79Å | ||
| 11 | H | 27.4 | Very low | 33.1 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 82% | 0.819 | 71% | 0.705 | S | S | * | * | trans | -59.9 | 82.6 | 152.7 | -79.3 | -65.6 | 0 | 0 | 0 | 107 | K9 | K9-H11 PolarHBondContact O-N 3.48Š| ||
| 12 | G | 27 | Very low | 33.9 | Very low | 50 Ų | 50 | 131.4 Ų | 131.4 | 52% | 0.515 | 68% | 0.68 | S | S | . | * | trans | -50.6 | 138.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | D10 S14 | D10-G12 PolarHBondContact O-N 2.79Å; G12-S14 PolarHBondContact O-N 2.89Å | ||
| 13 | P | 33.4 | Very low | 34.7 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | trans | -54.8 | 117 | -168.3 | 24.8 | -32.5 | 0 | 0 | 0 | 106.8 | R15 | P13-R15 PolarHBondContact O-N 2.93Š| ||
| 14 | S | 38.5 | Very low | 35.4 | Very low | 107 Ų | 107 | 121 Ų | 121 | 75% | 0.748 | 64% | 0.637 | S | S | * | * | trans | -34.3 | 110.9 | 172.7 | 170.8 | 0 | 0 | 0 | 0 | 107.2 | G12 S16 | G12-S14 PolarHBondContact O-N 2.89Å; S14-S16 WeakPolarHBondContact O-CA 3.18Å; S14-S16 PolarHBondContact O-N 3.26Å | ||
| 15 | R | 38.8 | Very low | 36.3 | Very low | 159 Ų | 159 | 111.8 Ų | 111.8 | 60% | 0.6 | 60% | 0.597 | S | S | * | * | trans | -27.4 | 110.3 | 176.3 | -109.7 | 176.7 | 167.9 | -177.7 | -2.3 | 107.3 | P13 S17 | P13-R15 PolarHBondContact O-N 2.93Å; R15-S17 PolarHBondContact O-N 3.32Å | ||
| 16 | S | 41.6 | Very low | 37.3 | Very low | 58 Ų | 58 | 106.9 Ų | 106.9 | 41% | 0.406 | 59% | 0.585 | S | S | . | * | trans | -56.6 | 134.6 | -164.3 | 74.1 | 0 | 0 | 0 | 0 | 107.5 | S14 K18 E19 T20 | S14-S16 WeakPolarHBondContact O-CA 3.18Å; S14-S16 PolarHBondContact O-N 3.26Å; S16-K18 CarbonylContact O-C 3.55Å; S16-K18 PolarHBondContact O-N 2.89Å; S16-E19 WeakPolarHBondContact O-CA 3.29Å; S16-E19 WeakPolarHBondContact O-CB 3.37Å; S16-E19 PolarHBondContact O-N 3.1Å; S16-T20 PolarHBondContact O-N 3.33Å | ||
| 17 | S | 40.1 | Very low | 38.4 | Very low | 38 Ų | 38 | 101.7 Ų | 101.7 | 27% | 0.266 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -54.6 | -23.4 | -174.1 | -46.4 | 0 | 0 | 0 | 0 | 113.3 | R15 T20 F21 T309 | R15-S17 PolarHBondContact O-N 3.32Å; S17-T20 PolarHBondContact O-N 3.46Å; S17-F21 WeakPolarHBondContact O-CB 3.3Å; S17-F21 PolarHBondContact O-N 3.09Å; S17-T309 WeakPolarHBondContact CB-O 3.45Å; S17-T309 VanDerWaalsContact OG-C 3.29Å; S17-T309 PolarHBondContact OG-O 3.02Å |
| 18 | K | 36.3 | Very low | 39.7 | Very low | 154 Ų | 154 | 98 Ų | 98 | 67% | 0.67 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.8 | -38.5 | 168.4 | -77.8 | -177.6 | 176.8 | 174.6 | 0 | 114 | S16 R22 | S16-K18 CarbonylContact O-C 3.55Å; S16-K18 PolarHBondContact O-N 2.89Å; K18-R22 WeakPolarHBondContact O-CB 3.35Å; K18-R22 WeakPolarHBondContact O-CG 3.29Å; K18-R22 PolarHBondContact O-N 2.96Å |
| 19 | E | 43 | Very low | 41.6 | Very low | 98 Ų | 98 | 98.4 Ų | 98.4 | 46% | 0.458 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.3 | -42.3 | 175.5 | -74.8 | 174.5 | 160.5 | 0 | 0 | 111.5 | S16 F21 R22 L23 | S16-E19 WeakPolarHBondContact O-CA 3.29Å; S16-E19 WeakPolarHBondContact O-CB 3.37Å; S16-E19 PolarHBondContact O-N 3.1Å; E19-F21 VanDerWaalsContact C-N 3.34Å; E19-F21 PolarHBondContact O-N 3.47Å; E19-R22 CarbonylContact O-C 3.58Å; E19-R22 PolarHBondContact O-N 3.14Å; E19-L23 WeakPolarHBondContact O-CB 3.46Å; E19-L23 VanDerWaalsContact O-CG 3.26Å; E19-L23 WeakPolarHBondContact O-CG 3.5Å; E19-L23 PolarHBondContact O-N 3.18Å |
| 20 | T | 44.8 | Very low | 43.6 | Very low | 56 Ų | 56 | 95 Ų | 95 | 34% | 0.344 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 175.8 | -39 | 0 | 0 | 0 | 0 | 110.8 | S16 S17 L23 L24 | S16-T20 PolarHBondContact O-N 3.33Å; S17-T20 PolarHBondContact O-N 3.46Å; T20-L23 PolarHBondContact O-N 3.23Å; T20-L24 WeakPolarHBondContact O-CB 3.08Å; T20-L24 PolarHBondContact O-N 3.12Å |
| 21 | F | 45.2 | Very low | 45.8 | Very low | 60 Ų | 60 | 94.2 Ų | 94.2 | 26% | 0.263 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 174.5 | -171.5 | -111.6 | 0 | 0 | 0 | 112.9 | S17 E19 L23 L24 L25 F36 L307 | S17-F21 WeakPolarHBondContact O-CB 3.3Å; S17-F21 PolarHBondContact O-N 3.09Å; E19-F21 VanDerWaalsContact C-N 3.34Å; E19-F21 PolarHBondContact O-N 3.47Å; F21-L23 VanDerWaalsContact C-N 3.34Å; F21-L24 PolarHBondContact O-N 3.43Å; F21-L25 HydrophobicContact CD1-CD1 3.81Å; F21-L25 HydrophobicContact CE1-CD1 3.18Å; F21-L25 HydrophobicContact CE1-CG 4.1Å; F21-L25 HydrophobicContact CE2-CD1 4.14Å; F21-L25 HydrophobicContact CE2-CG 4.25Å; F21-L25 HydrophobicContact CZ-CD1 3.38Å; F21-L25 HydrophobicContact CZ-CG 3.95Å; F21-L25 WeakPolarHBondContact O-CB 3.42Å; F21-L25 PolarHBondContact O-N 3.35Å; F21-F36 HydrophobicContact CZ-CE1 4.03Å; F21-L307 HydrophobicContact CD2-CD2 4.12Å; F21-L307 HydrophobicContact CE2-CD2 3.26Å; F21-L307 HydrophobicContact CZ-CD2 3.68Å |
| 22 | R | 43.5 | Very low | 47.5 | Very low | 185 Ų | 185 | 87 Ų | 87 | 70% | 0.698 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.6 | -35.4 | 172.8 | -86.3 | -179.9 | 170.9 | 163.6 | -2.9 | 112.5 | K18 E19 G26 | K18-R22 WeakPolarHBondContact O-CB 3.35Å; K18-R22 WeakPolarHBondContact O-CG 3.29Å; K18-R22 PolarHBondContact O-N 2.96Å; E19-R22 CarbonylContact O-C 3.58Å; E19-R22 PolarHBondContact O-N 3.14Å; R22-G26 VanDerWaalsContact O-CA 3.24Å; R22-G26 WeakPolarHBondContact O-CA 3.26Å; R22-G26 PolarHBondContact O-N 3.29Å |
| 23 | L | 45.7 | Very low | 49.1 | Very low | 108 Ų | 108 | 88.7 Ų | 88.7 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -69.5 | -42.7 | 174.2 | -72.8 | 169.3 | 0 | 0 | 0 | 110.5 | E19 T20 F21 G26 A27 | E19-L23 WeakPolarHBondContact O-CB 3.46Å; E19-L23 VanDerWaalsContact O-CG 3.26Å; E19-L23 WeakPolarHBondContact O-CG 3.5Å; E19-L23 PolarHBondContact O-N 3.18Å; T20-L23 PolarHBondContact O-N 3.23Å; F21-L23 VanDerWaalsContact C-N 3.34Å; L23-G26 PolarHBondContact O-N 3.22Å; L23-A27 PolarHBondContact O-N 2.7Å; L23-A27 VanDerWaalsContact O-N 3.12Å |
| 24 | L | 46.1 | Very low | 50.7 | Low | 78 Ų | 78 | 85.4 Ų | 85.4 | 41% | 0.408 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 178.8 | -129.4 | 144.1 | 0 | 0 | 0 | 112.5 | T20 F21 V28 | T20-L24 WeakPolarHBondContact O-CB 3.08Å; T20-L24 PolarHBondContact O-N 3.12Å; F21-L24 PolarHBondContact O-N 3.43Å; L24-V28 WeakPolarHBondContact O-CG2 3.36Å |
| 25 | L | 48.9 | Very low | 52.2 | Low | 17 Ų | 17 | 84.7 Ų | 84.7 | 9% | 0.089 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -81.8 | -24.6 | 172.6 | -76.2 | 178.4 | 0 | 0 | 0 | 113.7 | F21 A27 V28 R33 F36 L64 | F21-L25 HydrophobicContact CD1-CD1 3.81Å; F21-L25 HydrophobicContact CE1-CD1 3.18Å; F21-L25 HydrophobicContact CE1-CG 4.1Å; F21-L25 HydrophobicContact CE2-CD1 4.14Å; F21-L25 HydrophobicContact CE2-CG 4.25Å; F21-L25 HydrophobicContact CZ-CD1 3.38Å; F21-L25 HydrophobicContact CZ-CG 3.95Å; F21-L25 WeakPolarHBondContact O-CB 3.42Å; F21-L25 PolarHBondContact O-N 3.35Å; L25-A27 VanDerWaalsContact C-N 3.29Å; L25-V28 PolarHBondContact O-N 3.16Å; L25-R33 HydrophobicContact CB-CG 4.44Å; L25-R33 HydrophobicContact CD2-CG 4.43Å; L25-F36 HydrophobicContact CD2-CD1 4.27Å; L25-L64 HydrophobicContact CD2-CD1 4Å; L25-L64 HydrophobicContact CD2-CD2 4.34Å |
| 26 | G | 49.4 | Very low | 53.6 | Low | 55 Ų | 55 | 77.3 Ų | 77.3 | 57% | 0.567 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -73 | -23.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R22 L23 V28 | R22-G26 VanDerWaalsContact O-CA 3.24Å; R22-G26 WeakPolarHBondContact O-CA 3.26Å; R22-G26 PolarHBondContact O-N 3.29Å; L23-G26 PolarHBondContact O-N 3.22Å; G26-V28 PolarHBondContact O-N 3.36Å |
| 27 | A | 50.9 | Low | 54.8 | Low | 68 Ų | 68 | 78.2 Ų | 78.2 | 56% | 0.562 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -0.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L23 L25 | L23-A27 PolarHBondContact O-N 2.7Å; L23-A27 VanDerWaalsContact O-N 3.12Å; L25-A27 VanDerWaalsContact C-N 3.29Å |
| 28 | V | 56.2 | Low | 56.3 | Low | 12 Ų | 12 | 83.7 Ų | 83.7 | 7% | 0.073 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -111.4 | 142.6 | -174.6 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | L24 L25 G26 V32 L64 T68 | L24-V28 WeakPolarHBondContact O-CG2 3.36Å; L25-V28 PolarHBondContact O-N 3.16Å; G26-V28 PolarHBondContact O-N 3.36Å; V28-V32 HydrophobicContact CG1-CB 3.82Å; V28-V32 HydrophobicContact CG1-CG1 3.96Å; V28-L64 HydrophobicContact CB-CD2 3.98Å; V28-L64 HydrophobicContact CG1-CD2 3.25Å; V28-L64 HydrophobicContact CG2-CD2 3.92Å; V28-T68 HydrophobicContact CG2-CG2 4.4Å |
| 29 | D | 65.1 | Low | 57.7 | Low | 105 Ų | 105 | 77.5 Ų | 77.5 | 56% | 0.561 | 39% | 0.394 | S | S | * | . | trans | -45.3 | 138.9 | 171.3 | -164.2 | 4.5 | 0 | 0 | 0 | 112.7 | E31 V32 R33 | D29-E31 VanDerWaalsContact C-N 3.27Å; D29-E31 PolarHBondContact O-N 3.41Å; D29-V32 HydrophobicContact CB-CG2 4.24Å; D29-V32 PolarHBondContact O-N 2.97Å; D29-R33 PolarHBondContact O-N 3.07Å | ||
| 30 | E | 69.1 | Low | 58.7 | Low | 124 Ų | 124 | 75.5 Ų | 75.5 | 58% | 0.579 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.5 | -34.2 | -170.2 | 179.5 | 158.2 | -138.8 | 0 | 0 | 112.1 | R33 T34 | E30-R33 PolarHBondContact O-N 3.16Å; E30-R33 IonicContact OE1-NH2 2.69Å; E30-R33 PolarHBondContact OE1-NH2 3.28Å; E30-T34 HydrophobicContact CG-CG2 4.34Å; E30-T34 WeakPolarHBondContact O-CG2 3.38Å; E30-T34 PolarHBondContact O-N 3.5Å; E30-T34 PolarHBondContact O-OG1 2.84Å |
| 31 | E | 71 | Confident | 59.6 | Low | 143 Ų | 143 | 81 Ų | 81 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.6 | -48.4 | 176.6 | -171.3 | 178.4 | 179 | 0 | 0 | 111.7 | D29 R33 T34 K35 | D29-E31 VanDerWaalsContact C-N 3.27Å; D29-E31 PolarHBondContact O-N 3.41Å; E31-R33 VanDerWaalsContact C-N 3.33Å; E31-R33 PolarHBondContact O-N 3.18Å; E31-T34 PolarHBondContact O-N 2.94Å; E31-T34 PolarHBondContact O-OG1 2.99Å; E31-K35 WeakPolarHBondContact O-CB 3.01Å; E31-K35 PolarHBondContact O-N 3.42Å |
| 32 | V | 62.9 | Low | 60.5 | Low | 27 Ų | 27 | 83.1 Ų | 83.1 | 16% | 0.164 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | -180 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | V28 D29 K35 F36 E60 L64 | V28-V32 HydrophobicContact CG1-CB 3.82Å; V28-V32 HydrophobicContact CG1-CG1 3.96Å; D29-V32 HydrophobicContact CB-CG2 4.24Å; D29-V32 PolarHBondContact O-N 2.97Å; V32-K35 PolarHBondContact O-N 2.99Å; V32-F36 WeakPolarHBondContact O-CB 3.23Å; V32-F36 PolarHBondContact O-N 2.9Å; V32-E60 WeakPolarHBondContact CG1-OE1 3.45Å; V32-L64 HydrophobicContact CB-CD2 4.32Å; V32-L64 HydrophobicContact CG1-CD2 3.44Å; V32-L64 VanDerWaalsContact CG1-CD2 3.44Å; V32-L64 HydrophobicContact CG1-CG 4.15Å |
| 33 | R | 60.7 | Low | 61.2 | Low | 85 Ų | 85 | 74.5 Ų | 74.5 | 32% | 0.321 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 175.4 | -178.2 | -179 | 67.2 | 157.9 | -1.2 | 112.1 | L25 D29 E30 E31 F36 L37 | L25-R33 HydrophobicContact CB-CG 4.44Å; L25-R33 HydrophobicContact CD2-CG 4.43Å; D29-R33 PolarHBondContact O-N 3.07Å; E30-R33 PolarHBondContact O-N 3.16Å; E30-R33 IonicContact OE1-NH2 2.69Å; E30-R33 PolarHBondContact OE1-NH2 3.28Å; E31-R33 VanDerWaalsContact C-N 3.33Å; E31-R33 PolarHBondContact O-N 3.18Å; R33-F36 PolarHBondContact O-N 3.01Å; R33-L37 HydrophobicContact CG-CD1 4.21Å; R33-L37 WeakPolarHBondContact O-CB 3.35Å; R33-L37 WeakPolarHBondContact O-CG 3.38Å; R33-L37 PolarHBondContact O-N 3.39Å |
| 34 | T | 66.8 | Low | 61.8 | Low | 56 Ų | 56 | 73.8 Ų | 73.8 | 34% | 0.344 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.1 | -37.9 | -179.5 | 61.5 | 0 | 0 | 0 | 0 | 111.7 | E30 E31 L37 K38 | E30-T34 HydrophobicContact CG-CG2 4.34Å; E30-T34 WeakPolarHBondContact O-CG2 3.38Å; E30-T34 PolarHBondContact O-N 3.5Å; E30-T34 PolarHBondContact O-OG1 2.84Å; E31-T34 PolarHBondContact O-N 2.94Å; E31-T34 PolarHBondContact O-OG1 2.99Å; T34-L37 PolarHBondContact O-N 3.46Å; T34-K38 WeakPolarHBondContact O-CB 3.36Å; T34-K38 VanDerWaalsContact O-CG 3.29Å; T34-K38 WeakPolarHBondContact O-CG 3.45Å; T34-K38 PolarHBondContact O-N 2.94Å |
| 35 | K | 71.1 | Confident | 62.3 | Low | 93 Ų | 93 | 76.1 Ų | 76.1 | 40% | 0.404 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 175.1 | -171.4 | 178.4 | 176.6 | -158.7 | 0 | 111.8 | E31 V32 K38 L39 E60 | E31-K35 WeakPolarHBondContact O-CB 3.01Å; E31-K35 PolarHBondContact O-N 3.42Å; V32-K35 PolarHBondContact O-N 2.99Å; K35-K38 PolarHBondContact O-N 2.8Å; K35-L39 HydrophobicContact CG-CD1 4.24Å; K35-L39 WeakPolarHBondContact O-CG 3.46Å; K35-L39 PolarHBondContact O-N 3.45Å; K35-E60 HydrophobicContact CD-CG 4.27Å; K35-E60 WeakPolarHBondContact CE-OE2 3.28Å; K35-E60 HydrophobicContact CG-CG 4.36Å; K35-E60 IonicContact NZ-OE2 2.96Å; K35-E60 PolarHBondContact NZ-OE2 3.42Å |
| 36 | F | 67.6 | Low | 62.5 | Low | 3 Ų | 3 | 76.9 Ų | 76.9 | 1% | 0.013 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 174 | 176.9 | -92.3 | 0 | 0 | 0 | 111.8 | F21 L25 V32 R33 K38 L39 Y40 F57 L61 L64 L307 | F21-F36 HydrophobicContact CZ-CE1 4.03Å; L25-F36 HydrophobicContact CD2-CD1 4.27Å; V32-F36 WeakPolarHBondContact O-CB 3.23Å; V32-F36 PolarHBondContact O-N 2.9Å; R33-F36 PolarHBondContact O-N 3.01Å; F36-K38 VanDerWaalsContact C-N 3.31Å; F36-K38 PolarHBondContact O-N 3.01Å; F36-L39 PolarHBondContact O-N 2.76Å; F36-Y40 VanDerWaalsContact O-CB 3.3Å; F36-Y40 WeakPolarHBondContact O-CB 3.46Å; F36-Y40 PolarHBondContact O-N 2.94Å; F36-F57 HydrophobicContact CD2-CD2 4.26Å; F36-F57 AromaticContact CD2-CE2 3.64Å; F36-F57 HydrophobicContact CD2-CE2 3.64Å; F36-F57 HydrophobicContact CD2-CZ 4.1Å; F36-F57 HydrophobicContact CE1-CE2 4.15Å; F36-F57 HydrophobicContact CE1-CZ 4.32Å; F36-F57 HydrophobicContact CE2-CD2 4.12Å; F36-F57 HydrophobicContact CE2-CE1 4.06Å; F36-F57 AromaticContact CE2-CE2 3.19Å; F36-F57 HydrophobicContact CE2-CE2 3.19Å; F36-F57 AromaticContact CE2-CZ 3.19Å; F36-F57 HydrophobicContact CE2-CZ 3.19Å; F36-F57 HydrophobicContact CG-CE2 4.32Å; F36-F57 HydrophobicContact CZ-CE1 4.44Å; F36-F57 AromaticContact CZ-CE2 3.48Å; F36-F57 HydrophobicContact CZ-CE2 3.48Å; F36-F57 VanDerWaalsContact CZ-CE2 3.48Å; F36-F57 AromaticContact CZ-CZ 3.33Å; F36-F57 HydrophobicContact CZ-CZ 3.33Å; F36-L61 HydrophobicContact CE2-CB 4.12Å; F36-L61 HydrophobicContact CE2-CD1 4.01Å; F36-L61 HydrophobicContact CE2-CG 4.22Å; F36-L61 HydrophobicContact CZ-CD1 4.47Å; F36-L64 HydrophobicContact CB-CD1 4.05Å; F36-L64 HydrophobicContact CD1-CD1 4.25Å; F36-L64 HydrophobicContact CD2-CD1 3.36Å; F36-L64 HydrophobicContact CE2-CD1 3.74Å; F36-L64 HydrophobicContact CG-CD1 3.62Å; F36-L64 HydrophobicContact CZ-CD1 4.35Å; F36-L307 HydrophobicContact CZ-CD2 4.36Å |
| 37 | L | 67.4 | Low | 62.5 | Low | 78 Ų | 78 | 80.6 Ų | 80.6 | 41% | 0.408 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.9 | -35.4 | 178.8 | -72 | 172.9 | 0 | 0 | 0 | 112.6 | R33 T34 R41 | R33-L37 HydrophobicContact CG-CD1 4.21Å; R33-L37 WeakPolarHBondContact O-CB 3.35Å; R33-L37 WeakPolarHBondContact O-CG 3.38Å; R33-L37 PolarHBondContact O-N 3.39Å; T34-L37 PolarHBondContact O-N 3.46Å; L37-R41 WeakPolarHBondContact O-CB 3.46Å; L37-R41 PolarHBondContact O-N 3.32Å |
| 38 | K | 70.8 | Confident | 62.3 | Low | 153 Ų | 153 | 80.7 Ų | 80.7 | 67% | 0.665 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.4 | -48.5 | 173.2 | -77.9 | 174.6 | -178.1 | 175.6 | 0 | 111.4 | T34 K35 F36 R41 Q42 | T34-K38 WeakPolarHBondContact O-CB 3.36Å; T34-K38 VanDerWaalsContact O-CG 3.29Å; T34-K38 WeakPolarHBondContact O-CG 3.45Å; T34-K38 PolarHBondContact O-N 2.94Å; K35-K38 PolarHBondContact O-N 2.8Å; F36-K38 VanDerWaalsContact C-N 3.31Å; F36-K38 PolarHBondContact O-N 3.01Å; K38-R41 PolarHBondContact O-N 3.29Å; K38-Q42 WeakPolarHBondContact O-CB 3.28Å; K38-Q42 PolarHBondContact O-N 3.34Å |
| 39 | L | 65.6 | Low | 62.1 | Low | 23 Ų | 23 | 82 Ų | 82 | 12% | 0.12 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 178 | -72.5 | 168.7 | 0 | 0 | 0 | 111.3 | K35 F36 R41 Q42 L43 D56 F57 E60 | K35-L39 HydrophobicContact CG-CD1 4.24Å; K35-L39 WeakPolarHBondContact O-CG 3.46Å; K35-L39 PolarHBondContact O-N 3.45Å; F36-L39 PolarHBondContact O-N 2.76Å; L39-R41 PolarHBondContact O-N 2.91Å; L39-Q42 PolarHBondContact O-N 3.06Å; L39-L43 VanDerWaalsContact O-CB 3.27Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 3.31Å; L39-D56 HydrophobicContact CD2-CB 4.31Å; L39-F57 HydrophobicContact CB-CB 4.37Å; L39-F57 HydrophobicContact CB-CD2 3.89Å; L39-E60 HydrophobicContact CD1-CB 4.02Å; L39-E60 HydrophobicContact CD1-CG 4.33Å |
| 40 | Y | 65.1 | Low | 61.7 | Low | 56 Ų | 56 | 79.8 Ų | 79.8 | 22% | 0.22 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -56.6 | -49.7 | 174.3 | -177 | -107.9 | 0 | 0 | 0 | 111.7 | F36 Q42 L43 M44 F57 N304 L307 | F36-Y40 VanDerWaalsContact O-CB 3.3Å; F36-Y40 WeakPolarHBondContact O-CB 3.46Å; F36-Y40 PolarHBondContact O-N 2.94Å; Y40-Q42 VanDerWaalsContact C-N 3.35Å; Y40-Q42 PolarHBondContact O-N 3.05Å; Y40-L43 WeakPolarHBondContact O-CB 3.31Å; Y40-L43 PolarHBondContact O-N 3.48Å; Y40-M44 HydrophobicContact CD1-CG 4.26Å; Y40-M44 HydrophobicContact CD2-CG 4.24Å; Y40-M44 HydrophobicContact CE1-CG 3.9Å; Y40-M44 HydrophobicContact CE2-CG 3.88Å; Y40-M44 HydrophobicContact CE2-SD 4.22Å; Y40-M44 HydrophobicContact CG-CG 4.42Å; Y40-M44 WeakPolarHBondContact O-CB 3.4Å; Y40-M44 VanDerWaalsContact O-CG 3.25Å; Y40-M44 WeakPolarHBondContact O-CG 3.38Å; Y40-M44 PolarHBondContact O-N 2.9Å; Y40-F57 AromaticContact CD2-CE2 3.96Å; Y40-F57 HydrophobicContact CD2-CE2 3.96Å; Y40-F57 AromaticContact CD2-CZ 3.99Å; Y40-F57 HydrophobicContact CD2-CZ 3.99Å; Y40-F57 HydrophobicContact CG-CE2 4.35Å; Y40-N304 PolarHBondContact OH-OD1 3.28Å; Y40-L307 HydrophobicContact CD2-CD1 3.98Å; Y40-L307 HydrophobicContact CE2-CD1 3.5Å; Y40-L307 VanDerWaalsContact CE2-CD1 3.5Å |
| 41 | R | 62.9 | Low | 60.9 | Low | 173 Ų | 173 | 74.4 Ų | 74.4 | 65% | 0.653 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 178.7 | -178.9 | 175.5 | 177.5 | 179.1 | 1.1 | 111.6 | L37 K38 L39 L43 L45 | L37-R41 WeakPolarHBondContact O-CB 3.46Å; L37-R41 PolarHBondContact O-N 3.32Å; K38-R41 PolarHBondContact O-N 3.29Å; L39-R41 PolarHBondContact O-N 2.91Å; R41-L43 VanDerWaalsContact C-N 3.33Å; R41-L45 HydrophobicContact CG-CD1 3.49Å; R41-L45 VanDerWaalsContact CG-CD1 3.49Å; R41-L45 HydrophobicContact CG-CG 4.2Å; R41-L45 VanDerWaalsContact O-CB 3.25Å; R41-L45 WeakPolarHBondContact O-CB 3.44Å; R41-L45 VanDerWaalsContact O-CG 3.25Å; R41-L45 WeakPolarHBondContact O-CG 3.33Å; R41-L45 PolarHBondContact O-N 3.25Å |
| 42 | Q | 64.2 | Low | 60.3 | Low | 103 Ų | 103 | 69.5 Ų | 69.5 | 48% | 0.481 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 176.2 | -179.3 | 176.1 | -18.5 | 0 | 0 | 110.7 | K38 L39 Y40 S46 | K38-Q42 WeakPolarHBondContact O-CB 3.28Å; K38-Q42 PolarHBondContact O-N 3.34Å; L39-Q42 PolarHBondContact O-N 3.06Å; Y40-Q42 VanDerWaalsContact C-N 3.35Å; Y40-Q42 PolarHBondContact O-N 3.05Å; Q42-S46 WeakPolarHBondContact O-CB 3.22Å; Q42-S46 PolarHBondContact O-N 2.98Å; Q42-S46 PolarHBondContact O-OG 3.15Å |
| 43 | L | 58.1 | Low | 60.2 | Low | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 178.4 | -167.3 | 92.8 | 0 | 0 | 0 | 112.2 | L39 Y40 R41 S46 I49 I54 F300 | L39-L43 VanDerWaalsContact O-CB 3.27Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 3.31Å; Y40-L43 WeakPolarHBondContact O-CB 3.31Å; Y40-L43 PolarHBondContact O-N 3.48Å; R41-L43 VanDerWaalsContact C-N 3.33Å; L43-S46 PolarHBondContact O-OG 3.43Å; L43-I49 HydrophobicContact CD1-CG1 4.47Å; L43-I49 HydrophobicContact CD1-CG2 3.46Å; L43-I49 VanDerWaalsContact CD1-CG2 3.46Å; L43-I49 HydrophobicContact CG-CD1 4.45Å; L43-I49 HydrophobicContact CG-CG2 4.35Å; L43-I54 HydrophobicContact CD1-CG1 3.95Å; L43-F300 HydrophobicContact CD1-CD2 4.48Å; L43-F300 HydrophobicContact CD1-CE1 4.2Å; L43-F300 HydrophobicContact CD1-CE2 4Å; L43-F300 HydrophobicContact CD1-CZ 3.8Å; L43-F300 HydrophobicContact CD2-CD1 3.21Å; L43-F300 HydrophobicContact CD2-CD2 4.1Å; L43-F300 HydrophobicContact CD2-CE1 3.17Å; L43-F300 HydrophobicContact CD2-CE2 4.12Å; L43-F300 HydrophobicContact CD2-CG 3.69Å; L43-F300 HydrophobicContact CD2-CZ 3.65Å; L43-F300 HydrophobicContact CG-CD1 4.46Å; L43-F300 HydrophobicContact CG-CE1 4.3Å; L43-F300 HydrophobicContact CG-CZ 4.37Å |
| 44 | M | 57.1 | Low | 60 | Low | 93 Ų | 93 | 64.7 Ų | 64.7 | 46% | 0.458 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71.5 | -29.5 | -179 | -68.1 | -61.4 | -73.3 | 0 | 0 | 113.4 | Y40 | Y40-M44 HydrophobicContact CD1-CG 4.26Å; Y40-M44 HydrophobicContact CD2-CG 4.24Å; Y40-M44 HydrophobicContact CE1-CG 3.9Å; Y40-M44 HydrophobicContact CE2-CG 3.88Å; Y40-M44 HydrophobicContact CE2-SD 4.22Å; Y40-M44 HydrophobicContact CG-CG 4.42Å; Y40-M44 WeakPolarHBondContact O-CB 3.4Å; Y40-M44 VanDerWaalsContact O-CG 3.25Å; Y40-M44 WeakPolarHBondContact O-CG 3.38Å; Y40-M44 PolarHBondContact O-N 2.9Å |
| 45 | L | 57.2 | Low | 59.5 | Low | 126 Ų | 126 | 62.7 Ų | 62.7 | 66% | 0.66 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -94.6 | -15.2 | -178.6 | -65.3 | 176.8 | 0 | 0 | 0 | 113.5 | R41 | R41-L45 HydrophobicContact CG-CD1 3.49Å; R41-L45 VanDerWaalsContact CG-CD1 3.49Å; R41-L45 HydrophobicContact CG-CG 4.2Å; R41-L45 VanDerWaalsContact O-CB 3.25Å; R41-L45 WeakPolarHBondContact O-CB 3.44Å; R41-L45 VanDerWaalsContact O-CG 3.25Å; R41-L45 WeakPolarHBondContact O-CG 3.33Å; R41-L45 PolarHBondContact O-N 3.25Å |
| 46 | S | 52.6 | Low | 59.3 | Low | 34 Ų | 34 | 61.4 Ų | 61.4 | 24% | 0.238 | 33% | 0.327 | C | S | . | . | trans | -86.1 | 114.7 | 176.9 | 66.8 | 0 | 0 | 0 | 0 | 110.6 | Q42 L43 A48 I49 | Q42-S46 WeakPolarHBondContact O-CB 3.22Å; Q42-S46 PolarHBondContact O-N 2.98Å; Q42-S46 PolarHBondContact O-OG 3.15Å; L43-S46 PolarHBondContact O-OG 3.43Å; S46-A48 WeakPolarHBondContact CB-O 3.24Å; S46-A48 PolarHBondContact O-N 3.21Å; S46-A48 PolarHBondContact OG-O 3.23Å; S46-I49 WeakPolarHBondContact O-CG1 3.41Å; S46-I49 WeakPolarHBondContact OG-CA 3.47Å | ||
| 47 | S | 50 | Low | 59.1 | Low | 133 Ų | 133 | 61.3 Ų | 61.3 | 93% | 0.93 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -61.8 | -22.7 | 162.3 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 48 | A | 47.1 | Very low | 58.6 | Low | 69 Ų | 69 | 58.1 Ų | 58.1 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -107.1 | 77.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | S46 T50 | S46-A48 WeakPolarHBondContact CB-O 3.24Å; S46-A48 PolarHBondContact O-N 3.21Å; S46-A48 PolarHBondContact OG-O 3.23Å; A48-T50 PolarHBondContact O-N 3.14Å |
| 49 | I | 52.5 | Low | 58.3 | Low | 40 Ų | 40 | 53.6 Ų | 53.6 | 21% | 0.205 | 30% | 0.295 | C | S | . | . | trans | -64.1 | 108.3 | 170.3 | -60.8 | 171.4 | 0 | 0 | 0 | 107.1 | L43 S46 I54 | L43-I49 HydrophobicContact CD1-CG1 4.47Å; L43-I49 HydrophobicContact CD1-CG2 3.46Å; L43-I49 VanDerWaalsContact CD1-CG2 3.46Å; L43-I49 HydrophobicContact CG-CD1 4.45Å; L43-I49 HydrophobicContact CG-CG2 4.35Å; S46-I49 WeakPolarHBondContact O-CG1 3.41Å; S46-I49 WeakPolarHBondContact OG-CA 3.47Å; I49-I54 HydrophobicContact CG2-CD1 3.44Å; I49-I54 VanDerWaalsContact CG2-CD1 3.44Å; I49-I54 HydrophobicContact CG2-CG1 3.18Å | ||
| 50 | T | 55.1 | Low | 58.4 | Low | 59 Ų | 59 | 52.9 Ų | 52.9 | 36% | 0.362 | 29% | 0.291 | S | S | . | . | trans | -75.5 | 137.3 | 171.7 | 39.7 | 0 | 0 | 0 | 0 | 108.6 | A48 S52 A53 I54 | A48-T50 PolarHBondContact O-N 3.14Å; T50-S52 PolarHBondContact O-N 3.33Å; T50-A53 WeakPolarHBondContact O-CA 3.03Å; T50-A53 VanDerWaalsContact O-CB 3.29Å; T50-A53 WeakPolarHBondContact O-CB 3.36Å; T50-A53 PolarHBondContact O-N 3.09Å; T50-I54 PolarHBondContact O-N 2.91Å | ||
| 51 | T | 53.2 | Low | 58.1 | Low | 11 Ų | 11 | 51.1 Ų | 51.1 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.4 | -33.2 | -174.6 | 59 | 0 | 0 | 0 | 0 | 112.9 | A53 I54 V55 E272 Q292 | T51-A53 VanDerWaalsContact C-N 3.33Å; T51-A53 PolarHBondContact O-N 3.29Å; T51-I54 WeakPolarHBondContact O-CB 3.5Å; T51-I54 PolarHBondContact O-N 3.09Å; T51-V55 WeakPolarHBondContact O-CG2 3.47Å; T51-V55 PolarHBondContact O-N 3.31Å; T51-E272 WeakPolarHBondContact CB-OE2 3.13Å; T51-E272 PolarHBondContact OG1-OE2 3.17Å; T51-Q292 HydrophobicContact CG2-CB 4.48Å; T51-Q292 HydrophobicContact CG2-CG 3.74Å |
| 52 | S | 58.7 | Low | 57.7 | Low | 40 Ų | 40 | 46 Ų | 46 | 28% | 0.28 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.4 | -45.9 | 167.3 | -172 | 0 | 0 | 0 | 0 | 111.6 | T50 I54 V55 D56 | T50-S52 PolarHBondContact O-N 3.33Å; S52-I54 VanDerWaalsContact C-N 3.3Å; S52-I54 PolarHBondContact O-N 2.9Å; S52-V55 PolarHBondContact O-N 3.44Å; S52-D56 WeakPolarHBondContact O-CB 3.27Å; S52-D56 PolarHBondContact O-N 3.29Å; S52-D56 PolarHBondContact OG-OD2 3.4Å |
| 53 | A | 60.3 | Low | 57.7 | Low | 6 Ų | 6 | 45.3 Ų | 45.3 | 5% | 0.05 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -35.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T50 T51 F57 | T50-A53 WeakPolarHBondContact O-CA 3.03Å; T50-A53 VanDerWaalsContact O-CB 3.29Å; T50-A53 WeakPolarHBondContact O-CB 3.36Å; T50-A53 PolarHBondContact O-N 3.09Å; T51-A53 VanDerWaalsContact C-N 3.33Å; T51-A53 PolarHBondContact O-N 3.29Å; A53-F57 WeakPolarHBondContact O-CB 3.34Å; A53-F57 PolarHBondContact O-N 3.19Å |
| 54 | I | 56.1 | Low | 57.6 | Low | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.2 | -56.7 | 171.7 | -62.3 | -178 | 0 | 0 | 0 | 109.9 | L43 I49 T50 T51 S52 D56 F57 L58 L268 F300 | L43-I54 HydrophobicContact CD1-CG1 3.95Å; I49-I54 HydrophobicContact CG2-CD1 3.44Å; I49-I54 VanDerWaalsContact CG2-CD1 3.44Å; I49-I54 HydrophobicContact CG2-CG1 3.18Å; T50-I54 PolarHBondContact O-N 2.91Å; T51-I54 WeakPolarHBondContact O-CB 3.5Å; T51-I54 PolarHBondContact O-N 3.09Å; S52-I54 VanDerWaalsContact C-N 3.3Å; S52-I54 PolarHBondContact O-N 2.9Å; I54-D56 PolarHBondContact O-N 3.28Å; I54-F57 WeakPolarHBondContact O-CB 2.92Å; I54-F57 PolarHBondContact O-N 3.19Å; I54-L58 HydrophobicContact CG2-CD1 4.16Å; I54-L58 WeakPolarHBondContact O-CG 2.89Å; I54-L58 PolarHBondContact O-N 2.94Å; I54-L268 HydrophobicContact CG2-CD1 4.42Å; I54-F300 HydrophobicContact CB-CE2 3.7Å; I54-F300 HydrophobicContact CB-CZ 3.85Å; I54-F300 HydrophobicContact CD1-CD2 4.37Å; I54-F300 HydrophobicContact CD1-CE2 3.69Å; I54-F300 HydrophobicContact CG1-CD2 4.35Å; I54-F300 HydrophobicContact CG1-CE2 3.36Å; I54-F300 HydrophobicContact CG1-CZ 3.91Å; I54-F300 HydrophobicContact CG2-CE2 3.37Å; I54-F300 HydrophobicContact CG2-CZ 3.53Å |
| 55 | V | 57.3 | Low | 57 | Low | 15 Ų | 15 | 44.9 Ų | 44.9 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.6 | -40.7 | -175.8 | 174 | 0 | 0 | 0 | 0 | 110.9 | T51 S52 F57 L58 V59 E272 | T51-V55 WeakPolarHBondContact O-CG2 3.47Å; T51-V55 PolarHBondContact O-N 3.31Å; S52-V55 PolarHBondContact O-N 3.44Å; V55-F57 VanDerWaalsContact C-N 3.31Å; V55-F57 PolarHBondContact O-N 2.97Å; V55-L58 PolarHBondContact O-N 2.88Å; V55-V59 HydrophobicContact CG1-CG2 4.34Å; V55-V59 WeakPolarHBondContact O-CB 3.2Å; V55-V59 VanDerWaalsContact O-CG2 3.28Å; V55-V59 WeakPolarHBondContact O-CG2 3.48Å; V55-V59 PolarHBondContact O-N 2.89Å; V55-E272 HydrophobicContact CG2-CB 4.41Å; V55-E272 HydrophobicContact CG2-CG 4.19Å |
| 56 | D | 65.7 | Low | 56.5 | Low | 66 Ų | 66 | 41.3 Ų | 41.3 | 35% | 0.353 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 176.2 | -69.2 | -33.1 | 0 | 0 | 0 | 111 | L39 S52 I54 V59 E60 | L39-D56 HydrophobicContact CD2-CB 4.31Å; S52-D56 WeakPolarHBondContact O-CB 3.27Å; S52-D56 PolarHBondContact O-N 3.29Å; S52-D56 PolarHBondContact OG-OD2 3.4Å; I54-D56 PolarHBondContact O-N 3.28Å; D56-V59 PolarHBondContact O-N 3.49Å; D56-E60 WeakPolarHBondContact O-CB 3.21Å; D56-E60 PolarHBondContact O-N 3.25Å |
| 57 | F | 64.1 | Low | 56.2 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 173 | 179.6 | -91.5 | 0 | 0 | 0 | 111.7 | F36 L39 Y40 A53 I54 V55 V59 E60 L61 F300 L303 L307 | F36-F57 HydrophobicContact CD2-CD2 4.26Å; F36-F57 AromaticContact CD2-CE2 3.64Å; F36-F57 HydrophobicContact CD2-CE2 3.64Å; F36-F57 HydrophobicContact CD2-CZ 4.1Å; F36-F57 HydrophobicContact CE1-CE2 4.15Å; F36-F57 HydrophobicContact CE1-CZ 4.32Å; F36-F57 HydrophobicContact CE2-CD2 4.12Å; F36-F57 HydrophobicContact CE2-CE1 4.06Å; F36-F57 AromaticContact CE2-CE2 3.19Å; F36-F57 HydrophobicContact CE2-CE2 3.19Å; F36-F57 AromaticContact CE2-CZ 3.19Å; F36-F57 HydrophobicContact CE2-CZ 3.19Å; F36-F57 HydrophobicContact CG-CE2 4.32Å; F36-F57 HydrophobicContact CZ-CE1 4.44Å; F36-F57 AromaticContact CZ-CE2 3.48Å; F36-F57 HydrophobicContact CZ-CE2 3.48Å; F36-F57 VanDerWaalsContact CZ-CE2 3.48Å; F36-F57 AromaticContact CZ-CZ 3.33Å; F36-F57 HydrophobicContact CZ-CZ 3.33Å; L39-F57 HydrophobicContact CB-CB 4.37Å; L39-F57 HydrophobicContact CB-CD2 3.89Å; Y40-F57 AromaticContact CD2-CE2 3.96Å; Y40-F57 HydrophobicContact CD2-CE2 3.96Å; Y40-F57 AromaticContact CD2-CZ 3.99Å; Y40-F57 HydrophobicContact CD2-CZ 3.99Å; Y40-F57 HydrophobicContact CG-CE2 4.35Å; A53-F57 WeakPolarHBondContact O-CB 3.34Å; A53-F57 PolarHBondContact O-N 3.19Å; I54-F57 WeakPolarHBondContact O-CB 2.92Å; I54-F57 PolarHBondContact O-N 3.19Å; V55-F57 VanDerWaalsContact C-N 3.31Å; V55-F57 PolarHBondContact O-N 2.97Å; F57-V59 PolarHBondContact O-N 2.88Å; F57-E60 PolarHBondContact O-N 3.46Å; F57-L61 HydrophobicContact CE1-CD1 3.65Å; F57-L61 HydrophobicContact CZ-CD1 4.06Å; F57-L61 WeakPolarHBondContact O-CB 3.49Å; F57-L61 PolarHBondContact O-N 3.35Å; F57-F300 AromaticContact CD1-CE1 3.8Å; F57-F300 HydrophobicContact CD1-CE1 3.8Å; F57-F300 HydrophobicContact CD1-CZ 4.43Å; F57-F300 HydrophobicContact CE1-CE1 4.21Å; F57-L303 HydrophobicContact CD1-CD2 4.1Å; F57-L303 HydrophobicContact CE1-CD2 3.39Å; F57-L303 HydrophobicContact CE1-CG 4.43Å; F57-L303 HydrophobicContact CZ-CD2 4.27Å; F57-L307 HydrophobicContact CZ-CD1 4.4Å |
| 58 | L | 56.8 | Low | 55.7 | Low | 12 Ų | 12 | 38.2 Ų | 38.2 | 6% | 0.063 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | 176.9 | -65.6 | 176.1 | 0 | 0 | 0 | 112.1 | I54 V55 E60 L61 L62 Y299 | I54-L58 HydrophobicContact CG2-CD1 4.16Å; I54-L58 WeakPolarHBondContact O-CG 2.89Å; I54-L58 PolarHBondContact O-N 2.94Å; V55-L58 PolarHBondContact O-N 2.88Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E60 PolarHBondContact O-N 3.49Å; L58-L61 PolarHBondContact O-N 3.17Å; L58-L62 WeakPolarHBondContact O-CG 3.39Å; L58-L62 PolarHBondContact O-N 2.91Å; L58-Y299 HydrophobicContact CD2-CD1 4.33Å; L58-Y299 HydrophobicContact CD2-CE1 3.39Å |
| 59 | V | 65 | Low | 55 | Low | 58 Ų | 58 | 37.4 Ų | 37.4 | 35% | 0.352 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 176.7 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | V55 D56 F57 L62 K63 | V55-V59 HydrophobicContact CG1-CG2 4.34Å; V55-V59 WeakPolarHBondContact O-CB 3.2Å; V55-V59 VanDerWaalsContact O-CG2 3.28Å; V55-V59 WeakPolarHBondContact O-CG2 3.48Å; V55-V59 PolarHBondContact O-N 2.89Å; D56-V59 PolarHBondContact O-N 3.49Å; F57-V59 PolarHBondContact O-N 2.88Å; V59-L62 PolarHBondContact O-N 2.95Å; V59-K63 WeakPolarHBondContact O-CG 3.3Å; V59-K63 PolarHBondContact O-N 3.17Å; V59-K63 VanDerWaalsContact O-N 3.08Å |
| 60 | E | 66.2 | Low | 54.1 | Low | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.6 | -36.2 | 177.2 | -150.1 | 63.4 | -144.8 | 0 | 0 | 111.6 | V32 K35 L39 D56 F57 L58 L62 K63 L64 | V32-E60 WeakPolarHBondContact CG1-OE1 3.45Å; K35-E60 HydrophobicContact CD-CG 4.27Å; K35-E60 WeakPolarHBondContact CE-OE2 3.28Å; K35-E60 HydrophobicContact CG-CG 4.36Å; K35-E60 IonicContact NZ-OE2 2.96Å; K35-E60 PolarHBondContact NZ-OE2 3.42Å; L39-E60 HydrophobicContact CD1-CB 4.02Å; L39-E60 HydrophobicContact CD1-CG 4.33Å; D56-E60 WeakPolarHBondContact O-CB 3.21Å; D56-E60 PolarHBondContact O-N 3.25Å; F57-E60 PolarHBondContact O-N 3.46Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E60 PolarHBondContact O-N 3.49Å; E60-L62 PolarHBondContact O-N 2.97Å; E60-K63 WeakPolarHBondContact O-CB 3.4Å; E60-K63 PolarHBondContact O-N 2.78Å; E60-K63 IonicContact OE1-NZ 3.87Å; E60-K63 IonicContact OE2-NZ 3.62Å; E60-K63 PolarHBondContact OE2-NZ 3.24Å; E60-L64 WeakPolarHBondContact O-CG 3.39Å; E60-L64 PolarHBondContact O-N 2.94Å |
| 61 | L | 58.8 | Low | 53.2 | Low | 18 Ų | 18 | 45.3 Ų | 45.3 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63 | -40 | 173.6 | -167.6 | 149.7 | 0 | 0 | 0 | 112 | F36 F57 L58 L64 K65 L303 F319 | F36-L61 HydrophobicContact CE2-CB 4.12Å; F36-L61 HydrophobicContact CE2-CD1 4.01Å; F36-L61 HydrophobicContact CE2-CG 4.22Å; F36-L61 HydrophobicContact CZ-CD1 4.47Å; F57-L61 HydrophobicContact CE1-CD1 3.65Å; F57-L61 HydrophobicContact CZ-CD1 4.06Å; F57-L61 WeakPolarHBondContact O-CB 3.49Å; F57-L61 PolarHBondContact O-N 3.35Å; L58-L61 PolarHBondContact O-N 3.17Å; L61-L64 WeakPolarHBondContact O-CB 3.32Å; L61-L64 PolarHBondContact O-N 3.45Å; L61-K65 PolarHBondContact O-N 2.86Å; L61-L303 HydrophobicContact CD1-CD1 3.84Å; L61-F319 HydrophobicContact CD2-CZ 4.28Å |
| 62 | L | 56 | Low | 52.1 | Low | 67 Ų | 67 | 48.7 Ų | 48.7 | 35% | 0.351 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 173.1 | -71.5 | 170.1 | 0 | 0 | 0 | 112.3 | L58 V59 E60 K65 S66 M320 | L58-L62 WeakPolarHBondContact O-CG 3.39Å; L58-L62 PolarHBondContact O-N 2.91Å; V59-L62 PolarHBondContact O-N 2.95Å; E60-L62 PolarHBondContact O-N 2.97Å; L62-K65 PolarHBondContact O-N 3.3Å; L62-S66 PolarHBondContact O-N 3.4Å; L62-M320 HydrophobicContact CD1-CE 3.67Å; L62-M320 HydrophobicContact CD1-SD 4.32Å; L62-M320 HydrophobicContact CD2-CB 4.3Å; L62-M320 HydrophobicContact CD2-CE 4.19Å; L62-M320 HydrophobicContact CG-CE 4.43Å |
| 63 | K | 64.5 | Low | 50.4 | Low | 88 Ų | 88 | 52.2 Ų | 52.2 | 38% | 0.383 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 175 | -71.9 | 175.6 | -170.2 | 166.2 | 0 | 111.8 | V59 E60 K65 S66 V67 | V59-K63 WeakPolarHBondContact O-CG 3.3Å; V59-K63 PolarHBondContact O-N 3.17Å; V59-K63 VanDerWaalsContact O-N 3.08Å; E60-K63 WeakPolarHBondContact O-CB 3.4Å; E60-K63 PolarHBondContact O-N 2.78Å; E60-K63 IonicContact OE1-NZ 3.87Å; E60-K63 IonicContact OE2-NZ 3.62Å; E60-K63 PolarHBondContact OE2-NZ 3.24Å; K63-K65 PolarHBondContact O-N 3.35Å; K63-S66 PolarHBondContact O-N 3.43Å; K63-S66 PolarHBondContact O-OG 2.98Å; K63-V67 PolarHBondContact O-N 3.45Å |
| 64 | L | 54.6 | Low | 48.7 | Very low | 15 Ų | 15 | 59.3 Ų | 59.3 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -53.7 | -41.7 | 174.6 | -67 | 174.9 | 0 | 0 | 0 | 111.2 | L25 V28 V32 F36 E60 L61 V67 T68 | L25-L64 HydrophobicContact CD2-CD1 4Å; L25-L64 HydrophobicContact CD2-CD2 4.34Å; V28-L64 HydrophobicContact CB-CD2 3.98Å; V28-L64 HydrophobicContact CG1-CD2 3.25Å; V28-L64 HydrophobicContact CG2-CD2 3.92Å; V32-L64 HydrophobicContact CB-CD2 4.32Å; V32-L64 HydrophobicContact CG1-CD2 3.44Å; V32-L64 VanDerWaalsContact CG1-CD2 3.44Å; V32-L64 HydrophobicContact CG1-CG 4.15Å; F36-L64 HydrophobicContact CB-CD1 4.05Å; F36-L64 HydrophobicContact CD1-CD1 4.25Å; F36-L64 HydrophobicContact CD2-CD1 3.36Å; F36-L64 HydrophobicContact CE2-CD1 3.74Å; F36-L64 HydrophobicContact CG-CD1 3.62Å; F36-L64 HydrophobicContact CZ-CD1 4.35Å; E60-L64 WeakPolarHBondContact O-CG 3.39Å; E60-L64 PolarHBondContact O-N 2.94Å; L61-L64 WeakPolarHBondContact O-CB 3.32Å; L61-L64 PolarHBondContact O-N 3.45Å; L64-V67 PolarHBondContact O-N 2.88Å; L64-T68 PolarHBondContact O-N 3.01Å |
| 65 | K | 45.1 | Very low | 47.2 | Very low | 74 Ų | 74 | 67.6 Ų | 67.6 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.7 | -33.9 | 177.3 | -162.6 | -176.8 | 175 | -163.7 | 0 | 113.2 | L61 L62 K63 V67 T68 A69 I321 N322 | L61-K65 PolarHBondContact O-N 2.86Å; L62-K65 PolarHBondContact O-N 3.3Å; K63-K65 PolarHBondContact O-N 3.35Å; K65-V67 VanDerWaalsContact C-N 3.28Å; K65-V67 PolarHBondContact O-N 3.27Å; K65-T68 WeakPolarHBondContact CA-OG1 3.35Å; K65-T68 PolarHBondContact O-N 3.31Å; K65-T68 PolarHBondContact O-OG1 3.39Å; K65-A69 WeakPolarHBondContact O-CB 3.41Å; K65-A69 PolarHBondContact O-N 3.34Å; K65-I321 HydrophobicContact CD-CD1 4.47Å; K65-I321 HydrophobicContact CD-CG1 4.26Å; K65-I321 HydrophobicContact CD-CG2 4.39Å; K65-N322 PolarHBondContact NZ-O 3.21Å |
| 66 | S | 45.9 | Very low | 45.7 | Very low | 51 Ų | 51 | 76.2 Ų | 76.2 | 36% | 0.357 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.7 | -28.4 | 176.5 | 76.9 | 0 | 0 | 0 | 0 | 113.1 | L62 K63 K70 | L62-S66 PolarHBondContact O-N 3.4Å; K63-S66 PolarHBondContact O-N 3.43Å; K63-S66 PolarHBondContact O-OG 2.98Å; S66-K70 VanDerWaalsContact O-CG 3.26Å; S66-K70 WeakPolarHBondContact O-CG 3.33Å; S66-K70 PolarHBondContact O-N 3.41Å; S66-K70 VanDerWaalsContact O-N 3.17Å |
| 67 | V | 47.4 | Very low | 43.8 | Very low | 54 Ų | 54 | 79.2 Ų | 79.2 | 33% | 0.327 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -76.7 | -38.8 | 177 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | K63 L64 K65 K70 | K63-V67 PolarHBondContact O-N 3.45Å; L64-V67 PolarHBondContact O-N 2.88Å; K65-V67 VanDerWaalsContact C-N 3.28Å; K65-V67 PolarHBondContact O-N 3.27Å; V67-K70 PolarHBondContact O-N 2.95Å |
| 68 | T | 39.1 | Very low | 41.9 | Very low | 48 Ų | 48 | 89.2 Ų | 89.2 | 29% | 0.294 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.6 | -33.2 | 173.9 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | V28 L64 K65 S71 | V28-T68 HydrophobicContact CG2-CG2 4.4Å; L64-T68 PolarHBondContact O-N 3.01Å; K65-T68 WeakPolarHBondContact CA-OG1 3.35Å; K65-T68 PolarHBondContact O-N 3.31Å; K65-T68 PolarHBondContact O-OG1 3.39Å; T68-S71 PolarHBondContact O-N 3.15Å |
| 69 | A | 33.1 | Very low | 40.4 | Very low | 51 Ų | 51 | 97.5 Ų | 97.5 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.8 | -30.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K65 S71 S72 | K65-A69 WeakPolarHBondContact O-CB 3.41Å; K65-A69 PolarHBondContact O-N 3.34Å; A69-S71 PolarHBondContact O-N 2.92Å; A69-S72 CarbonylContact O-C 3.55Å; A69-S72 VanDerWaalsContact O-C 3.25Å; A69-S72 PolarHBondContact O-N 3.37Å |
| 70 | K | 34.1 | Very low | 38.6 | Very low | 151 Ų | 151 | 102 Ų | 102 | 66% | 0.657 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9.1 | 176.1 | -79.5 | 169.8 | -175.8 | 175.5 | 0 | 114.6 | S66 V67 S72 | S66-K70 VanDerWaalsContact O-CG 3.26Å; S66-K70 WeakPolarHBondContact O-CG 3.33Å; S66-K70 PolarHBondContact O-N 3.41Å; S66-K70 VanDerWaalsContact O-N 3.17Å; V67-K70 PolarHBondContact O-N 2.95Å; K70-S72 VanDerWaalsContact C-N 3.28Å |
| 71 | S | 34.6 | Very low | 36.8 | Very low | 114 Ų | 114 | 108.8 Ų | 108.8 | 80% | 0.797 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -12.2 | 167.8 | -164.5 | 0 | 0 | 0 | 0 | 112.3 | T68 A69 | T68-S71 PolarHBondContact O-N 3.15Å; A69-S71 PolarHBondContact O-N 2.92Å |
| 72 | S | 30 | Very low | 35.2 | Very low | 83 Ų | 83 | 113.5 Ų | 113.5 | 58% | 0.58 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -133.8 | 98.7 | 172.1 | 66.6 | 0 | 0 | 0 | 0 | 110.2 | A69 K70 | A69-S72 CarbonylContact O-C 3.55Å; A69-S72 VanDerWaalsContact O-C 3.25Å; A69-S72 PolarHBondContact O-N 3.37Å; K70-S72 VanDerWaalsContact C-N 3.28Å |
| 73 | S | 24.7 | Very low | 33.8 | Very low | 114 Ų | 114 | 115.8 Ų | 115.8 | 80% | 0.797 | 64% | 0.638 | S | S | * | * | trans | 86.6 | 109.7 | 166.7 | -41.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 74 | N | 22.9 | Very low | 32.1 | Very low | 154 Ų | 154 | 119.8 Ų | 119.8 | 82% | 0.824 | 65% | 0.651 | S | S | * | * | trans | -60.9 | 160.2 | 170.8 | -88.7 | -41.8 | 0 | 0 | 0 | 113.9 | ||||
| 75 | E | 26 | Very low | 30.8 | Very low | 179 Ų | 179 | 129.3 Ų | 129.3 | 84% | 0.836 | 69% | 0.692 | S | S | * | * | trans | 90.7 | 121.3 | 160.3 | -78.8 | -175.7 | 153.3 | 0 | 0 | 120.2 | ||||
| 76 | K | 24.6 | Very low | 29.8 | Very low | 195 Ų | 195 | 131 Ų | 131 | 85% | 0.848 | 71% | 0.708 | S | S | * | * | trans | 82.9 | 68.9 | 164.3 | -59.5 | -177.7 | -178.5 | 178 | 0 | 119.1 | ||||
| 77 | V | 26.6 | Very low | 28.8 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 79% | 0.788 | 73% | 0.731 | S | S | * | * | trans | -142.3 | 78.7 | 143.5 | -169.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 78 | K | 24.3 | Very low | 27.7 | Very low | 210 Ų | 210 | 142 Ų | 142 | 91% | 0.913 | 75% | 0.754 | S | S | * | * | trans | -123.2 | 62.9 | 166.8 | -88.4 | -169.6 | 176.5 | 179.4 | 0 | 108.5 | ||||
| 79 | E | 25.1 | Very low | 27.1 | Very low | 186 Ų | 186 | 146 Ų | 146 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -162.5 | 41.6 | 169.4 | -131.5 | 172.9 | -168.1 | 0 | 0 | 115.2 | ||||
| 80 | I | 26.6 | Very low | 26.6 | Very low | 152 Ų | 152 | 148.1 Ų | 148.1 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -144.1 | 55.4 | 166.4 | -43.1 | 174.1 | 0 | 0 | 0 | 110.5 | ||||
| 81 | V | 28 | Very low | 26 | Very low | 151 Ų | 151 | 151 Ų | 151 | 92% | 0.915 | 79% | 0.794 | S | S | * | * | trans | -142.7 | 63.8 | 162.5 | -167.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 82 | S | 26.3 | Very low | 25.6 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -153.7 | 80.7 | 160.7 | -162 | 0 | 0 | 0 | 0 | 109.3 | ||
| 83 | S | 26.3 | Very low | 25.3 | Very low | 115 Ų | 115 | 155.7 Ų | 155.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 163.6 | 101.8 | 151.1 | -79.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 84 | R | 28.7 | Very low | 25.2 | Very low | 172 Ų | 172 | 158.6 Ų | 158.6 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | trans | -167.3 | 105.6 | 148.3 | -106 | 166.7 | -156.6 | -155.8 | 8.3 | 109.5 | V86 | R84-V86 PolarHBondContact O-N 2.66Š| ||
| 85 | K | 26.9 | Very low | 25.3 | Very low | 215 Ų | 215 | 156.5 Ų | 156.5 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | trans | -72.6 | 114.5 | 162.4 | -76.4 | 177.7 | 176.5 | 176.9 | 0 | 107.1 | ||||
| 86 | V | 25.2 | Very low | 25.2 | Very low | 110 Ų | 110 | 157.5 Ų | 157.5 | 67% | 0.667 | 81% | 0.814 | S | S | * | * | trans | -78 | 118.5 | 174.2 | 177.8 | 0 | 0 | 0 | 0 | 107.7 | R84 | R84-V86 PolarHBondContact O-N 2.66Š| ||
| 87 | L | 23.7 | Very low | 25.2 | Very low | 162 Ų | 162 | 154.3 Ų | 154.3 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -108.2 | 125.4 | 171 | -153.2 | 79.7 | 0 | 0 | 0 | 109.3 | ||||
| 88 | H | 24.4 | Very low | 25 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 80% | 0.801 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 127.3 | -174.4 | -79 | -96.2 | 0 | 0 | 0 | 112.6 | ||
| 89 | Y | 26.3 | Very low | 25.2 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 53% | 0.525 | 81% | 0.81 | S | S | . | * | P | Polyproline II helix | trans | -72.4 | 120.1 | 167.3 | -89.1 | -91.7 | 0 | 0 | 0 | 111.1 | ||
| 90 | A | 23.4 | Very low | 25 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 132.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | A92 | A90-A92 PolarHBondContact O-N 3.17Å; A90-A92 VanDerWaalsContact O-N 3.08Å |
| 91 | K | 21.2 | Very low | 24.9 | Very low | 211 Ų | 211 | 141.7 Ų | 141.7 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -50.5 | 105 | 178.8 | -72 | 169.2 | 173.2 | 169.5 | 0 | 112.4 | ||||
| 92 | A | 26.9 | Very low | 24.9 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -83.8 | 114.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | A90 | A90-A92 PolarHBondContact O-N 3.17Å; A90-A92 VanDerWaalsContact O-N 3.08Å | ||
| 93 | K | 23.8 | Very low | 24.9 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | -65.8 | 144.7 | 175.2 | -72.1 | 175.5 | 175.5 | 176.3 | 0 | 110.5 | S95 | K93-S95 PolarHBondContact O-N 3.28Š| ||
| 94 | N | 22.6 | Very low | 24.7 | Very low | 174 Ų | 174 | 143 Ų | 143 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | trans | -24.5 | 113.8 | 166.5 | -85 | -11.8 | 0 | 0 | 0 | 114 | ||||
| 95 | S | 24.9 | Very low | 24.7 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -138.1 | 117.1 | 148.3 | 44.7 | 0 | 0 | 0 | 0 | 107.6 | K93 | K93-S95 PolarHBondContact O-N 3.28Š| ||
| 96 | K | 24.1 | Very low | 24.4 | Very low | 201 Ų | 201 | 141.7 Ų | 141.7 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -56 | 134.8 | 166.7 | -81.2 | 174.8 | 170.9 | 177.8 | 0 | 107.7 | A98 | K96-A98 VanDerWaalsContact C-N 3.34Å; K96-A98 PolarHBondContact O-N 3.1Å | ||
| 97 | P | 24.8 | Very low | 24.3 | Very low | 127 Ų | 127 | 140 Ų | 140 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -73.2 | 94.1 | 171.7 | 29.1 | -29.8 | 0 | 0 | 0 | 108 | A99 | P97-A99 PolarHBondContact O-N 3.28Š| ||
| 98 | A | 22.6 | Very low | 24.3 | Very low | 94 Ų | 94 | 141.9 Ų | 141.9 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | -70.6 | 104.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | K96 G100 | K96-A98 VanDerWaalsContact C-N 3.34Å; K96-A98 PolarHBondContact O-N 3.1Å; A98-G100 PolarHBondContact O-N 2.95Å | ||
| 99 | A | 26.8 | Very low | 24.4 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -63.2 | 84.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | P97 I101 | P97-A99 PolarHBondContact O-N 3.28Å; A99-I101 PolarHBondContact O-N 2.85Å | ||
| 100 | G | 21.7 | Very low | 24.6 | Very low | 62 Ų | 62 | 141.9 Ų | 141.9 | 64% | 0.639 | 82% | 0.819 | S | S | * | * | trans | -67.2 | 120.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | A98 | A98-G100 PolarHBondContact O-N 2.95Š| ||
| 101 | I | 25.2 | Very low | 24.7 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | -44.9 | 126.8 | 154.4 | -60.2 | 163.1 | 0 | 0 | 0 | 106.7 | A99 | A99-I101 PolarHBondContact O-N 2.85Š| ||
| 102 | P | 26.2 | Very low | 25 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | trans | -58.3 | 130.1 | 173.4 | -16.6 | 28.5 | 0 | 0 | 0 | 108.3 | ||||
| 103 | P | 26.5 | Very low | 25 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -66.9 | 143.4 | -175.9 | 28.8 | -32.4 | 0 | 0 | 0 | 110.3 | ||||
| 104 | E | 23.7 | Very low | 25.1 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | 3.9 | 116.8 | 157.7 | -123 | 155.3 | 173.6 | 0 | 0 | 116.6 | E106 | E104-E106 VanDerWaalsContact C-N 3.34Å; E104-E106 PolarHBondContact O-N 2.93Å | ||
| 105 | L | 28 | Very low | 25.4 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | trans | -66.6 | 81.5 | 177.8 | -71.9 | 158.4 | 0 | 0 | 0 | 111.5 | ||||
| 106 | E | 20.9 | Very low | 25.5 | Very low | 189 Ų | 189 | 129 Ų | 129 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -122.9 | 97.9 | 161.7 | -71.4 | -160.5 | 158.8 | 0 | 0 | 110.1 | E104 | E104-E106 VanDerWaalsContact C-N 3.34Å; E104-E106 PolarHBondContact O-N 2.93Å | ||
| 107 | G | 22.3 | Very low | 25.9 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -179.2 | 58.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 108 | K | 24.7 | Very low | 26.4 | Very low | 201 Ų | 201 | 128 Ų | 128 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | 30.4 | 102.6 | 150.9 | -68.2 | 176.3 | 178.5 | 172.8 | 0 | 118.8 | ||||
| 109 | S | 26.9 | Very low | 27.1 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | 22.2 | 104.2 | 124.4 | -159.5 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 110 | K | 28.7 | Very low | 28 | Very low | 198 Ų | 198 | 129.9 Ų | 129.9 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -166.9 | -7.2 | 139.1 | -107.1 | 176.8 | -174.6 | -172.4 | 0 | 114.9 | ||
| 111 | A | 25.6 | Very low | 28.9 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -89.1 | -1.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A113 | A111-A113 VanDerWaalsContact C-N 3.32Å; A111-A113 PolarHBondContact O-N 2.8Å |
| 112 | A | 27 | Very low | 30.3 | Very low | 86 Ų | 86 | 133 Ų | 133 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -83.3 | -0.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 113 | A | 27.2 | Very low | 31.9 | Very low | 91 Ų | 91 | 131.7 Ų | 131.7 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -93.5 | -13.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A111 | A111-A113 VanDerWaalsContact C-N 3.32Å; A111-A113 PolarHBondContact O-N 2.8Å |
| 114 | E | 25.6 | Very low | 33.9 | Very low | 194 Ų | 194 | 130.6 Ų | 130.6 | 91% | 0.907 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -119.7 | -1 | -175.6 | -71.2 | -173.1 | 165.1 | 0 | 0 | 115.1 | G116 | E114-G116 PolarHBondContact O-N 3.36Š|
| 115 | A | 28.7 | Very low | 36.1 | Very low | 85 Ų | 85 | 127.3 Ų | 127.3 | 70% | 0.702 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -84.3 | 100.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q117 | A115-Q117 PolarHBondContact O-N 2.73Š|
| 116 | G | 28.2 | Very low | 38.1 | Very low | 60 Ų | 60 | 124.7 Ų | 124.7 | 62% | 0.619 | 69% | 0.693 | S | S | * | * | trans | -40 | 133.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E114 L118 | E114-G116 PolarHBondContact O-N 3.36Å; G116-L118 VanDerWaalsContact C-N 3.34Å; G116-L118 PolarHBondContact O-N 3.01Å | ||
| 117 | Q | 31.7 | Very low | 40.4 | Very low | 196 Ų | 196 | 118.1 Ų | 118.1 | 92% | 0.916 | 66% | 0.662 | S | S | * | * | trans | -43.9 | 90.1 | 171.8 | -159.1 | 97.1 | 4 | 0 | 0 | 110.7 | A115 D119 | A115-Q117 PolarHBondContact O-N 2.73Å; Q117-D119 PolarHBondContact O-N 3.33Å | ||
| 118 | L | 36.4 | Very low | 42.9 | Very low | 111 Ų | 111 | 120.2 Ų | 120.2 | 58% | 0.581 | 65% | 0.647 | S | S | * | * | trans | -70.8 | 114.8 | 174.6 | -75.7 | 161.1 | 0 | 0 | 0 | 107.5 | G116 F120 | G116-L118 VanDerWaalsContact C-N 3.34Å; G116-L118 PolarHBondContact O-N 3.01Å; L118-F120 HydrophobicContact CB-CE2 4.39Å; L118-F120 WeakPolarHBondContact O-CD2 3.22Å; L118-F120 PolarHBondContact O-N 3.23Å | ||
| 119 | D | 36.6 | Very low | 45.4 | Very low | 136 Ų | 136 | 115.6 Ų | 115.6 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | trans | -68.1 | 88.9 | -172.7 | -162 | 11.8 | 0 | 0 | 0 | 111.2 | Q117 R121 | Q117-D119 PolarHBondContact O-N 3.33Å; D119-R121 PolarHBondContact O-N 3.41Å | ||
| 120 | F | 45.5 | Very low | 47.7 | Very low | 101 Ų | 101 | 111.3 Ų | 111.3 | 44% | 0.443 | 60% | 0.597 | S | S | . | * | trans | -73.1 | 52.7 | 176.8 | -76.8 | -82.9 | 0 | 0 | 0 | 112.6 | L118 M122 F173 | L118-F120 HydrophobicContact CB-CE2 4.39Å; L118-F120 WeakPolarHBondContact O-CD2 3.22Å; L118-F120 PolarHBondContact O-N 3.23Å; F120-M122 PolarHBondContact O-N 3.32Å; F120-F173 HydrophobicContact CE1-CZ 4.39Å; F120-F173 HydrophobicContact CZ-CE2 4.49Å; F120-F173 HydrophobicContact CZ-CZ 4.28Å | ||
| 121 | R | 41.8 | Very low | 50.1 | Low | 215 Ų | 215 | 102.2 Ų | 102.2 | 81% | 0.811 | 56% | 0.558 | S | S | * | * | trans | -80.6 | 14 | 164.5 | -66.3 | -173.6 | 78.3 | 106.4 | 0.4 | 112.9 | D119 | D119-R121 PolarHBondContact O-N 3.41Š| ||
| 122 | M | 53.4 | Low | 52.7 | Low | 65 Ų | 65 | 99.5 Ų | 99.5 | 32% | 0.32 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -77.8 | 129.2 | 170.2 | -75.3 | -64.6 | 113.7 | 0 | 0 | 109.6 | F120 L170 | F120-M122 PolarHBondContact O-N 3.32Å; M122-L170 HydrophobicContact CG-CD1 4.45Å; M122-L170 HydrophobicContact CG-CD2 4.28Å; M122-L170 HydrophobicContact SD-CD1 4.13Å |
| 123 | N | 61 | Low | 55.3 | Low | 73 Ų | 73 | 95.6 Ų | 95.6 | 39% | 0.39 | 50% | 0.5 | S | S | . | . | trans | -48.1 | 124.7 | 173.7 | -172.1 | 2.6 | 0 | 0 | 0 | 108.8 | E125 K126 Q127 | N123-E125 PolarHBondContact ND2-OE2 3.22Å; N123-E125 PolarHBondContact O-N 2.7Å; N123-K126 HydrophobicContact CB-CB 4.46Å; N123-K126 HydrophobicContact CB-CD 4.45Å; N123-K126 HydrophobicContact CB-CG 4.23Å; N123-K126 WeakPolarHBondContact O-CA 3.42Å; N123-K126 WeakPolarHBondContact O-CB 3.4Å; N123-K126 PolarHBondContact O-N 3.12Å; N123-Q127 PolarHBondContact O-N 3.08Å | ||
| 124 | P | 66.7 | Low | 58 | Low | 98 Ų | 98 | 91.5 Ų | 91.5 | 64% | 0.636 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -52 | -30.4 | -179.3 | 18.9 | -34.1 | 0 | 0 | 0 | 112.6 | Q127 R128 | P124-Q127 PolarHBondContact O-N 3.08Å; P124-R128 WeakPolarHBondContact O-CB 3.41Å; P124-R128 PolarHBondContact O-N 3.23Å |
| 125 | E | 70 | Confident | 60.8 | Low | 119 Ų | 119 | 82.3 Ų | 82.3 | 56% | 0.556 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 173.9 | -61.1 | 177.2 | 153.1 | 0 | 0 | 113 | N123 R128 Q129 | N123-E125 PolarHBondContact ND2-OE2 3.22Å; N123-E125 PolarHBondContact O-N 2.7Å; E125-R128 PolarHBondContact O-N 3.33Å; E125-Q129 PolarHBondContact O-N 2.63Å |
| 126 | K | 70.6 | Confident | 63.4 | Low | 118 Ų | 118 | 81.3 Ų | 81.3 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.6 | -40.2 | 176.8 | -72.9 | -174.6 | 177.1 | -177.5 | 0 | 111.3 | N123 R128 Q129 I130 | N123-K126 HydrophobicContact CB-CB 4.46Å; N123-K126 HydrophobicContact CB-CD 4.45Å; N123-K126 HydrophobicContact CB-CG 4.23Å; N123-K126 WeakPolarHBondContact O-CA 3.42Å; N123-K126 WeakPolarHBondContact O-CB 3.4Å; N123-K126 PolarHBondContact O-N 3.12Å; K126-R128 VanDerWaalsContact C-N 3.32Å; K126-R128 PolarHBondContact O-N 3.37Å; K126-Q129 PolarHBondContact O-N 2.9Å; K126-I130 VanDerWaalsContact O-CG1 3.3Å; K126-I130 WeakPolarHBondContact O-CG1 3.39Å; K126-I130 PolarHBondContact O-N 3.4Å |
| 127 | Q | 70.2 | Confident | 66 | Low | 50 Ų | 50 | 78.5 Ų | 78.5 | 23% | 0.234 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 175.5 | -179.1 | 177.7 | -8.2 | 0 | 0 | 110.9 | N123 P124 Q129 I130 I131 | N123-Q127 PolarHBondContact O-N 3.08Å; P124-Q127 PolarHBondContact O-N 3.08Å; Q127-Q129 VanDerWaalsContact C-N 3.33Å; Q127-Q129 PolarHBondContact O-N 2.99Å; Q127-I130 PolarHBondContact O-N 3.21Å; Q127-I131 HydrophobicContact CG-CD1 4.04Å; Q127-I131 WeakPolarHBondContact O-CG1 3.28Å; Q127-I131 PolarHBondContact O-N 3.28Å |
| 128 | R | 73.4 | Confident | 68.6 | Low | 120 Ų | 120 | 69.2 Ų | 69.2 | 45% | 0.453 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 175.7 | -169.9 | 177.2 | 66.5 | -161.6 | -1.4 | 111.9 | P124 E125 K126 I131 S132 L226 | P124-R128 WeakPolarHBondContact O-CB 3.41Å; P124-R128 PolarHBondContact O-N 3.23Å; E125-R128 PolarHBondContact O-N 3.33Å; K126-R128 VanDerWaalsContact C-N 3.32Å; K126-R128 PolarHBondContact O-N 3.37Å; R128-I131 PolarHBondContact O-N 3.15Å; R128-S132 WeakPolarHBondContact O-CB 3.45Å; R128-S132 PolarHBondContact O-N 3.01Å; R128-L226 HydrophobicContact CG-CD1 3.88Å; R128-L226 HydrophobicContact CG-CD2 4.48Å; R128-L226 HydrophobicContact CG-CG 4.15Å |
| 129 | Q | 77.2 | Confident | 70.8 | Confident | 103 Ų | 103 | 66 Ų | 66 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62 | -46 | 175.3 | -173 | 171.9 | 4.4 | 0 | 0 | 111.7 | E125 K126 Q127 I131 S132 D133 S145 | E125-Q129 PolarHBondContact O-N 2.63Å; K126-Q129 PolarHBondContact O-N 2.9Å; Q127-Q129 VanDerWaalsContact C-N 3.33Å; Q127-Q129 PolarHBondContact O-N 2.99Å; Q129-I131 PolarHBondContact O-N 3.5Å; Q129-S132 VanDerWaalsContact O-CB 3.31Å; Q129-S132 WeakPolarHBondContact O-CB 3.4Å; Q129-S132 PolarHBondContact O-N 3.03Å; Q129-S132 VanDerWaalsContact O-N 3.17Å; Q129-D133 PolarHBondContact O-N 3.2Å; Q129-S145 WeakPolarHBondContact CG-OG 3.37Å; Q129-S145 PolarHBondContact NE2-OG 2.97Å |
| 130 | I | 75.6 | Confident | 72.5 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 10% | 0.097 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 176.9 | -68.7 | 165.9 | 0 | 0 | 0 | 111.4 | K126 Q127 S132 D133 L134 L147 F148 L170 I174 | K126-I130 VanDerWaalsContact O-CG1 3.3Å; K126-I130 WeakPolarHBondContact O-CG1 3.39Å; K126-I130 PolarHBondContact O-N 3.4Å; Q127-I130 PolarHBondContact O-N 3.21Å; I130-S132 VanDerWaalsContact C-N 3.31Å; I130-S132 PolarHBondContact O-N 2.86Å; I130-D133 PolarHBondContact O-N 3.47Å; I130-L134 WeakPolarHBondContact O-CB 3.46Å; I130-L134 PolarHBondContact O-N 3.23Å; I130-L147 HydrophobicContact CG1-CD1 4.24Å; I130-F148 HydrophobicContact CG2-CE2 4.5Å; I130-L170 HydrophobicContact CD1-CD1 4.28Å; I130-L170 HydrophobicContact CD1-CD2 4.32Å; I130-I174 HydrophobicContact CG2-CD1 3.47Å; I130-I174 VanDerWaalsContact CG2-CD1 3.47Å; I130-I174 HydrophobicContact CG2-CG1 4.23Å |
| 131 | I | 79.8 | Confident | 73.9 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 177.1 | -65.5 | 170 | 0 | 0 | 0 | 110.1 | Q127 R128 Q129 D133 L134 L135 L226 L231 L236 | Q127-I131 HydrophobicContact CG-CD1 4.04Å; Q127-I131 WeakPolarHBondContact O-CG1 3.28Å; Q127-I131 PolarHBondContact O-N 3.28Å; R128-I131 PolarHBondContact O-N 3.15Å; Q129-I131 PolarHBondContact O-N 3.5Å; I131-D133 PolarHBondContact O-N 3.23Å; I131-L134 WeakPolarHBondContact O-CB 3.35Å; I131-L134 PolarHBondContact O-N 2.89Å; I131-L135 HydrophobicContact CG2-CD1 4.37Å; I131-L135 HydrophobicContact CG2-CG 4.36Å; I131-L135 VanDerWaalsContact O-CG 3.28Å; I131-L135 WeakPolarHBondContact O-CG 3.35Å; I131-L135 PolarHBondContact O-N 3.45Å; I131-L226 HydrophobicContact CB-CD1 4.1Å; I131-L226 HydrophobicContact CG2-CD1 3.76Å; I131-L226 HydrophobicContact CG2-CD2 4.11Å; I131-L231 HydrophobicContact CG2-CD2 3.82Å; I131-L236 HydrophobicContact CG2-CD2 4.35Å |
| 132 | S | 80.8 | Confident | 75.1 | Confident | 44 Ų | 44 | 51.3 Ų | 51.3 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.1 | -47.7 | 174.9 | -169.3 | 0 | 0 | 0 | 0 | 111.9 | R128 Q129 I130 L134 L135 Y136 | R128-S132 WeakPolarHBondContact O-CB 3.45Å; R128-S132 PolarHBondContact O-N 3.01Å; Q129-S132 VanDerWaalsContact O-CB 3.31Å; Q129-S132 WeakPolarHBondContact O-CB 3.4Å; Q129-S132 PolarHBondContact O-N 3.03Å; Q129-S132 VanDerWaalsContact O-N 3.17Å; I130-S132 VanDerWaalsContact C-N 3.31Å; I130-S132 PolarHBondContact O-N 2.86Å; S132-L134 VanDerWaalsContact C-N 3.33Å; S132-L134 PolarHBondContact O-N 3.25Å; S132-L135 WeakPolarHBondContact O-CB 3.5Å; S132-L135 PolarHBondContact O-N 2.86Å; S132-Y136 VanDerWaalsContact O-CD2 3.28Å; S132-Y136 WeakPolarHBondContact O-CD2 3.44Å; S132-Y136 PolarHBondContact O-N 3.44Å; S132-Y136 VanDerWaalsContact O-N 3.15Å |
| 133 | D | 81.7 | Confident | 75.4 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.1 | -37.2 | 176.7 | -65 | -43.4 | 0 | 0 | 0 | 112.6 | Q129 I130 I131 L135 Y136 C137 E144 S145 F148 | Q129-D133 PolarHBondContact O-N 3.2Å; I130-D133 PolarHBondContact O-N 3.47Å; I131-D133 PolarHBondContact O-N 3.23Å; D133-L135 VanDerWaalsContact C-N 3.33Å; D133-L135 PolarHBondContact O-N 3.37Å; D133-Y136 WeakPolarHBondContact O-CB 3.38Å; D133-Y136 PolarHBondContact O-N 3.41Å; D133-C137 PolarHBondContact O-N 2.82Å; D133-C137 PolarHBondContact O-SG 3.1Å; D133-E144 PolarHBondContact OD1-N 3.28Å; D133-S145 VanDerWaalsContact CG-OG 3.29Å; D133-S145 PolarHBondContact OD1-N 3.24Å; D133-S145 VanDerWaalsContact OD1-N 3.12Å; D133-S145 PolarHBondContact OD1-OG 3.12Å; D133-S145 WeakPolarHBondContact OD2-CB 3.47Å; D133-S145 PolarHBondContact OD2-OG 3.5Å; D133-F148 HydrophobicContact CB-CD2 4.24Å |
| 134 | L | 83.4 | Confident | 75 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 174.9 | 179.4 | 60.7 | 0 | 0 | 0 | 111.7 | I130 I131 S132 Y136 C137 L138 I174 F177 L236 | I130-L134 WeakPolarHBondContact O-CB 3.46Å; I130-L134 PolarHBondContact O-N 3.23Å; I131-L134 WeakPolarHBondContact O-CB 3.35Å; I131-L134 PolarHBondContact O-N 2.89Å; S132-L134 VanDerWaalsContact C-N 3.33Å; S132-L134 PolarHBondContact O-N 3.25Å; L134-Y136 VanDerWaalsContact C-N 3.31Å; L134-Y136 PolarHBondContact O-N 3.31Å; L134-C137 WeakPolarHBondContact O-CB 3.26Å; L134-C137 PolarHBondContact O-N 3.27Å; L134-L138 HydrophobicContact CG-CD1 4.36Å; L134-L138 WeakPolarHBondContact O-CG 3.42Å; L134-L138 PolarHBondContact O-N 3Å; L134-I174 HydrophobicContact CD1-CG2 4.21Å; L134-F177 HydrophobicContact CD1-CB 3.64Å; L134-F177 HydrophobicContact CD1-CD1 3.86Å; L134-F177 HydrophobicContact CD1-CG 3.81Å; L134-F177 HydrophobicContact CD2-CD1 3.61Å; L134-F177 HydrophobicContact CD2-CD2 4.23Å; L134-F177 HydrophobicContact CD2-CE1 3.76Å; L134-F177 HydrophobicContact CD2-CE2 4.4Å; L134-F177 HydrophobicContact CD2-CG 3.87Å; L134-F177 HydrophobicContact CD2-CZ 4.14Å; L134-F177 HydrophobicContact CG-CD1 4.03Å; L134-F177 HydrophobicContact CG-CG 4.35Å; L134-L236 HydrophobicContact CD2-CD2 3.9Å; L134-L236 HydrophobicContact CG-CD2 4.49Å |
| 135 | L | 84.4 | Confident | 74.3 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.7 | -34.8 | 174.9 | -69.8 | 177.5 | 0 | 0 | 0 | 112 | I131 S132 D133 L138 Q139 W222 R223 L226 L231 L236 | I131-L135 HydrophobicContact CG2-CD1 4.37Å; I131-L135 HydrophobicContact CG2-CG 4.36Å; I131-L135 VanDerWaalsContact O-CG 3.28Å; I131-L135 WeakPolarHBondContact O-CG 3.35Å; I131-L135 PolarHBondContact O-N 3.45Å; S132-L135 WeakPolarHBondContact O-CB 3.5Å; S132-L135 PolarHBondContact O-N 2.86Å; D133-L135 VanDerWaalsContact C-N 3.33Å; D133-L135 PolarHBondContact O-N 3.37Å; L135-L138 HydrophobicContact CD2-CD1 4.44Å; L135-Q139 WeakPolarHBondContact O-CG 3.49Å; L135-Q139 PolarHBondContact O-N 2.93Å; L135-Q139 PolarHBondContact O-NE2 3.45Å; L135-W222 HydrophobicContact CD1-CB 4.3Å; L135-W222 HydrophobicContact CD2-CB 3.6Å; L135-W222 HydrophobicContact CD2-CD2 4.24Å; L135-W222 HydrophobicContact CD2-CE3 3.72Å; L135-W222 HydrophobicContact CD2-CG 4.25Å; L135-R223 HydrophobicContact CD1-CG 3.89Å; L135-L226 HydrophobicContact CD1-CB 4.44Å; L135-L226 HydrophobicContact CD1-CD2 3.87Å; L135-L231 HydrophobicContact CD1-CD2 4.22Å; L135-L236 HydrophobicContact CD2-CD1 3.98Å; L135-L236 HydrophobicContact CD2-CD2 4.23Å |
| 136 | Y | 83.4 | Confident | 73.3 | Confident | 64 Ų | 64 | 48.6 Ų | 48.6 | 25% | 0.251 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.3 | -44.8 | 170.2 | -77.8 | -67.3 | 0 | 0 | 0 | 111.6 | S132 D133 L134 L138 Q139 G140 A141 E144 | S132-Y136 VanDerWaalsContact O-CD2 3.28Å; S132-Y136 WeakPolarHBondContact O-CD2 3.44Å; S132-Y136 PolarHBondContact O-N 3.44Å; S132-Y136 VanDerWaalsContact O-N 3.15Å; D133-Y136 WeakPolarHBondContact O-CB 3.38Å; D133-Y136 PolarHBondContact O-N 3.41Å; L134-Y136 VanDerWaalsContact C-N 3.31Å; L134-Y136 PolarHBondContact O-N 3.31Å; Y136-L138 VanDerWaalsContact C-N 3.31Å; Y136-L138 PolarHBondContact O-N 3.08Å; Y136-Q139 WeakPolarHBondContact O-CA 3.49Å; Y136-Q139 WeakPolarHBondContact O-CB 3.4Å; Y136-Q139 PolarHBondContact O-N 2.95Å; Y136-G140 PolarHBondContact O-N 3.42Å; Y136-A141 CarbonylContact C-O 3.1Å; Y136-A141 PolarHBondContact O-N 3.44Å; Y136-A141 VanDerWaalsContact O-N 3.08Å; Y136-E144 PolarHBondContact OH-OE1 3.44Å |
| 137 | C | 82.9 | Confident | 72.3 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.4 | -39.8 | 177 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | D133 L134 Q139 G140 A141 F150 C181 | D133-C137 PolarHBondContact O-N 2.82Å; D133-C137 PolarHBondContact O-SG 3.1Å; L134-C137 WeakPolarHBondContact O-CB 3.26Å; L134-C137 PolarHBondContact O-N 3.27Å; C137-Q139 PolarHBondContact O-N 2.95Å; C137-G140 PolarHBondContact O-N 3.02Å; C137-A141 WeakPolarHBondContact CA-O 3.4Å; C137-A141 PolarHBondContact N-O 2.9Å; C137-F150 HydrophobicContact CB-CZ 4.19Å; C137-C181 HydrophobicContact CB-CB 4.45Å |
| 138 | L | 84.7 | Confident | 71.6 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -17 | 176 | -74.9 | 170.9 | 0 | 0 | 0 | 113.4 | L134 L135 Y136 F177 V180 H215 W222 L236 L240 | L134-L138 HydrophobicContact CG-CD1 4.36Å; L134-L138 WeakPolarHBondContact O-CG 3.42Å; L134-L138 PolarHBondContact O-N 3Å; L135-L138 HydrophobicContact CD2-CD1 4.44Å; Y136-L138 VanDerWaalsContact C-N 3.31Å; Y136-L138 PolarHBondContact O-N 3.08Å; L138-F177 HydrophobicContact CD1-CD1 4.33Å; L138-V180 HydrophobicContact CD2-CG1 4.45Å; L138-H215 PolarHBondContact O-NE2 2.92Å; L138-W222 HydrophobicContact CD1-CE3 4.41Å; L138-W222 HydrophobicContact CD1-CZ3 4Å; L138-L236 HydrophobicContact CD1-CD1 4.46Å; L138-L236 HydrophobicContact CD1-CD2 4.45Å; L138-L240 HydrophobicContact CD2-CD1 3.74Å; L138-L240 HydrophobicContact CD2-CD2 4Å |
| 139 | Q | 83.2 | Confident | 70.7 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -0.5 | 172 | -66.8 | 162.8 | 47.3 | 0 | 0 | 112.5 | L135 Y136 C137 L216 R223 | L135-Q139 WeakPolarHBondContact O-CG 3.49Å; L135-Q139 PolarHBondContact O-N 2.93Å; L135-Q139 PolarHBondContact O-NE2 3.45Å; Y136-Q139 WeakPolarHBondContact O-CA 3.49Å; Y136-Q139 WeakPolarHBondContact O-CB 3.4Å; Y136-Q139 PolarHBondContact O-N 2.95Å; C137-Q139 PolarHBondContact O-N 2.95Å; Q139-L216 HydrophobicContact CB-CD2 4.07Å; Q139-L216 HydrophobicContact CG-CD2 3.89Å; Q139-R223 VanDerWaalsContact CD-NH2 3.26Å; Q139-R223 VanDerWaalsContact NE2-NH2 3.14Å |
| 140 | G | 72.5 | Confident | 69.7 | Low | 23 Ų | 23 | 37.1 Ų | 37.1 | 24% | 0.237 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 5.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y136 C137 | Y136-G140 PolarHBondContact O-N 3.42Å; C137-G140 PolarHBondContact O-N 3.02Å |
| 141 | A | 74.4 | Confident | 68.8 | Low | 43 Ų | 43 | 37.5 Ų | 37.5 | 36% | 0.355 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -102 | 148.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y136 C137 | Y136-A141 CarbonylContact C-O 3.1Å; Y136-A141 PolarHBondContact O-N 3.44Å; Y136-A141 VanDerWaalsContact O-N 3.08Å; C137-A141 WeakPolarHBondContact CA-O 3.4Å; C137-A141 PolarHBondContact N-O 2.9Å |
| 142 | T | 68 | Low | 67.5 | Low | 78 Ų | 78 | 45.6 Ų | 45.6 | 48% | 0.479 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -70.2 | 132.5 | 168.2 | 48.6 | 0 | 0 | 0 | 0 | 109.6 | F150 | T142-F150 HydrophobicContact CG2-CD2 3.56Å; T142-F150 HydrophobicContact CG2-CE2 4.27Å; T142-F150 HydrophobicContact CG2-CG 4.47Å |
| 143 | G | 58.6 | Low | 65.8 | Low | 9 Ų | 9 | 49.1 Ų | 49.1 | 9% | 0.093 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 157.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S145 | G143-S145 VanDerWaalsContact C-N 3.34Š|
| 144 | E | 54.3 | Low | 64.2 | Low | 152 Ų | 152 | 52.8 Ų | 52.8 | 71% | 0.71 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -69 | -34.1 | 179.1 | -68.7 | 170 | -152.6 | 0 | 0 | 111.4 | D133 Y136 L146 | D133-E144 PolarHBondContact OD1-N 3.28Å; Y136-E144 PolarHBondContact OH-OE1 3.44Å; E144-L146 PolarHBondContact O-N 2.93Å |
| 145 | S | 50.6 | Low | 62.6 | Low | 20 Ų | 20 | 60.2 Ų | 60.2 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -77.4 | 119.3 | 171.1 | -32.3 | 0 | 0 | 0 | 0 | 108.8 | Q129 D133 G143 L147 | Q129-S145 WeakPolarHBondContact CG-OG 3.37Å; Q129-S145 PolarHBondContact NE2-OG 2.97Å; D133-S145 VanDerWaalsContact CG-OG 3.29Å; D133-S145 PolarHBondContact OD1-N 3.24Å; D133-S145 VanDerWaalsContact OD1-N 3.12Å; D133-S145 PolarHBondContact OD1-OG 3.12Å; D133-S145 WeakPolarHBondContact OD2-CB 3.47Å; D133-S145 PolarHBondContact OD2-OG 3.5Å; G143-S145 VanDerWaalsContact C-N 3.34Å; S145-L147 PolarHBondContact O-N 3.18Å |
| 146 | L | 48.7 | Very low | 60.7 | Low | 117 Ų | 117 | 63.5 Ų | 63.5 | 61% | 0.613 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 13.1 | 179 | -65.7 | 159.2 | 0 | 0 | 0 | 115.6 | E144 F148 H163 | E144-L146 PolarHBondContact O-N 2.93Å; L146-F148 PolarHBondContact O-N 3.16Å; L146-H163 PolarHBondContact O-CD2 3.02Å |
| 147 | L | 50 | Low | 58.9 | Low | 35 Ų | 35 | 69.2 Ų | 69.2 | 18% | 0.183 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -29.9 | 178.8 | -62.8 | 178.1 | 0 | 0 | 0 | 112 | I130 S145 H163 S165 | I130-L147 HydrophobicContact CG1-CD1 4.24Å; S145-L147 PolarHBondContact O-N 3.18Å; L147-H163 PolarHBondContact O-N 2.81Å; L147-H163 VanDerWaalsContact O-N 3.09Å; L147-S165 WeakPolarHBondContact CD2-OG 3.35Å |
| 148 | F | 55.5 | Low | 57.3 | Low | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.018 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 102.6 | -168.2 | -58.1 | -46.4 | 0 | 0 | 0 | 110.9 | I130 D133 L146 F160 I162 I174 F178 | I130-F148 HydrophobicContact CG2-CE2 4.5Å; D133-F148 HydrophobicContact CB-CD2 4.24Å; L146-F148 PolarHBondContact O-N 3.16Å; F148-F160 HydrophobicContact CB-CE1 3.78Å; F148-F160 HydrophobicContact CB-CE2 4.27Å; F148-F160 HydrophobicContact CB-CZ 3.39Å; F148-F160 HydrophobicContact CD1-CD1 4.45Å; F148-F160 AromaticContact CD1-CE1 3.3Å; F148-F160 HydrophobicContact CD1-CE1 3.3Å; F148-F160 AromaticContact CD1-CZ 3.73Å; F148-F160 HydrophobicContact CD1-CZ 3.73Å; F148-F160 HydrophobicContact CE1-CE1 4.21Å; F148-F160 AromaticContact CG-CE1 3.76Å; F148-F160 HydrophobicContact CG-CE1 3.76Å; F148-F160 AromaticContact CG-CZ 3.66Å; F148-F160 HydrophobicContact CG-CZ 3.66Å; F148-I162 HydrophobicContact CE1-CG2 4.17Å; F148-I174 HydrophobicContact CE1-CD1 4.16Å; F148-I174 HydrophobicContact CE1-CG2 4.5Å; F148-I174 HydrophobicContact CE2-CD1 4.15Å; F148-I174 HydrophobicContact CZ-CD1 3.39Å; F148-I174 HydrophobicContact CZ-CG2 4.27Å; F148-F178 HydrophobicContact CE1-CZ 4.44Å |
| 149 | K | 55 | Low | 55.6 | Low | 100 Ų | 100 | 78.3 Ų | 78.3 | 44% | 0.435 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.7 | 170.3 | -69.9 | -173.4 | 179 | -176.3 | 0 | 109.1 | I161 | K149-I161 PolarHBondContact O-N 3.2Å |
| 150 | F | 56.2 | Low | 54.2 | Low | 12 Ų | 12 | 77.9 Ų | 77.9 | 5% | 0.053 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 135.6 | 158.1 | -61.7 | -73.8 | 0 | 0 | 0 | 108 | C137 T142 E152 F160 C181 M182 R185 | C137-F150 HydrophobicContact CB-CZ 4.19Å; T142-F150 HydrophobicContact CG2-CD2 3.56Å; T142-F150 HydrophobicContact CG2-CE2 4.27Å; T142-F150 HydrophobicContact CG2-CG 4.47Å; F150-E152 PolarHBondContact O-N 3.39Å; F150-F160 HydrophobicContact CD1-CD2 4.09Å; F150-F160 HydrophobicContact CD1-CE2 4.28Å; F150-F160 HydrophobicContact CE1-CD2 4.19Å; F150-F160 HydrophobicContact CE1-CE2 4.08Å; F150-C181 HydrophobicContact CE1-CB 4.24Å; F150-C181 HydrophobicContact CZ-CB 4.32Å; F150-M182 HydrophobicContact CD1-CE 3.85Å; F150-M182 HydrophobicContact CD1-SD 3.89Å; F150-M182 HydrophobicContact CE1-CE 4.17Å; F150-M182 HydrophobicContact CE1-SD 3.76Å; F150-R185 VanDerWaalsContact CD2-NH1 3.29Å |
| 151 | S | 57.4 | Low | 53.4 | Low | 26 Ų | 26 | 81.3 Ų | 81.3 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | trans | -58.8 | 134.2 | 164.7 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | E153 K159 | S151-E153 PolarHBondContact O-N 3.22Å; S151-E153 PolarHBondContact OG-N 3.02Å; S151-K159 WeakPolarHBondContact CB-O 3.28Å; S151-K159 PolarHBondContact N-O 3.14Å | ||
| 152 | E | 51.6 | Low | 52.6 | Low | 176 Ų | 176 | 81 Ų | 81 | 82% | 0.822 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -69.2 | -10.5 | 175.6 | -69 | -179.8 | 173.4 | 0 | 0 | 112.3 | F150 L154 | F150-E152 PolarHBondContact O-N 3.39Å; E152-L154 PolarHBondContact O-N 3.42Å |
| 153 | E | 46.5 | Very low | 51.7 | Low | 118 Ų | 118 | 81.2 Ų | 81.2 | 55% | 0.551 | 40% | 0.402 | S | S | * | . | trans | -79.2 | 92.2 | -179.9 | -65.4 | -179 | -171.2 | 0 | 0 | 111.1 | S151 D155 | S151-E153 PolarHBondContact O-N 3.22Å; S151-E153 PolarHBondContact OG-N 3.02Å; E153-D155 PolarHBondContact O-N 2.94Å; E153-D155 VanDerWaalsContact O-N 3.11Å | ||
| 154 | L | 47.9 | Very low | 51.5 | Low | 81 Ų | 81 | 86 Ų | 86 | 42% | 0.424 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -60.2 | -14 | 174.8 | -70.9 | 126.2 | 0 | 0 | 0 | 114.3 | E152 D189 | E152-L154 PolarHBondContact O-N 3.42Å; L154-D189 WeakPolarHBondContact CD2-OD2 2.94Å |
| 155 | D | 48.1 | Very low | 51.6 | Low | 160 Ų | 160 | 83 Ų | 83 | 86% | 0.856 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -106.7 | -24.7 | -168.4 | -142.8 | 19.8 | 0 | 0 | 0 | 113.7 | E153 | E153-D155 PolarHBondContact O-N 2.94Å; E153-D155 VanDerWaalsContact O-N 3.11Å |
| 156 | S | 44.5 | Very low | 51.8 | Low | 71 Ų | 71 | 82.6 Ų | 82.6 | 50% | 0.497 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -116 | 73.4 | -168.3 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 157 | K | 46.9 | Very low | 52.6 | Low | 185 Ų | 185 | 81.8 Ų | 81.8 | 80% | 0.804 | 42% | 0.423 | S | S | * | . | trans | 44.9 | 74 | 174.4 | -65 | 178.3 | 178.9 | 177.5 | 0 | 111.4 | K159 | K157-K159 VanDerWaalsContact O-CG 3.27Å; K157-K159 WeakPolarHBondContact O-CG 3.38Å; K157-K159 PolarHBondContact O-N 3.12Å | ||
| 158 | E | 49.1 | Very low | 53.6 | Low | 42 Ų | 42 | 83.5 Ų | 83.5 | 20% | 0.196 | 44% | 0.442 | C | S | . | . | trans | -27.9 | 94.2 | 179.8 | -56.9 | 174.1 | 157 | 0 | 0 | 112.9 | M182 | E158-M182 HydrophobicContact CB-CE 3.19Å; E158-M182 HydrophobicContact CG-CE 3.92Å; E158-M182 WeakPolarHBondContact OE2-CE 3.47Å | ||
| 159 | K | 49.4 | Very low | 54.3 | Low | 150 Ų | 150 | 85.4 Ų | 85.4 | 65% | 0.652 | 46% | 0.463 | S | S | * | . | trans | -87.6 | 123.2 | -178.3 | -74.8 | -176.7 | -173.9 | 168.3 | 0 | 107.2 | S151 K157 I161 | S151-K159 WeakPolarHBondContact CB-O 3.28Å; S151-K159 PolarHBondContact N-O 3.14Å; K157-K159 VanDerWaalsContact O-CG 3.27Å; K157-K159 WeakPolarHBondContact O-CG 3.38Å; K157-K159 PolarHBondContact O-N 3.12Å; K159-I161 PolarHBondContact O-N 3.2Å | ||
| 160 | F | 52.4 | Low | 54.9 | Low | 33 Ų | 33 | 82.4 Ų | 82.4 | 15% | 0.145 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 109.9 | 171.5 | -161.1 | -93.2 | 0 | 0 | 0 | 108.6 | F148 F150 I162 F178 M182 | F148-F160 HydrophobicContact CB-CE1 3.78Å; F148-F160 HydrophobicContact CB-CE2 4.27Å; F148-F160 HydrophobicContact CB-CZ 3.39Å; F148-F160 HydrophobicContact CD1-CD1 4.45Å; F148-F160 AromaticContact CD1-CE1 3.3Å; F148-F160 HydrophobicContact CD1-CE1 3.3Å; F148-F160 AromaticContact CD1-CZ 3.73Å; F148-F160 HydrophobicContact CD1-CZ 3.73Å; F148-F160 HydrophobicContact CE1-CE1 4.21Å; F148-F160 AromaticContact CG-CE1 3.76Å; F148-F160 HydrophobicContact CG-CE1 3.76Å; F148-F160 AromaticContact CG-CZ 3.66Å; F148-F160 HydrophobicContact CG-CZ 3.66Å; F150-F160 HydrophobicContact CD1-CD2 4.09Å; F150-F160 HydrophobicContact CD1-CE2 4.28Å; F150-F160 HydrophobicContact CE1-CD2 4.19Å; F150-F160 HydrophobicContact CE1-CE2 4.08Å; F160-I162 HydrophobicContact CD1-CG1 3.86Å; F160-I162 HydrophobicContact CE1-CG1 4.29Å; F160-I162 PolarHBondContact O-N 3.37Å; F160-F178 HydrophobicContact CB-CD2 4.35Å; F160-F178 HydrophobicContact CB-CG 4.43Å; F160-F178 AromaticContact CD1-CD1 3.81Å; F160-F178 HydrophobicContact CD1-CD1 3.81Å; F160-F178 AromaticContact CD1-CD2 3.82Å; F160-F178 HydrophobicContact CD1-CD2 3.82Å; F160-F178 AromaticContact CD1-CE1 3.56Å; F160-F178 HydrophobicContact CD1-CE1 3.56Å; F160-F178 AromaticContact CD1-CE2 3.57Å; F160-F178 HydrophobicContact CD1-CE2 3.57Å; F160-F178 AromaticContact CD1-CG 3.96Å; F160-F178 HydrophobicContact CD1-CG 3.96Å; F160-F178 AromaticContact CD1-CZ 3.45Å; F160-F178 HydrophobicContact CD1-CZ 3.45Å; F160-F178 VanDerWaalsContact CD1-CZ 3.45Å; F160-F178 HydrophobicContact CD2-CD1 4.11Å; F160-F178 HydrophobicContact CD2-CE1 4.48Å; F160-F178 HydrophobicContact CD2-CG 4.37Å; F160-F178 AromaticContact CE1-CD1 3.54Å; F160-F178 HydrophobicContact CE1-CD1 3.54Å; F160-F178 HydrophobicContact CE1-CD2 4.25Å; F160-F178 AromaticContact CE1-CE1 2.96Å; F160-F178 HydrophobicContact CE1-CE1 2.96Å; F160-F178 AromaticContact CE1-CE2 3.77Å; F160-F178 HydrophobicContact CE1-CE2 3.77Å; F160-F178 HydrophobicContact CE1-CG 4.17Å; F160-F178 AromaticContact CE1-CZ 3.12Å; F160-F178 HydrophobicContact CE1-CZ 3.12Å; F160-F178 AromaticContact CE2-CD1 3.87Å; F160-F178 HydrophobicContact CE2-CD1 3.87Å; F160-F178 HydrophobicContact CE2-CE1 4.03Å; F160-F178 HydrophobicContact CG-CD1 4.04Å; F160-F178 HydrophobicContact CG-CD2 4.15Å; F160-F178 HydrophobicContact CG-CE1 4.25Å; F160-F178 HydrophobicContact CG-CE2 4.35Å; F160-F178 HydrophobicContact CG-CG 4.02Å; F160-F178 HydrophobicContact CG-CZ 4.42Å; F160-F178 AromaticContact CZ-CD1 3.52Å; F160-F178 HydrophobicContact CZ-CD1 3.52Å; F160-F178 AromaticContact CZ-CE1 3.2Å; F160-F178 HydrophobicContact CZ-CE1 3.2Å; F160-F178 HydrophobicContact CZ-CG 4.43Å; F160-F178 AromaticContact CZ-CZ 3.89Å; F160-F178 HydrophobicContact CZ-CZ 3.89Å; F160-M182 HydrophobicContact CD2-SD 4.27Å |
| 161 | I | 56 | Low | 55.5 | Low | 96 Ų | 96 | 84.5 Ų | 84.5 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 102.7 | 179.5 | -57.9 | 173.3 | 0 | 0 | 0 | 107.2 | K149 K159 H163 | K149-I161 PolarHBondContact O-N 3.2Å; K159-I161 PolarHBondContact O-N 3.2Å; I161-H163 PolarHBondContact O-N 3.39Å |
| 162 | I | 57.5 | Low | 56.3 | Low | 36 Ų | 36 | 88.5 Ų | 88.5 | 19% | 0.185 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 110.2 | 172 | -50 | 169 | 0 | 0 | 0 | 107.7 | F148 F160 S164 R171 F178 | F148-I162 HydrophobicContact CE1-CG2 4.17Å; F160-I162 HydrophobicContact CD1-CG1 3.86Å; F160-I162 HydrophobicContact CE1-CG1 4.29Å; F160-I162 PolarHBondContact O-N 3.37Å; I162-S164 PolarHBondContact O-N 2.99Å; I162-R171 HydrophobicContact CD1-CB 4.45Å; I162-R171 HydrophobicContact CD1-CG 4.49Å; I162-R171 HydrophobicContact CG2-CG 4.11Å; I162-R171 PolarHBondContact O-NH1 2.85Å; I162-F178 HydrophobicContact CD1-CE2 3.68Å; I162-F178 HydrophobicContact CD1-CZ 4.23Å; I162-F178 HydrophobicContact CG1-CE2 3.87Å; I162-F178 HydrophobicContact CG1-CZ 4.12Å |
| 163 | H | 50.5 | Low | 57.3 | Low | 83 Ų | 83 | 81.7 Ų | 81.7 | 38% | 0.384 | 45% | 0.446 | S | S | . | . | trans | -54.9 | 138.7 | 177.5 | -105.2 | -86.4 | 0 | 0 | 0 | 111.2 | L146 L147 I161 S165 R171 | L146-H163 PolarHBondContact O-CD2 3.02Å; L147-H163 PolarHBondContact O-N 2.81Å; L147-H163 VanDerWaalsContact O-N 3.09Å; I161-H163 PolarHBondContact O-N 3.39Å; H163-S165 PolarHBondContact O-N 3.47Å; H163-R171 PolarHBondContact O-NH2 3.31Å | ||
| 164 | S | 53.7 | Low | 58.7 | Low | 110 Ų | 110 | 76.2 Ų | 76.2 | 77% | 0.769 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -9.5 | -173.5 | 46.7 | 0 | 0 | 0 | 0 | 115.7 | I162 C166 R171 | I162-S164 PolarHBondContact O-N 2.99Å; S164-C166 VanDerWaalsContact C-N 3.34Å; S164-C166 PolarHBondContact O-N 3.1Å; S164-R171 PolarHBondContact O-NH2 3.44Å |
| 165 | S | 56 | Low | 60.3 | Low | 88 Ų | 88 | 77.6 Ų | 77.6 | 62% | 0.615 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -8.2 | -177.6 | 66.1 | 0 | 0 | 0 | 0 | 115.7 | L147 H163 | L147-S165 WeakPolarHBondContact CD2-OG 3.35Å; H163-S165 PolarHBondContact O-N 3.47Å |
| 166 | C | 54.6 | Low | 62 | Low | 12 Ų | 12 | 71.8 Ų | 71.8 | 8% | 0.081 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -90.7 | 127.6 | 177.4 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | S164 L170 R171 | S164-C166 VanDerWaalsContact C-N 3.34Å; S164-C166 PolarHBondContact O-N 3.1Å; C166-L170 HydrophobicContact CB-CB 4.42Å; C166-R171 HydrophobicContact CB-CG 4.11Å; C166-R171 PolarHBondContact O-NE 2.88Å; C166-R171 PolarHBondContact O-NH2 2.99Å; C166-R171 VanDerWaalsContact O-NH2 3.16Å |
| 167 | D | 66.3 | Low | 63.9 | Low | 99 Ų | 99 | 68.4 Ų | 68.4 | 53% | 0.529 | 37% | 0.372 | S | S | . | . | trans | -51.3 | 144.8 | 168.9 | -64.5 | -42.2 | 0 | 0 | 0 | 111.2 | G169 L170 R171 | D167-G169 PolarHBondContact O-N 3.39Å; D167-G169 VanDerWaalsContact O-N 3.1Å; D167-L170 PolarHBondContact O-N 3.23Å; D167-R171 PolarHBondContact O-N 2.94Å; D167-R171 VanDerWaalsContact O-N 3.14Å | ||
| 168 | A | 70.6 | Confident | 65.7 | Low | 71 Ų | 71 | 60.4 Ų | 60.4 | 59% | 0.587 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -53.4 | -34.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R171 N172 | A168-R171 PolarHBondContact O-N 3.08Å; A168-N172 VanDerWaalsContact O-CG 3.25Å; A168-N172 PolarHBondContact O-N 3.23Å; A168-N172 VanDerWaalsContact O-N 3.09Å; A168-N172 PolarHBondContact O-ND2 3.11Å; A168-N172 PolarHBondContact O-OD1 3.42Å |
| 169 | G | 69.2 | Low | 67.4 | Low | 45 Ų | 45 | 60.1 Ų | 60.1 | 46% | 0.464 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D167 R171 N172 F173 | D167-G169 PolarHBondContact O-N 3.39Å; D167-G169 VanDerWaalsContact O-N 3.1Å; G169-R171 VanDerWaalsContact C-N 3.34Å; G169-N172 PolarHBondContact O-N 3.48Å; G169-F173 PolarHBondContact O-N 3.08Å; G169-F173 VanDerWaalsContact O-N 3.12Å |
| 170 | L | 68.2 | Low | 69.3 | Low | 36 Ų | 36 | 53 Ų | 53 | 19% | 0.188 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.7 | -35.6 | 175.8 | -70 | 174.6 | 0 | 0 | 0 | 111.6 | M122 I130 C166 D167 F173 I174 | M122-L170 HydrophobicContact CG-CD1 4.45Å; M122-L170 HydrophobicContact CG-CD2 4.28Å; M122-L170 HydrophobicContact SD-CD1 4.13Å; I130-L170 HydrophobicContact CD1-CD1 4.28Å; I130-L170 HydrophobicContact CD1-CD2 4.32Å; C166-L170 HydrophobicContact CB-CB 4.42Å; D167-L170 PolarHBondContact O-N 3.23Å; L170-F173 WeakPolarHBondContact O-CB 3.42Å; L170-F173 PolarHBondContact O-N 3Å; L170-I174 VanDerWaalsContact O-CG1 3.29Å; L170-I174 WeakPolarHBondContact O-CG1 3.24Å; L170-I174 PolarHBondContact O-N 3.28Å; L170-I174 VanDerWaalsContact O-N 3.16Å |
| 171 | R | 68.8 | Low | 71 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 174.8 | -60.4 | -172 | -174 | -101.8 | -20.4 | 111 | I162 H163 S164 C166 D167 A168 G169 F173 I174 E175 | I162-R171 HydrophobicContact CD1-CB 4.45Å; I162-R171 HydrophobicContact CD1-CG 4.49Å; I162-R171 HydrophobicContact CG2-CG 4.11Å; I162-R171 PolarHBondContact O-NH1 2.85Å; H163-R171 PolarHBondContact O-NH2 3.31Å; S164-R171 PolarHBondContact O-NH2 3.44Å; C166-R171 HydrophobicContact CB-CG 4.11Å; C166-R171 PolarHBondContact O-NE 2.88Å; C166-R171 PolarHBondContact O-NH2 2.99Å; C166-R171 VanDerWaalsContact O-NH2 3.16Å; D167-R171 PolarHBondContact O-N 2.94Å; D167-R171 VanDerWaalsContact O-N 3.14Å; A168-R171 PolarHBondContact O-N 3.08Å; G169-R171 VanDerWaalsContact C-N 3.34Å; R171-F173 PolarHBondContact O-N 3.36Å; R171-I174 PolarHBondContact O-N 2.93Å; R171-E175 VanDerWaalsContact O-CB 3.29Å; R171-E175 WeakPolarHBondContact O-CB 3.32Å; R171-E175 PolarHBondContact O-N 3.41Å |
| 172 | N | 73.9 | Confident | 72.4 | Confident | 110 Ų | 110 | 47.9 Ų | 47.9 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.5 | -27.9 | 178 | -65.5 | -13.3 | 0 | 0 | 0 | 112.4 | A168 G169 P176 | A168-N172 VanDerWaalsContact O-CG 3.25Å; A168-N172 PolarHBondContact O-N 3.23Å; A168-N172 VanDerWaalsContact O-N 3.09Å; A168-N172 PolarHBondContact O-ND2 3.11Å; A168-N172 PolarHBondContact O-OD1 3.42Å; G169-N172 PolarHBondContact O-N 3.48Å; N172-P176 WeakPolarHBondContact O-CD 3.39Å |
| 173 | F | 72.5 | Confident | 74 | Confident | 32 Ų | 32 | 46.5 Ų | 46.5 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -74 | -34.5 | 176.7 | -164.9 | -113.7 | 0 | 0 | 0 | 112.7 | F120 G169 L170 R171 Y233 | F120-F173 HydrophobicContact CE1-CZ 4.39Å; F120-F173 HydrophobicContact CZ-CE2 4.49Å; F120-F173 HydrophobicContact CZ-CZ 4.28Å; G169-F173 PolarHBondContact O-N 3.08Å; G169-F173 VanDerWaalsContact O-N 3.12Å; L170-F173 WeakPolarHBondContact O-CB 3.42Å; L170-F173 PolarHBondContact O-N 3Å; R171-F173 PolarHBondContact O-N 3.36Å; F173-Y233 AromaticContact CD1-CD2 3.5Å; F173-Y233 HydrophobicContact CD1-CD2 3.5Å; F173-Y233 VanDerWaalsContact CD1-CD2 3.5Å; F173-Y233 AromaticContact CD1-CE2 3.45Å; F173-Y233 HydrophobicContact CD1-CE2 3.45Å; F173-Y233 VanDerWaalsContact CD1-CE2 3.45Å; F173-Y233 HydrophobicContact CD1-CG 4.1Å; F173-Y233 HydrophobicContact CD2-CD1 4.02Å; F173-Y233 HydrophobicContact CD2-CD2 4.23Å; F173-Y233 AromaticContact CD2-CE1 3.72Å; F173-Y233 HydrophobicContact CD2-CE1 3.72Å; F173-Y233 AromaticContact CD2-CE2 3.86Å; F173-Y233 HydrophobicContact CD2-CE2 3.86Å; F173-Y233 HydrophobicContact CD2-CG 4.27Å; F173-Y233 AromaticContact CD2-CZ 3.62Å; F173-Y233 AromaticContact CE1-CD1 3.96Å; F173-Y233 HydrophobicContact CE1-CD1 3.96Å; F173-Y233 AromaticContact CE1-CD2 3Å; F173-Y233 HydrophobicContact CE1-CD2 3Å; F173-Y233 HydrophobicContact CE1-CE1 4.4Å; F173-Y233 AromaticContact CE1-CE2 3.49Å; F173-Y233 HydrophobicContact CE1-CE2 3.49Å; F173-Y233 VanDerWaalsContact CE1-CE2 3.49Å; F173-Y233 AromaticContact CE1-CG 3.25Å; F173-Y233 HydrophobicContact CE1-CG 3.25Å; F173-Y233 AromaticContact CE2-CD1 3.2Å; F173-Y233 HydrophobicContact CE2-CD1 3.2Å; F173-Y233 AromaticContact CE2-CD2 3.81Å; F173-Y233 HydrophobicContact CE2-CD2 3.81Å; F173-Y233 AromaticContact CE2-CE1 3.35Å; F173-Y233 HydrophobicContact CE2-CE1 3.35Å; F173-Y233 AromaticContact CE2-CE2 3.87Å; F173-Y233 HydrophobicContact CE2-CE2 3.87Å; F173-Y233 AromaticContact CE2-CG 3.45Å; F173-Y233 HydrophobicContact CE2-CG 3.45Å; F173-Y233 VanDerWaalsContact CE2-CG 3.45Å; F173-Y233 AromaticContact CE2-CZ 3.69Å; F173-Y233 HydrophobicContact CG-CD2 4.12Å; F173-Y233 HydrophobicContact CG-CE1 4.41Å; F173-Y233 AromaticContact CG-CE2 3.7Å; F173-Y233 HydrophobicContact CG-CE2 3.7Å; F173-Y233 AromaticContact CG-CZ 3.9Å; F173-Y233 AromaticContact CZ-CD1 3.21Å; F173-Y233 HydrophobicContact CZ-CD1 3.21Å; F173-Y233 AromaticContact CZ-CD2 3.24Å; F173-Y233 HydrophobicContact CZ-CD2 3.24Å; F173-Y233 AromaticContact CZ-CE1 3.8Å; F173-Y233 HydrophobicContact CZ-CE1 3.8Å; F173-Y233 AromaticContact CZ-CE2 3.74Å; F173-Y233 HydrophobicContact CZ-CE2 3.74Å; F173-Y233 AromaticContact CZ-CG 2.89Å; F173-Y233 HydrophobicContact CZ-CG 2.89Å; F173-Y233 WeakPolarHBondContact O-CE2 3.46Å; F173-Y233 VanDerWaalsContact O-CZ 3.23Å; F173-Y233 PolarHBondContact O-OH 3.4Å |
| 174 | I | 76.7 | Confident | 75.9 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -100.3 | -27 | -172.1 | -52.9 | 166.5 | 0 | 0 | 0 | 111.6 | I130 L134 F148 L170 R171 P176 F177 F178 | I130-I174 HydrophobicContact CG2-CD1 3.47Å; I130-I174 VanDerWaalsContact CG2-CD1 3.47Å; I130-I174 HydrophobicContact CG2-CG1 4.23Å; L134-I174 HydrophobicContact CD1-CG2 4.21Å; F148-I174 HydrophobicContact CE1-CD1 4.16Å; F148-I174 HydrophobicContact CE1-CG2 4.5Å; F148-I174 HydrophobicContact CE2-CD1 4.15Å; F148-I174 HydrophobicContact CZ-CD1 3.39Å; F148-I174 HydrophobicContact CZ-CG2 4.27Å; L170-I174 VanDerWaalsContact O-CG1 3.29Å; L170-I174 WeakPolarHBondContact O-CG1 3.24Å; L170-I174 PolarHBondContact O-N 3.28Å; L170-I174 VanDerWaalsContact O-N 3.16Å; R171-I174 PolarHBondContact O-N 2.93Å; I174-P176 VanDerWaalsContact C-N 3.26Å; I174-P176 VanDerWaalsContact O-N 3.1Å; I174-F177 WeakPolarHBondContact O-CB 3.12Å; I174-F177 PolarHBondContact O-N 3.32Å; I174-F178 HydrophobicContact CB-CE1 4.28Å; I174-F178 HydrophobicContact CB-CZ 4.04Å; I174-F178 HydrophobicContact CG2-CD1 4.41Å; I174-F178 HydrophobicContact CG2-CE1 3.39Å; I174-F178 HydrophobicContact CG2-CZ 3.62Å |
| 175 | E | 82.4 | Confident | 77.5 | Confident | 110 Ų | 110 | 39.6 Ų | 39.6 | 51% | 0.514 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -46.6 | -38.9 | 176.9 | -172.7 | 170.8 | -162.8 | 0 | 0 | 115.3 | R171 F177 F178 P179 | R171-E175 VanDerWaalsContact O-CB 3.29Å; R171-E175 WeakPolarHBondContact O-CB 3.32Å; R171-E175 PolarHBondContact O-N 3.41Å; E175-F177 PolarHBondContact O-N 2.76Å; E175-F178 VanDerWaalsContact CA-CE2 3.46Å; E175-F178 HydrophobicContact CB-CD2 4.33Å; E175-F178 HydrophobicContact CB-CE2 4.16Å; E175-F178 HydrophobicContact CG-CD2 4.33Å; E175-F178 PolarHBondContact O-N 2.9Å; E175-P179 WeakPolarHBondContact O-CD 3.45Å |
| 176 | P | 83.2 | Confident | 79.1 | Confident | 38 Ų | 38 | 38 Ų | 38 | 25% | 0.247 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -64 | -22.6 | 178.6 | -23.2 | 35.6 | 0 | 0 | 0 | 114.7 | N172 I174 P179 W237 | N172-P176 WeakPolarHBondContact O-CD 3.39Å; I174-P176 VanDerWaalsContact C-N 3.26Å; I174-P176 VanDerWaalsContact O-N 3.1Å; P176-P179 WeakPolarHBondContact O-CD 3.47Å; P176-W237 VanDerWaalsContact C-CZ3 3.47Å; P176-W237 HydrophobicContact CB-CE3 4.3Å; P176-W237 HydrophobicContact CB-CH2 3.13Å; P176-W237 HydrophobicContact CB-CZ2 3.64Å; P176-W237 HydrophobicContact CB-CZ3 3.52Å; P176-W237 HydrophobicContact CG-CH2 4.49Å; P176-W237 VanDerWaalsContact O-CH2 3.26Å; P176-W237 WeakPolarHBondContact O-CH2 3.43Å; P176-W237 VanDerWaalsContact O-CZ3 3.23Å; P176-W237 WeakPolarHBondContact O-CZ3 3.48Å |
| 177 | F | 84.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -80.3 | -29.6 | -179.6 | -71.9 | -104.2 | 0 | 0 | 0 | 112.7 | L134 L138 I174 E175 P179 V180 C181 Y233 L236 W237 L240 | L134-F177 HydrophobicContact CD1-CB 3.64Å; L134-F177 HydrophobicContact CD1-CD1 3.86Å; L134-F177 HydrophobicContact CD1-CG 3.81Å; L134-F177 HydrophobicContact CD2-CD1 3.61Å; L134-F177 HydrophobicContact CD2-CD2 4.23Å; L134-F177 HydrophobicContact CD2-CE1 3.76Å; L134-F177 HydrophobicContact CD2-CE2 4.4Å; L134-F177 HydrophobicContact CD2-CG 3.87Å; L134-F177 HydrophobicContact CD2-CZ 4.14Å; L134-F177 HydrophobicContact CG-CD1 4.03Å; L134-F177 HydrophobicContact CG-CG 4.35Å; L138-F177 HydrophobicContact CD1-CD1 4.33Å; I174-F177 WeakPolarHBondContact O-CB 3.12Å; I174-F177 PolarHBondContact O-N 3.32Å; E175-F177 PolarHBondContact O-N 2.76Å; F177-P179 VanDerWaalsContact C-CD 3.49Å; F177-V180 PolarHBondContact O-N 3.12Å; F177-C181 PolarHBondContact O-N 2.99Å; F177-Y233 HydrophobicContact CD2-CE2 4.03Å; F177-Y233 AromaticContact CE2-CD2 3.87Å; F177-Y233 HydrophobicContact CE2-CD2 3.87Å; F177-Y233 AromaticContact CE2-CE2 3.08Å; F177-Y233 HydrophobicContact CE2-CE2 3.08Å; F177-Y233 AromaticContact CE2-CZ 3.54Å; F177-Y233 AromaticContact CZ-CD2 3.96Å; F177-Y233 HydrophobicContact CZ-CD2 3.96Å; F177-Y233 AromaticContact CZ-CE2 3.63Å; F177-Y233 HydrophobicContact CZ-CE2 3.63Å; F177-L236 HydrophobicContact CE1-CD2 3.89Å; F177-L236 HydrophobicContact CE1-CG 3.93Å; F177-L236 HydrophobicContact CZ-CD2 4.45Å; F177-L236 HydrophobicContact CZ-CG 4.49Å; F177-W237 HydrophobicContact CD1-CE3 4.39Å; F177-W237 AromaticContact CD2-CE3 3.91Å; F177-W237 HydrophobicContact CD2-CE3 3.91Å; F177-W237 HydrophobicContact CD2-CZ3 4.07Å; F177-W237 HydrophobicContact CE1-CE3 4.03Å; F177-W237 HydrophobicContact CE2-CB 4.4Å; F177-W237 HydrophobicContact CE2-CD2 4.16Å; F177-W237 AromaticContact CE2-CE3 3.42Å; F177-W237 HydrophobicContact CE2-CE3 3.42Å; F177-W237 VanDerWaalsContact CE2-CE3 3.42Å; F177-W237 HydrophobicContact CE2-CZ3 4.05Å; F177-W237 HydrophobicContact CG-CE3 4.34Å; F177-W237 HydrophobicContact CG-CZ3 4.36Å; F177-W237 HydrophobicContact CZ-CB 3.86Å; F177-W237 HydrophobicContact CZ-CD2 4.25Å; F177-W237 AromaticContact CZ-CE3 3.55Å; F177-W237 HydrophobicContact CZ-CE3 3.55Å; F177-W237 HydrophobicContact CZ-CG 4.44Å; F177-W237 HydrophobicContact CZ-CZ3 4.45Å; F177-L240 HydrophobicContact CB-CD2 4.32Å; F177-L240 HydrophobicContact CD1-CD2 3.23Å; F177-L240 HydrophobicContact CE1-CD2 3.62Å; F177-L240 HydrophobicContact CG-CD2 3.96Å |
| 178 | F | 83.4 | Confident | 82.1 | Confident | 18 Ų | 18 | 34.2 Ų | 34.2 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.4 | -44.7 | -172.5 | -57.3 | -28.9 | 0 | 0 | 0 | 113.5 | F148 F160 I162 I174 E175 V180 C181 M182 | F148-F178 HydrophobicContact CE1-CZ 4.44Å; F160-F178 HydrophobicContact CB-CD2 4.35Å; F160-F178 HydrophobicContact CB-CG 4.43Å; F160-F178 AromaticContact CD1-CD1 3.81Å; F160-F178 HydrophobicContact CD1-CD1 3.81Å; F160-F178 AromaticContact CD1-CD2 3.82Å; F160-F178 HydrophobicContact CD1-CD2 3.82Å; F160-F178 AromaticContact CD1-CE1 3.56Å; F160-F178 HydrophobicContact CD1-CE1 3.56Å; F160-F178 AromaticContact CD1-CE2 3.57Å; F160-F178 HydrophobicContact CD1-CE2 3.57Å; F160-F178 AromaticContact CD1-CG 3.96Å; F160-F178 HydrophobicContact CD1-CG 3.96Å; F160-F178 AromaticContact CD1-CZ 3.45Å; F160-F178 HydrophobicContact CD1-CZ 3.45Å; F160-F178 VanDerWaalsContact CD1-CZ 3.45Å; F160-F178 HydrophobicContact CD2-CD1 4.11Å; F160-F178 HydrophobicContact CD2-CE1 4.48Å; F160-F178 HydrophobicContact CD2-CG 4.37Å; F160-F178 AromaticContact CE1-CD1 3.54Å; F160-F178 HydrophobicContact CE1-CD1 3.54Å; F160-F178 HydrophobicContact CE1-CD2 4.25Å; F160-F178 AromaticContact CE1-CE1 2.96Å; F160-F178 HydrophobicContact CE1-CE1 2.96Å; F160-F178 AromaticContact CE1-CE2 3.77Å; F160-F178 HydrophobicContact CE1-CE2 3.77Å; F160-F178 HydrophobicContact CE1-CG 4.17Å; F160-F178 AromaticContact CE1-CZ 3.12Å; F160-F178 HydrophobicContact CE1-CZ 3.12Å; F160-F178 AromaticContact CE2-CD1 3.87Å; F160-F178 HydrophobicContact CE2-CD1 3.87Å; F160-F178 HydrophobicContact CE2-CE1 4.03Å; F160-F178 HydrophobicContact CG-CD1 4.04Å; F160-F178 HydrophobicContact CG-CD2 4.15Å; F160-F178 HydrophobicContact CG-CE1 4.25Å; F160-F178 HydrophobicContact CG-CE2 4.35Å; F160-F178 HydrophobicContact CG-CG 4.02Å; F160-F178 HydrophobicContact CG-CZ 4.42Å; F160-F178 AromaticContact CZ-CD1 3.52Å; F160-F178 HydrophobicContact CZ-CD1 3.52Å; F160-F178 AromaticContact CZ-CE1 3.2Å; F160-F178 HydrophobicContact CZ-CE1 3.2Å; F160-F178 HydrophobicContact CZ-CG 4.43Å; F160-F178 AromaticContact CZ-CZ 3.89Å; F160-F178 HydrophobicContact CZ-CZ 3.89Å; I162-F178 HydrophobicContact CD1-CE2 3.68Å; I162-F178 HydrophobicContact CD1-CZ 4.23Å; I162-F178 HydrophobicContact CG1-CE2 3.87Å; I162-F178 HydrophobicContact CG1-CZ 4.12Å; I174-F178 HydrophobicContact CB-CE1 4.28Å; I174-F178 HydrophobicContact CB-CZ 4.04Å; I174-F178 HydrophobicContact CG2-CD1 4.41Å; I174-F178 HydrophobicContact CG2-CE1 3.39Å; I174-F178 HydrophobicContact CG2-CZ 3.62Å; E175-F178 VanDerWaalsContact CA-CE2 3.46Å; E175-F178 HydrophobicContact CB-CD2 4.33Å; E175-F178 HydrophobicContact CB-CE2 4.16Å; E175-F178 HydrophobicContact CG-CD2 4.33Å; E175-F178 PolarHBondContact O-N 2.9Å; F178-V180 PolarHBondContact O-N 3.42Å; F178-V180 VanDerWaalsContact O-N 3.08Å; F178-C181 PolarHBondContact O-N 3.29Å; F178-C181 VanDerWaalsContact O-N 3.08Å; F178-M182 WeakPolarHBondContact O-CG 3.26Å; F178-M182 PolarHBondContact O-N 3.42Å |
| 179 | P | 86.7 | Confident | 83 | Confident | 35 Ų | 35 | 31.8 Ų | 31.8 | 23% | 0.227 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.1 | -35.1 | 177.1 | -28.2 | 36.4 | 0 | 0 | 0 | 113.6 | E175 P176 F177 D183 | E175-P179 WeakPolarHBondContact O-CD 3.45Å; P176-P179 WeakPolarHBondContact O-CD 3.47Å; F177-P179 VanDerWaalsContact C-CD 3.49Å; P179-D183 WeakPolarHBondContact O-CB 3.42Å; P179-D183 PolarHBondContact O-N 3.3Å |
| 180 | V | 88.7 | Confident | 84 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -78.7 | -39.6 | 179.7 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | L138 F177 F178 M182 D183 V184 L240 R244 F247 | L138-V180 HydrophobicContact CD2-CG1 4.45Å; F177-V180 PolarHBondContact O-N 3.12Å; F178-V180 PolarHBondContact O-N 3.42Å; F178-V180 VanDerWaalsContact O-N 3.08Å; V180-M182 VanDerWaalsContact C-N 3.27Å; V180-M182 PolarHBondContact O-N 3.27Å; V180-D183 PolarHBondContact O-N 3.47Å; V180-V184 HydrophobicContact CG1-CG2 4.3Å; V180-V184 VanDerWaalsContact O-CG2 3.3Å; V180-V184 WeakPolarHBondContact O-CG2 3.09Å; V180-V184 PolarHBondContact O-N 3.45Å; V180-L240 HydrophobicContact CB-CD1 4.01Å; V180-L240 HydrophobicContact CB-CD2 4.09Å; V180-L240 HydrophobicContact CB-CG 4.2Å; V180-L240 HydrophobicContact CG1-CD1 3.54Å; V180-L240 HydrophobicContact CG1-CG 4.21Å; V180-L240 HydrophobicContact CG2-CD1 4.2Å; V180-L240 HydrophobicContact CG2-CD2 3.97Å; V180-L240 HydrophobicContact CG2-CG 3.93Å; V180-R244 HydrophobicContact CG2-CB 3.82Å; V180-R244 HydrophobicContact CG2-CG 3.69Å; V180-F247 HydrophobicContact CG1-CB 4.42Å; V180-F247 HydrophobicContact CG1-CD2 3.9Å; V180-F247 HydrophobicContact CG1-CG 4.37Å |
| 181 | C | 87.4 | Confident | 85 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.9 | -43 | 172.6 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | C137 F150 F177 F178 V184 R185 | C137-C181 HydrophobicContact CB-CB 4.45Å; F150-C181 HydrophobicContact CE1-CB 4.24Å; F150-C181 HydrophobicContact CZ-CB 4.32Å; F177-C181 PolarHBondContact O-N 2.99Å; F178-C181 PolarHBondContact O-N 3.29Å; F178-C181 VanDerWaalsContact O-N 3.08Å; C181-V184 PolarHBondContact O-N 3.16Å; C181-R185 WeakPolarHBondContact O-CB 3.15Å; C181-R185 PolarHBondContact O-N 3.23Å |
| 182 | M | 86.6 | Confident | 85.9 | Confident | 22 Ų | 22 | 32.2 Ų | 32.2 | 11% | 0.108 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.2 | -45.5 | 176.4 | -54.3 | -32.2 | -64.5 | 0 | 0 | 111.3 | F150 E158 F160 F178 V180 V184 R185 R186 | F150-M182 HydrophobicContact CD1-CE 3.85Å; F150-M182 HydrophobicContact CD1-SD 3.89Å; F150-M182 HydrophobicContact CE1-CE 4.17Å; F150-M182 HydrophobicContact CE1-SD 3.76Å; E158-M182 HydrophobicContact CB-CE 3.19Å; E158-M182 HydrophobicContact CG-CE 3.92Å; E158-M182 WeakPolarHBondContact OE2-CE 3.47Å; F160-M182 HydrophobicContact CD2-SD 4.27Å; F178-M182 WeakPolarHBondContact O-CG 3.26Å; F178-M182 PolarHBondContact O-N 3.42Å; V180-M182 VanDerWaalsContact C-N 3.27Å; V180-M182 PolarHBondContact O-N 3.27Å; M182-V184 PolarHBondContact O-N 2.99Å; M182-R185 PolarHBondContact O-N 3.31Å; M182-R186 WeakPolarHBondContact O-CB 3.32Å; M182-R186 PolarHBondContact O-N 3.5Å |
| 183 | D | 90.9 | Very high | 86.4 | Confident | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 178.1 | -67.6 | -27.2 | 0 | 0 | 0 | 110.5 | P179 V180 R185 R186 L187 F247 R248 A251 | P179-D183 WeakPolarHBondContact O-CB 3.42Å; P179-D183 PolarHBondContact O-N 3.3Å; V180-D183 PolarHBondContact O-N 3.47Å; D183-R185 PolarHBondContact O-N 2.83Å; D183-R186 PolarHBondContact O-N 3.03Å; D183-L187 WeakPolarHBondContact O-CD1 3.32Å; D183-L187 PolarHBondContact O-N 3.27Å; D183-F247 HydrophobicContact CB-CB 3.91Å; D183-R248 IonicContact OD1-CZ 3.65Å; D183-R248 VanDerWaalsContact OD1-CZ 3.25Å; D183-R248 IonicContact OD1-NE 3.01Å; D183-R248 PolarHBondContact OD1-NE 3.49Å; D183-R248 IonicContact OD1-NH2 3.33Å; D183-R248 PolarHBondContact OD1-NH2 2.98Å; D183-R248 WeakPolarHBondContact OD2-CA 3.11Å; D183-R248 IonicContact OD2-CZ 2.66Å; D183-R248 IonicContact OD2-NE 3.25Å; D183-R248 PolarHBondContact OD2-NE 2.88Å; D183-R248 IonicContact OD2-NH2 3.64Å; D183-R248 PolarHBondContact OD2-NH2 2.76Å; D183-A251 HydrophobicContact CB-CB 3.92Å |
| 184 | V | 89.9 | Confident | 86.6 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.1 | -47.5 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | V180 C181 M182 R186 L187 S188 L212 F247 | V180-V184 HydrophobicContact CG1-CG2 4.3Å; V180-V184 VanDerWaalsContact O-CG2 3.3Å; V180-V184 WeakPolarHBondContact O-CG2 3.09Å; V180-V184 PolarHBondContact O-N 3.45Å; C181-V184 PolarHBondContact O-N 3.16Å; M182-V184 PolarHBondContact O-N 2.99Å; V184-R186 PolarHBondContact O-N 3.12Å; V184-L187 WeakPolarHBondContact O-CB 3.24Å; V184-L187 PolarHBondContact O-N 2.94Å; V184-S188 PolarHBondContact O-N 2.97Å; V184-S188 PolarHBondContact O-OG 3.23Å; V184-L212 HydrophobicContact CG1-CD2 4.08Å; V184-F247 HydrophobicContact CG2-CD1 3.82Å; V184-F247 HydrophobicContact CG2-CD2 4.24Å; V184-F247 HydrophobicContact CG2-CE1 3.68Å; V184-F247 HydrophobicContact CG2-CE2 4.09Å; V184-F247 HydrophobicContact CG2-CG 4.11Å; V184-F247 HydrophobicContact CG2-CZ 3.82Å |
| 185 | R | 88 | Confident | 86 | Confident | 47 Ų | 47 | 39.5 Ų | 39.5 | 18% | 0.177 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.5 | -45.5 | 177.9 | -177.3 | 173.7 | 178 | 154.9 | -4.9 | 111.3 | F150 C181 M182 D183 L187 S188 D189 | F150-R185 VanDerWaalsContact CD2-NH1 3.29Å; C181-R185 WeakPolarHBondContact O-CB 3.15Å; C181-R185 PolarHBondContact O-N 3.23Å; M182-R185 PolarHBondContact O-N 3.31Å; D183-R185 PolarHBondContact O-N 2.83Å; R185-L187 VanDerWaalsContact C-N 3.27Å; R185-L187 PolarHBondContact O-N 3.29Å; R185-S188 WeakPolarHBondContact O-CB 3.48Å; R185-S188 PolarHBondContact O-N 3.49Å; R185-S188 VanDerWaalsContact O-N 3.09Å; R185-D189 VanDerWaalsContact O-CG 3.29Å; R185-D189 PolarHBondContact O-N 3.03Å |
| 186 | R | 89.5 | Confident | 85.4 | Confident | 55 Ų | 55 | 38.8 Ų | 38.8 | 21% | 0.208 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.9 | -41.2 | 177.5 | -175.5 | 66.1 | -173.1 | -169.5 | 3.4 | 111.9 | M182 D183 V184 F190 D258 | M182-R186 WeakPolarHBondContact O-CB 3.32Å; M182-R186 PolarHBondContact O-N 3.5Å; D183-R186 PolarHBondContact O-N 3.03Å; V184-R186 PolarHBondContact O-N 3.12Å; R186-F190 VanDerWaalsContact O-CB 3.31Å; R186-F190 WeakPolarHBondContact O-CB 3.49Å; R186-F190 PolarHBondContact O-N 3.43Å; R186-D258 IonicContact CZ-OD2 2.88Å; R186-D258 IonicContact NE-OD2 2.68Å; R186-D258 IonicContact NH2-OD2 3.28Å; R186-D258 PolarHBondContact NH2-OD2 3.46Å |
| 187 | L | 92.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63 | -48.2 | 174 | -90.4 | 85 | 0 | 0 | 0 | 111.7 | D183 V184 R185 D189 F190 V191 L212 F247 L250 A251 | D183-L187 WeakPolarHBondContact O-CD1 3.32Å; D183-L187 PolarHBondContact O-N 3.27Å; V184-L187 WeakPolarHBondContact O-CB 3.24Å; V184-L187 PolarHBondContact O-N 2.94Å; R185-L187 VanDerWaalsContact C-N 3.27Å; R185-L187 PolarHBondContact O-N 3.29Å; L187-D189 PolarHBondContact O-N 3.19Å; L187-F190 PolarHBondContact O-N 3.17Å; L187-V191 WeakPolarHBondContact O-CB 3.48Å; L187-V191 VanDerWaalsContact O-CG2 3.26Å; L187-V191 WeakPolarHBondContact O-CG2 3.42Å; L187-V191 PolarHBondContact O-N 2.91Å; L187-L212 HydrophobicContact CB-CD1 4.29Å; L187-L212 HydrophobicContact CB-CD2 4.05Å; L187-L212 HydrophobicContact CB-CG 4.45Å; L187-L212 HydrophobicContact CD2-CD2 4.41Å; L187-F247 HydrophobicContact CD1-CD1 4.36Å; L187-F247 HydrophobicContact CD2-CD1 4.14Å; L187-F247 HydrophobicContact CD2-CE1 4.33Å; L187-L250 HydrophobicContact CD1-CB 4Å; L187-L250 HydrophobicContact CD2-CB 3.73Å; L187-L250 HydrophobicContact CD2-CD1 3.78Å; L187-L250 HydrophobicContact CD2-CG 4.42Å; L187-L250 HydrophobicContact CG-CB 4.15Å; L187-A251 HydrophobicContact CD1-CB 3.83Å |
| 188 | S | 90.4 | Very high | 85.1 | Confident | 30 Ų | 30 | 38.3 Ų | 38.3 | 21% | 0.21 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 178.6 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | V184 R185 F190 V191 E192 | V184-S188 PolarHBondContact O-N 2.97Å; V184-S188 PolarHBondContact O-OG 3.23Å; R185-S188 WeakPolarHBondContact O-CB 3.48Å; R185-S188 PolarHBondContact O-N 3.49Å; R185-S188 VanDerWaalsContact O-N 3.09Å; S188-F190 PolarHBondContact O-N 3.23Å; S188-V191 WeakPolarHBondContact O-CB 3.31Å; S188-V191 PolarHBondContact O-N 3.25Å; S188-E192 WeakPolarHBondContact O-CG 3.26Å; S188-E192 PolarHBondContact O-N 3.32Å |
| 189 | D | 89 | Confident | 85.3 | Confident | 21 Ų | 21 | 40.2 Ų | 40.2 | 11% | 0.112 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 178.1 | -67.3 | -5.5 | 0 | 0 | 0 | 111.9 | L154 R185 L187 V191 E192 R193 | L154-D189 WeakPolarHBondContact CD2-OD2 2.94Å; R185-D189 VanDerWaalsContact O-CG 3.29Å; R185-D189 PolarHBondContact O-N 3.03Å; L187-D189 PolarHBondContact O-N 3.19Å; D189-V191 VanDerWaalsContact C-N 3.31Å; D189-V191 PolarHBondContact O-N 3.23Å; D189-E192 PolarHBondContact O-N 3.44Å; D189-R193 VanDerWaalsContact O-CG 3.27Å; D189-R193 WeakPolarHBondContact O-CG 3.36Å; D189-R193 PolarHBondContact O-N 3.03Å; D189-R193 IonicContact OD2-NH2 2.81Å; D189-R193 PolarHBondContact OD2-NH2 3.44Å |
| 190 | F | 90.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 176.7 | 178.5 | -89.5 | 0 | 0 | 0 | 110.9 | R186 L187 S188 E192 R193 Q194 I204 F208 C254 I257 | R186-F190 VanDerWaalsContact O-CB 3.31Å; R186-F190 WeakPolarHBondContact O-CB 3.49Å; R186-F190 PolarHBondContact O-N 3.43Å; L187-F190 PolarHBondContact O-N 3.17Å; S188-F190 PolarHBondContact O-N 3.23Å; F190-E192 VanDerWaalsContact C-N 3.27Å; F190-E192 PolarHBondContact O-N 2.93Å; F190-R193 PolarHBondContact O-N 3.33Å; F190-Q194 HydrophobicContact CD1-CG 4Å; F190-Q194 HydrophobicContact CD2-CG 3.84Å; F190-Q194 HydrophobicContact CE1-CB 4.31Å; F190-Q194 HydrophobicContact CE1-CG 3.79Å; F190-Q194 HydrophobicContact CE2-CG 3.62Å; F190-Q194 HydrophobicContact CG-CG 4.04Å; F190-Q194 HydrophobicContact CZ-CB 4.49Å; F190-Q194 HydrophobicContact CZ-CG 3.61Å; F190-Q194 VanDerWaalsContact O-CB 3.29Å; F190-Q194 WeakPolarHBondContact O-CB 3.47Å; F190-Q194 WeakPolarHBondContact O-CG 3.35Å; F190-Q194 PolarHBondContact O-N 2.75Å; F190-I204 HydrophobicContact CE1-CG2 4.19Å; F190-F208 AromaticContact CD1-CD2 3.71Å; F190-F208 HydrophobicContact CD1-CD2 3.71Å; F190-F208 AromaticContact CD1-CE2 3.76Å; F190-F208 HydrophobicContact CD1-CE2 3.76Å; F190-F208 AromaticContact CE1-CD2 3.84Å; F190-F208 HydrophobicContact CE1-CD2 3.84Å; F190-F208 AromaticContact CE1-CE2 3.55Å; F190-F208 HydrophobicContact CE1-CE2 3.55Å; F190-F208 HydrophobicContact CZ-CE2 4.38Å; F190-C254 HydrophobicContact CB-CB 4.19Å; F190-C254 HydrophobicContact CD2-CB 3.68Å; F190-C254 HydrophobicContact CE2-CB 4.15Å; F190-C254 HydrophobicContact CG-CB 3.89Å; F190-C254 VanDerWaalsContact CG-SG 3.59Å; F190-I257 HydrophobicContact CE2-CB 4.16Å; F190-I257 HydrophobicContact CE2-CD1 4.48Å; F190-I257 HydrophobicContact CE2-CG2 3.98Å; F190-I257 HydrophobicContact CZ-CB 4.38Å; F190-I257 HydrophobicContact CZ-CD1 3.92Å; F190-I257 HydrophobicContact CZ-CG2 4.09Å |
| 191 | V | 90.3 | Very high | 85.5 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.6 | -32.6 | 178.5 | 159.3 | 0 | 0 | 0 | 0 | 113.3 | L187 S188 D189 F208 R209 L212 | L187-V191 WeakPolarHBondContact O-CB 3.48Å; L187-V191 VanDerWaalsContact O-CG2 3.26Å; L187-V191 WeakPolarHBondContact O-CG2 3.42Å; L187-V191 PolarHBondContact O-N 2.91Å; S188-V191 WeakPolarHBondContact O-CB 3.31Å; S188-V191 PolarHBondContact O-N 3.25Å; D189-V191 VanDerWaalsContact C-N 3.31Å; D189-V191 PolarHBondContact O-N 3.23Å; V191-F208 HydrophobicContact CG2-CB 3.56Å; V191-F208 HydrophobicContact CG2-CD2 4.38Å; V191-R209 HydrophobicContact CB-CG 4.39Å; V191-R209 HydrophobicContact CG1-CG 3.23Å; V191-R209 HydrophobicContact CG2-CG 4.24Å; V191-R209 PolarHBondContact O-NH2 2.86Å; V191-L212 HydrophobicContact CG2-CD1 4.17Å |
| 192 | E | 88 | Confident | 85.7 | Confident | 139 Ų | 139 | 40.7 Ų | 40.7 | 65% | 0.65 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -77.4 | -42.6 | 176.5 | -72.3 | -178.8 | 176.3 | 0 | 0 | 111.8 | S188 D189 F190 | S188-E192 WeakPolarHBondContact O-CG 3.26Å; S188-E192 PolarHBondContact O-N 3.32Å; D189-E192 PolarHBondContact O-N 3.44Å; F190-E192 VanDerWaalsContact C-N 3.27Å; F190-E192 PolarHBondContact O-N 2.93Å |
| 193 | R | 84.2 | Confident | 85.8 | Confident | 102 Ų | 102 | 41.5 Ų | 41.5 | 39% | 0.385 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.2 | -40.8 | 179.2 | -68.5 | 176.1 | -160.7 | 123.4 | 3.1 | 113 | D189 F190 R195 | D189-R193 VanDerWaalsContact O-CG 3.27Å; D189-R193 WeakPolarHBondContact O-CG 3.36Å; D189-R193 PolarHBondContact O-N 3.03Å; D189-R193 IonicContact OD2-NH2 2.81Å; D189-R193 PolarHBondContact OD2-NH2 3.44Å; F190-R193 PolarHBondContact O-N 3.33Å; R193-R195 VanDerWaalsContact C-N 3.29Å; R193-R195 PolarHBondContact O-N 3.03Å |
| 194 | Q | 75.8 | Confident | 85.9 | Confident | 20 Ų | 20 | 41.2 Ų | 41.2 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -85.9 | 8.7 | -167.9 | -64.2 | -70.3 | -4.5 | 0 | 0 | 114.4 | F190 T196 A197 H201 S205 D258 | F190-Q194 HydrophobicContact CD1-CG 4Å; F190-Q194 HydrophobicContact CD2-CG 3.84Å; F190-Q194 HydrophobicContact CE1-CB 4.31Å; F190-Q194 HydrophobicContact CE1-CG 3.79Å; F190-Q194 HydrophobicContact CE2-CG 3.62Å; F190-Q194 HydrophobicContact CG-CG 4.04Å; F190-Q194 HydrophobicContact CZ-CB 4.49Å; F190-Q194 HydrophobicContact CZ-CG 3.61Å; F190-Q194 VanDerWaalsContact O-CB 3.29Å; F190-Q194 WeakPolarHBondContact O-CB 3.47Å; F190-Q194 WeakPolarHBondContact O-CG 3.35Å; F190-Q194 PolarHBondContact O-N 2.75Å; Q194-T196 PolarHBondContact O-N 3.48Å; Q194-A197 PolarHBondContact O-N 3.27Å; Q194-H201 HydrophobicContact CB-CB 4.45Å; Q194-H201 PolarHBondContact OE1-ND1 3.33Å; Q194-S205 WeakPolarHBondContact CB-OG 3.44Å; Q194-D258 PolarHBondContact NE2-OD1 3.19Å |
| 195 | R | 64.8 | Low | 86 | Confident | 175 Ų | 175 | 41.2 Ų | 41.2 | 66% | 0.66 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -61.7 | -25.6 | 178.7 | -169.3 | 174.4 | 70.6 | 114.5 | -0.9 | 113.4 | R193 | R193-R195 VanDerWaalsContact C-N 3.29Å; R193-R195 PolarHBondContact O-N 3.03Å |
| 196 | T | 69.4 | Low | 86.2 | Confident | 96 Ų | 96 | 42.8 Ų | 42.8 | 59% | 0.589 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -120 | 10.5 | -173.8 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | Q194 Y316 | Q194-T196 PolarHBondContact O-N 3.48Å; T196-Y316 VanDerWaalsContact O-CE1 3.32Å; T196-Y316 WeakPolarHBondContact O-CE1 3.39Å |
| 197 | A | 77.9 | Confident | 86.3 | Confident | 25 Ų | 25 | 40.3 Ų | 40.3 | 21% | 0.207 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -88.7 | -18.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q194 H201 | Q194-A197 PolarHBondContact O-N 3.27Å; A197-H201 HydrophobicContact CB-CB 4.12Å; A197-H201 WeakPolarHBondContact CB-ND1 3.41Å |
| 198 | G | 84.5 | Confident | 86.4 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | trans | 162 | 162.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S202 E318 | G198-S202 VanDerWaalsContact O-CB 3.26Å; G198-S202 WeakPolarHBondContact O-CB 3.08Å; G198-S202 PolarHBondContact O-N 3.05Å; G198-E318 WeakPolarHBondContact CA-OE1 3.41Å | ||
| 199 | I | 87 | Confident | 86.5 | Confident | 57 Ų | 57 | 43 Ų | 43 | 29% | 0.292 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.7 | -45.3 | 174.7 | -53.1 | 173.9 | 0 | 0 | 0 | 109.1 | H201 S202 E203 A298 F302 Y316 E318 | I199-H201 PolarHBondContact O-N 2.87Å; I199-S202 WeakPolarHBondContact O-CB 3.29Å; I199-S202 PolarHBondContact O-N 3.23Å; I199-E203 PolarHBondContact O-N 3.38Å; I199-A298 HydrophobicContact CG2-CB 3.84Å; I199-F302 HydrophobicContact CD1-CD2 4.34Å; I199-Y316 HydrophobicContact CG1-CD2 4.11Å; I199-Y316 HydrophobicContact CG1-CE2 4.24Å; I199-E318 WeakPolarHBondContact CA-OE2 3.46Å; I199-E318 VanDerWaalsContact CB-OE2 3.24Å; I199-E318 WeakPolarHBondContact CB-OE2 3.17Å; I199-E318 PolarHBondContact N-OE1 3.21Å; I199-E318 VanDerWaalsContact N-OE1 3.16Å; I199-E318 PolarHBondContact N-OE2 2.6Å |
| 200 | V | 89.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 179.5 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | S202 E203 I204 L268 A295 Y299 E318 | V200-S202 VanDerWaalsContact C-N 3.35Å; V200-E203 PolarHBondContact O-N 2.71Å; V200-I204 HydrophobicContact CG1-CD1 4.05Å; V200-I204 WeakPolarHBondContact O-CD1 3.33Å; V200-I204 VanDerWaalsContact O-CG1 3.26Å; V200-I204 WeakPolarHBondContact O-CG1 3.45Å; V200-I204 PolarHBondContact O-N 2.95Å; V200-L268 HydrophobicContact CG1-CD2 4.5Å; V200-A295 HydrophobicContact CG1-CB 3.84Å; V200-Y299 HydrophobicContact CG2-CD2 4.12Å; V200-E318 VanDerWaalsContact CB-OE1 3.25Å; V200-E318 WeakPolarHBondContact CB-OE1 3.5Å; V200-E318 PolarHBondContact N-OE1 3.07Å; V200-E318 PolarHBondContact N-OE2 2.84Å |
| 201 | H | 90.3 | Very high | 86.5 | Confident | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.028 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67 | -35.1 | 175.5 | -72 | 175.3 | 0 | 0 | 0 | 112.8 | Q194 A197 I199 I204 S205 T262 T267 | Q194-H201 HydrophobicContact CB-CB 4.45Å; Q194-H201 PolarHBondContact OE1-ND1 3.33Å; A197-H201 HydrophobicContact CB-CB 4.12Å; A197-H201 WeakPolarHBondContact CB-ND1 3.41Å; I199-H201 PolarHBondContact O-N 2.87Å; H201-I204 PolarHBondContact O-N 3.42Å; H201-S205 WeakPolarHBondContact O-CB 3.33Å; H201-S205 PolarHBondContact O-N 2.86Å; H201-S205 PolarHBondContact O-OG 3.24Å; H201-T262 PolarHBondContact CE1-O 3.16Å; H201-T262 PolarHBondContact NE2-O 3.48Å; H201-T267 PolarHBondContact NE2-OG1 3.2Å |
| 202 | S | 90.4 | Very high | 86.5 | Confident | 39 Ų | 39 | 48 Ų | 48 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 173.1 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | G198 I199 V200 S205 M206 | G198-S202 VanDerWaalsContact O-CB 3.26Å; G198-S202 WeakPolarHBondContact O-CB 3.08Å; G198-S202 PolarHBondContact O-N 3.05Å; I199-S202 WeakPolarHBondContact O-CB 3.29Å; I199-S202 PolarHBondContact O-N 3.23Å; V200-S202 VanDerWaalsContact C-N 3.35Å; S202-S205 CarbonylContact O-C 3.25Å; S202-S205 WeakPolarHBondContact O-CB 3.48Å; S202-S205 PolarHBondContact O-N 2.96Å; S202-M206 WeakPolarHBondContact O-CG 3.42Å; S202-M206 PolarHBondContact O-N 3.1Å |
| 203 | E | 90.2 | Very high | 86.6 | Confident | 39 Ų | 39 | 48.1 Ų | 48.1 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -43.7 | 175.9 | -70.9 | -48.6 | 128.8 | 0 | 0 | 112.9 | I199 V200 S205 M206 A207 M294 A298 | I199-E203 PolarHBondContact O-N 3.38Å; V200-E203 PolarHBondContact O-N 2.71Å; E203-S205 VanDerWaalsContact C-N 3.28Å; E203-S205 PolarHBondContact O-N 3.02Å; E203-M206 HydrophobicContact CG-CE 4.39Å; E203-M206 PolarHBondContact O-N 2.68Å; E203-M206 VanDerWaalsContact O-N 3.13Å; E203-M206 WeakPolarHBondContact OE1-CE 3.43Å; E203-M206 WeakPolarHBondContact OE2-CE 3.47Å; E203-A207 PolarHBondContact O-N 3.41Å; E203-M294 VanDerWaalsContact OE2-CE 3.3Å; E203-M294 WeakPolarHBondContact OE2-CE 3.24Å; E203-A298 HydrophobicContact CB-CB 4.24Å; E203-A298 HydrophobicContact CG-CB 3.24Å |
| 204 | I | 92.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 174.7 | -66.8 | 162.6 | 0 | 0 | 0 | 110 | F190 V200 H201 M206 A207 F208 T267 I271 V291 A295 | F190-I204 HydrophobicContact CE1-CG2 4.19Å; V200-I204 HydrophobicContact CG1-CD1 4.05Å; V200-I204 WeakPolarHBondContact O-CD1 3.33Å; V200-I204 VanDerWaalsContact O-CG1 3.26Å; V200-I204 WeakPolarHBondContact O-CG1 3.45Å; V200-I204 PolarHBondContact O-N 2.95Å; H201-I204 PolarHBondContact O-N 3.42Å; I204-M206 VanDerWaalsContact C-N 3.3Å; I204-M206 PolarHBondContact O-N 3.26Å; I204-A207 WeakPolarHBondContact O-CB 3.33Å; I204-A207 PolarHBondContact O-N 3.17Å; I204-F208 HydrophobicContact CG2-CD1 4.48Å; I204-F208 HydrophobicContact CG2-CD2 4.08Å; I204-F208 HydrophobicContact CG2-CE1 3.95Å; I204-F208 HydrophobicContact CG2-CE2 3.5Å; I204-F208 HydrophobicContact CG2-CZ 3.43Å; I204-F208 VanDerWaalsContact CG2-CZ 3.43Å; I204-F208 WeakPolarHBondContact O-CG 3.43Å; I204-F208 PolarHBondContact O-N 2.88Å; I204-T267 HydrophobicContact CD1-CG2 3.54Å; I204-I271 HydrophobicContact CD1-CD1 3.71Å; I204-I271 HydrophobicContact CG1-CD1 4.22Å; I204-V291 HydrophobicContact CG1-CG1 4.26Å; I204-V291 HydrophobicContact CG2-CG1 4.13Å; I204-A295 HydrophobicContact CD1-CB 4.09Å; I204-A295 HydrophobicContact CG1-CB 3.74Å |
| 205 | S | 92.5 | Very high | 87.3 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -38.3 | 176.7 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | Q194 H201 S202 E203 F208 R209 | Q194-S205 WeakPolarHBondContact CB-OG 3.44Å; H201-S205 WeakPolarHBondContact O-CB 3.33Å; H201-S205 PolarHBondContact O-N 2.86Å; H201-S205 PolarHBondContact O-OG 3.24Å; S202-S205 CarbonylContact O-C 3.25Å; S202-S205 WeakPolarHBondContact O-CB 3.48Å; S202-S205 PolarHBondContact O-N 2.96Å; E203-S205 VanDerWaalsContact C-N 3.28Å; E203-S205 PolarHBondContact O-N 3.02Å; S205-F208 PolarHBondContact O-N 3.04Å; S205-R209 WeakPolarHBondContact O-CB 3.48Å; S205-R209 WeakPolarHBondContact O-CG 3.32Å; S205-R209 PolarHBondContact O-N 2.68Å |
| 206 | M | 91.5 | Very high | 88.3 | Confident | 81 Ų | 81 | 42.4 Ų | 42.4 | 40% | 0.399 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.9 | -39.2 | 174.9 | -73.4 | -163.6 | -65.6 | 0 | 0 | 112.6 | S202 E203 I204 R209 K210 | S202-M206 WeakPolarHBondContact O-CG 3.42Å; S202-M206 PolarHBondContact O-N 3.1Å; E203-M206 HydrophobicContact CG-CE 4.39Å; E203-M206 PolarHBondContact O-N 2.68Å; E203-M206 VanDerWaalsContact O-N 3.13Å; E203-M206 WeakPolarHBondContact OE1-CE 3.43Å; E203-M206 WeakPolarHBondContact OE2-CE 3.47Å; I204-M206 VanDerWaalsContact C-N 3.3Å; I204-M206 PolarHBondContact O-N 3.26Å; M206-R209 PolarHBondContact O-N 3.24Å; M206-K210 PolarHBondContact O-N 2.88Å |
| 207 | A | 91.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.9 | -47 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | E203 I204 K210 F211 V291 M294 | E203-A207 PolarHBondContact O-N 3.41Å; I204-A207 WeakPolarHBondContact O-CB 3.33Å; I204-A207 PolarHBondContact O-N 3.17Å; A207-K210 WeakPolarHBondContact O-CB 3.27Å; A207-K210 PolarHBondContact O-N 3.45Å; A207-K210 VanDerWaalsContact O-N 3.16Å; A207-F211 WeakPolarHBondContact O-CD2 3.35Å; A207-F211 PolarHBondContact O-N 2.99Å; A207-V291 HydrophobicContact CB-CG2 4.12Å; A207-M294 HydrophobicContact CB-CG 4.35Å |
| 208 | F | 94 | Very high | 89.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 177.1 | -64.7 | -9.2 | 0 | 0 | 0 | 112.8 | F190 V191 I204 S205 K210 F211 L212 L250 L253 C254 V291 | F190-F208 AromaticContact CD1-CD2 3.71Å; F190-F208 HydrophobicContact CD1-CD2 3.71Å; F190-F208 AromaticContact CD1-CE2 3.76Å; F190-F208 HydrophobicContact CD1-CE2 3.76Å; F190-F208 AromaticContact CE1-CD2 3.84Å; F190-F208 HydrophobicContact CE1-CD2 3.84Å; F190-F208 AromaticContact CE1-CE2 3.55Å; F190-F208 HydrophobicContact CE1-CE2 3.55Å; F190-F208 HydrophobicContact CZ-CE2 4.38Å; V191-F208 HydrophobicContact CG2-CB 3.56Å; V191-F208 HydrophobicContact CG2-CD2 4.38Å; I204-F208 HydrophobicContact CG2-CD1 4.48Å; I204-F208 HydrophobicContact CG2-CD2 4.08Å; I204-F208 HydrophobicContact CG2-CE1 3.95Å; I204-F208 HydrophobicContact CG2-CE2 3.5Å; I204-F208 HydrophobicContact CG2-CZ 3.43Å; I204-F208 VanDerWaalsContact CG2-CZ 3.43Å; I204-F208 WeakPolarHBondContact O-CG 3.43Å; I204-F208 PolarHBondContact O-N 2.88Å; S205-F208 PolarHBondContact O-N 3.04Å; F208-K210 PolarHBondContact O-N 3.48Å; F208-F211 PolarHBondContact O-N 3.44Å; F208-F211 VanDerWaalsContact O-N 3.15Å; F208-L212 WeakPolarHBondContact O-CG 3.42Å; F208-L212 PolarHBondContact O-N 2.97Å; F208-L250 HydrophobicContact CD1-CD1 4.5Å; F208-L250 HydrophobicContact CD1-CD2 4.16Å; F208-L250 HydrophobicContact CE1-CD2 3.66Å; F208-L250 HydrophobicContact CZ-CD2 4.43Å; F208-L253 HydrophobicContact CE1-CD2 4.39Å; F208-L253 HydrophobicContact CZ-CD2 3.91Å; F208-L253 HydrophobicContact CZ-CG 4.37Å; F208-C254 WeakPolarHBondContact CE2-SG 3.42Å; F208-V291 HydrophobicContact CD1-CG2 4.19Å; F208-V291 HydrophobicContact CE1-CG1 3.94Å; F208-V291 HydrophobicContact CE1-CG2 3.73Å; F208-V291 HydrophobicContact CZ-CG1 4.42Å |
| 209 | R | 92.2 | Very high | 89.5 | Confident | 87 Ų | 87 | 46 Ų | 46 | 33% | 0.328 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.6 | -38.7 | 172.3 | -77.2 | 173.1 | -165.4 | -123.2 | -10 | 111.6 | V191 S205 M206 L212 R213 | V191-R209 HydrophobicContact CB-CG 4.39Å; V191-R209 HydrophobicContact CG1-CG 3.23Å; V191-R209 HydrophobicContact CG2-CG 4.24Å; V191-R209 PolarHBondContact O-NH2 2.86Å; S205-R209 WeakPolarHBondContact O-CB 3.48Å; S205-R209 WeakPolarHBondContact O-CG 3.32Å; S205-R209 PolarHBondContact O-N 2.68Å; M206-R209 PolarHBondContact O-N 3.24Å; R209-L212 PolarHBondContact O-N 3.5Å; R209-R213 WeakPolarHBondContact O-CB 3.49Å; R209-R213 WeakPolarHBondContact O-CG 3.49Å; R209-R213 PolarHBondContact O-N 2.69Å |
| 210 | K | 89.8 | Confident | 89.4 | Confident | 87 Ų | 87 | 47.6 Ų | 47.6 | 38% | 0.378 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.5 | -48.4 | 177.3 | -173.3 | -175.6 | 171.3 | -170.7 | 0 | 111.1 | M206 A207 F208 L212 R213 E214 | M206-K210 PolarHBondContact O-N 2.88Å; A207-K210 WeakPolarHBondContact O-CB 3.27Å; A207-K210 PolarHBondContact O-N 3.45Å; A207-K210 VanDerWaalsContact O-N 3.16Å; F208-K210 PolarHBondContact O-N 3.48Å; K210-L212 PolarHBondContact O-N 2.83Å; K210-R213 PolarHBondContact O-N 2.95Å; K210-E214 VanDerWaalsContact CE-OE1 3.32Å; K210-E214 WeakPolarHBondContact CE-OE1 3.27Å; K210-E214 WeakPolarHBondContact O-CG 3.2Å; K210-E214 PolarHBondContact O-N 3.48Å |
| 211 | F | 89.8 | Confident | 89.2 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 175.7 | -71.2 | -68.6 | 0 | 0 | 0 | 112.7 | A207 F208 R213 E214 H215 L250 I287 V291 | A207-F211 WeakPolarHBondContact O-CD2 3.35Å; A207-F211 PolarHBondContact O-N 2.99Å; F208-F211 PolarHBondContact O-N 3.44Å; F208-F211 VanDerWaalsContact O-N 3.15Å; F211-R213 PolarHBondContact O-N 3.31Å; F211-E214 PolarHBondContact O-N 3.25Å; F211-H215 PolarHBondContact O-N 3.39Å; F211-L250 HydrophobicContact CB-CD1 4.34Å; F211-L250 HydrophobicContact CD2-CD1 4.11Å; F211-L250 HydrophobicContact CG-CD1 4.19Å; F211-I287 HydrophobicContact CE1-CB 4.39Å; F211-I287 HydrophobicContact CE1-CD1 4.08Å; F211-I287 HydrophobicContact CE1-CG1 3.86Å; F211-I287 HydrophobicContact CE1-CG2 3.89Å; F211-I287 HydrophobicContact CE2-CG2 3.84Å; F211-I287 HydrophobicContact CZ-CB 4.07Å; F211-I287 HydrophobicContact CZ-CG1 3.98Å; F211-I287 HydrophobicContact CZ-CG2 3.46Å; F211-I287 VanDerWaalsContact CZ-CG2 3.46Å; F211-V291 HydrophobicContact CE2-CG2 4.24Å |
| 212 | L | 91 | Very high | 89.1 | Confident | 18 Ų | 18 | 51.3 Ų | 51.3 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.9 | -71.4 | 169.8 | 0 | 0 | 0 | 111.6 | V184 L187 V191 F208 R209 K210 H215 L216 F247 | V184-L212 HydrophobicContact CG1-CD2 4.08Å; L187-L212 HydrophobicContact CB-CD1 4.29Å; L187-L212 HydrophobicContact CB-CD2 4.05Å; L187-L212 HydrophobicContact CB-CG 4.45Å; L187-L212 HydrophobicContact CD2-CD2 4.41Å; V191-L212 HydrophobicContact CG2-CD1 4.17Å; F208-L212 WeakPolarHBondContact O-CG 3.42Å; F208-L212 PolarHBondContact O-N 2.97Å; R209-L212 PolarHBondContact O-N 3.5Å; K210-L212 PolarHBondContact O-N 2.83Å; L212-H215 PolarHBondContact O-N 3.09Å; L212-L216 WeakPolarHBondContact O-CG 3.29Å; L212-L216 PolarHBondContact O-N 2.96Å; L212-F247 HydrophobicContact CD2-CE1 4.33Å |
| 213 | R | 89.8 | Confident | 88.9 | Confident | 142 Ų | 142 | 54 Ų | 54 | 54% | 0.536 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 175.7 | -76.4 | -170.8 | -59.2 | -97.1 | 1.4 | 112.4 | R209 K210 F211 H215 L216 V217 | R209-R213 WeakPolarHBondContact O-CB 3.49Å; R209-R213 WeakPolarHBondContact O-CG 3.49Å; R209-R213 PolarHBondContact O-N 2.69Å; K210-R213 PolarHBondContact O-N 2.95Å; F211-R213 PolarHBondContact O-N 3.31Å; R213-H215 VanDerWaalsContact C-N 3.29Å; R213-H215 PolarHBondContact O-N 3.41Å; R213-L216 PolarHBondContact O-N 3.35Å; R213-V217 WeakPolarHBondContact O-CG2 3.29Å; R213-V217 PolarHBondContact O-N 3.24Å |
| 214 | E | 87.4 | Confident | 88.8 | Confident | 90 Ų | 90 | 58.8 Ų | 58.8 | 42% | 0.421 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 176.3 | -71.4 | 171 | -169.6 | 0 | 0 | 111 | K210 F211 V217 H218 | K210-E214 VanDerWaalsContact CE-OE1 3.32Å; K210-E214 WeakPolarHBondContact CE-OE1 3.27Å; K210-E214 WeakPolarHBondContact O-CG 3.2Å; K210-E214 PolarHBondContact O-N 3.48Å; F211-E214 PolarHBondContact O-N 3.25Å; E214-V217 WeakPolarHBondContact O-CB 3.19Å; E214-V217 PolarHBondContact O-N 3.41Å; E214-H218 PolarHBondContact O-CD2 2.92Å; E214-H218 PolarHBondContact O-N 2.89Å |
| 215 | H | 87.6 | Confident | 88.6 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 173.3 | -179.6 | 68.9 | 0 | 0 | 0 | 113.7 | L138 F211 L212 R213 V217 H218 G219 W222 F247 | L138-H215 PolarHBondContact O-NE2 2.92Å; F211-H215 PolarHBondContact O-N 3.39Å; L212-H215 PolarHBondContact O-N 3.09Å; R213-H215 VanDerWaalsContact C-N 3.29Å; R213-H215 PolarHBondContact O-N 3.41Å; H215-V217 VanDerWaalsContact C-N 3.3Å; H215-V217 PolarHBondContact O-N 3Å; H215-H218 WeakPolarHBondContact O-CB 3.41Å; H215-H218 PolarHBondContact O-N 2.91Å; H215-G219 PolarHBondContact O-N 3.16Å; H215-W222 AromaticContact CE1-CH2 3.7Å; H215-W222 AromaticContact CE1-CZ3 3.83Å; H215-F247 HydrophobicContact CB-CE2 4.37Å; H215-F247 HydrophobicContact CB-CZ 3.67Å; H215-F247 AromaticContact CD2-CZ 3.89Å; H215-F247 AromaticContact CE1-CE2 3.93Å; H215-F247 AromaticContact CG-CE2 3.89Å; H215-F247 AromaticContact CG-CZ 3.48Å; H215-F247 VanDerWaalsContact CG-CZ 3.48Å; H215-F247 AromaticContact ND1-CE2 3.58Å; H215-F247 AromaticContact ND1-CZ 3.7Å |
| 216 | L | 86.2 | Confident | 88.2 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 41% | 0.414 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.1 | -37 | 174.1 | -70.8 | 176.1 | 0 | 0 | 0 | 112.1 | Q139 L212 R213 H218 G219 V220 | Q139-L216 HydrophobicContact CB-CD2 4.07Å; Q139-L216 HydrophobicContact CG-CD2 3.89Å; L212-L216 WeakPolarHBondContact O-CG 3.29Å; L212-L216 PolarHBondContact O-N 2.96Å; R213-L216 PolarHBondContact O-N 3.35Å; L216-H218 VanDerWaalsContact C-N 3.32Å; L216-H218 PolarHBondContact O-N 2.87Å; L216-G219 WeakPolarHBondContact O-CA 3.35Å; L216-G219 PolarHBondContact O-N 3.22Å; L216-G219 VanDerWaalsContact O-N 3.1Å; L216-V220 PolarHBondContact O-N 3.15Å |
| 217 | V | 86.3 | Confident | 88 | Confident | 101 Ų | 101 | 61.1 Ų | 61.1 | 61% | 0.612 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.6 | -42.1 | 173.7 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | R213 E214 H215 G219 V220 E221 | R213-V217 WeakPolarHBondContact O-CG2 3.29Å; R213-V217 PolarHBondContact O-N 3.24Å; E214-V217 WeakPolarHBondContact O-CB 3.19Å; E214-V217 PolarHBondContact O-N 3.41Å; H215-V217 VanDerWaalsContact C-N 3.3Å; H215-V217 PolarHBondContact O-N 3Å; V217-G219 VanDerWaalsContact C-N 3.31Å; V217-G219 PolarHBondContact O-N 2.93Å; V217-V220 PolarHBondContact O-N 3.46Å; V217-E221 PolarHBondContact O-N 3.06Å |
| 218 | H | 83.6 | Confident | 87.8 | Confident | 97 Ų | 97 | 63.5 Ų | 63.5 | 45% | 0.449 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 171.8 | -64.5 | -52.7 | 0 | 0 | 0 | 112.5 | E214 H215 L216 V220 E221 W222 | E214-H218 PolarHBondContact O-CD2 2.92Å; E214-H218 PolarHBondContact O-N 2.89Å; H215-H218 WeakPolarHBondContact O-CB 3.41Å; H215-H218 PolarHBondContact O-N 2.91Å; L216-H218 VanDerWaalsContact C-N 3.32Å; L216-H218 PolarHBondContact O-N 2.87Å; H218-V220 VanDerWaalsContact C-N 3.31Å; H218-V220 PolarHBondContact O-N 3.27Å; H218-E221 PolarHBondContact O-N 2.85Å; H218-E221 VanDerWaalsContact O-N 3.16Å; H218-W222 HydrophobicContact CB-CH2 4.33Å; H218-W222 HydrophobicContact CB-CZ2 4.01Å; H218-W222 VanDerWaalsContact O-CG 3.27Å; H218-W222 PolarHBondContact O-N 3.35Å |
| 219 | G | 85.6 | Confident | 87.2 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.5 | -36.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | H215 L216 V217 R223 | H215-G219 PolarHBondContact O-N 3.16Å; L216-G219 WeakPolarHBondContact O-CA 3.35Å; L216-G219 PolarHBondContact O-N 3.22Å; L216-G219 VanDerWaalsContact O-N 3.1Å; V217-G219 VanDerWaalsContact C-N 3.31Å; V217-G219 PolarHBondContact O-N 2.93Å; G219-R223 PolarHBondContact O-N 2.85Å; G219-R223 VanDerWaalsContact O-N 3.12Å |
| 220 | V | 85.1 | Confident | 86.8 | Confident | 91 Ų | 91 | 71.3 Ų | 71.3 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.9 | -43.2 | 173.5 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | L216 V217 H218 W222 R223 R224 | L216-V220 PolarHBondContact O-N 3.15Å; V217-V220 PolarHBondContact O-N 3.46Å; H218-V220 VanDerWaalsContact C-N 3.31Å; H218-V220 PolarHBondContact O-N 3.27Å; V220-W222 PolarHBondContact O-N 2.95Å; V220-R223 PolarHBondContact O-N 2.98Å; V220-R224 PolarHBondContact O-N 3.48Å |
| 221 | E | 85.3 | Confident | 86.4 | Confident | 76 Ų | 76 | 67.7 Ų | 67.7 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 178 | -179.9 | 59.5 | -171.9 | 0 | 0 | 112.1 | V217 H218 R223 R224 L225 | V217-E221 PolarHBondContact O-N 3.06Å; H218-E221 PolarHBondContact O-N 2.85Å; H218-E221 VanDerWaalsContact O-N 3.16Å; E221-R223 VanDerWaalsContact C-N 3.34Å; E221-R223 PolarHBondContact O-N 2.75Å; E221-R224 WeakPolarHBondContact O-CB 3.47Å; E221-R224 PolarHBondContact O-N 3.24Å; E221-R224 IonicContact OE1-CZ 3.82Å; E221-R224 IonicContact OE1-NE 2.98Å; E221-R224 PolarHBondContact OE1-NE 2.81Å; E221-R224 IonicContact OE1-NH2 2.76Å; E221-R224 PolarHBondContact OE1-NH2 3.34Å; E221-R224 IonicContact OE2-CZ 3.37Å; E221-R224 IonicContact OE2-NE 3.03Å; E221-R224 PolarHBondContact OE2-NE 3.37Å; E221-R224 IonicContact OE2-NH2 3.41Å; E221-L225 HydrophobicContact CG-CD1 4.41Å; E221-L225 WeakPolarHBondContact O-CG 3.4Å; E221-L225 PolarHBondContact O-N 3.28Å |
| 222 | W | 88.8 | Confident | 86 | Confident | 9 Ų | 9 | 69.6 Ų | 69.6 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 174.2 | -60.4 | -27.6 | 0 | 0 | 0 | 112.3 | L135 L138 H215 H218 V220 R224 L225 L226 L231 L236 Y239 | L135-W222 HydrophobicContact CD1-CB 4.3Å; L135-W222 HydrophobicContact CD2-CB 3.6Å; L135-W222 HydrophobicContact CD2-CD2 4.24Å; L135-W222 HydrophobicContact CD2-CE3 3.72Å; L135-W222 HydrophobicContact CD2-CG 4.25Å; L138-W222 HydrophobicContact CD1-CE3 4.41Å; L138-W222 HydrophobicContact CD1-CZ3 4Å; H215-W222 AromaticContact CE1-CH2 3.7Å; H215-W222 AromaticContact CE1-CZ3 3.83Å; H218-W222 HydrophobicContact CB-CH2 4.33Å; H218-W222 HydrophobicContact CB-CZ2 4.01Å; H218-W222 VanDerWaalsContact O-CG 3.27Å; H218-W222 PolarHBondContact O-N 3.35Å; V220-W222 PolarHBondContact O-N 2.95Å; W222-R224 VanDerWaalsContact C-N 3.31Å; W222-R224 PolarHBondContact O-N 3.42Å; W222-L225 PolarHBondContact O-N 3.02Å; W222-L226 WeakPolarHBondContact O-CB 3.42Å; W222-L226 PolarHBondContact O-N 3.45Å; W222-L231 HydrophobicContact CB-CD2 4.16Å; W222-L236 HydrophobicContact CB-CD1 4.35Å; W222-L236 HydrophobicContact CD2-CD1 3.56Å; W222-L236 HydrophobicContact CE3-CD1 3.83Å; W222-L236 HydrophobicContact CG-CD1 3.8Å; W222-L236 HydrophobicContact CZ2-CD1 4.46Å; W222-L236 HydrophobicContact CZ3-CD1 4.39Å; W222-Y239 AromaticContact NE1-CD2 3.75Å; W222-Y239 AromaticContact NE1-CG 3.81Å |
| 223 | R | 85.5 | Confident | 85.5 | Confident | 95 Ų | 95 | 70 Ų | 70 | 36% | 0.358 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 173.4 | -81.4 | -163.4 | -90 | -131.3 | -1.9 | 112.2 | L135 Q139 G219 V220 E221 L226 A227 | L135-R223 HydrophobicContact CD1-CG 3.89Å; Q139-R223 VanDerWaalsContact CD-NH2 3.26Å; Q139-R223 VanDerWaalsContact NE2-NH2 3.14Å; G219-R223 PolarHBondContact O-N 2.85Å; G219-R223 VanDerWaalsContact O-N 3.12Å; V220-R223 PolarHBondContact O-N 2.98Å; E221-R223 VanDerWaalsContact C-N 3.34Å; E221-R223 PolarHBondContact O-N 2.75Å; R223-L226 PolarHBondContact O-N 3.27Å; R223-A227 PolarHBondContact O-N 3.44Å |
| 224 | R | 88.7 | Confident | 85.2 | Confident | 139 Ų | 139 | 68.1 Ų | 68.1 | 53% | 0.525 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 175 | -168.1 | -172.2 | 70.8 | 77.4 | -1.2 | 111.4 | V220 E221 W222 L226 A227 S228 | V220-R224 PolarHBondContact O-N 3.48Å; E221-R224 WeakPolarHBondContact O-CB 3.47Å; E221-R224 PolarHBondContact O-N 3.24Å; E221-R224 IonicContact OE1-CZ 3.82Å; E221-R224 IonicContact OE1-NE 2.98Å; E221-R224 PolarHBondContact OE1-NE 2.81Å; E221-R224 IonicContact OE1-NH2 2.76Å; E221-R224 PolarHBondContact OE1-NH2 3.34Å; E221-R224 IonicContact OE2-CZ 3.37Å; E221-R224 IonicContact OE2-NE 3.03Å; E221-R224 PolarHBondContact OE2-NE 3.37Å; E221-R224 IonicContact OE2-NH2 3.41Å; W222-R224 VanDerWaalsContact C-N 3.31Å; W222-R224 PolarHBondContact O-N 3.42Å; R224-L226 VanDerWaalsContact C-N 3.35Å; R224-A227 PolarHBondContact O-N 3.29Å; R224-S228 PolarHBondContact O-N 3.24Å; R224-S228 VanDerWaalsContact O-N 3.15Å; R224-S228 PolarHBondContact O-OG 2.75Å |
| 225 | L | 88 | Confident | 85 | Confident | 29 Ų | 29 | 65.3 Ų | 65.3 | 15% | 0.152 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.8 | -34.7 | 178.3 | -68.2 | 172.8 | 0 | 0 | 0 | 112.8 | E221 W222 S228 D229 Q230 L231 | E221-L225 HydrophobicContact CG-CD1 4.41Å; E221-L225 WeakPolarHBondContact O-CG 3.4Å; E221-L225 PolarHBondContact O-N 3.28Å; W222-L225 PolarHBondContact O-N 3.02Å; L225-S228 WeakPolarHBondContact CA-OG 3.38Å; L225-S228 PolarHBondContact O-N 3.01Å; L225-S228 PolarHBondContact O-OG 3.12Å; L225-D229 PolarHBondContact O-N 2.86Å; L225-Q230 HydrophobicContact CD2-CB 4.26Å; L225-Q230 PolarHBondContact O-N 3.43Å; L225-L231 HydrophobicContact CB-CB 3.88Å; L225-L231 HydrophobicContact CB-CD1 4.29Å; L225-L231 HydrophobicContact CD1-CD1 4.41Å; L225-L231 PolarHBondContact O-N 3.3Å; L225-L231 VanDerWaalsContact O-N 3.14Å |
| 226 | L | 84.7 | Confident | 84.8 | Confident | 17 Ų | 17 | 65 Ų | 65 | 9% | 0.089 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 173.8 | -174.4 | 64.2 | 0 | 0 | 0 | 111.2 | R128 I131 L135 W222 R223 R224 S228 D229 L231 | R128-L226 HydrophobicContact CG-CD1 3.88Å; R128-L226 HydrophobicContact CG-CD2 4.48Å; R128-L226 HydrophobicContact CG-CG 4.15Å; I131-L226 HydrophobicContact CB-CD1 4.1Å; I131-L226 HydrophobicContact CG2-CD1 3.76Å; I131-L226 HydrophobicContact CG2-CD2 4.11Å; L135-L226 HydrophobicContact CD1-CB 4.44Å; L135-L226 HydrophobicContact CD1-CD2 3.87Å; W222-L226 WeakPolarHBondContact O-CB 3.42Å; W222-L226 PolarHBondContact O-N 3.45Å; R223-L226 PolarHBondContact O-N 3.27Å; R224-L226 VanDerWaalsContact C-N 3.35Å; L226-S228 VanDerWaalsContact C-N 3.26Å; L226-S228 PolarHBondContact O-N 3.2Å; L226-D229 PolarHBondContact O-N 3.03Å; L226-D229 VanDerWaalsContact O-N 3.17Å; L226-L231 HydrophobicContact CB-CB 4.25Å; L226-L231 HydrophobicContact CB-CD2 4.06Å; L226-L231 HydrophobicContact CD1-CB 4.46Å; L226-L231 HydrophobicContact CD1-CD2 4.46Å |
| 227 | A | 86.5 | Confident | 84.8 | Confident | 87 Ų | 87 | 64 Ų | 64 | 72% | 0.719 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.4 | -27.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R223 R224 | R223-A227 PolarHBondContact O-N 3.44Å; R224-A227 PolarHBondContact O-N 3.29Å |
| 228 | S | 88.2 | Confident | 84.7 | Confident | 51 Ų | 51 | 64.8 Ų | 64.8 | 36% | 0.357 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 8.6 | 174.3 | 61.2 | 0 | 0 | 0 | 0 | 114.4 | R224 L225 L226 Q230 | R224-S228 PolarHBondContact O-N 3.24Å; R224-S228 VanDerWaalsContact O-N 3.15Å; R224-S228 PolarHBondContact O-OG 2.75Å; L225-S228 WeakPolarHBondContact CA-OG 3.38Å; L225-S228 PolarHBondContact O-N 3.01Å; L225-S228 PolarHBondContact O-OG 3.12Å; L226-S228 VanDerWaalsContact C-N 3.26Å; L226-S228 PolarHBondContact O-N 3.2Å; S228-Q230 WeakPolarHBondContact O-CG 3.32Å; S228-Q230 PolarHBondContact O-N 3.22Å; S228-Q230 VanDerWaalsContact O-N 3.09Å; S228-Q230 PolarHBondContact O-NE2 2.95Å |
| 229 | D | 80.7 | Confident | 84.7 | Confident | 118 Ų | 118 | 65.2 Ų | 65.2 | 63% | 0.631 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 25.7 | -175 | -64.7 | -38.2 | 0 | 0 | 0 | 114.4 | L225 L226 | L225-D229 PolarHBondContact O-N 2.86Å; L226-D229 PolarHBondContact O-N 3.03Å; L226-D229 VanDerWaalsContact O-N 3.17Å |
| 230 | Q | 83.7 | Confident | 84.7 | Confident | 134 Ų | 134 | 65.1 Ų | 65.1 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | trans | -99.3 | -13.9 | 178.5 | -61.6 | -54.4 | -60.6 | 0 | 0 | 112.8 | L225 S228 T232 | L225-Q230 HydrophobicContact CD2-CB 4.26Å; L225-Q230 PolarHBondContact O-N 3.43Å; S228-Q230 WeakPolarHBondContact O-CG 3.32Å; S228-Q230 PolarHBondContact O-N 3.22Å; S228-Q230 VanDerWaalsContact O-N 3.09Å; S228-Q230 PolarHBondContact O-NE2 2.95Å; Q230-T232 PolarHBondContact O-N 3.34Å | ||
| 231 | L | 81.3 | Confident | 84.7 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | trans | -82.9 | 98.6 | 178.8 | -169.2 | 70.7 | 0 | 0 | 0 | 110.5 | I131 L135 W222 L225 L226 L236 | I131-L231 HydrophobicContact CG2-CD2 3.82Å; L135-L231 HydrophobicContact CD1-CD2 4.22Å; W222-L231 HydrophobicContact CB-CD2 4.16Å; L225-L231 HydrophobicContact CB-CB 3.88Å; L225-L231 HydrophobicContact CB-CD1 4.29Å; L225-L231 HydrophobicContact CD1-CD1 4.41Å; L225-L231 PolarHBondContact O-N 3.3Å; L225-L231 VanDerWaalsContact O-N 3.14Å; L226-L231 HydrophobicContact CB-CB 4.25Å; L226-L231 HydrophobicContact CB-CD2 4.06Å; L226-L231 HydrophobicContact CD1-CB 4.46Å; L226-L231 HydrophobicContact CD1-CD2 4.46Å; L231-L236 HydrophobicContact CD1-CB 4.08Å; L231-L236 HydrophobicContact CD1-CD1 4.39Å; L231-L236 HydrophobicContact CD2-CD1 4.43Å; L231-L236 HydrophobicContact CG-CB 4.39Å | ||
| 232 | T | 81.2 | Confident | 84.4 | Confident | 68 Ų | 68 | 64.1 Ų | 64.1 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | trans | -82.3 | 157.6 | 165.8 | 64.6 | 0 | 0 | 0 | 0 | 110.2 | Q230 Q234 S235 L236 | Q230-T232 PolarHBondContact O-N 3.34Å; T232-Q234 PolarHBondContact O-N 3.49Å; T232-S235 PolarHBondContact N-OG 3.06Å; T232-S235 PolarHBondContact O-N 2.99Å; T232-S235 PolarHBondContact O-OG 3.28Å; T232-S235 PolarHBondContact OG1-N 2.95Å; T232-S235 PolarHBondContact OG1-OG 3.45Å; T232-L236 PolarHBondContact O-N 3.05Å | ||
| 233 | Y | 81.5 | Confident | 84.3 | Confident | 26 Ų | 26 | 65.1 Ų | 65.1 | 10% | 0.102 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.3 | -40.8 | 172.1 | 166.3 | -91.9 | 0 | 0 | 0 | 112.1 | F173 F177 S235 L236 W237 | F173-Y233 AromaticContact CD1-CD2 3.5Å; F173-Y233 HydrophobicContact CD1-CD2 3.5Å; F173-Y233 VanDerWaalsContact CD1-CD2 3.5Å; F173-Y233 AromaticContact CD1-CE2 3.45Å; F173-Y233 HydrophobicContact CD1-CE2 3.45Å; F173-Y233 VanDerWaalsContact CD1-CE2 3.45Å; F173-Y233 HydrophobicContact CD1-CG 4.1Å; F173-Y233 HydrophobicContact CD2-CD1 4.02Å; F173-Y233 HydrophobicContact CD2-CD2 4.23Å; F173-Y233 AromaticContact CD2-CE1 3.72Å; F173-Y233 HydrophobicContact CD2-CE1 3.72Å; F173-Y233 AromaticContact CD2-CE2 3.86Å; F173-Y233 HydrophobicContact CD2-CE2 3.86Å; F173-Y233 HydrophobicContact CD2-CG 4.27Å; F173-Y233 AromaticContact CD2-CZ 3.62Å; F173-Y233 AromaticContact CE1-CD1 3.96Å; F173-Y233 HydrophobicContact CE1-CD1 3.96Å; F173-Y233 AromaticContact CE1-CD2 3Å; F173-Y233 HydrophobicContact CE1-CD2 3Å; F173-Y233 HydrophobicContact CE1-CE1 4.4Å; F173-Y233 AromaticContact CE1-CE2 3.49Å; F173-Y233 HydrophobicContact CE1-CE2 3.49Å; F173-Y233 VanDerWaalsContact CE1-CE2 3.49Å; F173-Y233 AromaticContact CE1-CG 3.25Å; F173-Y233 HydrophobicContact CE1-CG 3.25Å; F173-Y233 AromaticContact CE2-CD1 3.2Å; F173-Y233 HydrophobicContact CE2-CD1 3.2Å; F173-Y233 AromaticContact CE2-CD2 3.81Å; F173-Y233 HydrophobicContact CE2-CD2 3.81Å; F173-Y233 AromaticContact CE2-CE1 3.35Å; F173-Y233 HydrophobicContact CE2-CE1 3.35Å; F173-Y233 AromaticContact CE2-CE2 3.87Å; F173-Y233 HydrophobicContact CE2-CE2 3.87Å; F173-Y233 AromaticContact CE2-CG 3.45Å; F173-Y233 HydrophobicContact CE2-CG 3.45Å; F173-Y233 VanDerWaalsContact CE2-CG 3.45Å; F173-Y233 AromaticContact CE2-CZ 3.69Å; F173-Y233 HydrophobicContact CG-CD2 4.12Å; F173-Y233 HydrophobicContact CG-CE1 4.41Å; F173-Y233 AromaticContact CG-CE2 3.7Å; F173-Y233 HydrophobicContact CG-CE2 3.7Å; F173-Y233 AromaticContact CG-CZ 3.9Å; F173-Y233 AromaticContact CZ-CD1 3.21Å; F173-Y233 HydrophobicContact CZ-CD1 3.21Å; F173-Y233 AromaticContact CZ-CD2 3.24Å; F173-Y233 HydrophobicContact CZ-CD2 3.24Å; F173-Y233 AromaticContact CZ-CE1 3.8Å; F173-Y233 HydrophobicContact CZ-CE1 3.8Å; F173-Y233 AromaticContact CZ-CE2 3.74Å; F173-Y233 HydrophobicContact CZ-CE2 3.74Å; F173-Y233 AromaticContact CZ-CG 2.89Å; F173-Y233 HydrophobicContact CZ-CG 2.89Å; F173-Y233 WeakPolarHBondContact O-CE2 3.46Å; F173-Y233 VanDerWaalsContact O-CZ 3.23Å; F173-Y233 PolarHBondContact O-OH 3.4Å; F177-Y233 HydrophobicContact CD2-CE2 4.03Å; F177-Y233 AromaticContact CE2-CD2 3.87Å; F177-Y233 HydrophobicContact CE2-CD2 3.87Å; F177-Y233 AromaticContact CE2-CE2 3.08Å; F177-Y233 HydrophobicContact CE2-CE2 3.08Å; F177-Y233 AromaticContact CE2-CZ 3.54Å; F177-Y233 AromaticContact CZ-CD2 3.96Å; F177-Y233 HydrophobicContact CZ-CD2 3.96Å; F177-Y233 AromaticContact CZ-CE2 3.63Å; F177-Y233 HydrophobicContact CZ-CE2 3.63Å; Y233-S235 VanDerWaalsContact C-N 3.32Å; Y233-S235 PolarHBondContact O-N 3.23Å; Y233-L236 PolarHBondContact O-N 3.34Å; Y233-W237 HydrophobicContact CE1-CB 4.37Å; Y233-W237 WeakPolarHBondContact O-CB 3.22Å; Y233-W237 PolarHBondContact O-N 3.02Å |
| 234 | Q | 84.4 | Confident | 84.4 | Confident | 102 Ų | 102 | 64.8 Ų | 64.8 | 48% | 0.477 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | -178.1 | -63.8 | 86.6 | -16.3 | 0 | 0 | 111 | T232 L238 | T232-Q234 PolarHBondContact O-N 3.49Å; Q234-L238 WeakPolarHBondContact O-CB 3.26Å; Q234-L238 PolarHBondContact O-N 2.76Å |
| 235 | S | 82 | Confident | 84.4 | Confident | 31 Ų | 31 | 64.2 Ų | 64.2 | 22% | 0.217 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67 | -44.8 | 175.3 | 65.6 | 0 | 0 | 0 | 0 | 111.1 | T232 Y233 W237 L238 Y239 | T232-S235 PolarHBondContact N-OG 3.06Å; T232-S235 PolarHBondContact O-N 2.99Å; T232-S235 PolarHBondContact O-OG 3.28Å; T232-S235 PolarHBondContact OG1-N 2.95Å; T232-S235 PolarHBondContact OG1-OG 3.45Å; Y233-S235 VanDerWaalsContact C-N 3.32Å; Y233-S235 PolarHBondContact O-N 3.23Å; S235-W237 PolarHBondContact O-N 2.87Å; S235-L238 PolarHBondContact O-N 2.87Å; S235-Y239 WeakPolarHBondContact O-CD2 3.39Å; S235-Y239 PolarHBondContact O-N 2.83Å |
| 236 | L | 84.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 175.4 | -174.3 | 64.5 | 0 | 0 | 0 | 112.2 | I131 L134 L135 L138 F177 W222 L231 T232 Y233 L238 Y239 L240 | I131-L236 HydrophobicContact CG2-CD2 4.35Å; L134-L236 HydrophobicContact CD2-CD2 3.9Å; L134-L236 HydrophobicContact CG-CD2 4.49Å; L135-L236 HydrophobicContact CD2-CD1 3.98Å; L135-L236 HydrophobicContact CD2-CD2 4.23Å; L138-L236 HydrophobicContact CD1-CD1 4.46Å; L138-L236 HydrophobicContact CD1-CD2 4.45Å; F177-L236 HydrophobicContact CE1-CD2 3.89Å; F177-L236 HydrophobicContact CE1-CG 3.93Å; F177-L236 HydrophobicContact CZ-CD2 4.45Å; F177-L236 HydrophobicContact CZ-CG 4.49Å; W222-L236 HydrophobicContact CB-CD1 4.35Å; W222-L236 HydrophobicContact CD2-CD1 3.56Å; W222-L236 HydrophobicContact CE3-CD1 3.83Å; W222-L236 HydrophobicContact CG-CD1 3.8Å; W222-L236 HydrophobicContact CZ2-CD1 4.46Å; W222-L236 HydrophobicContact CZ3-CD1 4.39Å; L231-L236 HydrophobicContact CD1-CB 4.08Å; L231-L236 HydrophobicContact CD1-CD1 4.39Å; L231-L236 HydrophobicContact CD2-CD1 4.43Å; L231-L236 HydrophobicContact CG-CB 4.39Å; T232-L236 PolarHBondContact O-N 3.05Å; Y233-L236 PolarHBondContact O-N 3.34Å; L236-L238 VanDerWaalsContact C-N 3.35Å; L236-L238 PolarHBondContact O-N 3.45Å; L236-Y239 PolarHBondContact O-N 3.4Å; L236-L240 WeakPolarHBondContact O-CB 3.48Å; L236-L240 PolarHBondContact O-N 3.32Å |
| 237 | W | 86.2 | Confident | 84.9 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 22% | 0.22 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 177.6 | -178.2 | -118.2 | 0 | 0 | 0 | 112 | P176 F177 Y233 S235 L240 Q241 | P176-W237 VanDerWaalsContact C-CZ3 3.47Å; P176-W237 HydrophobicContact CB-CE3 4.3Å; P176-W237 HydrophobicContact CB-CH2 3.13Å; P176-W237 HydrophobicContact CB-CZ2 3.64Å; P176-W237 HydrophobicContact CB-CZ3 3.52Å; P176-W237 HydrophobicContact CG-CH2 4.49Å; P176-W237 VanDerWaalsContact O-CH2 3.26Å; P176-W237 WeakPolarHBondContact O-CH2 3.43Å; P176-W237 VanDerWaalsContact O-CZ3 3.23Å; P176-W237 WeakPolarHBondContact O-CZ3 3.48Å; F177-W237 HydrophobicContact CD1-CE3 4.39Å; F177-W237 AromaticContact CD2-CE3 3.91Å; F177-W237 HydrophobicContact CD2-CE3 3.91Å; F177-W237 HydrophobicContact CD2-CZ3 4.07Å; F177-W237 HydrophobicContact CE1-CE3 4.03Å; F177-W237 HydrophobicContact CE2-CB 4.4Å; F177-W237 HydrophobicContact CE2-CD2 4.16Å; F177-W237 AromaticContact CE2-CE3 3.42Å; F177-W237 HydrophobicContact CE2-CE3 3.42Å; F177-W237 VanDerWaalsContact CE2-CE3 3.42Å; F177-W237 HydrophobicContact CE2-CZ3 4.05Å; F177-W237 HydrophobicContact CG-CE3 4.34Å; F177-W237 HydrophobicContact CG-CZ3 4.36Å; F177-W237 HydrophobicContact CZ-CB 3.86Å; F177-W237 HydrophobicContact CZ-CD2 4.25Å; F177-W237 AromaticContact CZ-CE3 3.55Å; F177-W237 HydrophobicContact CZ-CE3 3.55Å; F177-W237 HydrophobicContact CZ-CG 4.44Å; F177-W237 HydrophobicContact CZ-CZ3 4.45Å; Y233-W237 HydrophobicContact CE1-CB 4.37Å; Y233-W237 WeakPolarHBondContact O-CB 3.22Å; Y233-W237 PolarHBondContact O-N 3.02Å; S235-W237 PolarHBondContact O-N 2.87Å; W237-L240 HydrophobicContact CE3-CB 4.49Å; W237-L240 HydrophobicContact CE3-CD2 4.17Å; W237-L240 HydrophobicContact CZ3-CD2 4.1Å; W237-L240 PolarHBondContact O-N 2.93Å; W237-L240 VanDerWaalsContact O-N 3.15Å; W237-Q241 WeakPolarHBondContact O-CG 3.45Å; W237-Q241 PolarHBondContact O-N 3.38Å |
| 238 | L | 84.4 | Confident | 85.2 | Confident | 118 Ų | 118 | 63.3 Ų | 63.3 | 62% | 0.618 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.9 | -44.3 | 176.7 | -177 | 66.1 | 0 | 0 | 0 | 111.7 | Q234 S235 L236 L240 Q241 | Q234-L238 WeakPolarHBondContact O-CB 3.26Å; Q234-L238 PolarHBondContact O-N 2.76Å; S235-L238 PolarHBondContact O-N 2.87Å; L236-L238 VanDerWaalsContact C-N 3.35Å; L236-L238 PolarHBondContact O-N 3.45Å; L238-L240 VanDerWaalsContact C-N 3.28Å; L238-L240 PolarHBondContact O-N 3.24Å; L238-Q241 PolarHBondContact O-N 3.04Å |
| 239 | Y | 83.3 | Confident | 85.5 | Confident | 107 Ų | 107 | 61 Ų | 61 | 42% | 0.42 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 173.1 | -73.1 | -63.7 | 0 | 0 | 0 | 111.8 | W222 S235 L236 S242 | W222-Y239 AromaticContact NE1-CD2 3.75Å; W222-Y239 AromaticContact NE1-CG 3.81Å; S235-Y239 WeakPolarHBondContact O-CD2 3.39Å; S235-Y239 PolarHBondContact O-N 2.83Å; L236-Y239 PolarHBondContact O-N 3.4Å; Y239-S242 PolarHBondContact O-OG 3.41Å |
| 240 | L | 84.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72 | -29.2 | -179.6 | -163.2 | 64.3 | 0 | 0 | 0 | 112.9 | L138 F177 V180 L236 W237 L238 S242 T243 R244 | L138-L240 HydrophobicContact CD2-CD1 3.74Å; L138-L240 HydrophobicContact CD2-CD2 4Å; F177-L240 HydrophobicContact CB-CD2 4.32Å; F177-L240 HydrophobicContact CD1-CD2 3.23Å; F177-L240 HydrophobicContact CE1-CD2 3.62Å; F177-L240 HydrophobicContact CG-CD2 3.96Å; V180-L240 HydrophobicContact CB-CD1 4.01Å; V180-L240 HydrophobicContact CB-CD2 4.09Å; V180-L240 HydrophobicContact CB-CG 4.2Å; V180-L240 HydrophobicContact CG1-CD1 3.54Å; V180-L240 HydrophobicContact CG1-CG 4.21Å; V180-L240 HydrophobicContact CG2-CD1 4.2Å; V180-L240 HydrophobicContact CG2-CD2 3.97Å; V180-L240 HydrophobicContact CG2-CG 3.93Å; L236-L240 WeakPolarHBondContact O-CB 3.48Å; L236-L240 PolarHBondContact O-N 3.32Å; W237-L240 HydrophobicContact CE3-CB 4.49Å; W237-L240 HydrophobicContact CE3-CD2 4.17Å; W237-L240 HydrophobicContact CZ3-CD2 4.1Å; W237-L240 PolarHBondContact O-N 2.93Å; W237-L240 VanDerWaalsContact O-N 3.15Å; L238-L240 VanDerWaalsContact C-N 3.28Å; L238-L240 PolarHBondContact O-N 3.24Å; L240-S242 VanDerWaalsContact C-N 3.31Å; L240-S242 PolarHBondContact O-N 3.47Å; L240-T243 PolarHBondContact O-N 3.14Å; L240-T243 PolarHBondContact O-OG1 3.02Å; L240-R244 VanDerWaalsContact O-CB 3.24Å; L240-R244 WeakPolarHBondContact O-CB 3.28Å; L240-R244 PolarHBondContact O-N 3.2Å |
| 241 | Q | 85.1 | Confident | 86.6 | Confident | 72 Ų | 72 | 49 Ų | 49 | 34% | 0.336 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.6 | -39.5 | 178.2 | -75 | -47.4 | -80.5 | 0 | 0 | 112.7 | W237 L238 | W237-Q241 WeakPolarHBondContact O-CG 3.45Å; W237-Q241 PolarHBondContact O-N 3.38Å; L238-Q241 PolarHBondContact O-N 3.04Å |
| 242 | S | 79.8 | Confident | 87.2 | Confident | 73 Ų | 73 | 53.6 Ų | 53.6 | 51% | 0.51 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.6 | -34.6 | -178.2 | 63.7 | 0 | 0 | 0 | 0 | 112 | Y239 L240 | Y239-S242 PolarHBondContact O-OG 3.41Å; L240-S242 VanDerWaalsContact C-N 3.31Å; L240-S242 PolarHBondContact O-N 3.47Å |
| 243 | T | 85.3 | Confident | 87.9 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 19% | 0.19 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -89.1 | -23.9 | -179.1 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | L240 K245 V246 F247 | L240-T243 PolarHBondContact O-N 3.14Å; L240-T243 PolarHBondContact O-OG1 3.02Å; T243-K245 VanDerWaalsContact C-N 3.32Å; T243-K245 PolarHBondContact O-N 3.13Å; T243-V246 WeakPolarHBondContact O-CB 3.26Å; T243-V246 PolarHBondContact O-N 3.21Å; T243-F247 WeakPolarHBondContact O-CD2 3.45Å; T243-F247 PolarHBondContact O-N 3.47Å |
| 244 | R | 87.5 | Confident | 88.4 | Confident | 88 Ų | 88 | 49.1 Ų | 49.1 | 33% | 0.332 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -53 | -44.9 | -178.4 | 175.8 | 170.6 | -174.7 | -159.8 | 5.2 | 113.2 | V180 L240 V246 R248 | V180-R244 HydrophobicContact CG2-CB 3.82Å; V180-R244 HydrophobicContact CG2-CG 3.69Å; L240-R244 VanDerWaalsContact O-CB 3.24Å; L240-R244 WeakPolarHBondContact O-CB 3.28Å; L240-R244 PolarHBondContact O-N 3.2Å; R244-V246 VanDerWaalsContact C-N 3.31Å; R244-V246 PolarHBondContact O-N 3.4Å; R244-R248 WeakPolarHBondContact O-CB 3.33Å; R244-R248 PolarHBondContact O-N 2.91Å |
| 245 | K | 89.5 | Confident | 88.8 | Confident | 127 Ų | 127 | 47 Ų | 47 | 55% | 0.552 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63.2 | -39.5 | 179.4 | -70.5 | -176.6 | 179.1 | -179.4 | 0 | 111.9 | T243 C249 V284 | T243-K245 VanDerWaalsContact C-N 3.32Å; T243-K245 PolarHBondContact O-N 3.13Å; K245-C249 WeakPolarHBondContact O-CB 3.38Å; K245-C249 PolarHBondContact O-N 2.96Å; K245-V284 HydrophobicContact CB-CG2 4.48Å |
| 246 | V | 90.8 | Very high | 89.3 | Confident | 17 Ų | 17 | 47 Ų | 47 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.8 | -51.7 | 178.6 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | T243 R244 R248 C249 L250 I283 I287 | T243-V246 WeakPolarHBondContact O-CB 3.26Å; T243-V246 PolarHBondContact O-N 3.21Å; R244-V246 VanDerWaalsContact C-N 3.31Å; R244-V246 PolarHBondContact O-N 3.4Å; V246-R248 PolarHBondContact O-N 3.3Å; V246-C249 WeakPolarHBondContact O-CB 3.44Å; V246-C249 PolarHBondContact O-N 3.29Å; V246-C249 VanDerWaalsContact O-N 3.08Å; V246-L250 HydrophobicContact CG1-CD1 4.09Å; V246-L250 HydrophobicContact CG1-CG 4.42Å; V246-L250 WeakPolarHBondContact O-CG 3.3Å; V246-L250 PolarHBondContact O-N 2.85Å; V246-I283 HydrophobicContact CG2-CG2 3.79Å; V246-I287 HydrophobicContact CB-CD1 4.12Å; V246-I287 HydrophobicContact CG1-CD1 3.39Å; V246-I287 HydrophobicContact CG1-CG2 4.28Å; V246-I287 HydrophobicContact CG2-CD1 3.57Å |
| 247 | F | 92.8 | Very high | 89.6 | Confident | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.039 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 177.8 | -80.1 | -61.4 | 0 | 0 | 0 | 112.2 | V180 D183 V184 L187 L212 H215 T243 C249 L250 A251 | V180-F247 HydrophobicContact CG1-CB 4.42Å; V180-F247 HydrophobicContact CG1-CD2 3.9Å; V180-F247 HydrophobicContact CG1-CG 4.37Å; D183-F247 HydrophobicContact CB-CB 3.91Å; V184-F247 HydrophobicContact CG2-CD1 3.82Å; V184-F247 HydrophobicContact CG2-CD2 4.24Å; V184-F247 HydrophobicContact CG2-CE1 3.68Å; V184-F247 HydrophobicContact CG2-CE2 4.09Å; V184-F247 HydrophobicContact CG2-CG 4.11Å; V184-F247 HydrophobicContact CG2-CZ 3.82Å; L187-F247 HydrophobicContact CD1-CD1 4.36Å; L187-F247 HydrophobicContact CD2-CD1 4.14Å; L187-F247 HydrophobicContact CD2-CE1 4.33Å; L212-F247 HydrophobicContact CD2-CE1 4.33Å; H215-F247 HydrophobicContact CB-CE2 4.37Å; H215-F247 HydrophobicContact CB-CZ 3.67Å; H215-F247 AromaticContact CD2-CZ 3.89Å; H215-F247 AromaticContact CE1-CE2 3.93Å; H215-F247 AromaticContact CG-CE2 3.89Å; H215-F247 AromaticContact CG-CZ 3.48Å; H215-F247 VanDerWaalsContact CG-CZ 3.48Å; H215-F247 AromaticContact ND1-CE2 3.58Å; H215-F247 AromaticContact ND1-CZ 3.7Å; T243-F247 WeakPolarHBondContact O-CD2 3.45Å; T243-F247 PolarHBondContact O-N 3.47Å; F247-C249 VanDerWaalsContact C-N 3.25Å; F247-C249 PolarHBondContact O-N 3.48Å; F247-L250 PolarHBondContact O-N 3.38Å; F247-A251 VanDerWaalsContact O-CB 3.26Å; F247-A251 WeakPolarHBondContact O-CB 3.48Å; F247-A251 PolarHBondContact O-N 3.2Å |
| 248 | R | 93.5 | Very high | 89.8 | Confident | 88 Ų | 88 | 45.5 Ų | 45.5 | 33% | 0.332 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.1 | -36.4 | 175.1 | 179 | 52.8 | 53.3 | 150.8 | -3.1 | 112.6 | D183 R244 V246 R252 | D183-R248 IonicContact OD1-CZ 3.65Å; D183-R248 VanDerWaalsContact OD1-CZ 3.25Å; D183-R248 IonicContact OD1-NE 3.01Å; D183-R248 PolarHBondContact OD1-NE 3.49Å; D183-R248 IonicContact OD1-NH2 3.33Å; D183-R248 PolarHBondContact OD1-NH2 2.98Å; D183-R248 WeakPolarHBondContact OD2-CA 3.11Å; D183-R248 IonicContact OD2-CZ 2.66Å; D183-R248 IonicContact OD2-NE 3.25Å; D183-R248 PolarHBondContact OD2-NE 2.88Å; D183-R248 IonicContact OD2-NH2 3.64Å; D183-R248 PolarHBondContact OD2-NH2 2.76Å; R244-R248 WeakPolarHBondContact O-CB 3.33Å; R244-R248 PolarHBondContact O-N 2.91Å; V246-R248 PolarHBondContact O-N 3.3Å; R248-R252 WeakPolarHBondContact O-CB 3.2Å; R248-R252 WeakPolarHBondContact O-CG 3.48Å; R248-R252 PolarHBondContact O-N 3.2Å; R248-R252 VanDerWaalsContact O-N 3.16Å; R248-R252 PolarHBondContact O-NE 2.82Å |
| 249 | C | 93.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.6 | -51.9 | 176.5 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | K245 V246 F247 A251 R252 L253 F274 Y278 V284 I288 | K245-C249 WeakPolarHBondContact O-CB 3.38Å; K245-C249 PolarHBondContact O-N 2.96Å; V246-C249 WeakPolarHBondContact O-CB 3.44Å; V246-C249 PolarHBondContact O-N 3.29Å; V246-C249 VanDerWaalsContact O-N 3.08Å; F247-C249 VanDerWaalsContact C-N 3.25Å; F247-C249 PolarHBondContact O-N 3.48Å; C249-A251 PolarHBondContact O-N 2.84Å; C249-R252 PolarHBondContact O-N 2.95Å; C249-L253 PolarHBondContact O-N 3.47Å; C249-F274 VanDerWaalsContact O-CZ 3.28Å; C249-F274 WeakPolarHBondContact O-CZ 3.44Å; C249-F274 VanDerWaalsContact SG-CE1 3.54Å; C249-Y278 HydrophobicContact CB-CE1 4.38Å; C249-V284 HydrophobicContact CB-CG1 3.89Å; C249-V284 WeakPolarHBondContact SG-CG1 3.3Å; C249-I288 VanDerWaalsContact SG-CD1 3.59Å |
| 250 | L | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 179.9 | -64.4 | -179.6 | 0 | 0 | 0 | 111.8 | L187 F208 F211 V246 F247 R252 L253 C254 I287 V291 | L187-L250 HydrophobicContact CD1-CB 4Å; L187-L250 HydrophobicContact CD2-CB 3.73Å; L187-L250 HydrophobicContact CD2-CD1 3.78Å; L187-L250 HydrophobicContact CD2-CG 4.42Å; L187-L250 HydrophobicContact CG-CB 4.15Å; F208-L250 HydrophobicContact CD1-CD1 4.5Å; F208-L250 HydrophobicContact CD1-CD2 4.16Å; F208-L250 HydrophobicContact CE1-CD2 3.66Å; F208-L250 HydrophobicContact CZ-CD2 4.43Å; F211-L250 HydrophobicContact CB-CD1 4.34Å; F211-L250 HydrophobicContact CD2-CD1 4.11Å; F211-L250 HydrophobicContact CG-CD1 4.19Å; V246-L250 HydrophobicContact CG1-CD1 4.09Å; V246-L250 HydrophobicContact CG1-CG 4.42Å; V246-L250 WeakPolarHBondContact O-CG 3.3Å; V246-L250 PolarHBondContact O-N 2.85Å; F247-L250 PolarHBondContact O-N 3.38Å; L250-R252 PolarHBondContact O-N 3.47Å; L250-L253 WeakPolarHBondContact O-CB 3.43Å; L250-L253 PolarHBondContact O-N 3.26Å; L250-L253 VanDerWaalsContact O-N 3.12Å; L250-C254 PolarHBondContact O-N 3.49Å; L250-C254 PolarHBondContact O-SG 3.45Å; L250-I287 HydrophobicContact CD1-CG2 4.42Å; L250-I287 HydrophobicContact CD2-CG2 3.95Å; L250-I287 HydrophobicContact CG-CG2 4.45Å; L250-V291 HydrophobicContact CD2-CG2 4.36Å |
| 251 | A | 93.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D183 L187 F247 C249 L253 C254 E255 | D183-A251 HydrophobicContact CB-CB 3.92Å; L187-A251 HydrophobicContact CD1-CB 3.83Å; F247-A251 VanDerWaalsContact O-CB 3.26Å; F247-A251 WeakPolarHBondContact O-CB 3.48Å; F247-A251 PolarHBondContact O-N 3.2Å; C249-A251 PolarHBondContact O-N 2.84Å; A251-L253 VanDerWaalsContact C-N 3.29Å; A251-L253 PolarHBondContact O-N 3.23Å; A251-C254 WeakPolarHBondContact O-CB 3.42Å; A251-C254 PolarHBondContact O-N 2.95Å; A251-E255 WeakPolarHBondContact O-CG 3.27Å; A251-E255 PolarHBondContact O-N 2.85Å |
| 252 | R | 94.5 | Very high | 90.4 | Very high | 106 Ų | 106 | 51.5 Ų | 51.5 | 40% | 0.4 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.3 | -33.4 | 174.1 | -79.8 | -170 | -74.7 | 170.1 | -11.1 | 113 | R248 C249 L250 S256 F274 Y278 | R248-R252 WeakPolarHBondContact O-CB 3.2Å; R248-R252 WeakPolarHBondContact O-CG 3.48Å; R248-R252 PolarHBondContact O-N 3.2Å; R248-R252 VanDerWaalsContact O-N 3.16Å; R248-R252 PolarHBondContact O-NE 2.82Å; C249-R252 PolarHBondContact O-N 2.95Å; L250-R252 PolarHBondContact O-N 3.47Å; R252-S256 WeakPolarHBondContact O-CB 3.41Å; R252-S256 PolarHBondContact O-N 2.98Å; R252-S256 PolarHBondContact O-OG 3.47Å; R252-F274 HydrophobicContact CB-CE2 3.92Å; R252-F274 HydrophobicContact CB-CZ 3.82Å; R252-Y278 PolarHBondContact NE-OH 2.94Å; R252-Y278 PolarHBondContact NH1-OH 2.95Å; R252-Y278 PolarHBondContact NH2-OH 3.16Å |
| 253 | L | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.9 | -47.1 | 173.1 | 179 | 57.6 | 0 | 0 | 0 | 110.4 | F208 C249 L250 A251 E255 S256 I257 L270 I271 F274 V291 | F208-L253 HydrophobicContact CE1-CD2 4.39Å; F208-L253 HydrophobicContact CZ-CD2 3.91Å; F208-L253 HydrophobicContact CZ-CG 4.37Å; C249-L253 PolarHBondContact O-N 3.47Å; L250-L253 WeakPolarHBondContact O-CB 3.43Å; L250-L253 PolarHBondContact O-N 3.26Å; L250-L253 VanDerWaalsContact O-N 3.12Å; A251-L253 VanDerWaalsContact C-N 3.29Å; A251-L253 PolarHBondContact O-N 3.23Å; L253-E255 PolarHBondContact O-N 3.39Å; L253-S256 PolarHBondContact O-N 2.94Å; L253-S256 VanDerWaalsContact O-N 3.12Å; L253-I257 HydrophobicContact CD1-CD1 4.11Å; L253-I257 HydrophobicContact CD1-CG1 4.3Å; L253-I257 HydrophobicContact CG-CD1 4.05Å; L253-I257 WeakPolarHBondContact O-CG1 3.46Å; L253-I257 PolarHBondContact O-N 3.37Å; L253-L270 HydrophobicContact CD1-CD2 3.51Å; L253-I271 HydrophobicContact CD1-CG1 4.01Å; L253-I271 HydrophobicContact CD2-CG1 4.38Å; L253-F274 HydrophobicContact CB-CD1 4.27Å; L253-F274 HydrophobicContact CB-CE1 3.9Å; L253-F274 HydrophobicContact CB-CZ 4.07Å; L253-F274 HydrophobicContact CD1-CB 4.36Å; L253-F274 HydrophobicContact CD1-CD1 4.15Å; L253-F274 HydrophobicContact CD1-CG 4.14Å; L253-V291 HydrophobicContact CD2-CG1 4.22Å |
| 254 | C | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.2 | -49 | 173.5 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | F190 F208 L250 A251 S256 I257 D258 | F190-C254 HydrophobicContact CB-CB 4.19Å; F190-C254 HydrophobicContact CD2-CB 3.68Å; F190-C254 HydrophobicContact CE2-CB 4.15Å; F190-C254 HydrophobicContact CG-CB 3.89Å; F190-C254 VanDerWaalsContact CG-SG 3.59Å; F208-C254 WeakPolarHBondContact CE2-SG 3.42Å; L250-C254 PolarHBondContact O-N 3.49Å; L250-C254 PolarHBondContact O-SG 3.45Å; A251-C254 WeakPolarHBondContact O-CB 3.42Å; A251-C254 PolarHBondContact O-N 2.95Å; C254-S256 VanDerWaalsContact C-N 3.27Å; C254-S256 PolarHBondContact O-N 2.85Å; C254-I257 PolarHBondContact O-N 2.96Å; C254-D258 WeakPolarHBondContact O-CB 3.44Å; C254-D258 VanDerWaalsContact O-CG 3.27Å; C254-D258 PolarHBondContact O-N 3.29Å |
| 255 | E | 92.2 | Very high | 90.5 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 28% | 0.276 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.5 | -39.6 | 176.8 | -74.6 | -178.5 | -145.7 | 0 | 0 | 112.8 | A251 L253 K259 | A251-E255 WeakPolarHBondContact O-CG 3.27Å; A251-E255 PolarHBondContact O-N 2.85Å; L253-E255 PolarHBondContact O-N 3.39Å; E255-K259 VanDerWaalsContact O-CB 3.24Å; E255-K259 WeakPolarHBondContact O-CB 3.29Å; E255-K259 WeakPolarHBondContact O-CD 3.33Å; E255-K259 WeakPolarHBondContact O-CG 3.44Å; E255-K259 PolarHBondContact O-N 3.29Å; E255-K259 IonicContact OE2-NZ 2.86Å; E255-K259 PolarHBondContact OE2-NZ 3.49Å |
| 256 | S | 92.5 | Very high | 90.4 | Very high | 29 Ų | 29 | 44.6 Ų | 44.6 | 20% | 0.203 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.3 | -40.6 | -179.3 | -60 | 0 | 0 | 0 | 0 | 111 | R252 L253 C254 Q260 | R252-S256 WeakPolarHBondContact O-CB 3.41Å; R252-S256 PolarHBondContact O-N 2.98Å; R252-S256 PolarHBondContact O-OG 3.47Å; L253-S256 PolarHBondContact O-N 2.94Å; L253-S256 VanDerWaalsContact O-N 3.12Å; C254-S256 VanDerWaalsContact C-N 3.27Å; C254-S256 PolarHBondContact O-N 2.85Å; S256-Q260 WeakPolarHBondContact O-CB 3.19Å; S256-Q260 WeakPolarHBondContact O-CG 3.25Å; S256-Q260 PolarHBondContact O-N 3Å; S256-Q260 VanDerWaalsContact O-N 3.1Å |
| 257 | I | 91.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -47.6 | 175.1 | -66 | 168.7 | 0 | 0 | 0 | 110.1 | F190 L253 C254 K259 Q260 Q261 T267 L270 | F190-I257 HydrophobicContact CE2-CB 4.16Å; F190-I257 HydrophobicContact CE2-CD1 4.48Å; F190-I257 HydrophobicContact CE2-CG2 3.98Å; F190-I257 HydrophobicContact CZ-CB 4.38Å; F190-I257 HydrophobicContact CZ-CD1 3.92Å; F190-I257 HydrophobicContact CZ-CG2 4.09Å; L253-I257 HydrophobicContact CD1-CD1 4.11Å; L253-I257 HydrophobicContact CD1-CG1 4.3Å; L253-I257 HydrophobicContact CG-CD1 4.05Å; L253-I257 WeakPolarHBondContact O-CG1 3.46Å; L253-I257 PolarHBondContact O-N 3.37Å; C254-I257 PolarHBondContact O-N 2.96Å; I257-K259 PolarHBondContact O-N 3.16Å; I257-Q260 PolarHBondContact O-N 2.9Å; I257-Q261 WeakPolarHBondContact O-CA 3.45Å; I257-Q261 PolarHBondContact O-N 3.33Å; I257-T267 HydrophobicContact CD1-CG2 4.18Å; I257-T267 HydrophobicContact CG1-CG2 4.3Å; I257-L270 HydrophobicContact CG1-CD1 4.47Å; I257-L270 HydrophobicContact CG1-CD2 3.97Å |
| 258 | D | 89.4 | Confident | 90.2 | Very high | 28 Ų | 28 | 43.5 Ų | 43.5 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66 | -38.5 | -179.5 | -67.4 | -26.7 | 0 | 0 | 0 | 112.1 | R186 Q194 C254 Q261 | R186-D258 IonicContact CZ-OD2 2.88Å; R186-D258 IonicContact NE-OD2 2.68Å; R186-D258 IonicContact NH2-OD2 3.28Å; R186-D258 PolarHBondContact NH2-OD2 3.46Å; Q194-D258 PolarHBondContact NE2-OD1 3.19Å; C254-D258 WeakPolarHBondContact O-CB 3.44Å; C254-D258 VanDerWaalsContact O-CG 3.27Å; C254-D258 PolarHBondContact O-N 3.29Å; D258-Q261 PolarHBondContact O-NE2 2.84Å |
| 259 | K | 90.3 | Very high | 89.9 | Confident | 155 Ų | 155 | 42.5 Ų | 42.5 | 67% | 0.674 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -68.3 | -40 | 178.4 | -77.2 | 166.1 | -178.5 | 160.9 | 0 | 112.6 | E255 I257 | E255-K259 VanDerWaalsContact O-CB 3.24Å; E255-K259 WeakPolarHBondContact O-CB 3.29Å; E255-K259 WeakPolarHBondContact O-CD 3.33Å; E255-K259 WeakPolarHBondContact O-CG 3.44Å; E255-K259 PolarHBondContact O-N 3.29Å; E255-K259 IonicContact OE2-NZ 2.86Å; E255-K259 PolarHBondContact OE2-NZ 3.49Å; I257-K259 PolarHBondContact O-N 3.16Å |
| 260 | Q | 87.8 | Confident | 89.8 | Confident | 124 Ų | 124 | 42.8 Ų | 42.8 | 58% | 0.579 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -92.6 | -10.8 | -175.8 | -65.3 | -178.3 | 40.9 | 0 | 0 | 113.3 | S256 I257 T262 L270 | S256-Q260 WeakPolarHBondContact O-CB 3.19Å; S256-Q260 WeakPolarHBondContact O-CG 3.25Å; S256-Q260 PolarHBondContact O-N 3Å; S256-Q260 VanDerWaalsContact O-N 3.1Å; I257-Q260 PolarHBondContact O-N 2.9Å; Q260-T262 HydrophobicContact CB-CG2 3.7Å; Q260-T262 PolarHBondContact O-N 3.48Å; Q260-T262 VanDerWaalsContact O-N 3.12Å; Q260-L270 HydrophobicContact CB-CD1 4.14Å; Q260-L270 HydrophobicContact CG-CD1 4.28Å |
| 261 | Q | 85.7 | Confident | 89.7 | Confident | 131 Ų | 131 | 42.8 Ų | 42.8 | 61% | 0.612 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 37.6 | -177 | -64.9 | -68.6 | -43.4 | 0 | 0 | 112.1 | I257 D258 | I257-Q261 WeakPolarHBondContact O-CA 3.45Å; I257-Q261 PolarHBondContact O-N 3.33Å; D258-Q261 PolarHBondContact O-NE2 2.84Å |
| 262 | T | 86.8 | Confident | 89.5 | Confident | 13 Ų | 13 | 44 Ų | 44 | 8% | 0.08 | 21% | 0.205 | C | C | . | . | trans | -69.1 | 142.7 | -177.4 | 52.7 | 0 | 0 | 0 | 0 | 110.9 | H201 Q260 A266 T267 L270 | H201-T262 PolarHBondContact CE1-O 3.16Å; H201-T262 PolarHBondContact NE2-O 3.48Å; Q260-T262 HydrophobicContact CB-CG2 3.7Å; Q260-T262 PolarHBondContact O-N 3.48Å; Q260-T262 VanDerWaalsContact O-N 3.12Å; T262-A266 HydrophobicContact CG2-CB 4.16Å; T262-T267 VanDerWaalsContact C-OG1 3.25Å; T262-T267 PolarHBondContact O-OG1 2.9Å; T262-T267 PolarHBondContact OG1-OG1 3.5Å; T262-L270 HydrophobicContact CG2-CB 4.35Å; T262-L270 HydrophobicContact CG2-CD1 3.73Å | ||
| 263 | R | 85.5 | Confident | 89.3 | Confident | 133 Ų | 133 | 44.7 Ų | 44.7 | 50% | 0.502 | 21% | 0.211 | S | C | . | . | trans | -125.2 | 150.2 | 173.6 | -68 | -172.8 | 177 | 137 | 3.3 | 111.5 | G265 A266 T267 | R263-G265 PolarHBondContact O-N 3.46Å; R263-G265 VanDerWaalsContact O-N 3.16Å; R263-A266 WeakPolarHBondContact O-CB 3.32Å; R263-A266 PolarHBondContact O-N 2.99Å; R263-T267 WeakPolarHBondContact CA-OG1 3.4Å; R263-T267 PolarHBondContact N-OG1 3.39Å; R263-T267 PolarHBondContact O-N 3.24Å | ||
| 264 | G | 84.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | 45.4 | -116.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A266 T267 L268 E318 | G264-A266 VanDerWaalsContact C-N 3.3Å; G264-A266 PolarHBondContact O-N 3.08Å; G264-T267 PolarHBondContact N-OG1 3.27Å; G264-T267 WeakPolarHBondContact O-CA 3.39Å; G264-T267 VanDerWaalsContact O-CB 3.26Å; G264-T267 WeakPolarHBondContact O-CB 3.25Å; G264-T267 PolarHBondContact O-N 3.03Å; G264-L268 PolarHBondContact O-N 3.49Å; G264-L268 VanDerWaalsContact O-N 3.14Å; G264-E318 WeakPolarHBondContact CA-O 3.47Å |
| 265 | G | 84.7 | Confident | 89 | Confident | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.9 | -33.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R263 T267 L268 E269 E318 | R263-G265 PolarHBondContact O-N 3.46Å; R263-G265 VanDerWaalsContact O-N 3.16Å; G265-T267 VanDerWaalsContact C-N 3.3Å; G265-T267 PolarHBondContact O-N 2.75Å; G265-L268 WeakPolarHBondContact O-CB 3.26Å; G265-L268 PolarHBondContact O-N 3.21Å; G265-E269 PolarHBondContact O-N 2.97Å; G265-E318 PolarHBondContact N-O 3.4Å |
| 266 | A | 86.3 | Confident | 89 | Confident | 39 Ų | 39 | 47.4 Ų | 47.4 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.3 | -33.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T262 R263 G264 E269 L270 | T262-A266 HydrophobicContact CG2-CB 4.16Å; R263-A266 WeakPolarHBondContact O-CB 3.32Å; R263-A266 PolarHBondContact O-N 2.99Å; G264-A266 VanDerWaalsContact C-N 3.3Å; G264-A266 PolarHBondContact O-N 3.08Å; A266-E269 PolarHBondContact O-N 3.43Å; A266-L270 WeakPolarHBondContact O-CB 3.04Å; A266-L270 PolarHBondContact O-N 3.16Å |
| 267 | T | 90.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66 | -40.3 | 173.5 | -50.3 | 0 | 0 | 0 | 0 | 110.7 | H201 I204 I257 T262 R263 G264 G265 L270 I271 | H201-T267 PolarHBondContact NE2-OG1 3.2Å; I204-T267 HydrophobicContact CD1-CG2 3.54Å; I257-T267 HydrophobicContact CD1-CG2 4.18Å; I257-T267 HydrophobicContact CG1-CG2 4.3Å; T262-T267 VanDerWaalsContact C-OG1 3.25Å; T262-T267 PolarHBondContact O-OG1 2.9Å; T262-T267 PolarHBondContact OG1-OG1 3.5Å; R263-T267 WeakPolarHBondContact CA-OG1 3.4Å; R263-T267 PolarHBondContact N-OG1 3.39Å; R263-T267 PolarHBondContact O-N 3.24Å; G264-T267 PolarHBondContact N-OG1 3.27Å; G264-T267 WeakPolarHBondContact O-CA 3.39Å; G264-T267 VanDerWaalsContact O-CB 3.26Å; G264-T267 WeakPolarHBondContact O-CB 3.25Å; G264-T267 PolarHBondContact O-N 3.03Å; G265-T267 VanDerWaalsContact C-N 3.3Å; G265-T267 PolarHBondContact O-N 2.75Å; T267-L270 WeakPolarHBondContact O-CB 2.87Å; T267-L270 PolarHBondContact O-N 3.46Å; T267-I271 HydrophobicContact CG2-CD1 4.1Å; T267-I271 VanDerWaalsContact O-CG1 3.29Å; T267-I271 WeakPolarHBondContact O-CG1 3.44Å; T267-I271 PolarHBondContact O-N 3.03Å |
| 268 | L | 90.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 174.9 | -68.4 | 177.9 | 0 | 0 | 0 | 112.3 | I54 V200 G264 G265 L270 I271 E272 A295 Y299 | I54-L268 HydrophobicContact CG2-CD1 4.42Å; V200-L268 HydrophobicContact CG1-CD2 4.5Å; G264-L268 PolarHBondContact O-N 3.49Å; G264-L268 VanDerWaalsContact O-N 3.14Å; G265-L268 WeakPolarHBondContact O-CB 3.26Å; G265-L268 PolarHBondContact O-N 3.21Å; L268-L270 VanDerWaalsContact C-N 3.31Å; L268-L270 PolarHBondContact O-N 3.36Å; L268-I271 PolarHBondContact O-N 3.38Å; L268-E272 WeakPolarHBondContact O-CB 3.42Å; L268-E272 PolarHBondContact O-N 2.85Å; L268-A295 HydrophobicContact CD2-CB 3.49Å; L268-A295 VanDerWaalsContact CD2-CB 3.49Å; L268-Y299 HydrophobicContact CD1-CD1 4.06Å; L268-Y299 HydrophobicContact CD1-CD2 4.16Å; L268-Y299 HydrophobicContact CD1-CG 3.66Å |
| 269 | E | 87.6 | Confident | 88.7 | Confident | 68 Ų | 68 | 54.2 Ų | 54.2 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 174.6 | -171.7 | -176.7 | 169.3 | 0 | 0 | 111.5 | G265 A266 E272 K273 | G265-E269 PolarHBondContact O-N 2.97Å; A266-E269 PolarHBondContact O-N 3.43Å; E269-E272 PolarHBondContact O-N 3.24Å; E269-K273 HydrophobicContact CG-CD 4.43Å; E269-K273 WeakPolarHBondContact O-CG 3.31Å; E269-K273 PolarHBondContact O-N 2.83Å; E269-K273 WeakPolarHBondContact OE1-CE 3.21Å; E269-K273 IonicContact OE1-NZ 3.24Å; E269-K273 PolarHBondContact OE1-NZ 3.45Å |
| 270 | L | 90.6 | Very high | 88.6 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 175.1 | -176.8 | 156.5 | 0 | 0 | 0 | 111.1 | L253 I257 Q260 T262 A266 T267 L268 E272 K273 F274 | L253-L270 HydrophobicContact CD1-CD2 3.51Å; I257-L270 HydrophobicContact CG1-CD1 4.47Å; I257-L270 HydrophobicContact CG1-CD2 3.97Å; Q260-L270 HydrophobicContact CB-CD1 4.14Å; Q260-L270 HydrophobicContact CG-CD1 4.28Å; T262-L270 HydrophobicContact CG2-CB 4.35Å; T262-L270 HydrophobicContact CG2-CD1 3.73Å; A266-L270 WeakPolarHBondContact O-CB 3.04Å; A266-L270 PolarHBondContact O-N 3.16Å; T267-L270 WeakPolarHBondContact O-CB 2.87Å; T267-L270 PolarHBondContact O-N 3.46Å; L268-L270 VanDerWaalsContact C-N 3.31Å; L268-L270 PolarHBondContact O-N 3.36Å; L270-E272 VanDerWaalsContact C-N 3.31Å; L270-E272 PolarHBondContact O-N 3.46Å; L270-K273 PolarHBondContact O-N 3.22Å; L270-F274 VanDerWaalsContact O-CB 3.24Å; L270-F274 WeakPolarHBondContact O-CB 3.5Å; L270-F274 PolarHBondContact O-N 3.49Å |
| 271 | I | 92 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 177.1 | -67.1 | 163.4 | 0 | 0 | 0 | 110.3 | I204 L253 T267 L268 F274 A275 I288 V291 Q292 A295 | I204-I271 HydrophobicContact CD1-CD1 3.71Å; I204-I271 HydrophobicContact CG1-CD1 4.22Å; L253-I271 HydrophobicContact CD1-CG1 4.01Å; L253-I271 HydrophobicContact CD2-CG1 4.38Å; T267-I271 HydrophobicContact CG2-CD1 4.1Å; T267-I271 VanDerWaalsContact O-CG1 3.29Å; T267-I271 WeakPolarHBondContact O-CG1 3.44Å; T267-I271 PolarHBondContact O-N 3.03Å; L268-I271 PolarHBondContact O-N 3.38Å; I271-F274 CarbonylContact O-C 3.59Å; I271-F274 WeakPolarHBondContact O-CB 3.44Å; I271-F274 PolarHBondContact O-N 3.06Å; I271-A275 VanDerWaalsContact O-CB 3.32Å; I271-A275 WeakPolarHBondContact O-CB 3.37Å; I271-A275 PolarHBondContact O-N 3.39Å; I271-I288 HydrophobicContact CG2-CG2 4.24Å; I271-V291 HydrophobicContact CD1-CG1 4.49Å; I271-Q292 HydrophobicContact CG2-CB 3.68Å; I271-Q292 HydrophobicContact CG2-CG 3.77Å; I271-A295 HydrophobicContact CD1-CB 4.04Å |
| 272 | E | 90.4 | Very high | 88.8 | Confident | 26 Ų | 26 | 44.9 Ų | 44.9 | 12% | 0.121 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.6 | -48.1 | 177.2 | 178.2 | 67.8 | -178.1 | 0 | 0 | 111.8 | T51 V55 L268 E269 L270 F274 A275 N276 Q292 | T51-E272 WeakPolarHBondContact CB-OE2 3.13Å; T51-E272 PolarHBondContact OG1-OE2 3.17Å; V55-E272 HydrophobicContact CG2-CB 4.41Å; V55-E272 HydrophobicContact CG2-CG 4.19Å; L268-E272 WeakPolarHBondContact O-CB 3.42Å; L268-E272 PolarHBondContact O-N 2.85Å; E269-E272 PolarHBondContact O-N 3.24Å; L270-E272 VanDerWaalsContact C-N 3.31Å; L270-E272 PolarHBondContact O-N 3.46Å; E272-F274 PolarHBondContact O-N 3.41Å; E272-A275 PolarHBondContact O-N 3.25Å; E272-N276 PolarHBondContact O-N 2.8Å; E272-N276 PolarHBondContact O-ND2 3.42Å; E272-Q292 PolarHBondContact OE2-NE2 2.89Å |
| 273 | K | 90.2 | Very high | 88.8 | Confident | 120 Ų | 120 | 48.4 Ų | 48.4 | 52% | 0.522 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59 | -38.5 | 175 | -74.8 | 174.3 | -175.8 | 164.3 | 0 | 111.3 | E269 L270 | E269-K273 HydrophobicContact CG-CD 4.43Å; E269-K273 WeakPolarHBondContact O-CG 3.31Å; E269-K273 PolarHBondContact O-N 2.83Å; E269-K273 WeakPolarHBondContact OE1-CE 3.21Å; E269-K273 IonicContact OE1-NZ 3.24Å; E269-K273 PolarHBondContact OE1-NZ 3.45Å; L270-K273 PolarHBondContact O-N 3.22Å |
| 274 | F | 90.6 | Very high | 89 | Confident | 27 Ų | 27 | 42.2 Ų | 42.2 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.3 | -42.4 | 177.9 | -168.8 | -96.1 | 0 | 0 | 0 | 111.9 | C249 R252 L253 L270 I271 E272 N276 A277 Y278 I288 | C249-F274 VanDerWaalsContact O-CZ 3.28Å; C249-F274 WeakPolarHBondContact O-CZ 3.44Å; C249-F274 VanDerWaalsContact SG-CE1 3.54Å; R252-F274 HydrophobicContact CB-CE2 3.92Å; R252-F274 HydrophobicContact CB-CZ 3.82Å; L253-F274 HydrophobicContact CB-CD1 4.27Å; L253-F274 HydrophobicContact CB-CE1 3.9Å; L253-F274 HydrophobicContact CB-CZ 4.07Å; L253-F274 HydrophobicContact CD1-CB 4.36Å; L253-F274 HydrophobicContact CD1-CD1 4.15Å; L253-F274 HydrophobicContact CD1-CG 4.14Å; L270-F274 VanDerWaalsContact O-CB 3.24Å; L270-F274 WeakPolarHBondContact O-CB 3.5Å; L270-F274 PolarHBondContact O-N 3.49Å; I271-F274 CarbonylContact O-C 3.59Å; I271-F274 WeakPolarHBondContact O-CB 3.44Å; I271-F274 PolarHBondContact O-N 3.06Å; E272-F274 PolarHBondContact O-N 3.41Å; F274-N276 VanDerWaalsContact C-N 3.28Å; F274-N276 PolarHBondContact O-N 2.9Å; F274-A277 WeakPolarHBondContact O-CB 3.33Å; F274-A277 PolarHBondContact O-N 2.98Å; F274-A277 VanDerWaalsContact O-N 3.12Å; F274-Y278 HydrophobicContact CD1-CD2 4.46Å; F274-Y278 HydrophobicContact CD1-CE2 4.01Å; F274-Y278 HydrophobicContact CE1-CD2 4.31Å; F274-Y278 AromaticContact CE1-CE2 3.53Å; F274-Y278 HydrophobicContact CE1-CE2 3.53Å; F274-Y278 HydrophobicContact CE2-CE2 4.34Å; F274-Y278 AromaticContact CZ-CE2 3.71Å; F274-Y278 HydrophobicContact CZ-CE2 3.71Å; F274-Y278 WeakPolarHBondContact O-CD2 3.4Å; F274-I288 HydrophobicContact CD1-CD1 4.02Å; F274-I288 HydrophobicContact CE1-CD1 4.06Å |
| 275 | A | 90.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -38.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I271 E272 A277 Y278 V279 M285 I288 | I271-A275 VanDerWaalsContact O-CB 3.32Å; I271-A275 WeakPolarHBondContact O-CB 3.37Å; I271-A275 PolarHBondContact O-N 3.39Å; E272-A275 PolarHBondContact O-N 3.25Å; A275-A277 PolarHBondContact O-N 2.89Å; A275-A277 VanDerWaalsContact O-N 3.14Å; A275-Y278 PolarHBondContact O-N 3.27Å; A275-V279 PolarHBondContact O-N 3.3Å; A275-M285 HydrophobicContact CB-CE 4.1Å; A275-I288 HydrophobicContact CB-CG2 3.58Å |
| 276 | N | 90.6 | Very high | 89.4 | Confident | 87 Ų | 87 | 47.3 Ų | 47.3 | 47% | 0.465 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.4 | -27.6 | 176.5 | -78 | -54.7 | 0 | 0 | 0 | 113.5 | E272 F274 Y278 | E272-N276 PolarHBondContact O-N 2.8Å; E272-N276 PolarHBondContact O-ND2 3.42Å; F274-N276 VanDerWaalsContact C-N 3.28Å; F274-N276 PolarHBondContact O-N 2.9Å; N276-Y278 VanDerWaalsContact C-N 3.27Å; N276-Y278 PolarHBondContact O-N 3.31Å |
| 277 | A | 90.5 | Very high | 89.6 | Confident | 82 Ų | 82 | 46.8 Ų | 46.8 | 68% | 0.678 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -13.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | F274 A275 | F274-A277 WeakPolarHBondContact O-CB 3.33Å; F274-A277 PolarHBondContact O-N 2.98Å; F274-A277 VanDerWaalsContact O-N 3.12Å; A275-A277 PolarHBondContact O-N 2.89Å; A275-A277 VanDerWaalsContact O-N 3.14Å |
| 278 | Y | 89.7 | Confident | 89.7 | Confident | 26 Ų | 26 | 46.8 Ų | 46.8 | 10% | 0.102 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 15.5 | -178.5 | -61.2 | -91.1 | 0 | 0 | 0 | 113 | C249 R252 F274 A275 N276 G280 D281 V284 I288 | C249-Y278 HydrophobicContact CB-CE1 4.38Å; R252-Y278 PolarHBondContact NE-OH 2.94Å; R252-Y278 PolarHBondContact NH1-OH 2.95Å; R252-Y278 PolarHBondContact NH2-OH 3.16Å; F274-Y278 HydrophobicContact CD1-CD2 4.46Å; F274-Y278 HydrophobicContact CD1-CE2 4.01Å; F274-Y278 HydrophobicContact CE1-CD2 4.31Å; F274-Y278 AromaticContact CE1-CE2 3.53Å; F274-Y278 HydrophobicContact CE1-CE2 3.53Å; F274-Y278 HydrophobicContact CE2-CE2 4.34Å; F274-Y278 AromaticContact CZ-CE2 3.71Å; F274-Y278 HydrophobicContact CZ-CE2 3.71Å; F274-Y278 WeakPolarHBondContact O-CD2 3.4Å; A275-Y278 PolarHBondContact O-N 3.27Å; N276-Y278 VanDerWaalsContact C-N 3.27Å; N276-Y278 PolarHBondContact O-N 3.31Å; Y278-G280 PolarHBondContact O-N 2.93Å; Y278-G280 VanDerWaalsContact O-N 3.17Å; Y278-D281 WeakPolarHBondContact O-CB 3.05Å; Y278-D281 PolarHBondContact O-N 3.44Å; Y278-V284 HydrophobicContact CD1-CB 4.01Å; Y278-V284 HydrophobicContact CD1-CG1 3.55Å; Y278-V284 HydrophobicContact CD1-CG2 4.34Å; Y278-V284 HydrophobicContact CD2-CG1 4.36Å; Y278-V284 HydrophobicContact CE1-CG1 3.95Å; Y278-V284 HydrophobicContact CG-CB 4.45Å; Y278-V284 HydrophobicContact CG-CG1 3.75Å; Y278-I288 HydrophobicContact CD2-CD1 3.4Å; Y278-I288 VanDerWaalsContact CD2-CD1 3.4Å; Y278-I288 HydrophobicContact CE2-CD1 3.96Å; Y278-I288 HydrophobicContact CG-CD1 3.82Å |
| 279 | V | 88.6 | Confident | 89.7 | Confident | 94 Ų | 94 | 48.7 Ų | 48.7 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 123.3 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 109.3 | A275 | A275-V279 PolarHBondContact O-N 3.3Š|
| 280 | G | 87.9 | Confident | 89.8 | Confident | 76 Ų | 76 | 48.1 Ų | 48.1 | 78% | 0.784 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.6 | -10.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y278 A282 | Y278-G280 PolarHBondContact O-N 2.93Å; Y278-G280 VanDerWaalsContact O-N 3.17Å; G280-A282 PolarHBondContact O-N 3.12Å |
| 281 | D | 88.8 | Confident | 89.9 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 25% | 0.251 | 29% | 0.293 | S | S | . | . | trans | -75.2 | 111.3 | 172.4 | -169.6 | -43.4 | 0 | 0 | 0 | 110.3 | Y278 I283 V284 M285 | Y278-D281 WeakPolarHBondContact O-CB 3.05Å; Y278-D281 PolarHBondContact O-N 3.44Å; D281-I283 PolarHBondContact O-N 2.92Å; D281-I283 WeakPolarHBondContact OD1-CA 3.48Å; D281-I283 PolarHBondContact OD1-N 2.8Å; D281-V284 HydrophobicContact CB-CB 4.2Å; D281-V284 PolarHBondContact OD1-N 2.98Å; D281-M285 WeakPolarHBondContact O-CB 3.5Å; D281-M285 PolarHBondContact O-N 2.88Å; D281-M285 VanDerWaalsContact O-N 3.1Å | ||
| 282 | A | 88.5 | Confident | 89.8 | Confident | 90 Ų | 90 | 47.9 Ų | 47.9 | 74% | 0.744 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | G280 P286 | G280-A282 PolarHBondContact O-N 3.12Å; A282-P286 WeakPolarHBondContact O-CG 3.34Å |
| 283 | I | 86.6 | Confident | 89.8 | Confident | 88 Ų | 88 | 49.9 Ų | 49.9 | 45% | 0.451 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -47.9 | -177.3 | -59.3 | 174.2 | 0 | 0 | 0 | 109.9 | V246 D281 | V246-I283 HydrophobicContact CG2-CG2 3.79Å; D281-I283 PolarHBondContact O-N 2.92Å; D281-I283 WeakPolarHBondContact OD1-CA 3.48Å; D281-I283 PolarHBondContact OD1-N 2.8Å |
| 284 | V | 89.9 | Confident | 89.8 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -82.5 | -38.5 | -172.4 | 176.3 | 0 | 0 | 0 | 0 | 112 | K245 C249 Y278 D281 I287 I288 | K245-V284 HydrophobicContact CB-CG2 4.48Å; C249-V284 HydrophobicContact CB-CG1 3.89Å; C249-V284 WeakPolarHBondContact SG-CG1 3.3Å; Y278-V284 HydrophobicContact CD1-CB 4.01Å; Y278-V284 HydrophobicContact CD1-CG1 3.55Å; Y278-V284 HydrophobicContact CD1-CG2 4.34Å; Y278-V284 HydrophobicContact CD2-CG1 4.36Å; Y278-V284 HydrophobicContact CE1-CG1 3.95Å; Y278-V284 HydrophobicContact CG-CB 4.45Å; Y278-V284 HydrophobicContact CG-CG1 3.75Å; D281-V284 HydrophobicContact CB-CB 4.2Å; D281-V284 PolarHBondContact OD1-N 2.98Å; V284-I287 WeakPolarHBondContact O-CB 3.37Å; V284-I287 PolarHBondContact O-N 3.46Å; V284-I287 VanDerWaalsContact O-N 3.1Å; V284-I288 HydrophobicContact CG1-CD1 3.51Å; V284-I288 HydrophobicContact CG1-CG1 3.83Å; V284-I288 PolarHBondContact O-N 2.94Å |
| 285 | M | 90.2 | Very high | 89.8 | Confident | 33 Ų | 33 | 45.5 Ų | 45.5 | 16% | 0.163 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | -174.3 | -166.9 | 68.6 | -156.4 | 0 | 0 | 113.6 | A275 D281 I287 I288 T289 | A275-M285 HydrophobicContact CB-CE 4.1Å; D281-M285 WeakPolarHBondContact O-CB 3.5Å; D281-M285 PolarHBondContact O-N 2.88Å; D281-M285 VanDerWaalsContact O-N 3.1Å; M285-I287 PolarHBondContact O-N 3.29Å; M285-I288 PolarHBondContact O-N 2.77Å; M285-T289 WeakPolarHBondContact CE-OG1 3.17Å; M285-T289 VanDerWaalsContact O-CB 3.26Å; M285-T289 WeakPolarHBondContact O-CB 3.25Å; M285-T289 PolarHBondContact O-N 2.95Å; M285-T289 PolarHBondContact O-OG1 3.18Å |
| 286 | P | 88.7 | Confident | 89.7 | Confident | 75 Ų | 75 | 45.4 Ų | 45.4 | 49% | 0.487 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59 | -34.6 | 176.1 | -24.8 | 35.3 | 0 | 0 | 0 | 112.9 | A282 H290 | A282-P286 WeakPolarHBondContact O-CG 3.34Å; P286-H290 WeakPolarHBondContact O-CB 3.34Å; P286-H290 PolarHBondContact O-N 3.45Å |
| 287 | I | 89 | Confident | 89.5 | Confident | 28 Ų | 28 | 43.2 Ų | 43.2 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.7 | -49.1 | -178.8 | -66.3 | 175.6 | 0 | 0 | 0 | 110.8 | F211 V246 L250 V284 M285 T289 H290 V291 | F211-I287 HydrophobicContact CE1-CB 4.39Å; F211-I287 HydrophobicContact CE1-CD1 4.08Å; F211-I287 HydrophobicContact CE1-CG1 3.86Å; F211-I287 HydrophobicContact CE1-CG2 3.89Å; F211-I287 HydrophobicContact CE2-CG2 3.84Å; F211-I287 HydrophobicContact CZ-CB 4.07Å; F211-I287 HydrophobicContact CZ-CG1 3.98Å; F211-I287 HydrophobicContact CZ-CG2 3.46Å; F211-I287 VanDerWaalsContact CZ-CG2 3.46Å; V246-I287 HydrophobicContact CB-CD1 4.12Å; V246-I287 HydrophobicContact CG1-CD1 3.39Å; V246-I287 HydrophobicContact CG1-CG2 4.28Å; V246-I287 HydrophobicContact CG2-CD1 3.57Å; L250-I287 HydrophobicContact CD1-CG2 4.42Å; L250-I287 HydrophobicContact CD2-CG2 3.95Å; L250-I287 HydrophobicContact CG-CG2 4.45Å; V284-I287 WeakPolarHBondContact O-CB 3.37Å; V284-I287 PolarHBondContact O-N 3.46Å; V284-I287 VanDerWaalsContact O-N 3.1Å; M285-I287 PolarHBondContact O-N 3.29Å; I287-T289 VanDerWaalsContact C-N 3.29Å; I287-T289 PolarHBondContact O-N 3.33Å; I287-H290 WeakPolarHBondContact O-CB 3.5Å; I287-H290 PolarHBondContact O-N 3.44Å; I287-H290 VanDerWaalsContact O-N 3.17Å; I287-V291 WeakPolarHBondContact O-CG2 3.37Å; I287-V291 PolarHBondContact O-N 2.87Å |
| 288 | I | 92 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 175.5 | -61.3 | 175.7 | 0 | 0 | 0 | 110.1 | C249 I271 F274 A275 Y278 V284 M285 H290 V291 Q292 | C249-I288 VanDerWaalsContact SG-CD1 3.59Å; I271-I288 HydrophobicContact CG2-CG2 4.24Å; F274-I288 HydrophobicContact CD1-CD1 4.02Å; F274-I288 HydrophobicContact CE1-CD1 4.06Å; A275-I288 HydrophobicContact CB-CG2 3.58Å; Y278-I288 HydrophobicContact CD2-CD1 3.4Å; Y278-I288 VanDerWaalsContact CD2-CD1 3.4Å; Y278-I288 HydrophobicContact CE2-CD1 3.96Å; Y278-I288 HydrophobicContact CG-CD1 3.82Å; V284-I288 HydrophobicContact CG1-CD1 3.51Å; V284-I288 HydrophobicContact CG1-CG1 3.83Å; V284-I288 PolarHBondContact O-N 2.94Å; M285-I288 PolarHBondContact O-N 2.77Å; I288-H290 VanDerWaalsContact C-N 3.29Å; I288-H290 PolarHBondContact O-N 2.77Å; I288-V291 PolarHBondContact O-N 3.17Å; I288-Q292 VanDerWaalsContact O-CB 3.32Å; I288-Q292 WeakPolarHBondContact O-CB 3.18Å; I288-Q292 PolarHBondContact O-N 3.38Å |
| 289 | T | 90.2 | Very high | 89.2 | Confident | 43 Ų | 43 | 38.6 Ų | 38.6 | 26% | 0.264 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.2 | -40.6 | 176.9 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | M285 I287 Q292 L293 | M285-T289 WeakPolarHBondContact CE-OG1 3.17Å; M285-T289 VanDerWaalsContact O-CB 3.26Å; M285-T289 WeakPolarHBondContact O-CB 3.25Å; M285-T289 PolarHBondContact O-N 2.95Å; M285-T289 PolarHBondContact O-OG1 3.18Å; I287-T289 VanDerWaalsContact C-N 3.29Å; I287-T289 PolarHBondContact O-N 3.33Å; T289-Q292 PolarHBondContact O-N 3.01Å; T289-L293 HydrophobicContact CG2-CD1 4.14Å; T289-L293 HydrophobicContact CG2-CG 4.38Å; T289-L293 WeakPolarHBondContact O-CB 3.43Å; T289-L293 VanDerWaalsContact O-CG 3.27Å; T289-L293 WeakPolarHBondContact O-CG 3.25Å; T289-L293 PolarHBondContact O-N 3.48Å |
| 290 | H | 90.5 | Very high | 89.1 | Confident | 55 Ų | 55 | 34.8 Ų | 34.8 | 26% | 0.255 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.5 | -48.1 | 175.7 | -178.2 | 46.9 | 0 | 0 | 0 | 111.9 | P286 I287 I288 Q292 L293 M294 | P286-H290 WeakPolarHBondContact O-CB 3.34Å; P286-H290 PolarHBondContact O-N 3.45Å; I287-H290 WeakPolarHBondContact O-CB 3.5Å; I287-H290 PolarHBondContact O-N 3.44Å; I287-H290 VanDerWaalsContact O-N 3.17Å; I288-H290 VanDerWaalsContact C-N 3.29Å; I288-H290 PolarHBondContact O-N 2.77Å; H290-Q292 PolarHBondContact O-N 3.28Å; H290-L293 PolarHBondContact O-N 2.78Å; H290-M294 VanDerWaalsContact O-CG 3.32Å; H290-M294 WeakPolarHBondContact O-CG 3.32Å; H290-M294 PolarHBondContact O-N 3.17Å |
| 291 | V | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.1 | -42.1 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | I204 A207 F208 F211 L250 L253 I271 I287 I288 M294 A295 | I204-V291 HydrophobicContact CG1-CG1 4.26Å; I204-V291 HydrophobicContact CG2-CG1 4.13Å; A207-V291 HydrophobicContact CB-CG2 4.12Å; F208-V291 HydrophobicContact CD1-CG2 4.19Å; F208-V291 HydrophobicContact CE1-CG1 3.94Å; F208-V291 HydrophobicContact CE1-CG2 3.73Å; F208-V291 HydrophobicContact CZ-CG1 4.42Å; F211-V291 HydrophobicContact CE2-CG2 4.24Å; L250-V291 HydrophobicContact CD2-CG2 4.36Å; L253-V291 HydrophobicContact CD2-CG1 4.22Å; I271-V291 HydrophobicContact CD1-CG1 4.49Å; I287-V291 WeakPolarHBondContact O-CG2 3.37Å; I287-V291 PolarHBondContact O-N 2.87Å; I288-V291 PolarHBondContact O-N 3.17Å; V291-M294 PolarHBondContact O-N 3.43Å; V291-A295 WeakPolarHBondContact O-CB 3.31Å; V291-A295 PolarHBondContact O-N 3.05Å |
| 292 | Q | 90.7 | Very high | 88.5 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.6 | -38.9 | 179.2 | -167.3 | 167.4 | 0.2 | 0 | 0 | 113.3 | T51 I271 E272 I288 T289 H290 G296 | T51-Q292 HydrophobicContact CG2-CB 4.48Å; T51-Q292 HydrophobicContact CG2-CG 3.74Å; I271-Q292 HydrophobicContact CG2-CB 3.68Å; I271-Q292 HydrophobicContact CG2-CG 3.77Å; E272-Q292 PolarHBondContact OE2-NE2 2.89Å; I288-Q292 VanDerWaalsContact O-CB 3.32Å; I288-Q292 WeakPolarHBondContact O-CB 3.18Å; I288-Q292 PolarHBondContact O-N 3.38Å; T289-Q292 PolarHBondContact O-N 3.01Å; H290-Q292 PolarHBondContact O-N 3.28Å; Q292-G296 WeakPolarHBondContact O-CA 3.26Å; Q292-G296 PolarHBondContact O-N 3.29Å |
| 293 | L | 90.8 | Very high | 88.2 | Confident | 69 Ų | 69 | 32.4 Ų | 32.4 | 36% | 0.361 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.1 | -43.8 | 174.8 | -76.5 | 170.3 | 0 | 0 | 0 | 111.3 | T289 H290 G296 S297 | T289-L293 HydrophobicContact CG2-CD1 4.14Å; T289-L293 HydrophobicContact CG2-CG 4.38Å; T289-L293 WeakPolarHBondContact O-CB 3.43Å; T289-L293 VanDerWaalsContact O-CG 3.27Å; T289-L293 WeakPolarHBondContact O-CG 3.25Å; T289-L293 PolarHBondContact O-N 3.48Å; H290-L293 PolarHBondContact O-N 2.78Å; L293-G296 PolarHBondContact O-N 3.09Å; L293-S297 WeakPolarHBondContact O-CB 3.26Å; L293-S297 PolarHBondContact O-N 2.98Å; L293-S297 PolarHBondContact O-OG 3.28Å |
| 294 | M | 89.9 | Confident | 88 | Confident | 55 Ų | 55 | 30.1 Ų | 30.1 | 27% | 0.271 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.4 | -47 | 177 | -66.3 | -62.5 | -56 | 0 | 0 | 111.7 | E203 A207 H290 V291 G296 S297 A298 | E203-M294 VanDerWaalsContact OE2-CE 3.3Å; E203-M294 WeakPolarHBondContact OE2-CE 3.24Å; A207-M294 HydrophobicContact CB-CG 4.35Å; H290-M294 VanDerWaalsContact O-CG 3.32Å; H290-M294 WeakPolarHBondContact O-CG 3.32Å; H290-M294 PolarHBondContact O-N 3.17Å; V291-M294 PolarHBondContact O-N 3.43Å; M294-G296 VanDerWaalsContact C-N 3.33Å; M294-G296 PolarHBondContact O-N 3.36Å; M294-S297 PolarHBondContact O-N 3.31Å; M294-S297 PolarHBondContact O-OG 2.89Å; M294-A298 PolarHBondContact O-N 3.46Å |
| 295 | A | 90 | Very high | 87.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.8 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V200 I204 L268 I271 V291 Y299 | V200-A295 HydrophobicContact CG1-CB 3.84Å; I204-A295 HydrophobicContact CD1-CB 4.09Å; I204-A295 HydrophobicContact CG1-CB 3.74Å; L268-A295 HydrophobicContact CD2-CB 3.49Å; L268-A295 VanDerWaalsContact CD2-CB 3.49Å; I271-A295 HydrophobicContact CD1-CB 4.04Å; V291-A295 WeakPolarHBondContact O-CB 3.31Å; V291-A295 PolarHBondContact O-N 3.05Å; A295-Y299 PolarHBondContact O-N 3.47Å |
| 296 | G | 87.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.7 | -44.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q292 L293 M294 A298 Y299 F300 | Q292-G296 WeakPolarHBondContact O-CA 3.26Å; Q292-G296 PolarHBondContact O-N 3.29Å; L293-G296 PolarHBondContact O-N 3.09Å; M294-G296 VanDerWaalsContact C-N 3.33Å; M294-G296 PolarHBondContact O-N 3.36Å; G296-A298 PolarHBondContact O-N 3.29Å; G296-Y299 PolarHBondContact O-N 3.48Å; G296-F300 WeakPolarHBondContact O-CB 2.91Å; G296-F300 WeakPolarHBondContact O-CD2 3.47Å; G296-F300 PolarHBondContact O-N 3.18Å |
| 297 | S | 88.3 | Confident | 86.7 | Confident | 40 Ų | 40 | 30.8 Ų | 30.8 | 28% | 0.28 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.5 | -47 | 179.4 | 57.2 | 0 | 0 | 0 | 0 | 111.6 | L293 M294 Y299 F300 E301 | L293-S297 WeakPolarHBondContact O-CB 3.26Å; L293-S297 PolarHBondContact O-N 2.98Å; L293-S297 PolarHBondContact O-OG 3.28Å; M294-S297 PolarHBondContact O-N 3.31Å; M294-S297 PolarHBondContact O-OG 2.89Å; S297-Y299 PolarHBondContact O-N 2.82Å; S297-F300 PolarHBondContact O-N 3.4Å; S297-F300 VanDerWaalsContact O-N 3.17Å; S297-E301 WeakPolarHBondContact O-CB 3.32Å; S297-E301 WeakPolarHBondContact O-CG 3.5Å; S297-E301 PolarHBondContact O-N 3.27Å |
| 298 | A | 87.7 | Confident | 86.2 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.5 | -45.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I199 E203 M294 G296 F300 E301 F302 | I199-A298 HydrophobicContact CG2-CB 3.84Å; E203-A298 HydrophobicContact CB-CB 4.24Å; E203-A298 HydrophobicContact CG-CB 3.24Å; M294-A298 PolarHBondContact O-N 3.46Å; G296-A298 PolarHBondContact O-N 3.29Å; A298-F300 VanDerWaalsContact C-N 3.26Å; A298-F300 PolarHBondContact O-N 2.8Å; A298-E301 PolarHBondContact O-N 2.96Å; A298-F302 WeakPolarHBondContact O-CB 3.23Å; A298-F302 PolarHBondContact O-N 3.46Å; A298-F302 VanDerWaalsContact O-N 3.16Å |
| 299 | Y | 86.3 | Confident | 85.6 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 2% | 0.024 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.3 | -39.8 | 178 | -174.3 | -86.2 | 0 | 0 | 0 | 111.5 | L58 V200 L268 A295 G296 S297 L303 F319 | L58-Y299 HydrophobicContact CD2-CD1 4.33Å; L58-Y299 HydrophobicContact CD2-CE1 3.39Å; V200-Y299 HydrophobicContact CG2-CD2 4.12Å; L268-Y299 HydrophobicContact CD1-CD1 4.06Å; L268-Y299 HydrophobicContact CD1-CD2 4.16Å; L268-Y299 HydrophobicContact CD1-CG 3.66Å; A295-Y299 PolarHBondContact O-N 3.47Å; G296-Y299 PolarHBondContact O-N 3.48Å; S297-Y299 PolarHBondContact O-N 2.82Å; Y299-L303 HydrophobicContact CE1-CB 4.47Å; Y299-L303 HydrophobicContact CE1-CD2 4.09Å; Y299-L303 WeakPolarHBondContact O-CB 3.09Å; Y299-L303 PolarHBondContact O-N 2.93Å; Y299-F319 HydrophobicContact CE1-CE2 4.21Å; Y299-F319 HydrophobicContact CE2-CD2 4.12Å; Y299-F319 HydrophobicContact CE2-CE2 4.47Å; Y299-F319 AromaticContact CZ-CD2 3.81Å; Y299-F319 AromaticContact CZ-CE2 3.72Å; Y299-F319 VanDerWaalsContact OH-CD2 3.31Å; Y299-F319 WeakPolarHBondContact OH-CD2 3.05Å; Y299-F319 WeakPolarHBondContact OH-CE2 2.87Å |
| 300 | F | 85 | Confident | 84.9 | Confident | 14 Ų | 14 | 38 Ų | 38 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -78.1 | -32.8 | -178.8 | -79.2 | -61.5 | 0 | 0 | 0 | 114.9 | L43 I54 F57 G296 S297 A298 F302 L303 N304 | L43-F300 HydrophobicContact CD1-CD2 4.48Å; L43-F300 HydrophobicContact CD1-CE1 4.2Å; L43-F300 HydrophobicContact CD1-CE2 4Å; L43-F300 HydrophobicContact CD1-CZ 3.8Å; L43-F300 HydrophobicContact CD2-CD1 3.21Å; L43-F300 HydrophobicContact CD2-CD2 4.1Å; L43-F300 HydrophobicContact CD2-CE1 3.17Å; L43-F300 HydrophobicContact CD2-CE2 4.12Å; L43-F300 HydrophobicContact CD2-CG 3.69Å; L43-F300 HydrophobicContact CD2-CZ 3.65Å; L43-F300 HydrophobicContact CG-CD1 4.46Å; L43-F300 HydrophobicContact CG-CE1 4.3Å; L43-F300 HydrophobicContact CG-CZ 4.37Å; I54-F300 HydrophobicContact CB-CE2 3.7Å; I54-F300 HydrophobicContact CB-CZ 3.85Å; I54-F300 HydrophobicContact CD1-CD2 4.37Å; I54-F300 HydrophobicContact CD1-CE2 3.69Å; I54-F300 HydrophobicContact CG1-CD2 4.35Å; I54-F300 HydrophobicContact CG1-CE2 3.36Å; I54-F300 HydrophobicContact CG1-CZ 3.91Å; I54-F300 HydrophobicContact CG2-CE2 3.37Å; I54-F300 HydrophobicContact CG2-CZ 3.53Å; F57-F300 AromaticContact CD1-CE1 3.8Å; F57-F300 HydrophobicContact CD1-CE1 3.8Å; F57-F300 HydrophobicContact CD1-CZ 4.43Å; F57-F300 HydrophobicContact CE1-CE1 4.21Å; G296-F300 WeakPolarHBondContact O-CB 2.91Å; G296-F300 WeakPolarHBondContact O-CD2 3.47Å; G296-F300 PolarHBondContact O-N 3.18Å; S297-F300 PolarHBondContact O-N 3.4Å; S297-F300 VanDerWaalsContact O-N 3.17Å; A298-F300 VanDerWaalsContact C-N 3.26Å; A298-F300 PolarHBondContact O-N 2.8Å; F300-F302 VanDerWaalsContact C-N 3.33Å; F300-L303 HydrophobicContact CD1-CD2 3.4Å; F300-L303 HydrophobicContact CD1-CG 4.45Å; F300-L303 HydrophobicContact CE1-CD2 3.47Å; F300-L303 VanDerWaalsContact CE1-CD2 3.47Å; F300-L303 PolarHBondContact O-N 2.7Å; F300-N304 WeakPolarHBondContact O-CB 3.39Å; F300-N304 PolarHBondContact O-N 2.85Å |
| 301 | E | 84.7 | Confident | 84.1 | Confident | 130 Ų | 130 | 40.2 Ų | 40.2 | 61% | 0.607 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -59.4 | -50.2 | 171.3 | -76.9 | 175.5 | -173.3 | 0 | 0 | 109.6 | S297 A298 L303 N304 D305 | S297-E301 WeakPolarHBondContact O-CB 3.32Å; S297-E301 WeakPolarHBondContact O-CG 3.5Å; S297-E301 PolarHBondContact O-N 3.27Å; A298-E301 PolarHBondContact O-N 2.96Å; E301-L303 PolarHBondContact O-N 2.88Å; E301-N304 PolarHBondContact O-N 3.44Å; E301-D305 PolarHBondContact O-N 2.75Å |
| 302 | F | 79.2 | Confident | 83.3 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -46.8 | 176.6 | -178 | -110.8 | 0 | 0 | 0 | 112.7 | I199 A298 F300 N304 D305 W306 L312 D313 D314 | I199-F302 HydrophobicContact CD1-CD2 4.34Å; A298-F302 WeakPolarHBondContact O-CB 3.23Å; A298-F302 PolarHBondContact O-N 3.46Å; A298-F302 VanDerWaalsContact O-N 3.16Å; F300-F302 VanDerWaalsContact C-N 3.33Å; F302-N304 PolarHBondContact O-N 3.32Å; F302-D305 PolarHBondContact O-N 3.49Å; F302-W306 PolarHBondContact O-N 3.31Å; F302-W306 VanDerWaalsContact O-N 3.09Å; F302-L312 HydrophobicContact CE1-CD1 3.7Å; F302-L312 HydrophobicContact CZ-CD1 3.66Å; F302-L312 HydrophobicContact CZ-CG 4.45Å; F302-D313 WeakPolarHBondContact CE2-O 3.42Å; F302-D313 VanDerWaalsContact CZ-C 3.43Å; F302-D313 WeakPolarHBondContact CZ-O 3.35Å; F302-D314 HydrophobicContact CE1-CB 4.12Å; F302-D314 HydrophobicContact CZ-CB 3.85Å |
| 303 | L | 82.3 | Confident | 82.4 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 176.7 | 171.3 | 64.9 | 0 | 0 | 0 | 112.5 | F57 L61 Y299 F300 E301 D305 W306 L307 F319 | F57-L303 HydrophobicContact CD1-CD2 4.1Å; F57-L303 HydrophobicContact CE1-CD2 3.39Å; F57-L303 HydrophobicContact CE1-CG 4.43Å; F57-L303 HydrophobicContact CZ-CD2 4.27Å; L61-L303 HydrophobicContact CD1-CD1 3.84Å; Y299-L303 HydrophobicContact CE1-CB 4.47Å; Y299-L303 HydrophobicContact CE1-CD2 4.09Å; Y299-L303 WeakPolarHBondContact O-CB 3.09Å; Y299-L303 PolarHBondContact O-N 2.93Å; F300-L303 HydrophobicContact CD1-CD2 3.4Å; F300-L303 HydrophobicContact CD1-CG 4.45Å; F300-L303 HydrophobicContact CE1-CD2 3.47Å; F300-L303 VanDerWaalsContact CE1-CD2 3.47Å; F300-L303 PolarHBondContact O-N 2.7Å; E301-L303 PolarHBondContact O-N 2.88Å; L303-D305 VanDerWaalsContact C-N 3.34Å; L303-W306 HydrophobicContact CD1-CE3 3.9Å; L303-W306 HydrophobicContact CD1-CZ3 4.25Å; L303-W306 PolarHBondContact O-N 3.37Å; L303-L307 HydrophobicContact CD1-CD1 4.1Å; L303-L307 HydrophobicContact CD1-CG 4.21Å; L303-L307 HydrophobicContact CG-CD1 3.97Å; L303-L307 HydrophobicContact CG-CG 4.48Å; L303-L307 VanDerWaalsContact O-CG 3.23Å; L303-L307 WeakPolarHBondContact O-CG 3.24Å; L303-L307 PolarHBondContact O-N 2.87Å; L303-F319 HydrophobicContact CB-CE2 4.49Å; L303-F319 HydrophobicContact CD1-CE2 3.63Å; L303-F319 HydrophobicContact CD1-CZ 3.51Å |
| 304 | N | 82.7 | Confident | 81.8 | Confident | 40 Ų | 40 | 43.6 Ų | 43.6 | 21% | 0.214 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66 | -38.9 | 179.5 | 179.8 | 40.5 | 0 | 0 | 0 | 111.1 | Y40 F300 E301 F302 W306 L307 R308 | Y40-N304 PolarHBondContact OH-OD1 3.28Å; F300-N304 WeakPolarHBondContact O-CB 3.39Å; F300-N304 PolarHBondContact O-N 2.85Å; E301-N304 PolarHBondContact O-N 3.44Å; F302-N304 PolarHBondContact O-N 3.32Å; N304-W306 VanDerWaalsContact C-N 3.35Å; N304-L307 PolarHBondContact O-N 3.47Å; N304-R308 VanDerWaalsContact O-CB 3.25Å; N304-R308 WeakPolarHBondContact O-CB 3.19Å; N304-R308 PolarHBondContact O-N 3.12Å |
| 305 | D | 82.2 | Confident | 81.2 | Confident | 76 Ų | 76 | 45.1 Ų | 45.1 | 41% | 0.406 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.4 | -41.5 | 173.9 | -88.1 | -28.4 | 0 | 0 | 0 | 112.3 | E301 F302 L303 R308 T309 | E301-D305 PolarHBondContact O-N 2.75Å; F302-D305 PolarHBondContact O-N 3.49Å; L303-D305 VanDerWaalsContact C-N 3.34Å; D305-R308 PolarHBondContact O-N 2.74Å; D305-R308 IonicContact OD1-CZ 3.63Å; D305-R308 IonicContact OD1-NE 3.52Å; D305-R308 IonicContact OD1-NH2 2.85Å; D305-R308 PolarHBondContact OD1-NH2 3.33Å; D305-T309 WeakPolarHBondContact O-CB 3.39Å; D305-T309 WeakPolarHBondContact O-CG2 3.35Å; D305-T309 PolarHBondContact O-N 2.89Å; D305-T309 PolarHBondContact O-OG1 2.96Å |
| 306 | W | 81 | Confident | 80.7 | Confident | 31 Ų | 31 | 49.9 Ų | 49.9 | 12% | 0.117 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 171.6 | 175.6 | 54.9 | 0 | 0 | 0 | 112.1 | F302 L303 N304 R308 T309 G310 L312 F319 I321 L331 | F302-W306 PolarHBondContact O-N 3.31Å; F302-W306 VanDerWaalsContact O-N 3.09Å; L303-W306 HydrophobicContact CD1-CE3 3.9Å; L303-W306 HydrophobicContact CD1-CZ3 4.25Å; L303-W306 PolarHBondContact O-N 3.37Å; N304-W306 VanDerWaalsContact C-N 3.35Å; W306-R308 VanDerWaalsContact C-N 3.27Å; W306-R308 PolarHBondContact O-N 2.95Å; W306-T309 PolarHBondContact O-N 2.93Å; W306-G310 WeakPolarHBondContact O-CA 3.25Å; W306-G310 PolarHBondContact O-N 3.13Å; W306-L312 HydrophobicContact CB-CD1 4.12Å; W306-L312 HydrophobicContact CD2-CD1 4.27Å; W306-L312 HydrophobicContact CG-CB 4.27Å; W306-L312 HydrophobicContact CG-CD1 3.86Å; W306-F319 AromaticContact CE3-CE1 3.9Å; W306-F319 HydrophobicContact CE3-CE1 3.9Å; W306-F319 AromaticContact CE3-CZ 3.87Å; W306-F319 HydrophobicContact CE3-CZ 3.87Å; W306-F319 HydrophobicContact CH2-CE1 4.11Å; W306-F319 AromaticContact CZ3-CE1 3.63Å; W306-F319 HydrophobicContact CZ3-CE1 3.63Å; W306-F319 AromaticContact CZ3-CZ 3.73Å; W306-F319 HydrophobicContact CZ3-CZ 3.73Å; W306-I321 HydrophobicContact CH2-CD1 4.15Å; W306-L331 HydrophobicContact CZ2-CD1 4.16Å; W306-L331 HydrophobicContact CZ2-CD2 4.45Å |
| 307 | L | 78 | Confident | 80.2 | Confident | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -33.6 | 179.4 | -70.2 | 170.5 | 0 | 0 | 0 | 112.6 | F21 F36 Y40 F57 L303 N304 | F21-L307 HydrophobicContact CD2-CD2 4.12Å; F21-L307 HydrophobicContact CE2-CD2 3.26Å; F21-L307 HydrophobicContact CZ-CD2 3.68Å; F36-L307 HydrophobicContact CZ-CD2 4.36Å; Y40-L307 HydrophobicContact CD2-CD1 3.98Å; Y40-L307 HydrophobicContact CE2-CD1 3.5Å; Y40-L307 VanDerWaalsContact CE2-CD1 3.5Å; F57-L307 HydrophobicContact CZ-CD1 4.4Å; L303-L307 HydrophobicContact CD1-CD1 4.1Å; L303-L307 HydrophobicContact CD1-CG 4.21Å; L303-L307 HydrophobicContact CG-CD1 3.97Å; L303-L307 HydrophobicContact CG-CG 4.48Å; L303-L307 VanDerWaalsContact O-CG 3.23Å; L303-L307 WeakPolarHBondContact O-CG 3.24Å; L303-L307 PolarHBondContact O-N 2.87Å; N304-L307 PolarHBondContact O-N 3.47Å |
| 308 | R | 78.4 | Confident | 79.9 | Confident | 155 Ų | 155 | 50.5 Ų | 50.5 | 59% | 0.585 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -80.5 | -42.5 | -179.6 | -176.5 | -178.3 | 61.5 | 78.2 | 1.4 | 112.6 | N304 D305 W306 | N304-R308 VanDerWaalsContact O-CB 3.25Å; N304-R308 WeakPolarHBondContact O-CB 3.19Å; N304-R308 PolarHBondContact O-N 3.12Å; D305-R308 PolarHBondContact O-N 2.74Å; D305-R308 IonicContact OD1-CZ 3.63Å; D305-R308 IonicContact OD1-NE 3.52Å; D305-R308 IonicContact OD1-NH2 2.85Å; D305-R308 PolarHBondContact OD1-NH2 3.33Å; W306-R308 VanDerWaalsContact C-N 3.27Å; W306-R308 PolarHBondContact O-N 2.95Å |
| 309 | T | 80.9 | Confident | 79.1 | Confident | 43 Ų | 43 | 50.8 Ų | 50.8 | 26% | 0.264 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -102.5 | -15 | -170.7 | 68.1 | 0 | 0 | 0 | 0 | 113.7 | S17 D305 W306 H311 | S17-T309 WeakPolarHBondContact CB-O 3.45Å; S17-T309 VanDerWaalsContact OG-C 3.29Å; S17-T309 PolarHBondContact OG-O 3.02Å; D305-T309 WeakPolarHBondContact O-CB 3.39Å; D305-T309 WeakPolarHBondContact O-CG2 3.35Å; D305-T309 PolarHBondContact O-N 2.89Å; D305-T309 PolarHBondContact O-OG1 2.96Å; W306-T309 PolarHBondContact O-N 2.93Å; T309-H311 PolarHBondContact O-N 2.75Å; T309-H311 VanDerWaalsContact O-N 3.07Å; T309-H311 PolarHBondContact OG1-N 3.5Å |
| 310 | G | 74.1 | Confident | 78 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 27% | 0.268 | 28% | 0.28 | S | S | . | . | trans | 68.7 | -10 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | W306 | W306-G310 WeakPolarHBondContact O-CA 3.25Å; W306-G310 PolarHBondContact O-N 3.13Å | ||
| 311 | H | 75 | Confident | 76.5 | Confident | 101 Ų | 101 | 54.8 Ų | 54.8 | 47% | 0.468 | 28% | 0.284 | S | S | . | . | trans | -87.6 | 122.8 | -180 | -176.4 | 69 | 0 | 0 | 0 | 109.7 | T309 | T309-H311 PolarHBondContact O-N 2.75Å; T309-H311 VanDerWaalsContact O-N 3.07Å; T309-H311 PolarHBondContact OG1-N 3.5Å | ||
| 312 | L | 74.6 | Confident | 75 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | trans | -104.1 | 103.5 | 177 | -175.5 | 70.2 | 0 | 0 | 0 | 109.1 | F302 W306 D314 F319 L323 L331 | F302-L312 HydrophobicContact CE1-CD1 3.7Å; F302-L312 HydrophobicContact CZ-CD1 3.66Å; F302-L312 HydrophobicContact CZ-CG 4.45Å; W306-L312 HydrophobicContact CB-CD1 4.12Å; W306-L312 HydrophobicContact CD2-CD1 4.27Å; W306-L312 HydrophobicContact CG-CB 4.27Å; W306-L312 HydrophobicContact CG-CD1 3.86Å; L312-D314 HydrophobicContact CD1-CB 4.43Å; L312-D314 HydrophobicContact CG-CB 4.18Å; L312-F319 HydrophobicContact CD1-CD1 4.21Å; L312-F319 HydrophobicContact CD1-CG 4.38Å; L312-F319 HydrophobicContact CD2-CD1 4.36Å; L312-L323 HydrophobicContact CD2-CD1 3.98Å; L312-L331 HydrophobicContact CD2-CD1 4.18Å | ||
| 313 | D | 71.6 | Confident | 73.6 | Confident | 99 Ų | 99 | 56.6 Ų | 56.6 | 53% | 0.529 | 30% | 0.299 | S | S | . | . | trans | -100.4 | 78.5 | 172.7 | -173.2 | 17.5 | 0 | 0 | 0 | 110.2 | F302 P315 | F302-D313 WeakPolarHBondContact CE2-O 3.42Å; F302-D313 VanDerWaalsContact CZ-C 3.43Å; F302-D313 WeakPolarHBondContact CZ-O 3.35Å; D313-P315 WeakPolarHBondContact O-CD 3.37Å | ||
| 314 | D | 79.3 | Confident | 72.1 | Confident | 32 Ų | 32 | 58.9 Ų | 58.9 | 17% | 0.171 | 32% | 0.323 | C | S | . | . | trans | -103.5 | 74.8 | -178.8 | -175.6 | 13.6 | 0 | 0 | 0 | 111.2 | F302 L312 Y316 G317 E318 F319 | F302-D314 HydrophobicContact CE1-CB 4.12Å; F302-D314 HydrophobicContact CZ-CB 3.85Å; L312-D314 HydrophobicContact CD1-CB 4.43Å; L312-D314 HydrophobicContact CG-CB 4.18Å; D314-Y316 PolarHBondContact O-N 3.48Å; D314-G317 PolarHBondContact O-N 2.97Å; D314-G317 WeakPolarHBondContact OD1-CA 3.43Å; D314-G317 PolarHBondContact OD1-N 2.98Å; D314-G317 VanDerWaalsContact OD2-CA 3.31Å; D314-G317 WeakPolarHBondContact OD2-CA 3.49Å; D314-E318 PolarHBondContact OD1-N 2.94Å; D314-E318 PolarHBondContact OD2-N 3.24Å; D314-E318 VanDerWaalsContact OD2-N 3.12Å; D314-F319 VanDerWaalsContact OD2-CB 3.26Å; D314-F319 WeakPolarHBondContact OD2-CB 3.3Å; D314-F319 PolarHBondContact OD2-N 3.33Å | ||
| 315 | P | 75.3 | Confident | 70.7 | Confident | 87 Ų | 87 | 64 Ų | 64 | 57% | 0.565 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -23.1 | -175.8 | 27 | -35.2 | 0 | 0 | 0 | 112.9 | D313 | D313-P315 WeakPolarHBondContact O-CD 3.37Š|
| 316 | Y | 80.8 | Confident | 69.2 | Low | 99 Ų | 99 | 62.7 Ų | 62.7 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -3.7 | -175.7 | -59.8 | -70.9 | 0 | 0 | 0 | 113.7 | T196 I199 D314 | T196-Y316 VanDerWaalsContact O-CE1 3.32Å; T196-Y316 WeakPolarHBondContact O-CE1 3.39Å; I199-Y316 HydrophobicContact CG1-CD2 4.11Å; I199-Y316 HydrophobicContact CG1-CE2 4.24Å; D314-Y316 PolarHBondContact O-N 3.48Å |
| 317 | G | 77.2 | Confident | 67.9 | Low | 45 Ų | 45 | 63.2 Ų | 63.2 | 46% | 0.464 | 36% | 0.356 | S | S | . | . | trans | 65.1 | 39.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D314 | D314-G317 PolarHBondContact O-N 2.97Å; D314-G317 WeakPolarHBondContact OD1-CA 3.43Å; D314-G317 PolarHBondContact OD1-N 2.98Å; D314-G317 VanDerWaalsContact OD2-CA 3.31Å; D314-G317 WeakPolarHBondContact OD2-CA 3.49Å | ||
| 318 | E | 81.1 | Confident | 66.7 | Low | 8 Ų | 8 | 63.6 Ų | 63.6 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | trans | -82.9 | -18.5 | -179.7 | -73.5 | -169 | 120.8 | 0 | 0 | 112.9 | G198 I199 V200 G264 G265 D314 | G198-E318 WeakPolarHBondContact CA-OE1 3.41Å; I199-E318 WeakPolarHBondContact CA-OE2 3.46Å; I199-E318 VanDerWaalsContact CB-OE2 3.24Å; I199-E318 WeakPolarHBondContact CB-OE2 3.17Å; I199-E318 PolarHBondContact N-OE1 3.21Å; I199-E318 VanDerWaalsContact N-OE1 3.16Å; I199-E318 PolarHBondContact N-OE2 2.6Å; V200-E318 VanDerWaalsContact CB-OE1 3.25Å; V200-E318 WeakPolarHBondContact CB-OE1 3.5Å; V200-E318 PolarHBondContact N-OE1 3.07Å; V200-E318 PolarHBondContact N-OE2 2.84Å; G264-E318 WeakPolarHBondContact CA-O 3.47Å; G265-E318 PolarHBondContact N-O 3.4Å; D314-E318 PolarHBondContact OD1-N 2.94Å; D314-E318 PolarHBondContact OD2-N 3.24Å; D314-E318 VanDerWaalsContact OD2-N 3.12Å | ||
| 319 | F | 71.8 | Confident | 65.7 | Low | 12 Ų | 12 | 57.4 Ų | 57.4 | 5% | 0.053 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -84.4 | 138.1 | -180 | -147.6 | -122.2 | 0 | 0 | 0 | 111.6 | L61 Y299 L303 W306 L312 D314 I321 | L61-F319 HydrophobicContact CD2-CZ 4.28Å; Y299-F319 HydrophobicContact CE1-CE2 4.21Å; Y299-F319 HydrophobicContact CE2-CD2 4.12Å; Y299-F319 HydrophobicContact CE2-CE2 4.47Å; Y299-F319 AromaticContact CZ-CD2 3.81Å; Y299-F319 AromaticContact CZ-CE2 3.72Å; Y299-F319 VanDerWaalsContact OH-CD2 3.31Å; Y299-F319 WeakPolarHBondContact OH-CD2 3.05Å; Y299-F319 WeakPolarHBondContact OH-CE2 2.87Å; L303-F319 HydrophobicContact CB-CE2 4.49Å; L303-F319 HydrophobicContact CD1-CE2 3.63Å; L303-F319 HydrophobicContact CD1-CZ 3.51Å; W306-F319 AromaticContact CE3-CE1 3.9Å; W306-F319 HydrophobicContact CE3-CE1 3.9Å; W306-F319 AromaticContact CE3-CZ 3.87Å; W306-F319 HydrophobicContact CE3-CZ 3.87Å; W306-F319 HydrophobicContact CH2-CE1 4.11Å; W306-F319 AromaticContact CZ3-CE1 3.63Å; W306-F319 HydrophobicContact CZ3-CE1 3.63Å; W306-F319 AromaticContact CZ3-CZ 3.73Å; W306-F319 HydrophobicContact CZ3-CZ 3.73Å; L312-F319 HydrophobicContact CD1-CD1 4.21Å; L312-F319 HydrophobicContact CD1-CG 4.38Å; L312-F319 HydrophobicContact CD2-CD1 4.36Å; D314-F319 VanDerWaalsContact OD2-CB 3.26Å; D314-F319 WeakPolarHBondContact OD2-CB 3.3Å; D314-F319 PolarHBondContact OD2-N 3.33Å; F319-I321 HydrophobicContact CD1-CB 4.06Å; F319-I321 HydrophobicContact CD1-CD1 3.47Å; F319-I321 VanDerWaalsContact CD1-CD1 3.47Å; F319-I321 HydrophobicContact CD1-CG1 3.48Å; F319-I321 VanDerWaalsContact CD1-CG1 3.48Å; F319-I321 HydrophobicContact CE1-CD1 3.25Å; F319-I321 HydrophobicContact CE1-CG1 3.68Å; F319-I321 HydrophobicContact CZ-CD1 4.46Å; F319-I321 PolarHBondContact O-N 2.79Å |
| 320 | M | 62.1 | Low | 64.6 | Low | 76 Ų | 76 | 56.4 Ų | 56.4 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -72 | 30.2 | -176 | -61.5 | -179.1 | 71.4 | 0 | 0 | 113.6 | L62 | L62-M320 HydrophobicContact CD1-CE 3.67Å; L62-M320 HydrophobicContact CD1-SD 4.32Å; L62-M320 HydrophobicContact CD2-CB 4.3Å; L62-M320 HydrophobicContact CD2-CE 4.19Å; L62-M320 HydrophobicContact CG-CE 4.43Å |
| 321 | I | 55.4 | Low | 63.6 | Low | 27 Ų | 27 | 56.8 Ų | 56.8 | 14% | 0.138 | 33% | 0.331 | C | S | . | . | trans | -119.6 | 94.9 | -178 | -57.6 | -171.2 | 0 | 0 | 0 | 107 | K65 W306 F319 L323 | K65-I321 HydrophobicContact CD-CD1 4.47Å; K65-I321 HydrophobicContact CD-CG1 4.26Å; K65-I321 HydrophobicContact CD-CG2 4.39Å; W306-I321 HydrophobicContact CH2-CD1 4.15Å; F319-I321 HydrophobicContact CD1-CB 4.06Å; F319-I321 HydrophobicContact CD1-CD1 3.47Å; F319-I321 VanDerWaalsContact CD1-CD1 3.47Å; F319-I321 HydrophobicContact CD1-CG1 3.48Å; F319-I321 VanDerWaalsContact CD1-CG1 3.48Å; F319-I321 HydrophobicContact CE1-CD1 3.25Å; F319-I321 HydrophobicContact CE1-CG1 3.68Å; F319-I321 HydrophobicContact CZ-CD1 4.46Å; F319-I321 PolarHBondContact O-N 2.79Å; I321-L323 HydrophobicContact CB-CG 4.36Å; I321-L323 HydrophobicContact CG2-CB 4.39Å; I321-L323 HydrophobicContact CG2-CD1 4.36Å; I321-L323 HydrophobicContact CG2-CD2 3.25Å; I321-L323 HydrophobicContact CG2-CG 3.39Å; I321-L323 PolarHBondContact O-N 3.24Å | ||
| 322 | N | 52.1 | Low | 62.6 | Low | 156 Ų | 156 | 59.9 Ų | 59.9 | 83% | 0.834 | 34% | 0.339 | S | S | * | . | trans | -58.1 | 97.6 | 148 | -66.4 | -29.4 | 0 | 0 | 0 | 105.2 | K65 G324 | K65-N322 PolarHBondContact NZ-O 3.21Å; N322-G324 PolarHBondContact O-N 3.47Å | ||
| 323 | L | 49.3 | Very low | 62 | Low | 43 Ų | 43 | 62.5 Ų | 62.5 | 23% | 0.225 | 36% | 0.356 | C | S | . | . | trans | -76.7 | 114.5 | 164.7 | -69.7 | 166.5 | 0 | 0 | 0 | 103.8 | L312 I321 E325 A327 L331 | L312-L323 HydrophobicContact CD2-CD1 3.98Å; I321-L323 HydrophobicContact CB-CG 4.36Å; I321-L323 HydrophobicContact CG2-CB 4.39Å; I321-L323 HydrophobicContact CG2-CD1 4.36Å; I321-L323 HydrophobicContact CG2-CD2 3.25Å; I321-L323 HydrophobicContact CG2-CG 3.39Å; I321-L323 PolarHBondContact O-N 3.24Å; L323-E325 PolarHBondContact O-N 2.82Å; L323-A327 HydrophobicContact CB-CB 4.14Å; L323-A327 HydrophobicContact CD2-CB 3.52Å; L323-A327 HydrophobicContact CG-CB 4.47Å; L323-L331 HydrophobicContact CD1-CB 4.38Å; L323-L331 HydrophobicContact CD1-CD1 3.78Å; L323-L331 HydrophobicContact CD1-CG 4.47Å; L323-L331 HydrophobicContact CD2-CD1 3.48Å; L323-L331 VanDerWaalsContact CD2-CD1 3.48Å; L323-L331 HydrophobicContact CD2-CG 4.12Å; L323-L331 HydrophobicContact CG-CD1 4.25Å | ||
| 324 | G | 50.7 | Low | 61.3 | Low | 51 Ų | 51 | 60.1 Ų | 60.1 | 53% | 0.526 | 35% | 0.354 | S | S | . | . | trans | -50 | 145.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | N322 A326 A327 S328 | N322-G324 PolarHBondContact O-N 3.47Å; G324-A326 CarbonylContact O-C 3.57Å; G324-A326 PolarHBondContact O-N 2.84Å; G324-A327 WeakPolarHBondContact O-CA 3.36Å; G324-A327 WeakPolarHBondContact O-CB 3.04Å; G324-A327 PolarHBondContact O-N 3.04Å; G324-S328 PolarHBondContact O-N 3.44Å | ||
| 325 | E | 53.3 | Low | 60.1 | Low | 148 Ų | 148 | 60 Ų | 60 | 69% | 0.692 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -45.5 | -41.3 | -171.9 | -72.4 | -179.6 | 152.5 | 0 | 0 | 112.7 | L323 A327 S328 V329 | L323-E325 PolarHBondContact O-N 2.82Å; E325-A327 PolarHBondContact O-N 3.49Å; E325-S328 WeakPolarHBondContact O-CB 3.19Å; E325-S328 PolarHBondContact O-N 2.69Å; E325-S328 VanDerWaalsContact O-N 3.13Å; E325-V329 WeakPolarHBondContact O-CG2 3.26Å; E325-V329 PolarHBondContact O-N 2.88Å |
| 326 | A | 51.4 | Low | 59.2 | Low | 47 Ų | 47 | 62.1 Ų | 62.1 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -54.9 | -47.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G324 S328 A330 V339 | G324-A326 CarbonylContact O-C 3.57Å; G324-A326 PolarHBondContact O-N 2.84Å; A326-S328 VanDerWaalsContact C-N 3.3Å; A326-S328 PolarHBondContact O-N 3.46Å; A326-A330 WeakPolarHBondContact O-CB 3.43Å; A326-A330 PolarHBondContact O-N 3.37Å; A326-V339 HydrophobicContact CB-CG1 3.6Å; A326-V339 WeakPolarHBondContact O-CG2 3.44Å |
| 327 | A | 53 | Low | 57.9 | Low | 42 Ų | 42 | 64.1 Ų | 64.1 | 35% | 0.347 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70 | -30.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L323 G324 E325 A330 L331 | L323-A327 HydrophobicContact CB-CB 4.14Å; L323-A327 HydrophobicContact CD2-CB 3.52Å; L323-A327 HydrophobicContact CG-CB 4.47Å; G324-A327 WeakPolarHBondContact O-CA 3.36Å; G324-A327 WeakPolarHBondContact O-CB 3.04Å; G324-A327 PolarHBondContact O-N 3.04Å; E325-A327 PolarHBondContact O-N 3.49Å; A327-A330 PolarHBondContact O-N 3.3Å; A327-L331 WeakPolarHBondContact O-CG 3.22Å; A327-L331 PolarHBondContact O-N 2.91Å |
| 328 | S | 52.4 | Low | 56.8 | Low | 26 Ų | 26 | 65.6 Ų | 65.6 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.8 | -47.8 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | G324 E325 A326 L331 R332 | G324-S328 PolarHBondContact O-N 3.44Å; E325-S328 WeakPolarHBondContact O-CB 3.19Å; E325-S328 PolarHBondContact O-N 2.69Å; E325-S328 VanDerWaalsContact O-N 3.13Å; A326-S328 VanDerWaalsContact C-N 3.3Å; A326-S328 PolarHBondContact O-N 3.46Å; S328-L331 PolarHBondContact O-N 3.38Å; S328-R332 WeakPolarHBondContact O-CB 3.41Å; S328-R332 VanDerWaalsContact O-CG 3.3Å; S328-R332 WeakPolarHBondContact O-CG 3.48Å; S328-R332 PolarHBondContact O-N 3.29Å |
| 329 | V | 58.5 | Low | 55.3 | Low | 25 Ų | 25 | 66.2 Ų | 66.2 | 15% | 0.152 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.6 | -50.9 | 173.2 | 175 | 0 | 0 | 0 | 0 | 110.2 | E325 L331 R332 T333 E338 V339 Y342 | E325-V329 WeakPolarHBondContact O-CG2 3.26Å; E325-V329 PolarHBondContact O-N 2.88Å; V329-L331 VanDerWaalsContact C-N 3.34Å; V329-L331 PolarHBondContact O-N 3Å; V329-R332 PolarHBondContact O-N 2.91Å; V329-T333 HydrophobicContact CG1-CG2 4.42Å; V329-T333 PolarHBondContact O-N 3.42Å; V329-T333 PolarHBondContact O-OG1 3.35Å; V329-E338 HydrophobicContact CG1-CB 3.92Å; V329-V339 HydrophobicContact CB-CG2 4.34Å; V329-V339 HydrophobicContact CG1-CG2 4.21Å; V329-Y342 HydrophobicContact CG2-CD2 4.31Å |
| 330 | A | 57.6 | Low | 54.5 | Low | 23 Ų | 23 | 69.1 Ų | 69.1 | 19% | 0.19 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -55.8 | -42.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | A326 A327 G334 M336 V339 | A326-A330 WeakPolarHBondContact O-CB 3.43Å; A326-A330 PolarHBondContact O-N 3.37Å; A327-A330 PolarHBondContact O-N 3.3Å; A330-G334 WeakPolarHBondContact O-CA 2.91Å; A330-G334 PolarHBondContact O-N 2.66Å; A330-M336 HydrophobicContact CB-SD 4.21Å; A330-V339 HydrophobicContact CB-CG2 3.62Å |
| 331 | L | 53.2 | Low | 54.1 | Low | 33 Ų | 33 | 73.7 Ų | 73.7 | 17% | 0.173 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -76.4 | -34.8 | 179.7 | -72.6 | -170 | 0 | 0 | 0 | 113 | W306 L312 L323 A327 S328 V329 | W306-L331 HydrophobicContact CZ2-CD1 4.16Å; W306-L331 HydrophobicContact CZ2-CD2 4.45Å; L312-L331 HydrophobicContact CD2-CD1 4.18Å; L323-L331 HydrophobicContact CD1-CB 4.38Å; L323-L331 HydrophobicContact CD1-CD1 3.78Å; L323-L331 HydrophobicContact CD1-CG 4.47Å; L323-L331 HydrophobicContact CD2-CD1 3.48Å; L323-L331 VanDerWaalsContact CD2-CD1 3.48Å; L323-L331 HydrophobicContact CD2-CG 4.12Å; L323-L331 HydrophobicContact CG-CD1 4.25Å; A327-L331 WeakPolarHBondContact O-CG 3.22Å; A327-L331 PolarHBondContact O-N 2.91Å; S328-L331 PolarHBondContact O-N 3.38Å; V329-L331 VanDerWaalsContact C-N 3.34Å; V329-L331 PolarHBondContact O-N 3Å |
| 332 | R | 54.8 | Low | 53.8 | Low | 166 Ų | 166 | 79.7 Ų | 79.7 | 63% | 0.626 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -70.5 | -42.3 | 177.8 | -75.2 | 179.6 | -179.9 | -169.2 | 0 | 112 | S328 V329 | S328-R332 WeakPolarHBondContact O-CB 3.41Å; S328-R332 VanDerWaalsContact O-CG 3.3Å; S328-R332 WeakPolarHBondContact O-CG 3.48Å; S328-R332 PolarHBondContact O-N 3.29Å; V329-R332 PolarHBondContact O-N 2.91Å |
| 333 | T | 61.4 | Low | 53.8 | Low | 67 Ų | 67 | 75.8 Ų | 75.8 | 41% | 0.411 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -105 | -12.5 | -169.7 | 75.5 | 0 | 0 | 0 | 0 | 113.6 | V329 S335 E338 | V329-T333 HydrophobicContact CG1-CG2 4.42Å; V329-T333 PolarHBondContact O-N 3.42Å; V329-T333 PolarHBondContact O-OG1 3.35Å; T333-S335 PolarHBondContact O-N 3.19Å; T333-S335 VanDerWaalsContact O-N 3.13Å; T333-S335 PolarHBondContact OG1-N 3.13Å; T333-E338 WeakPolarHBondContact CB-OE2 3.45Å; T333-E338 WeakPolarHBondContact CG2-OE2 3.1Å; T333-E338 PolarHBondContact OG1-OE2 2.92Å |
| 334 | G | 56.2 | Low | 54 | Low | 49 Ų | 49 | 78.1 Ų | 78.1 | 51% | 0.505 | 43% | 0.434 | S | S | . | . | trans | 67.4 | 3.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | A330 | A330-G334 WeakPolarHBondContact O-CA 2.91Å; A330-G334 PolarHBondContact O-N 2.66Å | ||
| 335 | S | 55.3 | Low | 53.9 | Low | 30 Ų | 30 | 79.7 Ų | 79.7 | 21% | 0.21 | 44% | 0.442 | C | S | . | . | trans | -113.5 | 112.4 | -171.3 | -175.8 | 0 | 0 | 0 | 0 | 112.2 | T333 E337 E338 | T333-S335 PolarHBondContact O-N 3.19Å; T333-S335 VanDerWaalsContact O-N 3.13Å; T333-S335 PolarHBondContact OG1-N 3.13Å; S335-E337 PolarHBondContact O-N 2.91Å; S335-E337 PolarHBondContact OG-N 3.16Å; S335-E338 PolarHBondContact O-N 3.31Å | ||
| 336 | M | 55.4 | Low | 53.4 | Low | 131 Ų | 131 | 81.6 Ų | 81.6 | 65% | 0.645 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.9 | -20 | 169.6 | -73.6 | -66.4 | -107.5 | 0 | 0 | 112.4 | A330 E338 V339 S340 | A330-M336 HydrophobicContact CB-SD 4.21Å; M336-E338 VanDerWaalsContact C-N 3.34Å; M336-V339 WeakPolarHBondContact O-CB 3.17Å; M336-V339 PolarHBondContact O-N 3.32Å; M336-V339 HydrophobicContact SD-CG2 4.33Å; M336-S340 PolarHBondContact O-N 2.98Å; M336-S340 VanDerWaalsContact O-N 3.15Å; M336-S340 PolarHBondContact O-OG 3.11Å |
| 337 | E | 54.8 | Low | 53.5 | Low | 142 Ų | 142 | 83.4 Ų | 83.4 | 66% | 0.664 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.9 | -34.5 | 177.4 | -62.2 | -178.4 | 172.2 | 0 | 0 | 111.9 | S335 S340 R341 | S335-E337 PolarHBondContact O-N 2.91Å; S335-E337 PolarHBondContact OG-N 3.16Å; E337-S340 PolarHBondContact O-N 2.87Å; E337-R341 PolarHBondContact O-N 3.48Å; E337-R341 VanDerWaalsContact O-N 3.16Å |
| 338 | E | 52.4 | Low | 53.5 | Low | 75 Ų | 75 | 85.5 Ų | 85.5 | 35% | 0.35 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -73.8 | -31.6 | 176 | -69.4 | -178.7 | 165.4 | 0 | 0 | 112.1 | V329 T333 S335 M336 S340 R341 Y342 | V329-E338 HydrophobicContact CG1-CB 3.92Å; T333-E338 WeakPolarHBondContact CB-OE2 3.45Å; T333-E338 WeakPolarHBondContact CG2-OE2 3.1Å; T333-E338 PolarHBondContact OG1-OE2 2.92Å; S335-E338 PolarHBondContact O-N 3.31Å; M336-E338 VanDerWaalsContact C-N 3.34Å; E338-S340 VanDerWaalsContact C-N 3.34Å; E338-R341 PolarHBondContact O-N 3.33Å; E338-Y342 PolarHBondContact O-N 3.04Å |
| 339 | V | 50.3 | Low | 53.6 | Low | 21 Ų | 21 | 88.8 Ų | 88.8 | 13% | 0.127 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 170.3 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | A326 V329 A330 M336 R341 Y342 S343 | A326-V339 HydrophobicContact CB-CG1 3.6Å; A326-V339 WeakPolarHBondContact O-CG2 3.44Å; V329-V339 HydrophobicContact CB-CG2 4.34Å; V329-V339 HydrophobicContact CG1-CG2 4.21Å; A330-V339 HydrophobicContact CB-CG2 3.62Å; M336-V339 WeakPolarHBondContact O-CB 3.17Å; M336-V339 PolarHBondContact O-N 3.32Å; M336-V339 HydrophobicContact SD-CG2 4.33Å; V339-R341 PolarHBondContact O-N 3.47Å; V339-Y342 PolarHBondContact O-N 3.44Å; V339-S343 WeakPolarHBondContact O-CB 3.37Å; V339-S343 PolarHBondContact O-N 3.32Å; V339-S343 PolarHBondContact O-OG 3.15Å |
| 340 | S | 54.9 | Low | 53.3 | Low | 73 Ų | 73 | 92.6 Ų | 92.6 | 51% | 0.51 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 176.9 | -65.9 | 0 | 0 | 0 | 0 | 112 | M336 E337 E338 Y342 S343 S344 | M336-S340 PolarHBondContact O-N 2.98Å; M336-S340 VanDerWaalsContact O-N 3.15Å; M336-S340 PolarHBondContact O-OG 3.11Å; E337-S340 PolarHBondContact O-N 2.87Å; E338-S340 VanDerWaalsContact C-N 3.34Å; S340-Y342 PolarHBondContact O-N 3.16Å; S340-S343 WeakPolarHBondContact CA-OG 3.37Å; S340-S343 PolarHBondContact O-N 3.43Å; S340-S343 PolarHBondContact O-OG 3.39Å; S340-S344 WeakPolarHBondContact O-CB 3.48Å; S340-S344 PolarHBondContact O-N 3.34Å; S340-S344 PolarHBondContact O-OG 3.4Å; S340-S344 VanDerWaalsContact O-OG 3.11Å |
| 341 | R | 53.1 | Low | 53 | Low | 173 Ų | 173 | 96.9 Ų | 96.9 | 65% | 0.653 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.6 | -42.1 | 176.8 | -75 | -173.8 | -167.8 | 159.5 | 7.9 | 112.9 | E337 E338 V339 S344 A345 | E337-R341 PolarHBondContact O-N 3.48Å; E337-R341 VanDerWaalsContact O-N 3.16Å; E338-R341 PolarHBondContact O-N 3.33Å; V339-R341 PolarHBondContact O-N 3.47Å; R341-S344 WeakPolarHBondContact CA-OG 3.45Å; R341-S344 PolarHBondContact O-N 2.87Å; R341-S344 PolarHBondContact O-OG 2.81Å; R341-A345 PolarHBondContact O-N 3.05Å |
| 342 | Y | 49.6 | Very low | 53 | Low | 152 Ų | 152 | 101.2 Ų | 101.2 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.6 | -41.9 | 175.7 | -98.7 | -85.8 | 0 | 0 | 0 | 111.9 | V329 E338 V339 S340 S344 A345 | V329-Y342 HydrophobicContact CG2-CD2 4.31Å; E338-Y342 PolarHBondContact O-N 3.04Å; V339-Y342 PolarHBondContact O-N 3.44Å; S340-Y342 PolarHBondContact O-N 3.16Å; Y342-S344 PolarHBondContact O-N 2.9Å; Y342-A345 PolarHBondContact O-N 3.19Å; Y342-A345 VanDerWaalsContact O-N 3.16Å |
| 343 | S | 52.6 | Low | 52.8 | Low | 75 Ų | 75 | 96.6 Ų | 96.6 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.9 | -23.8 | 177.5 | 71.1 | 0 | 0 | 0 | 0 | 114 | V339 S340 | V339-S343 WeakPolarHBondContact O-CB 3.37Å; V339-S343 PolarHBondContact O-N 3.32Å; V339-S343 PolarHBondContact O-OG 3.15Å; S340-S343 WeakPolarHBondContact CA-OG 3.37Å; S340-S343 PolarHBondContact O-N 3.43Å; S340-S343 PolarHBondContact O-OG 3.39Å |
| 344 | S | 52.8 | Low | 52.2 | Low | 92 Ų | 92 | 98.8 Ų | 98.8 | 64% | 0.643 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -9 | 175.1 | 60.8 | 0 | 0 | 0 | 0 | 114.2 | S340 R341 Y342 | S340-S344 WeakPolarHBondContact O-CB 3.48Å; S340-S344 PolarHBondContact O-N 3.34Å; S340-S344 PolarHBondContact O-OG 3.4Å; S340-S344 VanDerWaalsContact O-OG 3.11Å; R341-S344 WeakPolarHBondContact CA-OG 3.45Å; R341-S344 PolarHBondContact O-N 2.87Å; R341-S344 PolarHBondContact O-OG 2.81Å; Y342-S344 PolarHBondContact O-N 2.9Å |
| 345 | A | 49.4 | Very low | 51.9 | Low | 84 Ų | 84 | 103 Ų | 103 | 69% | 0.694 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -10.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | R341 Y342 | R341-A345 PolarHBondContact O-N 3.05Å; Y342-A345 PolarHBondContact O-N 3.19Å; Y342-A345 VanDerWaalsContact O-N 3.16Å |
| 346 | L | 41.8 | Very low | 51.5 | Low | 188 Ų | 188 | 109.6 Ų | 109.6 | 98% | 0.984 | 58% | 0.581 | S | S | * | * | trans | -97.7 | 0 | 164.8 | -70.8 | 163.5 | 0 | 0 | 0 | 108.6 |
Retrieved 346 of 346 residues in 608.4 ms
(Link to these results)