| 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 | 38.2 | Very low | 44.2 | Very low | 207 Ų | 207 | 107.7 Ų | 107.7 | 100% | 1.02 | 58% | 0.582 | S | S | * | * | 0 | -10.4 | 0 | -71.6 | -165.4 | -136.8 | 0 | 0 | 116.7 | A3 | M1-A3 PolarHBondContact O-N 3.36Š| |||
| 2 | P | 40.8 | Very low | 45.7 | Very low | 110 Ų | 110 | 101.8 Ų | 101.8 | 71% | 0.714 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.2 | -27.3 | 176.5 | -18.3 | 30.4 | 0 | 0 | 0 | 115 | M5 T6 | P2-M5 WeakPolarHBondContact O-CB 3.49Å; P2-M5 PolarHBondContact O-N 2.93Å; P2-T6 PolarHBondContact O-OG1 2.93Å |
| 3 | A | 34.1 | Very low | 46.9 | Very low | 76 Ų | 76 | 94.6 Ų | 94.6 | 63% | 0.628 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -78.8 | -30.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | M1 M5 T6 | M1-A3 PolarHBondContact O-N 3.36Å; A3-M5 VanDerWaalsContact C-N 3.29Å; A3-T6 PolarHBondContact O-OG1 3.21Å |
| 4 | E | 34.5 | Very low | 48.4 | Very low | 149 Ų | 149 | 99.5 Ų | 99.5 | 70% | 0.696 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -75.7 | -23.6 | 173.2 | -76.4 | 177.4 | 151.7 | 0 | 0 | 111.8 | M7 | E4-M7 PolarHBondContact O-N 2.97Å |
| 5 | M | 39.3 | Very low | 50.4 | Low | 71 Ų | 71 | 98.9 Ų | 98.9 | 35% | 0.35 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.1 | -35.1 | -175.4 | -143.9 | 175.5 | -176.9 | 0 | 0 | 112.3 | P2 A3 R44 | P2-M5 WeakPolarHBondContact O-CB 3.49Å; P2-M5 PolarHBondContact O-N 2.93Å; A3-M5 VanDerWaalsContact C-N 3.29Å; M5-R44 VanDerWaalsContact CE-NH1 3.26Å; M5-R44 VanDerWaalsContact CE-NH2 3.26Å; M5-R44 PolarHBondContact SD-NH2 3.42Å; M5-R44 VanDerWaalsContact SD-NH2 3.37Å |
| 6 | T | 43.5 | Very low | 52.3 | Low | 89 Ų | 89 | 92.8 Ų | 92.8 | 55% | 0.546 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.5 | -31.8 | 174.7 | 13.9 | 0 | 0 | 0 | 0 | 112 | P2 A3 D10 | P2-T6 PolarHBondContact O-OG1 2.93Å; A3-T6 PolarHBondContact O-OG1 3.21Å; T6-D10 VanDerWaalsContact O-CB 3.32Å; T6-D10 WeakPolarHBondContact O-CB 3.47Å; T6-D10 PolarHBondContact O-N 2.81Å; T6-D10 VanDerWaalsContact O-N 3.07Å |
| 7 | M | 42.2 | Very low | 53.6 | Low | 143 Ų | 143 | 90.1 Ų | 90.1 | 70% | 0.704 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -72.5 | -31.7 | -175.5 | -67.8 | -162.5 | 82.9 | 0 | 0 | 114.7 | E4 | E4-M7 PolarHBondContact O-N 2.97Å |
| 8 | L | 44.3 | Very low | 55.1 | Low | 136 Ų | 136 | 87.4 Ų | 87.4 | 71% | 0.712 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -76.1 | -31 | 178 | -82.3 | 155.2 | 0 | 0 | 0 | 112.9 | P12 | L8-P12 WeakPolarHBondContact O-CD 3.46Å |
| 9 | A | 50.4 | Low | 56.4 | Low | 11 Ų | 11 | 85.8 Ų | 85.8 | 9% | 0.091 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -76.3 | -31.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | H11 A13 V45 | A9-H11 PolarHBondContact O-N 3.02Å; A9-A13 WeakPolarHBondContact O-CB 3.44Å; A9-A13 PolarHBondContact O-N 2.82Å; A9-V45 HydrophobicContact CB-CG1 3.68Å; A9-V45 HydrophobicContact CB-CG2 4.36Å |
| 10 | D | 54.7 | Low | 57.7 | Low | 58 Ų | 58 | 89.3 Ų | 89.3 | 31% | 0.31 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.1 | -37.8 | -173 | -125.8 | -21.5 | 0 | 0 | 0 | 113.2 | T6 R14 | T6-D10 VanDerWaalsContact O-CB 3.32Å; T6-D10 WeakPolarHBondContact O-CB 3.47Å; T6-D10 PolarHBondContact O-N 2.81Å; T6-D10 VanDerWaalsContact O-N 3.07Å; D10-R14 VanDerWaalsContact CG-NH2 3.34Å; D10-R14 WeakPolarHBondContact O-CB 3.31Å; D10-R14 WeakPolarHBondContact O-CD 3.4Å; D10-R14 WeakPolarHBondContact O-CG 3.4Å; D10-R14 PolarHBondContact O-N 3.01Å; D10-R14 IonicContact OD1-CZ 3.06Å; D10-R14 IonicContact OD1-NE 3.5Å; D10-R14 PolarHBondContact OD1-NE 3.19Å; D10-R14 IonicContact OD1-NH2 3.95Å; D10-R14 PolarHBondContact OD1-NH2 3.38Å; D10-R14 IonicContact OD2-CZ 3.41Å; D10-R14 VanDerWaalsContact OD2-CZ 3.28Å; D10-R14 IonicContact OD2-NE 2.75Å; D10-R14 PolarHBondContact OD2-NE 3.47Å; D10-R14 IonicContact OD2-NH2 2.75Å; D10-R14 PolarHBondContact OD2-NH2 3.04Å |
| 11 | H | 64.9 | Low | 58.9 | Low | 135 Ų | 135 | 91 Ų | 91 | 63% | 0.625 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -71.1 | -50 | -172.7 | -168 | -55.3 | 0 | 0 | 0 | 113.6 | A9 Q15 | A9-H11 PolarHBondContact O-N 3.02Å; H11-Q15 WeakPolarHBondContact O-CB 3.48Å; H11-Q15 PolarHBondContact O-N 3.38Å |
| 12 | P | 61.3 | Low | 61 | Low | 37 Ų | 37 | 91 Ų | 91 | 24% | 0.24 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -67.5 | -37.2 | 174.9 | -17.4 | 31.8 | 0 | 0 | 0 | 112.1 | L8 Q15 L16 L27 | L8-P12 WeakPolarHBondContact O-CD 3.46Å; P12-Q15 PolarHBondContact O-N 2.7Å; P12-L16 WeakPolarHBondContact O-CB 3.2Å; P12-L16 WeakPolarHBondContact O-CG 3.48Å; P12-L16 PolarHBondContact O-N 3.46Å; P12-L27 HydrophobicContact CB-CD1 4.47Å |
| 13 | A | 61.8 | Low | 63.2 | Low | 8 Ų | 8 | 86.7 Ų | 86.7 | 7% | 0.066 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.5 | -49.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A9 Q15 L16 L17 V49 | A9-A13 WeakPolarHBondContact O-CB 3.44Å; A9-A13 PolarHBondContact O-N 2.82Å; A13-Q15 VanDerWaalsContact C-N 3.25Å; A13-Q15 PolarHBondContact O-N 3.08Å; A13-L16 PolarHBondContact O-N 3.12Å; A13-L17 HydrophobicContact CB-CD1 4.43Å; A13-L17 WeakPolarHBondContact O-CB 3.41Å; A13-L17 WeakPolarHBondContact O-CD1 3.31Å; A13-L17 WeakPolarHBondContact O-CG 3.45Å; A13-L17 PolarHBondContact O-N 3.43Å; A13-V49 HydrophobicContact CB-CB 4.32Å; A13-V49 HydrophobicContact CB-CG1 3.96Å; A13-V49 HydrophobicContact CB-CG2 3.75Å |
| 14 | R | 67.9 | Low | 65.8 | Low | 163 Ų | 163 | 86.1 Ų | 86.1 | 62% | 0.615 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.3 | -35.2 | 177.3 | -74.6 | 174 | -173.2 | -160.8 | 4.6 | 112.4 | D10 L17 D18 | D10-R14 VanDerWaalsContact CG-NH2 3.34Å; D10-R14 WeakPolarHBondContact O-CB 3.31Å; D10-R14 WeakPolarHBondContact O-CD 3.4Å; D10-R14 WeakPolarHBondContact O-CG 3.4Å; D10-R14 PolarHBondContact O-N 3.01Å; D10-R14 IonicContact OD1-CZ 3.06Å; D10-R14 IonicContact OD1-NE 3.5Å; D10-R14 PolarHBondContact OD1-NE 3.19Å; D10-R14 IonicContact OD1-NH2 3.95Å; D10-R14 PolarHBondContact OD1-NH2 3.38Å; D10-R14 IonicContact OD2-CZ 3.41Å; D10-R14 VanDerWaalsContact OD2-CZ 3.28Å; D10-R14 IonicContact OD2-NE 2.75Å; D10-R14 PolarHBondContact OD2-NE 3.47Å; D10-R14 IonicContact OD2-NH2 2.75Å; D10-R14 PolarHBondContact OD2-NH2 3.04Å; R14-L17 CarbonylContact O-C 3.55Å; R14-D18 PolarHBondContact O-N 3.45Å |
| 15 | Q | 78.5 | Confident | 68.5 | Low | 91 Ų | 91 | 80.5 Ų | 80.5 | 43% | 0.425 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -73.4 | -40.3 | 178.7 | -163.6 | 175.1 | 4.9 | 0 | 0 | 112.2 | H11 P12 A13 L17 D18 L27 | H11-Q15 WeakPolarHBondContact O-CB 3.48Å; H11-Q15 PolarHBondContact O-N 3.38Å; P12-Q15 PolarHBondContact O-N 2.7Å; A13-Q15 VanDerWaalsContact C-N 3.25Å; A13-Q15 PolarHBondContact O-N 3.08Å; Q15-L17 VanDerWaalsContact C-N 3.31Å; Q15-D18 PolarHBondContact O-N 3.12Å; Q15-L27 HydrophobicContact CB-CD2 4.26Å; Q15-L27 HydrophobicContact CG-CD2 4.34Å |
| 16 | L | 79.9 | Confident | 70.8 | Confident | 1 Ų | 1 | 83.3 Ų | 83.3 | 1% | 0.005 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -70.4 | -27.6 | 174 | -70.5 | 173.1 | 0 | 0 | 0 | 112.7 | P12 A13 L23 L27 L28 V31 V49 R62 | P12-L16 WeakPolarHBondContact O-CB 3.2Å; P12-L16 WeakPolarHBondContact O-CG 3.48Å; P12-L16 PolarHBondContact O-N 3.46Å; A13-L16 PolarHBondContact O-N 3.12Å; L16-L23 HydrophobicContact CD2-CD1 3.74Å; L16-L27 HydrophobicContact CD1-CG 4.37Å; L16-L27 HydrophobicContact CD2-CB 4.29Å; L16-L27 HydrophobicContact CD2-CD2 4.05Å; L16-L27 HydrophobicContact CD2-CG 4.1Å; L16-L27 HydrophobicContact CG-CD2 3.92Å; L16-L27 HydrophobicContact CG-CG 4.19Å; L16-L28 HydrophobicContact CD1-CD1 4.26Å; L16-L28 HydrophobicContact CD2-CB 3.94Å; L16-V31 HydrophobicContact CD1-CG2 4.1Å; L16-V49 HydrophobicContact CD1-CG1 3.99Å; L16-R62 PolarHBondContact O-NH1 2.9Å |
| 17 | L | 74.4 | Confident | 73 | Confident | 47 Ų | 47 | 81 Ų | 81 | 25% | 0.246 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 0.7 | 177 | -69.4 | 168 | 0 | 0 | 0 | 114 | A13 R14 Q15 F19 L53 H56 | A13-L17 HydrophobicContact CB-CD1 4.43Å; A13-L17 WeakPolarHBondContact O-CB 3.41Å; A13-L17 WeakPolarHBondContact O-CD1 3.31Å; A13-L17 WeakPolarHBondContact O-CG 3.45Å; A13-L17 PolarHBondContact O-N 3.43Å; R14-L17 CarbonylContact O-C 3.55Å; Q15-L17 VanDerWaalsContact C-N 3.31Å; L17-F19 HydrophobicContact CD2-CE2 4.47Å; L17-F19 WeakPolarHBondContact O-CD2 3.28Å; L17-F19 VanDerWaalsContact O-CE2 3.3Å; L17-F19 WeakPolarHBondContact O-CE2 3.46Å; L17-F19 PolarHBondContact O-N 3.45Å; L17-L53 HydrophobicContact CD2-CB 4.24Å; L17-L53 HydrophobicContact CD2-CD1 3.77Å; L17-L53 HydrophobicContact CG-CD1 4.46Å; L17-H56 HydrophobicContact CD2-CB 3.9Å |
| 18 | D | 81 | Confident | 75.4 | Confident | 41 Ų | 41 | 74.1 Ų | 74.1 | 22% | 0.219 | 36% | 0.363 | C | S | . | . | trans | -81.6 | 98 | 176.7 | -175.4 | 3.7 | 0 | 0 | 0 | 110.8 | R14 Q15 N20 Q21 R62 | R14-D18 PolarHBondContact O-N 3.45Å; Q15-D18 PolarHBondContact O-N 3.12Å; D18-N20 PolarHBondContact O-N 3.18Å; D18-N20 WeakPolarHBondContact OD1-CB 3.4Å; D18-N20 PolarHBondContact OD1-N 2.81Å; D18-N20 PolarHBondContact OD1-ND2 3.33Å; D18-Q21 PolarHBondContact O-N 3.41Å; D18-Q21 WeakPolarHBondContact OD2-CG 2.96Å; D18-Q21 PolarHBondContact OD2-NE2 2.87Å; D18-R62 PolarHBondContact O-NH2 3.22Å | ||
| 19 | F | 80.8 | Confident | 77.6 | Confident | 57 Ų | 57 | 68.8 Ų | 68.8 | 25% | 0.25 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -5.7 | 178.3 | -67.6 | -88.6 | 0 | 0 | 0 | 114.7 | L17 H56 D58 R62 | L17-F19 HydrophobicContact CD2-CE2 4.47Å; L17-F19 WeakPolarHBondContact O-CD2 3.28Å; L17-F19 VanDerWaalsContact O-CE2 3.3Å; L17-F19 WeakPolarHBondContact O-CE2 3.46Å; L17-F19 PolarHBondContact O-N 3.45Å; F19-H56 AromaticContact CD2-CE1 3.53Å; F19-H56 AromaticContact CD2-ND1 3.99Å; F19-H56 AromaticContact CE2-CD2 3.88Å; F19-H56 AromaticContact CE2-CE1 3.07Å; F19-H56 WeakPolarHBondContact CE2-CE1 3.41Å; F19-H56 AromaticContact CE2-CG 3.63Å; F19-H56 AromaticContact CE2-ND1 3.09Å; F19-H56 WeakPolarHBondContact CE2-ND1 3.3Å; F19-H56 AromaticContact CE2-NE2 3.57Å; F19-H56 AromaticContact CZ-CE1 3.66Å; F19-H56 AromaticContact CZ-CG 3.88Å; F19-H56 AromaticContact CZ-ND1 3.23Å; F19-H56 WeakPolarHBondContact CZ-ND1 3.27Å; F19-D58 HydrophobicContact CD1-CB 3.9Å; F19-D58 HydrophobicContact CE1-CB 3.72Å; F19-D58 VanDerWaalsContact CE1-O 3.28Å; F19-D58 WeakPolarHBondContact CE1-O 3.43Å; F19-D58 HydrophobicContact CG-CB 4.39Å; F19-D58 HydrophobicContact CZ-CB 4.07Å; F19-R62 HydrophobicContact CE1-CG 4.13Å |
| 20 | N | 81.1 | Confident | 79.5 | Confident | 156 Ų | 156 | 71.4 Ų | 71.4 | 83% | 0.834 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -7.4 | 176.5 | -55.5 | -64.2 | 0 | 0 | 0 | 113.4 | D18 | D18-N20 PolarHBondContact O-N 3.18Å; D18-N20 WeakPolarHBondContact OD1-CB 3.4Å; D18-N20 PolarHBondContact OD1-N 2.81Å; D18-N20 PolarHBondContact OD1-ND2 3.33Å |
| 21 | Q | 83.1 | Confident | 81.2 | Confident | 125 Ų | 125 | 69.3 Ų | 69.3 | 58% | 0.584 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -122.3 | 162.1 | 179.8 | -61.4 | -176.4 | 40.8 | 0 | 0 | 111.2 | D18 R62 | D18-Q21 PolarHBondContact O-N 3.41Å; D18-Q21 WeakPolarHBondContact OD2-CG 2.96Å; D18-Q21 PolarHBondContact OD2-NE2 2.87Å; Q21-R62 PolarHBondContact O-NH2 3.13Å |
| 22 | K | 82 | Confident | 82.5 | Confident | 207 Ų | 207 | 63 Ų | 63 | 90% | 0.9 | 31% | 0.313 | S | S | * | . | trans | -63.7 | 137.3 | 171.6 | -70.1 | -174.8 | 176.8 | -175.5 | 0 | 109.5 | D24 | K22-D24 PolarHBondContact O-N 3.45Š| ||
| 23 | L | 87.3 | Confident | 83.8 | Confident | 19 Ų | 19 | 64 Ų | 64 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | trans | -63.7 | 128.7 | 177.2 | 176.8 | 67.8 | 0 | 0 | 0 | 110.6 | L16 I25 L28 R62 I66 | L16-L23 HydrophobicContact CD2-CD1 3.74Å; L23-I25 PolarHBondContact O-N 3.36Å; L23-L28 HydrophobicContact CD2-CD2 4.32Å; L23-R62 VanDerWaalsContact CD1-NH1 3.32Å; L23-R62 HydrophobicContact CD2-CB 4.04Å; L23-I66 HydrophobicContact CD2-CD1 3.81Å; L23-I66 HydrophobicContact CD2-CG1 3.42Å; L23-I66 VanDerWaalsContact CD2-CG1 3.42Å | ||
| 24 | D | 88.8 | Confident | 85.1 | Confident | 64 Ų | 64 | 64.9 Ų | 64.9 | 34% | 0.342 | 32% | 0.322 | S | S | . | . | trans | -81.6 | 100 | 171 | -170.4 | -20 | 0 | 0 | 0 | 110.4 | K22 N26 L27 L28 | K22-D24 PolarHBondContact O-N 3.45Å; D24-N26 VanDerWaalsContact C-N 3.33Å; D24-N26 WeakPolarHBondContact OD1-CB 3.32Å; D24-N26 PolarHBondContact OD1-N 2.97Å; D24-L27 HydrophobicContact CB-CB 3.93Å; D24-L27 PolarHBondContact O-N 2.87Å; D24-L27 PolarHBondContact OD1-N 3.37Å; D24-L27 VanDerWaalsContact OD1-N 3.08Å; D24-L28 PolarHBondContact O-N 3.15Å; D24-L28 VanDerWaalsContact O-N 3.13Å | ||
| 25 | I | 90.7 | Very high | 86.2 | Confident | 31 Ų | 31 | 60 Ų | 60 | 16% | 0.159 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.6 | -31.7 | -179.4 | -61.3 | 135.4 | 0 | 0 | 0 | 111.7 | L23 L28 D29 T65 F69 | L23-I25 PolarHBondContact O-N 3.36Å; I25-L28 PolarHBondContact O-N 3.4Å; I25-D29 WeakPolarHBondContact O-CB 3.36Å; I25-D29 PolarHBondContact O-N 2.79Å; I25-T65 HydrophobicContact CD1-CG2 4.3Å; I25-F69 HydrophobicContact CD1-CB 3.41Å; I25-F69 VanDerWaalsContact CD1-CB 3.41Å; I25-F69 HydrophobicContact CD1-CD2 4.06Å; I25-F69 HydrophobicContact CD1-CG 4.02Å; I25-F69 HydrophobicContact CG1-CB 4.36Å |
| 26 | N | 88.9 | Confident | 86.6 | Confident | 131 Ų | 131 | 60.3 Ų | 60.3 | 70% | 0.701 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68.8 | -40.2 | 179.2 | -68.1 | -40.5 | 0 | 0 | 0 | 110.6 | D24 D29 S30 | D24-N26 VanDerWaalsContact C-N 3.33Å; D24-N26 WeakPolarHBondContact OD1-CB 3.32Å; D24-N26 PolarHBondContact OD1-N 2.97Å; N26-D29 PolarHBondContact O-N 2.93Å; N26-S30 WeakPolarHBondContact O-CB 3.35Å; N26-S30 PolarHBondContact O-N 3.44Å |
| 27 | L | 89.4 | Confident | 87.1 | Confident | 39 Ų | 39 | 65.9 Ų | 65.9 | 20% | 0.204 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 173.1 | -178.9 | 60.7 | 0 | 0 | 0 | 110.9 | P12 Q15 L16 D24 D29 S30 V31 | P12-L27 HydrophobicContact CB-CD1 4.47Å; Q15-L27 HydrophobicContact CB-CD2 4.26Å; Q15-L27 HydrophobicContact CG-CD2 4.34Å; L16-L27 HydrophobicContact CD1-CG 4.37Å; L16-L27 HydrophobicContact CD2-CB 4.29Å; L16-L27 HydrophobicContact CD2-CD2 4.05Å; L16-L27 HydrophobicContact CD2-CG 4.1Å; L16-L27 HydrophobicContact CG-CD2 3.92Å; L16-L27 HydrophobicContact CG-CG 4.19Å; D24-L27 HydrophobicContact CB-CB 3.93Å; D24-L27 PolarHBondContact O-N 2.87Å; D24-L27 PolarHBondContact OD1-N 3.37Å; D24-L27 VanDerWaalsContact OD1-N 3.08Å; L27-D29 PolarHBondContact O-N 2.65Å; L27-S30 WeakPolarHBondContact O-CB 3.28Å; L27-S30 PolarHBondContact O-N 3.38Å; L27-V31 HydrophobicContact CD1-CG2 4.45Å; L27-V31 WeakPolarHBondContact O-CG2 3.47Å; L27-V31 PolarHBondContact O-N 3.39Å |
| 28 | L | 91.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 177.6 | -176.9 | 62.4 | 0 | 0 | 0 | 111.9 | L16 L23 D24 I25 S30 V31 V32 L50 L53 I66 T75 Y78 | L16-L28 HydrophobicContact CD1-CD1 4.26Å; L16-L28 HydrophobicContact CD2-CB 3.94Å; L23-L28 HydrophobicContact CD2-CD2 4.32Å; D24-L28 PolarHBondContact O-N 3.15Å; D24-L28 VanDerWaalsContact O-N 3.13Å; I25-L28 PolarHBondContact O-N 3.4Å; L28-S30 VanDerWaalsContact C-N 3.27Å; L28-S30 PolarHBondContact O-N 2.78Å; L28-V31 PolarHBondContact O-N 3Å; L28-V32 HydrophobicContact CD1-CG2 4.29Å; L28-V32 HydrophobicContact CG-CG2 4.44Å; L28-V32 WeakPolarHBondContact O-CG2 3.33Å; L28-V32 PolarHBondContact O-N 3.35Å; L28-L50 HydrophobicContact CD1-CD2 3.93Å; L28-L53 HydrophobicContact CD1-CD2 3.92Å; L28-I66 HydrophobicContact CD2-CD1 3.71Å; L28-I66 HydrophobicContact CD2-CG1 3.83Å; L28-I66 HydrophobicContact CD2-CG2 4.13Å; L28-T75 HydrophobicContact CD2-CG2 3.64Å; L28-T75 HydrophobicContact CG-CG2 3.75Å; L28-Y78 HydrophobicContact CD1-CD1 4.49Å; L28-Y78 HydrophobicContact CD1-CE1 4.21Å |
| 29 | D | 92.3 | Very high | 88 | Confident | 23 Ų | 23 | 71.3 Ų | 71.3 | 12% | 0.123 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 176.1 | -81.1 | -5.7 | 0 | 0 | 0 | 111.5 | I25 N26 L27 N33 S70 T75 | I25-D29 WeakPolarHBondContact O-CB 3.36Å; I25-D29 PolarHBondContact O-N 2.79Å; N26-D29 PolarHBondContact O-N 2.93Å; L27-D29 PolarHBondContact O-N 2.65Å; D29-N33 VanDerWaalsContact O-CB 3.26Å; D29-N33 WeakPolarHBondContact O-CB 3.45Å; D29-N33 PolarHBondContact O-N 3.47Å; D29-N33 PolarHBondContact O-ND2 3.43Å; D29-N33 VanDerWaalsContact O-ND2 3.1Å; D29-S70 PolarHBondContact OD1-OG 3.22Å; D29-S70 PolarHBondContact OD2-OG 2.65Å; D29-T75 WeakPolarHBondContact OD1-CB 3.49Å; D29-T75 VanDerWaalsContact OD1-CG2 3.24Å; D29-T75 WeakPolarHBondContact OD1-CG2 3.25Å; D29-T75 PolarHBondContact OD1-OG1 3.47Å |
| 30 | S | 89.4 | Confident | 88.3 | Confident | 66 Ų | 66 | 70.7 Ų | 70.7 | 46% | 0.462 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 174.5 | -170.4 | 0 | 0 | 0 | 0 | 111.9 | N26 L27 L28 N33 S34 | N26-S30 WeakPolarHBondContact O-CB 3.35Å; N26-S30 PolarHBondContact O-N 3.44Å; L27-S30 WeakPolarHBondContact O-CB 3.28Å; L27-S30 PolarHBondContact O-N 3.38Å; L28-S30 VanDerWaalsContact C-N 3.27Å; L28-S30 PolarHBondContact O-N 2.78Å; S30-N33 PolarHBondContact O-N 2.93Å; S30-S34 PolarHBondContact O-N 3.2Å; S30-S34 PolarHBondContact O-OG 3.43Å |
| 31 | V | 90.2 | Very high | 88.4 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | -179.9 | 174.4 | 0 | 0 | 0 | 0 | 111 | L16 L27 L28 S34 M35 A46 V49 L50 | L16-V31 HydrophobicContact CD1-CG2 4.1Å; L27-V31 HydrophobicContact CD1-CG2 4.45Å; L27-V31 WeakPolarHBondContact O-CG2 3.47Å; L27-V31 PolarHBondContact O-N 3.39Å; L28-V31 PolarHBondContact O-N 3Å; V31-S34 PolarHBondContact O-N 3.22Å; V31-M35 PolarHBondContact O-N 2.98Å; V31-A46 HydrophobicContact CG1-CB 4.01Å; V31-V49 HydrophobicContact CG1-CB 4.33Å; V31-V49 HydrophobicContact CG1-CG1 4.25Å; V31-L50 HydrophobicContact CG1-CD1 4.4Å; V31-L50 HydrophobicContact CG1-CD2 4.09Å; V31-L50 HydrophobicContact CG1-CG 3.95Å |
| 32 | V | 91.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.006 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 173.7 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | L28 S34 M35 Y36 L50 K74 T75 | L28-V32 HydrophobicContact CD1-CG2 4.29Å; L28-V32 HydrophobicContact CG-CG2 4.44Å; L28-V32 WeakPolarHBondContact O-CG2 3.33Å; L28-V32 PolarHBondContact O-N 3.35Å; V32-S34 VanDerWaalsContact C-N 3.31Å; V32-S34 PolarHBondContact O-N 2.74Å; V32-M35 WeakPolarHBondContact O-CB 3.46Å; V32-M35 PolarHBondContact O-N 3.37Å; V32-M35 VanDerWaalsContact O-N 3.11Å; V32-Y36 HydrophobicContact CG1-CD2 3.85Å; V32-Y36 HydrophobicContact CG1-CE2 3.8Å; V32-Y36 VanDerWaalsContact O-CD2 3.27Å; V32-Y36 WeakPolarHBondContact O-CD2 3.38Å; V32-Y36 PolarHBondContact O-N 3.38Å; V32-L50 HydrophobicContact CG2-CD1 4.2Å; V32-L50 HydrophobicContact CG2-CD2 3.79Å; V32-K74 HydrophobicContact CG1-CB 3.61Å; V32-T75 HydrophobicContact CG2-CG2 4.28Å |
| 33 | N | 90.2 | Very high | 88.5 | Confident | 58 Ų | 58 | 62.5 Ų | 62.5 | 31% | 0.31 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 177.1 | -79.6 | -32.3 | 0 | 0 | 0 | 112.8 | D29 S30 M35 Y36 H37 N72 | D29-N33 VanDerWaalsContact O-CB 3.26Å; D29-N33 WeakPolarHBondContact O-CB 3.45Å; D29-N33 PolarHBondContact O-N 3.47Å; D29-N33 PolarHBondContact O-ND2 3.43Å; D29-N33 VanDerWaalsContact O-ND2 3.1Å; S30-N33 PolarHBondContact O-N 2.93Å; N33-M35 VanDerWaalsContact C-N 3.32Å; N33-M35 PolarHBondContact O-N 2.72Å; N33-Y36 PolarHBondContact O-N 3.21Å; N33-H37 PolarHBondContact O-N 3.17Å; N33-H37 PolarHBondContact O-ND1 3.16Å; N33-N72 PolarHBondContact ND2-ND2 2.94Å; N33-N72 PolarHBondContact OD1-ND2 3.3Å |
| 34 | S | 88.5 | Confident | 88.4 | Confident | 27 Ų | 27 | 66.9 Ų | 66.9 | 19% | 0.189 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 173.6 | -75.4 | 0 | 0 | 0 | 0 | 112.4 | S30 V31 V32 Y36 D38 | S30-S34 PolarHBondContact O-N 3.2Å; S30-S34 PolarHBondContact O-OG 3.43Å; V31-S34 PolarHBondContact O-N 3.22Å; V32-S34 VanDerWaalsContact C-N 3.31Å; V32-S34 PolarHBondContact O-N 2.74Å; S34-Y36 VanDerWaalsContact C-N 3.28Å; S34-Y36 PolarHBondContact O-N 2.94Å; S34-D38 WeakPolarHBondContact CA-OD2 3.46Å; S34-D38 WeakPolarHBondContact CB-OD2 3.19Å; S34-D38 VanDerWaalsContact O-CB 3.31Å; S34-D38 WeakPolarHBondContact O-CB 3.36Å; S34-D38 PolarHBondContact O-N 3.48Å; S34-D38 PolarHBondContact OG-OD2 3.47Å |
| 35 | M | 89.9 | Confident | 88.2 | Confident | 61 Ų | 61 | 65.5 Ų | 65.5 | 30% | 0.3 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.4 | -35.4 | 176.3 | -179.6 | -93.1 | -169.2 | 0 | 0 | 112.9 | V31 V32 N33 Q43 A46 L50 | V31-M35 PolarHBondContact O-N 2.98Å; V32-M35 WeakPolarHBondContact O-CB 3.46Å; V32-M35 PolarHBondContact O-N 3.37Å; V32-M35 VanDerWaalsContact O-N 3.11Å; N33-M35 VanDerWaalsContact C-N 3.32Å; N33-M35 PolarHBondContact O-N 2.72Å; M35-Q43 PolarHBondContact O-NE2 3.29Å; M35-A46 HydrophobicContact CB-CB 4.02Å; M35-L50 HydrophobicContact CB-CD1 3.83Å; M35-L50 HydrophobicContact CG-CD1 4.01Å |
| 36 | Y | 88.1 | Confident | 88 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 38% | 0.384 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -93 | -17.7 | -177.2 | -76.3 | -83.4 | 0 | 0 | 0 | 115.5 | V32 N33 S34 K74 | V32-Y36 HydrophobicContact CG1-CD2 3.85Å; V32-Y36 HydrophobicContact CG1-CE2 3.8Å; V32-Y36 VanDerWaalsContact O-CD2 3.27Å; V32-Y36 WeakPolarHBondContact O-CD2 3.38Å; V32-Y36 PolarHBondContact O-N 3.38Å; N33-Y36 PolarHBondContact O-N 3.21Å; S34-Y36 VanDerWaalsContact C-N 3.28Å; S34-Y36 PolarHBondContact O-N 2.94Å; Y36-K74 HydrophobicContact CD1-CD 4.14Å; Y36-K74 HydrophobicContact CD2-CB 4.03Å; Y36-K74 HydrophobicContact CD2-CD 3.6Å; Y36-K74 HydrophobicContact CD2-CG 4.09Å; Y36-K74 HydrophobicContact CE2-CB 3.74Å; Y36-K74 HydrophobicContact CE2-CD 4.05Å; Y36-K74 HydrophobicContact CE2-CG 4.01Å; Y36-K74 HydrophobicContact CG-CD 3.66Å; Y36-K74 HydrophobicContact CG-CG 4.45Å |
| 37 | H | 89.5 | Confident | 87.9 | Confident | 117 Ų | 117 | 63.2 Ų | 63.2 | 54% | 0.542 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -127.5 | -25.7 | -173.5 | -51.6 | 95.8 | 0 | 0 | 0 | 114.7 | N33 K74 | N33-H37 PolarHBondContact O-N 3.17Å; N33-H37 PolarHBondContact O-ND1 3.16Å; H37-K74 PolarHBondContact CE1-NZ 3.32Å; H37-K74 PolarHBondContact NE2-NZ 3.27Å |
| 38 | D | 89.1 | Confident | 87.8 | Confident | 50 Ų | 50 | 64.8 Ų | 64.8 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | trans | -83.3 | 162.2 | 178.2 | -60.4 | -25.5 | 0 | 0 | 0 | 110.7 | S34 Q42 Q43 | S34-D38 WeakPolarHBondContact CA-OD2 3.46Å; S34-D38 WeakPolarHBondContact CB-OD2 3.19Å; S34-D38 VanDerWaalsContact O-CB 3.31Å; S34-D38 WeakPolarHBondContact O-CB 3.36Å; S34-D38 PolarHBondContact O-N 3.48Å; S34-D38 PolarHBondContact OG-OD2 3.47Å; D38-Q42 HydrophobicContact CB-CB 4.07Å; D38-Q43 WeakPolarHBondContact O-CB 3.34Å | ||
| 39 | I | 85.6 | Confident | 87.6 | Confident | 152 Ų | 152 | 65 Ų | 65 | 78% | 0.779 | 33% | 0.334 | S | S | * | . | trans | -126.4 | 146.5 | -176.3 | -53.3 | 173.3 | 0 | 0 | 0 | 109.9 | ||||
| 40 | G | 87.1 | Confident | 87.5 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 45% | 0.454 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | -128.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q42 Q43 R44 | G40-Q42 PolarHBondContact O-N 2.93Å; G40-Q43 PolarHBondContact O-N 2.87Å; G40-R44 PolarHBondContact O-N 3.31Å; G40-R44 VanDerWaalsContact O-N 3.14Å |
| 41 | N | 83.7 | Confident | 87.4 | Confident | 115 Ų | 115 | 64.3 Ų | 64.3 | 62% | 0.615 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.9 | -38.6 | -169.5 | -70.7 | -18.4 | 0 | 0 | 0 | 113.6 | R44 V45 | N41-R44 PolarHBondContact O-N 2.85Å; N41-V45 WeakPolarHBondContact O-CG2 3.42Å; N41-V45 PolarHBondContact O-N 3.46Å |
| 42 | Q | 80.4 | Confident | 87.3 | Confident | 126 Ų | 126 | 68 Ų | 68 | 59% | 0.589 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.6 | -39.9 | 179.7 | -76.5 | -179.4 | -24.7 | 0 | 0 | 112 | D38 G40 V45 A46 | D38-Q42 HydrophobicContact CB-CB 4.07Å; G40-Q42 PolarHBondContact O-N 2.93Å; Q42-V45 PolarHBondContact O-N 3.28Å; Q42-A46 WeakPolarHBondContact O-CB 3.4Å; Q42-A46 PolarHBondContact O-N 3.33Å |
| 43 | Q | 86.6 | Confident | 87.1 | Confident | 76 Ų | 76 | 68 Ų | 68 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 175.5 | -166.6 | -179.6 | 25.4 | 0 | 0 | 111.5 | M35 D38 G40 A46 Q47 | M35-Q43 PolarHBondContact O-NE2 3.29Å; D38-Q43 WeakPolarHBondContact O-CB 3.34Å; G40-Q43 PolarHBondContact O-N 2.87Å; Q43-A46 PolarHBondContact O-N 3.34Å; Q43-Q47 WeakPolarHBondContact O-CB 3.32Å; Q43-Q47 PolarHBondContact O-N 3.05Å |
| 44 | R | 84.3 | Confident | 86.9 | Confident | 111 Ų | 111 | 68.7 Ų | 68.7 | 42% | 0.419 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 178.4 | -159.7 | -173.3 | 95.2 | -172.4 | 2.2 | 111.8 | M5 G40 N41 Q47 E48 | M5-R44 VanDerWaalsContact CE-NH1 3.26Å; M5-R44 VanDerWaalsContact CE-NH2 3.26Å; M5-R44 PolarHBondContact SD-NH2 3.42Å; M5-R44 VanDerWaalsContact SD-NH2 3.37Å; G40-R44 PolarHBondContact O-N 3.31Å; G40-R44 VanDerWaalsContact O-N 3.14Å; N41-R44 PolarHBondContact O-N 2.85Å; R44-Q47 PolarHBondContact O-N 3.46Å; R44-E48 IonicContact CZ-OE1 3.01Å; R44-E48 IonicContact NE-OE1 3.71Å; R44-E48 PolarHBondContact NE-OE1 3.5Å; R44-E48 IonicContact NH2-OE1 2.74Å; R44-E48 PolarHBondContact NH2-OE1 3.3Å; R44-E48 WeakPolarHBondContact O-CG 3.44Å; R44-E48 PolarHBondContact O-N 3.18Å |
| 45 | V | 84.7 | Confident | 86.6 | Confident | 34 Ų | 34 | 72.8 Ų | 72.8 | 21% | 0.206 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 176.1 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | A9 N41 Q42 Q47 E48 V49 | A9-V45 HydrophobicContact CB-CG1 3.68Å; A9-V45 HydrophobicContact CB-CG2 4.36Å; N41-V45 WeakPolarHBondContact O-CG2 3.42Å; N41-V45 PolarHBondContact O-N 3.46Å; Q42-V45 PolarHBondContact O-N 3.28Å; V45-Q47 VanDerWaalsContact C-N 3.3Å; V45-Q47 PolarHBondContact O-N 3.29Å; V45-E48 PolarHBondContact O-N 3.4Å; V45-V49 HydrophobicContact CG1-CG2 4.38Å; V45-V49 VanDerWaalsContact O-CG2 3.29Å; V45-V49 WeakPolarHBondContact O-CG2 3.48Å; V45-V49 PolarHBondContact O-N 2.89Å |
| 46 | A | 86.2 | Confident | 86.4 | Confident | 6 Ų | 6 | 72.6 Ų | 72.6 | 5% | 0.05 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.3 | -41 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V31 M35 Q42 Q43 V49 L50 | V31-A46 HydrophobicContact CG1-CB 4.01Å; M35-A46 HydrophobicContact CB-CB 4.02Å; Q42-A46 WeakPolarHBondContact O-CB 3.4Å; Q42-A46 PolarHBondContact O-N 3.33Å; Q43-A46 PolarHBondContact O-N 3.34Å; A46-V49 PolarHBondContact O-N 3.42Å; A46-L50 WeakPolarHBondContact O-CB 3.12Å; A46-L50 VanDerWaalsContact O-CG 3.24Å; A46-L50 WeakPolarHBondContact O-CG 3.39Å; A46-L50 PolarHBondContact O-N 3.29Å |
| 47 | Q | 88.2 | Confident | 86.1 | Confident | 109 Ų | 109 | 70.5 Ų | 70.5 | 51% | 0.509 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 175.2 | -177.6 | -179.4 | -2.9 | 0 | 0 | 112.3 | Q43 R44 V45 V49 L50 T51 | Q43-Q47 WeakPolarHBondContact O-CB 3.32Å; Q43-Q47 PolarHBondContact O-N 3.05Å; R44-Q47 PolarHBondContact O-N 3.46Å; V45-Q47 VanDerWaalsContact C-N 3.3Å; V45-Q47 PolarHBondContact O-N 3.29Å; Q47-V49 PolarHBondContact O-N 3.22Å; Q47-L50 PolarHBondContact O-N 2.86Å; Q47-T51 WeakPolarHBondContact O-CB 3.4Å; Q47-T51 PolarHBondContact O-N 3.5Å; Q47-T51 PolarHBondContact O-OG1 2.76Å |
| 48 | E | 86.6 | Confident | 85.9 | Confident | 71 Ų | 71 | 68.5 Ų | 68.5 | 33% | 0.332 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 176.6 | -73.1 | 170.6 | -159.8 | 0 | 0 | 110.7 | R44 V45 T51 N52 | R44-E48 IonicContact CZ-OE1 3.01Å; R44-E48 IonicContact NE-OE1 3.71Å; R44-E48 PolarHBondContact NE-OE1 3.5Å; R44-E48 IonicContact NH2-OE1 2.74Å; R44-E48 PolarHBondContact NH2-OE1 3.3Å; R44-E48 WeakPolarHBondContact O-CG 3.44Å; R44-E48 PolarHBondContact O-N 3.18Å; V45-E48 PolarHBondContact O-N 3.4Å; E48-T51 PolarHBondContact O-N 2.88Å; E48-N52 WeakPolarHBondContact O-CB 3.28Å; E48-N52 PolarHBondContact O-N 3.36Å; E48-N52 PolarHBondContact O-ND2 3.39Å |
| 49 | V | 87.4 | Confident | 85.7 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.024 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 177.5 | 176 | 0 | 0 | 0 | 0 | 112 | A13 L16 V31 V45 A46 Q47 T51 N52 L53 | A13-V49 HydrophobicContact CB-CB 4.32Å; A13-V49 HydrophobicContact CB-CG1 3.96Å; A13-V49 HydrophobicContact CB-CG2 3.75Å; L16-V49 HydrophobicContact CD1-CG1 3.99Å; V31-V49 HydrophobicContact CG1-CB 4.33Å; V31-V49 HydrophobicContact CG1-CG1 4.25Å; V45-V49 HydrophobicContact CG1-CG2 4.38Å; V45-V49 VanDerWaalsContact O-CG2 3.29Å; V45-V49 WeakPolarHBondContact O-CG2 3.48Å; V45-V49 PolarHBondContact O-N 2.89Å; A46-V49 PolarHBondContact O-N 3.42Å; Q47-V49 PolarHBondContact O-N 3.22Å; V49-T51 VanDerWaalsContact C-N 3.32Å; V49-T51 PolarHBondContact O-N 2.93Å; V49-N52 PolarHBondContact O-N 2.75Å; V49-L53 WeakPolarHBondContact O-CB 3.47Å; V49-L53 PolarHBondContact O-N 3.21Å |
| 50 | L | 90.3 | Very high | 85.6 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 6% | 0.063 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.4 | -32.2 | -179.6 | -67.9 | 172.3 | 0 | 0 | 0 | 112.2 | L28 V31 V32 M35 A46 Q47 K54 Y78 | L28-L50 HydrophobicContact CD1-CD2 3.93Å; V31-L50 HydrophobicContact CG1-CD1 4.4Å; V31-L50 HydrophobicContact CG1-CD2 4.09Å; V31-L50 HydrophobicContact CG1-CG 3.95Å; V32-L50 HydrophobicContact CG2-CD1 4.2Å; V32-L50 HydrophobicContact CG2-CD2 3.79Å; M35-L50 HydrophobicContact CB-CD1 3.83Å; M35-L50 HydrophobicContact CG-CD1 4.01Å; A46-L50 WeakPolarHBondContact O-CB 3.12Å; A46-L50 VanDerWaalsContact O-CG 3.24Å; A46-L50 WeakPolarHBondContact O-CG 3.39Å; A46-L50 PolarHBondContact O-N 3.29Å; Q47-L50 PolarHBondContact O-N 2.86Å; L50-K54 VanDerWaalsContact O-CB 3.31Å; L50-K54 WeakPolarHBondContact O-CB 3.46Å; L50-K54 PolarHBondContact O-N 3.17Å; L50-K54 VanDerWaalsContact O-N 3.07Å; L50-Y78 HydrophobicContact CB-CE2 3.78Å; L50-Y78 HydrophobicContact CD2-CD1 4.17Å; L50-Y78 HydrophobicContact CD2-CD2 4.35Å; L50-Y78 HydrophobicContact CD2-CE1 3.76Å; L50-Y78 HydrophobicContact CD2-CE2 3.97Å; L50-Y78 HydrophobicContact CD2-CG 4.44Å; L50-Y78 HydrophobicContact CG-CE2 4.38Å; L50-Y78 WeakPolarHBondContact O-CE2 3.01Å; L50-Y78 PolarHBondContact O-OH 3.18Å |
| 51 | T | 87.9 | Confident | 85.5 | Confident | 63 Ų | 63 | 62 Ų | 62 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69 | -49.4 | 175.8 | -51.3 | 0 | 0 | 0 | 0 | 110 | Q47 E48 V49 L53 K54 D55 | Q47-T51 WeakPolarHBondContact O-CB 3.4Å; Q47-T51 PolarHBondContact O-N 3.5Å; Q47-T51 PolarHBondContact O-OG1 2.76Å; E48-T51 PolarHBondContact O-N 2.88Å; V49-T51 VanDerWaalsContact C-N 3.32Å; V49-T51 PolarHBondContact O-N 2.93Å; T51-L53 VanDerWaalsContact C-N 3.33Å; T51-L53 PolarHBondContact O-N 2.98Å; T51-K54 PolarHBondContact O-N 3.45Å; T51-K54 VanDerWaalsContact O-N 3.07Å; T51-D55 PolarHBondContact O-N 3.17Å |
| 52 | N | 86.6 | Confident | 85.7 | Confident | 92 Ų | 92 | 57.3 Ų | 57.3 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 178.3 | -69.3 | -19.5 | 0 | 0 | 0 | 112.7 | E48 V49 H56 | E48-N52 WeakPolarHBondContact O-CB 3.28Å; E48-N52 PolarHBondContact O-N 3.36Å; E48-N52 PolarHBondContact O-ND2 3.39Å; V49-N52 PolarHBondContact O-N 2.75Å; N52-H56 PolarHBondContact O-N 3.28Å |
| 53 | L | 87.3 | Confident | 86.1 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65 | -38.9 | 175.2 | 177.3 | 67.3 | 0 | 0 | 0 | 111.8 | L17 L28 V49 T51 H56 A59 Y78 | L17-L53 HydrophobicContact CD2-CB 4.24Å; L17-L53 HydrophobicContact CD2-CD1 3.77Å; L17-L53 HydrophobicContact CG-CD1 4.46Å; L28-L53 HydrophobicContact CD1-CD2 3.92Å; V49-L53 WeakPolarHBondContact O-CB 3.47Å; V49-L53 PolarHBondContact O-N 3.21Å; T51-L53 VanDerWaalsContact C-N 3.33Å; T51-L53 PolarHBondContact O-N 2.98Å; L53-H56 PolarHBondContact O-N 3.46Å; L53-A59 WeakPolarHBondContact O-CB 3.49Å; L53-Y78 WeakPolarHBondContact CB-OH 3.37Å; L53-Y78 HydrophobicContact CD2-CE1 3.94Å |
| 54 | K | 87.3 | Confident | 86.1 | Confident | 72 Ų | 72 | 51.5 Ų | 51.5 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.3 | -37.1 | 179.3 | -179.8 | -176.8 | 172 | -168.4 | 0 | 112.4 | L50 T51 H56 Y78 I82 | L50-K54 VanDerWaalsContact O-CB 3.31Å; L50-K54 WeakPolarHBondContact O-CB 3.46Å; L50-K54 PolarHBondContact O-N 3.17Å; L50-K54 VanDerWaalsContact O-N 3.07Å; T51-K54 PolarHBondContact O-N 3.45Å; T51-K54 VanDerWaalsContact O-N 3.07Å; K54-H56 VanDerWaalsContact C-N 3.29Å; K54-Y78 HydrophobicContact CB-CE2 4.27Å; K54-Y78 PolarHBondContact N-OH 3.16Å; K54-I82 HydrophobicContact CB-CG1 4.3Å; K54-I82 HydrophobicContact CG-CG1 4.19Å |
| 55 | D | 82.9 | Confident | 86.2 | Confident | 112 Ų | 112 | 48.3 Ų | 48.3 | 60% | 0.599 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -80.7 | -12 | -178.1 | -65.2 | -18.3 | 0 | 0 | 0 | 112.8 | T51 | T51-D55 PolarHBondContact O-N 3.17Å |
| 56 | H | 85 | Confident | 86.5 | Confident | 57 Ų | 57 | 46.8 Ų | 46.8 | 26% | 0.264 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -64.5 | 133.7 | 179.5 | -170.8 | -80.7 | 0 | 0 | 0 | 111.6 | L17 F19 N52 L53 K54 D58 A59 | L17-H56 HydrophobicContact CD2-CB 3.9Å; F19-H56 AromaticContact CD2-CE1 3.53Å; F19-H56 AromaticContact CD2-ND1 3.99Å; F19-H56 AromaticContact CE2-CD2 3.88Å; F19-H56 AromaticContact CE2-CE1 3.07Å; F19-H56 WeakPolarHBondContact CE2-CE1 3.41Å; F19-H56 AromaticContact CE2-CG 3.63Å; F19-H56 AromaticContact CE2-ND1 3.09Å; F19-H56 WeakPolarHBondContact CE2-ND1 3.3Å; F19-H56 AromaticContact CE2-NE2 3.57Å; F19-H56 AromaticContact CZ-CE1 3.66Å; F19-H56 AromaticContact CZ-CG 3.88Å; F19-H56 AromaticContact CZ-ND1 3.23Å; F19-H56 WeakPolarHBondContact CZ-ND1 3.27Å; N52-H56 PolarHBondContact O-N 3.28Å; L53-H56 PolarHBondContact O-N 3.46Å; K54-H56 VanDerWaalsContact C-N 3.29Å; H56-D58 IonicContact CE1-OD2 2.74Å; H56-D58 PolarHBondContact ND1-N 2.87Å; H56-D58 VanDerWaalsContact ND1-N 3.12Å; H56-D58 PolarHBondContact O-N 2.97Å; H56-D58 VanDerWaalsContact O-N 3.11Å; H56-A59 HydrophobicContact CB-CB 4.27Å; H56-A59 WeakPolarHBondContact O-CB 3.39Å; H56-A59 PolarHBondContact O-N 3.37Å; H56-A59 VanDerWaalsContact O-N 3.11Å |
| 57 | P | 81.1 | Confident | 86.7 | Confident | 54 Ų | 54 | 46.9 Ų | 46.9 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -32.7 | -173.8 | 20.5 | -34.4 | 0 | 0 | 0 | 115.2 | W60 R90 | P57-W60 VanDerWaalsContact O-CD1 3.29Å; P57-W60 PolarHBondContact O-NE1 3.12Å; P57-R90 PolarHBondContact O-NH1 2.89Å; P57-R90 VanDerWaalsContact O-NH1 3.09Å |
| 58 | D | 84.8 | Confident | 86.6 | Confident | 75 Ų | 75 | 47.8 Ų | 47.8 | 40% | 0.401 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 3.9 | -176.6 | -56.3 | -42 | 0 | 0 | 0 | 113.7 | F19 H56 W60 T61 | F19-D58 HydrophobicContact CD1-CB 3.9Å; F19-D58 HydrophobicContact CE1-CB 3.72Å; F19-D58 VanDerWaalsContact CE1-O 3.28Å; F19-D58 WeakPolarHBondContact CE1-O 3.43Å; F19-D58 HydrophobicContact CG-CB 4.39Å; F19-D58 HydrophobicContact CZ-CB 4.07Å; H56-D58 IonicContact CE1-OD2 2.74Å; H56-D58 PolarHBondContact ND1-N 2.87Å; H56-D58 VanDerWaalsContact ND1-N 3.12Å; H56-D58 PolarHBondContact O-N 2.97Å; H56-D58 VanDerWaalsContact O-N 3.11Å; D58-W60 PolarHBondContact O-N 3.42Å; D58-W60 VanDerWaalsContact O-N 3.08Å; D58-T61 HydrophobicContact CB-CG2 4.48Å; D58-T61 WeakPolarHBondContact O-CG2 3.44Å; D58-T61 PolarHBondContact O-N 3.38Å; D58-T61 PolarHBondContact O-OG1 3.27Å |
| 59 | A | 85.3 | Confident | 86.8 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -56.3 | -33.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L53 H56 T61 R62 I82 | L53-A59 WeakPolarHBondContact O-CB 3.49Å; H56-A59 HydrophobicContact CB-CB 4.27Å; H56-A59 WeakPolarHBondContact O-CB 3.39Å; H56-A59 PolarHBondContact O-N 3.37Å; H56-A59 VanDerWaalsContact O-N 3.11Å; A59-T61 PolarHBondContact O-N 2.93Å; A59-R62 PolarHBondContact O-N 3.47Å; A59-I82 HydrophobicContact CB-CD1 4.45Å; A59-I82 HydrophobicContact CB-CG2 3.65Å |
| 60 | W | 84 | Confident | 87 | Confident | 45 Ų | 45 | 49.5 Ų | 49.5 | 17% | 0.17 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -64.4 | -25.1 | 179.9 | 70.7 | -85.9 | 0 | 0 | 0 | 113.5 | P57 D58 R62 V63 I82 V86 L94 I102 | P57-W60 VanDerWaalsContact O-CD1 3.29Å; P57-W60 PolarHBondContact O-NE1 3.12Å; D58-W60 PolarHBondContact O-N 3.42Å; D58-W60 VanDerWaalsContact O-N 3.08Å; W60-R62 PolarHBondContact O-N 3.16Å; W60-R62 VanDerWaalsContact O-N 3.08Å; W60-V63 WeakPolarHBondContact O-CB 3.48Å; W60-V63 PolarHBondContact O-N 2.96Å; W60-V63 VanDerWaalsContact O-N 3.13Å; W60-I82 HydrophobicContact CB-CG2 4.31Å; W60-V86 HydrophobicContact CB-CB 4.1Å; W60-V86 HydrophobicContact CB-CG1 4.24Å; W60-V86 HydrophobicContact CB-CG2 3.52Å; W60-V86 HydrophobicContact CD2-CG1 4.47Å; W60-V86 HydrophobicContact CG-CB 4.37Å; W60-V86 HydrophobicContact CG-CG1 4.03Å; W60-V86 HydrophobicContact CG-CG2 3.79Å; W60-L94 HydrophobicContact CH2-CD2 4.33Å; W60-L94 HydrophobicContact CZ2-CD2 3.84Å; W60-I102 HydrophobicContact CE3-CD1 4.48Å |
| 61 | T | 85.7 | Confident | 86.9 | Confident | 63 Ų | 63 | 57 Ų | 57 | 39% | 0.387 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -68.7 | -6.9 | 178 | 75.1 | 0 | 0 | 0 | 0 | 112.8 | D58 A59 | D58-T61 HydrophobicContact CB-CG2 4.48Å; D58-T61 WeakPolarHBondContact O-CG2 3.44Å; D58-T61 PolarHBondContact O-N 3.38Å; D58-T61 PolarHBondContact O-OG1 3.27Å; A59-T61 PolarHBondContact O-N 2.93Å |
| 62 | R | 86.9 | Confident | 86.9 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 6% | 0.06 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -105.6 | -8.9 | 177.5 | -61.9 | -177.4 | 168.2 | -140.8 | -24.8 | 113 | L16 D18 F19 Q21 L23 A59 W60 D64 T65 I66 | L16-R62 PolarHBondContact O-NH1 2.9Å; D18-R62 PolarHBondContact O-NH2 3.22Å; F19-R62 HydrophobicContact CE1-CG 4.13Å; Q21-R62 PolarHBondContact O-NH2 3.13Å; L23-R62 VanDerWaalsContact CD1-NH1 3.32Å; L23-R62 HydrophobicContact CD2-CB 4.04Å; A59-R62 PolarHBondContact O-N 3.47Å; W60-R62 PolarHBondContact O-N 3.16Å; W60-R62 VanDerWaalsContact O-N 3.08Å; R62-D64 PolarHBondContact O-N 3.3Å; R62-T65 WeakPolarHBondContact O-CB 3.46Å; R62-T65 PolarHBondContact O-N 3.24Å; R62-I66 HydrophobicContact CB-CD1 4.32Å; R62-I66 VanDerWaalsContact O-CG1 3.26Å; R62-I66 WeakPolarHBondContact O-CG1 3.49Å; R62-I66 PolarHBondContact O-N 3.36Å |
| 63 | V | 88.8 | Confident | 86.9 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | -171.9 | 165.7 | 0 | 0 | 0 | 0 | 111.9 | W60 T65 I66 L67 A79 I82 L83 | W60-V63 WeakPolarHBondContact O-CB 3.48Å; W60-V63 PolarHBondContact O-N 2.96Å; W60-V63 VanDerWaalsContact O-N 3.13Å; V63-T65 VanDerWaalsContact C-N 3.33Å; V63-T65 PolarHBondContact O-N 2.91Å; V63-I66 PolarHBondContact O-N 3.03Å; V63-L67 HydrophobicContact CG1-CD1 3.67Å; V63-L67 HydrophobicContact CG1-CG 4.18Å; V63-L67 WeakPolarHBondContact O-CB 3.32Å; V63-L67 VanDerWaalsContact O-CG 3.25Å; V63-L67 WeakPolarHBondContact O-CG 3.45Å; V63-L67 PolarHBondContact O-N 3.01Å; V63-A79 HydrophobicContact CG1-CB 4.29Å; V63-I82 HydrophobicContact CG2-CB 3.88Å; V63-I82 HydrophobicContact CG2-CG2 3.82Å; V63-L83 HydrophobicContact CG1-CB 4.08Å; V63-L83 HydrophobicContact CG1-CD1 4.45Å; V63-L83 HydrophobicContact CG1-CD2 4.22Å; V63-L83 HydrophobicContact CG1-CG 4.48Å |
| 64 | D | 85.8 | Confident | 87 | Confident | 77 Ų | 77 | 56.8 Ų | 56.8 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.9 | -46.9 | 176.5 | 63.2 | -29.9 | 0 | 0 | 0 | 111.6 | R62 I66 L67 E68 | R62-D64 PolarHBondContact O-N 3.3Å; D64-I66 PolarHBondContact O-N 3.44Å; D64-L67 PolarHBondContact O-N 2.9Å; D64-E68 VanDerWaalsContact O-CB 3.29Å; D64-E68 WeakPolarHBondContact O-CB 3.46Å; D64-E68 PolarHBondContact O-N 3.46Å |
| 65 | T | 87.2 | Confident | 87.3 | Confident | 44 Ų | 44 | 53.4 Ų | 53.4 | 27% | 0.27 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 178 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | I25 R62 V63 F69 | I25-T65 HydrophobicContact CD1-CG2 4.3Å; R62-T65 WeakPolarHBondContact O-CB 3.46Å; R62-T65 PolarHBondContact O-N 3.24Å; V63-T65 VanDerWaalsContact C-N 3.33Å; V63-T65 PolarHBondContact O-N 2.91Å; T65-F69 HydrophobicContact CG2-CD2 3.69Å; T65-F69 HydrophobicContact CG2-CE2 4.04Å; T65-F69 VanDerWaalsContact O-CD2 3.25Å; T65-F69 WeakPolarHBondContact O-CD2 3.36Å; T65-F69 PolarHBondContact O-N 2.98Å |
| 66 | I | 91.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.9 | -46.2 | 177.8 | -62.4 | 161.6 | 0 | 0 | 0 | 110.7 | L23 L28 R62 V63 D64 E68 S70 T75 A79 | L23-I66 HydrophobicContact CD2-CD1 3.81Å; L23-I66 HydrophobicContact CD2-CG1 3.42Å; L23-I66 VanDerWaalsContact CD2-CG1 3.42Å; L28-I66 HydrophobicContact CD2-CD1 3.71Å; L28-I66 HydrophobicContact CD2-CG1 3.83Å; L28-I66 HydrophobicContact CD2-CG2 4.13Å; R62-I66 HydrophobicContact CB-CD1 4.32Å; R62-I66 VanDerWaalsContact O-CG1 3.26Å; R62-I66 WeakPolarHBondContact O-CG1 3.49Å; R62-I66 PolarHBondContact O-N 3.36Å; V63-I66 PolarHBondContact O-N 3.03Å; D64-I66 PolarHBondContact O-N 3.44Å; I66-E68 VanDerWaalsContact C-N 3.32Å; I66-E68 PolarHBondContact O-N 3.46Å; I66-S70 WeakPolarHBondContact O-CB 3.48Å; I66-S70 PolarHBondContact O-N 3.08Å; I66-T75 HydrophobicContact CG2-CG2 3.69Å; I66-A79 HydrophobicContact CB-CB 3.89Å; I66-A79 HydrophobicContact CD1-CB 4.21Å; I66-A79 HydrophobicContact CG2-CB 3.63Å |
| 67 | L | 89.4 | Confident | 88 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.7 | -32.1 | -178.6 | -68.3 | 175.9 | 0 | 0 | 0 | 112.7 | V63 D64 K76 A79 L80 Y105 L109 Y126 | V63-L67 HydrophobicContact CG1-CD1 3.67Å; V63-L67 HydrophobicContact CG1-CG 4.18Å; V63-L67 WeakPolarHBondContact O-CB 3.32Å; V63-L67 VanDerWaalsContact O-CG 3.25Å; V63-L67 WeakPolarHBondContact O-CG 3.45Å; V63-L67 PolarHBondContact O-N 3.01Å; D64-L67 PolarHBondContact O-N 2.9Å; L67-K76 HydrophobicContact CD2-CB 3.85Å; L67-K76 HydrophobicContact CD2-CG 4.19Å; L67-A79 HydrophobicContact CD2-CB 4.02Å; L67-A79 HydrophobicContact CG-CB 4.16Å; L67-L80 HydrophobicContact CD1-CD2 3.9Å; L67-L80 HydrophobicContact CD2-CD2 4.13Å; L67-L80 HydrophobicContact CD2-CG 4.26Å; L67-Y105 WeakPolarHBondContact CB-OH 3.3Å; L67-Y105 HydrophobicContact CD1-CE1 3.78Å; L67-L109 HydrophobicContact CD1-CD2 4.36Å; L67-Y126 HydrophobicContact CD2-CE2 4.17Å |
| 68 | E | 87.7 | Confident | 88.5 | Confident | 128 Ų | 128 | 48.2 Ų | 48.2 | 60% | 0.598 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -75.8 | -45.8 | 178.4 | -173.8 | 168.6 | -166.3 | 0 | 0 | 112.7 | D64 I66 | D64-E68 VanDerWaalsContact O-CB 3.29Å; D64-E68 WeakPolarHBondContact O-CB 3.46Å; D64-E68 PolarHBondContact O-N 3.46Å; I66-E68 VanDerWaalsContact C-N 3.32Å; I66-E68 PolarHBondContact O-N 3.46Å |
| 69 | F | 90.9 | Very high | 88.9 | Confident | 112 Ų | 112 | 44.7 Ų | 44.7 | 49% | 0.491 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -103.3 | -26.5 | -168.5 | -63.1 | -65.2 | 0 | 0 | 0 | 115.4 | I25 T65 Q71 | I25-F69 HydrophobicContact CD1-CB 3.41Å; I25-F69 VanDerWaalsContact CD1-CB 3.41Å; I25-F69 HydrophobicContact CD1-CD2 4.06Å; I25-F69 HydrophobicContact CD1-CG 4.02Å; I25-F69 HydrophobicContact CG1-CB 4.36Å; T65-F69 HydrophobicContact CG2-CD2 3.69Å; T65-F69 HydrophobicContact CG2-CE2 4.04Å; T65-F69 VanDerWaalsContact O-CD2 3.25Å; T65-F69 WeakPolarHBondContact O-CD2 3.36Å; T65-F69 PolarHBondContact O-N 2.98Å; F69-Q71 PolarHBondContact O-NE2 3.14Å |
| 70 | S | 91.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -66.9 | 138.8 | 178.6 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | D29 I66 N72 T75 K76 | D29-S70 PolarHBondContact OD1-OG 3.22Å; D29-S70 PolarHBondContact OD2-OG 2.65Å; I66-S70 WeakPolarHBondContact O-CB 3.48Å; I66-S70 PolarHBondContact O-N 3.08Å; S70-N72 PolarHBondContact OG-N 3.32Å; S70-N72 VanDerWaalsContact OG-N 3.16Å; S70-N72 PolarHBondContact OG-O 2.74Å; S70-T75 WeakPolarHBondContact OG-CB 3.37Å; S70-K76 WeakPolarHBondContact O-CE 3.31Å; S70-K76 PolarHBondContact O-NZ 3.04Å | ||
| 71 | Q | 87 | Confident | 89.7 | Confident | 168 Ų | 168 | 45 Ų | 45 | 79% | 0.785 | 22% | 0.216 | S | C | * | . | trans | -96.5 | -10.4 | 173.1 | -58.3 | -57 | -46.4 | 0 | 0 | 111.9 | F69 | F69-Q71 PolarHBondContact O-NE2 3.14Š| ||
| 72 | N | 87.9 | Confident | 90.1 | Very high | 29 Ų | 29 | 42 Ų | 42 | 16% | 0.155 | 20% | 0.198 | C | C | . | . | trans | -91.6 | 121.4 | -176.9 | -171.7 | -12 | 0 | 0 | 0 | 111.5 | N33 S70 K74 T75 K76 | N33-N72 PolarHBondContact ND2-ND2 2.94Å; N33-N72 PolarHBondContact OD1-ND2 3.3Å; S70-N72 PolarHBondContact OG-N 3.32Å; S70-N72 VanDerWaalsContact OG-N 3.16Å; S70-N72 PolarHBondContact OG-O 2.74Å; N72-K74 VanDerWaalsContact C-N 3.25Å; N72-K74 PolarHBondContact O-N 2.97Å; N72-K74 WeakPolarHBondContact OD1-CB 3.32Å; N72-K74 PolarHBondContact OD1-N 2.97Å; N72-T75 PolarHBondContact O-N 3.01Å; N72-T75 VanDerWaalsContact O-N 3.15Å; N72-K76 PolarHBondContact O-N 2.89Å; N72-K76 VanDerWaalsContact O-N 3.08Å | ||
| 73 | M | 87.2 | Confident | 90.4 | Very high | 63 Ų | 63 | 41.6 Ų | 41.6 | 31% | 0.31 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.5 | -34.1 | 179.6 | -164.3 | 60.2 | 79.3 | 0 | 0 | 112.9 | T75 K76 Y77 E123 Y126 | M73-T75 VanDerWaalsContact C-N 3.32Å; M73-T75 PolarHBondContact O-N 3.27Å; M73-K76 PolarHBondContact O-N 3.05Å; M73-Y77 WeakPolarHBondContact O-CB 3.14Å; M73-Y77 PolarHBondContact O-N 2.96Å; M73-E123 HydrophobicContact CE-CB 3.8Å; M73-E123 HydrophobicContact CE-CG 3.46Å; M73-E123 VanDerWaalsContact CE-CG 3.46Å; M73-E123 WeakPolarHBondContact CE-OE1 3.2Å; M73-Y126 HydrophobicContact CE-CD1 4.5Å; M73-Y126 HydrophobicContact CE-CG 4.48Å; M73-Y126 WeakPolarHBondContact SD-CB 3.44Å; M73-Y126 HydrophobicContact SD-CD1 4.01Å; M73-Y126 HydrophobicContact SD-CD2 3.9Å; M73-Y126 HydrophobicContact SD-CG 3.53Å; M73-Y126 VanDerWaalsContact SD-CG 3.53Å |
| 74 | K | 89.9 | Confident | 90.6 | Very high | 63 Ų | 63 | 42.7 Ų | 42.7 | 27% | 0.274 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.8 | -38.7 | 178.2 | -67.6 | 168.9 | 169.7 | -176.7 | 0 | 111 | V32 Y36 H37 N72 Y77 Y78 | V32-K74 HydrophobicContact CG1-CB 3.61Å; Y36-K74 HydrophobicContact CD1-CD 4.14Å; Y36-K74 HydrophobicContact CD2-CB 4.03Å; Y36-K74 HydrophobicContact CD2-CD 3.6Å; Y36-K74 HydrophobicContact CD2-CG 4.09Å; Y36-K74 HydrophobicContact CE2-CB 3.74Å; Y36-K74 HydrophobicContact CE2-CD 4.05Å; Y36-K74 HydrophobicContact CE2-CG 4.01Å; Y36-K74 HydrophobicContact CG-CD 3.66Å; Y36-K74 HydrophobicContact CG-CG 4.45Å; H37-K74 PolarHBondContact CE1-NZ 3.32Å; H37-K74 PolarHBondContact NE2-NZ 3.27Å; N72-K74 VanDerWaalsContact C-N 3.25Å; N72-K74 PolarHBondContact O-N 2.97Å; N72-K74 WeakPolarHBondContact OD1-CB 3.32Å; N72-K74 PolarHBondContact OD1-N 2.97Å; K74-Y77 PolarHBondContact O-N 3.43Å; K74-Y78 PolarHBondContact O-N 3.42Å |
| 75 | T | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.5 | -41 | 176.7 | -49.5 | 0 | 0 | 0 | 0 | 111.7 | L28 D29 V32 I66 S70 N72 M73 Y77 Y78 A79 | L28-T75 HydrophobicContact CD2-CG2 3.64Å; L28-T75 HydrophobicContact CG-CG2 3.75Å; D29-T75 WeakPolarHBondContact OD1-CB 3.49Å; D29-T75 VanDerWaalsContact OD1-CG2 3.24Å; D29-T75 WeakPolarHBondContact OD1-CG2 3.25Å; D29-T75 PolarHBondContact OD1-OG1 3.47Å; V32-T75 HydrophobicContact CG2-CG2 4.28Å; I66-T75 HydrophobicContact CG2-CG2 3.69Å; S70-T75 WeakPolarHBondContact OG-CB 3.37Å; N72-T75 PolarHBondContact O-N 3.01Å; N72-T75 VanDerWaalsContact O-N 3.15Å; M73-T75 VanDerWaalsContact C-N 3.32Å; M73-T75 PolarHBondContact O-N 3.27Å; T75-Y77 VanDerWaalsContact C-N 3.31Å; T75-Y77 PolarHBondContact O-N 3.41Å; T75-Y78 WeakPolarHBondContact O-CB 3.22Å; T75-Y78 PolarHBondContact O-N 3.11Å; T75-A79 PolarHBondContact O-N 3.28Å |
| 76 | K | 91.6 | Very high | 91.1 | Very high | 38 Ų | 38 | 38.9 Ų | 38.9 | 17% | 0.165 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.3 | -42.9 | 172.5 | -66.3 | -170.2 | -177.8 | -171.6 | 0 | 111.7 | L67 S70 N72 M73 Y78 A79 L80 Y126 | L67-K76 HydrophobicContact CD2-CB 3.85Å; L67-K76 HydrophobicContact CD2-CG 4.19Å; S70-K76 WeakPolarHBondContact O-CE 3.31Å; S70-K76 PolarHBondContact O-NZ 3.04Å; N72-K76 PolarHBondContact O-N 2.89Å; N72-K76 VanDerWaalsContact O-N 3.08Å; M73-K76 PolarHBondContact O-N 3.05Å; K76-Y78 VanDerWaalsContact C-N 3.35Å; K76-Y78 PolarHBondContact O-N 3.11Å; K76-A79 WeakPolarHBondContact O-CB 3.48Å; K76-A79 PolarHBondContact O-N 2.72Å; K76-L80 WeakPolarHBondContact O-CG 3.25Å; K76-L80 PolarHBondContact O-N 2.58Å; K76-Y126 HydrophobicContact CB-CD2 4.23Å; K76-Y126 HydrophobicContact CB-CE2 3.75Å; K76-Y126 HydrophobicContact CD-CE2 4.4Å |
| 77 | Y | 91.1 | Very high | 91.2 | Very high | 65 Ų | 65 | 38.9 Ų | 38.9 | 26% | 0.255 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.8 | -44 | 175.4 | -169.7 | -84.2 | 0 | 0 | 0 | 111.7 | M73 K74 T75 A79 L80 Q81 V125 K129 | M73-Y77 WeakPolarHBondContact O-CB 3.14Å; M73-Y77 PolarHBondContact O-N 2.96Å; K74-Y77 PolarHBondContact O-N 3.43Å; T75-Y77 VanDerWaalsContact C-N 3.31Å; T75-Y77 PolarHBondContact O-N 3.41Å; Y77-A79 PolarHBondContact O-N 3.4Å; Y77-L80 WeakPolarHBondContact O-CB 3.37Å; Y77-L80 PolarHBondContact O-N 2.94Å; Y77-Q81 HydrophobicContact CD1-CG 4.24Å; Y77-Q81 HydrophobicContact CE1-CG 4.13Å; Y77-Q81 PolarHBondContact O-N 3.23Å; Y77-Q81 VanDerWaalsContact O-N 3.07Å; Y77-V125 HydrophobicContact CD2-CG1 4.11Å; Y77-V125 HydrophobicContact CE2-CG1 3.89Å; Y77-K129 HydrophobicContact CD2-CB 3.94Å; Y77-K129 HydrophobicContact CD2-CG 4.02Å; Y77-K129 HydrophobicContact CE2-CB 3.61Å; Y77-K129 HydrophobicContact CE2-CD 3.96Å; Y77-K129 HydrophobicContact CE2-CG 3.71Å |
| 78 | Y | 92.1 | Very high | 91.2 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.8 | -41.7 | 174.1 | 172.8 | -102.7 | 0 | 0 | 0 | 112.2 | L28 L50 L53 K54 K74 T75 K76 L80 Q81 I82 | L28-Y78 HydrophobicContact CD1-CD1 4.49Å; L28-Y78 HydrophobicContact CD1-CE1 4.21Å; L50-Y78 HydrophobicContact CB-CE2 3.78Å; L50-Y78 HydrophobicContact CD2-CD1 4.17Å; L50-Y78 HydrophobicContact CD2-CD2 4.35Å; L50-Y78 HydrophobicContact CD2-CE1 3.76Å; L50-Y78 HydrophobicContact CD2-CE2 3.97Å; L50-Y78 HydrophobicContact CD2-CG 4.44Å; L50-Y78 HydrophobicContact CG-CE2 4.38Å; L50-Y78 WeakPolarHBondContact O-CE2 3.01Å; L50-Y78 PolarHBondContact O-OH 3.18Å; L53-Y78 WeakPolarHBondContact CB-OH 3.37Å; L53-Y78 HydrophobicContact CD2-CE1 3.94Å; K54-Y78 HydrophobicContact CB-CE2 4.27Å; K54-Y78 PolarHBondContact N-OH 3.16Å; K74-Y78 PolarHBondContact O-N 3.42Å; T75-Y78 WeakPolarHBondContact O-CB 3.22Å; T75-Y78 PolarHBondContact O-N 3.11Å; K76-Y78 VanDerWaalsContact C-N 3.35Å; K76-Y78 PolarHBondContact O-N 3.11Å; Y78-L80 VanDerWaalsContact C-N 3.3Å; Y78-L80 PolarHBondContact O-N 2.96Å; Y78-Q81 WeakPolarHBondContact O-CA 3.47Å; Y78-Q81 VanDerWaalsContact O-CB 3.3Å; Y78-Q81 WeakPolarHBondContact O-CB 3.49Å; Y78-Q81 PolarHBondContact O-N 3.17Å; Y78-I82 HydrophobicContact CD1-CD1 4.24Å; Y78-I82 HydrophobicContact CE1-CD1 3.63Å; Y78-I82 HydrophobicContact CE1-CG1 4.3Å; Y78-I82 PolarHBondContact O-N 2.78Å; Y78-I82 VanDerWaalsContact O-N 3.15Å |
| 79 | A | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.7 | -38.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V63 I66 L67 T75 K76 Y77 Q81 I82 L83 | V63-A79 HydrophobicContact CG1-CB 4.29Å; I66-A79 HydrophobicContact CB-CB 3.89Å; I66-A79 HydrophobicContact CD1-CB 4.21Å; I66-A79 HydrophobicContact CG2-CB 3.63Å; L67-A79 HydrophobicContact CD2-CB 4.02Å; L67-A79 HydrophobicContact CG-CB 4.16Å; T75-A79 PolarHBondContact O-N 3.28Å; K76-A79 WeakPolarHBondContact O-CB 3.48Å; K76-A79 PolarHBondContact O-N 2.72Å; Y77-A79 PolarHBondContact O-N 3.4Å; A79-Q81 VanDerWaalsContact C-N 3.28Å; A79-Q81 PolarHBondContact O-N 3.49Å; A79-I82 WeakPolarHBondContact O-CB 3.28Å; A79-I82 PolarHBondContact O-N 3.3Å; A79-L83 PolarHBondContact O-N 3.41Å |
| 80 | L | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.1 | -30.4 | 172.5 | -63.9 | -178.2 | 0 | 0 | 0 | 112.6 | L67 K76 Y77 Y78 L83 E84 Y126 K129 L130 I133 | L67-L80 HydrophobicContact CD1-CD2 3.9Å; L67-L80 HydrophobicContact CD2-CD2 4.13Å; L67-L80 HydrophobicContact CD2-CG 4.26Å; K76-L80 WeakPolarHBondContact O-CG 3.25Å; K76-L80 PolarHBondContact O-N 2.58Å; Y77-L80 WeakPolarHBondContact O-CB 3.37Å; Y77-L80 PolarHBondContact O-N 2.94Å; Y78-L80 VanDerWaalsContact C-N 3.3Å; Y78-L80 PolarHBondContact O-N 2.96Å; L80-L83 HydrophobicContact CD2-CD2 4.43Å; L80-L83 PolarHBondContact O-N 2.99Å; L80-E84 WeakPolarHBondContact O-CB 3.49Å; L80-E84 PolarHBondContact O-N 3.37Å; L80-Y126 HydrophobicContact CD1-CD2 3.68Å; L80-Y126 HydrophobicContact CD1-CE2 3.5Å; L80-Y126 VanDerWaalsContact CD1-CE2 3.5Å; L80-Y126 HydrophobicContact CG-CE2 4.13Å; L80-K129 HydrophobicContact CB-CG 3.81Å; L80-K129 HydrophobicContact CD1-CB 3.89Å; L80-K129 HydrophobicContact CD1-CG 3.68Å; L80-K129 HydrophobicContact CG-CG 4.42Å; L80-L130 HydrophobicContact CD1-CD2 3.76Å; L80-L130 HydrophobicContact CD1-CG 3.82Å; L80-L130 HydrophobicContact CD2-CD2 3.6Å; L80-L130 HydrophobicContact CG-CD2 4.34Å; L80-I133 HydrophobicContact CB-CD1 4.41Å; L80-I133 HydrophobicContact CB-CG1 4.25Å; L80-I133 HydrophobicContact CD2-CG1 4.29Å; L80-I133 WeakPolarHBondContact O-CD1 3.4Å |
| 81 | Q | 92.8 | Very high | 91 | Very high | 53 Ų | 53 | 35.9 Ų | 35.9 | 25% | 0.248 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67 | -36.5 | 172.9 | -64.7 | -179.9 | -23.2 | 0 | 0 | 112.4 | Y77 Y78 A79 A85 | Y77-Q81 HydrophobicContact CD1-CG 4.24Å; Y77-Q81 HydrophobicContact CE1-CG 4.13Å; Y77-Q81 PolarHBondContact O-N 3.23Å; Y77-Q81 VanDerWaalsContact O-N 3.07Å; Y78-Q81 WeakPolarHBondContact O-CA 3.47Å; Y78-Q81 VanDerWaalsContact O-CB 3.3Å; Y78-Q81 WeakPolarHBondContact O-CB 3.49Å; Y78-Q81 PolarHBondContact O-N 3.17Å; A79-Q81 VanDerWaalsContact C-N 3.28Å; A79-Q81 PolarHBondContact O-N 3.49Å; Q81-A85 PolarHBondContact O-N 3.49Å; Q81-A85 VanDerWaalsContact O-N 3.12Å |
| 82 | I | 92.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.3 | -47.1 | 173.2 | -59.4 | 174.9 | 0 | 0 | 0 | 109.5 | K54 A59 W60 V63 Y78 A79 E84 A85 V86 | K54-I82 HydrophobicContact CB-CG1 4.3Å; K54-I82 HydrophobicContact CG-CG1 4.19Å; A59-I82 HydrophobicContact CB-CD1 4.45Å; A59-I82 HydrophobicContact CB-CG2 3.65Å; W60-I82 HydrophobicContact CB-CG2 4.31Å; V63-I82 HydrophobicContact CG2-CB 3.88Å; V63-I82 HydrophobicContact CG2-CG2 3.82Å; Y78-I82 HydrophobicContact CD1-CD1 4.24Å; Y78-I82 HydrophobicContact CE1-CD1 3.63Å; Y78-I82 HydrophobicContact CE1-CG1 4.3Å; Y78-I82 PolarHBondContact O-N 2.78Å; Y78-I82 VanDerWaalsContact O-N 3.15Å; A79-I82 WeakPolarHBondContact O-CB 3.28Å; A79-I82 PolarHBondContact O-N 3.3Å; I82-E84 VanDerWaalsContact C-N 3.33Å; I82-E84 PolarHBondContact O-N 3.1Å; I82-A85 PolarHBondContact O-N 3.16Å; I82-V86 PolarHBondContact O-N 2.97Å |
| 83 | L | 93.8 | Very high | 91.1 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 178.9 | -167.7 | 56.7 | 0 | 0 | 0 | 112 | V63 A79 L80 A85 V86 I87 I102 V106 I133 | V63-L83 HydrophobicContact CG1-CB 4.08Å; V63-L83 HydrophobicContact CG1-CD1 4.45Å; V63-L83 HydrophobicContact CG1-CD2 4.22Å; V63-L83 HydrophobicContact CG1-CG 4.48Å; A79-L83 PolarHBondContact O-N 3.41Å; L80-L83 HydrophobicContact CD2-CD2 4.43Å; L80-L83 PolarHBondContact O-N 2.99Å; L83-A85 VanDerWaalsContact C-N 3.35Å; L83-A85 PolarHBondContact O-N 3.29Å; L83-V86 PolarHBondContact O-N 3.31Å; L83-I87 HydrophobicContact CD1-CD1 4.43Å; L83-I87 HydrophobicContact CG-CD1 3.89Å; L83-I87 WeakPolarHBondContact O-CD1 3.49Å; L83-I87 VanDerWaalsContact O-CG1 3.3Å; L83-I87 WeakPolarHBondContact O-CG1 3.49Å; L83-I87 PolarHBondContact O-N 3.5Å; L83-I102 HydrophobicContact CD1-CD1 4.4Å; L83-I102 HydrophobicContact CD1-CG2 3.94Å; L83-I102 HydrophobicContact CD2-CG2 4.41Å; L83-V106 HydrophobicContact CD2-CG2 3.93Å; L83-I133 HydrophobicContact CD2-CG2 3.98Å; L83-I133 HydrophobicContact CG-CG2 4.28Å |
| 84 | E | 93.9 | Very high | 91.1 | Very high | 27 Ų | 27 | 29.8 Ų | 29.8 | 13% | 0.126 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | 176.1 | -162.5 | -174.4 | 179.3 | 0 | 0 | 112.2 | L80 I82 V86 I87 K88 K129 I133 Q136 | L80-E84 WeakPolarHBondContact O-CB 3.49Å; L80-E84 PolarHBondContact O-N 3.37Å; I82-E84 VanDerWaalsContact C-N 3.33Å; I82-E84 PolarHBondContact O-N 3.1Å; E84-V86 VanDerWaalsContact C-N 3.28Å; E84-V86 PolarHBondContact O-N 3.15Å; E84-I87 PolarHBondContact O-N 2.58Å; E84-K88 HydrophobicContact CG-CD 4.15Å; E84-K88 WeakPolarHBondContact O-CB 3.49Å; E84-K88 WeakPolarHBondContact O-CG 3.47Å; E84-K88 PolarHBondContact O-N 2.65Å; E84-K88 WeakPolarHBondContact OE1-CE 3.16Å; E84-K88 IonicContact OE1-NZ 3.3Å; E84-K88 PolarHBondContact OE1-NZ 3.22Å; E84-K129 IonicContact OE1-NZ 3.89Å; E84-K129 WeakPolarHBondContact OE2-CE 3.28Å; E84-K129 IonicContact OE2-NZ 2.59Å; E84-K129 PolarHBondContact OE2-NZ 2.81Å; E84-I133 HydrophobicContact CB-CD1 3.46Å; E84-I133 VanDerWaalsContact CB-CD1 3.46Å; E84-I133 HydrophobicContact CG-CD1 3.81Å; E84-Q136 HydrophobicContact CG-CG 4.07Å |
| 85 | A | 90.9 | Very high | 91.1 | Very high | 29 Ų | 29 | 29.8 Ų | 29.8 | 24% | 0.24 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.6 | -41 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q81 I82 L83 K88 T89 | Q81-A85 PolarHBondContact O-N 3.49Å; Q81-A85 VanDerWaalsContact O-N 3.12Å; I82-A85 PolarHBondContact O-N 3.16Å; L83-A85 VanDerWaalsContact C-N 3.35Å; L83-A85 PolarHBondContact O-N 3.29Å; A85-K88 PolarHBondContact O-N 3.41Å; A85-T89 WeakPolarHBondContact O-CB 3.41Å; A85-T89 WeakPolarHBondContact O-CG2 3.45Å; A85-T89 PolarHBondContact O-N 3.37Å; A85-T89 PolarHBondContact O-OG1 3.19Å |
| 86 | V | 91.8 | Very high | 90.8 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 7% | 0.073 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.8 | -40.4 | 177.2 | 171.3 | 0 | 0 | 0 | 0 | 112.4 | W60 I82 L83 E84 K88 T89 R90 W91 L94 | W60-V86 HydrophobicContact CB-CB 4.1Å; W60-V86 HydrophobicContact CB-CG1 4.24Å; W60-V86 HydrophobicContact CB-CG2 3.52Å; W60-V86 HydrophobicContact CD2-CG1 4.47Å; W60-V86 HydrophobicContact CG-CB 4.37Å; W60-V86 HydrophobicContact CG-CG1 4.03Å; W60-V86 HydrophobicContact CG-CG2 3.79Å; I82-V86 PolarHBondContact O-N 2.97Å; L83-V86 PolarHBondContact O-N 3.31Å; E84-V86 VanDerWaalsContact C-N 3.28Å; E84-V86 PolarHBondContact O-N 3.15Å; V86-K88 VanDerWaalsContact C-N 3.33Å; V86-K88 PolarHBondContact O-N 3.2Å; V86-T89 PolarHBondContact O-N 2.84Å; V86-R90 HydrophobicContact CG1-CB 4.43Å; V86-R90 CarbonylContact O-C 3.04Å; V86-R90 WeakPolarHBondContact O-CA 3.4Å; V86-R90 PolarHBondContact O-N 2.92Å; V86-W91 PolarHBondContact O-N 3.39Å; V86-W91 VanDerWaalsContact O-N 3.17Å; V86-L94 HydrophobicContact CG1-CD1 3.8Å |
| 87 | I | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 174.7 | -65.7 | 157.9 | 0 | 0 | 0 | 111 | L83 E84 W91 I133 Q136 I137 Q140 | L83-I87 HydrophobicContact CD1-CD1 4.43Å; L83-I87 HydrophobicContact CG-CD1 3.89Å; L83-I87 WeakPolarHBondContact O-CD1 3.49Å; L83-I87 VanDerWaalsContact O-CG1 3.3Å; L83-I87 WeakPolarHBondContact O-CG1 3.49Å; L83-I87 PolarHBondContact O-N 3.5Å; E84-I87 PolarHBondContact O-N 2.58Å; I87-W91 HydrophobicContact CB-CE3 4.14Å; I87-W91 HydrophobicContact CG1-CE3 3.62Å; I87-W91 HydrophobicContact CG1-CZ3 3.74Å; I87-W91 HydrophobicContact CG2-CD2 4.44Å; I87-W91 HydrophobicContact CG2-CE3 4.14Å; I87-W91 WeakPolarHBondContact O-CB 3.44Å; I87-I133 HydrophobicContact CD1-CG2 3.43Å; I87-I133 VanDerWaalsContact CD1-CG2 3.43Å; I87-Q136 HydrophobicContact CG2-CB 3.82Å; I87-I137 HydrophobicContact CD1-CD1 4.12Å; I87-I137 HydrophobicContact CD1-CG1 3.74Å; I87-I137 HydrophobicContact CG1-CG1 4.17Å; I87-I137 HydrophobicContact CG2-CG1 4.03Å; I87-Q140 HydrophobicContact CG2-CG 4.33Å |
| 88 | K | 90.6 | Very high | 90.5 | Very high | 70 Ų | 70 | 38.7 Ų | 38.7 | 30% | 0.304 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68.9 | -39.8 | 179.6 | -77.7 | -179.9 | 167.7 | 169.8 | 0 | 112.7 | E84 A85 V86 E1019 | E84-K88 HydrophobicContact CG-CD 4.15Å; E84-K88 WeakPolarHBondContact O-CB 3.49Å; E84-K88 WeakPolarHBondContact O-CG 3.47Å; E84-K88 PolarHBondContact O-N 2.65Å; E84-K88 WeakPolarHBondContact OE1-CE 3.16Å; E84-K88 IonicContact OE1-NZ 3.3Å; E84-K88 PolarHBondContact OE1-NZ 3.22Å; A85-K88 PolarHBondContact O-N 3.41Å; V86-K88 VanDerWaalsContact C-N 3.33Å; V86-K88 PolarHBondContact O-N 3.2Å; K88-E1019 WeakPolarHBondContact O-CG 3.42Å |
| 89 | T | 87.6 | Confident | 90.4 | Very high | 46 Ų | 46 | 38.1 Ų | 38.1 | 28% | 0.282 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -105.2 | -34.1 | -167.6 | 59.9 | 0 | 0 | 0 | 0 | 114.3 | A85 V86 F1020 | A85-T89 WeakPolarHBondContact O-CB 3.41Å; A85-T89 WeakPolarHBondContact O-CG2 3.45Å; A85-T89 PolarHBondContact O-N 3.37Å; A85-T89 PolarHBondContact O-OG1 3.19Å; V86-T89 PolarHBondContact O-N 2.84Å; T89-F1020 WeakPolarHBondContact O-CD2 3.19Å; T89-F1020 PolarHBondContact O-N 3.4Å |
| 90 | R | 88.4 | Confident | 90.3 | Very high | 65 Ų | 65 | 41.1 Ų | 41.1 | 25% | 0.245 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 4 | -167.1 | -66 | -177.8 | -171.1 | -170.8 | 4.4 | 114.7 | P57 V86 K92 I93 L94 F1020 | P57-R90 PolarHBondContact O-NH1 2.89Å; P57-R90 VanDerWaalsContact O-NH1 3.09Å; V86-R90 HydrophobicContact CG1-CB 4.43Å; V86-R90 CarbonylContact O-C 3.04Å; V86-R90 WeakPolarHBondContact O-CA 3.4Å; V86-R90 PolarHBondContact O-N 2.92Å; R90-K92 PolarHBondContact O-N 3.46Å; R90-K92 VanDerWaalsContact O-N 3.11Å; R90-I93 HydrophobicContact CB-CD1 3.99Å; R90-I93 HydrophobicContact CB-CG1 3.86Å; R90-I93 HydrophobicContact CG-CD1 3.99Å; R90-I93 HydrophobicContact CG-CG1 4.39Å; R90-I93 WeakPolarHBondContact O-CG1 3.31Å; R90-I93 PolarHBondContact O-N 2.89Å; R90-L94 PolarHBondContact O-N 2.93Å; R90-F1020 HydrophobicContact CG-CD2 3.99Å; R90-F1020 HydrophobicContact CG-CE2 4.48Å |
| 91 | W | 90.8 | Very high | 90.1 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -37.7 | -175.1 | -173.4 | -94.7 | 0 | 0 | 0 | 114.3 | V86 I87 I93 L94 C99 I102 I137 Q140 E141 | V86-W91 PolarHBondContact O-N 3.39Å; V86-W91 VanDerWaalsContact O-N 3.17Å; I87-W91 HydrophobicContact CB-CE3 4.14Å; I87-W91 HydrophobicContact CG1-CE3 3.62Å; I87-W91 HydrophobicContact CG1-CZ3 3.74Å; I87-W91 HydrophobicContact CG2-CD2 4.44Å; I87-W91 HydrophobicContact CG2-CE3 4.14Å; I87-W91 WeakPolarHBondContact O-CB 3.44Å; W91-I93 PolarHBondContact O-N 3.39Å; W91-L94 HydrophobicContact CE3-CD1 4.4Å; W91-L94 PolarHBondContact O-N 3.22Å; W91-C99 HydrophobicContact CH2-CB 3.95Å; W91-C99 WeakPolarHBondContact CH2-O 3.28Å; W91-C99 HydrophobicContact CZ2-CB 3.62Å; W91-I102 HydrophobicContact CH2-CB 4.24Å; W91-I102 HydrophobicContact CH2-CG2 4.23Å; W91-I102 HydrophobicContact CZ3-CB 4.13Å; W91-I102 HydrophobicContact CZ3-CD1 4.12Å; W91-I102 HydrophobicContact CZ3-CG2 3.91Å; W91-I137 HydrophobicContact CH2-CD1 4.26Å; W91-I137 HydrophobicContact CH2-CG1 4.05Å; W91-I137 HydrophobicContact CH2-CG2 4.04Å; W91-I137 HydrophobicContact CZ2-CG2 3.82Å; W91-I137 HydrophobicContact CZ3-CG1 4.26Å; W91-Q140 HydrophobicContact CB-CB 4.48Å; W91-Q140 HydrophobicContact CB-CG 4.27Å; W91-Q140 HydrophobicContact CG-CB 4.03Å; W91-Q140 HydrophobicContact CG-CG 4.3Å; W91-E141 HydrophobicContact CZ2-CG 4.26Å; W91-E141 WeakPolarHBondContact CZ2-OE1 3.5Å; W91-E141 PolarHBondContact NE1-OE1 3.49Å |
| 92 | K | 87.6 | Confident | 90 | Very high | 31 Ų | 31 | 41.4 Ų | 41.4 | 14% | 0.135 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -18.5 | -177.5 | -60.9 | 174.3 | 173.5 | 173.5 | 0 | 114.4 | R90 E1019 F1020 A1021 | R90-K92 PolarHBondContact O-N 3.46Å; R90-K92 VanDerWaalsContact O-N 3.11Å; K92-E1019 IonicContact NZ-OE2 2.65Å; K92-F1020 WeakPolarHBondContact CB-O 3.27Å; K92-A1021 WeakPolarHBondContact CB-O 3.35Å |
| 93 | I | 87.9 | Confident | 90 | Very high | 82 Ų | 82 | 42.3 Ų | 42.3 | 42% | 0.421 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -12.1 | 175.3 | 58.6 | 163.8 | 0 | 0 | 0 | 112.8 | R90 W91 F1020 | R90-I93 HydrophobicContact CB-CD1 3.99Å; R90-I93 HydrophobicContact CB-CG1 3.86Å; R90-I93 HydrophobicContact CG-CD1 3.99Å; R90-I93 HydrophobicContact CG-CG1 4.39Å; R90-I93 WeakPolarHBondContact O-CG1 3.31Å; R90-I93 PolarHBondContact O-N 2.89Å; W91-I93 PolarHBondContact O-N 3.39Å; I93-F1020 HydrophobicContact CD1-CB 4.05Å; I93-F1020 HydrophobicContact CD1-CD1 4.39Å; I93-F1020 HydrophobicContact CD1-CG 4.23Å; I93-F1020 HydrophobicContact CG1-CB 4.19Å; I93-F1020 HydrophobicContact CG2-CB 3.85Å |
| 94 | L | 88.3 | Confident | 89.9 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -68.1 | 140.2 | 176.8 | -72.8 | 179 | 0 | 0 | 0 | 110.5 | W60 V86 R90 W91 R96 C99 I102 | W60-L94 HydrophobicContact CH2-CD2 4.33Å; W60-L94 HydrophobicContact CZ2-CD2 3.84Å; V86-L94 HydrophobicContact CG1-CD1 3.8Å; R90-L94 PolarHBondContact O-N 2.93Å; W91-L94 HydrophobicContact CE3-CD1 4.4Å; W91-L94 PolarHBondContact O-N 3.22Å; L94-R96 PolarHBondContact O-N 2.95Å; L94-C99 VanDerWaalsContact CB-SG 3.6Å; L94-I102 HydrophobicContact CD1-CD1 4.13Å |
| 95 | P | 89.1 | Confident | 89.8 | Confident | 64 Ų | 64 | 51.8 Ų | 51.8 | 42% | 0.416 | 26% | 0.259 | S | S | . | . | trans | -51.3 | 132 | 169.2 | -27.9 | 34.3 | 0 | 0 | 0 | 111.6 | N97 Q98 C99 | P95-N97 WeakPolarHBondContact CB-OD1 3.48Å; P95-N97 PolarHBondContact O-N 2.96Å; P95-N97 VanDerWaalsContact O-N 3.09Å; P95-Q98 HydrophobicContact CB-CG 4.22Å; P95-Q98 WeakPolarHBondContact O-CA 3.04Å; P95-Q98 WeakPolarHBondContact O-CB 3.33Å; P95-Q98 PolarHBondContact O-N 3.25Å; P95-C99 PolarHBondContact O-N 3.34Å; P95-C99 VanDerWaalsContact O-N 3.15Å | ||
| 96 | R | 87.1 | Confident | 89.9 | Confident | 100 Ų | 100 | 50.4 Ų | 50.4 | 38% | 0.377 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.1 | -31.6 | -174.1 | -72.7 | -63.8 | -173.9 | -174.6 | -2.5 | 114.2 | L94 Q98 C99 E100 E141 H145 | L94-R96 PolarHBondContact O-N 2.95Å; R96-Q98 VanDerWaalsContact C-N 3.3Å; R96-Q98 PolarHBondContact O-N 2.88Å; R96-C99 PolarHBondContact O-N 2.95Å; R96-E100 PolarHBondContact O-N 2.65Å; R96-E141 IonicContact NH1-OE1 3.74Å; R96-E141 PolarHBondContact NH1-OE1 3.39Å; R96-H145 PolarHBondContact NH2-CE1 2.89Å |
| 97 | N | 88.9 | Confident | 90 | Very high | 122 Ų | 122 | 51.8 Ų | 51.8 | 65% | 0.652 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.2 | -33.9 | 173.3 | 61.6 | -42.5 | 0 | 0 | 0 | 112.7 | P95 G101 | P95-N97 WeakPolarHBondContact CB-OD1 3.48Å; P95-N97 PolarHBondContact O-N 2.96Å; P95-N97 VanDerWaalsContact O-N 3.09Å; N97-G101 PolarHBondContact O-N 3.2Å |
| 98 | Q | 87.8 | Confident | 89.9 | Confident | 68 Ų | 68 | 53.6 Ų | 53.6 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -73.1 | -41.6 | 174.2 | -65.1 | -179.6 | -9 | 0 | 0 | 111.1 | P95 R96 E100 G101 I102 | P95-Q98 HydrophobicContact CB-CG 4.22Å; P95-Q98 WeakPolarHBondContact O-CA 3.04Å; P95-Q98 WeakPolarHBondContact O-CB 3.33Å; P95-Q98 PolarHBondContact O-N 3.25Å; R96-Q98 VanDerWaalsContact C-N 3.3Å; R96-Q98 PolarHBondContact O-N 2.88Å; Q98-E100 PolarHBondContact O-N 3.46Å; Q98-G101 WeakPolarHBondContact O-CA 3.41Å; Q98-G101 PolarHBondContact O-N 2.86Å; Q98-G101 VanDerWaalsContact O-N 3.13Å; Q98-I102 WeakPolarHBondContact O-CG1 3.06Å; Q98-I102 PolarHBondContact O-N 3.07Å |
| 99 | C | 90.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.5 | -49.4 | 173.5 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | W91 L94 P95 R96 G101 I102 K103 | W91-C99 HydrophobicContact CH2-CB 3.95Å; W91-C99 WeakPolarHBondContact CH2-O 3.28Å; W91-C99 HydrophobicContact CZ2-CB 3.62Å; L94-C99 VanDerWaalsContact CB-SG 3.6Å; P95-C99 PolarHBondContact O-N 3.34Å; P95-C99 VanDerWaalsContact O-N 3.15Å; R96-C99 PolarHBondContact O-N 2.95Å; C99-G101 VanDerWaalsContact C-N 3.31Å; C99-G101 PolarHBondContact O-N 3.43Å; C99-I102 PolarHBondContact O-N 2.92Å; C99-K103 VanDerWaalsContact O-CB 3.26Å; C99-K103 WeakPolarHBondContact O-CB 3.44Å; C99-K103 PolarHBondContact O-N 3.25Å |
| 100 | E | 90.1 | Very high | 90.2 | Very high | 62 Ų | 62 | 49.6 Ų | 49.6 | 29% | 0.29 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -36.8 | 175.5 | -78.9 | -63.2 | 137.1 | 0 | 0 | 112.7 | R96 Q98 K103 K104 | R96-E100 PolarHBondContact O-N 2.65Å; Q98-E100 PolarHBondContact O-N 3.46Å; E100-K103 IonicContact OE1-NZ 3.97Å; E100-K103 PolarHBondContact OE1-NZ 3.41Å; E100-K103 IonicContact OE2-NZ 2.77Å; E100-K103 PolarHBondContact OE2-NZ 3.43Å; E100-K104 WeakPolarHBondContact O-CB 3.31Å; E100-K104 VanDerWaalsContact O-CG 3.29Å; E100-K104 WeakPolarHBondContact O-CG 3.38Å; E100-K104 PolarHBondContact O-N 3.46Å |
| 101 | G | 89.8 | Confident | 90.3 | Very high | 39 Ų | 39 | 50.2 Ų | 50.2 | 40% | 0.402 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.8 | -51 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N97 Q98 C99 K104 Y105 | N97-G101 PolarHBondContact O-N 3.2Å; Q98-G101 WeakPolarHBondContact O-CA 3.41Å; Q98-G101 PolarHBondContact O-N 2.86Å; Q98-G101 VanDerWaalsContact O-N 3.13Å; C99-G101 VanDerWaalsContact C-N 3.31Å; C99-G101 PolarHBondContact O-N 3.43Å; G101-K104 PolarHBondContact O-N 3Å; G101-Y105 VanDerWaalsContact O-CB 3.24Å; G101-Y105 WeakPolarHBondContact O-CB 3.46Å; G101-Y105 PolarHBondContact O-N 3.08Å |
| 102 | I | 91.2 | Very high | 90.2 | Very high | 21 Ų | 21 | 57.7 Ų | 57.7 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 177.6 | -66.5 | 165.8 | 0 | 0 | 0 | 110.1 | W60 L83 W91 L94 Q98 C99 K104 Y105 V106 I137 | W60-I102 HydrophobicContact CE3-CD1 4.48Å; L83-I102 HydrophobicContact CD1-CD1 4.4Å; L83-I102 HydrophobicContact CD1-CG2 3.94Å; L83-I102 HydrophobicContact CD2-CG2 4.41Å; W91-I102 HydrophobicContact CH2-CB 4.24Å; W91-I102 HydrophobicContact CH2-CG2 4.23Å; W91-I102 HydrophobicContact CZ3-CB 4.13Å; W91-I102 HydrophobicContact CZ3-CD1 4.12Å; W91-I102 HydrophobicContact CZ3-CG2 3.91Å; L94-I102 HydrophobicContact CD1-CD1 4.13Å; Q98-I102 WeakPolarHBondContact O-CG1 3.06Å; Q98-I102 PolarHBondContact O-N 3.07Å; C99-I102 PolarHBondContact O-N 2.92Å; I102-K104 PolarHBondContact O-N 3.25Å; I102-Y105 PolarHBondContact O-N 3.47Å; I102-V106 HydrophobicContact CG2-CG2 4.17Å; I102-V106 WeakPolarHBondContact O-CB 3.32Å; I102-V106 VanDerWaalsContact O-CG2 3.31Å; I102-V106 WeakPolarHBondContact O-CG2 3.32Å; I102-V106 PolarHBondContact O-N 3.04Å; I102-I137 HydrophobicContact CG2-CD1 4.29Å |
| 103 | K | 93 | Very high | 90.1 | Very high | 21 Ų | 21 | 56.7 Ų | 56.7 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56 | -52.8 | 177.6 | 177.9 | 176.3 | 130.9 | -168.4 | 0 | 111.6 | C99 E100 Y105 V106 V107 W146 | C99-K103 VanDerWaalsContact O-CB 3.26Å; C99-K103 WeakPolarHBondContact O-CB 3.44Å; C99-K103 PolarHBondContact O-N 3.25Å; E100-K103 IonicContact OE1-NZ 3.97Å; E100-K103 PolarHBondContact OE1-NZ 3.41Å; E100-K103 IonicContact OE2-NZ 2.77Å; E100-K103 PolarHBondContact OE2-NZ 3.43Å; K103-Y105 VanDerWaalsContact C-N 3.33Å; K103-Y105 PolarHBondContact O-N 3.44Å; K103-V106 PolarHBondContact O-N 2.89Å; K103-V107 WeakPolarHBondContact O-CB 2.95Å; K103-V107 VanDerWaalsContact O-CG2 3.26Å; K103-V107 WeakPolarHBondContact O-CG2 3.35Å; K103-V107 PolarHBondContact O-N 3.41Å; K103-W146 HydrophobicContact CD-CD2 4.21Å; K103-W146 HydrophobicContact CD-CE3 3.62Å; K103-W146 HydrophobicContact CD-CH2 4.18Å; K103-W146 HydrophobicContact CD-CZ3 3.6Å; K103-W146 HydrophobicContact CG-CE3 4.12Å; K103-W146 HydrophobicContact CG-CH2 3.87Å; K103-W146 HydrophobicContact CG-CZ3 3.54Å |
| 104 | K | 91.8 | Very high | 90.2 | Very high | 145 Ų | 145 | 52.8 Ų | 52.8 | 63% | 0.63 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.3 | -39 | 178.1 | -72.9 | 174.4 | -175.6 | 176 | 0 | 112.3 | E100 G101 I102 G108 | E100-K104 WeakPolarHBondContact O-CB 3.31Å; E100-K104 VanDerWaalsContact O-CG 3.29Å; E100-K104 WeakPolarHBondContact O-CG 3.38Å; E100-K104 PolarHBondContact O-N 3.46Å; G101-K104 PolarHBondContact O-N 3Å; I102-K104 PolarHBondContact O-N 3.25Å; K104-G108 PolarHBondContact O-N 2.99Å |
| 105 | Y | 91.1 | Very high | 90 | Very high | 87 Ų | 87 | 54.5 Ų | 54.5 | 34% | 0.341 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.3 | -49.7 | 178.2 | -177.1 | -93.5 | 0 | 0 | 0 | 111.7 | L67 G101 I102 K103 G108 L109 | L67-Y105 WeakPolarHBondContact CB-OH 3.3Å; L67-Y105 HydrophobicContact CD1-CE1 3.78Å; G101-Y105 VanDerWaalsContact O-CB 3.24Å; G101-Y105 WeakPolarHBondContact O-CB 3.46Å; G101-Y105 PolarHBondContact O-N 3.08Å; I102-Y105 PolarHBondContact O-N 3.47Å; K103-Y105 VanDerWaalsContact C-N 3.33Å; K103-Y105 PolarHBondContact O-N 3.44Å; Y105-G108 PolarHBondContact O-N 3.38Å; Y105-L109 HydrophobicContact CE1-CD2 4.02Å; Y105-L109 VanDerWaalsContact O-CB 3.25Å; Y105-L109 WeakPolarHBondContact O-CB 3.3Å; Y105-L109 PolarHBondContact O-N 3.08Å |
| 106 | V | 93 | Very high | 89.6 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 178.5 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | L83 I102 K103 L109 I110 I133 L134 I137 | L83-V106 HydrophobicContact CD2-CG2 3.93Å; I102-V106 HydrophobicContact CG2-CG2 4.17Å; I102-V106 WeakPolarHBondContact O-CB 3.32Å; I102-V106 VanDerWaalsContact O-CG2 3.31Å; I102-V106 WeakPolarHBondContact O-CG2 3.32Å; I102-V106 PolarHBondContact O-N 3.04Å; K103-V106 PolarHBondContact O-N 2.89Å; V106-L109 PolarHBondContact O-N 2.83Å; V106-I110 HydrophobicContact CG1-CD1 3.89Å; V106-I110 VanDerWaalsContact O-CG1 3.31Å; V106-I110 WeakPolarHBondContact O-CG1 3.49Å; V106-I110 PolarHBondContact O-N 3.07Å; V106-I133 HydrophobicContact CG1-CG2 4.24Å; V106-I133 HydrophobicContact CG2-CG2 4.01Å; V106-L134 HydrophobicContact CG1-CB 4.22Å; V106-I137 HydrophobicContact CB-CD1 4.34Å; V106-I137 HydrophobicContact CG1-CD1 4.47Å; V106-I137 HydrophobicContact CG2-CD1 4.25Å |
| 107 | V | 92.9 | Very high | 89.1 | Confident | 41 Ų | 41 | 54 Ų | 54 | 25% | 0.248 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | K103 L109 I110 I111 L134 W146 | K103-V107 WeakPolarHBondContact O-CB 2.95Å; K103-V107 VanDerWaalsContact O-CG2 3.26Å; K103-V107 WeakPolarHBondContact O-CG2 3.35Å; K103-V107 PolarHBondContact O-N 3.41Å; V107-L109 VanDerWaalsContact C-N 3.28Å; V107-L109 PolarHBondContact O-N 3.49Å; V107-I110 PolarHBondContact O-N 3.4Å; V107-I111 HydrophobicContact CG1-CD1 3.78Å; V107-I111 HydrophobicContact CG1-CG1 4.37Å; V107-I111 VanDerWaalsContact O-CG1 3.31Å; V107-I111 WeakPolarHBondContact O-CG1 3.47Å; V107-I111 PolarHBondContact O-N 3.33Å; V107-L134 HydrophobicContact CG2-CD1 4.11Å; V107-W146 HydrophobicContact CG2-CH2 3.67Å; V107-W146 HydrophobicContact CG2-CZ2 4.37Å |
| 108 | G | 91.8 | Very high | 88.7 | Confident | 37 Ų | 37 | 51 Ų | 51 | 38% | 0.381 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K104 Y105 K112 | K104-G108 PolarHBondContact O-N 2.99Å; Y105-G108 PolarHBondContact O-N 3.38Å; G108-K112 VanDerWaalsContact O-CB 3.28Å; G108-K112 WeakPolarHBondContact O-CB 3.37Å; G108-K112 PolarHBondContact O-N 2.86Å |
| 109 | L | 90.4 | Very high | 88.3 | Confident | 25 Ų | 25 | 50.1 Ų | 50.1 | 13% | 0.131 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.5 | -41.4 | 176.3 | -172.5 | 59.9 | 0 | 0 | 0 | 111.8 | L67 Y105 V106 V107 K112 T113 Y126 L130 | L67-L109 HydrophobicContact CD1-CD2 4.36Å; Y105-L109 HydrophobicContact CE1-CD2 4.02Å; Y105-L109 VanDerWaalsContact O-CB 3.25Å; Y105-L109 WeakPolarHBondContact O-CB 3.3Å; Y105-L109 PolarHBondContact O-N 3.08Å; V106-L109 PolarHBondContact O-N 2.83Å; V107-L109 VanDerWaalsContact C-N 3.28Å; V107-L109 PolarHBondContact O-N 3.49Å; L109-K112 PolarHBondContact O-N 3.11Å; L109-T113 WeakPolarHBondContact O-CB 3.26Å; L109-T113 PolarHBondContact O-N 3.2Å; L109-T113 PolarHBondContact O-OG1 3.5Å; L109-Y126 WeakPolarHBondContact CD2-OH 3.49Å; L109-L130 HydrophobicContact CD2-CD1 4.12Å; L109-L130 HydrophobicContact CD2-CD2 3.63Å; L109-L130 HydrophobicContact CG-CD1 3.9Å; L109-L130 HydrophobicContact CG-CD2 4.22Å |
| 110 | I | 92.3 | Very high | 87.5 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59 | -52 | 172.6 | -71.8 | 167.9 | 0 | 0 | 0 | 109.8 | V106 V107 K112 T113 S114 L130 L134 N166 I170 | V106-I110 HydrophobicContact CG1-CD1 3.89Å; V106-I110 VanDerWaalsContact O-CG1 3.31Å; V106-I110 WeakPolarHBondContact O-CG1 3.49Å; V106-I110 PolarHBondContact O-N 3.07Å; V107-I110 PolarHBondContact O-N 3.4Å; I110-K112 PolarHBondContact O-N 3.24Å; I110-T113 PolarHBondContact O-N 3.15Å; I110-T113 VanDerWaalsContact O-N 3.17Å; I110-S114 VanDerWaalsContact O-CB 3.31Å; I110-S114 WeakPolarHBondContact O-CB 3.45Å; I110-S114 PolarHBondContact O-N 3.26Å; I110-S114 PolarHBondContact O-OG 3.07Å; I110-L130 HydrophobicContact CD1-CB 4.33Å; I110-L130 HydrophobicContact CG1-CB 3.8Å; I110-L130 HydrophobicContact CG1-CD1 4.5Å; I110-L134 HydrophobicContact CD1-CB 3.78Å; I110-L134 HydrophobicContact CD1-CD2 3.78Å; I110-L134 HydrophobicContact CD1-CG 4.37Å; I110-N166 VanDerWaalsContact CG2-ND2 3.31Å; I110-N166 WeakPolarHBondContact CG2-ND2 3.17Å; I110-I170 HydrophobicContact CG2-CD1 4.42Å |
| 111 | I | 91.1 | Very high | 86.7 | Confident | 77 Ų | 77 | 57 Ų | 57 | 40% | 0.395 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.3 | -47.8 | -179.8 | -67.7 | 169.7 | 0 | 0 | 0 | 110.7 | V107 T113 S115 L163 | V107-I111 HydrophobicContact CG1-CD1 3.78Å; V107-I111 HydrophobicContact CG1-CG1 4.37Å; V107-I111 VanDerWaalsContact O-CG1 3.31Å; V107-I111 WeakPolarHBondContact O-CG1 3.47Å; V107-I111 PolarHBondContact O-N 3.33Å; I111-T113 VanDerWaalsContact C-N 3.29Å; I111-T113 PolarHBondContact O-N 2.98Å; I111-S115 WeakPolarHBondContact O-CB 3.46Å; I111-S115 PolarHBondContact O-N 3.5Å; I111-S115 PolarHBondContact O-OG 3.35Å; I111-L163 HydrophobicContact CG1-CD1 4.19Å; I111-L163 HydrophobicContact CG2-CD1 4.28Å |
| 112 | K | 88.3 | Confident | 86.2 | Confident | 162 Ų | 162 | 63.4 Ų | 63.4 | 70% | 0.704 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -58.9 | -41.4 | 179.1 | -179.7 | -178.9 | 176 | -177 | 0 | 111.8 | G108 L109 I110 | G108-K112 VanDerWaalsContact O-CB 3.28Å; G108-K112 WeakPolarHBondContact O-CB 3.37Å; G108-K112 PolarHBondContact O-N 2.86Å; L109-K112 PolarHBondContact O-N 3.11Å; I110-K112 PolarHBondContact O-N 3.24Å |
| 113 | T | 87.1 | Confident | 85.7 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -83.5 | -32.1 | -174.2 | -40 | 0 | 0 | 0 | 0 | 111.9 | L109 I110 I111 N119 I127 | L109-T113 WeakPolarHBondContact O-CB 3.26Å; L109-T113 PolarHBondContact O-N 3.2Å; L109-T113 PolarHBondContact O-OG1 3.5Å; I110-T113 PolarHBondContact O-N 3.15Å; I110-T113 VanDerWaalsContact O-N 3.17Å; I111-T113 VanDerWaalsContact C-N 3.29Å; I111-T113 PolarHBondContact O-N 2.98Å; T113-N119 HydrophobicContact CG2-CB 4.39Å; T113-N119 WeakPolarHBondContact O-CB 3.44Å; T113-I127 HydrophobicContact CG2-CD1 3.79Å; T113-I127 HydrophobicContact CG2-CG1 3.59Å |
| 114 | S | 88.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -91.4 | -16.4 | -177.9 | 76.5 | 0 | 0 | 0 | 0 | 114.5 | I110 D116 M120 S162 | I110-S114 VanDerWaalsContact O-CB 3.31Å; I110-S114 WeakPolarHBondContact O-CB 3.45Å; I110-S114 PolarHBondContact O-N 3.26Å; I110-S114 PolarHBondContact O-OG 3.07Å; S114-D116 VanDerWaalsContact C-N 3.26Å; S114-D116 PolarHBondContact O-N 3.49Å; S114-M120 VanDerWaalsContact O-SD 3.39Å; S114-S162 VanDerWaalsContact O-CB 3.28Å; S114-S162 WeakPolarHBondContact O-CB 3.48Å; S114-S162 PolarHBondContact O-OG 3.39Å |
| 115 | S | 85.2 | Confident | 85 | Confident | 54 Ų | 54 | 63.3 Ų | 63.3 | 38% | 0.378 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -72.2 | -22.6 | 179.5 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | I111 S162 | I111-S115 WeakPolarHBondContact O-CB 3.46Å; I111-S115 PolarHBondContact O-N 3.5Å; I111-S115 PolarHBondContact O-OG 3.35Å; S115-S162 PolarHBondContact O-OG 3.46Å |
| 116 | D | 80.4 | Confident | 84.9 | Confident | 70 Ų | 70 | 59.4 Ų | 59.4 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -101.7 | 115.3 | 175.5 | -175.6 | -5.7 | 0 | 0 | 0 | 111.1 | S114 A118 N119 M120 | S114-D116 VanDerWaalsContact C-N 3.26Å; S114-D116 PolarHBondContact O-N 3.49Å; D116-A118 PolarHBondContact O-N 3.46Å; D116-A118 PolarHBondContact OD1-N 3.09Å; D116-N119 HydrophobicContact CB-CB 4.29Å; D116-N119 WeakPolarHBondContact CB-ND2 3.23Å; D116-N119 PolarHBondContact O-N 3.27Å; D116-N119 VanDerWaalsContact O-N 3.13Å; D116-N119 PolarHBondContact OD2-ND2 3.14Å; D116-M120 PolarHBondContact O-N 3.15Å |
| 117 | P | 77.1 | Confident | 84.8 | Confident | 84 Ų | 84 | 59.6 Ų | 59.6 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -54.9 | -33.8 | 177.8 | -25.5 | 34.3 | 0 | 0 | 0 | 114.2 | N119 M120 E121 | P117-N119 VanDerWaalsContact C-N 3.32Å; P117-N119 PolarHBondContact O-N 2.81Å; P117-M120 PolarHBondContact O-N 3.44Å; P117-E121 PolarHBondContact O-N 3.43Å |
| 118 | A | 80.5 | Confident | 84.8 | Confident | 59 Ų | 59 | 60.6 Ų | 60.6 | 49% | 0.488 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.4 | -33.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D116 K122 | D116-A118 PolarHBondContact O-N 3.46Å; D116-A118 PolarHBondContact OD1-N 3.09Å; A118-K122 WeakPolarHBondContact O-CB 3.5Å; A118-K122 PolarHBondContact O-N 2.87Å |
| 119 | N | 77.9 | Confident | 84.9 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -73.8 | -32.8 | 176.3 | -67.8 | -27.1 | 0 | 0 | 0 | 111.5 | T113 D116 P117 E121 K122 E123 | T113-N119 HydrophobicContact CG2-CB 4.39Å; T113-N119 WeakPolarHBondContact O-CB 3.44Å; D116-N119 HydrophobicContact CB-CB 4.29Å; D116-N119 WeakPolarHBondContact CB-ND2 3.23Å; D116-N119 PolarHBondContact O-N 3.27Å; D116-N119 VanDerWaalsContact O-N 3.13Å; D116-N119 PolarHBondContact OD2-ND2 3.14Å; P117-N119 VanDerWaalsContact C-N 3.32Å; P117-N119 PolarHBondContact O-N 2.81Å; N119-E121 VanDerWaalsContact C-N 3.31Å; N119-E121 PolarHBondContact O-N 2.9Å; N119-K122 PolarHBondContact O-N 3.34Å; N119-E123 WeakPolarHBondContact O-CB 3.49Å; N119-E123 PolarHBondContact O-N 3.34Å |
| 120 | M | 74.2 | Confident | 85 | Confident | 27 Ų | 27 | 58.8 Ų | 58.8 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.4 | -38.2 | 176.2 | -70.4 | -168.7 | 69.5 | 0 | 0 | 113 | S114 D116 P117 G124 I127 Q165 N166 | S114-M120 VanDerWaalsContact O-SD 3.39Å; D116-M120 PolarHBondContact O-N 3.15Å; P117-M120 PolarHBondContact O-N 3.44Å; M120-G124 PolarHBondContact O-N 2.86Å; M120-I127 HydrophobicContact CB-CD1 4.33Å; M120-I127 HydrophobicContact CG-CD1 4.06Å; M120-Q165 HydrophobicContact CE-CG 4.27Å; M120-N166 HydrophobicContact CE-CB 4.2Å |
| 121 | E | 74.3 | Confident | 85.2 | Confident | 179 Ų | 179 | 58.4 Ų | 58.4 | 84% | 0.836 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -75.3 | -44.4 | 175.8 | -69.9 | -175.6 | 170.9 | 0 | 0 | 112.2 | P117 N119 | P117-E121 PolarHBondContact O-N 3.43Å; N119-E121 VanDerWaalsContact C-N 3.31Å; N119-E121 PolarHBondContact O-N 2.9Å |
| 122 | K | 78.6 | Confident | 85.4 | Confident | 174 Ų | 174 | 56.6 Ų | 56.6 | 76% | 0.757 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -72.1 | -33.9 | -174.7 | -169.6 | -178.9 | 178.1 | -171.7 | 0 | 113.4 | A118 N119 | A118-K122 WeakPolarHBondContact O-CB 3.5Å; A118-K122 PolarHBondContact O-N 2.87Å; N119-K122 PolarHBondContact O-N 3.34Å |
| 123 | E | 79.8 | Confident | 85.8 | Confident | 42 Ų | 42 | 48.9 Ų | 48.9 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 24 | -170.4 | -49.9 | -165.4 | 163.2 | 0 | 0 | 113.2 | M73 N119 V125 Y126 I127 | M73-E123 HydrophobicContact CE-CB 3.8Å; M73-E123 HydrophobicContact CE-CG 3.46Å; M73-E123 VanDerWaalsContact CE-CG 3.46Å; M73-E123 WeakPolarHBondContact CE-OE1 3.2Å; N119-E123 WeakPolarHBondContact O-CB 3.49Å; N119-E123 PolarHBondContact O-N 3.34Å; E123-V125 VanDerWaalsContact C-N 3.3Å; E123-V125 PolarHBondContact O-N 3.02Å; E123-V125 VanDerWaalsContact O-N 3.11Å; E123-Y126 WeakPolarHBondContact O-CA 3.41Å; E123-Y126 WeakPolarHBondContact O-CB 3.48Å; E123-Y126 PolarHBondContact O-N 3.47Å; E123-I127 PolarHBondContact O-N 2.97Å |
| 124 | G | 83.1 | Confident | 86.2 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 34% | 0.34 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -52.8 | -38.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | M120 Y126 S128 | M120-G124 PolarHBondContact O-N 2.86Å; G124-Y126 VanDerWaalsContact C-N 3.35Å; G124-Y126 PolarHBondContact O-N 2.97Å; G124-S128 VanDerWaalsContact O-CB 3.3Å; G124-S128 WeakPolarHBondContact O-CB 3.39Å; G124-S128 PolarHBondContact O-N 2.95Å |
| 125 | V | 87.4 | Confident | 86.6 | Confident | 109 Ų | 109 | 48.8 Ų | 48.8 | 66% | 0.661 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.8 | -39.4 | 176.7 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | Y77 E123 K129 | Y77-V125 HydrophobicContact CD2-CG1 4.11Å; Y77-V125 HydrophobicContact CE2-CG1 3.89Å; E123-V125 VanDerWaalsContact C-N 3.3Å; E123-V125 PolarHBondContact O-N 3.02Å; E123-V125 VanDerWaalsContact O-N 3.11Å; V125-K129 PolarHBondContact O-N 2.98Å; V125-K129 VanDerWaalsContact O-N 3.08Å |
| 126 | Y | 89.6 | Confident | 87.1 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.6 | -43.5 | -179.8 | 174.7 | -115.8 | 0 | 0 | 0 | 111.6 | L67 M73 K76 L80 L109 E123 G124 S128 K129 L130 | L67-Y126 HydrophobicContact CD2-CE2 4.17Å; M73-Y126 HydrophobicContact CE-CD1 4.5Å; M73-Y126 HydrophobicContact CE-CG 4.48Å; M73-Y126 WeakPolarHBondContact SD-CB 3.44Å; M73-Y126 HydrophobicContact SD-CD1 4.01Å; M73-Y126 HydrophobicContact SD-CD2 3.9Å; M73-Y126 HydrophobicContact SD-CG 3.53Å; M73-Y126 VanDerWaalsContact SD-CG 3.53Å; K76-Y126 HydrophobicContact CB-CD2 4.23Å; K76-Y126 HydrophobicContact CB-CE2 3.75Å; K76-Y126 HydrophobicContact CD-CE2 4.4Å; L80-Y126 HydrophobicContact CD1-CD2 3.68Å; L80-Y126 HydrophobicContact CD1-CE2 3.5Å; L80-Y126 VanDerWaalsContact CD1-CE2 3.5Å; L80-Y126 HydrophobicContact CG-CE2 4.13Å; L109-Y126 WeakPolarHBondContact CD2-OH 3.49Å; E123-Y126 WeakPolarHBondContact O-CA 3.41Å; E123-Y126 WeakPolarHBondContact O-CB 3.48Å; E123-Y126 PolarHBondContact O-N 3.47Å; G124-Y126 VanDerWaalsContact C-N 3.35Å; G124-Y126 PolarHBondContact O-N 2.97Å; Y126-S128 PolarHBondContact O-N 3.36Å; Y126-K129 WeakPolarHBondContact O-CB 3.43Å; Y126-K129 PolarHBondContact O-N 3.16Å; Y126-K129 VanDerWaalsContact O-N 3.17Å; Y126-L130 HydrophobicContact CD1-CD1 4.04Å; Y126-L130 HydrophobicContact CE1-CD1 3.64Å; Y126-L130 HydrophobicContact CE1-CG 4.45Å; Y126-L130 HydrophobicContact CE2-CD1 4.44Å; Y126-L130 HydrophobicContact CE2-CG 4.42Å; Y126-L130 PolarHBondContact O-N 3.42Å |
| 127 | I | 91.1 | Very high | 87.8 | Confident | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 174.6 | -63.5 | 170.7 | 0 | 0 | 0 | 110.7 | T113 M120 E123 K129 L130 N131 N166 | T113-I127 HydrophobicContact CG2-CD1 3.79Å; T113-I127 HydrophobicContact CG2-CG1 3.59Å; M120-I127 HydrophobicContact CB-CD1 4.33Å; M120-I127 HydrophobicContact CG-CD1 4.06Å; E123-I127 PolarHBondContact O-N 2.97Å; I127-K129 VanDerWaalsContact C-N 3.25Å; I127-K129 PolarHBondContact O-N 2.75Å; I127-L130 WeakPolarHBondContact O-CB 3.22Å; I127-L130 PolarHBondContact O-N 3.06Å; I127-L130 VanDerWaalsContact O-N 3.13Å; I127-N131 VanDerWaalsContact O-CG 3.27Å; I127-N131 PolarHBondContact O-N 3.5Å; I127-N166 VanDerWaalsContact CG2-OD1 3.23Å; I127-N166 WeakPolarHBondContact CG2-OD1 3.23Å |
| 128 | S | 91.4 | Very high | 88.7 | Confident | 61 Ų | 61 | 39 Ų | 39 | 43% | 0.427 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.2 | -41.3 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | G124 Y126 N131 M132 | G124-S128 VanDerWaalsContact O-CB 3.3Å; G124-S128 WeakPolarHBondContact O-CB 3.39Å; G124-S128 PolarHBondContact O-N 2.95Å; Y126-S128 PolarHBondContact O-N 3.36Å; S128-N131 PolarHBondContact O-N 3.23Å; S128-M132 PolarHBondContact O-N 3.24Å |
| 129 | K | 93.9 | Very high | 89.3 | Confident | 23 Ų | 23 | 36.7 Ų | 36.7 | 10% | 0.1 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.8 | -43.9 | 175 | -169.6 | 59 | 175.9 | 179 | 0 | 112.4 | Y77 L80 E84 V125 Y126 I127 N131 M132 I133 | Y77-K129 HydrophobicContact CD2-CB 3.94Å; Y77-K129 HydrophobicContact CD2-CG 4.02Å; Y77-K129 HydrophobicContact CE2-CB 3.61Å; Y77-K129 HydrophobicContact CE2-CD 3.96Å; Y77-K129 HydrophobicContact CE2-CG 3.71Å; L80-K129 HydrophobicContact CB-CG 3.81Å; L80-K129 HydrophobicContact CD1-CB 3.89Å; L80-K129 HydrophobicContact CD1-CG 3.68Å; L80-K129 HydrophobicContact CG-CG 4.42Å; E84-K129 IonicContact OE1-NZ 3.89Å; E84-K129 WeakPolarHBondContact OE2-CE 3.28Å; E84-K129 IonicContact OE2-NZ 2.59Å; E84-K129 PolarHBondContact OE2-NZ 2.81Å; V125-K129 PolarHBondContact O-N 2.98Å; V125-K129 VanDerWaalsContact O-N 3.08Å; Y126-K129 WeakPolarHBondContact O-CB 3.43Å; Y126-K129 PolarHBondContact O-N 3.16Å; Y126-K129 VanDerWaalsContact O-N 3.17Å; I127-K129 VanDerWaalsContact C-N 3.25Å; I127-K129 PolarHBondContact O-N 2.75Å; K129-N131 VanDerWaalsContact C-N 3.33Å; K129-N131 PolarHBondContact O-N 3.42Å; K129-M132 WeakPolarHBondContact O-CB 3.33Å; K129-M132 PolarHBondContact O-N 2.87Å; K129-M132 VanDerWaalsContact O-N 3.15Å; K129-I133 WeakPolarHBondContact O-CG1 3.48Å; K129-I133 PolarHBondContact O-N 3.24Å |
| 130 | L | 94.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.7 | -43.3 | 175.2 | -75.1 | 170.8 | 0 | 0 | 0 | 112.2 | L80 L109 I110 Y126 I127 M132 I133 L134 | L80-L130 HydrophobicContact CD1-CD2 3.76Å; L80-L130 HydrophobicContact CD1-CG 3.82Å; L80-L130 HydrophobicContact CD2-CD2 3.6Å; L80-L130 HydrophobicContact CG-CD2 4.34Å; L109-L130 HydrophobicContact CD2-CD1 4.12Å; L109-L130 HydrophobicContact CD2-CD2 3.63Å; L109-L130 HydrophobicContact CG-CD1 3.9Å; L109-L130 HydrophobicContact CG-CD2 4.22Å; I110-L130 HydrophobicContact CD1-CB 4.33Å; I110-L130 HydrophobicContact CG1-CB 3.8Å; I110-L130 HydrophobicContact CG1-CD1 4.5Å; Y126-L130 HydrophobicContact CD1-CD1 4.04Å; Y126-L130 HydrophobicContact CE1-CD1 3.64Å; Y126-L130 HydrophobicContact CE1-CG 4.45Å; Y126-L130 HydrophobicContact CE2-CD1 4.44Å; Y126-L130 HydrophobicContact CE2-CG 4.42Å; Y126-L130 PolarHBondContact O-N 3.42Å; I127-L130 WeakPolarHBondContact O-CB 3.22Å; I127-L130 PolarHBondContact O-N 3.06Å; I127-L130 VanDerWaalsContact O-N 3.13Å; L130-M132 VanDerWaalsContact C-N 3.29Å; L130-M132 PolarHBondContact O-N 2.75Å; L130-I133 WeakPolarHBondContact O-CB 3.32Å; L130-I133 PolarHBondContact O-N 3.41Å; L130-I133 VanDerWaalsContact O-N 3.12Å; L130-L134 PolarHBondContact O-N 3.48Å |
| 131 | N | 95.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 175.1 | -67.3 | -18.4 | 0 | 0 | 0 | 110.9 | I127 S128 K129 I133 L134 V135 N166 I170 L173 | I127-N131 VanDerWaalsContact O-CG 3.27Å; I127-N131 PolarHBondContact O-N 3.5Å; S128-N131 PolarHBondContact O-N 3.23Å; K129-N131 VanDerWaalsContact C-N 3.33Å; K129-N131 PolarHBondContact O-N 3.42Å; N131-I133 PolarHBondContact O-N 2.88Å; N131-L134 WeakPolarHBondContact O-CB 3.42Å; N131-L134 PolarHBondContact O-N 3.13Å; N131-V135 WeakPolarHBondContact O-CG2 3.48Å; N131-V135 PolarHBondContact O-N 2.9Å; N131-N166 PolarHBondContact ND2-OD1 3.11Å; N131-N166 PolarHBondContact OD1-ND2 3.17Å; N131-N166 PolarHBondContact OD1-OD1 2.85Å; N131-I170 HydrophobicContact CB-CG1 3.79Å; N131-I170 WeakPolarHBondContact OD1-CG1 3.48Å; N131-L173 HydrophobicContact CB-CD1 3.84Å |
| 132 | M | 95.6 | Very high | 91.5 | Very high | 39 Ų | 39 | 25.9 Ų | 25.9 | 19% | 0.192 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 174.1 | -174.7 | 56.2 | 68.5 | 0 | 0 | 111.9 | S128 K129 L130 L134 V135 Q136 L173 E177 | S128-M132 PolarHBondContact O-N 3.24Å; K129-M132 WeakPolarHBondContact O-CB 3.33Å; K129-M132 PolarHBondContact O-N 2.87Å; K129-M132 VanDerWaalsContact O-N 3.15Å; L130-M132 VanDerWaalsContact C-N 3.29Å; L130-M132 PolarHBondContact O-N 2.75Å; M132-L134 VanDerWaalsContact C-N 3.33Å; M132-L134 PolarHBondContact O-N 3.16Å; M132-V135 PolarHBondContact O-N 3.23Å; M132-Q136 WeakPolarHBondContact O-CG 3.43Å; M132-Q136 PolarHBondContact O-N 3.43Å; M132-Q136 PolarHBondContact SD-NE2 3.43Å; M132-Q136 VanDerWaalsContact SD-NE2 3.38Å; M132-L173 HydrophobicContact CE-CD1 4.39Å; M132-L173 HydrophobicContact CE-CD2 3.84Å; M132-L173 HydrophobicContact CE-CG 4.5Å; M132-E177 HydrophobicContact SD-CG 4.48Å |
| 133 | I | 96 | Very high | 92 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58 | -46.8 | 174 | -60.2 | -45.6 | 0 | 0 | 0 | 110.8 | L80 L83 E84 I87 V106 K129 L130 N131 V135 Q136 I137 | L80-I133 HydrophobicContact CB-CD1 4.41Å; L80-I133 HydrophobicContact CB-CG1 4.25Å; L80-I133 HydrophobicContact CD2-CG1 4.29Å; L80-I133 WeakPolarHBondContact O-CD1 3.4Å; L83-I133 HydrophobicContact CD2-CG2 3.98Å; L83-I133 HydrophobicContact CG-CG2 4.28Å; E84-I133 HydrophobicContact CB-CD1 3.46Å; E84-I133 VanDerWaalsContact CB-CD1 3.46Å; E84-I133 HydrophobicContact CG-CD1 3.81Å; I87-I133 HydrophobicContact CD1-CG2 3.43Å; I87-I133 VanDerWaalsContact CD1-CG2 3.43Å; V106-I133 HydrophobicContact CG1-CG2 4.24Å; V106-I133 HydrophobicContact CG2-CG2 4.01Å; K129-I133 WeakPolarHBondContact O-CG1 3.48Å; K129-I133 PolarHBondContact O-N 3.24Å; L130-I133 WeakPolarHBondContact O-CB 3.32Å; L130-I133 PolarHBondContact O-N 3.41Å; L130-I133 VanDerWaalsContact O-N 3.12Å; N131-I133 PolarHBondContact O-N 2.88Å; I133-V135 VanDerWaalsContact C-N 3.33Å; I133-V135 PolarHBondContact O-N 3.09Å; I133-Q136 PolarHBondContact O-N 3.17Å; I133-Q136 VanDerWaalsContact O-N 3.16Å; I133-I137 HydrophobicContact CG2-CD1 4.45Å; I133-I137 WeakPolarHBondContact O-CG1 3.34Å; I133-I137 PolarHBondContact O-N 3.38Å |
| 134 | L | 96.7 | Very high | 92.3 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 175.9 | 176.8 | 62.3 | 0 | 0 | 0 | 111.3 | V106 V107 I110 L130 N131 M132 Q136 I137 L138 W146 I170 | V106-L134 HydrophobicContact CG1-CB 4.22Å; V107-L134 HydrophobicContact CG2-CD1 4.11Å; I110-L134 HydrophobicContact CD1-CB 3.78Å; I110-L134 HydrophobicContact CD1-CD2 3.78Å; I110-L134 HydrophobicContact CD1-CG 4.37Å; L130-L134 PolarHBondContact O-N 3.48Å; N131-L134 WeakPolarHBondContact O-CB 3.42Å; N131-L134 PolarHBondContact O-N 3.13Å; M132-L134 VanDerWaalsContact C-N 3.33Å; M132-L134 PolarHBondContact O-N 3.16Å; L134-Q136 VanDerWaalsContact C-N 3.31Å; L134-Q136 PolarHBondContact O-N 2.98Å; L134-I137 WeakPolarHBondContact O-CA 3.3Å; L134-I137 WeakPolarHBondContact O-CB 3.28Å; L134-I137 PolarHBondContact O-N 3.01Å; L134-I137 VanDerWaalsContact O-N 3.07Å; L134-L138 HydrophobicContact CD1-CG 4.48Å; L134-L138 HydrophobicContact CG-CD1 4.24Å; L134-L138 WeakPolarHBondContact O-CG 3.4Å; L134-L138 PolarHBondContact O-N 3.14Å; L134-W146 HydrophobicContact CD1-CH2 3.94Å; L134-W146 HydrophobicContact CD1-CZ3 3.93Å; L134-I170 HydrophobicContact CD2-CD1 3.84Å; L134-I170 HydrophobicContact CD2-CG1 4.41Å; L134-I170 HydrophobicContact CD2-CG2 4.09Å |
| 135 | V | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.9 | -37.9 | 176.1 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | N131 M132 I133 I137 L138 K139 I170 L173 L174 E177 | N131-V135 WeakPolarHBondContact O-CG2 3.48Å; N131-V135 PolarHBondContact O-N 2.9Å; M132-V135 PolarHBondContact O-N 3.23Å; I133-V135 VanDerWaalsContact C-N 3.33Å; I133-V135 PolarHBondContact O-N 3.09Å; V135-I137 VanDerWaalsContact C-N 3.32Å; V135-I137 PolarHBondContact O-N 3.29Å; V135-L138 PolarHBondContact O-N 3.03Å; V135-K139 HydrophobicContact CG1-CD 4.33Å; V135-K139 WeakPolarHBondContact O-CG 3.42Å; V135-K139 PolarHBondContact O-N 2.94Å; V135-I170 HydrophobicContact CG2-CG2 4.23Å; V135-L173 HydrophobicContact CG2-CB 3.87Å; V135-L174 HydrophobicContact CG1-CB 4.5Å; V135-L174 HydrophobicContact CG1-CD1 4.21Å; V135-L174 HydrophobicContact CG2-CB 4.35Å; V135-E177 HydrophobicContact CG1-CB 4.11Å; V135-E177 HydrophobicContact CG1-CG 3.81Å |
| 136 | Q | 95.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.009 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.6 | -35.8 | 173.2 | -61.6 | -50.8 | -46.1 | 0 | 0 | 112.3 | E84 I87 M132 I133 L134 Q140 E177 | E84-Q136 HydrophobicContact CG-CG 4.07Å; I87-Q136 HydrophobicContact CG2-CB 3.82Å; M132-Q136 WeakPolarHBondContact O-CG 3.43Å; M132-Q136 PolarHBondContact O-N 3.43Å; M132-Q136 PolarHBondContact SD-NE2 3.43Å; M132-Q136 VanDerWaalsContact SD-NE2 3.38Å; I133-Q136 PolarHBondContact O-N 3.17Å; I133-Q136 VanDerWaalsContact O-N 3.16Å; L134-Q136 VanDerWaalsContact C-N 3.31Å; L134-Q136 PolarHBondContact O-N 2.98Å; Q136-Q140 WeakPolarHBondContact O-CG 3.44Å; Q136-Q140 PolarHBondContact O-N 3.35Å; Q136-E177 PolarHBondContact NE2-OE2 3.36Å |
| 137 | I | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.4 | -46 | 172.3 | -63.6 | 170.1 | 0 | 0 | 0 | 110.1 | I87 W91 I102 V106 I133 L134 V135 K139 Q140 E141 | I87-I137 HydrophobicContact CD1-CD1 4.12Å; I87-I137 HydrophobicContact CD1-CG1 3.74Å; I87-I137 HydrophobicContact CG1-CG1 4.17Å; I87-I137 HydrophobicContact CG2-CG1 4.03Å; W91-I137 HydrophobicContact CH2-CD1 4.26Å; W91-I137 HydrophobicContact CH2-CG1 4.05Å; W91-I137 HydrophobicContact CH2-CG2 4.04Å; W91-I137 HydrophobicContact CZ2-CG2 3.82Å; W91-I137 HydrophobicContact CZ3-CG1 4.26Å; I102-I137 HydrophobicContact CG2-CD1 4.29Å; V106-I137 HydrophobicContact CB-CD1 4.34Å; V106-I137 HydrophobicContact CG1-CD1 4.47Å; V106-I137 HydrophobicContact CG2-CD1 4.25Å; I133-I137 HydrophobicContact CG2-CD1 4.45Å; I133-I137 WeakPolarHBondContact O-CG1 3.34Å; I133-I137 PolarHBondContact O-N 3.38Å; L134-I137 WeakPolarHBondContact O-CA 3.3Å; L134-I137 WeakPolarHBondContact O-CB 3.28Å; L134-I137 PolarHBondContact O-N 3.01Å; L134-I137 VanDerWaalsContact O-N 3.07Å; V135-I137 VanDerWaalsContact C-N 3.32Å; V135-I137 PolarHBondContact O-N 3.29Å; I137-K139 VanDerWaalsContact C-N 3.33Å; I137-K139 PolarHBondContact O-N 2.79Å; I137-Q140 PolarHBondContact O-N 3.31Å; I137-E141 PolarHBondContact O-N 3.22Å |
| 138 | L | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 178.4 | -66.5 | 169.4 | 0 | 0 | 0 | 111.6 | L134 V135 Q140 E141 W142 W146 F149 L174 | L134-L138 HydrophobicContact CD1-CG 4.48Å; L134-L138 HydrophobicContact CG-CD1 4.24Å; L134-L138 WeakPolarHBondContact O-CG 3.4Å; L134-L138 PolarHBondContact O-N 3.14Å; V135-L138 PolarHBondContact O-N 3.03Å; L138-Q140 PolarHBondContact O-N 3.18Å; L138-Q140 VanDerWaalsContact O-N 3.12Å; L138-E141 PolarHBondContact O-N 3.46Å; L138-W142 HydrophobicContact CB-CB 4.25Å; L138-W142 HydrophobicContact CD2-CB 3.99Å; L138-W142 VanDerWaalsContact O-CB 3.31Å; L138-W142 WeakPolarHBondContact O-CB 3.41Å; L138-W142 PolarHBondContact O-N 2.84Å; L138-W146 HydrophobicContact CD2-CD2 4.49Å; L138-W146 HydrophobicContact CD2-CE3 3.91Å; L138-W146 HydrophobicContact CD2-CZ3 4.11Å; L138-F149 HydrophobicContact CD1-CD1 4.21Å; L138-F149 HydrophobicContact CD1-CE1 3.5Å; L138-F149 HydrophobicContact CD1-CE2 3.86Å; L138-F149 HydrophobicContact CD1-CZ 3.3Å; L138-F149 HydrophobicContact CD2-CB 4.34Å; L138-F149 HydrophobicContact CD2-CD1 3.7Å; L138-F149 HydrophobicContact CD2-CD2 3.62Å; L138-F149 HydrophobicContact CD2-CE1 3.87Å; L138-F149 HydrophobicContact CD2-CE2 3.78Å; L138-F149 HydrophobicContact CD2-CG 3.58Å; L138-F149 HydrophobicContact CD2-CZ 3.91Å; L138-F149 HydrophobicContact CG-CE1 4.34Å; L138-F149 HydrophobicContact CG-CE2 4.4Å; L138-F149 HydrophobicContact CG-CZ 4.24Å; L138-L174 HydrophobicContact CB-CD1 4.19Å; L138-L174 HydrophobicContact CD1-CD1 4.41Å; L138-L174 HydrophobicContact CD1-CD2 4.33Å |
| 139 | K | 92.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 22.6 Ų | 22.6 | 5% | 0.052 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.5 | -24.8 | 174.2 | -72.7 | 168.2 | 70.7 | -174.8 | 0 | 113.2 | V135 I137 E177 M186 K190 | V135-K139 HydrophobicContact CG1-CD 4.33Å; V135-K139 WeakPolarHBondContact O-CG 3.42Å; V135-K139 PolarHBondContact O-N 2.94Å; I137-K139 VanDerWaalsContact C-N 3.33Å; I137-K139 PolarHBondContact O-N 2.79Å; K139-E177 HydrophobicContact CD-CB 3.98Å; K139-E177 HydrophobicContact CD-CG 4.35Å; K139-E177 IonicContact NZ-OE2 3.97Å; K139-E177 PolarHBondContact NZ-OE2 3.15Å; K139-M186 HydrophobicContact CG-CE 4.47Å; K139-K190 WeakPolarHBondContact O-CE 3.3Å; K139-K190 PolarHBondContact O-NZ 3.34Å |
| 140 | Q | 90.4 | Very high | 93.4 | Very high | 15 Ų | 15 | 21.5 Ų | 21.5 | 7% | 0.07 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -94.3 | -29.9 | 179.5 | -64 | -60.4 | -7.6 | 0 | 0 | 113.7 | I87 W91 Q136 I137 L138 E1019 | I87-Q140 HydrophobicContact CG2-CG 4.33Å; W91-Q140 HydrophobicContact CB-CB 4.48Å; W91-Q140 HydrophobicContact CB-CG 4.27Å; W91-Q140 HydrophobicContact CG-CB 4.03Å; W91-Q140 HydrophobicContact CG-CG 4.3Å; Q136-Q140 WeakPolarHBondContact O-CG 3.44Å; Q136-Q140 PolarHBondContact O-N 3.35Å; I137-Q140 PolarHBondContact O-N 3.31Å; L138-Q140 PolarHBondContact O-N 3.18Å; L138-Q140 VanDerWaalsContact O-N 3.12Å; Q140-E1019 PolarHBondContact NE2-OE1 2.88Å |
| 141 | E | 89.6 | Confident | 93.4 | Very high | 5 Ų | 5 | 24 Ų | 24 | 2% | 0.023 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -122.2 | -23.8 | -171.3 | -72.1 | -160.8 | 161.3 | 0 | 0 | 116.3 | W91 R96 I137 L138 K144 H145 | W91-E141 HydrophobicContact CZ2-CG 4.26Å; W91-E141 WeakPolarHBondContact CZ2-OE1 3.5Å; W91-E141 PolarHBondContact NE1-OE1 3.49Å; R96-E141 IonicContact NH1-OE1 3.74Å; R96-E141 PolarHBondContact NH1-OE1 3.39Å; I137-E141 PolarHBondContact O-N 3.22Å; L138-E141 PolarHBondContact O-N 3.46Å; E141-K144 PolarHBondContact O-N 2.66Å; E141-K144 VanDerWaalsContact O-N 3.13Å; E141-H145 HydrophobicContact CB-CB 4.12Å; E141-H145 HydrophobicContact CG-CB 4.38Å; E141-H145 PolarHBondContact O-N 3.48Å |
| 142 | W | 92.4 | Very high | 93.3 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 3% | 0.03 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 138.1 | 179 | 175 | 81.4 | 0 | 0 | 0 | 109.9 | L138 I150 L194 M198 | L138-W142 HydrophobicContact CB-CB 4.25Å; L138-W142 HydrophobicContact CD2-CB 3.99Å; L138-W142 VanDerWaalsContact O-CB 3.31Å; L138-W142 WeakPolarHBondContact O-CB 3.41Å; L138-W142 PolarHBondContact O-N 2.84Å; W142-I150 HydrophobicContact CZ2-CG1 4.37Å; W142-L194 HydrophobicContact CE3-CD2 3.53Å; W142-L194 HydrophobicContact CZ3-CB 4.41Å; W142-L194 HydrophobicContact CZ3-CD2 3.73Å; W142-L194 WeakPolarHBondContact O-CD2 3.5Å; W142-M198 HydrophobicContact CH2-CB 3.74Å; W142-M198 HydrophobicContact CH2-CG 4.19Å; W142-M198 HydrophobicContact CZ3-CB 4.49Å |
| 143 | P | 88.8 | Confident | 93.2 | Very high | 22 Ų | 22 | 26.3 Ų | 26.3 | 14% | 0.143 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -87.3 | -13.6 | 2 | 35.9 | -40.1 | 0 | 0 | 0 | 115.7 | H145 W146 P147 H193 S197 | P143-H145 PolarHBondContact O-N 3.13Å; P143-W146 CarbonylContact O-C 3.33Å; P143-W146 PolarHBondContact O-N 3.26Å; P143-P147 VanDerWaalsContact O-CA 3.23Å; P143-P147 WeakPolarHBondContact O-CA 3.47Å; P143-P147 WeakPolarHBondContact O-CD 3.45Å; P143-H193 VanDerWaalsContact CD-CE1 3.48Å; P143-H193 WeakPolarHBondContact CD-CE1 3.28Å; P143-H193 VanDerWaalsContact CG-CE1 3.46Å; P143-H193 WeakPolarHBondContact CG-CE1 3.34Å; P143-S197 WeakPolarHBondContact CG-OG 3.45Å |
| 144 | K | 87.8 | Confident | 93.1 | Very high | 94 Ų | 94 | 27 Ų | 27 | 41% | 0.409 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -51.4 | -165.2 | -176.2 | -177.2 | 173.8 | -164.8 | 0 | 115 | E141 D1024 T1026 D1027 | E141-K144 PolarHBondContact O-N 2.66Å; E141-K144 VanDerWaalsContact O-N 3.13Å; K144-D1024 IonicContact NZ-OD2 2.92Å; K144-D1024 PolarHBondContact NZ-OD2 3.45Å; K144-T1026 PolarHBondContact NZ-OG1 2.99Å; K144-D1027 WeakPolarHBondContact CD-OD1 3.49Å; K144-D1027 IonicContact NZ-OD1 2.88Å; K144-D1027 PolarHBondContact NZ-OD1 3.49Å |
| 145 | H | 87.8 | Confident | 92.9 | Very high | 63 Ų | 63 | 28.4 Ų | 28.4 | 29% | 0.292 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 1.8 | -177.5 | -59.1 | 101.1 | 0 | 0 | 0 | 112.6 | R96 E141 P143 | R96-H145 PolarHBondContact NH2-CE1 2.89Å; E141-H145 HydrophobicContact CB-CB 4.12Å; E141-H145 HydrophobicContact CG-CB 4.38Å; E141-H145 PolarHBondContact O-N 3.48Å; P143-H145 PolarHBondContact O-N 3.13Å |
| 146 | W | 93.1 | Very high | 92.7 | Very high | 27 Ų | 27 | 30 Ų | 30 | 10% | 0.102 | 18% | 0.176 | C | C | . | . | trans | -144.2 | 59.4 | 174.3 | -156.5 | -16.4 | 0 | 0 | 0 | 112.3 | K103 V107 L134 L138 P143 T148 F149 | K103-W146 HydrophobicContact CD-CD2 4.21Å; K103-W146 HydrophobicContact CD-CE3 3.62Å; K103-W146 HydrophobicContact CD-CH2 4.18Å; K103-W146 HydrophobicContact CD-CZ3 3.6Å; K103-W146 HydrophobicContact CG-CE3 4.12Å; K103-W146 HydrophobicContact CG-CH2 3.87Å; K103-W146 HydrophobicContact CG-CZ3 3.54Å; V107-W146 HydrophobicContact CG2-CH2 3.67Å; V107-W146 HydrophobicContact CG2-CZ2 4.37Å; L134-W146 HydrophobicContact CD1-CH2 3.94Å; L134-W146 HydrophobicContact CD1-CZ3 3.93Å; L138-W146 HydrophobicContact CD2-CD2 4.49Å; L138-W146 HydrophobicContact CD2-CE3 3.91Å; L138-W146 HydrophobicContact CD2-CZ3 4.11Å; P143-W146 CarbonylContact O-C 3.33Å; P143-W146 PolarHBondContact O-N 3.26Å; W146-T148 PolarHBondContact O-N 3.49Å; W146-F149 HydrophobicContact CB-CB 4.44Å; W146-F149 HydrophobicContact CD2-CB 4.11Å; W146-F149 HydrophobicContact CD2-CD2 4.22Å; W146-F149 AromaticContact CE2-CD2 3.86Å; W146-F149 HydrophobicContact CG-CB 3.83Å; W146-F149 HydrophobicContact CH2-CD2 4.22Å; W146-F149 AromaticContact CZ2-CD2 3.88Å; W146-F149 HydrophobicContact CZ2-CD2 3.88Å; W146-F149 WeakPolarHBondContact O-CB 3.39Å; W146-F149 PolarHBondContact O-N 3.43Å; W146-F149 VanDerWaalsContact O-N 3.16Å | ||
| 147 | P | 92.9 | Very high | 92.6 | Very high | 81 Ų | 81 | 30.2 Ų | 30.2 | 53% | 0.526 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -21 | -173.7 | 27.5 | -36.2 | 0 | 0 | 0 | 113.3 | P143 | P143-P147 VanDerWaalsContact O-CA 3.23Å; P143-P147 WeakPolarHBondContact O-CA 3.47Å; P143-P147 WeakPolarHBondContact O-CD 3.45Å |
| 148 | T | 94.4 | Very high | 92.4 | Very high | 67 Ų | 67 | 36.4 Ų | 36.4 | 41% | 0.411 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 0.7 | 179.8 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | W146 I150 S151 D152 | W146-T148 PolarHBondContact O-N 3.49Å; T148-I150 PolarHBondContact O-N 3.08Å; T148-S151 WeakPolarHBondContact CA-OG 3.04Å; T148-S151 PolarHBondContact O-N 2.8Å; T148-S151 VanDerWaalsContact O-N 3.13Å; T148-S151 PolarHBondContact O-OG 3.34Å; T148-D152 WeakPolarHBondContact CB-OD2 3.4Å; T148-D152 WeakPolarHBondContact O-CB 3.49Å; T148-D152 PolarHBondContact O-N 3.33Å; T148-D152 PolarHBondContact OG1-OD2 3.29Å |
| 149 | F | 95.2 | Very high | 92.1 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.1 | -49.1 | -171.2 | 171.6 | -107.3 | 0 | 0 | 0 | 113.3 | L138 W146 D152 I153 I170 L174 | L138-F149 HydrophobicContact CD1-CD1 4.21Å; L138-F149 HydrophobicContact CD1-CE1 3.5Å; L138-F149 HydrophobicContact CD1-CE2 3.86Å; L138-F149 HydrophobicContact CD1-CZ 3.3Å; L138-F149 HydrophobicContact CD2-CB 4.34Å; L138-F149 HydrophobicContact CD2-CD1 3.7Å; L138-F149 HydrophobicContact CD2-CD2 3.62Å; L138-F149 HydrophobicContact CD2-CE1 3.87Å; L138-F149 HydrophobicContact CD2-CE2 3.78Å; L138-F149 HydrophobicContact CD2-CG 3.58Å; L138-F149 HydrophobicContact CD2-CZ 3.91Å; L138-F149 HydrophobicContact CG-CE1 4.34Å; L138-F149 HydrophobicContact CG-CE2 4.4Å; L138-F149 HydrophobicContact CG-CZ 4.24Å; W146-F149 HydrophobicContact CB-CB 4.44Å; W146-F149 HydrophobicContact CD2-CB 4.11Å; W146-F149 HydrophobicContact CD2-CD2 4.22Å; W146-F149 AromaticContact CE2-CD2 3.86Å; W146-F149 HydrophobicContact CG-CB 3.83Å; W146-F149 HydrophobicContact CH2-CD2 4.22Å; W146-F149 AromaticContact CZ2-CD2 3.88Å; W146-F149 HydrophobicContact CZ2-CD2 3.88Å; W146-F149 WeakPolarHBondContact O-CB 3.39Å; W146-F149 PolarHBondContact O-N 3.43Å; W146-F149 VanDerWaalsContact O-N 3.16Å; F149-D152 PolarHBondContact O-N 3Å; F149-I153 HydrophobicContact CE1-CG2 4.49Å; F149-I153 HydrophobicContact CE2-CB 4.38Å; F149-I153 HydrophobicContact CE2-CD1 4.15Å; F149-I153 HydrophobicContact CZ-CB 4.4Å; F149-I153 HydrophobicContact CZ-CD1 3.71Å; F149-I153 HydrophobicContact CZ-CG2 4.42Å; F149-I153 WeakPolarHBondContact O-CB 3.46Å; F149-I153 WeakPolarHBondContact O-CG2 3.42Å; F149-I153 PolarHBondContact O-N 3.31Å; F149-I170 HydrophobicContact CZ-CG2 4.32Å; F149-L174 HydrophobicContact CE1-CD2 4.2Å |
| 150 | I | 95 | Very high | 91.9 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | -179.6 | -61.8 | -58.1 | 0 | 0 | 0 | 111 | W142 T148 D152 I153 V154 L171 E201 Q204 I205 | W142-I150 HydrophobicContact CZ2-CG1 4.37Å; T148-I150 PolarHBondContact O-N 3.08Å; I150-D152 VanDerWaalsContact C-N 3.33Å; I150-D152 PolarHBondContact O-N 3.38Å; I150-I153 WeakPolarHBondContact O-CG2 3.48Å; I150-V154 HydrophobicContact CG2-CG2 4.25Å; I150-V154 VanDerWaalsContact O-CB 3.28Å; I150-V154 WeakPolarHBondContact O-CB 3.5Å; I150-V154 WeakPolarHBondContact O-CG2 3.47Å; I150-V154 PolarHBondContact O-N 3.09Å; I150-L171 HydrophobicContact CD1-CD2 4.11Å; I150-E201 HydrophobicContact CB-CB 4.37Å; I150-E201 WeakPolarHBondContact CB-OE2 3.31Å; I150-E201 HydrophobicContact CG1-CB 4.2Å; I150-E201 WeakPolarHBondContact CG1-OE2 3.43Å; I150-E201 HydrophobicContact CG2-CB 4.26Å; I150-Q204 HydrophobicContact CG2-CB 4.25Å; I150-I205 HydrophobicContact CD1-CD1 4Å; I150-I205 HydrophobicContact CG2-CD1 4.25Å; I150-I205 HydrophobicContact CG2-CG1 3.8Å |
| 151 | S | 94.3 | Very high | 91.8 | Very high | 54 Ų | 54 | 46.7 Ų | 46.7 | 38% | 0.378 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 175.8 | 53 | 0 | 0 | 0 | 0 | 112.5 | T148 G155 | T148-S151 WeakPolarHBondContact CA-OG 3.04Å; T148-S151 PolarHBondContact O-N 2.8Å; T148-S151 VanDerWaalsContact O-N 3.13Å; T148-S151 PolarHBondContact O-OG 3.34Å; S151-G155 PolarHBondContact O-N 2.92Å |
| 152 | D | 93.6 | Very high | 91.9 | Very high | 78 Ų | 78 | 47 Ų | 47 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.2 | -47.2 | -179.3 | -65.6 | -25.6 | 0 | 0 | 0 | 110.5 | T148 F149 I150 G155 A156 | T148-D152 WeakPolarHBondContact CB-OD2 3.4Å; T148-D152 WeakPolarHBondContact O-CB 3.49Å; T148-D152 PolarHBondContact O-N 3.33Å; T148-D152 PolarHBondContact OG1-OD2 3.29Å; F149-D152 PolarHBondContact O-N 3Å; I150-D152 VanDerWaalsContact C-N 3.33Å; I150-D152 PolarHBondContact O-N 3.38Å; D152-G155 PolarHBondContact O-N 3.49Å; D152-A156 VanDerWaalsContact O-CB 3.25Å; D152-A156 WeakPolarHBondContact O-CB 3.2Å; D152-A156 PolarHBondContact O-N 3.23Å |
| 153 | I | 93.6 | Very high | 91.8 | Very high | 10 Ų | 10 | 47.3 Ų | 47.3 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.6 | -38.9 | -179.6 | -159.1 | 172.3 | 0 | 0 | 0 | 111.4 | F149 I150 S157 N167 I170 L171 | F149-I153 HydrophobicContact CE1-CG2 4.49Å; F149-I153 HydrophobicContact CE2-CB 4.38Å; F149-I153 HydrophobicContact CE2-CD1 4.15Å; F149-I153 HydrophobicContact CZ-CB 4.4Å; F149-I153 HydrophobicContact CZ-CD1 3.71Å; F149-I153 HydrophobicContact CZ-CG2 4.42Å; F149-I153 WeakPolarHBondContact O-CB 3.46Å; F149-I153 WeakPolarHBondContact O-CG2 3.42Å; F149-I153 PolarHBondContact O-N 3.31Å; I150-I153 WeakPolarHBondContact O-CG2 3.48Å; I153-S157 VanDerWaalsContact O-CB 3.32Å; I153-S157 WeakPolarHBondContact O-CB 3.35Å; I153-S157 PolarHBondContact O-N 2.99Å; I153-S157 PolarHBondContact O-OG 3.33Å; I153-N167 HydrophobicContact CD1-CB 3.79Å; I153-N167 HydrophobicContact CG1-CB 3.66Å; I153-N167 VanDerWaalsContact CG1-ND2 3.3Å; I153-N167 WeakPolarHBondContact CG1-ND2 3.29Å; I153-N167 PolarHBondContact O-ND2 2.96Å; I153-I170 HydrophobicContact CD1-CB 4.34Å; I153-I170 HydrophobicContact CD1-CG2 4.12Å; I153-L171 HydrophobicContact CD1-CG 4.43Å; I153-L171 HydrophobicContact CG2-CD2 4.38Å |
| 154 | V | 94.2 | Very high | 92.1 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 174.8 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | I150 S157 Q204 L208 | I150-V154 HydrophobicContact CG2-CG2 4.25Å; I150-V154 VanDerWaalsContact O-CB 3.28Å; I150-V154 WeakPolarHBondContact O-CB 3.5Å; I150-V154 WeakPolarHBondContact O-CG2 3.47Å; I150-V154 PolarHBondContact O-N 3.09Å; V154-S157 PolarHBondContact O-N 2.92Å; V154-Q204 HydrophobicContact CG2-CB 4.39Å; V154-L208 HydrophobicContact CG1-CB 4.29Å; V154-L208 HydrophobicContact CG2-CD2 4.18Å |
| 155 | G | 92.4 | Very high | 92.4 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 38% | 0.381 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.3 | -49.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S151 D152 S157 R158 | S151-G155 PolarHBondContact O-N 2.92Å; D152-G155 PolarHBondContact O-N 3.49Å; G155-S157 VanDerWaalsContact C-N 3.28Å; G155-S157 PolarHBondContact O-N 3.45Å; G155-R158 WeakPolarHBondContact O-CB 3.48Å; G155-R158 PolarHBondContact O-N 3.08Å; G155-R158 VanDerWaalsContact O-N 3.1Å |
| 156 | A | 91.8 | Very high | 92.7 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 28% | 0.281 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.5 | -37.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D152 R158 T159 L163 | D152-A156 VanDerWaalsContact O-CB 3.25Å; D152-A156 WeakPolarHBondContact O-CB 3.2Å; D152-A156 PolarHBondContact O-N 3.23Å; A156-R158 PolarHBondContact O-N 3.5Å; A156-R158 VanDerWaalsContact O-N 3.12Å; A156-T159 WeakPolarHBondContact O-CB 3.26Å; A156-T159 PolarHBondContact O-N 2.89Å; A156-T159 PolarHBondContact O-OG1 3.29Å; A156-L163 HydrophobicContact CB-CD2 3.67Å; A156-L163 WeakPolarHBondContact O-CD2 3.34Å |
| 157 | S | 94.2 | Very high | 92.8 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.4 | -20.8 | 177.3 | -60.5 | 0 | 0 | 0 | 0 | 113.8 | I153 V154 G155 T159 C164 N167 | I153-S157 VanDerWaalsContact O-CB 3.32Å; I153-S157 WeakPolarHBondContact O-CB 3.35Å; I153-S157 PolarHBondContact O-N 2.99Å; I153-S157 PolarHBondContact O-OG 3.33Å; V154-S157 PolarHBondContact O-N 2.92Å; G155-S157 VanDerWaalsContact C-N 3.28Å; G155-S157 PolarHBondContact O-N 3.45Å; S157-T159 VanDerWaalsContact C-N 3.32Å; S157-C164 VanDerWaalsContact O-CB 3.32Å; S157-C164 WeakPolarHBondContact O-CB 3.3Å; S157-N167 WeakPolarHBondContact OG-CB 2.96Å; S157-N167 PolarHBondContact OG-ND2 3.49Å |
| 158 | R | 90.4 | Very high | 93 | Very high | 130 Ų | 130 | 36.3 Ų | 36.3 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9.1 | 174.7 | -63.4 | -178.9 | -178.3 | -84.9 | 0.5 | 113.2 | G155 A156 | G155-R158 WeakPolarHBondContact O-CB 3.48Å; G155-R158 PolarHBondContact O-N 3.08Å; G155-R158 VanDerWaalsContact O-N 3.1Å; A156-R158 PolarHBondContact O-N 3.5Å; A156-R158 VanDerWaalsContact O-N 3.12Å |
| 159 | T | 88.8 | Confident | 93.1 | Very high | 111 Ų | 111 | 35.4 Ų | 35.4 | 68% | 0.681 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -34.2 | -175.7 | 67.7 | 0 | 0 | 0 | 0 | 113.6 | A156 S157 | A156-T159 WeakPolarHBondContact O-CB 3.26Å; A156-T159 PolarHBondContact O-N 2.89Å; A156-T159 PolarHBondContact O-OG1 3.29Å; S157-T159 VanDerWaalsContact C-N 3.32Å |
| 160 | S | 88.3 | Confident | 93.2 | Very high | 41 Ų | 41 | 35.1 Ų | 35.1 | 29% | 0.287 | 20% | 0.2 | S | C | . | . | trans | -149 | 136.3 | -179.9 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | S162 L163 C164 | S160-S162 PolarHBondContact OG-OG 3.25Å; S160-L163 PolarHBondContact O-N 3.41Å; S160-C164 WeakPolarHBondContact O-CB 3.48Å; S160-C164 PolarHBondContact O-N 3.33Å | ||
| 161 | E | 90.3 | Very high | 93.3 | Very high | 90 Ų | 90 | 35 Ų | 35 | 42% | 0.421 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.9 | -36.5 | 178.9 | -70.6 | -164.2 | 138.1 | 0 | 0 | 113.1 | L163 C164 Q165 S216 N218 L221 | E161-L163 VanDerWaalsContact C-N 3.34Å; E161-C164 WeakPolarHBondContact O-CB 3.44Å; E161-C164 PolarHBondContact O-N 3.32Å; E161-Q165 PolarHBondContact O-N 3.16Å; E161-S216 PolarHBondContact OE1-OG 3.33Å; E161-N218 VanDerWaalsContact OE2-CB 3.28Å; E161-N218 WeakPolarHBondContact OE2-CB 3.49Å; E161-N218 PolarHBondContact OE2-ND2 2.96Å; E161-L221 HydrophobicContact CB-CD2 4.05Å; E161-L221 HydrophobicContact CG-CD2 4.17Å |
| 162 | S | 89.8 | Confident | 93.4 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.2 | -39.7 | 177.1 | 55.2 | 0 | 0 | 0 | 0 | 111.4 | S114 S115 S160 Q165 N166 | S114-S162 VanDerWaalsContact O-CB 3.28Å; S114-S162 WeakPolarHBondContact O-CB 3.48Å; S114-S162 PolarHBondContact O-OG 3.39Å; S115-S162 PolarHBondContact O-OG 3.46Å; S160-S162 PolarHBondContact OG-OG 3.25Å; S162-Q165 WeakPolarHBondContact O-CB 3.45Å; S162-Q165 PolarHBondContact O-N 3.12Å; S162-N166 PolarHBondContact O-N 2.92Å; S162-N166 VanDerWaalsContact O-N 3.12Å |
| 163 | L | 91 | Very high | 93.5 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 7% | 0.068 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.2 | -40.7 | 174.6 | -169 | 143.4 | 0 | 0 | 0 | 111.3 | I111 A156 S160 E161 Q165 N166 N167 | I111-L163 HydrophobicContact CG1-CD1 4.19Å; I111-L163 HydrophobicContact CG2-CD1 4.28Å; A156-L163 HydrophobicContact CB-CD2 3.67Å; A156-L163 WeakPolarHBondContact O-CD2 3.34Å; S160-L163 PolarHBondContact O-N 3.41Å; E161-L163 VanDerWaalsContact C-N 3.34Å; L163-Q165 VanDerWaalsContact C-N 3.31Å; L163-Q165 PolarHBondContact O-N 3.39Å; L163-N166 PolarHBondContact O-N 3.14Å; L163-N167 WeakPolarHBondContact CD2-ND2 3.38Å; L163-N167 WeakPolarHBondContact O-CB 3.44Å; L163-N167 PolarHBondContact O-N 3.46Å; L163-N167 PolarHBondContact O-ND2 2.93Å; L163-N167 PolarHBondContact O-OD1 3.42Å |
| 164 | C | 94.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.02 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.7 | -44.6 | 171.5 | -170 | 0 | 0 | 0 | 0 | 111.7 | S157 S160 E161 N166 N167 M168 L221 | S157-C164 VanDerWaalsContact O-CB 3.32Å; S157-C164 WeakPolarHBondContact O-CB 3.3Å; S160-C164 WeakPolarHBondContact O-CB 3.48Å; S160-C164 PolarHBondContact O-N 3.33Å; E161-C164 WeakPolarHBondContact O-CB 3.44Å; E161-C164 PolarHBondContact O-N 3.32Å; C164-N166 PolarHBondContact O-N 2.81Å; C164-N167 PolarHBondContact O-N 3.48Å; C164-M168 WeakPolarHBondContact O-CG 3.19Å; C164-M168 PolarHBondContact O-N 3.33Å; C164-L221 HydrophobicContact CB-CD1 3.96Å; C164-L221 HydrophobicContact CB-CD2 4.18Å |
| 165 | Q | 94.3 | Very high | 93.5 | Very high | 40 Ų | 40 | 30.6 Ų | 30.6 | 19% | 0.187 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 179.9 | 177.8 | -175.2 | -18.1 | 0 | 0 | 110.9 | M120 E161 S162 L163 N167 M168 I169 L221 A224 | M120-Q165 HydrophobicContact CE-CG 4.27Å; E161-Q165 PolarHBondContact O-N 3.16Å; S162-Q165 WeakPolarHBondContact O-CB 3.45Å; S162-Q165 PolarHBondContact O-N 3.12Å; L163-Q165 VanDerWaalsContact C-N 3.31Å; L163-Q165 PolarHBondContact O-N 3.39Å; Q165-N167 VanDerWaalsContact C-N 3.33Å; Q165-N167 PolarHBondContact O-N 3.21Å; Q165-M168 PolarHBondContact O-N 2.97Å; Q165-I169 PolarHBondContact O-N 3.33Å; Q165-L221 HydrophobicContact CB-CB 4.16Å; Q165-L221 HydrophobicContact CB-CD1 3.99Å; Q165-A224 HydrophobicContact CG-CB 4.03Å |
| 166 | N | 94.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.8 | -37.6 | 177.6 | -167.6 | 66.1 | 0 | 0 | 0 | 112.3 | I110 M120 I127 N131 S162 L163 C164 M168 I169 I170 | I110-N166 VanDerWaalsContact CG2-ND2 3.31Å; I110-N166 WeakPolarHBondContact CG2-ND2 3.17Å; M120-N166 HydrophobicContact CE-CB 4.2Å; I127-N166 VanDerWaalsContact CG2-OD1 3.23Å; I127-N166 WeakPolarHBondContact CG2-OD1 3.23Å; N131-N166 PolarHBondContact ND2-OD1 3.11Å; N131-N166 PolarHBondContact OD1-ND2 3.17Å; N131-N166 PolarHBondContact OD1-OD1 2.85Å; S162-N166 PolarHBondContact O-N 2.92Å; S162-N166 VanDerWaalsContact O-N 3.12Å; L163-N166 PolarHBondContact O-N 3.14Å; C164-N166 PolarHBondContact O-N 2.81Å; N166-M168 VanDerWaalsContact C-N 3.34Å; N166-M168 PolarHBondContact O-N 2.95Å; N166-I169 WeakPolarHBondContact O-CB 3.49Å; N166-I169 PolarHBondContact O-N 3.2Å; N166-I169 VanDerWaalsContact O-N 3.14Å; N166-I170 WeakPolarHBondContact ND2-CD1 3.32Å; N166-I170 WeakPolarHBondContact O-CG1 3.48Å; N166-I170 PolarHBondContact O-N 3.41Å |
| 167 | N | 96.1 | Very high | 93.6 | Very high | 12 Ų | 12 | 29.4 Ų | 29.4 | 6% | 0.064 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.5 | -36.7 | 176.8 | -73.8 | -9.2 | 0 | 0 | 0 | 112.8 | I153 S157 L163 C164 Q165 I169 I170 L171 | I153-N167 HydrophobicContact CD1-CB 3.79Å; I153-N167 HydrophobicContact CG1-CB 3.66Å; I153-N167 VanDerWaalsContact CG1-ND2 3.3Å; I153-N167 WeakPolarHBondContact CG1-ND2 3.29Å; I153-N167 PolarHBondContact O-ND2 2.96Å; S157-N167 WeakPolarHBondContact OG-CB 2.96Å; S157-N167 PolarHBondContact OG-ND2 3.49Å; L163-N167 WeakPolarHBondContact CD2-ND2 3.38Å; L163-N167 WeakPolarHBondContact O-CB 3.44Å; L163-N167 PolarHBondContact O-N 3.46Å; L163-N167 PolarHBondContact O-ND2 2.93Å; L163-N167 PolarHBondContact O-OD1 3.42Å; C164-N167 PolarHBondContact O-N 3.48Å; Q165-N167 VanDerWaalsContact C-N 3.33Å; Q165-N167 PolarHBondContact O-N 3.21Å; N167-I169 VanDerWaalsContact C-N 3.3Å; N167-I169 PolarHBondContact O-N 3.02Å; N167-I170 PolarHBondContact O-N 2.91Å; N167-L171 WeakPolarHBondContact O-CG 3.49Å; N167-L171 PolarHBondContact O-N 3.29Å |
| 168 | M | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 171.3 | -70.3 | -63.8 | 170 | 0 | 0 | 111.1 | C164 Q165 N166 I170 L171 K172 L208 V212 L221 A224 T225 T228 | C164-M168 WeakPolarHBondContact O-CG 3.19Å; C164-M168 PolarHBondContact O-N 3.33Å; Q165-M168 PolarHBondContact O-N 2.97Å; N166-M168 VanDerWaalsContact C-N 3.34Å; N166-M168 PolarHBondContact O-N 2.95Å; M168-I170 PolarHBondContact O-N 3.42Å; M168-L171 PolarHBondContact O-N 2.94Å; M168-K172 WeakPolarHBondContact O-CB 3.16Å; M168-K172 PolarHBondContact O-N 3.05Å; M168-L208 HydrophobicContact CE-CB 4.4Å; M168-L208 HydrophobicContact CE-CD2 3.47Å; M168-L208 VanDerWaalsContact CE-CD2 3.47Å; M168-L208 HydrophobicContact CE-CG 3.51Å; M168-V212 HydrophobicContact CE-CG2 4.16Å; M168-L221 HydrophobicContact CG-CD1 4.33Å; M168-A224 HydrophobicContact CB-CB 4.3Å; M168-T225 HydrophobicContact CE-CG2 4.26Å; M168-T225 HydrophobicContact SD-CG2 4.21Å; M168-T228 PolarHBondContact O-OG1 3.5Å |
| 169 | I | 95.7 | Very high | 93.4 | Very high | 48 Ų | 48 | 24.5 Ų | 24.5 | 25% | 0.246 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 176 | -60.8 | 167.8 | 0 | 0 | 0 | 111.1 | Q165 N166 N167 K172 L173 A224 | Q165-I169 PolarHBondContact O-N 3.33Å; N166-I169 WeakPolarHBondContact O-CB 3.49Å; N166-I169 PolarHBondContact O-N 3.2Å; N166-I169 VanDerWaalsContact O-N 3.14Å; N167-I169 VanDerWaalsContact C-N 3.3Å; N167-I169 PolarHBondContact O-N 3.02Å; I169-K172 WeakPolarHBondContact O-CB 3.31Å; I169-K172 PolarHBondContact O-N 3.28Å; I169-L173 HydrophobicContact CG2-CD1 4.21Å; I169-L173 HydrophobicContact CG2-CG 4.46Å; I169-L173 VanDerWaalsContact O-CG 3.32Å; I169-L173 WeakPolarHBondContact O-CG 3.22Å; I169-L173 PolarHBondContact O-N 3.46Å; I169-A224 HydrophobicContact CG1-CB 4.36Å |
| 170 | I | 97 | Very high | 93.1 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 176 | -68.2 | 160.5 | 0 | 0 | 0 | 110.9 | I110 N131 L134 V135 F149 I153 N166 N167 M168 K172 L173 L174 | I110-I170 HydrophobicContact CG2-CD1 4.42Å; N131-I170 HydrophobicContact CB-CG1 3.79Å; N131-I170 WeakPolarHBondContact OD1-CG1 3.48Å; L134-I170 HydrophobicContact CD2-CD1 3.84Å; L134-I170 HydrophobicContact CD2-CG1 4.41Å; L134-I170 HydrophobicContact CD2-CG2 4.09Å; V135-I170 HydrophobicContact CG2-CG2 4.23Å; F149-I170 HydrophobicContact CZ-CG2 4.32Å; I153-I170 HydrophobicContact CD1-CB 4.34Å; I153-I170 HydrophobicContact CD1-CG2 4.12Å; N166-I170 WeakPolarHBondContact ND2-CD1 3.32Å; N166-I170 WeakPolarHBondContact O-CG1 3.48Å; N166-I170 PolarHBondContact O-N 3.41Å; N167-I170 PolarHBondContact O-N 2.91Å; M168-I170 PolarHBondContact O-N 3.42Å; I170-K172 VanDerWaalsContact C-N 3.31Å; I170-K172 PolarHBondContact O-N 3.13Å; I170-L173 PolarHBondContact O-N 3.5Å; I170-L174 WeakPolarHBondContact O-CB 3.48Å; I170-L174 PolarHBondContact O-N 2.96Å |
| 171 | L | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.9 | -36.8 | 179 | -71.1 | 170.2 | 0 | 0 | 0 | 112.1 | I150 I153 N167 M168 L174 S175 I205 T228 F232 | I150-L171 HydrophobicContact CD1-CD2 4.11Å; I153-L171 HydrophobicContact CD1-CG 4.43Å; I153-L171 HydrophobicContact CG2-CD2 4.38Å; N167-L171 WeakPolarHBondContact O-CG 3.49Å; N167-L171 PolarHBondContact O-N 3.29Å; M168-L171 PolarHBondContact O-N 2.94Å; L171-L174 PolarHBondContact O-N 3.17Å; L171-S175 WeakPolarHBondContact O-CB 3.44Å; L171-S175 PolarHBondContact O-N 3.18Å; L171-I205 HydrophobicContact CD1-CG2 3.95Å; L171-I205 HydrophobicContact CD2-CD1 4.09Å; L171-I205 HydrophobicContact CD2-CG1 4.41Å; L171-T228 HydrophobicContact CB-CG2 4.26Å; L171-F232 HydrophobicContact CB-CZ 4.13Å |
| 172 | K | 96.2 | Very high | 92.7 | Very high | 44 Ų | 44 | 21.7 Ų | 21.7 | 19% | 0.191 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.9 | -50.8 | 172.5 | -169.2 | -174 | 73.4 | 167.6 | 0 | 111.6 | M168 I169 I170 L174 S175 E176 E227 T228 R231 | M168-K172 WeakPolarHBondContact O-CB 3.16Å; M168-K172 PolarHBondContact O-N 3.05Å; I169-K172 WeakPolarHBondContact O-CB 3.31Å; I169-K172 PolarHBondContact O-N 3.28Å; I170-K172 VanDerWaalsContact C-N 3.31Å; I170-K172 PolarHBondContact O-N 3.13Å; K172-L174 VanDerWaalsContact C-N 3.28Å; K172-L174 PolarHBondContact O-N 3.09Å; K172-S175 VanDerWaalsContact O-CB 3.31Å; K172-S175 WeakPolarHBondContact O-CB 3.29Å; K172-S175 PolarHBondContact O-N 2.76Å; K172-S175 VanDerWaalsContact O-N 3.15Å; K172-E176 WeakPolarHBondContact O-CG 3.36Å; K172-E176 PolarHBondContact O-N 2.87Å; K172-E227 HydrophobicContact CD-CB 4.4Å; K172-T228 HydrophobicContact CB-CG2 3.92Å; K172-R231 HydrophobicContact CD-CG 4.15Å; K172-R231 HydrophobicContact CG-CB 4.21Å; K172-R231 HydrophobicContact CG-CG 3.65Å |
| 173 | L | 95.8 | Very high | 92.3 | Very high | 18 Ų | 18 | 24.8 Ų | 24.8 | 9% | 0.094 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.8 | -38.3 | 179 | -69.5 | 174.3 | 0 | 0 | 0 | 111.5 | N131 M132 V135 I169 I170 E176 E177 | N131-L173 HydrophobicContact CB-CD1 3.84Å; M132-L173 HydrophobicContact CE-CD1 4.39Å; M132-L173 HydrophobicContact CE-CD2 3.84Å; M132-L173 HydrophobicContact CE-CG 4.5Å; V135-L173 HydrophobicContact CG2-CB 3.87Å; I169-L173 HydrophobicContact CG2-CD1 4.21Å; I169-L173 HydrophobicContact CG2-CG 4.46Å; I169-L173 VanDerWaalsContact O-CG 3.32Å; I169-L173 WeakPolarHBondContact O-CG 3.22Å; I169-L173 PolarHBondContact O-N 3.46Å; I170-L173 PolarHBondContact O-N 3.5Å; L173-E176 PolarHBondContact O-N 3.3Å; L173-E177 WeakPolarHBondContact O-CB 3.38Å; L173-E177 VanDerWaalsContact O-CG 3.28Å; L173-E177 WeakPolarHBondContact O-CG 3.43Å; L173-E177 PolarHBondContact O-N 2.84Å |
| 174 | L | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 174.1 | -177.4 | 63.3 | 0 | 0 | 0 | 111.4 | V135 L138 F149 I170 L171 K172 E177 V178 M198 | V135-L174 HydrophobicContact CG1-CB 4.5Å; V135-L174 HydrophobicContact CG1-CD1 4.21Å; V135-L174 HydrophobicContact CG2-CB 4.35Å; L138-L174 HydrophobicContact CB-CD1 4.19Å; L138-L174 HydrophobicContact CD1-CD1 4.41Å; L138-L174 HydrophobicContact CD1-CD2 4.33Å; F149-L174 HydrophobicContact CE1-CD2 4.2Å; I170-L174 WeakPolarHBondContact O-CB 3.48Å; I170-L174 PolarHBondContact O-N 2.96Å; L171-L174 PolarHBondContact O-N 3.17Å; K172-L174 VanDerWaalsContact C-N 3.28Å; K172-L174 PolarHBondContact O-N 3.09Å; L174-E177 PolarHBondContact O-N 3.13Å; L174-V178 HydrophobicContact CD1-CG2 4.03Å; L174-V178 HydrophobicContact CG-CG2 4.45Å; L174-V178 WeakPolarHBondContact O-CB 3.46Å; L174-V178 VanDerWaalsContact O-CG2 3.24Å; L174-V178 WeakPolarHBondContact O-CG2 3.41Å; L174-V178 PolarHBondContact O-N 3.47Å; L174-M198 HydrophobicContact CD2-CE 4.5Å; L174-M198 HydrophobicContact CG-SD 4.42Å |
| 175 | S | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.2 | -49.5 | 174.2 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | L171 K172 E177 V178 F179 W235 | L171-S175 WeakPolarHBondContact O-CB 3.44Å; L171-S175 PolarHBondContact O-N 3.18Å; K172-S175 VanDerWaalsContact O-CB 3.31Å; K172-S175 WeakPolarHBondContact O-CB 3.29Å; K172-S175 PolarHBondContact O-N 2.76Å; K172-S175 VanDerWaalsContact O-N 3.15Å; S175-E177 PolarHBondContact O-N 2.86Å; S175-V178 PolarHBondContact O-N 3.37Å; S175-F179 WeakPolarHBondContact O-CB 3.05Å; S175-F179 PolarHBondContact O-N 3.49Å; S175-W235 PolarHBondContact OG-NE1 3.46Å |
| 176 | E | 93 | Very high | 91 | Very high | 29 Ų | 29 | 28.1 Ų | 28.1 | 14% | 0.136 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -59.3 | -46.6 | 179.5 | -73.3 | 174.2 | 158.6 | 0 | 0 | 110.8 | K172 L173 V178 D180 F181 R231 | K172-E176 WeakPolarHBondContact O-CG 3.36Å; K172-E176 PolarHBondContact O-N 2.87Å; L173-E176 PolarHBondContact O-N 3.3Å; E176-V178 VanDerWaalsContact C-N 3.35Å; E176-V178 PolarHBondContact O-N 2.84Å; E176-D180 CarbonylContact O-C 3.57Å; E176-D180 WeakPolarHBondContact O-CA 3.46Å; E176-D180 WeakPolarHBondContact O-CB 3.49Å; E176-D180 PolarHBondContact O-N 3.32Å; E176-F181 HydrophobicContact CB-CD2 4.04Å; E176-F181 HydrophobicContact CB-CE2 4Å; E176-F181 WeakPolarHBondContact O-CD2 3.42Å; E176-F181 PolarHBondContact O-N 3.1Å; E176-R231 HydrophobicContact CG-CG 3.97Å; E176-R231 WeakPolarHBondContact OE1-CD 3.18Å; E176-R231 IonicContact OE1-CZ 3.32Å; E176-R231 IonicContact OE1-NE 2.74Å; E176-R231 PolarHBondContact OE1-NE 3.41Å; E176-R231 IonicContact OE1-NH2 3.77Å |
| 177 | E | 91.9 | Very high | 90.6 | Very high | 17 Ų | 17 | 28.8 Ų | 28.8 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -69 | -29.1 | -179.2 | -69.7 | -79.4 | 114.4 | 0 | 0 | 113.7 | M132 V135 Q136 K139 L173 L174 S175 S182 Q185 M186 | M132-E177 HydrophobicContact SD-CG 4.48Å; V135-E177 HydrophobicContact CG1-CB 4.11Å; V135-E177 HydrophobicContact CG1-CG 3.81Å; Q136-E177 PolarHBondContact NE2-OE2 3.36Å; K139-E177 HydrophobicContact CD-CB 3.98Å; K139-E177 HydrophobicContact CD-CG 4.35Å; K139-E177 IonicContact NZ-OE2 3.97Å; K139-E177 PolarHBondContact NZ-OE2 3.15Å; L173-E177 WeakPolarHBondContact O-CB 3.38Å; L173-E177 VanDerWaalsContact O-CG 3.28Å; L173-E177 WeakPolarHBondContact O-CG 3.43Å; L173-E177 PolarHBondContact O-N 2.84Å; L174-E177 PolarHBondContact O-N 3.13Å; S175-E177 PolarHBondContact O-N 2.86Å; E177-S182 PolarHBondContact O-N 2.84Å; E177-Q185 PolarHBondContact OE2-OE1 2.93Å; E177-M186 WeakPolarHBondContact O-CE 3.41Å |
| 178 | V | 91.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -88.2 | -41.7 | -178.7 | 173.7 | 0 | 0 | 0 | 0 | 112 | L174 S175 E176 S182 L194 K195 | L174-V178 HydrophobicContact CD1-CG2 4.03Å; L174-V178 HydrophobicContact CG-CG2 4.45Å; L174-V178 WeakPolarHBondContact O-CB 3.46Å; L174-V178 VanDerWaalsContact O-CG2 3.24Å; L174-V178 WeakPolarHBondContact O-CG2 3.41Å; L174-V178 PolarHBondContact O-N 3.47Å; S175-V178 PolarHBondContact O-N 3.37Å; E176-V178 VanDerWaalsContact C-N 3.35Å; E176-V178 PolarHBondContact O-N 2.84Å; V178-S182 WeakPolarHBondContact O-CB 3.17Å; V178-S182 PolarHBondContact O-OG 3.42Å; V178-L194 HydrophobicContact CG1-CB 3.83Å; V178-L194 HydrophobicContact CG2-CB 4.14Å; V178-L194 HydrophobicContact CG2-CD1 4.36Å; V178-K195 HydrophobicContact CG1-CB 4.4Å; V178-K195 HydrophobicContact CG1-CG 3.65Å; V178-K195 WeakPolarHBondContact O-CE 3.27Å |
| 179 | F | 88.5 | Confident | 89.7 | Confident | 34 Ų | 34 | 32.8 Ų | 32.8 | 15% | 0.149 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -100.3 | -42.7 | -172.7 | -70 | -91.7 | 0 | 0 | 0 | 113.5 | S175 K195 M198 W235 | S175-F179 WeakPolarHBondContact O-CB 3.05Å; S175-F179 PolarHBondContact O-N 3.49Å; F179-K195 HydrophobicContact CD1-CD 4.07Å; F179-K195 HydrophobicContact CD1-CG 3.83Å; F179-K195 HydrophobicContact CE1-CB 3.76Å; F179-K195 HydrophobicContact CE1-CD 4.05Å; F179-K195 HydrophobicContact CE1-CG 3.53Å; F179-K195 HydrophobicContact CE2-CG 4.3Å; F179-K195 HydrophobicContact CG-CG 4.36Å; F179-K195 HydrophobicContact CZ-CB 3.8Å; F179-K195 HydrophobicContact CZ-CG 3.79Å; F179-M198 HydrophobicContact CD2-SD 4.32Å; F179-M198 HydrophobicContact CE2-CB 4.04Å; F179-M198 HydrophobicContact CE2-CG 4.34Å; F179-M198 HydrophobicContact CE2-SD 3.71Å; F179-M198 HydrophobicContact CZ-CB 4.34Å; F179-W235 HydrophobicContact CB-CG 4.21Å; F179-W235 HydrophobicContact CD1-CB 3.37Å; F179-W235 AromaticContact CD1-CD1 3.76Å; F179-W235 AromaticContact CD1-CD2 3.8Å; F179-W235 HydrophobicContact CD1-CD2 3.8Å; F179-W235 HydrophobicContact CD1-CE3 4.36Å; F179-W235 AromaticContact CD1-CG 3.34Å; F179-W235 HydrophobicContact CD1-CG 3.34Å; F179-W235 AromaticContact CD2-CD1 3.74Å; F179-W235 AromaticContact CD2-CD2 3.82Å; F179-W235 HydrophobicContact CD2-CD2 3.82Å; F179-W235 AromaticContact CD2-CE2 3.62Å; F179-W235 AromaticContact CD2-CG 3.91Å; F179-W235 HydrophobicContact CD2-CG 3.91Å; F179-W235 HydrophobicContact CD2-CZ2 4.18Å; F179-W235 AromaticContact CD2-NE1 3.54Å; F179-W235 HydrophobicContact CE1-CB 3.61Å; F179-W235 AromaticContact CE1-CD2 3.51Å; F179-W235 HydrophobicContact CE1-CD2 3.51Å; F179-W235 AromaticContact CE1-CE3 3.6Å; F179-W235 HydrophobicContact CE1-CE3 3.6Å; F179-W235 AromaticContact CE1-CG 3.53Å; F179-W235 HydrophobicContact CE1-CG 3.53Å; F179-W235 HydrophobicContact CE1-CZ3 4.44Å; F179-W235 AromaticContact CE2-CD2 3.55Å; F179-W235 HydrophobicContact CE2-CD2 3.55Å; F179-W235 AromaticContact CE2-CE2 3.48Å; F179-W235 VanDerWaalsContact CE2-CE2 3.48Å; F179-W235 AromaticContact CE2-CE3 3.83Å; F179-W235 HydrophobicContact CE2-CE3 3.83Å; F179-W235 HydrophobicContact CE2-CG 4.08Å; F179-W235 HydrophobicContact CE2-CH2 4.01Å; F179-W235 AromaticContact CE2-CZ2 3.73Å; F179-W235 HydrophobicContact CE2-CZ2 3.73Å; F179-W235 HydrophobicContact CE2-CZ3 4.05Å; F179-W235 AromaticContact CE2-NE1 3.93Å; F179-W235 HydrophobicContact CG-CB 4.02Å; F179-W235 AromaticContact CG-CD1 3.45Å; F179-W235 VanDerWaalsContact CG-CD1 3.45Å; F179-W235 AromaticContact CG-CD2 3.95Å; F179-W235 HydrophobicContact CG-CD2 3.95Å; F179-W235 AromaticContact CG-CG 3.54Å; F179-W235 HydrophobicContact CG-CG 3.54Å; F179-W235 AromaticContact CG-NE1 3.78Å; F179-W235 HydrophobicContact CZ-CB 4.43Å; F179-W235 AromaticContact CZ-CD2 3.38Å; F179-W235 HydrophobicContact CZ-CD2 3.38Å; F179-W235 AromaticContact CZ-CE2 3.84Å; F179-W235 AromaticContact CZ-CE3 3.29Å; F179-W235 HydrophobicContact CZ-CE3 3.29Å; F179-W235 AromaticContact CZ-CG 3.9Å; F179-W235 HydrophobicContact CZ-CG 3.9Å; F179-W235 HydrophobicContact CZ-CH2 4.15Å; F179-W235 HydrophobicContact CZ-CZ2 4.21Å; F179-W235 AromaticContact CZ-CZ3 3.71Å; F179-W235 HydrophobicContact CZ-CZ3 3.71Å |
| 180 | D | 83.2 | Confident | 89.3 | Confident | 63 Ų | 63 | 31.4 Ų | 31.4 | 34% | 0.337 | 17% | 0.168 | S | C | . | . | I | π-helix | trans | -92.1 | -40.9 | -172.1 | -56 | -31.2 | 0 | 0 | 0 | 112 | E176 | E176-D180 CarbonylContact O-C 3.57Å; E176-D180 WeakPolarHBondContact O-CA 3.46Å; E176-D180 WeakPolarHBondContact O-CB 3.49Å; E176-D180 PolarHBondContact O-N 3.32Å |
| 181 | F | 86.7 | Confident | 88.9 | Confident | 111 Ų | 111 | 31.8 Ų | 31.8 | 49% | 0.487 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -115.6 | 16.3 | -172.2 | -54.1 | -59.2 | 0 | 0 | 0 | 114.7 | E176 S183 | E176-F181 HydrophobicContact CB-CD2 4.04Å; E176-F181 HydrophobicContact CB-CE2 4Å; E176-F181 WeakPolarHBondContact O-CD2 3.42Å; E176-F181 PolarHBondContact O-N 3.1Å; F181-S183 PolarHBondContact O-N 2.88Å |
| 182 | S | 84.6 | Confident | 88.5 | Confident | 8 Ų | 8 | 38.2 Ų | 38.2 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | trans | -66.9 | -36.8 | 179.2 | 43.8 | 0 | 0 | 0 | 0 | 113.1 | E177 V178 G184 Q185 M186 | E177-S182 PolarHBondContact O-N 2.84Å; V178-S182 WeakPolarHBondContact O-CB 3.17Å; V178-S182 PolarHBondContact O-OG 3.42Å; S182-G184 PolarHBondContact O-N 3.28Å; S182-Q185 PolarHBondContact O-N 3.15Å; S182-M186 WeakPolarHBondContact CB-SD 3.45Å; S182-M186 WeakPolarHBondContact O-CG 3.43Å; S182-M186 PolarHBondContact O-N 3.28Å; S182-M186 VanDerWaalsContact O-N 3.11Å | ||
| 183 | S | 81.1 | Confident | 88.2 | Confident | 78 Ų | 78 | 39.1 Ų | 39.1 | 55% | 0.545 | 20% | 0.204 | S | C | . | . | B | Isolated β-bridge | trans | -62 | 119.7 | -178.7 | -170.2 | 0 | 0 | 0 | 0 | 111.6 | F181 Q185 R1011 | F181-S183 PolarHBondContact O-N 2.88Å; S183-Q185 VanDerWaalsContact C-N 3.3Å; S183-Q185 PolarHBondContact O-N 2.76Å; S183-R1011 PolarHBondContact OG-NH1 2.94Å |
| 184 | G | 81.2 | Confident | 87.9 | Confident | 34 Ų | 34 | 38.4 Ų | 38.4 | 35% | 0.351 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S182 | S182-G184 PolarHBondContact O-N 3.28Š|
| 185 | Q | 83.9 | Confident | 87.6 | Confident | 82 Ų | 82 | 41.4 Ų | 41.4 | 38% | 0.383 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -26 | 171.8 | -65.7 | -159 | 9.5 | 0 | 0 | 113.6 | E177 S182 S183 | E177-Q185 PolarHBondContact OE2-OE1 2.93Å; S182-Q185 PolarHBondContact O-N 3.15Å; S183-Q185 VanDerWaalsContact C-N 3.3Å; S183-Q185 PolarHBondContact O-N 2.76Å |
| 186 | M | 86.1 | Confident | 87.5 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -135.4 | 155.4 | 176.9 | 54.4 | 179.2 | 81.3 | 0 | 0 | 109.5 | K139 E177 S182 K190 A191 L194 | K139-M186 HydrophobicContact CG-CE 4.47Å; E177-M186 WeakPolarHBondContact O-CE 3.41Å; S182-M186 WeakPolarHBondContact CB-SD 3.45Å; S182-M186 WeakPolarHBondContact O-CG 3.43Å; S182-M186 PolarHBondContact O-N 3.28Å; S182-M186 VanDerWaalsContact O-N 3.11Å; M186-K190 HydrophobicContact CB-CD 4.42Å; M186-A191 HydrophobicContact CG-CB 3.83Å; M186-A191 WeakPolarHBondContact SD-CA 3.05Å; M186-A191 HydrophobicContact SD-CB 3.55Å; M186-A191 VanDerWaalsContact SD-CB 3.55Å; M186-L194 HydrophobicContact CE-CD1 4.16Å; M186-L194 HydrophobicContact SD-CD1 3.97Å |
| 187 | T | 86.9 | Confident | 87.5 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 9% | 0.092 | 23% | 0.23 | C | C | . | . | trans | -66.3 | 150.8 | 175 | 60 | 0 | 0 | 0 | 0 | 111 | V189 K190 A191 D1012 V1015 Q1016 | T187-V189 VanDerWaalsContact C-N 3.32Å; T187-V189 PolarHBondContact O-N 3.37Å; T187-K190 PolarHBondContact O-N 2.96Å; T187-K190 VanDerWaalsContact OG1-CB 3.23Å; T187-K190 WeakPolarHBondContact OG1-CB 3.32Å; T187-A191 PolarHBondContact O-N 2.91Å; T187-D1012 WeakPolarHBondContact CA-OD1 3.39Å; T187-D1012 HydrophobicContact CG2-CB 4.29Å; T187-V1015 HydrophobicContact CG2-CB 4.42Å; T187-V1015 HydrophobicContact CG2-CG1 4.28Å; T187-Q1016 HydrophobicContact CG2-CG 3.89Å | ||
| 188 | Q | 86.6 | Confident | 87.5 | Confident | 73 Ų | 73 | 43.5 Ų | 43.5 | 34% | 0.341 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -50.5 | -46.9 | -179.8 | -68.7 | -172.6 | -51.2 | 0 | 0 | 113.5 | A191 K192 E1008 D1012 | Q188-A191 WeakPolarHBondContact O-CB 3.28Å; Q188-A191 PolarHBondContact O-N 2.91Å; Q188-K192 WeakPolarHBondContact O-CB 3.47Å; Q188-K192 PolarHBondContact O-N 2.96Å; Q188-E1008 VanDerWaalsContact CD-CB 3.49Å; Q188-E1008 HydrophobicContact CG-CB 4.31Å; Q188-E1008 VanDerWaalsContact NE2-CG 3.35Å; Q188-D1012 WeakPolarHBondContact CG-OD1 3.35Å; Q188-D1012 PolarHBondContact N-OD1 3.24Å |
| 189 | V | 86.8 | Confident | 87.5 | Confident | 23 Ų | 23 | 45.4 Ų | 45.4 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.8 | -44.4 | -175.9 | -170.9 | 0 | 0 | 0 | 0 | 111.1 | T187 A191 K192 H193 F1029 E1032 | T187-V189 VanDerWaalsContact C-N 3.32Å; T187-V189 PolarHBondContact O-N 3.37Å; V189-A191 VanDerWaalsContact C-N 3.33Å; V189-A191 PolarHBondContact O-N 3.12Å; V189-K192 PolarHBondContact O-N 2.97Å; V189-H193 WeakPolarHBondContact O-CB 3.47Å; V189-H193 PolarHBondContact O-N 3.41Å; V189-F1029 HydrophobicContact CB-CB 4.08Å; V189-F1029 HydrophobicContact CB-CD2 4.38Å; V189-F1029 HydrophobicContact CB-CG 4.43Å; V189-F1029 HydrophobicContact CG1-CB 3.34Å; V189-F1029 HydrophobicContact CG1-CD1 4.21Å; V189-F1029 HydrophobicContact CG1-CD2 3.89Å; V189-F1029 HydrophobicContact CG1-CG 3.57Å; V189-E1032 VanDerWaalsContact CG1-OE2 3.26Å; V189-E1032 WeakPolarHBondContact CG1-OE2 3.07Å |
| 190 | K | 87.7 | Confident | 87.7 | Confident | 20 Ų | 20 | 50 Ų | 50 | 9% | 0.087 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 172.6 | -167.4 | -175.8 | -167.9 | -172.4 | 0 | 111.9 | K139 M186 T187 H193 L194 | K139-K190 WeakPolarHBondContact O-CE 3.3Å; K139-K190 PolarHBondContact O-NZ 3.34Å; M186-K190 HydrophobicContact CB-CD 4.42Å; T187-K190 PolarHBondContact O-N 2.96Å; T187-K190 VanDerWaalsContact OG1-CB 3.23Å; T187-K190 WeakPolarHBondContact OG1-CB 3.32Å; K190-H193 PolarHBondContact O-N 2.94Å; K190-L194 HydrophobicContact CG-CD1 4.32Å; K190-L194 WeakPolarHBondContact O-CB 3.09Å; K190-L194 WeakPolarHBondContact O-CG 3.39Å; K190-L194 PolarHBondContact O-N 3.22Å |
| 191 | A | 88.4 | Confident | 88.1 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 7% | 0.066 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M186 T187 Q188 V189 L194 K195 | M186-A191 HydrophobicContact CG-CB 3.83Å; M186-A191 WeakPolarHBondContact SD-CA 3.05Å; M186-A191 HydrophobicContact SD-CB 3.55Å; M186-A191 VanDerWaalsContact SD-CB 3.55Å; T187-A191 PolarHBondContact O-N 2.91Å; Q188-A191 WeakPolarHBondContact O-CB 3.28Å; Q188-A191 PolarHBondContact O-N 2.91Å; V189-A191 VanDerWaalsContact C-N 3.33Å; V189-A191 PolarHBondContact O-N 3.12Å; A191-L194 PolarHBondContact O-N 2.94Å; A191-K195 WeakPolarHBondContact O-CB 3.41Å; A191-K195 WeakPolarHBondContact O-CG 3.42Å; A191-K195 PolarHBondContact O-N 3.37Å |
| 192 | K | 88.4 | Confident | 88.5 | Confident | 135 Ų | 135 | 44 Ų | 44 | 59% | 0.587 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -59.1 | -48.8 | 176.4 | -178.5 | 173.9 | 178.6 | 174.8 | 0 | 111.5 | Q188 V189 L194 K195 D196 | Q188-K192 WeakPolarHBondContact O-CB 3.47Å; Q188-K192 PolarHBondContact O-N 2.96Å; V189-K192 PolarHBondContact O-N 2.97Å; K192-L194 VanDerWaalsContact C-N 3.34Å; K192-L194 PolarHBondContact O-N 3.48Å; K192-K195 WeakPolarHBondContact O-CB 3.34Å; K192-K195 PolarHBondContact O-N 2.89Å; K192-K195 VanDerWaalsContact O-N 3.17Å; K192-D196 WeakPolarHBondContact O-CB 3.44Å; K192-D196 VanDerWaalsContact O-CG 3.28Å; K192-D196 PolarHBondContact O-N 2.86Å |
| 193 | H | 89.8 | Confident | 89 | Confident | 64 Ų | 64 | 45.7 Ų | 45.7 | 30% | 0.296 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 178.3 | -178.6 | -94.4 | 0 | 0 | 0 | 112.6 | P143 V189 K190 D196 S197 F1029 | P143-H193 VanDerWaalsContact CD-CE1 3.48Å; P143-H193 WeakPolarHBondContact CD-CE1 3.28Å; P143-H193 VanDerWaalsContact CG-CE1 3.46Å; P143-H193 WeakPolarHBondContact CG-CE1 3.34Å; V189-H193 WeakPolarHBondContact O-CB 3.47Å; V189-H193 PolarHBondContact O-N 3.41Å; K190-H193 PolarHBondContact O-N 2.94Å; H193-D196 PolarHBondContact O-N 2.93Å; H193-S197 VanDerWaalsContact O-CB 3.29Å; H193-S197 WeakPolarHBondContact O-CB 3.23Å; H193-S197 PolarHBondContact O-N 3.36Å; H193-S197 PolarHBondContact O-OG 3.17Å; H193-F1029 HydrophobicContact CB-CE1 4.38Å; H193-F1029 HydrophobicContact CB-CE2 4.3Å; H193-F1029 HydrophobicContact CB-CZ 3.86Å; H193-F1029 AromaticContact CD2-CE1 3.76Å; H193-F1029 AromaticContact CD2-CZ 3.71Å; H193-F1029 AromaticContact CG-CZ 3.55Å; H193-F1029 AromaticContact ND1-CZ 3.88Å |
| 194 | L | 89.4 | Confident | 89.6 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.9 | -39.9 | 176.3 | -70.7 | 175.5 | 0 | 0 | 0 | 112.2 | W142 V178 M186 K190 A191 K192 S197 M198 | W142-L194 HydrophobicContact CE3-CD2 3.53Å; W142-L194 HydrophobicContact CZ3-CB 4.41Å; W142-L194 HydrophobicContact CZ3-CD2 3.73Å; W142-L194 WeakPolarHBondContact O-CD2 3.5Å; V178-L194 HydrophobicContact CG1-CB 3.83Å; V178-L194 HydrophobicContact CG2-CB 4.14Å; V178-L194 HydrophobicContact CG2-CD1 4.36Å; M186-L194 HydrophobicContact CE-CD1 4.16Å; M186-L194 HydrophobicContact SD-CD1 3.97Å; K190-L194 HydrophobicContact CG-CD1 4.32Å; K190-L194 WeakPolarHBondContact O-CB 3.09Å; K190-L194 WeakPolarHBondContact O-CG 3.39Å; K190-L194 PolarHBondContact O-N 3.22Å; A191-L194 PolarHBondContact O-N 2.94Å; K192-L194 VanDerWaalsContact C-N 3.34Å; K192-L194 PolarHBondContact O-N 3.48Å; L194-S197 PolarHBondContact O-N 2.95Å; L194-M198 WeakPolarHBondContact O-CB 3.47Å; L194-M198 PolarHBondContact O-N 3.38Å |
| 195 | K | 90.8 | Very high | 90.3 | Very high | 63 Ų | 63 | 44 Ų | 44 | 27% | 0.274 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61 | -50.8 | 174.4 | -71.7 | 176.3 | -177.5 | -167.9 | 0 | 110.9 | V178 F179 A191 K192 S197 M198 C199 | V178-K195 HydrophobicContact CG1-CB 4.4Å; V178-K195 HydrophobicContact CG1-CG 3.65Å; V178-K195 WeakPolarHBondContact O-CE 3.27Å; F179-K195 HydrophobicContact CD1-CD 4.07Å; F179-K195 HydrophobicContact CD1-CG 3.83Å; F179-K195 HydrophobicContact CE1-CB 3.76Å; F179-K195 HydrophobicContact CE1-CD 4.05Å; F179-K195 HydrophobicContact CE1-CG 3.53Å; F179-K195 HydrophobicContact CE2-CG 4.3Å; F179-K195 HydrophobicContact CG-CG 4.36Å; F179-K195 HydrophobicContact CZ-CB 3.8Å; F179-K195 HydrophobicContact CZ-CG 3.79Å; A191-K195 WeakPolarHBondContact O-CB 3.41Å; A191-K195 WeakPolarHBondContact O-CG 3.42Å; A191-K195 PolarHBondContact O-N 3.37Å; K192-K195 WeakPolarHBondContact O-CB 3.34Å; K192-K195 PolarHBondContact O-N 2.89Å; K192-K195 VanDerWaalsContact O-N 3.17Å; K195-S197 VanDerWaalsContact C-N 3.33Å; K195-S197 PolarHBondContact O-N 3.28Å; K195-M198 PolarHBondContact O-N 3.48Å; K195-C199 WeakPolarHBondContact O-CB 3.48Å; K195-C199 PolarHBondContact O-N 2.69Å; K195-C199 PolarHBondContact O-SG 2.86Å |
| 196 | D | 91.6 | Very high | 90.9 | Very high | 77 Ų | 77 | 40.4 Ų | 40.4 | 41% | 0.412 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 179.8 | -67.1 | -15.7 | 0 | 0 | 0 | 110.9 | K192 H193 M198 C199 N200 | K192-D196 WeakPolarHBondContact O-CB 3.44Å; K192-D196 VanDerWaalsContact O-CG 3.28Å; K192-D196 PolarHBondContact O-N 2.86Å; H193-D196 PolarHBondContact O-N 2.93Å; D196-M198 PolarHBondContact O-N 3.16Å; D196-C199 PolarHBondContact O-N 3.18Å; D196-N200 WeakPolarHBondContact O-CB 3.33Å; D196-N200 PolarHBondContact O-N 2.73Å; D196-N200 PolarHBondContact O-ND2 3.43Å; D196-N200 VanDerWaalsContact O-ND2 3.16Å |
| 197 | S | 92.6 | Very high | 91.3 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 175.9 | -58.1 | 0 | 0 | 0 | 0 | 112 | P143 H193 L194 K195 N200 E201 | P143-S197 WeakPolarHBondContact CG-OG 3.45Å; H193-S197 VanDerWaalsContact O-CB 3.29Å; H193-S197 WeakPolarHBondContact O-CB 3.23Å; H193-S197 PolarHBondContact O-N 3.36Å; H193-S197 PolarHBondContact O-OG 3.17Å; L194-S197 PolarHBondContact O-N 2.95Å; K195-S197 VanDerWaalsContact C-N 3.33Å; K195-S197 PolarHBondContact O-N 3.28Å; S197-N200 PolarHBondContact O-N 2.8Å; S197-E201 PolarHBondContact O-N 3.37Å |
| 198 | M | 92.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.3 | -41 | -179.8 | -155.8 | 170.8 | 173.8 | 0 | 0 | 110.9 | W142 L174 F179 L194 K195 D196 E201 F202 I205 F232 W235 | W142-M198 HydrophobicContact CH2-CB 3.74Å; W142-M198 HydrophobicContact CH2-CG 4.19Å; W142-M198 HydrophobicContact CZ3-CB 4.49Å; L174-M198 HydrophobicContact CD2-CE 4.5Å; L174-M198 HydrophobicContact CG-SD 4.42Å; F179-M198 HydrophobicContact CD2-SD 4.32Å; F179-M198 HydrophobicContact CE2-CB 4.04Å; F179-M198 HydrophobicContact CE2-CG 4.34Å; F179-M198 HydrophobicContact CE2-SD 3.71Å; F179-M198 HydrophobicContact CZ-CB 4.34Å; L194-M198 WeakPolarHBondContact O-CB 3.47Å; L194-M198 PolarHBondContact O-N 3.38Å; K195-M198 PolarHBondContact O-N 3.48Å; D196-M198 PolarHBondContact O-N 3.16Å; M198-E201 PolarHBondContact O-N 2.91Å; M198-F202 WeakPolarHBondContact O-CA 3.42Å; M198-F202 VanDerWaalsContact O-CB 3.3Å; M198-F202 WeakPolarHBondContact O-CB 3.36Å; M198-F202 PolarHBondContact O-N 2.73Å; M198-I205 HydrophobicContact CE-CD1 4.42Å; M198-F232 HydrophobicContact CE-CE1 3.68Å; M198-F232 HydrophobicContact CE-CZ 4.38Å; M198-W235 HydrophobicContact CB-CH2 4.24Å; M198-W235 HydrophobicContact CE-CH2 4.14Å; M198-W235 HydrophobicContact CE-CZ2 3.75Å; M198-W235 HydrophobicContact CG-CH2 3.73Å; M198-W235 HydrophobicContact CG-CZ2 4.18Å; M198-W235 HydrophobicContact SD-CH2 4Å; M198-W235 HydrophobicContact SD-CZ2 3.8Å |
| 199 | C | 91 | Very high | 92.2 | Very high | 39 Ų | 39 | 41.4 Ų | 41.4 | 26% | 0.264 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60 | -43.9 | 173.9 | -72.6 | 0 | 0 | 0 | 0 | 112.2 | K195 D196 E201 F202 | K195-C199 WeakPolarHBondContact O-CB 3.48Å; K195-C199 PolarHBondContact O-N 2.69Å; K195-C199 PolarHBondContact O-SG 2.86Å; D196-C199 PolarHBondContact O-N 3.18Å; C199-E201 VanDerWaalsContact C-N 3.35Å; C199-E201 PolarHBondContact O-N 3.46Å; C199-F202 WeakPolarHBondContact O-CB 3.13Å; C199-F202 PolarHBondContact O-N 3.13Å |
| 200 | N | 91.9 | Very high | 92.6 | Very high | 132 Ų | 132 | 43.1 Ų | 43.1 | 71% | 0.706 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -63 | -39.9 | -179.2 | -72.4 | -24.3 | 0 | 0 | 0 | 112.4 | D196 S197 | D196-N200 WeakPolarHBondContact O-CB 3.33Å; D196-N200 PolarHBondContact O-N 2.73Å; D196-N200 PolarHBondContact O-ND2 3.43Å; D196-N200 VanDerWaalsContact O-ND2 3.16Å; S197-N200 PolarHBondContact O-N 2.8Å |
| 201 | E | 93 | Very high | 92.9 | Very high | 48 Ų | 48 | 46.6 Ų | 46.6 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -93.6 | -2.4 | -178.5 | -65.4 | -178.8 | -157.9 | 0 | 0 | 113.4 | I150 S197 M198 C199 S203 Q204 | I150-E201 HydrophobicContact CB-CB 4.37Å; I150-E201 WeakPolarHBondContact CB-OE2 3.31Å; I150-E201 HydrophobicContact CG1-CB 4.2Å; I150-E201 WeakPolarHBondContact CG1-OE2 3.43Å; I150-E201 HydrophobicContact CG2-CB 4.26Å; S197-E201 PolarHBondContact O-N 3.37Å; M198-E201 PolarHBondContact O-N 2.91Å; C199-E201 VanDerWaalsContact C-N 3.35Å; C199-E201 PolarHBondContact O-N 3.46Å; E201-S203 PolarHBondContact O-N 3.19Å; E201-S203 VanDerWaalsContact O-N 3.12Å; E201-Q204 PolarHBondContact O-N 3.45Å |
| 202 | F | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.2 | -31.5 | -172.2 | -173.5 | -109 | 0 | 0 | 0 | 113.7 | M198 C199 Q204 I205 F206 F232 W235 I236 Y240 | M198-F202 WeakPolarHBondContact O-CA 3.42Å; M198-F202 VanDerWaalsContact O-CB 3.3Å; M198-F202 WeakPolarHBondContact O-CB 3.36Å; M198-F202 PolarHBondContact O-N 2.73Å; C199-F202 WeakPolarHBondContact O-CB 3.13Å; C199-F202 PolarHBondContact O-N 3.13Å; F202-Q204 PolarHBondContact O-N 3.29Å; F202-Q204 VanDerWaalsContact O-N 3.15Å; F202-I205 HydrophobicContact CD2-CB 4.24Å; F202-I205 HydrophobicContact CD2-CD1 4.25Å; F202-I205 HydrophobicContact CE2-CB 4.37Å; F202-I205 HydrophobicContact CE2-CG2 4.27Å; F202-I205 WeakPolarHBondContact O-CB 3.44Å; F202-I205 PolarHBondContact O-N 2.92Å; F202-F206 HydrophobicContact CD1-CB 4.18Å; F202-F206 HydrophobicContact CE1-CB 3.73Å; F202-F206 AromaticContact CE1-CD2 3.87Å; F202-F206 HydrophobicContact CE1-CD2 3.87Å; F202-F206 HydrophobicContact CE1-CG 4.15Å; F202-F206 HydrophobicContact CZ-CB 4.14Å; F202-F206 HydrophobicContact CZ-CD2 4.14Å; F202-F206 PolarHBondContact O-N 3.19Å; F202-F232 HydrophobicContact CE2-CB 4.16Å; F202-F232 HydrophobicContact CE2-CD1 4.05Å; F202-F232 AromaticContact CE2-CD2 3.58Å; F202-F232 HydrophobicContact CE2-CD2 3.58Å; F202-F232 HydrophobicContact CE2-CE1 4.28Å; F202-F232 AromaticContact CE2-CE2 3.83Å; F202-F232 HydrophobicContact CE2-CE2 3.83Å; F202-F232 AromaticContact CE2-CG 3.69Å; F202-F232 HydrophobicContact CE2-CG 3.69Å; F202-F232 HydrophobicContact CE2-CZ 4.17Å; F202-F232 HydrophobicContact CZ-CB 4.08Å; F202-F232 AromaticContact CZ-CD2 3.82Å; F202-F232 HydrophobicContact CZ-CD2 3.82Å; F202-F232 HydrophobicContact CZ-CE2 4.39Å; F202-F232 HydrophobicContact CZ-CG 4.03Å; F202-W235 HydrophobicContact CB-CH2 4.49Å; F202-W235 AromaticContact CD2-CH2 3.51Å; F202-W235 HydrophobicContact CD2-CH2 3.51Å; F202-W235 HydrophobicContact CD2-CZ2 4.24Å; F202-W235 HydrophobicContact CD2-CZ3 4.19Å; F202-W235 HydrophobicContact CE2-CH2 4Å; F202-W235 HydrophobicContact CE2-CZ2 4.33Å; F202-W235 HydrophobicContact CG-CH2 4.12Å; F202-W235 HydrophobicContact CG-CZ3 4.37Å; F202-I236 HydrophobicContact CD1-CB 4.28Å; F202-I236 HydrophobicContact CD1-CG2 3.8Å; F202-I236 HydrophobicContact CD2-CG2 4.03Å; F202-I236 HydrophobicContact CE1-CB 3.86Å; F202-I236 HydrophobicContact CE1-CD1 4.01Å; F202-I236 HydrophobicContact CE1-CG2 3.36Å; F202-I236 HydrophobicContact CE2-CG2 3.62Å; F202-I236 HydrophobicContact CG-CG2 4.13Å; F202-I236 HydrophobicContact CZ-CB 4.22Å; F202-I236 HydrophobicContact CZ-CD1 4.15Å; F202-I236 HydrophobicContact CZ-CG2 3.29Å; F202-Y240 AromaticContact CD1-CD2 3.9Å; F202-Y240 HydrophobicContact CD1-CD2 3.9Å; F202-Y240 AromaticContact CD1-CE2 3.83Å; F202-Y240 HydrophobicContact CD1-CE2 3.83Å; F202-Y240 HydrophobicContact CD1-CG 4.31Å; F202-Y240 HydrophobicContact CE1-CD2 4.1Å; F202-Y240 HydrophobicContact CE1-CE2 4.47Å; F202-Y240 HydrophobicContact CE1-CG 4.16Å |
| 203 | S | 94.6 | Very high | 93.7 | Very high | 43 Ų | 43 | 40.2 Ų | 40.2 | 30% | 0.301 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -52.7 | -38.6 | 179.7 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | E201 Q207 Y240 | E201-S203 PolarHBondContact O-N 3.19Å; E201-S203 VanDerWaalsContact O-N 3.12Å; S203-Q207 VanDerWaalsContact O-CG 3.27Å; S203-Q207 WeakPolarHBondContact O-CG 3.49Å; S203-Q207 PolarHBondContact O-N 3.45Å; S203-Y240 WeakPolarHBondContact CB-OH 3.49Å |
| 204 | Q | 94.6 | Very high | 93.8 | Very high | 75 Ų | 75 | 40.4 Ų | 40.4 | 35% | 0.35 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -69.9 | -39.8 | 178.9 | -62.4 | -174.6 | 18 | 0 | 0 | 111.7 | I150 V154 E201 F202 Q207 L208 | I150-Q204 HydrophobicContact CG2-CB 4.25Å; V154-Q204 HydrophobicContact CG2-CB 4.39Å; E201-Q204 PolarHBondContact O-N 3.45Å; F202-Q204 PolarHBondContact O-N 3.29Å; F202-Q204 VanDerWaalsContact O-N 3.15Å; Q204-Q207 PolarHBondContact O-N 3.36Å; Q204-L208 PolarHBondContact O-N 3.35Å; Q204-L208 VanDerWaalsContact O-N 3.13Å |
| 205 | I | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.1 | -46.4 | 176.7 | -57.3 | 169.5 | 0 | 0 | 0 | 109.6 | I150 L171 M198 F202 Q207 L208 C209 F232 | I150-I205 HydrophobicContact CD1-CD1 4Å; I150-I205 HydrophobicContact CG2-CD1 4.25Å; I150-I205 HydrophobicContact CG2-CG1 3.8Å; L171-I205 HydrophobicContact CD1-CG2 3.95Å; L171-I205 HydrophobicContact CD2-CD1 4.09Å; L171-I205 HydrophobicContact CD2-CG1 4.41Å; M198-I205 HydrophobicContact CE-CD1 4.42Å; F202-I205 HydrophobicContact CD2-CB 4.24Å; F202-I205 HydrophobicContact CD2-CD1 4.25Å; F202-I205 HydrophobicContact CE2-CB 4.37Å; F202-I205 HydrophobicContact CE2-CG2 4.27Å; F202-I205 WeakPolarHBondContact O-CB 3.44Å; F202-I205 PolarHBondContact O-N 2.92Å; I205-Q207 VanDerWaalsContact C-N 3.34Å; I205-Q207 PolarHBondContact O-N 3.17Å; I205-L208 WeakPolarHBondContact O-CA 3.46Å; I205-L208 WeakPolarHBondContact O-CB 3.44Å; I205-L208 PolarHBondContact O-N 2.8Å; I205-C209 PolarHBondContact O-N 2.94Å; I205-C209 PolarHBondContact O-SG 3.03Å; I205-C209 VanDerWaalsContact O-SG 3.4Å; I205-F232 HydrophobicContact CG2-CE2 3.55Å; I205-F232 HydrophobicContact CG2-CZ 3.68Å |
| 206 | F | 96.1 | Very high | 94.2 | Very high | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 179.2 | -172.6 | -98.9 | 0 | 0 | 0 | 112.1 | F202 L208 C209 Q210 Y240 T244 L246 | F202-F206 HydrophobicContact CD1-CB 4.18Å; F202-F206 HydrophobicContact CE1-CB 3.73Å; F202-F206 AromaticContact CE1-CD2 3.87Å; F202-F206 HydrophobicContact CE1-CD2 3.87Å; F202-F206 HydrophobicContact CE1-CG 4.15Å; F202-F206 HydrophobicContact CZ-CB 4.14Å; F202-F206 HydrophobicContact CZ-CD2 4.14Å; F202-F206 PolarHBondContact O-N 3.19Å; F206-L208 VanDerWaalsContact C-N 3.28Å; F206-L208 PolarHBondContact O-N 3.13Å; F206-C209 PolarHBondContact O-N 3.44Å; F206-Q210 WeakPolarHBondContact O-CB 3.49Å; F206-Q210 PolarHBondContact O-N 2.99Å; F206-Y240 HydrophobicContact CB-CD1 4.18Å; F206-Y240 HydrophobicContact CB-CE1 4.35Å; F206-Y240 AromaticContact CD1-CD1 3.62Å; F206-Y240 HydrophobicContact CD1-CD1 3.62Å; F206-Y240 HydrophobicContact CD1-CE1 4.21Å; F206-Y240 HydrophobicContact CD2-CD1 4.2Å; F206-Y240 HydrophobicContact CD2-CG 4.43Å; F206-Y240 HydrophobicContact CE1-CD1 4.01Å; F206-Y240 AromaticContact CG-CD1 3.71Å; F206-Y240 HydrophobicContact CG-CD1 3.71Å; F206-Y240 HydrophobicContact CG-CE1 4.32Å; F206-Y240 HydrophobicContact CG-CG 4.37Å; F206-Y240 HydrophobicContact CZ-CD1 4.45Å; F206-Y240 WeakPolarHBondContact CZ-O 3.17Å; F206-T244 HydrophobicContact CE1-CG2 3.95Å; F206-T244 HydrophobicContact CZ-CG2 4.12Å; F206-L246 HydrophobicContact CE2-CD2 4.35Å |
| 207 | Q | 95.1 | Very high | 94.3 | Very high | 116 Ų | 116 | 48.6 Ų | 48.6 | 54% | 0.542 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.1 | -36.7 | 173.9 | -74.6 | 173.4 | 11.7 | 0 | 0 | 112.4 | S203 Q204 I205 F211 | S203-Q207 VanDerWaalsContact O-CG 3.27Å; S203-Q207 WeakPolarHBondContact O-CG 3.49Å; S203-Q207 PolarHBondContact O-N 3.45Å; Q204-Q207 PolarHBondContact O-N 3.36Å; I205-Q207 VanDerWaalsContact C-N 3.34Å; I205-Q207 PolarHBondContact O-N 3.17Å; Q207-F211 VanDerWaalsContact O-CB 3.25Å; Q207-F211 WeakPolarHBondContact O-CB 3.24Å; Q207-F211 PolarHBondContact O-N 3.34Å |
| 208 | L | 96.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.2 | -47.3 | 173.7 | -178.6 | 68.1 | 0 | 0 | 0 | 111.2 | V154 M168 Q204 I205 F206 Q210 F211 V212 | V154-L208 HydrophobicContact CG1-CB 4.29Å; V154-L208 HydrophobicContact CG2-CD2 4.18Å; M168-L208 HydrophobicContact CE-CB 4.4Å; M168-L208 HydrophobicContact CE-CD2 3.47Å; M168-L208 VanDerWaalsContact CE-CD2 3.47Å; M168-L208 HydrophobicContact CE-CG 3.51Å; Q204-L208 PolarHBondContact O-N 3.35Å; Q204-L208 VanDerWaalsContact O-N 3.13Å; I205-L208 WeakPolarHBondContact O-CA 3.46Å; I205-L208 WeakPolarHBondContact O-CB 3.44Å; I205-L208 PolarHBondContact O-N 2.8Å; F206-L208 VanDerWaalsContact C-N 3.28Å; F206-L208 PolarHBondContact O-N 3.13Å; L208-Q210 VanDerWaalsContact C-N 3.34Å; L208-Q210 PolarHBondContact O-N 3.19Å; L208-F211 PolarHBondContact O-N 2.68Å; L208-V212 HydrophobicContact CD1-CG2 4.43Å; L208-V212 WeakPolarHBondContact O-CG2 3.28Å; L208-V212 PolarHBondContact O-N 3.08Å |
| 209 | C | 96.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.8 | -46.9 | 176.3 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | I205 F206 F211 V212 M213 T225 | I205-C209 PolarHBondContact O-N 2.94Å; I205-C209 PolarHBondContact O-SG 3.03Å; I205-C209 VanDerWaalsContact O-SG 3.4Å; F206-C209 PolarHBondContact O-N 3.44Å; C209-F211 PolarHBondContact O-N 3.3Å; C209-V212 PolarHBondContact O-N 2.92Å; C209-M213 HydrophobicContact CB-CE 4.32Å; C209-M213 WeakPolarHBondContact O-CB 3.48Å; C209-M213 VanDerWaalsContact O-CG 3.29Å; C209-M213 WeakPolarHBondContact O-CG 3.49Å; C209-M213 PolarHBondContact O-N 3.29Å; C209-T225 HydrophobicContact CB-CG2 4Å |
| 210 | Q | 94.7 | Very high | 94.5 | Very high | 60 Ų | 60 | 53.1 Ų | 53.1 | 28% | 0.28 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 177.4 | -171.8 | 177.7 | -2.6 | 0 | 0 | 111.4 | F206 L208 V212 M213 E214 | F206-Q210 WeakPolarHBondContact O-CB 3.49Å; F206-Q210 PolarHBondContact O-N 2.99Å; L208-Q210 VanDerWaalsContact C-N 3.34Å; L208-Q210 PolarHBondContact O-N 3.19Å; Q210-V212 PolarHBondContact O-N 3.04Å; Q210-M213 PolarHBondContact O-N 3.36Å; Q210-E214 HydrophobicContact CG-CG 4.26Å; Q210-E214 WeakPolarHBondContact CG-OE1 3.42Å; Q210-E214 PolarHBondContact NE2-OE1 2.66Å; Q210-E214 VanDerWaalsContact O-CB 3.28Å; Q210-E214 WeakPolarHBondContact O-CB 3.47Å; Q210-E214 VanDerWaalsContact O-CG 3.31Å; Q210-E214 WeakPolarHBondContact O-CG 3.44Å; Q210-E214 PolarHBondContact O-N 2.94Å |
| 211 | F | 94.6 | Very high | 94.7 | Very high | 92 Ų | 92 | 47 Ų | 47 | 40% | 0.404 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 176.4 | 173.7 | -100.1 | 0 | 0 | 0 | 112.1 | Q207 L208 C209 E214 N215 | Q207-F211 VanDerWaalsContact O-CB 3.25Å; Q207-F211 WeakPolarHBondContact O-CB 3.24Å; Q207-F211 PolarHBondContact O-N 3.34Å; L208-F211 PolarHBondContact O-N 2.68Å; C209-F211 PolarHBondContact O-N 3.3Å; F211-E214 PolarHBondContact O-N 3.06Å; F211-N215 WeakPolarHBondContact CD2-ND2 3.44Å; F211-N215 HydrophobicContact CE2-CB 4.36Å; F211-N215 WeakPolarHBondContact O-CB 3.3Å; F211-N215 PolarHBondContact O-N 2.88Å; F211-N215 PolarHBondContact O-ND2 3.48Å |
| 212 | V | 96.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.6 | -48.1 | 178.5 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | M168 L208 C209 Q210 E214 N215 S216 L221 T225 | M168-V212 HydrophobicContact CE-CG2 4.16Å; L208-V212 HydrophobicContact CD1-CG2 4.43Å; L208-V212 WeakPolarHBondContact O-CG2 3.28Å; L208-V212 PolarHBondContact O-N 3.08Å; C209-V212 PolarHBondContact O-N 2.92Å; Q210-V212 PolarHBondContact O-N 3.04Å; V212-E214 VanDerWaalsContact C-N 3.27Å; V212-E214 PolarHBondContact O-N 2.97Å; V212-N215 PolarHBondContact O-N 2.88Å; V212-S216 WeakPolarHBondContact O-CB 3.42Å; V212-S216 PolarHBondContact O-N 3.43Å; V212-L221 HydrophobicContact CG1-CD1 4.05Å; V212-L221 HydrophobicContact CG1-CD2 4.03Å; V212-L221 HydrophobicContact CG1-CG 3.68Å; V212-T225 HydrophobicContact CB-CG2 4.37Å; V212-T225 HydrophobicContact CG1-CG2 4.32Å; V212-T225 WeakPolarHBondContact CG1-OG1 3.34Å |
| 213 | M | 95.8 | Very high | 95 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.7 | -32.4 | 178.6 | -73.6 | -171.7 | -64.6 | 0 | 0 | 112.9 | C209 Q210 T225 L226 L229 L246 T249 F254 | C209-M213 HydrophobicContact CB-CE 4.32Å; C209-M213 WeakPolarHBondContact O-CB 3.48Å; C209-M213 VanDerWaalsContact O-CG 3.29Å; C209-M213 WeakPolarHBondContact O-CG 3.49Å; C209-M213 PolarHBondContact O-N 3.29Å; Q210-M213 PolarHBondContact O-N 3.36Å; M213-T225 HydrophobicContact CG-CG2 4.17Å; M213-L226 HydrophobicContact CG-CD2 4.47Å; M213-L226 HydrophobicContact SD-CD2 3.87Å; M213-L229 HydrophobicContact CE-CD2 4.49Å; M213-L229 HydrophobicContact SD-CD2 4.2Å; M213-L246 HydrophobicContact CE-CD1 3.75Å; M213-L246 HydrophobicContact SD-CD1 4.48Å; M213-T249 HydrophobicContact CB-CG2 4.32Å; M213-F254 HydrophobicContact CB-CE2 3.82Å; M213-F254 HydrophobicContact CB-CZ 3.81Å; M213-F254 HydrophobicContact CG-CE2 3.83Å; M213-F254 HydrophobicContact CG-CZ 4.04Å; M213-F254 WeakPolarHBondContact O-CZ 3.38Å; M213-F254 HydrophobicContact SD-CE2 4.03Å |
| 214 | E | 93.6 | Very high | 95.1 | Very high | 67 Ų | 67 | 46.8 Ų | 46.8 | 31% | 0.313 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -82.5 | -33.9 | -179 | -73.5 | 180 | -176 | 0 | 0 | 113.2 | Q210 F211 V212 K253 | Q210-E214 HydrophobicContact CG-CG 4.26Å; Q210-E214 WeakPolarHBondContact CG-OE1 3.42Å; Q210-E214 PolarHBondContact NE2-OE1 2.66Å; Q210-E214 VanDerWaalsContact O-CB 3.28Å; Q210-E214 WeakPolarHBondContact O-CB 3.47Å; Q210-E214 VanDerWaalsContact O-CG 3.31Å; Q210-E214 WeakPolarHBondContact O-CG 3.44Å; Q210-E214 PolarHBondContact O-N 2.94Å; F211-E214 PolarHBondContact O-N 3.06Å; V212-E214 VanDerWaalsContact C-N 3.27Å; V212-E214 PolarHBondContact O-N 2.97Å; E214-K253 PolarHBondContact O-NZ 3.19Å |
| 215 | N | 93.8 | Very high | 95.2 | Very high | 98 Ų | 98 | 43.2 Ų | 43.2 | 52% | 0.524 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -120.3 | -27.9 | -164.4 | -57.2 | -77.8 | 0 | 0 | 0 | 115.6 | F211 V212 | F211-N215 WeakPolarHBondContact CD2-ND2 3.44Å; F211-N215 HydrophobicContact CE2-CB 4.36Å; F211-N215 WeakPolarHBondContact O-CB 3.3Å; F211-N215 PolarHBondContact O-N 2.88Å; F211-N215 PolarHBondContact O-ND2 3.48Å; V212-N215 PolarHBondContact O-N 2.88Å |
| 216 | S | 93.8 | Very high | 95.4 | Very high | 24 Ų | 24 | 43.2 Ų | 43.2 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | trans | -79.2 | 143.6 | -175.5 | -174 | 0 | 0 | 0 | 0 | 111.7 | E161 V212 N218 | E161-S216 PolarHBondContact OE1-OG 3.33Å; V212-S216 WeakPolarHBondContact O-CB 3.42Å; V212-S216 PolarHBondContact O-N 3.43Å; S216-N218 WeakPolarHBondContact OG-CB 3.31Å; S216-N218 PolarHBondContact OG-N 3.41Å | ||
| 217 | Q | 93.3 | Very high | 95.4 | Very high | 194 Ų | 194 | 44.9 Ų | 44.9 | 91% | 0.907 | 23% | 0.23 | S | C | * | . | trans | -106.8 | 0.7 | 173.2 | -60.8 | -179.6 | 10.8 | 0 | 0 | 111.9 | A219 | Q217-A219 PolarHBondContact O-N 3.5Š| ||
| 218 | N | 94 | Very high | 95.5 | Very high | 43 Ų | 43 | 39.4 Ų | 39.4 | 23% | 0.23 | 20% | 0.204 | C | C | . | . | trans | -79.7 | 103.9 | -178.6 | -174.8 | -38.9 | 0 | 0 | 0 | 110 | E161 S216 P220 L221 V222 | E161-N218 VanDerWaalsContact OE2-CB 3.28Å; E161-N218 WeakPolarHBondContact OE2-CB 3.49Å; E161-N218 PolarHBondContact OE2-ND2 2.96Å; S216-N218 WeakPolarHBondContact OG-CB 3.31Å; S216-N218 PolarHBondContact OG-N 3.41Å; N218-P220 VanDerWaalsContact OD1-CD 3.26Å; N218-P220 WeakPolarHBondContact OD1-CD 3.24Å; N218-L221 HydrophobicContact CB-CB 4Å; N218-L221 PolarHBondContact O-N 3.22Å; N218-L221 PolarHBondContact OD1-N 3.39Å; N218-V222 WeakPolarHBondContact O-CG2 3.18Å; N218-V222 PolarHBondContact O-N 3.11Å | ||
| 219 | A | 94.7 | Very high | 95.6 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 26% | 0.256 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.5 | -46.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q217 L221 V222 H223 M259 F260 | Q217-A219 PolarHBondContact O-N 3.5Å; A219-L221 VanDerWaalsContact C-N 3.32Å; A219-L221 PolarHBondContact O-N 3.21Å; A219-V222 PolarHBondContact O-N 3.12Å; A219-H223 WeakPolarHBondContact O-CB 3.34Å; A219-H223 PolarHBondContact O-N 3.11Å; A219-M259 HydrophobicContact CB-SD 3.6Å; A219-F260 HydrophobicContact CB-CE1 4.44Å; A219-F260 HydrophobicContact CB-CZ 3.87Å; A219-F260 WeakPolarHBondContact O-CE1 3.46Å |
| 220 | P | 93.1 | Very high | 95.6 | Very high | 72 Ų | 72 | 39.7 Ų | 39.7 | 47% | 0.468 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -54.9 | -42.2 | 172.5 | -29.3 | 34.7 | 0 | 0 | 0 | 114.3 | N218 H223 A224 | N218-P220 VanDerWaalsContact OD1-CD 3.26Å; N218-P220 WeakPolarHBondContact OD1-CD 3.24Å; P220-H223 PolarHBondContact O-N 2.96Å; P220-A224 WeakPolarHBondContact O-CB 3.46Å; P220-A224 PolarHBondContact O-N 3.01Å |
| 221 | L | 95.2 | Very high | 95.7 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.9 | -46 | 176.7 | 168.5 | 58.1 | 0 | 0 | 0 | 112 | E161 C164 Q165 M168 V212 N218 A219 H223 A224 T225 | E161-L221 HydrophobicContact CB-CD2 4.05Å; E161-L221 HydrophobicContact CG-CD2 4.17Å; C164-L221 HydrophobicContact CB-CD1 3.96Å; C164-L221 HydrophobicContact CB-CD2 4.18Å; Q165-L221 HydrophobicContact CB-CB 4.16Å; Q165-L221 HydrophobicContact CB-CD1 3.99Å; M168-L221 HydrophobicContact CG-CD1 4.33Å; V212-L221 HydrophobicContact CG1-CD1 4.05Å; V212-L221 HydrophobicContact CG1-CD2 4.03Å; V212-L221 HydrophobicContact CG1-CG 3.68Å; N218-L221 HydrophobicContact CB-CB 4Å; N218-L221 PolarHBondContact O-N 3.22Å; N218-L221 PolarHBondContact OD1-N 3.39Å; A219-L221 VanDerWaalsContact C-N 3.32Å; A219-L221 PolarHBondContact O-N 3.21Å; L221-H223 VanDerWaalsContact C-N 3.33Å; L221-H223 PolarHBondContact O-N 3.45Å; L221-A224 PolarHBondContact O-N 3.08Å; L221-T225 WeakPolarHBondContact O-CB 3.49Å; L221-T225 PolarHBondContact O-N 3.23Å; L221-T225 PolarHBondContact O-OG1 2.9Å |
| 222 | V | 97.5 | Very high | 95.7 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.024 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.2 | -45.7 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 110.2 | N218 A219 A224 T225 L226 F254 F260 | N218-V222 WeakPolarHBondContact O-CG2 3.18Å; N218-V222 PolarHBondContact O-N 3.11Å; A219-V222 PolarHBondContact O-N 3.12Å; V222-A224 PolarHBondContact O-N 3.42Å; V222-T225 WeakPolarHBondContact O-CB 3.39Å; V222-T225 PolarHBondContact O-N 3.39Å; V222-L226 HydrophobicContact CG1-CD1 4.1Å; V222-L226 HydrophobicContact CG1-CG 4.44Å; V222-L226 WeakPolarHBondContact O-CG 3.26Å; V222-L226 PolarHBondContact O-N 2.85Å; V222-F254 HydrophobicContact CG1-CD1 4.01Å; V222-F254 HydrophobicContact CG1-CE1 3.52Å; V222-F254 HydrophobicContact CG1-CZ 4.01Å; V222-F260 HydrophobicContact CB-CE1 4.07Å; V222-F260 HydrophobicContact CB-CZ 3.88Å; V222-F260 HydrophobicContact CG1-CD1 4.28Å; V222-F260 HydrophobicContact CG1-CD2 4.44Å; V222-F260 HydrophobicContact CG1-CE1 3.85Å; V222-F260 HydrophobicContact CG1-CE2 4.03Å; V222-F260 HydrophobicContact CG1-CZ 3.71Å |
| 223 | H | 96.2 | Very high | 95.6 | Very high | 72 Ų | 72 | 36.4 Ų | 36.4 | 33% | 0.333 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 176.9 | -168.5 | -75.3 | 0 | 0 | 0 | 111.9 | A219 P220 L221 T225 L226 E227 F260 | A219-H223 WeakPolarHBondContact O-CB 3.34Å; A219-H223 PolarHBondContact O-N 3.11Å; P220-H223 PolarHBondContact O-N 2.96Å; L221-H223 VanDerWaalsContact C-N 3.33Å; L221-H223 PolarHBondContact O-N 3.45Å; H223-T225 VanDerWaalsContact C-N 3.25Å; H223-T225 PolarHBondContact O-N 3.33Å; H223-L226 PolarHBondContact O-N 3.47Å; H223-E227 IonicContact CE1-OE1 2.99Å; H223-E227 PolarHBondContact O-N 2.69Å; H223-F260 HydrophobicContact CB-CD1 4.28Å; H223-F260 HydrophobicContact CB-CE1 3.97Å |
| 224 | A | 96 | Very high | 95.3 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 10% | 0.099 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60 | -37.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q165 M168 I169 P220 L221 V222 T228 | Q165-A224 HydrophobicContact CG-CB 4.03Å; M168-A224 HydrophobicContact CB-CB 4.3Å; I169-A224 HydrophobicContact CG1-CB 4.36Å; P220-A224 WeakPolarHBondContact O-CB 3.46Å; P220-A224 PolarHBondContact O-N 3.01Å; L221-A224 PolarHBondContact O-N 3.08Å; V222-A224 PolarHBondContact O-N 3.42Å; A224-T228 WeakPolarHBondContact O-CB 3.12Å; A224-T228 PolarHBondContact O-N 3Å; A224-T228 PolarHBondContact O-OG1 3.13Å |
| 225 | T | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.3 | -42.3 | 176.6 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | M168 C209 V212 M213 L221 V222 H223 T228 L229 | M168-T225 HydrophobicContact CE-CG2 4.26Å; M168-T225 HydrophobicContact SD-CG2 4.21Å; C209-T225 HydrophobicContact CB-CG2 4Å; V212-T225 HydrophobicContact CB-CG2 4.37Å; V212-T225 HydrophobicContact CG1-CG2 4.32Å; V212-T225 WeakPolarHBondContact CG1-OG1 3.34Å; M213-T225 HydrophobicContact CG-CG2 4.17Å; L221-T225 WeakPolarHBondContact O-CB 3.49Å; L221-T225 PolarHBondContact O-N 3.23Å; L221-T225 PolarHBondContact O-OG1 2.9Å; V222-T225 WeakPolarHBondContact O-CB 3.39Å; V222-T225 PolarHBondContact O-N 3.39Å; H223-T225 VanDerWaalsContact C-N 3.25Å; H223-T225 PolarHBondContact O-N 3.33Å; T225-T228 PolarHBondContact O-N 3.46Å; T225-L229 WeakPolarHBondContact O-CB 3.5Å; T225-L229 PolarHBondContact O-N 3.13Å |
| 226 | L | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.2 | -41.2 | 177.4 | -67.4 | 174 | 0 | 0 | 0 | 112.2 | M213 V222 H223 T228 L229 L230 L250 F254 F260 V263 | M213-L226 HydrophobicContact CG-CD2 4.47Å; M213-L226 HydrophobicContact SD-CD2 3.87Å; V222-L226 HydrophobicContact CG1-CD1 4.1Å; V222-L226 HydrophobicContact CG1-CG 4.44Å; V222-L226 WeakPolarHBondContact O-CG 3.26Å; V222-L226 PolarHBondContact O-N 2.85Å; H223-L226 PolarHBondContact O-N 3.47Å; L226-T228 VanDerWaalsContact C-N 3.27Å; L226-T228 PolarHBondContact O-N 3.39Å; L226-L229 WeakPolarHBondContact O-CB 3.47Å; L226-L229 PolarHBondContact O-N 3.08Å; L226-L230 PolarHBondContact O-N 3.18Å; L226-L250 HydrophobicContact CD2-CD2 3.63Å; L226-F254 HydrophobicContact CD1-CB 4.21Å; L226-F254 HydrophobicContact CD1-CD1 4.42Å; L226-F254 HydrophobicContact CD1-CD2 4.28Å; L226-F254 HydrophobicContact CD1-CG 4.06Å; L226-F254 HydrophobicContact CD2-CD2 3.93Å; L226-F254 HydrophobicContact CD2-CE2 4.16Å; L226-F260 HydrophobicContact CD1-CB 4.02Å; L226-F260 HydrophobicContact CD1-CD1 4.12Å; L226-F260 HydrophobicContact CD1-CG 4.16Å; L226-V263 HydrophobicContact CB-CB 4.44Å; L226-V263 HydrophobicContact CB-CG1 3.73Å; L226-V263 HydrophobicContact CB-CG2 3.82Å; L226-V263 HydrophobicContact CD1-CG1 3.82Å; L226-V263 HydrophobicContact CG-CG1 4.43Å |
| 227 | E | 97.3 | Very high | 95.2 | Very high | 43 Ų | 43 | 35.9 Ų | 35.9 | 20% | 0.201 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.2 | -34.7 | 173.3 | -77.4 | -70.7 | 164.5 | 0 | 0 | 112.1 | K172 H223 L230 V263 | K172-E227 HydrophobicContact CD-CB 4.4Å; H223-E227 IonicContact CE1-OE1 2.99Å; H223-E227 PolarHBondContact O-N 2.69Å; E227-L230 WeakPolarHBondContact O-CB 3.42Å; E227-V263 HydrophobicContact CG-CG2 3.94Å |
| 228 | T | 97.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.8 | -44.9 | 175.7 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | M168 L171 K172 A224 T225 L226 L230 R231 F232 | M168-T228 PolarHBondContact O-OG1 3.5Å; L171-T228 HydrophobicContact CB-CG2 4.26Å; K172-T228 HydrophobicContact CB-CG2 3.92Å; A224-T228 WeakPolarHBondContact O-CB 3.12Å; A224-T228 PolarHBondContact O-N 3Å; A224-T228 PolarHBondContact O-OG1 3.13Å; T225-T228 PolarHBondContact O-N 3.46Å; L226-T228 VanDerWaalsContact C-N 3.27Å; L226-T228 PolarHBondContact O-N 3.39Å; T228-L230 VanDerWaalsContact C-N 3.26Å; T228-L230 PolarHBondContact O-N 3.37Å; T228-R231 PolarHBondContact O-N 3.28Å; T228-R231 VanDerWaalsContact O-N 3.14Å; T228-F232 HydrophobicContact CG2-CD2 4.19Å; T228-F232 HydrophobicContact CG2-CE1 4.15Å; T228-F232 HydrophobicContact CG2-CE2 3.51Å; T228-F232 HydrophobicContact CG2-CZ 3.49Å; T228-F232 VanDerWaalsContact CG2-CZ 3.49Å; T228-F232 WeakPolarHBondContact O-CG 3.06Å; T228-F232 PolarHBondContact O-N 2.83Å |
| 229 | L | 97.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.8 | -41 | 174.3 | 176.9 | 67.8 | 0 | 0 | 0 | 111.4 | M213 T225 L226 R231 F232 L233 L246 L250 | M213-L229 HydrophobicContact CE-CD2 4.49Å; M213-L229 HydrophobicContact SD-CD2 4.2Å; T225-L229 WeakPolarHBondContact O-CB 3.5Å; T225-L229 PolarHBondContact O-N 3.13Å; L226-L229 WeakPolarHBondContact O-CB 3.47Å; L226-L229 PolarHBondContact O-N 3.08Å; L229-R231 PolarHBondContact O-N 3.13Å; L229-F232 WeakPolarHBondContact O-CB 3.24Å; L229-F232 PolarHBondContact O-N 3.12Å; L229-L233 HydrophobicContact CD1-CD2 4.49Å; L229-L233 HydrophobicContact CD1-CG 4.48Å; L229-L233 HydrophobicContact CG-CD1 4.49Å; L229-L233 HydrophobicContact CG-CG 4.39Å; L229-L233 WeakPolarHBondContact O-CG 3.38Å; L229-L233 PolarHBondContact O-N 3.43Å; L229-L246 HydrophobicContact CD1-CD1 4.36Å; L229-L246 HydrophobicContact CD1-CD2 4.3Å; L229-L246 HydrophobicContact CD2-CD1 3.78Å; L229-L250 HydrophobicContact CD2-CD1 4.39Å; L229-L250 HydrophobicContact CD2-CD2 3.98Å |
| 230 | L | 97.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -53.8 | -41.9 | 177.4 | -178.4 | 61.7 | 0 | 0 | 0 | 112.2 | L226 E227 T228 K266 E270 | L226-L230 PolarHBondContact O-N 3.18Å; E227-L230 WeakPolarHBondContact O-CB 3.42Å; T228-L230 VanDerWaalsContact C-N 3.26Å; T228-L230 PolarHBondContact O-N 3.37Å; L230-K266 HydrophobicContact CD1-CB 3.93Å; L230-K266 HydrophobicContact CD2-CB 4.09Å; L230-K266 HydrophobicContact CD2-CD 4.24Å; L230-E270 HydrophobicContact CD1-CG 3.62Å |
| 231 | R | 95.3 | Very high | 95.4 | Very high | 73 Ų | 73 | 26.5 Ų | 26.5 | 28% | 0.275 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -73.1 | -31.6 | 177 | -63.9 | -63.1 | 176.7 | -111.6 | -0.3 | 113.2 | K172 E176 T228 L229 W235 | K172-R231 HydrophobicContact CD-CG 4.15Å; K172-R231 HydrophobicContact CG-CB 4.21Å; K172-R231 HydrophobicContact CG-CG 3.65Å; E176-R231 HydrophobicContact CG-CG 3.97Å; E176-R231 WeakPolarHBondContact OE1-CD 3.18Å; E176-R231 IonicContact OE1-CZ 3.32Å; E176-R231 IonicContact OE1-NE 2.74Å; E176-R231 PolarHBondContact OE1-NE 3.41Å; E176-R231 IonicContact OE1-NH2 3.77Å; T228-R231 PolarHBondContact O-N 3.28Å; T228-R231 VanDerWaalsContact O-N 3.14Å; L229-R231 PolarHBondContact O-N 3.13Å; R231-W235 PolarHBondContact O-NE1 2.97Å |
| 232 | F | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.1 | -36.8 | 175.5 | -66 | -23.7 | 0 | 0 | 0 | 112.7 | L171 M198 F202 I205 T228 L229 N234 W235 I236 | L171-F232 HydrophobicContact CB-CZ 4.13Å; M198-F232 HydrophobicContact CE-CE1 3.68Å; M198-F232 HydrophobicContact CE-CZ 4.38Å; F202-F232 HydrophobicContact CE2-CB 4.16Å; F202-F232 HydrophobicContact CE2-CD1 4.05Å; F202-F232 AromaticContact CE2-CD2 3.58Å; F202-F232 HydrophobicContact CE2-CD2 3.58Å; F202-F232 HydrophobicContact CE2-CE1 4.28Å; F202-F232 AromaticContact CE2-CE2 3.83Å; F202-F232 HydrophobicContact CE2-CE2 3.83Å; F202-F232 AromaticContact CE2-CG 3.69Å; F202-F232 HydrophobicContact CE2-CG 3.69Å; F202-F232 HydrophobicContact CE2-CZ 4.17Å; F202-F232 HydrophobicContact CZ-CB 4.08Å; F202-F232 AromaticContact CZ-CD2 3.82Å; F202-F232 HydrophobicContact CZ-CD2 3.82Å; F202-F232 HydrophobicContact CZ-CE2 4.39Å; F202-F232 HydrophobicContact CZ-CG 4.03Å; I205-F232 HydrophobicContact CG2-CE2 3.55Å; I205-F232 HydrophobicContact CG2-CZ 3.68Å; T228-F232 HydrophobicContact CG2-CD2 4.19Å; T228-F232 HydrophobicContact CG2-CE1 4.15Å; T228-F232 HydrophobicContact CG2-CE2 3.51Å; T228-F232 HydrophobicContact CG2-CZ 3.49Å; T228-F232 VanDerWaalsContact CG2-CZ 3.49Å; T228-F232 WeakPolarHBondContact O-CG 3.06Å; T228-F232 PolarHBondContact O-N 2.83Å; L229-F232 WeakPolarHBondContact O-CB 3.24Å; L229-F232 PolarHBondContact O-N 3.12Å; F232-N234 PolarHBondContact O-N 3Å; F232-W235 AromaticContact CD1-CZ2 3.58Å; F232-W235 HydrophobicContact CD1-CZ2 3.58Å; F232-W235 HydrophobicContact CE1-CZ2 4.04Å; F232-W235 HydrophobicContact CG-CZ2 4.42Å; F232-W235 PolarHBondContact O-N 3.46Å; F232-I236 HydrophobicContact CB-CD1 4.47Å; F232-I236 HydrophobicContact CB-CG2 3.85Å; F232-I236 WeakPolarHBondContact O-CG1 3.38Å; F232-I236 WeakPolarHBondContact O-CG2 3.49Å; F232-I236 PolarHBondContact O-N 2.88Å |
| 233 | L | 94.6 | Very high | 95.4 | Very high | 14 Ų | 14 | 33 Ų | 33 | 7% | 0.073 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -24.9 | -179.1 | -70.8 | 172 | 0 | 0 | 0 | 113.4 | L229 W235 I236 I241 L246 C267 E270 I271 | L229-L233 HydrophobicContact CD1-CD2 4.49Å; L229-L233 HydrophobicContact CD1-CG 4.48Å; L229-L233 HydrophobicContact CG-CD1 4.49Å; L229-L233 HydrophobicContact CG-CG 4.39Å; L229-L233 WeakPolarHBondContact O-CG 3.38Å; L229-L233 PolarHBondContact O-N 3.43Å; L233-W235 VanDerWaalsContact C-N 3.28Å; L233-W235 PolarHBondContact O-N 3.33Å; L233-I236 HydrophobicContact CD2-CD1 4.33Å; L233-I241 HydrophobicContact CD2-CD1 3.73Å; L233-I241 HydrophobicContact CD2-CG1 3.82Å; L233-L246 HydrophobicContact CD2-CD2 4.29Å; L233-C267 HydrophobicContact CD1-CB 3.61Å; L233-C267 WeakPolarHBondContact CD1-O 3.43Å; L233-E270 HydrophobicContact CB-CB 4.16Å; L233-E270 HydrophobicContact CD1-CB 4.24Å; L233-I271 HydrophobicContact CD1-CD1 4.29Å; L233-I271 HydrophobicContact CD1-CG1 4.05Å; L233-I271 HydrophobicContact CD2-CD1 4.13Å; L233-I271 HydrophobicContact CD2-CG1 3.83Å |
| 234 | N | 87.9 | Confident | 95.3 | Very high | 76 Ų | 76 | 32 Ų | 32 | 41% | 0.406 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -24.3 | 178.6 | -66.7 | -3.9 | 0 | 0 | 0 | 114.2 | F232 | F232-N234 PolarHBondContact O-N 3Š|
| 235 | W | 91.9 | Very high | 95.3 | Very high | 38 Ų | 38 | 38.2 Ų | 38.2 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.4 | -13.2 | -168.5 | 61.7 | -97.6 | 0 | 0 | 0 | 115.6 | S175 F179 M198 F202 R231 F232 L233 | S175-W235 PolarHBondContact OG-NE1 3.46Å; F179-W235 HydrophobicContact CB-CG 4.21Å; F179-W235 HydrophobicContact CD1-CB 3.37Å; F179-W235 AromaticContact CD1-CD1 3.76Å; F179-W235 AromaticContact CD1-CD2 3.8Å; F179-W235 HydrophobicContact CD1-CD2 3.8Å; F179-W235 HydrophobicContact CD1-CE3 4.36Å; F179-W235 AromaticContact CD1-CG 3.34Å; F179-W235 HydrophobicContact CD1-CG 3.34Å; F179-W235 AromaticContact CD2-CD1 3.74Å; F179-W235 AromaticContact CD2-CD2 3.82Å; F179-W235 HydrophobicContact CD2-CD2 3.82Å; F179-W235 AromaticContact CD2-CE2 3.62Å; F179-W235 AromaticContact CD2-CG 3.91Å; F179-W235 HydrophobicContact CD2-CG 3.91Å; F179-W235 HydrophobicContact CD2-CZ2 4.18Å; F179-W235 AromaticContact CD2-NE1 3.54Å; F179-W235 HydrophobicContact CE1-CB 3.61Å; F179-W235 AromaticContact CE1-CD2 3.51Å; F179-W235 HydrophobicContact CE1-CD2 3.51Å; F179-W235 AromaticContact CE1-CE3 3.6Å; F179-W235 HydrophobicContact CE1-CE3 3.6Å; F179-W235 AromaticContact CE1-CG 3.53Å; F179-W235 HydrophobicContact CE1-CG 3.53Å; F179-W235 HydrophobicContact CE1-CZ3 4.44Å; F179-W235 AromaticContact CE2-CD2 3.55Å; F179-W235 HydrophobicContact CE2-CD2 3.55Å; F179-W235 AromaticContact CE2-CE2 3.48Å; F179-W235 VanDerWaalsContact CE2-CE2 3.48Å; F179-W235 AromaticContact CE2-CE3 3.83Å; F179-W235 HydrophobicContact CE2-CE3 3.83Å; F179-W235 HydrophobicContact CE2-CG 4.08Å; F179-W235 HydrophobicContact CE2-CH2 4.01Å; F179-W235 AromaticContact CE2-CZ2 3.73Å; F179-W235 HydrophobicContact CE2-CZ2 3.73Å; F179-W235 HydrophobicContact CE2-CZ3 4.05Å; F179-W235 AromaticContact CE2-NE1 3.93Å; F179-W235 HydrophobicContact CG-CB 4.02Å; F179-W235 AromaticContact CG-CD1 3.45Å; F179-W235 VanDerWaalsContact CG-CD1 3.45Å; F179-W235 AromaticContact CG-CD2 3.95Å; F179-W235 HydrophobicContact CG-CD2 3.95Å; F179-W235 AromaticContact CG-CG 3.54Å; F179-W235 HydrophobicContact CG-CG 3.54Å; F179-W235 AromaticContact CG-NE1 3.78Å; F179-W235 HydrophobicContact CZ-CB 4.43Å; F179-W235 AromaticContact CZ-CD2 3.38Å; F179-W235 HydrophobicContact CZ-CD2 3.38Å; F179-W235 AromaticContact CZ-CE2 3.84Å; F179-W235 AromaticContact CZ-CE3 3.29Å; F179-W235 HydrophobicContact CZ-CE3 3.29Å; F179-W235 AromaticContact CZ-CG 3.9Å; F179-W235 HydrophobicContact CZ-CG 3.9Å; F179-W235 HydrophobicContact CZ-CH2 4.15Å; F179-W235 HydrophobicContact CZ-CZ2 4.21Å; F179-W235 AromaticContact CZ-CZ3 3.71Å; F179-W235 HydrophobicContact CZ-CZ3 3.71Å; M198-W235 HydrophobicContact CB-CH2 4.24Å; M198-W235 HydrophobicContact CE-CH2 4.14Å; M198-W235 HydrophobicContact CE-CZ2 3.75Å; M198-W235 HydrophobicContact CG-CH2 3.73Å; M198-W235 HydrophobicContact CG-CZ2 4.18Å; M198-W235 HydrophobicContact SD-CH2 4Å; M198-W235 HydrophobicContact SD-CZ2 3.8Å; F202-W235 HydrophobicContact CB-CH2 4.49Å; F202-W235 AromaticContact CD2-CH2 3.51Å; F202-W235 HydrophobicContact CD2-CH2 3.51Å; F202-W235 HydrophobicContact CD2-CZ2 4.24Å; F202-W235 HydrophobicContact CD2-CZ3 4.19Å; F202-W235 HydrophobicContact CE2-CH2 4Å; F202-W235 HydrophobicContact CE2-CZ2 4.33Å; F202-W235 HydrophobicContact CG-CH2 4.12Å; F202-W235 HydrophobicContact CG-CZ3 4.37Å; R231-W235 PolarHBondContact O-NE1 2.97Å; F232-W235 AromaticContact CD1-CZ2 3.58Å; F232-W235 HydrophobicContact CD1-CZ2 3.58Å; F232-W235 HydrophobicContact CE1-CZ2 4.04Å; F232-W235 HydrophobicContact CG-CZ2 4.42Å; F232-W235 PolarHBondContact O-N 3.46Å; L233-W235 VanDerWaalsContact C-N 3.28Å; L233-W235 PolarHBondContact O-N 3.33Å |
| 236 | I | 93.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -68.9 | 151.7 | -176.7 | 62.4 | 177.4 | 0 | 0 | 0 | 112.3 | F202 F232 L233 L238 I241 | F202-I236 HydrophobicContact CD1-CB 4.28Å; F202-I236 HydrophobicContact CD1-CG2 3.8Å; F202-I236 HydrophobicContact CD2-CG2 4.03Å; F202-I236 HydrophobicContact CE1-CB 3.86Å; F202-I236 HydrophobicContact CE1-CD1 4.01Å; F202-I236 HydrophobicContact CE1-CG2 3.36Å; F202-I236 HydrophobicContact CE2-CG2 3.62Å; F202-I236 HydrophobicContact CG-CG2 4.13Å; F202-I236 HydrophobicContact CZ-CB 4.22Å; F202-I236 HydrophobicContact CZ-CD1 4.15Å; F202-I236 HydrophobicContact CZ-CG2 3.29Å; F232-I236 HydrophobicContact CB-CD1 4.47Å; F232-I236 HydrophobicContact CB-CG2 3.85Å; F232-I236 WeakPolarHBondContact O-CG1 3.38Å; F232-I236 WeakPolarHBondContact O-CG2 3.49Å; F232-I236 PolarHBondContact O-N 2.88Å; L233-I236 HydrophobicContact CD2-CD1 4.33Å; I236-L238 PolarHBondContact O-N 3.47Å; I236-I241 HydrophobicContact CD1-CD1 4.24Å; I236-I241 HydrophobicContact CD1-CG1 3.85Å; I236-I241 HydrophobicContact CG1-CD1 4Å; I236-I241 HydrophobicContact CG1-CG1 4.08Å |
| 237 | P | 94 | Very high | 95.1 | Very high | 63 Ų | 63 | 39.1 Ų | 39.1 | 41% | 0.409 | 19% | 0.194 | S | C | . | . | trans | -56.3 | 135.5 | 173.5 | -26.1 | 34.6 | 0 | 0 | 0 | 112.5 | G239 Y240 | P237-G239 PolarHBondContact O-N 3.22Å; P237-G239 VanDerWaalsContact O-N 3.08Å; P237-Y240 HydrophobicContact CB-CD2 3.98Å; P237-Y240 HydrophobicContact CB-CE2 4.15Å; P237-Y240 HydrophobicContact CG-CD2 4.19Å; P237-Y240 HydrophobicContact CG-CE2 4.04Å; P237-Y240 WeakPolarHBondContact O-CD2 3.27Å; P237-Y240 PolarHBondContact O-N 2.68Å | ||
| 238 | L | 93.5 | Very high | 95 | Very high | 55 Ų | 55 | 39.7 Ų | 39.7 | 29% | 0.288 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.1 | -25.3 | -172.9 | -59.8 | -173.7 | 0 | 0 | 0 | 114.2 | I236 Y240 I241 F242 V274 V276 Y279 | I236-L238 PolarHBondContact O-N 3.47Å; L238-Y240 VanDerWaalsContact C-N 3.26Å; L238-Y240 PolarHBondContact O-N 3Å; L238-I241 HydrophobicContact CD2-CD1 4.25Å; L238-I241 WeakPolarHBondContact O-CB 3.3Å; L238-I241 PolarHBondContact O-N 3.17Å; L238-F242 HydrophobicContact CB-CD2 4.06Å; L238-F242 HydrophobicContact CB-CE2 4.37Å; L238-F242 HydrophobicContact CD2-CE2 4.21Å; L238-F242 WeakPolarHBondContact O-CD2 3.42Å; L238-F242 PolarHBondContact O-N 3.32Å; L238-V274 HydrophobicContact CD1-CG1 4.09Å; L238-V274 HydrophobicContact CD2-CG1 3.93Å; L238-V276 HydrophobicContact CD1-CB 4.48Å; L238-V276 HydrophobicContact CD1-CG1 3.72Å; L238-V276 HydrophobicContact CD1-CG2 4.16Å; L238-Y279 HydrophobicContact CB-CE2 3.82Å; L238-Y279 HydrophobicContact CD1-CE2 4.26Å |
| 239 | G | 94.8 | Very high | 95 | Very high | 23 Ų | 23 | 40.5 Ų | 40.5 | 24% | 0.237 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.1 | -36.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | P237 I241 E243 | P237-G239 PolarHBondContact O-N 3.22Å; P237-G239 VanDerWaalsContact O-N 3.08Å; G239-I241 PolarHBondContact O-N 3.3Å; G239-E243 WeakPolarHBondContact O-CA 3.41Å; G239-E243 VanDerWaalsContact O-CB 3.27Å; G239-E243 WeakPolarHBondContact O-CB 3.46Å; G239-E243 PolarHBondContact O-N 3.45Å |
| 240 | Y | 95.6 | Very high | 95 | Very high | 63 Ų | 63 | 40.5 Ų | 40.5 | 25% | 0.247 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -27.8 | 175.7 | -67.4 | -70.5 | 0 | 0 | 0 | 112.8 | F202 S203 F206 P237 L238 T244 | F202-Y240 AromaticContact CD1-CD2 3.9Å; F202-Y240 HydrophobicContact CD1-CD2 3.9Å; F202-Y240 AromaticContact CD1-CE2 3.83Å; F202-Y240 HydrophobicContact CD1-CE2 3.83Å; F202-Y240 HydrophobicContact CD1-CG 4.31Å; F202-Y240 HydrophobicContact CE1-CD2 4.1Å; F202-Y240 HydrophobicContact CE1-CE2 4.47Å; F202-Y240 HydrophobicContact CE1-CG 4.16Å; S203-Y240 WeakPolarHBondContact CB-OH 3.49Å; F206-Y240 HydrophobicContact CB-CD1 4.18Å; F206-Y240 HydrophobicContact CB-CE1 4.35Å; F206-Y240 AromaticContact CD1-CD1 3.62Å; F206-Y240 HydrophobicContact CD1-CD1 3.62Å; F206-Y240 HydrophobicContact CD1-CE1 4.21Å; F206-Y240 HydrophobicContact CD2-CD1 4.2Å; F206-Y240 HydrophobicContact CD2-CG 4.43Å; F206-Y240 HydrophobicContact CE1-CD1 4.01Å; F206-Y240 AromaticContact CG-CD1 3.71Å; F206-Y240 HydrophobicContact CG-CD1 3.71Å; F206-Y240 HydrophobicContact CG-CE1 4.32Å; F206-Y240 HydrophobicContact CG-CG 4.37Å; F206-Y240 HydrophobicContact CZ-CD1 4.45Å; F206-Y240 WeakPolarHBondContact CZ-O 3.17Å; P237-Y240 HydrophobicContact CB-CD2 3.98Å; P237-Y240 HydrophobicContact CB-CE2 4.15Å; P237-Y240 HydrophobicContact CG-CD2 4.19Å; P237-Y240 HydrophobicContact CG-CE2 4.04Å; P237-Y240 WeakPolarHBondContact O-CD2 3.27Å; P237-Y240 PolarHBondContact O-N 2.68Å; L238-Y240 VanDerWaalsContact C-N 3.26Å; L238-Y240 PolarHBondContact O-N 3Å; Y240-T244 VanDerWaalsContact O-CG2 3.25Å; Y240-T244 WeakPolarHBondContact O-CG2 3.28Å; Y240-T244 PolarHBondContact O-OG1 3.39Å |
| 241 | I | 95.7 | Very high | 95 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -84.9 | -53.5 | -177.9 | -57.7 | 176.4 | 0 | 0 | 0 | 110.6 | L233 I236 L238 G239 I271 | L233-I241 HydrophobicContact CD2-CD1 3.73Å; L233-I241 HydrophobicContact CD2-CG1 3.82Å; I236-I241 HydrophobicContact CD1-CD1 4.24Å; I236-I241 HydrophobicContact CD1-CG1 3.85Å; I236-I241 HydrophobicContact CG1-CD1 4Å; I236-I241 HydrophobicContact CG1-CG1 4.08Å; L238-I241 HydrophobicContact CD2-CD1 4.25Å; L238-I241 WeakPolarHBondContact O-CB 3.3Å; L238-I241 PolarHBondContact O-N 3.17Å; G239-I241 PolarHBondContact O-N 3.3Å; I241-I271 HydrophobicContact CG2-CB 4.37Å; I241-I271 HydrophobicContact CG2-CD1 3.99Å; I241-I271 HydrophobicContact CG2-CG1 3.75Å; I241-I271 HydrophobicContact CG2-CG2 3.75Å |
| 242 | F | 96.3 | Very high | 95 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 4% | 0.039 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -101.2 | -15.2 | -166.9 | -61.3 | -70.5 | 0 | 0 | 0 | 114.7 | L238 I247 I271 V274 Y279 Q282 F283 | L238-F242 HydrophobicContact CB-CD2 4.06Å; L238-F242 HydrophobicContact CB-CE2 4.37Å; L238-F242 HydrophobicContact CD2-CE2 4.21Å; L238-F242 WeakPolarHBondContact O-CD2 3.42Å; L238-F242 PolarHBondContact O-N 3.32Å; F242-I247 HydrophobicContact CD1-CD1 3.86Å; F242-I247 HydrophobicContact CE1-CD1 4.19Å; F242-I271 HydrophobicContact CE1-CG2 3.59Å; F242-I271 HydrophobicContact CZ-CG2 3.79Å; F242-V274 HydrophobicContact CE2-CB 4.39Å; F242-V274 HydrophobicContact CE2-CG1 4.14Å; F242-V274 HydrophobicContact CZ-CB 4.16Å; F242-V274 HydrophobicContact CZ-CG1 4.37Å; F242-V274 HydrophobicContact CZ-CG2 4.4Å; F242-Y279 HydrophobicContact CB-CD1 3.51Å; F242-Y279 HydrophobicContact CB-CD2 4.01Å; F242-Y279 HydrophobicContact CB-CE1 3.78Å; F242-Y279 HydrophobicContact CB-CE2 4.26Å; F242-Y279 HydrophobicContact CB-CG 3.63Å; F242-Y279 HydrophobicContact CD1-CG 4.41Å; F242-Y279 AromaticContact CD2-CD2 3.49Å; F242-Y279 HydrophobicContact CD2-CD2 3.49Å; F242-Y279 VanDerWaalsContact CD2-CD2 3.49Å; F242-Y279 AromaticContact CD2-CE2 3.86Å; F242-Y279 HydrophobicContact CD2-CE2 3.86Å; F242-Y279 AromaticContact CD2-CG 3.89Å; F242-Y279 HydrophobicContact CD2-CG 3.89Å; F242-Y279 HydrophobicContact CE2-CD2 4.14Å; F242-Y279 HydrophobicContact CG-CD1 4.16Å; F242-Y279 AromaticContact CG-CD2 3.85Å; F242-Y279 HydrophobicContact CG-CD2 3.85Å; F242-Y279 HydrophobicContact CG-CE2 4.39Å; F242-Y279 AromaticContact CG-CG 3.73Å; F242-Y279 HydrophobicContact CG-CG 3.73Å; F242-Q282 HydrophobicContact CB-CB 4.38Å; F242-Q282 HydrophobicContact CB-CG 4.13Å; F242-Q282 HydrophobicContact CD1-CB 3.76Å; F242-Q282 HydrophobicContact CD1-CG 4.42Å; F242-Q282 HydrophobicContact CG-CB 4.49Å; F242-Q282 WeakPolarHBondContact O-CG 3.41Å; F242-F283 HydrophobicContact CE1-CD1 4.06Å; F242-F283 AromaticContact CE1-CE1 3.51Å; F242-F283 HydrophobicContact CE1-CE1 3.51Å; F242-F283 HydrophobicContact CE1-CE2 4.48Å; F242-F283 AromaticContact CE1-CZ 3.74Å; F242-F283 HydrophobicContact CE1-CZ 3.74Å; F242-F283 HydrophobicContact CE2-CZ 4.26Å; F242-F283 HydrophobicContact CZ-CD1 4.44Å; F242-F283 AromaticContact CZ-CE1 3.46Å; F242-F283 HydrophobicContact CZ-CE1 3.46Å; F242-F283 VanDerWaalsContact CZ-CE1 3.46Å; F242-F283 HydrophobicContact CZ-CE2 4.43Å; F242-F283 AromaticContact CZ-CZ 3.45Å; F242-F283 HydrophobicContact CZ-CZ 3.45Å; F242-F283 VanDerWaalsContact CZ-CZ 3.45Å |
| 243 | E | 95.8 | Very high | 95.1 | Very high | 134 Ų | 134 | 47.2 Ų | 47.2 | 63% | 0.626 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -108.1 | 13.8 | -179.3 | -55.2 | 175.7 | -169.6 | 0 | 0 | 112.3 | G239 Y279 | G239-E243 WeakPolarHBondContact O-CA 3.41Å; G239-E243 VanDerWaalsContact O-CB 3.27Å; G239-E243 WeakPolarHBondContact O-CB 3.46Å; G239-E243 PolarHBondContact O-N 3.45Å; E243-Y279 HydrophobicContact CG-CE1 3.83Å; E243-Y279 WeakPolarHBondContact OE1-CE1 3.44Å; E243-Y279 PolarHBondContact OE1-OH 2.97Å |
| 244 | T | 95.5 | Very high | 95.2 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 31% | 0.307 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -124.5 | -179.9 | 178 | 77.9 | 0 | 0 | 0 | 0 | 111.6 | F206 Y240 L246 | F206-T244 HydrophobicContact CE1-CG2 3.95Å; F206-T244 HydrophobicContact CZ-CG2 4.12Å; Y240-T244 VanDerWaalsContact O-CG2 3.25Å; Y240-T244 WeakPolarHBondContact O-CG2 3.28Å; Y240-T244 PolarHBondContact O-OG1 3.39Å; T244-L246 PolarHBondContact O-N 3.46Å; T244-L246 VanDerWaalsContact OG1-CB 3.32Å; T244-L246 WeakPolarHBondContact OG1-CB 3.05Å; T244-L246 PolarHBondContact OG1-N 2.94Å |
| 245 | K | 94.2 | Very high | 95.7 | Very high | 144 Ų | 144 | 43.5 Ų | 43.5 | 63% | 0.626 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -79.2 | 6.2 | 175.1 | -63.8 | -178.7 | -178 | 175.6 | 0 | 113.4 | I247 S248 T249 | K245-I247 PolarHBondContact O-N 3.02Å; K245-S248 PolarHBondContact O-N 2.96Å; K245-T249 WeakPolarHBondContact O-CB 3.36Å; K245-T249 PolarHBondContact O-N 2.87Å; K245-T249 PolarHBondContact O-OG1 3.28Å; K245-T249 VanDerWaalsContact O-OG1 3.08Å |
| 246 | L | 96.4 | Very high | 95.8 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -53.9 | -54.1 | -170.4 | -175.6 | 64.1 | 0 | 0 | 0 | 112.7 | F206 M213 L229 L233 T244 S248 T249 L250 | F206-L246 HydrophobicContact CE2-CD2 4.35Å; M213-L246 HydrophobicContact CE-CD1 3.75Å; M213-L246 HydrophobicContact SD-CD1 4.48Å; L229-L246 HydrophobicContact CD1-CD1 4.36Å; L229-L246 HydrophobicContact CD1-CD2 4.3Å; L229-L246 HydrophobicContact CD2-CD1 3.78Å; L233-L246 HydrophobicContact CD2-CD2 4.29Å; T244-L246 PolarHBondContact O-N 3.46Å; T244-L246 VanDerWaalsContact OG1-CB 3.32Å; T244-L246 WeakPolarHBondContact OG1-CB 3.05Å; T244-L246 PolarHBondContact OG1-N 2.94Å; L246-S248 PolarHBondContact O-N 3.09Å; L246-T249 PolarHBondContact O-N 2.84Å; L246-L250 HydrophobicContact CD1-CD1 4.41Å; L246-L250 HydrophobicContact CD1-CG 4.38Å; L246-L250 HydrophobicContact CG-CD1 4.15Å; L246-L250 WeakPolarHBondContact O-CG 3.12Å; L246-L250 PolarHBondContact O-N 2.89Å |
| 247 | I | 96.5 | Very high | 96 | Very high | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.4 | -49.7 | -178.7 | -64.4 | 172.2 | 0 | 0 | 0 | 110.7 | F242 K245 T249 L250 V251 I271 L286 | F242-I247 HydrophobicContact CD1-CD1 3.86Å; F242-I247 HydrophobicContact CE1-CD1 4.19Å; K245-I247 PolarHBondContact O-N 3.02Å; I247-T249 VanDerWaalsContact C-N 3.34Å; I247-T249 PolarHBondContact O-N 3.49Å; I247-L250 PolarHBondContact O-N 3.45Å; I247-V251 WeakPolarHBondContact O-CG2 3.49Å; I247-V251 PolarHBondContact O-N 3.47Å; I247-I271 HydrophobicContact CD1-CG2 4.28Å; I247-I271 HydrophobicContact CG1-CD1 4.36Å; I247-L286 HydrophobicContact CG2-CB 4.12Å; I247-L286 HydrophobicContact CG2-CD1 3.72Å |
| 248 | S | 96 | Very high | 96 | Very high | 55 Ų | 55 | 47.9 Ų | 47.9 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63 | -40.8 | 179.7 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | K245 L246 Y252 | K245-S248 PolarHBondContact O-N 2.96Å; L246-S248 PolarHBondContact O-N 3.09Å; S248-Y252 WeakPolarHBondContact O-CB 3.19Å; S248-Y252 VanDerWaalsContact O-CD2 3.24Å; S248-Y252 WeakPolarHBondContact O-CD2 3.07Å; S248-Y252 PolarHBondContact O-N 3.25Å |
| 249 | T | 96.6 | Very high | 96.2 | Very high | 18 Ų | 18 | 51 Ų | 51 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 177.1 | -65.7 | 0 | 0 | 0 | 0 | 111.4 | M213 K245 L246 I247 V251 K253 F254 | M213-T249 HydrophobicContact CB-CG2 4.32Å; K245-T249 WeakPolarHBondContact O-CB 3.36Å; K245-T249 PolarHBondContact O-N 2.87Å; K245-T249 PolarHBondContact O-OG1 3.28Å; K245-T249 VanDerWaalsContact O-OG1 3.08Å; L246-T249 PolarHBondContact O-N 2.84Å; I247-T249 VanDerWaalsContact C-N 3.34Å; I247-T249 PolarHBondContact O-N 3.49Å; T249-V251 PolarHBondContact O-N 2.74Å; T249-K253 HydrophobicContact CG2-CD 4.3Å; T249-K253 WeakPolarHBondContact O-CB 3.49Å; T249-K253 PolarHBondContact O-N 3.25Å; T249-F254 HydrophobicContact CG2-CE2 3.86Å |
| 250 | L | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -56.9 | -52.1 | 176.4 | -71.6 | 175.5 | 0 | 0 | 0 | 111.3 | L226 L229 L246 I247 F254 L255 T264 C267 L268 I271 | L226-L250 HydrophobicContact CD2-CD2 3.63Å; L229-L250 HydrophobicContact CD2-CD1 4.39Å; L229-L250 HydrophobicContact CD2-CD2 3.98Å; L246-L250 HydrophobicContact CD1-CD1 4.41Å; L246-L250 HydrophobicContact CD1-CG 4.38Å; L246-L250 HydrophobicContact CG-CD1 4.15Å; L246-L250 WeakPolarHBondContact O-CG 3.12Å; L246-L250 PolarHBondContact O-N 2.89Å; I247-L250 PolarHBondContact O-N 3.45Å; L250-F254 HydrophobicContact CD2-CD2 4.34Å; L250-F254 PolarHBondContact O-N 3.42Å; L250-L255 PolarHBondContact O-N 3.01Å; L250-T264 HydrophobicContact CB-CG2 3.92Å; L250-T264 HydrophobicContact CD2-CG2 4.24Å; L250-T264 VanDerWaalsContact O-CG2 3.31Å; L250-T264 WeakPolarHBondContact O-CG2 3.38Å; L250-C267 HydrophobicContact CD1-CB 4.06Å; L250-L268 HydrophobicContact CB-CD2 4Å; L250-L268 HydrophobicContact CD1-CD2 4.08Å; L250-I271 HydrophobicContact CD1-CD1 4.01Å |
| 251 | V | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -67.5 | -45.5 | -175.5 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | I247 T249 L255 L268 L289 Q293 | I247-V251 WeakPolarHBondContact O-CG2 3.49Å; I247-V251 PolarHBondContact O-N 3.47Å; T249-V251 PolarHBondContact O-N 2.74Å; V251-L255 HydrophobicContact CG1-CD2 4.25Å; V251-L255 WeakPolarHBondContact O-CB 3.48Å; V251-L268 HydrophobicContact CG2-CD1 3.9Å; V251-L268 HydrophobicContact CG2-CD2 3.84Å; V251-L289 HydrophobicContact CB-CB 4.43Å; V251-L289 HydrophobicContact CG1-CB 3.84Å; V251-L289 HydrophobicContact CG2-CB 4.44Å; V251-Q293 HydrophobicContact CG1-CB 4.39Å; V251-Q293 HydrophobicContact CG1-CG 3.52Å |
| 252 | Y | 95.9 | Very high | 96.4 | Very high | 126 Ų | 126 | 50.6 Ų | 50.6 | 49% | 0.494 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -85.3 | -33.8 | -172.6 | -72.8 | -62.2 | 0 | 0 | 0 | 114.8 | S248 N256 L289 | S248-Y252 WeakPolarHBondContact O-CB 3.19Å; S248-Y252 VanDerWaalsContact O-CD2 3.24Å; S248-Y252 WeakPolarHBondContact O-CD2 3.07Å; S248-Y252 PolarHBondContact O-N 3.25Å; Y252-N256 PolarHBondContact O-ND2 2.91Å; Y252-L289 HydrophobicContact CE2-CD1 4.07Å; Y252-L289 HydrophobicContact CE2-CD2 4.14Å; Y252-L289 WeakPolarHBondContact OH-CD2 3.25Å |
| 253 | K | 96.4 | Very high | 96.5 | Very high | 96 Ų | 96 | 50.3 Ų | 50.3 | 42% | 0.417 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -92.5 | -31.9 | -176.5 | -73.2 | -164.4 | 167.8 | -175.3 | 0 | 114 | E214 T249 V257 | E214-K253 PolarHBondContact O-NZ 3.19Å; T249-K253 HydrophobicContact CG2-CD 4.3Å; T249-K253 WeakPolarHBondContact O-CB 3.49Å; T249-K253 PolarHBondContact O-N 3.25Å; K253-V257 WeakPolarHBondContact O-CG2 3.37Å |
| 254 | F | 97.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 5% | 0.053 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -120.4 | -34 | -165.9 | -54.7 | -53.6 | 0 | 0 | 0 | 114 | M213 V222 L226 T249 L250 N256 V257 F260 T264 | M213-F254 HydrophobicContact CB-CE2 3.82Å; M213-F254 HydrophobicContact CB-CZ 3.81Å; M213-F254 HydrophobicContact CG-CE2 3.83Å; M213-F254 HydrophobicContact CG-CZ 4.04Å; M213-F254 WeakPolarHBondContact O-CZ 3.38Å; M213-F254 HydrophobicContact SD-CE2 4.03Å; V222-F254 HydrophobicContact CG1-CD1 4.01Å; V222-F254 HydrophobicContact CG1-CE1 3.52Å; V222-F254 HydrophobicContact CG1-CZ 4.01Å; L226-F254 HydrophobicContact CD1-CB 4.21Å; L226-F254 HydrophobicContact CD1-CD1 4.42Å; L226-F254 HydrophobicContact CD1-CD2 4.28Å; L226-F254 HydrophobicContact CD1-CG 4.06Å; L226-F254 HydrophobicContact CD2-CD2 3.93Å; L226-F254 HydrophobicContact CD2-CE2 4.16Å; T249-F254 HydrophobicContact CG2-CE2 3.86Å; L250-F254 HydrophobicContact CD2-CD2 4.34Å; L250-F254 PolarHBondContact O-N 3.42Å; F254-N256 VanDerWaalsContact C-N 3.32Å; F254-N256 PolarHBondContact O-N 3.44Å; F254-V257 PolarHBondContact O-N 3.11Å; F254-V257 VanDerWaalsContact O-N 3.12Å; F254-F260 HydrophobicContact CB-CB 4.02Å; F254-F260 AromaticContact CD1-CD2 3.9Å; F254-F260 HydrophobicContact CD1-CD2 3.9Å; F254-F260 HydrophobicContact CD1-CE2 4.39Å; F254-F260 HydrophobicContact CD1-CG 4.45Å; F254-T264 HydrophobicContact CB-CG2 4.13Å; F254-T264 VanDerWaalsContact CB-OG1 3.28Å; F254-T264 WeakPolarHBondContact CB-OG1 3.18Å |
| 255 | L | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -61.3 | -40 | -175 | -177.3 | 60.5 | 0 | 0 | 0 | 112.5 | L250 V251 V257 R261 T264 L265 L268 T290 Q293 M297 | L250-L255 PolarHBondContact O-N 3.01Å; V251-L255 HydrophobicContact CG1-CD2 4.25Å; V251-L255 WeakPolarHBondContact O-CB 3.48Å; L255-V257 VanDerWaalsContact C-N 3.3Å; L255-V257 PolarHBondContact O-N 3.17Å; L255-R261 WeakPolarHBondContact O-CB 3.34Å; L255-T264 HydrophobicContact CB-CG2 3.93Å; L255-T264 HydrophobicContact CD1-CG2 4.33Å; L255-L265 HydrophobicContact CD1-CB 4.1Å; L255-L265 HydrophobicContact CD1-CD1 4.35Å; L255-L268 HydrophobicContact CD1-CD1 4.31Å; L255-L268 HydrophobicContact CD2-CD1 3.97Å; L255-T290 HydrophobicContact CD2-CG2 4Å; L255-Q293 HydrophobicContact CD2-CB 3.82Å; L255-Q293 HydrophobicContact CD2-CG 4.39Å; L255-Q293 HydrophobicContact CG-CB 4.44Å; L255-M297 HydrophobicContact CD1-CE 4.12Å; L255-M297 HydrophobicContact CD2-CE 4.22Å; L255-M297 HydrophobicContact CG-CE 3.71Å |
| 256 | N | 95.5 | Very high | 97 | Very high | 68 Ų | 68 | 38.4 Ų | 38.4 | 36% | 0.364 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -4.1 | -180 | 60.1 | 15.1 | 0 | 0 | 0 | 114.7 | Y252 F254 Q293 M297 | Y252-N256 PolarHBondContact O-ND2 2.91Å; F254-N256 VanDerWaalsContact C-N 3.32Å; F254-N256 PolarHBondContact O-N 3.44Å; N256-Q293 PolarHBondContact ND2-OE1 3.26Å; N256-M297 HydrophobicContact CB-SD 4.49Å |
| 257 | V | 96.6 | Very high | 97.1 | Very high | 44 Ų | 44 | 38.1 Ų | 38.1 | 27% | 0.267 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -95.5 | 119.6 | -179.5 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | K253 F254 L255 M259 F260 R261 | K253-V257 WeakPolarHBondContact O-CG2 3.37Å; F254-V257 PolarHBondContact O-N 3.11Å; F254-V257 VanDerWaalsContact O-N 3.12Å; L255-V257 VanDerWaalsContact C-N 3.3Å; L255-V257 PolarHBondContact O-N 3.17Å; V257-M259 VanDerWaalsContact C-N 3.3Å; V257-M259 HydrophobicContact CG1-CG 4.01Å; V257-M259 PolarHBondContact O-N 2.68Å; V257-M259 VanDerWaalsContact O-N 3.1Å; V257-F260 HydrophobicContact CB-CD2 3.92Å; V257-F260 HydrophobicContact CG1-CD2 3.78Å; V257-F260 HydrophobicContact CG1-CE2 4.15Å; V257-F260 PolarHBondContact O-N 3.16Å; V257-R261 PolarHBondContact O-N 2.89Å |
| 258 | P | 95.3 | Very high | 97.2 | Very high | 88 Ų | 88 | 37.5 Ų | 37.5 | 57% | 0.571 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | -37.4 | -170.4 | -31 | 35.9 | 0 | 0 | 0 | 116 | F260 R261 | P258-F260 VanDerWaalsContact C-N 3.3Å; P258-F260 PolarHBondContact O-N 2.88Å; P258-R261 WeakPolarHBondContact O-CG 3.44Å |
| 259 | M | 96.1 | Very high | 97.3 | Very high | 119 Ų | 119 | 35.6 Ų | 35.6 | 59% | 0.586 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -16.1 | 179.9 | 66 | -176.4 | 69.7 | 0 | 0 | 114.1 | A219 V257 | A219-M259 HydrophobicContact CB-SD 3.6Å; V257-M259 VanDerWaalsContact C-N 3.3Å; V257-M259 HydrophobicContact CG1-CG 4.01Å; V257-M259 PolarHBondContact O-N 2.68Å; V257-M259 VanDerWaalsContact O-N 3.1Å |
| 260 | F | 97.6 | Very high | 97.4 | Very high | 17 Ų | 17 | 39 Ų | 39 | 8% | 0.075 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | -14.6 | -179.1 | -54.8 | -49.1 | 0 | 0 | 0 | 113.6 | A219 V222 H223 L226 F254 V257 P258 N262 V263 T264 | A219-F260 HydrophobicContact CB-CE1 4.44Å; A219-F260 HydrophobicContact CB-CZ 3.87Å; A219-F260 WeakPolarHBondContact O-CE1 3.46Å; V222-F260 HydrophobicContact CB-CE1 4.07Å; V222-F260 HydrophobicContact CB-CZ 3.88Å; V222-F260 HydrophobicContact CG1-CD1 4.28Å; V222-F260 HydrophobicContact CG1-CD2 4.44Å; V222-F260 HydrophobicContact CG1-CE1 3.85Å; V222-F260 HydrophobicContact CG1-CE2 4.03Å; V222-F260 HydrophobicContact CG1-CZ 3.71Å; H223-F260 HydrophobicContact CB-CD1 4.28Å; H223-F260 HydrophobicContact CB-CE1 3.97Å; L226-F260 HydrophobicContact CD1-CB 4.02Å; L226-F260 HydrophobicContact CD1-CD1 4.12Å; L226-F260 HydrophobicContact CD1-CG 4.16Å; F254-F260 HydrophobicContact CB-CB 4.02Å; F254-F260 AromaticContact CD1-CD2 3.9Å; F254-F260 HydrophobicContact CD1-CD2 3.9Å; F254-F260 HydrophobicContact CD1-CE2 4.39Å; F254-F260 HydrophobicContact CD1-CG 4.45Å; V257-F260 HydrophobicContact CB-CD2 3.92Å; V257-F260 HydrophobicContact CG1-CD2 3.78Å; V257-F260 HydrophobicContact CG1-CE2 4.15Å; V257-F260 PolarHBondContact O-N 3.16Å; P258-F260 VanDerWaalsContact C-N 3.3Å; P258-F260 PolarHBondContact O-N 2.88Å; F260-N262 PolarHBondContact O-N 3.4Å; F260-N262 VanDerWaalsContact O-N 3.13Å; F260-V263 WeakPolarHBondContact O-CG1 3.18Å; F260-V263 PolarHBondContact O-N 3.07Å; F260-T264 VanDerWaalsContact O-CB 3.3Å; F260-T264 WeakPolarHBondContact O-CB 3.17Å; F260-T264 PolarHBondContact O-N 3.01Å; F260-T264 PolarHBondContact O-OG1 3.46Å |
| 261 | R | 96.8 | Very high | 97.4 | Very high | 35 Ų | 35 | 39 Ų | 39 | 13% | 0.132 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.5 | -39.9 | -173.9 | 71.5 | -175.3 | 168.4 | 169.3 | -3.2 | 113.7 | L255 V257 P258 L265 D314 F318 | L255-R261 WeakPolarHBondContact O-CB 3.34Å; V257-R261 PolarHBondContact O-N 2.89Å; P258-R261 WeakPolarHBondContact O-CG 3.44Å; R261-L265 VanDerWaalsContact O-CB 3.25Å; R261-L265 WeakPolarHBondContact O-CB 3.38Å; R261-L265 PolarHBondContact O-N 2.86Å; R261-D314 IonicContact CZ-OD2 3.87Å; R261-D314 IonicContact NH2-OD2 3.62Å; R261-D314 PolarHBondContact NH2-OD2 2.98Å; R261-F318 HydrophobicContact CB-CD2 4.14Å; R261-F318 HydrophobicContact CB-CE2 4.07Å; R261-F318 HydrophobicContact CG-CD2 3.7Å; R261-F318 HydrophobicContact CG-CE2 4.11Å; R261-F318 HydrophobicContact CG-CG 4.37Å |
| 262 | N | 97.8 | Very high | 97.4 | Very high | 29 Ų | 29 | 39 Ų | 39 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.5 | -56.7 | -176.8 | -85.3 | -52 | 0 | 0 | 0 | 112.4 | F260 T264 L265 K266 D314 F318 N321 | F260-N262 PolarHBondContact O-N 3.4Å; F260-N262 VanDerWaalsContact O-N 3.13Å; N262-T264 VanDerWaalsContact C-N 3.25Å; N262-T264 PolarHBondContact O-N 3.24Å; N262-L265 PolarHBondContact O-N 3Å; N262-K266 WeakPolarHBondContact O-CG 3.4Å; N262-K266 PolarHBondContact O-N 2.79Å; N262-D314 PolarHBondContact ND2-O 3.46Å; N262-F318 WeakPolarHBondContact OD1-CA 3.43Å; N262-F318 WeakPolarHBondContact OD1-CB 3.43Å; N262-F318 PolarHBondContact OD1-N 2.89Å; N262-F318 VanDerWaalsContact OD1-N 3.09Å; N262-N321 PolarHBondContact OD1-ND2 3.22Å |
| 263 | V | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.8 | -37.3 | 178.5 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | L226 E227 F260 K266 C267 | L226-V263 HydrophobicContact CB-CB 4.44Å; L226-V263 HydrophobicContact CB-CG1 3.73Å; L226-V263 HydrophobicContact CB-CG2 3.82Å; L226-V263 HydrophobicContact CD1-CG1 3.82Å; L226-V263 HydrophobicContact CG-CG1 4.43Å; E227-V263 HydrophobicContact CG-CG2 3.94Å; F260-V263 WeakPolarHBondContact O-CG1 3.18Å; F260-V263 PolarHBondContact O-N 3.07Å; V263-K266 PolarHBondContact O-N 2.89Å; V263-C267 PolarHBondContact O-N 3.45Å; V263-C267 PolarHBondContact O-SG 2.83Å; V263-C267 VanDerWaalsContact O-SG 3.33Å |
| 264 | T | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -47.1 | 177.2 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | L250 F254 L255 F260 N262 K266 C267 L268 | L250-T264 HydrophobicContact CB-CG2 3.92Å; L250-T264 HydrophobicContact CD2-CG2 4.24Å; L250-T264 VanDerWaalsContact O-CG2 3.31Å; L250-T264 WeakPolarHBondContact O-CG2 3.38Å; F254-T264 HydrophobicContact CB-CG2 4.13Å; F254-T264 VanDerWaalsContact CB-OG1 3.28Å; F254-T264 WeakPolarHBondContact CB-OG1 3.18Å; L255-T264 HydrophobicContact CB-CG2 3.93Å; L255-T264 HydrophobicContact CD1-CG2 4.33Å; F260-T264 VanDerWaalsContact O-CB 3.3Å; F260-T264 WeakPolarHBondContact O-CB 3.17Å; F260-T264 PolarHBondContact O-N 3.01Å; F260-T264 PolarHBondContact O-OG1 3.46Å; N262-T264 VanDerWaalsContact C-N 3.25Å; N262-T264 PolarHBondContact O-N 3.24Å; T264-K266 VanDerWaalsContact C-N 3.31Å; T264-K266 PolarHBondContact O-N 3.28Å; T264-C267 WeakPolarHBondContact O-CB 3.37Å; T264-C267 PolarHBondContact O-N 2.89Å; T264-L268 HydrophobicContact CG2-CD1 4.32Å; T264-L268 WeakPolarHBondContact O-CG 3.46Å; T264-L268 PolarHBondContact O-N 3.12Å |
| 265 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.5 | -33.8 | 179.8 | -171 | 57 | 0 | 0 | 0 | 112.3 | L255 R261 N262 L268 T269 T290 F318 N321 L322 F325 | L255-L265 HydrophobicContact CD1-CB 4.1Å; L255-L265 HydrophobicContact CD1-CD1 4.35Å; R261-L265 VanDerWaalsContact O-CB 3.25Å; R261-L265 WeakPolarHBondContact O-CB 3.38Å; R261-L265 PolarHBondContact O-N 2.86Å; N262-L265 PolarHBondContact O-N 3Å; L265-L268 HydrophobicContact CD1-CD1 4.47Å; L265-L268 PolarHBondContact O-N 2.85Å; L265-T269 WeakPolarHBondContact O-CB 3.41Å; L265-T269 PolarHBondContact O-N 3.02Å; L265-T269 PolarHBondContact O-OG1 3.13Å; L265-T290 HydrophobicContact CD1-CG2 4.42Å; L265-F318 HydrophobicContact CD2-CD2 4.06Å; L265-F318 HydrophobicContact CD2-CE2 3.77Å; L265-F318 HydrophobicContact CD2-CZ 4.5Å; L265-N321 HydrophobicContact CB-CB 4.46Å; L265-N321 HydrophobicContact CD2-CB 3.87Å; L265-N321 HydrophobicContact CG-CB 4.19Å; L265-L322 HydrophobicContact CD2-CB 4.2Å; L265-F325 HydrophobicContact CD1-CB 3.84Å; L265-F325 HydrophobicContact CD1-CD1 4.3Å; L265-F325 HydrophobicContact CD1-CD2 4.19Å; L265-F325 HydrophobicContact CD1-CG 3.83Å; L265-F325 HydrophobicContact CG-CB 4.3Å |
| 266 | K | 98.4 | Very high | 96.8 | Very high | 79 Ų | 79 | 36.3 Ų | 36.3 | 34% | 0.343 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 169.7 | -69.5 | 177.2 | -177.4 | -177.2 | 0 | 111.3 | L230 N262 V263 T264 L268 T269 E270 N321 | L230-K266 HydrophobicContact CD1-CB 3.93Å; L230-K266 HydrophobicContact CD2-CB 4.09Å; L230-K266 HydrophobicContact CD2-CD 4.24Å; N262-K266 WeakPolarHBondContact O-CG 3.4Å; N262-K266 PolarHBondContact O-N 2.79Å; V263-K266 PolarHBondContact O-N 2.89Å; T264-K266 VanDerWaalsContact C-N 3.31Å; T264-K266 PolarHBondContact O-N 3.28Å; K266-L268 VanDerWaalsContact C-N 3.31Å; K266-L268 PolarHBondContact O-N 2.94Å; K266-T269 WeakPolarHBondContact O-CA 3.01Å; K266-T269 VanDerWaalsContact O-CB 3.32Å; K266-T269 WeakPolarHBondContact O-CB 3.37Å; K266-T269 PolarHBondContact O-N 2.99Å; K266-E270 PolarHBondContact O-N 3.21Å; K266-N321 VanDerWaalsContact CE-OD1 3.3Å; K266-N321 WeakPolarHBondContact CE-OD1 3.49Å |
| 267 | C | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.1 | -44.6 | 174.8 | -68.2 | 0 | 0 | 0 | 0 | 112 | L233 L250 V263 T264 T269 E270 I271 | L233-C267 HydrophobicContact CD1-CB 3.61Å; L233-C267 WeakPolarHBondContact CD1-O 3.43Å; L250-C267 HydrophobicContact CD1-CB 4.06Å; V263-C267 PolarHBondContact O-N 3.45Å; V263-C267 PolarHBondContact O-SG 2.83Å; V263-C267 VanDerWaalsContact O-SG 3.33Å; T264-C267 WeakPolarHBondContact O-CB 3.37Å; T264-C267 PolarHBondContact O-N 2.89Å; C267-T269 PolarHBondContact O-N 3.39Å; C267-E270 PolarHBondContact O-N 3.05Å; C267-I271 VanDerWaalsContact O-CG1 3.26Å; C267-I271 WeakPolarHBondContact O-CG1 3.48Å; C267-I271 PolarHBondContact O-N 2.68Å |
| 268 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.7 | -30 | 177 | -62.2 | 172.3 | 0 | 0 | 0 | 112.3 | L250 V251 L255 T264 L265 K266 A272 L286 T290 F325 | L250-L268 HydrophobicContact CB-CD2 4Å; L250-L268 HydrophobicContact CD1-CD2 4.08Å; V251-L268 HydrophobicContact CG2-CD1 3.9Å; V251-L268 HydrophobicContact CG2-CD2 3.84Å; L255-L268 HydrophobicContact CD1-CD1 4.31Å; L255-L268 HydrophobicContact CD2-CD1 3.97Å; T264-L268 HydrophobicContact CG2-CD1 4.32Å; T264-L268 WeakPolarHBondContact O-CG 3.46Å; T264-L268 PolarHBondContact O-N 3.12Å; L265-L268 HydrophobicContact CD1-CD1 4.47Å; L265-L268 PolarHBondContact O-N 2.85Å; K266-L268 VanDerWaalsContact C-N 3.31Å; K266-L268 PolarHBondContact O-N 2.94Å; L268-A272 VanDerWaalsContact O-CB 3.23Å; L268-A272 WeakPolarHBondContact O-CB 3.5Å; L268-A272 PolarHBondContact O-N 2.78Å; L268-L286 HydrophobicContact CB-CD1 4.29Å; L268-L286 HydrophobicContact CD2-CD1 3.49Å; L268-L286 VanDerWaalsContact CD2-CD1 3.49Å; L268-L286 HydrophobicContact CG-CD1 4.39Å; L268-T290 HydrophobicContact CD1-CG2 4.19Å; L268-F325 HydrophobicContact CB-CD2 4.21Å; L268-F325 HydrophobicContact CB-CE2 4.1Å |
| 269 | T | 98.5 | Very high | 96.4 | Very high | 14 Ų | 14 | 41.9 Ų | 41.9 | 9% | 0.086 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70 | -45.9 | 175.4 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | L265 K266 C267 I271 A272 G273 L324 F325 T328 | L265-T269 WeakPolarHBondContact O-CB 3.41Å; L265-T269 PolarHBondContact O-N 3.02Å; L265-T269 PolarHBondContact O-OG1 3.13Å; K266-T269 WeakPolarHBondContact O-CA 3.01Å; K266-T269 VanDerWaalsContact O-CB 3.32Å; K266-T269 WeakPolarHBondContact O-CB 3.37Å; K266-T269 PolarHBondContact O-N 2.99Å; C267-T269 PolarHBondContact O-N 3.39Å; T269-I271 VanDerWaalsContact C-N 3.3Å; T269-I271 PolarHBondContact O-N 3.5Å; T269-A272 CarbonylContact O-C 3.16Å; T269-A272 WeakPolarHBondContact O-CB 3.5Å; T269-A272 PolarHBondContact O-N 3.15Å; T269-A272 VanDerWaalsContact O-N 3.11Å; T269-G273 PolarHBondContact O-N 3.5Å; T269-L324 HydrophobicContact CG2-CB 4.28Å; T269-F325 WeakPolarHBondContact OG1-CA 3.32Å; T269-F325 WeakPolarHBondContact OG1-CB 3.33Å; T269-T328 HydrophobicContact CG2-CG2 4.49Å |
| 270 | E | 97.6 | Very high | 96.3 | Very high | 89 Ų | 89 | 40 Ų | 40 | 42% | 0.416 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.2 | -42 | 174.8 | -62.1 | -51.4 | 143 | 0 | 0 | 111.2 | L230 L233 K266 C267 A272 G273 | L230-E270 HydrophobicContact CD1-CG 3.62Å; L233-E270 HydrophobicContact CB-CB 4.16Å; L233-E270 HydrophobicContact CD1-CB 4.24Å; K266-E270 PolarHBondContact O-N 3.21Å; C267-E270 PolarHBondContact O-N 3.05Å; E270-A272 VanDerWaalsContact C-N 3.34Å; E270-A272 PolarHBondContact O-N 2.64Å; E270-G273 PolarHBondContact O-N 3.18Å |
| 271 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 174.7 | -63.3 | 168.2 | 0 | 0 | 0 | 110.6 | L233 I241 F242 I247 L250 C267 T269 G273 V274 F283 L286 | L233-I271 HydrophobicContact CD1-CD1 4.29Å; L233-I271 HydrophobicContact CD1-CG1 4.05Å; L233-I271 HydrophobicContact CD2-CD1 4.13Å; L233-I271 HydrophobicContact CD2-CG1 3.83Å; I241-I271 HydrophobicContact CG2-CB 4.37Å; I241-I271 HydrophobicContact CG2-CD1 3.99Å; I241-I271 HydrophobicContact CG2-CG1 3.75Å; I241-I271 HydrophobicContact CG2-CG2 3.75Å; F242-I271 HydrophobicContact CE1-CG2 3.59Å; F242-I271 HydrophobicContact CZ-CG2 3.79Å; I247-I271 HydrophobicContact CD1-CG2 4.28Å; I247-I271 HydrophobicContact CG1-CD1 4.36Å; L250-I271 HydrophobicContact CD1-CD1 4.01Å; C267-I271 VanDerWaalsContact O-CG1 3.26Å; C267-I271 WeakPolarHBondContact O-CG1 3.48Å; C267-I271 PolarHBondContact O-N 2.68Å; T269-I271 VanDerWaalsContact C-N 3.3Å; T269-I271 PolarHBondContact O-N 3.5Å; I271-G273 PolarHBondContact O-N 3.34Å; I271-V274 WeakPolarHBondContact O-CG2 3.28Å; I271-V274 PolarHBondContact O-N 3.21Å; I271-F283 WeakPolarHBondContact O-CE1 3.25Å; I271-L286 HydrophobicContact CB-CD2 4.43Å; I271-L286 HydrophobicContact CG2-CD2 3.88Å |
| 272 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.2 | -16.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L268 T269 E270 L286 F325 F329 H333 | L268-A272 VanDerWaalsContact O-CB 3.23Å; L268-A272 WeakPolarHBondContact O-CB 3.5Å; L268-A272 PolarHBondContact O-N 2.78Å; T269-A272 CarbonylContact O-C 3.16Å; T269-A272 WeakPolarHBondContact O-CB 3.5Å; T269-A272 PolarHBondContact O-N 3.15Å; T269-A272 VanDerWaalsContact O-N 3.11Å; E270-A272 VanDerWaalsContact C-N 3.34Å; E270-A272 PolarHBondContact O-N 2.64Å; A272-L286 HydrophobicContact CB-CD2 4.1Å; A272-F325 HydrophobicContact CB-CD2 4.31Å; A272-F325 HydrophobicContact CB-CE2 4.06Å; A272-F329 HydrophobicContact CB-CB 4.06Å; A272-F329 HydrophobicContact CB-CD2 3.86Å; A272-F329 HydrophobicContact CB-CG 4.48Å; A272-H333 PolarHBondContact O-CD2 2.87Å; A272-H333 PolarHBondContact O-NE2 3.49Å |
| 273 | G | 96.3 | Very high | 96.2 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 37% | 0.371 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -5.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T269 E270 I271 S275 | T269-G273 PolarHBondContact O-N 3.5Å; E270-G273 PolarHBondContact O-N 3.18Å; I271-G273 PolarHBondContact O-N 3.34Å; G273-S275 PolarHBondContact O-N 3.36Å |
| 274 | V | 95.6 | Very high | 96.2 | Very high | 29 Ų | 29 | 44 Ų | 44 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | trans | -77.3 | 117.8 | -177.7 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | L238 F242 I271 V276 F283 H333 | L238-V274 HydrophobicContact CD1-CG1 4.09Å; L238-V274 HydrophobicContact CD2-CG1 3.93Å; F242-V274 HydrophobicContact CE2-CB 4.39Å; F242-V274 HydrophobicContact CE2-CG1 4.14Å; F242-V274 HydrophobicContact CZ-CB 4.16Å; F242-V274 HydrophobicContact CZ-CG1 4.37Å; F242-V274 HydrophobicContact CZ-CG2 4.4Å; I271-V274 WeakPolarHBondContact O-CG2 3.28Å; I271-V274 PolarHBondContact O-N 3.21Å; V274-V276 HydrophobicContact CG1-CG1 4.07Å; V274-V276 HydrophobicContact CG1-CG2 3.87Å; V274-V276 PolarHBondContact O-N 3.32Å; V274-F283 HydrophobicContact CB-CE1 4.41Å; V274-F283 HydrophobicContact CB-CZ 4.11Å; V274-F283 HydrophobicContact CG1-CZ 4.43Å; V274-F283 WeakPolarHBondContact O-CZ 3.23Å; V274-H333 PolarHBondContact O-CE1 2.84Å; V274-H333 PolarHBondContact O-NE2 3.47Å | ||
| 275 | S | 92.1 | Very high | 96.1 | Very high | 81 Ų | 81 | 48.2 Ų | 48.2 | 57% | 0.566 | 26% | 0.255 | S | S | * | . | trans | -95.1 | 83.3 | -177.3 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | G273 E332 | G273-S275 PolarHBondContact O-N 3.36Å; S275-E332 WeakPolarHBondContact CB-OE1 3.32Å | ||
| 276 | V | 91.3 | Very high | 96.1 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 20% | 0.2 | 26% | 0.255 | C | S | . | . | trans | -139 | 140.3 | 179.9 | -65.3 | 0 | 0 | 0 | 0 | 113.3 | L238 V274 Y279 F283 | L238-V276 HydrophobicContact CD1-CB 4.48Å; L238-V276 HydrophobicContact CD1-CG1 3.72Å; L238-V276 HydrophobicContact CD1-CG2 4.16Å; V274-V276 HydrophobicContact CG1-CG1 4.07Å; V274-V276 HydrophobicContact CG1-CG2 3.87Å; V274-V276 PolarHBondContact O-N 3.32Å; V276-Y279 HydrophobicContact CG2-CD2 3.73Å; V276-F283 HydrophobicContact CG2-CE2 3.89Å; V276-F283 HydrophobicContact CG2-CZ 4.01Å | ||
| 277 | N | 88.9 | Confident | 96 | Very high | 135 Ų | 135 | 44.5 Ų | 44.5 | 72% | 0.722 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -83.6 | -15.4 | -177 | -63.3 | -23 | 0 | 0 | 0 | 113.3 | Y279 | N277-Y279 VanDerWaalsContact C-N 3.31Å; N277-Y279 PolarHBondContact O-N 3.45Å |
| 278 | Q | 93.8 | Very high | 96 | Very high | 149 Ų | 149 | 46.8 Ų | 46.8 | 70% | 0.696 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -73.9 | -21.4 | -173.8 | -65.8 | 83.6 | -11.3 | 0 | 0 | 113.3 | ||
| 279 | Y | 95.6 | Very high | 95.9 | Very high | 32 Ų | 32 | 48.2 Ų | 48.2 | 13% | 0.125 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -118.9 | 29.2 | -170.2 | -59.9 | -62.4 | 0 | 0 | 0 | 113.4 | L238 F242 E243 V276 N277 E281 Q282 F283 | L238-Y279 HydrophobicContact CB-CE2 3.82Å; L238-Y279 HydrophobicContact CD1-CE2 4.26Å; F242-Y279 HydrophobicContact CB-CD1 3.51Å; F242-Y279 HydrophobicContact CB-CD2 4.01Å; F242-Y279 HydrophobicContact CB-CE1 3.78Å; F242-Y279 HydrophobicContact CB-CE2 4.26Å; F242-Y279 HydrophobicContact CB-CG 3.63Å; F242-Y279 HydrophobicContact CD1-CG 4.41Å; F242-Y279 AromaticContact CD2-CD2 3.49Å; F242-Y279 HydrophobicContact CD2-CD2 3.49Å; F242-Y279 VanDerWaalsContact CD2-CD2 3.49Å; F242-Y279 AromaticContact CD2-CE2 3.86Å; F242-Y279 HydrophobicContact CD2-CE2 3.86Å; F242-Y279 AromaticContact CD2-CG 3.89Å; F242-Y279 HydrophobicContact CD2-CG 3.89Å; F242-Y279 HydrophobicContact CE2-CD2 4.14Å; F242-Y279 HydrophobicContact CG-CD1 4.16Å; F242-Y279 AromaticContact CG-CD2 3.85Å; F242-Y279 HydrophobicContact CG-CD2 3.85Å; F242-Y279 HydrophobicContact CG-CE2 4.39Å; F242-Y279 AromaticContact CG-CG 3.73Å; F242-Y279 HydrophobicContact CG-CG 3.73Å; E243-Y279 HydrophobicContact CG-CE1 3.83Å; E243-Y279 WeakPolarHBondContact OE1-CE1 3.44Å; E243-Y279 PolarHBondContact OE1-OH 2.97Å; V276-Y279 HydrophobicContact CG2-CD2 3.73Å; N277-Y279 VanDerWaalsContact C-N 3.31Å; N277-Y279 PolarHBondContact O-N 3.45Å; Y279-E281 VanDerWaalsContact C-N 3.29Å; Y279-E281 PolarHBondContact O-N 3.31Å; Y279-Q282 VanDerWaalsContact CA-OE1 3.28Å; Y279-Q282 WeakPolarHBondContact O-CB 3Å; Y279-Q282 PolarHBondContact O-N 3.19Å; Y279-Q282 PolarHBondContact O-OE1 3.01Å; Y279-F283 WeakPolarHBondContact O-CD2 3.28Å; Y279-F283 PolarHBondContact O-N 3.38Å |
| 280 | E | 95.2 | Very high | 95.9 | Very high | 79 Ų | 79 | 47.6 Ų | 47.6 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -52.1 | -43.3 | -178.8 | -71.4 | -172.9 | -179.2 | 0 | 0 | 113.4 | Q282 F283 V284 L336 | E280-Q282 VanDerWaalsContact C-N 3.32Å; E280-Q282 PolarHBondContact O-N 3.21Å; E280-F283 PolarHBondContact O-N 3.09Å; E280-V284 PolarHBondContact O-N 3.4Å; E280-L336 HydrophobicContact CB-CD1 4.24Å; E280-L336 HydrophobicContact CB-CD2 4.31Å; E280-L336 HydrophobicContact CG-CD1 4.06Å; E280-L336 HydrophobicContact CG-CD2 3.76Å |
| 281 | E | 95.4 | Very high | 96 | Very high | 104 Ų | 104 | 43.3 Ų | 43.3 | 49% | 0.486 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.2 | -36.5 | 178.6 | -69.8 | -53.6 | 134.1 | 0 | 0 | 112.4 | Y279 V284 N285 R340 | Y279-E281 VanDerWaalsContact C-N 3.29Å; Y279-E281 PolarHBondContact O-N 3.31Å; E281-V284 PolarHBondContact O-N 2.94Å; E281-N285 WeakPolarHBondContact O-CB 3.46Å; E281-N285 VanDerWaalsContact O-CG 3.26Å; E281-N285 PolarHBondContact O-N 2.83Å; E281-N285 PolarHBondContact O-ND2 3.05Å; E281-N285 VanDerWaalsContact O-ND2 3.17Å; E281-R340 VanDerWaalsContact CD-NH1 3.34Å; E281-R340 IonicContact OE1-CZ 2.7Å; E281-R340 VanDerWaalsContact OE1-CZ 3.24Å; E281-R340 IonicContact OE1-NH1 2.87Å; E281-R340 PolarHBondContact OE1-NH1 2.73Å; E281-R340 IonicContact OE1-NH2 2.78Å; E281-R340 PolarHBondContact OE1-NH2 3.3Å; E281-R340 IonicContact OE2-CZ 3.41Å; E281-R340 IonicContact OE2-NH1 3.07Å; E281-R340 PolarHBondContact OE2-NH1 3.41Å |
| 282 | Q | 96.9 | Very high | 95.9 | Very high | 55 Ų | 55 | 46 Ų | 46 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.3 | -37.7 | 177.7 | -67.7 | 82.1 | -15.2 | 0 | 0 | 111.6 | F242 Y279 E280 N285 L286 | F242-Q282 HydrophobicContact CB-CB 4.38Å; F242-Q282 HydrophobicContact CB-CG 4.13Å; F242-Q282 HydrophobicContact CD1-CB 3.76Å; F242-Q282 HydrophobicContact CD1-CG 4.42Å; F242-Q282 HydrophobicContact CG-CB 4.49Å; F242-Q282 WeakPolarHBondContact O-CG 3.41Å; Y279-Q282 VanDerWaalsContact CA-OE1 3.28Å; Y279-Q282 WeakPolarHBondContact O-CB 3Å; Y279-Q282 PolarHBondContact O-N 3.19Å; Y279-Q282 PolarHBondContact O-OE1 3.01Å; E280-Q282 VanDerWaalsContact C-N 3.32Å; E280-Q282 PolarHBondContact O-N 3.21Å; Q282-N285 PolarHBondContact O-N 3.27Å; Q282-L286 WeakPolarHBondContact O-CB 3.32Å; Q282-L286 PolarHBondContact O-N 2.8Å |
| 283 | F | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 172.7 | -69.3 | -61 | 0 | 0 | 0 | 112.2 | F242 I271 V274 V276 Y279 E280 N285 L286 F287 F329 H333 L336 | F242-F283 HydrophobicContact CE1-CD1 4.06Å; F242-F283 AromaticContact CE1-CE1 3.51Å; F242-F283 HydrophobicContact CE1-CE1 3.51Å; F242-F283 HydrophobicContact CE1-CE2 4.48Å; F242-F283 AromaticContact CE1-CZ 3.74Å; F242-F283 HydrophobicContact CE1-CZ 3.74Å; F242-F283 HydrophobicContact CE2-CZ 4.26Å; F242-F283 HydrophobicContact CZ-CD1 4.44Å; F242-F283 AromaticContact CZ-CE1 3.46Å; F242-F283 HydrophobicContact CZ-CE1 3.46Å; F242-F283 VanDerWaalsContact CZ-CE1 3.46Å; F242-F283 HydrophobicContact CZ-CE2 4.43Å; F242-F283 AromaticContact CZ-CZ 3.45Å; F242-F283 HydrophobicContact CZ-CZ 3.45Å; F242-F283 VanDerWaalsContact CZ-CZ 3.45Å; I271-F283 WeakPolarHBondContact O-CE1 3.25Å; V274-F283 HydrophobicContact CB-CE1 4.41Å; V274-F283 HydrophobicContact CB-CZ 4.11Å; V274-F283 HydrophobicContact CG1-CZ 4.43Å; V274-F283 WeakPolarHBondContact O-CZ 3.23Å; V276-F283 HydrophobicContact CG2-CE2 3.89Å; V276-F283 HydrophobicContact CG2-CZ 4.01Å; Y279-F283 WeakPolarHBondContact O-CD2 3.28Å; Y279-F283 PolarHBondContact O-N 3.38Å; E280-F283 PolarHBondContact O-N 3.09Å; F283-N285 VanDerWaalsContact C-N 3.35Å; F283-L286 HydrophobicContact CD1-CD2 4.4Å; F283-L286 WeakPolarHBondContact O-CB 3.49Å; F283-L286 PolarHBondContact O-N 3.2Å; F283-F287 PolarHBondContact O-N 2.91Å; F283-F329 HydrophobicContact CB-CE2 4.2Å; F283-F329 HydrophobicContact CB-CZ 4.5Å; F283-F329 WeakPolarHBondContact O-CE2 3.25Å; F283-H333 AromaticContact CD1-CD2 3.82Å; F283-H333 AromaticContact CD1-NE2 3.45Å; F283-H333 WeakPolarHBondContact CD1-NE2 3.35Å; F283-H333 AromaticContact CD2-CE1 3.92Å; F283-H333 AromaticContact CE1-CE1 3.94Å; F283-H333 AromaticContact CE1-NE2 3.39Å; F283-H333 WeakPolarHBondContact CE1-NE2 3.35Å; F283-H333 AromaticContact CE2-CE1 3.82Å; F283-H333 AromaticContact CG-NE2 3.85Å; F283-H333 AromaticContact CZ-CE1 3.84Å; F283-H333 AromaticContact CZ-NE2 3.75Å; F283-L336 HydrophobicContact CB-CD1 4.39Å |
| 284 | V | 96.8 | Very high | 95.8 | Very high | 9 Ų | 9 | 44.9 Ų | 44.9 | 6% | 0.055 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.8 | -40.8 | 174.8 | 165.8 | 0 | 0 | 0 | 0 | 111.7 | E280 E281 F287 T288 L336 L343 | E280-V284 PolarHBondContact O-N 3.4Å; E281-V284 PolarHBondContact O-N 2.94Å; V284-F287 PolarHBondContact O-N 2.92Å; V284-T288 WeakPolarHBondContact O-CB 3.39Å; V284-T288 PolarHBondContact O-N 2.95Å; V284-T288 PolarHBondContact O-OG1 2.91Å; V284-L336 HydrophobicContact CG2-CB 4.39Å; V284-L343 HydrophobicContact CB-CD1 4.49Å; V284-L343 HydrophobicContact CG1-CD1 3.49Å; V284-L343 VanDerWaalsContact CG1-CD1 3.49Å; V284-L343 HydrophobicContact CG2-CD1 4.27Å |
| 285 | N | 96.5 | Very high | 95.8 | Very high | 89 Ų | 89 | 47 Ų | 47 | 48% | 0.476 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 173.6 | -74.5 | -33.2 | 0 | 0 | 0 | 111.5 | E281 Q282 F283 F287 T288 L289 | E281-N285 WeakPolarHBondContact O-CB 3.46Å; E281-N285 VanDerWaalsContact O-CG 3.26Å; E281-N285 PolarHBondContact O-N 2.83Å; E281-N285 PolarHBondContact O-ND2 3.05Å; E281-N285 VanDerWaalsContact O-ND2 3.17Å; Q282-N285 PolarHBondContact O-N 3.27Å; F283-N285 VanDerWaalsContact C-N 3.35Å; N285-F287 VanDerWaalsContact C-N 3.34Å; N285-F287 PolarHBondContact O-N 3.18Å; N285-T288 PolarHBondContact O-N 3.15Å; N285-L289 VanDerWaalsContact O-CB 3.32Å; N285-L289 WeakPolarHBondContact O-CB 3.46Å; N285-L289 WeakPolarHBondContact O-CG 3.26Å; N285-L289 PolarHBondContact O-N 2.86Å |
| 286 | L | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -52.1 | -52.4 | 175.4 | 171.1 | 67.7 | 0 | 0 | 0 | 111 | I247 L268 I271 A272 Q282 F283 T290 F329 | I247-L286 HydrophobicContact CG2-CB 4.12Å; I247-L286 HydrophobicContact CG2-CD1 3.72Å; L268-L286 HydrophobicContact CB-CD1 4.29Å; L268-L286 HydrophobicContact CD2-CD1 3.49Å; L268-L286 VanDerWaalsContact CD2-CD1 3.49Å; L268-L286 HydrophobicContact CG-CD1 4.39Å; I271-L286 HydrophobicContact CB-CD2 4.43Å; I271-L286 HydrophobicContact CG2-CD2 3.88Å; A272-L286 HydrophobicContact CB-CD2 4.1Å; Q282-L286 WeakPolarHBondContact O-CB 3.32Å; Q282-L286 PolarHBondContact O-N 2.8Å; F283-L286 HydrophobicContact CD1-CD2 4.4Å; F283-L286 WeakPolarHBondContact O-CB 3.49Å; F283-L286 PolarHBondContact O-N 3.2Å; L286-T290 VanDerWaalsContact O-CB 3.23Å; L286-T290 WeakPolarHBondContact O-CB 3.44Å; L286-T290 PolarHBondContact O-N 3.45Å; L286-T290 PolarHBondContact O-OG1 3.41Å; L286-F329 HydrophobicContact CD2-CD2 4.48Å; L286-F329 HydrophobicContact CD2-CE2 4.49Å |
| 287 | F | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.4 | -48.8 | -179 | -175.4 | -111 | 0 | 0 | 0 | 112.5 | F283 V284 N285 L289 T290 M291 L326 F329 L330 V337 T346 A350 | F283-F287 PolarHBondContact O-N 2.91Å; V284-F287 PolarHBondContact O-N 2.92Å; N285-F287 VanDerWaalsContact C-N 3.34Å; N285-F287 PolarHBondContact O-N 3.18Å; F287-L289 PolarHBondContact O-N 3.35Å; F287-T290 PolarHBondContact O-N 2.96Å; F287-M291 HydrophobicContact CD1-CG 4.43Å; F287-M291 HydrophobicContact CD2-CG 4.12Å; F287-M291 HydrophobicContact CE1-CG 4.2Å; F287-M291 HydrophobicContact CE2-CG 3.87Å; F287-M291 HydrophobicContact CE2-SD 4.26Å; F287-M291 HydrophobicContact CG-CG 4.4Å; F287-M291 HydrophobicContact CZ-CG 3.92Å; F287-M291 HydrophobicContact CZ-SD 4.43Å; F287-M291 VanDerWaalsContact O-CB 3.32Å; F287-M291 WeakPolarHBondContact O-CB 3.44Å; F287-M291 VanDerWaalsContact O-CG 3.26Å; F287-M291 WeakPolarHBondContact O-CG 3.34Å; F287-M291 PolarHBondContact O-N 3.39Å; F287-L326 HydrophobicContact CE2-CD2 4.44Å; F287-F329 HydrophobicContact CB-CD1 4.31Å; F287-F329 HydrophobicContact CB-CD2 4.39Å; F287-F329 HydrophobicContact CB-CE1 3.67Å; F287-F329 HydrophobicContact CB-CE2 3.76Å; F287-F329 HydrophobicContact CB-CZ 3.38Å; F287-F329 HydrophobicContact CD1-CE1 4.21Å; F287-F329 AromaticContact CD2-CD1 3.35Å; F287-F329 HydrophobicContact CD2-CD1 3.35Å; F287-F329 HydrophobicContact CD2-CD2 4.39Å; F287-F329 AromaticContact CD2-CE1 3.44Å; F287-F329 HydrophobicContact CD2-CE1 3.44Å; F287-F329 VanDerWaalsContact CD2-CE1 3.44Å; F287-F329 HydrophobicContact CD2-CE2 4.45Å; F287-F329 AromaticContact CD2-CG 3.9Å; F287-F329 HydrophobicContact CD2-CG 3.9Å; F287-F329 HydrophobicContact CD2-CZ 4.04Å; F287-F329 AromaticContact CE2-CD1 3.79Å; F287-F329 HydrophobicContact CE2-CD1 3.79Å; F287-F329 HydrophobicContact CE2-CE1 4.08Å; F287-F329 AromaticContact CG-CD1 3.95Å; F287-F329 HydrophobicContact CG-CD1 3.95Å; F287-F329 AromaticContact CG-CE1 3.51Å; F287-F329 HydrophobicContact CG-CE1 3.51Å; F287-F329 HydrophobicContact CG-CE2 4.43Å; F287-F329 AromaticContact CG-CZ 3.81Å; F287-F329 HydrophobicContact CG-CZ 3.81Å; F287-L330 HydrophobicContact CE2-CD2 4.44Å; F287-L330 HydrophobicContact CZ-CD2 4.41Å; F287-V337 HydrophobicContact CD1-CG1 4.4Å; F287-V337 HydrophobicContact CD1-CG2 3.97Å; F287-V337 HydrophobicContact CE1-CG1 3.98Å; F287-V337 HydrophobicContact CE1-CG2 4.13Å; F287-T346 HydrophobicContact CD1-CG2 4.15Å; F287-T346 HydrophobicContact CE1-CG2 3.7Å; F287-T346 HydrophobicContact CZ-CG2 4.4Å; F287-A350 HydrophobicContact CE2-CB 4.08Å; F287-A350 HydrophobicContact CZ-CB 3.64Å |
| 288 | T | 97.5 | Very high | 96.4 | Very high | 48 Ų | 48 | 44.6 Ų | 44.6 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.8 | -45.7 | -177.7 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | V284 N285 S292 | V284-T288 WeakPolarHBondContact O-CB 3.39Å; V284-T288 PolarHBondContact O-N 2.95Å; V284-T288 PolarHBondContact O-OG1 2.91Å; N285-T288 PolarHBondContact O-N 3.15Å; T288-S292 WeakPolarHBondContact O-CB 3.39Å; T288-S292 PolarHBondContact O-N 3.48Å; T288-S292 VanDerWaalsContact O-N 3.12Å |
| 289 | L | 97.4 | Very high | 96.5 | Very high | 31 Ų | 31 | 40.1 Ų | 40.1 | 16% | 0.162 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68 | -44.1 | 179.8 | -65.8 | -176.9 | 0 | 0 | 0 | 111.7 | V251 Y252 N285 F287 S292 Q293 | V251-L289 HydrophobicContact CB-CB 4.43Å; V251-L289 HydrophobicContact CG1-CB 3.84Å; V251-L289 HydrophobicContact CG2-CB 4.44Å; Y252-L289 HydrophobicContact CE2-CD1 4.07Å; Y252-L289 HydrophobicContact CE2-CD2 4.14Å; Y252-L289 WeakPolarHBondContact OH-CD2 3.25Å; N285-L289 VanDerWaalsContact O-CB 3.32Å; N285-L289 WeakPolarHBondContact O-CB 3.46Å; N285-L289 WeakPolarHBondContact O-CG 3.26Å; N285-L289 PolarHBondContact O-N 2.86Å; F287-L289 PolarHBondContact O-N 3.35Å; L289-S292 WeakPolarHBondContact O-CB 3.29Å; L289-S292 PolarHBondContact O-N 3Å; L289-Q293 PolarHBondContact O-N 3.26Å |
| 290 | T | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -47.1 | 179.8 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | L255 L265 L268 L286 F287 S292 Q293 L294 F325 | L255-T290 HydrophobicContact CD2-CG2 4Å; L265-T290 HydrophobicContact CD1-CG2 4.42Å; L268-T290 HydrophobicContact CD1-CG2 4.19Å; L286-T290 VanDerWaalsContact O-CB 3.23Å; L286-T290 WeakPolarHBondContact O-CB 3.44Å; L286-T290 PolarHBondContact O-N 3.45Å; L286-T290 PolarHBondContact O-OG1 3.41Å; F287-T290 PolarHBondContact O-N 2.96Å; T290-S292 VanDerWaalsContact C-N 3.29Å; T290-S292 PolarHBondContact O-N 3.07Å; T290-Q293 PolarHBondContact O-N 3.4Å; T290-Q293 VanDerWaalsContact O-N 3.14Å; T290-L294 HydrophobicContact CG2-CD1 3.97Å; T290-L294 HydrophobicContact CG2-CG 4.21Å; T290-L294 VanDerWaalsContact O-CG 3.31Å; T290-L294 WeakPolarHBondContact O-CG 3.35Å; T290-L294 PolarHBondContact O-N 3.09Å; T290-F325 HydrophobicContact CG2-CD1 4.21Å; T290-F325 HydrophobicContact CG2-CE1 3.56Å; T290-F325 HydrophobicContact CG2-CE2 4.29Å; T290-F325 HydrophobicContact CG2-CZ 3.62Å |
| 291 | M | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.1 | -38.1 | 176.9 | -73.8 | -61.5 | -59.4 | 0 | 0 | 112.6 | F287 Q293 L294 K295 L326 T346 E349 A350 Y353 | F287-M291 HydrophobicContact CD1-CG 4.43Å; F287-M291 HydrophobicContact CD2-CG 4.12Å; F287-M291 HydrophobicContact CE1-CG 4.2Å; F287-M291 HydrophobicContact CE2-CG 3.87Å; F287-M291 HydrophobicContact CE2-SD 4.26Å; F287-M291 HydrophobicContact CG-CG 4.4Å; F287-M291 HydrophobicContact CZ-CG 3.92Å; F287-M291 HydrophobicContact CZ-SD 4.43Å; F287-M291 VanDerWaalsContact O-CB 3.32Å; F287-M291 WeakPolarHBondContact O-CB 3.44Å; F287-M291 VanDerWaalsContact O-CG 3.26Å; F287-M291 WeakPolarHBondContact O-CG 3.34Å; F287-M291 PolarHBondContact O-N 3.39Å; M291-Q293 PolarHBondContact O-N 3.07Å; M291-L294 PolarHBondContact O-N 3.28Å; M291-L294 HydrophobicContact SD-CD1 3.95Å; M291-K295 WeakPolarHBondContact O-CG 3.39Å; M291-K295 PolarHBondContact O-N 3.35Å; M291-K295 VanDerWaalsContact O-N 3.12Å; M291-L326 HydrophobicContact SD-CD2 3.94Å; M291-T346 HydrophobicContact CB-CG2 3.56Å; M291-T346 HydrophobicContact CG-CG2 3.7Å; M291-E349 HydrophobicContact CE-CB 3.8Å; M291-A350 HydrophobicContact CE-CB 3.88Å; M291-A350 HydrophobicContact SD-CB 4.01Å; M291-Y353 HydrophobicContact CE-CD2 3.84Å; M291-Y353 HydrophobicContact CE-CE2 3.85Å |
| 292 | S | 96.5 | Very high | 96.5 | Very high | 57 Ų | 57 | 40.9 Ų | 40.9 | 40% | 0.399 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 175 | -174.9 | 0 | 0 | 0 | 0 | 112.9 | T288 L289 T290 Q296 | T288-S292 WeakPolarHBondContact O-CB 3.39Å; T288-S292 PolarHBondContact O-N 3.48Å; T288-S292 VanDerWaalsContact O-N 3.12Å; L289-S292 WeakPolarHBondContact O-CB 3.29Å; L289-S292 PolarHBondContact O-N 3Å; T290-S292 VanDerWaalsContact C-N 3.29Å; T290-S292 PolarHBondContact O-N 3.07Å; S292-Q296 PolarHBondContact O-NE2 2.94Å |
| 293 | Q | 97.1 | Very high | 96.4 | Very high | 12 Ų | 12 | 42.8 Ų | 42.8 | 6% | 0.056 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73 | -39.4 | 175.9 | -67.3 | -61.6 | -41.2 | 0 | 0 | 112.3 | V251 L255 N256 L289 T290 M291 K295 Q296 M297 | V251-Q293 HydrophobicContact CG1-CB 4.39Å; V251-Q293 HydrophobicContact CG1-CG 3.52Å; L255-Q293 HydrophobicContact CD2-CB 3.82Å; L255-Q293 HydrophobicContact CD2-CG 4.39Å; L255-Q293 HydrophobicContact CG-CB 4.44Å; N256-Q293 PolarHBondContact ND2-OE1 3.26Å; L289-Q293 PolarHBondContact O-N 3.26Å; T290-Q293 PolarHBondContact O-N 3.4Å; T290-Q293 VanDerWaalsContact O-N 3.14Å; M291-Q293 PolarHBondContact O-N 3.07Å; Q293-K295 VanDerWaalsContact C-N 3.29Å; Q293-K295 PolarHBondContact O-N 3.08Å; Q293-Q296 WeakPolarHBondContact O-CB 3.46Å; Q293-Q296 PolarHBondContact O-N 3.06Å; Q293-Q296 VanDerWaalsContact O-N 3.08Å; Q293-M297 HydrophobicContact CB-CE 4.39Å; Q293-M297 PolarHBondContact O-N 3.5Å; Q293-M297 VanDerWaalsContact O-N 3.15Å |
| 294 | L | 95.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.4 | -42 | 177.6 | -74 | 174.1 | 0 | 0 | 0 | 111.9 | T290 M291 Q296 M297 L298 F318 L322 Y353 | T290-L294 HydrophobicContact CG2-CD1 3.97Å; T290-L294 HydrophobicContact CG2-CG 4.21Å; T290-L294 VanDerWaalsContact O-CG 3.31Å; T290-L294 WeakPolarHBondContact O-CG 3.35Å; T290-L294 PolarHBondContact O-N 3.09Å; M291-L294 PolarHBondContact O-N 3.28Å; M291-L294 HydrophobicContact SD-CD1 3.95Å; L294-Q296 PolarHBondContact O-N 3.22Å; L294-M297 HydrophobicContact CD2-CE 3.85Å; L294-M297 PolarHBondContact O-N 3.38Å; L294-L298 PolarHBondContact O-N 2.88Å; L294-F318 HydrophobicContact CD2-CZ 3.95Å; L294-L322 HydrophobicContact CD1-CD1 3.53Å; L294-L322 HydrophobicContact CD2-CD1 3.78Å; L294-L322 HydrophobicContact CG-CD1 4.29Å; L294-Y353 HydrophobicContact CB-CE2 4.34Å; L294-Y353 PolarHBondContact O-OH 3.34Å |
| 295 | K | 94.9 | Very high | 96.4 | Very high | 73 Ų | 73 | 45.7 Ų | 45.7 | 32% | 0.317 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.4 | -29.2 | 177.1 | -72.1 | -172 | -58.9 | -165.8 | 0 | 114.3 | M291 Q293 L300 E349 Y353 | M291-K295 WeakPolarHBondContact O-CG 3.39Å; M291-K295 PolarHBondContact O-N 3.35Å; M291-K295 VanDerWaalsContact O-N 3.12Å; Q293-K295 VanDerWaalsContact C-N 3.29Å; Q293-K295 PolarHBondContact O-N 3.08Å; K295-L300 HydrophobicContact CD-CD1 4.36Å; K295-E349 VanDerWaalsContact CD-CD 3.49Å; K295-E349 VanDerWaalsContact CD-OE1 3.23Å; K295-E349 WeakPolarHBondContact CD-OE1 3.29Å; K295-E349 WeakPolarHBondContact CD-OE2 3.45Å; K295-E349 WeakPolarHBondContact CE-OE2 3.47Å; K295-E349 IonicContact NZ-OE1 3.56Å; K295-E349 PolarHBondContact NZ-OE1 2.92Å; K295-E349 IonicContact NZ-OE2 2.83Å; K295-E349 PolarHBondContact NZ-OE2 2.83Å; K295-Y353 VanDerWaalsContact CA-OH 3.3Å; K295-Y353 WeakPolarHBondContact CA-OH 3.4Å; K295-Y353 HydrophobicContact CG-CE2 4.46Å; K295-Y353 PolarHBondContact N-OH 3.05Å |
| 296 | Q | 94.4 | Very high | 96.4 | Very high | 130 Ų | 130 | 44.7 Ų | 44.7 | 61% | 0.607 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -78.1 | -41.6 | 177.1 | -63 | 175.9 | 39.1 | 0 | 0 | 111.2 | S292 Q293 L294 | S292-Q296 PolarHBondContact O-NE2 2.94Å; Q293-Q296 WeakPolarHBondContact O-CB 3.46Å; Q293-Q296 PolarHBondContact O-N 3.06Å; Q293-Q296 VanDerWaalsContact O-N 3.08Å; L294-Q296 PolarHBondContact O-N 3.22Å |
| 297 | M | 95.3 | Very high | 96.3 | Very high | 50 Ų | 50 | 46.4 Ų | 46.4 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -77.6 | -36.5 | -177.8 | -64.8 | -174.7 | -72.9 | 0 | 0 | 113.4 | L255 N256 Q293 L294 F318 | L255-M297 HydrophobicContact CD1-CE 4.12Å; L255-M297 HydrophobicContact CD2-CE 4.22Å; L255-M297 HydrophobicContact CG-CE 3.71Å; N256-M297 HydrophobicContact CB-SD 4.49Å; Q293-M297 HydrophobicContact CB-CE 4.39Å; Q293-M297 PolarHBondContact O-N 3.5Å; Q293-M297 VanDerWaalsContact O-N 3.15Å; L294-M297 HydrophobicContact CD2-CE 3.85Å; L294-M297 PolarHBondContact O-N 3.38Å; M297-F318 HydrophobicContact CE-CE2 4.33Å; M297-F318 HydrophobicContact CE-CZ 3.85Å; M297-F318 HydrophobicContact SD-CZ 4.21Å |
| 298 | L | 95.4 | Very high | 96.3 | Very high | 18 Ų | 18 | 47.9 Ų | 47.9 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -135.3 | 82.6 | -175.7 | -171.2 | 64.4 | 0 | 0 | 0 | 109.2 | L294 T302 I304 L322 Y353 | L294-L298 PolarHBondContact O-N 2.88Å; L298-T302 HydrophobicContact CD1-CG2 3.91Å; L298-I304 HydrophobicContact CD2-CD1 3.74Å; L298-I304 HydrophobicContact CD2-CG1 4.22Å; L298-I304 HydrophobicContact CG-CD1 4.43Å; L298-L322 HydrophobicContact CD2-CD2 3.76Å; L298-Y353 HydrophobicContact CB-CE1 4.34Å; L298-Y353 HydrophobicContact CD2-CD1 4.43Å; L298-Y353 HydrophobicContact CD2-CE1 4.08Å; L298-Y353 HydrophobicContact CG-CE1 4.14Å; L298-Y353 VanDerWaalsContact O-CE1 3.28Å; L298-Y353 WeakPolarHBondContact O-CE1 3.44Å; L298-Y353 PolarHBondContact O-OH 3.42Å |
| 299 | P | 96.3 | Very high | 96.3 | Very high | 56 Ų | 56 | 49 Ų | 49 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | trans | -53 | 141.9 | 179.7 | -29.2 | 37.6 | 0 | 0 | 0 | 112.6 | N301 T302 | P299-N301 WeakPolarHBondContact CB-OD1 3.4Å; P299-N301 PolarHBondContact O-N 2.93Å; P299-N301 VanDerWaalsContact O-N 3.08Å; P299-T302 WeakPolarHBondContact O-CB 3.44Å; P299-T302 PolarHBondContact O-N 3.43Å; P299-T302 PolarHBondContact O-OG1 2.93Å | ||
| 300 | L | 94.1 | Very high | 96.2 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.7 | -175.5 | -69.5 | 166.2 | 0 | 0 | 0 | 114.1 | K295 T302 E349 H352 Y353 L356 | K295-L300 HydrophobicContact CD-CD1 4.36Å; L300-T302 VanDerWaalsContact C-N 3.31Å; L300-E349 HydrophobicContact CD1-CB 4.13Å; L300-E349 HydrophobicContact CD1-CG 3.83Å; L300-H352 HydrophobicContact CD2-CB 4.46Å; L300-Y353 HydrophobicContact CD2-CD1 3.99Å; L300-Y353 HydrophobicContact CD2-CD2 3.74Å; L300-Y353 HydrophobicContact CD2-CE1 3.74Å; L300-Y353 HydrophobicContact CD2-CE2 3.49Å; L300-Y353 VanDerWaalsContact CD2-CE2 3.49Å; L300-Y353 HydrophobicContact CD2-CG 3.98Å; L300-Y353 VanDerWaalsContact CD2-CZ 3.47Å; L300-Y353 HydrophobicContact CG-CE2 4.38Å; L300-L356 WeakPolarHBondContact O-CD1 3.48Å |
| 301 | N | 94.7 | Very high | 96 | Very high | 147 Ų | 147 | 54.4 Ų | 54.4 | 79% | 0.786 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 0.2 | 173 | 63.8 | -18.6 | 0 | 0 | 0 | 113.4 | P299 | P299-N301 WeakPolarHBondContact CB-OD1 3.4Å; P299-N301 PolarHBondContact O-N 2.93Å; P299-N301 VanDerWaalsContact O-N 3.08Å |
| 302 | T | 96 | Very high | 95.9 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 24% | 0.239 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -71.2 | 130.6 | 178.4 | -52.4 | 0 | 0 | 0 | 0 | 110.1 | L298 P299 L300 I304 A307 | L298-T302 HydrophobicContact CD1-CG2 3.91Å; P299-T302 WeakPolarHBondContact O-CB 3.44Å; P299-T302 PolarHBondContact O-N 3.43Å; P299-T302 PolarHBondContact O-OG1 2.93Å; L300-T302 VanDerWaalsContact C-N 3.31Å; T302-I304 PolarHBondContact O-N 3.28Å; T302-A307 HydrophobicContact CG2-CB 4.26Å |
| 303 | N | 96.6 | Very high | 95.9 | Very high | 94 Ų | 94 | 64.6 Ų | 64.6 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | trans | -75.8 | 90.2 | 169.6 | -172.3 | -33.1 | 0 | 0 | 0 | 109.5 | K305 V306 A307 | N303-K305 VanDerWaalsContact C-N 3.26Å; N303-K305 PolarHBondContact O-N 2.97Å; N303-K305 WeakPolarHBondContact OD1-CB 3.36Å; N303-K305 PolarHBondContact OD1-N 2.76Å; N303-V306 HydrophobicContact CB-CB 4.29Å; N303-V306 HydrophobicContact CB-CG2 4.37Å; N303-V306 PolarHBondContact O-N 2.91Å; N303-V306 VanDerWaalsContact O-N 3.12Å; N303-V306 PolarHBondContact OD1-N 3.31Å; N303-V306 VanDerWaalsContact OD1-N 3.15Å; N303-A307 PolarHBondContact O-N 2.84Å | ||
| 304 | I | 97.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.5 | -35.6 | -175.3 | -60.4 | -174.9 | 0 | 0 | 0 | 111.6 | L298 T302 V306 A307 Y308 I319 Y353 L356 V357 V360 | L298-I304 HydrophobicContact CD2-CD1 3.74Å; L298-I304 HydrophobicContact CD2-CG1 4.22Å; L298-I304 HydrophobicContact CG-CD1 4.43Å; T302-I304 PolarHBondContact O-N 3.28Å; I304-V306 VanDerWaalsContact C-N 3.34Å; I304-V306 PolarHBondContact O-N 3.44Å; I304-A307 PolarHBondContact O-N 3.15Å; I304-Y308 VanDerWaalsContact O-CB 3.31Å; I304-Y308 WeakPolarHBondContact O-CB 3.49Å; I304-Y308 PolarHBondContact O-N 2.86Å; I304-I319 HydrophobicContact CG2-CD1 3.86Å; I304-I319 HydrophobicContact CG2-CG1 4.18Å; I304-I319 HydrophobicContact CG2-CG2 3.84Å; I304-Y353 HydrophobicContact CD1-CD1 4.12Å; I304-L356 HydrophobicContact CB-CB 4.3Å; I304-L356 HydrophobicContact CD1-CB 3.54Å; I304-L356 HydrophobicContact CD1-CD1 4.16Å; I304-L356 HydrophobicContact CG1-CB 3.93Å; I304-L356 HydrophobicContact CG1-CD1 4.47Å; I304-V357 HydrophobicContact CD1-CG2 3.78Å; I304-V357 HydrophobicContact CG2-CG2 4.2Å; I304-V360 HydrophobicContact CG2-CG2 3.79Å |
| 305 | K | 96.3 | Very high | 95.8 | Very high | 69 Ų | 69 | 70.8 Ų | 70.8 | 30% | 0.3 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -55.4 | -48.1 | 174.2 | 174 | -176 | -178.7 | 159.8 | 0 | 112 | N303 A309 E359 E361 | N303-K305 VanDerWaalsContact C-N 3.26Å; N303-K305 PolarHBondContact O-N 2.97Å; N303-K305 WeakPolarHBondContact OD1-CB 3.36Å; N303-K305 PolarHBondContact OD1-N 2.76Å; K305-A309 WeakPolarHBondContact O-CB 3.37Å; K305-A309 PolarHBondContact O-N 3.41Å; K305-A309 VanDerWaalsContact O-N 3.13Å; K305-E359 HydrophobicContact CB-CB 4.26Å; K305-E359 WeakPolarHBondContact CD-O 2.98Å; K305-E359 WeakPolarHBondContact CG-O 3.32Å; K305-E361 WeakPolarHBondContact CE-OE1 3.31Å; K305-E361 IonicContact NZ-OE1 3Å; K305-E361 PolarHBondContact NZ-OE1 3.3Å |
| 306 | V | 97 | Very high | 95.9 | Very high | 69 Ų | 69 | 69.8 Ų | 69.8 | 42% | 0.418 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72.8 | -38.6 | 179 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | N303 I304 Y308 A309 N310 | N303-V306 HydrophobicContact CB-CB 4.29Å; N303-V306 HydrophobicContact CB-CG2 4.37Å; N303-V306 PolarHBondContact O-N 2.91Å; N303-V306 VanDerWaalsContact O-N 3.12Å; N303-V306 PolarHBondContact OD1-N 3.31Å; N303-V306 VanDerWaalsContact OD1-N 3.15Å; I304-V306 VanDerWaalsContact C-N 3.34Å; I304-V306 PolarHBondContact O-N 3.44Å; V306-Y308 VanDerWaalsContact C-N 3.31Å; V306-Y308 PolarHBondContact O-N 3.37Å; V306-A309 PolarHBondContact O-N 3.3Å; V306-N310 WeakPolarHBondContact CG1-ND2 3.31Å; V306-N310 PolarHBondContact O-N 3.31Å; V306-N310 VanDerWaalsContact O-N 3.11Å; V306-N310 PolarHBondContact O-ND2 3.46Å |
| 307 | A | 96.2 | Very high | 96.1 | Very high | 36 Ų | 36 | 67 Ų | 67 | 30% | 0.298 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T302 N303 I304 G311 | T302-A307 HydrophobicContact CG2-CB 4.26Å; N303-A307 PolarHBondContact O-N 2.84Å; I304-A307 PolarHBondContact O-N 3.15Å; A307-G311 WeakPolarHBondContact O-CA 3.25Å; A307-G311 PolarHBondContact O-N 3.34Å |
| 308 | Y | 97.4 | Very high | 96.2 | Very high | 30 Ų | 30 | 64.9 Ų | 64.9 | 12% | 0.118 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.5 | -48.8 | 175.3 | -173.4 | -89.2 | 0 | 0 | 0 | 112 | I304 V306 N310 G311 Q316 I319 V360 E362 I365 | I304-Y308 VanDerWaalsContact O-CB 3.31Å; I304-Y308 WeakPolarHBondContact O-CB 3.49Å; I304-Y308 PolarHBondContact O-N 2.86Å; V306-Y308 VanDerWaalsContact C-N 3.31Å; V306-Y308 PolarHBondContact O-N 3.37Å; Y308-N310 VanDerWaalsContact C-N 3.27Å; Y308-N310 PolarHBondContact O-N 3.07Å; Y308-G311 PolarHBondContact O-N 3.28Å; Y308-G311 VanDerWaalsContact O-N 3.15Å; Y308-Q316 HydrophobicContact CD1-CG 4.43Å; Y308-Q316 HydrophobicContact CD2-CB 4.01Å; Y308-Q316 HydrophobicContact CD2-CG 3.86Å; Y308-Q316 HydrophobicContact CE1-CG 4.24Å; Y308-Q316 HydrophobicContact CE2-CB 3.45Å; Y308-Q316 VanDerWaalsContact CE2-CB 3.45Å; Y308-Q316 HydrophobicContact CE2-CG 3.63Å; Y308-Q316 HydrophobicContact CG-CG 4.25Å; Y308-Q316 PolarHBondContact O-NE2 3.16Å; Y308-Q316 VanDerWaalsContact O-NE2 3.13Å; Y308-I319 HydrophobicContact CD2-CB 4.04Å; Y308-I319 HydrophobicContact CD2-CD1 3.87Å; Y308-I319 HydrophobicContact CD2-CG2 4.06Å; Y308-I319 HydrophobicContact CG-CD1 4.37Å; Y308-V360 HydrophobicContact CD1-CG1 3.43Å; Y308-V360 VanDerWaalsContact CD1-CG1 3.43Å; Y308-V360 HydrophobicContact CD2-CG1 3.92Å; Y308-V360 HydrophobicContact CE1-CG1 3.9Å; Y308-V360 HydrophobicContact CE2-CG1 4.34Å; Y308-V360 HydrophobicContact CG-CG1 3.45Å; Y308-V360 VanDerWaalsContact CG-CG1 3.45Å; Y308-V360 HydrophobicContact CG-CG2 4.47Å; Y308-E362 HydrophobicContact CE1-CB 3.85Å; Y308-E362 HydrophobicContact CE1-CG 4.44Å; Y308-I365 HydrophobicContact CD2-CD1 3.93Å; Y308-I365 HydrophobicContact CE2-CD1 3.25Å |
| 309 | A | 96.4 | Very high | 96.3 | Very high | 72 Ų | 72 | 64.4 Ų | 64.4 | 60% | 0.595 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.5 | -32.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K305 V306 | K305-A309 WeakPolarHBondContact O-CB 3.37Å; K305-A309 PolarHBondContact O-N 3.41Å; K305-A309 VanDerWaalsContact O-N 3.13Å; V306-A309 PolarHBondContact O-N 3.3Å |
| 310 | N | 96.4 | Very high | 96.4 | Very high | 131 Ų | 131 | 64.5 Ų | 64.5 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -99.9 | -4.7 | 177.9 | -61.8 | -38.4 | 0 | 0 | 0 | 113.3 | V306 Y308 | V306-N310 WeakPolarHBondContact CG1-ND2 3.31Å; V306-N310 PolarHBondContact O-N 3.31Å; V306-N310 VanDerWaalsContact O-N 3.11Å; V306-N310 PolarHBondContact O-ND2 3.46Å; Y308-N310 VanDerWaalsContact C-N 3.27Å; Y308-N310 PolarHBondContact O-N 3.07Å |
| 311 | G | 94.6 | Very high | 96.6 | Very high | 13 Ų | 13 | 62.8 Ų | 62.8 | 13% | 0.134 | 34% | 0.339 | C | S | . | . | trans | -76.9 | 158.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A307 Y308 E315 Q316 | A307-G311 WeakPolarHBondContact O-CA 3.25Å; A307-G311 PolarHBondContact O-N 3.34Å; Y308-G311 PolarHBondContact O-N 3.28Å; Y308-G311 VanDerWaalsContact O-N 3.15Å; G311-E315 WeakPolarHBondContact CA-OE2 3.45Å; G311-Q316 PolarHBondContact O-NE2 3.19Å | ||
| 312 | K | 95.8 | Very high | 96.8 | Very high | 149 Ų | 149 | 55.8 Ų | 55.8 | 65% | 0.648 | 30% | 0.301 | S | S | * | . | trans | -78.1 | 167 | 171.3 | -65.6 | 177.4 | -176.7 | 175.6 | 0 | 111 | D314 E315 Q316 | K312-D314 VanDerWaalsContact CB-OD1 3.24Å; K312-D314 WeakPolarHBondContact CB-OD1 3.31Å; K312-D314 PolarHBondContact O-N 2.84Å; K312-D314 VanDerWaalsContact O-N 3.09Å; K312-E315 PolarHBondContact N-OE2 3.26Å; K312-E315 WeakPolarHBondContact O-CB 3.46Å; K312-E315 PolarHBondContact O-N 3.47Å; K312-Q316 WeakPolarHBondContact O-CG 3.47Å; K312-Q316 PolarHBondContact O-N 3.45Å | ||
| 313 | D | 95.8 | Very high | 96.9 | Very high | 122 Ų | 122 | 53.9 Ų | 53.9 | 65% | 0.652 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -49.6 | -39.5 | 178.2 | -63.6 | -8.7 | 0 | 0 | 0 | 112.8 | N317 | D313-N317 VanDerWaalsContact O-CB 3.26Å; D313-N317 WeakPolarHBondContact O-CB 3.28Å; D313-N317 PolarHBondContact O-N 2.87Å; D313-N317 PolarHBondContact O-ND2 3.41Å |
| 314 | D | 95.3 | Very high | 97 | Very high | 64 Ų | 64 | 52.3 Ų | 52.3 | 34% | 0.342 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71 | -32.4 | -179.7 | 70 | -66.7 | 0 | 0 | 0 | 113.3 | R261 N262 K312 F318 | R261-D314 IonicContact CZ-OD2 3.87Å; R261-D314 IonicContact NH2-OD2 3.62Å; R261-D314 PolarHBondContact NH2-OD2 2.98Å; N262-D314 PolarHBondContact ND2-O 3.46Å; K312-D314 VanDerWaalsContact CB-OD1 3.24Å; K312-D314 WeakPolarHBondContact CB-OD1 3.31Å; K312-D314 PolarHBondContact O-N 2.84Å; K312-D314 VanDerWaalsContact O-N 3.09Å; D314-F318 WeakPolarHBondContact O-CB 3.28Å; D314-F318 PolarHBondContact O-N 2.99Å |
| 315 | E | 95.9 | Very high | 97.1 | Very high | 79 Ų | 79 | 52.3 Ų | 52.3 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -74.8 | -41.2 | 175 | -69.4 | 172.5 | 142.8 | 0 | 0 | 111.2 | G311 K312 F318 I319 | G311-E315 WeakPolarHBondContact CA-OE2 3.45Å; K312-E315 PolarHBondContact N-OE2 3.26Å; K312-E315 WeakPolarHBondContact O-CB 3.46Å; K312-E315 PolarHBondContact O-N 3.47Å; E315-F318 WeakPolarHBondContact O-CB 3.46Å; E315-F318 PolarHBondContact O-N 3.42Å; E315-I319 WeakPolarHBondContact O-CG1 3.4Å; E315-I319 PolarHBondContact O-N 3.24Å |
| 316 | Q | 97.3 | Very high | 97.2 | Very high | 52 Ų | 52 | 49 Ų | 49 | 24% | 0.243 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 173.7 | -69.7 | -178 | -9.6 | 0 | 0 | 111.1 | Y308 G311 K312 F318 I319 Q320 | Y308-Q316 HydrophobicContact CD1-CG 4.43Å; Y308-Q316 HydrophobicContact CD2-CB 4.01Å; Y308-Q316 HydrophobicContact CD2-CG 3.86Å; Y308-Q316 HydrophobicContact CE1-CG 4.24Å; Y308-Q316 HydrophobicContact CE2-CB 3.45Å; Y308-Q316 VanDerWaalsContact CE2-CB 3.45Å; Y308-Q316 HydrophobicContact CE2-CG 3.63Å; Y308-Q316 HydrophobicContact CG-CG 4.25Å; Y308-Q316 PolarHBondContact O-NE2 3.16Å; Y308-Q316 VanDerWaalsContact O-NE2 3.13Å; G311-Q316 PolarHBondContact O-NE2 3.19Å; K312-Q316 WeakPolarHBondContact O-CG 3.47Å; K312-Q316 PolarHBondContact O-N 3.45Å; Q316-F318 VanDerWaalsContact C-N 3.27Å; Q316-F318 PolarHBondContact O-N 3.44Å; Q316-I319 PolarHBondContact O-N 3.07Å; Q316-Q320 PolarHBondContact O-N 3.04Å |
| 317 | N | 97.3 | Very high | 97.3 | Very high | 71 Ų | 71 | 46 Ų | 46 | 38% | 0.38 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.9 | -38.6 | 173 | -79 | -50 | 0 | 0 | 0 | 111.9 | D313 Q320 N321 | D313-N317 VanDerWaalsContact O-CB 3.26Å; D313-N317 WeakPolarHBondContact O-CB 3.28Å; D313-N317 PolarHBondContact O-N 2.87Å; D313-N317 PolarHBondContact O-ND2 3.41Å; N317-Q320 PolarHBondContact O-N 3.03Å; N317-N321 WeakPolarHBondContact O-CB 3.47Å; N317-N321 PolarHBondContact O-N 3.33Å; N317-N321 PolarHBondContact O-ND2 3.41Å |
| 318 | F | 98.1 | Very high | 97.4 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.2 | -42.3 | 178.2 | 178.8 | -105.9 | 0 | 0 | 0 | 112.1 | R261 N262 L265 L294 M297 D314 E315 Q316 Q320 N321 L322 | R261-F318 HydrophobicContact CB-CD2 4.14Å; R261-F318 HydrophobicContact CB-CE2 4.07Å; R261-F318 HydrophobicContact CG-CD2 3.7Å; R261-F318 HydrophobicContact CG-CE2 4.11Å; R261-F318 HydrophobicContact CG-CG 4.37Å; N262-F318 WeakPolarHBondContact OD1-CA 3.43Å; N262-F318 WeakPolarHBondContact OD1-CB 3.43Å; N262-F318 PolarHBondContact OD1-N 2.89Å; N262-F318 VanDerWaalsContact OD1-N 3.09Å; L265-F318 HydrophobicContact CD2-CD2 4.06Å; L265-F318 HydrophobicContact CD2-CE2 3.77Å; L265-F318 HydrophobicContact CD2-CZ 4.5Å; L294-F318 HydrophobicContact CD2-CZ 3.95Å; M297-F318 HydrophobicContact CE-CE2 4.33Å; M297-F318 HydrophobicContact CE-CZ 3.85Å; M297-F318 HydrophobicContact SD-CZ 4.21Å; D314-F318 WeakPolarHBondContact O-CB 3.28Å; D314-F318 PolarHBondContact O-N 2.99Å; E315-F318 WeakPolarHBondContact O-CB 3.46Å; E315-F318 PolarHBondContact O-N 3.42Å; Q316-F318 VanDerWaalsContact C-N 3.27Å; Q316-F318 PolarHBondContact O-N 3.44Å; F318-Q320 VanDerWaalsContact C-N 3.34Å; F318-N321 PolarHBondContact O-N 3.12Å; F318-L322 WeakPolarHBondContact O-CB 3.48Å; F318-L322 PolarHBondContact O-N 3.41Å |
| 319 | I | 98.2 | Very high | 97.4 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 175.8 | -67.9 | 167.4 | 0 | 0 | 0 | 110.8 | I304 Y308 E315 Q316 L322 S323 V357 V360 I365 | I304-I319 HydrophobicContact CG2-CD1 3.86Å; I304-I319 HydrophobicContact CG2-CG1 4.18Å; I304-I319 HydrophobicContact CG2-CG2 3.84Å; Y308-I319 HydrophobicContact CD2-CB 4.04Å; Y308-I319 HydrophobicContact CD2-CD1 3.87Å; Y308-I319 HydrophobicContact CD2-CG2 4.06Å; Y308-I319 HydrophobicContact CG-CD1 4.37Å; E315-I319 WeakPolarHBondContact O-CG1 3.4Å; E315-I319 PolarHBondContact O-N 3.24Å; Q316-I319 PolarHBondContact O-N 3.07Å; I319-L322 WeakPolarHBondContact O-CB 3.31Å; I319-L322 PolarHBondContact O-N 2.88Å; I319-S323 PolarHBondContact O-N 3Å; I319-V357 HydrophobicContact CG2-CG1 4.07Å; I319-V357 HydrophobicContact CG2-CG2 4.4Å; I319-V360 HydrophobicContact CG2-CG2 4.33Å; I319-I365 HydrophobicContact CG2-CD1 4.35Å |
| 320 | Q | 98.3 | Very high | 97.5 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 28% | 0.276 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.4 | -48.5 | 173.9 | -173.7 | 178 | 9.7 | 0 | 0 | 111.6 | Q316 N317 F318 L322 S323 L324 I365 I368 | Q316-Q320 PolarHBondContact O-N 3.04Å; N317-Q320 PolarHBondContact O-N 3.03Å; F318-Q320 VanDerWaalsContact C-N 3.34Å; Q320-L322 VanDerWaalsContact C-N 3.26Å; Q320-L322 PolarHBondContact O-N 2.87Å; Q320-S323 WeakPolarHBondContact O-CB 3.47Å; Q320-S323 PolarHBondContact O-N 3.12Å; Q320-S323 VanDerWaalsContact O-N 3.08Å; Q320-S323 PolarHBondContact O-OG 3Å; Q320-L324 PolarHBondContact O-N 3.42Å; Q320-I365 HydrophobicContact CB-CD1 4.11Å; Q320-I365 HydrophobicContact CB-CG1 4.09Å; Q320-I365 HydrophobicContact CG-CG1 4.14Å; Q320-I368 HydrophobicContact CG-CD1 4.18Å |
| 321 | N | 98.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -34.4 | 177.6 | -66.9 | -35.8 | 0 | 0 | 0 | 111.9 | N262 L265 K266 N317 F318 L324 F325 | N262-N321 PolarHBondContact OD1-ND2 3.22Å; L265-N321 HydrophobicContact CB-CB 4.46Å; L265-N321 HydrophobicContact CD2-CB 3.87Å; L265-N321 HydrophobicContact CG-CB 4.19Å; K266-N321 VanDerWaalsContact CE-OD1 3.3Å; K266-N321 WeakPolarHBondContact CE-OD1 3.49Å; N317-N321 WeakPolarHBondContact O-CB 3.47Å; N317-N321 PolarHBondContact O-N 3.33Å; N317-N321 PolarHBondContact O-ND2 3.41Å; F318-N321 PolarHBondContact O-N 3.12Å; N321-L324 PolarHBondContact O-N 3.15Å; N321-F325 WeakPolarHBondContact O-CB 3.44Å; N321-F325 PolarHBondContact O-N 2.9Å |
| 322 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 172 | 172.9 | 62.6 | 0 | 0 | 0 | 111.8 | L265 L294 L298 F318 I319 Q320 L324 F325 L326 Y353 V357 | L265-L322 HydrophobicContact CD2-CB 4.2Å; L294-L322 HydrophobicContact CD1-CD1 3.53Å; L294-L322 HydrophobicContact CD2-CD1 3.78Å; L294-L322 HydrophobicContact CG-CD1 4.29Å; L298-L322 HydrophobicContact CD2-CD2 3.76Å; F318-L322 WeakPolarHBondContact O-CB 3.48Å; F318-L322 PolarHBondContact O-N 3.41Å; I319-L322 WeakPolarHBondContact O-CB 3.31Å; I319-L322 PolarHBondContact O-N 2.88Å; Q320-L322 VanDerWaalsContact C-N 3.26Å; Q320-L322 PolarHBondContact O-N 2.87Å; L322-L324 VanDerWaalsContact C-N 3.32Å; L322-L324 PolarHBondContact O-N 3.42Å; L322-F325 PolarHBondContact O-N 3.31Å; L322-L326 HydrophobicContact CD1-CD1 3.8Å; L322-L326 HydrophobicContact CD1-CG 3.96Å; L322-L326 HydrophobicContact CG-CD1 4.18Å; L322-L326 WeakPolarHBondContact O-CG 3.43Å; L322-L326 PolarHBondContact O-N 3.4Å; L322-Y353 HydrophobicContact CD2-CD1 4.33Å; L322-V357 HydrophobicContact CD2-CG2 4.27Å |
| 323 | S | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.5 | 74.7 | 0 | 0 | 0 | 0 | 112 | I319 Q320 C327 | I319-S323 PolarHBondContact O-N 3Å; Q320-S323 WeakPolarHBondContact O-CB 3.47Å; Q320-S323 PolarHBondContact O-N 3.12Å; Q320-S323 VanDerWaalsContact O-N 3.08Å; Q320-S323 PolarHBondContact O-OG 3Å; S323-C327 WeakPolarHBondContact O-CB 3.44Å; S323-C327 PolarHBondContact O-N 3.21Å |
| 324 | L | 98.6 | Very high | 97.7 | Very high | 61 Ų | 61 | 30.8 Ų | 30.8 | 32% | 0.319 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64.1 | -47.4 | 176.7 | -71.2 | 170.9 | 0 | 0 | 0 | 111.5 | T269 Q320 N321 L322 T328 I368 | T269-L324 HydrophobicContact CG2-CB 4.28Å; Q320-L324 PolarHBondContact O-N 3.42Å; N321-L324 PolarHBondContact O-N 3.15Å; L322-L324 VanDerWaalsContact C-N 3.32Å; L322-L324 PolarHBondContact O-N 3.42Å; L324-T328 WeakPolarHBondContact O-CB 3.37Å; L324-T328 PolarHBondContact O-N 3.34Å; L324-T328 PolarHBondContact O-OG1 2.59Å; L324-I368 HydrophobicContact CD2-CD1 3.63Å; L324-I368 HydrophobicContact CD2-CG1 3.95Å; L324-I368 HydrophobicContact CD2-CG2 4.04Å; L324-I368 HydrophobicContact CG-CD1 3.95Å |
| 325 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.9 | -52.8 | 177.6 | 173.7 | -102.3 | 0 | 0 | 0 | 111.7 | L265 L268 T269 A272 T290 N321 L322 T328 F329 | L265-F325 HydrophobicContact CD1-CB 3.84Å; L265-F325 HydrophobicContact CD1-CD1 4.3Å; L265-F325 HydrophobicContact CD1-CD2 4.19Å; L265-F325 HydrophobicContact CD1-CG 3.83Å; L265-F325 HydrophobicContact CG-CB 4.3Å; L268-F325 HydrophobicContact CB-CD2 4.21Å; L268-F325 HydrophobicContact CB-CE2 4.1Å; T269-F325 WeakPolarHBondContact OG1-CA 3.32Å; T269-F325 WeakPolarHBondContact OG1-CB 3.33Å; A272-F325 HydrophobicContact CB-CD2 4.31Å; A272-F325 HydrophobicContact CB-CE2 4.06Å; T290-F325 HydrophobicContact CG2-CD1 4.21Å; T290-F325 HydrophobicContact CG2-CE1 3.56Å; T290-F325 HydrophobicContact CG2-CE2 4.29Å; T290-F325 HydrophobicContact CG2-CZ 3.62Å; N321-F325 WeakPolarHBondContact O-CB 3.44Å; N321-F325 PolarHBondContact O-N 2.9Å; L322-F325 PolarHBondContact O-N 3.31Å; F325-T328 PolarHBondContact O-N 2.73Å; F325-F329 VanDerWaalsContact O-CB 3.32Å; F325-F329 WeakPolarHBondContact O-CB 3.44Å; F325-F329 PolarHBondContact O-N 3.5Å |
| 326 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | -177.2 | -68.7 | 179.2 | 0 | 0 | 0 | 111.8 | F287 M291 L322 L330 A350 Y353 M354 | F287-L326 HydrophobicContact CE2-CD2 4.44Å; M291-L326 HydrophobicContact SD-CD2 3.94Å; L322-L326 HydrophobicContact CD1-CD1 3.8Å; L322-L326 HydrophobicContact CD1-CG 3.96Å; L322-L326 HydrophobicContact CG-CD1 4.18Å; L322-L326 WeakPolarHBondContact O-CG 3.43Å; L322-L326 PolarHBondContact O-N 3.4Å; L326-L330 WeakPolarHBondContact O-CB 3.47Å; L326-L330 WeakPolarHBondContact O-CD1 3.17Å; L326-L330 WeakPolarHBondContact O-CG 3.3Å; L326-L330 PolarHBondContact O-N 3.37Å; L326-A350 HydrophobicContact CD2-CB 4.05Å; L326-Y353 HydrophobicContact CD1-CG 4.42Å; L326-M354 HydrophobicContact CB-CG 4.16Å; L326-M354 HydrophobicContact CB-SD 3.54Å; L326-M354 VanDerWaalsContact CB-SD 3.54Å; L326-M354 HydrophobicContact CD1-CG 4.19Å; L326-M354 HydrophobicContact CD1-SD 4.07Å; L326-M354 HydrophobicContact CG-SD 4.47Å |
| 327 | C | 98.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 26.8 Ų | 26.8 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.9 | -50.1 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | S323 K331 M354 I368 | S323-C327 WeakPolarHBondContact O-CB 3.44Å; S323-C327 PolarHBondContact O-N 3.21Å; C327-K331 WeakPolarHBondContact O-CB 3.42Å; C327-K331 VanDerWaalsContact O-CG 3.22Å; C327-K331 WeakPolarHBondContact O-CG 3.44Å; C327-K331 PolarHBondContact O-N 3.38Å; C327-M354 HydrophobicContact CB-CE 4.4Å; C327-I368 HydrophobicContact CB-CG2 3.89Å; C327-I368 PolarHBondContact SG-O 2.9Å; C327-I368 VanDerWaalsContact SG-O 3.36Å |
| 328 | T | 98.4 | Very high | 97.4 | Very high | 43 Ų | 43 | 24.2 Ų | 24.2 | 26% | 0.264 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -60.7 | -53.8 | -179.5 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | T269 L324 F325 L330 K331 E332 | T269-T328 HydrophobicContact CG2-CG2 4.49Å; L324-T328 WeakPolarHBondContact O-CB 3.37Å; L324-T328 PolarHBondContact O-N 3.34Å; L324-T328 PolarHBondContact O-OG1 2.59Å; F325-T328 PolarHBondContact O-N 2.73Å; T328-L330 PolarHBondContact O-N 2.89Å; T328-K331 PolarHBondContact O-N 3.44Å; T328-E332 PolarHBondContact O-N 2.92Å; T328-E332 VanDerWaalsContact O-N 3.09Å |
| 329 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | -177.6 | -173.3 | -82.5 | 0 | 0 | 0 | 111.9 | A272 F283 L286 F287 F325 K331 E332 H333 G334 V337 | A272-F329 HydrophobicContact CB-CB 4.06Å; A272-F329 HydrophobicContact CB-CD2 3.86Å; A272-F329 HydrophobicContact CB-CG 4.48Å; F283-F329 HydrophobicContact CB-CE2 4.2Å; F283-F329 HydrophobicContact CB-CZ 4.5Å; F283-F329 WeakPolarHBondContact O-CE2 3.25Å; L286-F329 HydrophobicContact CD2-CD2 4.48Å; L286-F329 HydrophobicContact CD2-CE2 4.49Å; F287-F329 HydrophobicContact CB-CD1 4.31Å; F287-F329 HydrophobicContact CB-CD2 4.39Å; F287-F329 HydrophobicContact CB-CE1 3.67Å; F287-F329 HydrophobicContact CB-CE2 3.76Å; F287-F329 HydrophobicContact CB-CZ 3.38Å; F287-F329 HydrophobicContact CD1-CE1 4.21Å; F287-F329 AromaticContact CD2-CD1 3.35Å; F287-F329 HydrophobicContact CD2-CD1 3.35Å; F287-F329 HydrophobicContact CD2-CD2 4.39Å; F287-F329 AromaticContact CD2-CE1 3.44Å; F287-F329 HydrophobicContact CD2-CE1 3.44Å; F287-F329 VanDerWaalsContact CD2-CE1 3.44Å; F287-F329 HydrophobicContact CD2-CE2 4.45Å; F287-F329 AromaticContact CD2-CG 3.9Å; F287-F329 HydrophobicContact CD2-CG 3.9Å; F287-F329 HydrophobicContact CD2-CZ 4.04Å; F287-F329 AromaticContact CE2-CD1 3.79Å; F287-F329 HydrophobicContact CE2-CD1 3.79Å; F287-F329 HydrophobicContact CE2-CE1 4.08Å; F287-F329 AromaticContact CG-CD1 3.95Å; F287-F329 HydrophobicContact CG-CD1 3.95Å; F287-F329 AromaticContact CG-CE1 3.51Å; F287-F329 HydrophobicContact CG-CE1 3.51Å; F287-F329 HydrophobicContact CG-CE2 4.43Å; F287-F329 AromaticContact CG-CZ 3.81Å; F287-F329 HydrophobicContact CG-CZ 3.81Å; F325-F329 VanDerWaalsContact O-CB 3.32Å; F325-F329 WeakPolarHBondContact O-CB 3.44Å; F325-F329 PolarHBondContact O-N 3.5Å; F329-K331 VanDerWaalsContact C-N 3.35Å; F329-K331 PolarHBondContact O-N 3.19Å; F329-E332 PolarHBondContact O-N 3.45Å; F329-H333 HydrophobicContact CD1-CB 4.36Å; F329-H333 HydrophobicContact CD2-CB 4.48Å; F329-H333 AromaticContact CD2-CD2 3.97Å; F329-H333 HydrophobicContact CE1-CB 3.93Å; F329-H333 HydrophobicContact CE2-CB 4.08Å; F329-H333 AromaticContact CE2-CD2 3.9Å; F329-H333 HydrophobicContact CZ-CB 3.75Å; F329-H333 WeakPolarHBondContact O-CA 3.4Å; F329-H333 WeakPolarHBondContact O-CB 3.5Å; F329-H333 PolarHBondContact O-N 3.26Å; F329-G334 PolarHBondContact O-N 3.12Å; F329-V337 HydrophobicContact CE1-CG2 3.73Å; F329-V337 HydrophobicContact CZ-CG2 4.3Å |
| 330 | L | 98.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.7 | -30.6 | -176.6 | -66.2 | 171.3 | 0 | 0 | 0 | 112.5 | F287 L326 T328 G334 L347 L351 M354 Y372 | F287-L330 HydrophobicContact CE2-CD2 4.44Å; F287-L330 HydrophobicContact CZ-CD2 4.41Å; L326-L330 WeakPolarHBondContact O-CB 3.47Å; L326-L330 WeakPolarHBondContact O-CD1 3.17Å; L326-L330 WeakPolarHBondContact O-CG 3.3Å; L326-L330 PolarHBondContact O-N 3.37Å; T328-L330 PolarHBondContact O-N 2.89Å; L330-G334 WeakPolarHBondContact O-CA 3.49Å; L330-G334 PolarHBondContact O-N 2.92Å; L330-G334 VanDerWaalsContact O-N 3.08Å; L330-L347 HydrophobicContact CD2-CD1 3.82Å; L330-L351 HydrophobicContact CD1-CD2 4.46Å; L330-M354 HydrophobicContact CD1-CG 4.29Å; L330-Y372 HydrophobicContact CB-CD2 3.87Å; L330-Y372 HydrophobicContact CB-CE2 3.28Å; L330-Y372 HydrophobicContact CD1-CE1 3.98Å; L330-Y372 HydrophobicContact CD1-CE2 4.03Å; L330-Y372 HydrophobicContact CG-CE2 4.27Å |
| 331 | K | 97.6 | Very high | 96.6 | Very high | 74 Ų | 74 | 34.6 Ų | 34.6 | 32% | 0.322 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -69 | -47.3 | 173.8 | -75.9 | 175 | 66.3 | -160.1 | 0 | 112.1 | C327 T328 F329 E371 Y372 H375 | C327-K331 WeakPolarHBondContact O-CB 3.42Å; C327-K331 VanDerWaalsContact O-CG 3.22Å; C327-K331 WeakPolarHBondContact O-CG 3.44Å; C327-K331 PolarHBondContact O-N 3.38Å; T328-K331 PolarHBondContact O-N 3.44Å; F329-K331 VanDerWaalsContact C-N 3.35Å; F329-K331 PolarHBondContact O-N 3.19Å; K331-E371 IonicContact NZ-OE1 2.7Å; K331-E371 PolarHBondContact NZ-OE1 3.19Å; K331-Y372 HydrophobicContact CG-CD2 4.12Å; K331-H375 HydrophobicContact CG-CB 4.36Å |
| 332 | E | 97.1 | Very high | 96.4 | Very high | 99 Ų | 99 | 40.3 Ų | 40.3 | 46% | 0.463 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -82 | -37.3 | -173.6 | -164.5 | 56.7 | -139.9 | 0 | 0 | 112.4 | S275 T328 F329 | S275-E332 WeakPolarHBondContact CB-OE1 3.32Å; T328-E332 PolarHBondContact O-N 2.92Å; T328-E332 VanDerWaalsContact O-N 3.09Å; F329-E332 PolarHBondContact O-N 3.45Å |
| 333 | H | 97.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 5% | 0.046 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -125.1 | 7 | -168.8 | -56.2 | -50 | 0 | 0 | 0 | 114.1 | A272 V274 F283 F329 Q335 L336 | A272-H333 PolarHBondContact O-CD2 2.87Å; A272-H333 PolarHBondContact O-NE2 3.49Å; V274-H333 PolarHBondContact O-CE1 2.84Å; V274-H333 PolarHBondContact O-NE2 3.47Å; F283-H333 AromaticContact CD1-CD2 3.82Å; F283-H333 AromaticContact CD1-NE2 3.45Å; F283-H333 WeakPolarHBondContact CD1-NE2 3.35Å; F283-H333 AromaticContact CD2-CE1 3.92Å; F283-H333 AromaticContact CE1-CE1 3.94Å; F283-H333 AromaticContact CE1-NE2 3.39Å; F283-H333 WeakPolarHBondContact CE1-NE2 3.35Å; F283-H333 AromaticContact CE2-CE1 3.82Å; F283-H333 AromaticContact CG-NE2 3.85Å; F283-H333 AromaticContact CZ-CE1 3.84Å; F283-H333 AromaticContact CZ-NE2 3.75Å; F329-H333 HydrophobicContact CD1-CB 4.36Å; F329-H333 HydrophobicContact CD2-CB 4.48Å; F329-H333 AromaticContact CD2-CD2 3.97Å; F329-H333 HydrophobicContact CE1-CB 3.93Å; F329-H333 HydrophobicContact CE2-CB 4.08Å; F329-H333 AromaticContact CE2-CD2 3.9Å; F329-H333 HydrophobicContact CZ-CB 3.75Å; F329-H333 WeakPolarHBondContact O-CA 3.4Å; F329-H333 WeakPolarHBondContact O-CB 3.5Å; F329-H333 PolarHBondContact O-N 3.26Å; H333-Q335 PolarHBondContact O-N 3.43Å; H333-Q335 VanDerWaalsContact O-N 3.16Å; H333-L336 HydrophobicContact CB-CD1 4.11Å; H333-L336 WeakPolarHBondContact O-CB 3.21Å; H333-L336 PolarHBondContact O-N 2.93Å |
| 334 | G | 94.9 | Very high | 96 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -51.9 | -41.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F329 L330 L336 V337 E338 | F329-G334 PolarHBondContact O-N 3.12Å; L330-G334 WeakPolarHBondContact O-CA 3.49Å; L330-G334 PolarHBondContact O-N 2.92Å; L330-G334 VanDerWaalsContact O-N 3.08Å; G334-L336 VanDerWaalsContact C-N 3.28Å; G334-L336 PolarHBondContact O-N 3.38Å; G334-V337 PolarHBondContact O-N 3.33Å; G334-V337 VanDerWaalsContact O-N 3.1Å; G334-E338 WeakPolarHBondContact O-CG 3.44Å; G334-E338 PolarHBondContact O-N 2.87Å |
| 335 | Q | 93.9 | Very high | 95.8 | Very high | 89 Ų | 89 | 50.4 Ų | 50.4 | 42% | 0.416 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.3 | -29.9 | 178.1 | -64.1 | -171.5 | 10.7 | 0 | 0 | 113.9 | H333 V337 K339 | H333-Q335 PolarHBondContact O-N 3.43Å; H333-Q335 VanDerWaalsContact O-N 3.16Å; Q335-V337 VanDerWaalsContact C-N 3.29Å; Q335-V337 PolarHBondContact O-N 3.25Å; Q335-K339 WeakPolarHBondContact O-CD 3.47Å; Q335-K339 VanDerWaalsContact O-CG 3.25Å; Q335-K339 WeakPolarHBondContact O-CG 3.46Å; Q335-K339 PolarHBondContact O-N 2.89Å |
| 336 | L | 94.9 | Very high | 95.7 | Very high | 22 Ų | 22 | 51.3 Ų | 51.3 | 12% | 0.115 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.6 | -37 | 176.8 | -64 | -179.5 | 0 | 0 | 0 | 110.9 | E280 F283 V284 H333 G334 R340 | E280-L336 HydrophobicContact CB-CD1 4.24Å; E280-L336 HydrophobicContact CB-CD2 4.31Å; E280-L336 HydrophobicContact CG-CD1 4.06Å; E280-L336 HydrophobicContact CG-CD2 3.76Å; F283-L336 HydrophobicContact CB-CD1 4.39Å; V284-L336 HydrophobicContact CG2-CB 4.39Å; H333-L336 HydrophobicContact CB-CD1 4.11Å; H333-L336 WeakPolarHBondContact O-CB 3.21Å; H333-L336 PolarHBondContact O-N 2.93Å; G334-L336 VanDerWaalsContact C-N 3.28Å; G334-L336 PolarHBondContact O-N 3.38Å; L336-R340 WeakPolarHBondContact O-CD 3.25Å; L336-R340 WeakPolarHBondContact O-CG 3.33Å |
| 337 | V | 95.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -78.2 | -40.8 | 177.9 | -171.8 | 0 | 0 | 0 | 0 | 111 | F287 F329 G334 Q335 K339 R340 L343 L347 | F287-V337 HydrophobicContact CD1-CG1 4.4Å; F287-V337 HydrophobicContact CD1-CG2 3.97Å; F287-V337 HydrophobicContact CE1-CG1 3.98Å; F287-V337 HydrophobicContact CE1-CG2 4.13Å; F329-V337 HydrophobicContact CE1-CG2 3.73Å; F329-V337 HydrophobicContact CZ-CG2 4.3Å; G334-V337 PolarHBondContact O-N 3.33Å; G334-V337 VanDerWaalsContact O-N 3.1Å; Q335-V337 VanDerWaalsContact C-N 3.29Å; Q335-V337 PolarHBondContact O-N 3.25Å; V337-K339 VanDerWaalsContact C-N 3.31Å; V337-K339 PolarHBondContact O-N 2.9Å; V337-R340 PolarHBondContact O-N 2.93Å; V337-L343 HydrophobicContact CG1-CB 3.73Å; V337-L343 HydrophobicContact CG1-CD1 4.3Å; V337-L347 HydrophobicContact CG1-CB 3.86Å; V337-L347 HydrophobicContact CG1-CD1 4.4Å |
| 338 | E | 94.4 | Very high | 95.5 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.9 | -43.2 | 177.6 | -72.8 | 172.6 | -156.5 | 0 | 0 | 112.7 | G334 R340 L347 R400 L403 Y404 | G334-E338 WeakPolarHBondContact O-CG 3.44Å; G334-E338 PolarHBondContact O-N 2.87Å; E338-R340 PolarHBondContact O-N 3.33Å; E338-L347 HydrophobicContact CG-CD2 4.3Å; E338-R400 IonicContact OE1-CZ 3.54Å; E338-R400 IonicContact OE1-NE 3.3Å; E338-R400 IonicContact OE1-NH2 2.78Å; E338-R400 PolarHBondContact OE1-NH2 2.69Å; E338-R400 IonicContact OE2-CZ 3.28Å; E338-R400 IonicContact OE2-NE 2.73Å; E338-R400 PolarHBondContact OE2-NE 3.42Å; E338-R400 IonicContact OE2-NH2 3.34Å; E338-R400 PolarHBondContact OE2-NH2 3.45Å; E338-L403 HydrophobicContact CB-CD1 4.18Å; E338-L403 HydrophobicContact CG-CD1 4.39Å; E338-Y404 HydrophobicContact CG-CE2 4.16Å; E338-Y404 WeakPolarHBondContact CG-OH 3.09Å; E338-Y404 PolarHBondContact OE1-OH 3.12Å |
| 339 | K | 92.7 | Very high | 95.4 | Very high | 152 Ų | 152 | 52.9 Ų | 52.9 | 66% | 0.661 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -13.9 | -176.5 | -70.6 | 170.1 | -172 | 170.8 | 0 | 113.6 | Q335 V337 P341 | Q335-K339 WeakPolarHBondContact O-CD 3.47Å; Q335-K339 VanDerWaalsContact O-CG 3.25Å; Q335-K339 WeakPolarHBondContact O-CG 3.46Å; Q335-K339 PolarHBondContact O-N 2.89Å; V337-K339 VanDerWaalsContact C-N 3.31Å; V337-K339 PolarHBondContact O-N 2.9Å; K339-P341 WeakPolarHBondContact O-CD 3.25Å |
| 340 | R | 94.6 | Very high | 95.4 | Very high | 47 Ų | 47 | 52.9 Ų | 52.9 | 18% | 0.177 | 25% | 0.252 | C | S | . | . | trans | -106.9 | 104.1 | -173.4 | -67.7 | 177.6 | -169.5 | -148.6 | -1.7 | 110.7 | E281 L336 V337 E338 N342 L343 | E281-R340 VanDerWaalsContact CD-NH1 3.34Å; E281-R340 IonicContact OE1-CZ 2.7Å; E281-R340 VanDerWaalsContact OE1-CZ 3.24Å; E281-R340 IonicContact OE1-NH1 2.87Å; E281-R340 PolarHBondContact OE1-NH1 2.73Å; E281-R340 IonicContact OE1-NH2 2.78Å; E281-R340 PolarHBondContact OE1-NH2 3.3Å; E281-R340 IonicContact OE2-CZ 3.41Å; E281-R340 IonicContact OE2-NH1 3.07Å; E281-R340 PolarHBondContact OE2-NH1 3.41Å; L336-R340 WeakPolarHBondContact O-CD 3.25Å; L336-R340 WeakPolarHBondContact O-CG 3.33Å; V337-R340 PolarHBondContact O-N 2.93Å; E338-R340 PolarHBondContact O-N 3.33Å; R340-N342 PolarHBondContact O-N 3.35Å; R340-N342 VanDerWaalsContact O-N 3.14Å; R340-L343 HydrophobicContact CB-CB 4.38Å; R340-L343 HydrophobicContact CB-CD1 3.9Å; R340-L343 HydrophobicContact CB-CG 4.1Å; R340-L343 HydrophobicContact CG-CD1 4.45Å; R340-L343 PolarHBondContact O-N 2.85Å | ||
| 341 | P | 91.6 | Very high | 95.4 | Very high | 91 Ų | 91 | 52.6 Ų | 52.6 | 59% | 0.591 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -58.5 | -32.4 | -174.2 | -26.3 | 35.4 | 0 | 0 | 0 | 114.5 | K339 L343 R344 | K339-P341 WeakPolarHBondContact O-CD 3.25Å; P341-L343 PolarHBondContact O-N 3.4Å; P341-R344 WeakPolarHBondContact O-CG 3.27Å; P341-R344 PolarHBondContact O-N 3.32Å |
| 342 | N | 93.6 | Very high | 95.4 | Very high | 129 Ų | 129 | 52.3 Ų | 52.3 | 69% | 0.69 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -69 | -14.3 | 178.5 | 60.8 | -60.7 | 0 | 0 | 0 | 114 | R340 | R340-N342 PolarHBondContact O-N 3.35Å; R340-N342 VanDerWaalsContact O-N 3.14Å |
| 343 | L | 95.3 | Very high | 95.5 | Very high | 9 Ų | 9 | 47.6 Ų | 47.6 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -103.8 | 2.4 | 179.4 | -58.6 | 178.1 | 0 | 0 | 0 | 113.4 | V284 V337 R340 P341 E345 T346 L347 | V284-L343 HydrophobicContact CB-CD1 4.49Å; V284-L343 HydrophobicContact CG1-CD1 3.49Å; V284-L343 VanDerWaalsContact CG1-CD1 3.49Å; V284-L343 HydrophobicContact CG2-CD1 4.27Å; V337-L343 HydrophobicContact CG1-CB 3.73Å; V337-L343 HydrophobicContact CG1-CD1 4.3Å; R340-L343 HydrophobicContact CB-CB 4.38Å; R340-L343 HydrophobicContact CB-CD1 3.9Å; R340-L343 HydrophobicContact CB-CG 4.1Å; R340-L343 HydrophobicContact CG-CD1 4.45Å; R340-L343 PolarHBondContact O-N 2.85Å; P341-L343 PolarHBondContact O-N 3.4Å; L343-E345 VanDerWaalsContact C-N 3.29Å; L343-E345 PolarHBondContact O-N 3.02Å; L343-T346 PolarHBondContact O-N 3.47Å; L343-L347 PolarHBondContact O-N 2.98Å |
| 344 | R | 92.8 | Very high | 95.5 | Very high | 122 Ų | 122 | 47.1 Ų | 47.1 | 46% | 0.46 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.3 | -39.3 | -178.5 | -73.1 | -179.2 | 178.7 | -172.3 | 1.2 | 112.8 | P341 L347 M348 | P341-R344 WeakPolarHBondContact O-CG 3.27Å; P341-R344 PolarHBondContact O-N 3.32Å; R344-L347 PolarHBondContact O-N 2.99Å; R344-M348 WeakPolarHBondContact O-CG 3.42Å; R344-M348 PolarHBondContact O-N 2.88Å |
| 345 | E | 95 | Very high | 95.7 | Very high | 141 Ų | 141 | 47.8 Ų | 47.8 | 66% | 0.659 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62.4 | -48.8 | 176.7 | -173.5 | 176.8 | -179 | 0 | 0 | 110.7 | L343 L347 M348 E349 | L343-E345 VanDerWaalsContact C-N 3.29Å; L343-E345 PolarHBondContact O-N 3.02Å; E345-L347 VanDerWaalsContact C-N 3.31Å; E345-L347 PolarHBondContact O-N 3.39Å; E345-M348 PolarHBondContact O-N 3.43Å; E345-M348 VanDerWaalsContact O-N 3.08Å; E345-E349 WeakPolarHBondContact O-CG 3.32Å; E345-E349 PolarHBondContact O-N 2.85Å |
| 346 | T | 96.4 | Very high | 95.9 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.5 | -36.8 | 178.1 | -47.7 | 0 | 0 | 0 | 0 | 112.7 | F287 M291 L343 E349 A350 | F287-T346 HydrophobicContact CD1-CG2 4.15Å; F287-T346 HydrophobicContact CE1-CG2 3.7Å; F287-T346 HydrophobicContact CZ-CG2 4.4Å; M291-T346 HydrophobicContact CB-CG2 3.56Å; M291-T346 HydrophobicContact CG-CG2 3.7Å; L343-T346 PolarHBondContact O-N 3.47Å; T346-E349 PolarHBondContact O-N 3.43Å; T346-A350 PolarHBondContact O-N 2.95Å |
| 347 | L | 96.5 | Very high | 96 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.6 | -46.9 | 171.6 | 177.6 | 60.9 | 0 | 0 | 0 | 111.3 | L330 V337 E338 L343 R344 E345 E349 A350 L351 Y404 | L330-L347 HydrophobicContact CD2-CD1 3.82Å; V337-L347 HydrophobicContact CG1-CB 3.86Å; V337-L347 HydrophobicContact CG1-CD1 4.4Å; E338-L347 HydrophobicContact CG-CD2 4.3Å; L343-L347 PolarHBondContact O-N 2.98Å; R344-L347 PolarHBondContact O-N 2.99Å; E345-L347 VanDerWaalsContact C-N 3.31Å; E345-L347 PolarHBondContact O-N 3.39Å; L347-E349 VanDerWaalsContact C-N 3.32Å; L347-E349 PolarHBondContact O-N 3.48Å; L347-A350 PolarHBondContact O-N 3.15Å; L347-L351 HydrophobicContact CD1-CD1 4.39Å; L347-L351 HydrophobicContact CD1-CG 4.4Å; L347-L351 HydrophobicContact CG-CD1 4.18Å; L347-L351 VanDerWaalsContact O-CG 3.31Å; L347-L351 WeakPolarHBondContact O-CG 3.16Å; L347-L351 PolarHBondContact O-N 3.26Å; L347-Y404 HydrophobicContact CD2-CE1 4.49Å |
| 348 | M | 96.5 | Very high | 96.2 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 28% | 0.276 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.8 | -37.6 | 178.3 | -67.7 | -60.3 | 149.8 | 0 | 0 | 112.2 | R344 E345 L351 H352 L403 V407 | R344-M348 WeakPolarHBondContact O-CG 3.42Å; R344-M348 PolarHBondContact O-N 2.88Å; E345-M348 PolarHBondContact O-N 3.43Å; E345-M348 VanDerWaalsContact O-N 3.08Å; M348-L351 HydrophobicContact CE-CD1 4.37Å; M348-L351 PolarHBondContact O-N 2.9Å; M348-L351 HydrophobicContact SD-CD1 4.06Å; M348-H352 WeakPolarHBondContact O-CB 3.46Å; M348-H352 PolarHBondContact O-N 3.28Å; M348-L403 WeakPolarHBondContact CE-O 3.31Å; M348-V407 HydrophobicContact SD-CG2 4.08Å |
| 349 | E | 97.2 | Very high | 96.3 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 173.8 | -66.2 | 173.3 | 145.8 | 0 | 0 | 111.7 | M291 K295 L300 E345 T346 L347 H352 Y353 | M291-E349 HydrophobicContact CE-CB 3.8Å; K295-E349 VanDerWaalsContact CD-CD 3.49Å; K295-E349 VanDerWaalsContact CD-OE1 3.23Å; K295-E349 WeakPolarHBondContact CD-OE1 3.29Å; K295-E349 WeakPolarHBondContact CD-OE2 3.45Å; K295-E349 WeakPolarHBondContact CE-OE2 3.47Å; K295-E349 IonicContact NZ-OE1 3.56Å; K295-E349 PolarHBondContact NZ-OE1 2.92Å; K295-E349 IonicContact NZ-OE2 2.83Å; K295-E349 PolarHBondContact NZ-OE2 2.83Å; L300-E349 HydrophobicContact CD1-CB 4.13Å; L300-E349 HydrophobicContact CD1-CG 3.83Å; E345-E349 WeakPolarHBondContact O-CG 3.32Å; E345-E349 PolarHBondContact O-N 2.85Å; T346-E349 PolarHBondContact O-N 3.43Å; L347-E349 VanDerWaalsContact C-N 3.32Å; L347-E349 PolarHBondContact O-N 3.48Å; E349-H352 WeakPolarHBondContact O-CB 3.43Å; E349-H352 PolarHBondContact O-N 3.44Å; E349-Y353 WeakPolarHBondContact O-CD2 3.3Å; E349-Y353 PolarHBondContact O-N 2.92Å |
| 350 | A | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -43.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F287 M291 L326 T346 L347 H352 Y353 M354 | F287-A350 HydrophobicContact CE2-CB 4.08Å; F287-A350 HydrophobicContact CZ-CB 3.64Å; M291-A350 HydrophobicContact CE-CB 3.88Å; M291-A350 HydrophobicContact SD-CB 4.01Å; L326-A350 HydrophobicContact CD2-CB 4.05Å; T346-A350 PolarHBondContact O-N 2.95Å; L347-A350 PolarHBondContact O-N 3.15Å; A350-H352 VanDerWaalsContact C-N 3.27Å; A350-H352 PolarHBondContact O-N 3.47Å; A350-Y353 WeakPolarHBondContact O-CB 3.42Å; A350-Y353 PolarHBondContact O-N 3.33Å; A350-M354 WeakPolarHBondContact O-CG 3.47Å; A350-M354 PolarHBondContact O-N 2.61Å |
| 351 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.1 | -35.1 | 174 | -65.7 | 170.8 | 0 | 0 | 0 | 111.8 | L330 L347 M348 M354 L355 Y372 W373 Y404 V407 | L330-L351 HydrophobicContact CD1-CD2 4.46Å; L347-L351 HydrophobicContact CD1-CD1 4.39Å; L347-L351 HydrophobicContact CD1-CG 4.4Å; L347-L351 HydrophobicContact CG-CD1 4.18Å; L347-L351 VanDerWaalsContact O-CG 3.31Å; L347-L351 WeakPolarHBondContact O-CG 3.16Å; L347-L351 PolarHBondContact O-N 3.26Å; M348-L351 HydrophobicContact CE-CD1 4.37Å; M348-L351 PolarHBondContact O-N 2.9Å; M348-L351 HydrophobicContact SD-CD1 4.06Å; L351-M354 WeakPolarHBondContact O-CB 3.16Å; L351-M354 PolarHBondContact O-N 2.95Å; L351-L355 WeakPolarHBondContact O-CG 3.48Å; L351-L355 PolarHBondContact O-N 3.1Å; L351-Y372 HydrophobicContact CD2-CE1 3.68Å; L351-Y372 VanDerWaalsContact CD2-OH 3.31Å; L351-Y372 WeakPolarHBondContact CD2-OH 3.35Å; L351-W373 HydrophobicContact CD2-CH2 4.2Å; L351-W373 HydrophobicContact CD2-CZ3 4.1Å; L351-Y404 HydrophobicContact CD1-CD1 3.64Å; L351-Y404 HydrophobicContact CD1-CE1 3.59Å; L351-Y404 HydrophobicContact CD2-CE1 4.16Å; L351-Y404 HydrophobicContact CG-CE1 4.46Å; L351-V407 HydrophobicContact CB-CG1 4.34Å; L351-V407 HydrophobicContact CB-CG2 4.14Å; L351-V407 HydrophobicContact CD1-CG2 4Å |
| 352 | H | 97.7 | Very high | 96.9 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 31% | 0.31 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.9 | -42.7 | 174.9 | -166.9 | 62.9 | 0 | 0 | 0 | 111.8 | L300 M348 E349 A350 M354 L355 L356 | L300-H352 HydrophobicContact CD2-CB 4.46Å; M348-H352 WeakPolarHBondContact O-CB 3.46Å; M348-H352 PolarHBondContact O-N 3.28Å; E349-H352 WeakPolarHBondContact O-CB 3.43Å; E349-H352 PolarHBondContact O-N 3.44Å; A350-H352 VanDerWaalsContact C-N 3.27Å; A350-H352 PolarHBondContact O-N 3.47Å; H352-M354 VanDerWaalsContact C-N 3.32Å; H352-M354 PolarHBondContact O-N 3.12Å; H352-L355 WeakPolarHBondContact O-CB 3.38Å; H352-L355 PolarHBondContact O-N 3.34Å; H352-L356 WeakPolarHBondContact O-CG 3.46Å; H352-L356 PolarHBondContact O-N 2.62Å |
| 353 | Y | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.2 | -46.1 | 169.8 | -81.2 | -60.9 | 0 | 0 | 0 | 111.7 | M291 L294 K295 L298 L300 I304 L322 L326 E349 A350 L355 L356 V357 | M291-Y353 HydrophobicContact CE-CD2 3.84Å; M291-Y353 HydrophobicContact CE-CE2 3.85Å; L294-Y353 HydrophobicContact CB-CE2 4.34Å; L294-Y353 PolarHBondContact O-OH 3.34Å; K295-Y353 VanDerWaalsContact CA-OH 3.3Å; K295-Y353 WeakPolarHBondContact CA-OH 3.4Å; K295-Y353 HydrophobicContact CG-CE2 4.46Å; K295-Y353 PolarHBondContact N-OH 3.05Å; L298-Y353 HydrophobicContact CB-CE1 4.34Å; L298-Y353 HydrophobicContact CD2-CD1 4.43Å; L298-Y353 HydrophobicContact CD2-CE1 4.08Å; L298-Y353 HydrophobicContact CG-CE1 4.14Å; L298-Y353 VanDerWaalsContact O-CE1 3.28Å; L298-Y353 WeakPolarHBondContact O-CE1 3.44Å; L298-Y353 PolarHBondContact O-OH 3.42Å; L300-Y353 HydrophobicContact CD2-CD1 3.99Å; L300-Y353 HydrophobicContact CD2-CD2 3.74Å; L300-Y353 HydrophobicContact CD2-CE1 3.74Å; L300-Y353 HydrophobicContact CD2-CE2 3.49Å; L300-Y353 VanDerWaalsContact CD2-CE2 3.49Å; L300-Y353 HydrophobicContact CD2-CG 3.98Å; L300-Y353 VanDerWaalsContact CD2-CZ 3.47Å; L300-Y353 HydrophobicContact CG-CE2 4.38Å; I304-Y353 HydrophobicContact CD1-CD1 4.12Å; L322-Y353 HydrophobicContact CD2-CD1 4.33Å; L326-Y353 HydrophobicContact CD1-CG 4.42Å; E349-Y353 WeakPolarHBondContact O-CD2 3.3Å; E349-Y353 PolarHBondContact O-N 2.92Å; A350-Y353 WeakPolarHBondContact O-CB 3.42Å; A350-Y353 PolarHBondContact O-N 3.33Å; Y353-L355 VanDerWaalsContact C-N 3.26Å; Y353-L355 PolarHBondContact O-N 3.41Å; Y353-L356 PolarHBondContact O-N 3.47Å; Y353-L356 VanDerWaalsContact O-N 3.16Å; Y353-V357 WeakPolarHBondContact O-CB 3.36Å; Y353-V357 VanDerWaalsContact O-CG2 3.22Å; Y353-V357 WeakPolarHBondContact O-CG2 3.49Å; Y353-V357 PolarHBondContact O-N 2.92Å |
| 354 | M | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.9 | -40.9 | 177.6 | -72.1 | -61.6 | -71.4 | 0 | 0 | 111.7 | L326 C327 L330 A350 L351 H352 S358 C369 Y372 W373 | L326-M354 HydrophobicContact CB-CG 4.16Å; L326-M354 HydrophobicContact CB-SD 3.54Å; L326-M354 VanDerWaalsContact CB-SD 3.54Å; L326-M354 HydrophobicContact CD1-CG 4.19Å; L326-M354 HydrophobicContact CD1-SD 4.07Å; L326-M354 HydrophobicContact CG-SD 4.47Å; C327-M354 HydrophobicContact CB-CE 4.4Å; L330-M354 HydrophobicContact CD1-CG 4.29Å; A350-M354 WeakPolarHBondContact O-CG 3.47Å; A350-M354 PolarHBondContact O-N 2.61Å; L351-M354 WeakPolarHBondContact O-CB 3.16Å; L351-M354 PolarHBondContact O-N 2.95Å; H352-M354 VanDerWaalsContact C-N 3.32Å; H352-M354 PolarHBondContact O-N 3.12Å; M354-S358 VanDerWaalsContact O-CB 3.27Å; M354-S358 WeakPolarHBondContact O-CB 3.07Å; M354-S358 PolarHBondContact O-N 3.03Å; M354-S358 PolarHBondContact O-OG 2.92Å; M354-C369 HydrophobicContact CE-CB 4.1Å; M354-Y372 HydrophobicContact CE-CD1 3.8Å; M354-Y372 HydrophobicContact CE-CG 4Å; M354-Y372 HydrophobicContact CG-CD1 4.41Å; M354-W373 HydrophobicContact CB-CH2 3.94Å; M354-W373 HydrophobicContact CB-CZ2 3.51Å |
| 355 | L | 98.1 | Very high | 97.2 | Very high | 17 Ų | 17 | 37.1 Ų | 37.1 | 9% | 0.089 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -48.5 | 175 | -72.9 | 167 | 0 | 0 | 0 | 112.1 | L351 H352 Y353 V357 S358 E359 W373 V407 Q410 V411 | L351-L355 WeakPolarHBondContact O-CG 3.48Å; L351-L355 PolarHBondContact O-N 3.1Å; H352-L355 WeakPolarHBondContact O-CB 3.38Å; H352-L355 PolarHBondContact O-N 3.34Å; Y353-L355 VanDerWaalsContact C-N 3.26Å; Y353-L355 PolarHBondContact O-N 3.41Å; L355-V357 VanDerWaalsContact C-N 3.33Å; L355-V357 PolarHBondContact O-N 3.4Å; L355-S358 WeakPolarHBondContact O-CB 2.99Å; L355-S358 PolarHBondContact O-N 3.4Å; L355-S358 VanDerWaalsContact O-N 3.12Å; L355-E359 PolarHBondContact O-N 3.07Å; L355-W373 HydrophobicContact CD2-CH2 4.2Å; L355-W373 HydrophobicContact CD2-CZ2 3.8Å; L355-W373 HydrophobicContact CG-CH2 4.06Å; L355-W373 HydrophobicContact CG-CZ2 3.83Å; L355-V407 HydrophobicContact CD1-CG1 4.11Å; L355-Q410 HydrophobicContact CD1-CB 4.01Å; L355-Q410 VanDerWaalsContact CD1-OE1 3.28Å; L355-Q410 HydrophobicContact CD2-CB 4.01Å; L355-V411 HydrophobicContact CD2-CG2 4.03Å |
| 356 | L | 98 | Very high | 97.4 | Very high | 36 Ų | 36 | 30.7 Ų | 30.7 | 19% | 0.188 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 179.4 | -66.9 | 173.1 | 0 | 0 | 0 | 112.2 | L300 I304 H352 Y353 S358 E359 | L300-L356 WeakPolarHBondContact O-CD1 3.48Å; I304-L356 HydrophobicContact CB-CB 4.3Å; I304-L356 HydrophobicContact CD1-CB 3.54Å; I304-L356 HydrophobicContact CD1-CD1 4.16Å; I304-L356 HydrophobicContact CG1-CB 3.93Å; I304-L356 HydrophobicContact CG1-CD1 4.47Å; H352-L356 WeakPolarHBondContact O-CG 3.46Å; H352-L356 PolarHBondContact O-N 2.62Å; Y353-L356 PolarHBondContact O-N 3.47Å; Y353-L356 VanDerWaalsContact O-N 3.16Å; L356-S358 VanDerWaalsContact C-N 3.33Å; L356-E359 PolarHBondContact O-N 3.39Å |
| 357 | V | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.2 | -32.5 | 176.2 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | I304 I319 L322 Y353 L355 E359 V360 I365 | I304-V357 HydrophobicContact CD1-CG2 3.78Å; I304-V357 HydrophobicContact CG2-CG2 4.2Å; I319-V357 HydrophobicContact CG2-CG1 4.07Å; I319-V357 HydrophobicContact CG2-CG2 4.4Å; L322-V357 HydrophobicContact CD2-CG2 4.27Å; Y353-V357 WeakPolarHBondContact O-CB 3.36Å; Y353-V357 VanDerWaalsContact O-CG2 3.22Å; Y353-V357 WeakPolarHBondContact O-CG2 3.49Å; Y353-V357 PolarHBondContact O-N 2.92Å; L355-V357 VanDerWaalsContact C-N 3.33Å; L355-V357 PolarHBondContact O-N 3.4Å; V357-E359 PolarHBondContact O-N 3.36Å; V357-V360 VanDerWaalsContact O-CB 3.26Å; V357-V360 WeakPolarHBondContact O-CB 3.42Å; V357-V360 VanDerWaalsContact O-CG2 3.25Å; V357-V360 WeakPolarHBondContact O-CG2 3.38Å; V357-V360 PolarHBondContact O-N 2.97Å; V357-I365 HydrophobicContact CG1-CG2 3.41Å; V357-I365 VanDerWaalsContact CG1-CG2 3.41Å |
| 358 | S | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.8 | -14.1 | 175 | -60.2 | 0 | 0 | 0 | 0 | 114 | M354 L355 L356 F366 C369 W373 L414 R418 | M354-S358 VanDerWaalsContact O-CB 3.27Å; M354-S358 WeakPolarHBondContact O-CB 3.07Å; M354-S358 PolarHBondContact O-N 3.03Å; M354-S358 PolarHBondContact O-OG 2.92Å; L355-S358 WeakPolarHBondContact O-CB 2.99Å; L355-S358 PolarHBondContact O-N 3.4Å; L355-S358 VanDerWaalsContact O-N 3.12Å; L356-S358 VanDerWaalsContact C-N 3.33Å; S358-F366 WeakPolarHBondContact O-CD2 3.45Å; S358-C369 VanDerWaalsContact OG-CB 3.28Å; S358-C369 WeakPolarHBondContact OG-CB 3.27Å; S358-W373 PolarHBondContact OG-NE1 3.41Å; S358-L414 VanDerWaalsContact CB-CD2 3.44Å; S358-R418 PolarHBondContact O-NH1 2.89Å |
| 359 | E | 96.9 | Very high | 97.6 | Very high | 77 Ų | 77 | 29.9 Ų | 29.9 | 36% | 0.36 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -9.8 | 173.8 | -68 | -62 | 152.9 | 0 | 0 | 113.1 | K305 L355 L356 V357 E361 L414 | K305-E359 HydrophobicContact CB-CB 4.26Å; K305-E359 WeakPolarHBondContact CD-O 2.98Å; K305-E359 WeakPolarHBondContact CG-O 3.32Å; L355-E359 PolarHBondContact O-N 3.07Å; L356-E359 PolarHBondContact O-N 3.39Å; V357-E359 PolarHBondContact O-N 3.36Å; E359-E361 PolarHBondContact O-N 3.29Å; E359-L414 WeakPolarHBondContact OE1-CD1 3.32Å |
| 360 | V | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -63.7 | 129.7 | 178.5 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | I304 Y308 I319 V357 E362 I365 R418 | I304-V360 HydrophobicContact CG2-CG2 3.79Å; Y308-V360 HydrophobicContact CD1-CG1 3.43Å; Y308-V360 VanDerWaalsContact CD1-CG1 3.43Å; Y308-V360 HydrophobicContact CD2-CG1 3.92Å; Y308-V360 HydrophobicContact CE1-CG1 3.9Å; Y308-V360 HydrophobicContact CE2-CG1 4.34Å; Y308-V360 HydrophobicContact CG-CG1 3.45Å; Y308-V360 VanDerWaalsContact CG-CG1 3.45Å; Y308-V360 HydrophobicContact CG-CG2 4.47Å; I319-V360 HydrophobicContact CG2-CG2 4.33Å; V357-V360 VanDerWaalsContact O-CB 3.26Å; V357-V360 WeakPolarHBondContact O-CB 3.42Å; V357-V360 VanDerWaalsContact O-CG2 3.25Å; V357-V360 WeakPolarHBondContact O-CG2 3.38Å; V357-V360 PolarHBondContact O-N 2.97Å; V360-E362 HydrophobicContact CG1-CB 3.97Å; V360-E362 PolarHBondContact O-N 3.05Å; V360-I365 HydrophobicContact CB-CG2 4.41Å; V360-I365 HydrophobicContact CG1-CD1 4.19Å; V360-R418 PolarHBondContact O-NH1 3.24Å; V360-R418 PolarHBondContact O-NH2 3.01Å |
| 361 | E | 95.9 | Very high | 97.6 | Very high | 111 Ų | 111 | 33.5 Ų | 33.5 | 52% | 0.519 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -82 | 50.8 | 179.6 | -66.3 | -173.4 | -172.3 | 0 | 0 | 112.2 | K305 E359 | K305-E361 WeakPolarHBondContact CE-OE1 3.31Å; K305-E361 IonicContact NZ-OE1 3Å; K305-E361 PolarHBondContact NZ-OE1 3.3Å; E359-E361 PolarHBondContact O-N 3.29Å |
| 362 | E | 97.1 | Very high | 97.7 | Very high | 68 Ų | 68 | 33.7 Ų | 33.7 | 32% | 0.318 | 16% | 0.163 | S | C | . | . | trans | -127.2 | 130 | 172.2 | 177.2 | 48.4 | -114.6 | 0 | 0 | 109.2 | Y308 V360 E364 I365 F366 | Y308-E362 HydrophobicContact CE1-CB 3.85Å; Y308-E362 HydrophobicContact CE1-CG 4.44Å; V360-E362 HydrophobicContact CG1-CB 3.97Å; V360-E362 PolarHBondContact O-N 3.05Å; E362-E364 PolarHBondContact OE1-N 2.72Å; E362-I365 HydrophobicContact CB-CB 4.35Å; E362-I365 HydrophobicContact CB-CD1 4.17Å; E362-I365 HydrophobicContact CB-CG1 4.35Å; E362-I365 HydrophobicContact CG-CB 4.44Å; E362-I365 HydrophobicContact CG-CD1 4.17Å; E362-I365 HydrophobicContact CG-CG1 4.09Å; E362-F366 WeakPolarHBondContact O-CB 3.44Å; E362-F366 PolarHBondContact O-N 2.98Å; E362-F366 VanDerWaalsContact O-N 3.09Å | ||
| 363 | T | 94.6 | Very high | 97.7 | Very high | 67 Ų | 67 | 30.6 Ų | 30.6 | 41% | 0.411 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -69.8 | -41.6 | -169.1 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | F366 K367 L448 | T363-F366 PolarHBondContact O-N 3.08Å; T363-K367 HydrophobicContact CG2-CD 4.5Å; T363-K367 WeakPolarHBondContact O-CG 3.41Å; T363-K367 PolarHBondContact O-N 2.93Å; T363-L448 HydrophobicContact CG2-CD2 4.31Å |
| 364 | E | 96.5 | Very high | 97.6 | Very high | 93 Ų | 93 | 32.1 Ų | 32.1 | 44% | 0.435 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -67.5 | -41.5 | -178.7 | -64.1 | -51.2 | 120 | 0 | 0 | 112.2 | E362 F366 K367 I368 | E362-E364 PolarHBondContact OE1-N 2.72Å; E364-F366 VanDerWaalsContact C-N 3.33Å; E364-F366 PolarHBondContact O-N 3.42Å; E364-K367 PolarHBondContact O-N 3.07Å; E364-K367 IonicContact OE1-NZ 3.88Å; E364-K367 PolarHBondContact OE1-NZ 3.27Å; E364-K367 IonicContact OE2-NZ 2.59Å; E364-I368 WeakPolarHBondContact O-CG1 3.47Å; E364-I368 PolarHBondContact O-N 3.39Å; E364-I368 VanDerWaalsContact O-N 3.1Å |
| 365 | I | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 175.1 | -65.2 | 177.9 | 0 | 0 | 0 | 110.3 | Y308 I319 Q320 V357 V360 E362 K367 I368 C369 | Y308-I365 HydrophobicContact CD2-CD1 3.93Å; Y308-I365 HydrophobicContact CE2-CD1 3.25Å; I319-I365 HydrophobicContact CG2-CD1 4.35Å; Q320-I365 HydrophobicContact CB-CD1 4.11Å; Q320-I365 HydrophobicContact CB-CG1 4.09Å; Q320-I365 HydrophobicContact CG-CG1 4.14Å; V357-I365 HydrophobicContact CG1-CG2 3.41Å; V357-I365 VanDerWaalsContact CG1-CG2 3.41Å; V360-I365 HydrophobicContact CB-CG2 4.41Å; V360-I365 HydrophobicContact CG1-CD1 4.19Å; E362-I365 HydrophobicContact CB-CB 4.35Å; E362-I365 HydrophobicContact CB-CD1 4.17Å; E362-I365 HydrophobicContact CB-CG1 4.35Å; E362-I365 HydrophobicContact CG-CB 4.44Å; E362-I365 HydrophobicContact CG-CD1 4.17Å; E362-I365 HydrophobicContact CG-CG1 4.09Å; I365-K367 VanDerWaalsContact C-N 3.33Å; I365-K367 PolarHBondContact O-N 3.34Å; I365-I368 PolarHBondContact O-N 3.39Å; I365-C369 PolarHBondContact O-N 2.85Å; I365-C369 VanDerWaalsContact O-N 3.08Å; I365-C369 PolarHBondContact O-SG 2.92Å |
| 366 | F | 98.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.4 | -37.2 | 178.4 | -174.7 | -105.4 | 0 | 0 | 0 | 112.3 | S358 E362 T363 E364 C369 L370 L414 M415 R418 L448 M452 | S358-F366 WeakPolarHBondContact O-CD2 3.45Å; E362-F366 WeakPolarHBondContact O-CB 3.44Å; E362-F366 PolarHBondContact O-N 2.98Å; E362-F366 VanDerWaalsContact O-N 3.09Å; T363-F366 PolarHBondContact O-N 3.08Å; E364-F366 VanDerWaalsContact C-N 3.33Å; E364-F366 PolarHBondContact O-N 3.42Å; F366-C369 PolarHBondContact O-N 2.94Å; F366-L370 HydrophobicContact CE1-CB 4.5Å; F366-L370 HydrophobicContact CE1-CD2 4.33Å; F366-L370 WeakPolarHBondContact O-CB 3.32Å; F366-L370 PolarHBondContact O-N 3.35Å; F366-L414 HydrophobicContact CE2-CD1 4.21Å; F366-L414 HydrophobicContact CE2-CD2 4.41Å; F366-L414 HydrophobicContact CE2-CG 4.37Å; F366-M415 HydrophobicContact CZ-CE 4.4Å; F366-R418 HydrophobicContact CZ-CB 4.3Å; F366-L448 HydrophobicContact CD1-CD1 3.91Å; F366-L448 HydrophobicContact CE1-CD1 4.05Å; F366-M452 HydrophobicContact CE1-CE 3.9Å; F366-M452 HydrophobicContact CE1-CG 4.12Å; F366-M452 HydrophobicContact CE1-SD 3.67Å; F366-M452 HydrophobicContact CZ-CE 3.68Å; F366-M452 HydrophobicContact CZ-SD 4.11Å |
| 367 | K | 97.5 | Very high | 97.4 | Very high | 41 Ų | 41 | 32.5 Ų | 32.5 | 18% | 0.178 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 173.6 | -74.6 | 173.9 | -170.9 | 162.5 | 0 | 112.4 | T363 E364 I365 C369 L370 E371 D444 L448 | T363-K367 HydrophobicContact CG2-CD 4.5Å; T363-K367 WeakPolarHBondContact O-CG 3.41Å; T363-K367 PolarHBondContact O-N 2.93Å; E364-K367 PolarHBondContact O-N 3.07Å; E364-K367 IonicContact OE1-NZ 3.88Å; E364-K367 PolarHBondContact OE1-NZ 3.27Å; E364-K367 IonicContact OE2-NZ 2.59Å; I365-K367 VanDerWaalsContact C-N 3.33Å; I365-K367 PolarHBondContact O-N 3.34Å; K367-C369 VanDerWaalsContact C-N 3.3Å; K367-C369 PolarHBondContact O-N 3.11Å; K367-L370 PolarHBondContact O-N 3.21Å; K367-E371 WeakPolarHBondContact O-CB 3.3Å; K367-E371 PolarHBondContact O-N 3.25Å; K367-D444 WeakPolarHBondContact CE-OD1 3.31Å; K367-D444 VanDerWaalsContact CE-OD2 3.23Å; K367-D444 WeakPolarHBondContact CE-OD2 3.42Å; K367-D444 IonicContact NZ-OD1 3.64Å; K367-D444 PolarHBondContact NZ-OD1 3.45Å; K367-D444 IonicContact NZ-OD2 2.87Å; K367-D444 PolarHBondContact NZ-OD2 3.39Å; K367-L448 HydrophobicContact CG-CD1 4.04Å |
| 368 | I | 98.3 | Very high | 97.1 | Very high | 20 Ų | 20 | 32.8 Ų | 32.8 | 10% | 0.103 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.1 | -45.6 | 176.4 | -65.1 | 160 | 0 | 0 | 0 | 110.2 | Q320 L324 C327 E364 I365 | Q320-I368 HydrophobicContact CG-CD1 4.18Å; L324-I368 HydrophobicContact CD2-CD1 3.63Å; L324-I368 HydrophobicContact CD2-CG1 3.95Å; L324-I368 HydrophobicContact CD2-CG2 4.04Å; L324-I368 HydrophobicContact CG-CD1 3.95Å; C327-I368 HydrophobicContact CB-CG2 3.89Å; C327-I368 PolarHBondContact SG-O 2.9Å; C327-I368 VanDerWaalsContact SG-O 3.36Å; E364-I368 WeakPolarHBondContact O-CG1 3.47Å; E364-I368 PolarHBondContact O-N 3.39Å; E364-I368 VanDerWaalsContact O-N 3.1Å; I365-I368 PolarHBondContact O-N 3.39Å |
| 369 | C | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | 176.4 | -67.5 | 0 | 0 | 0 | 0 | 112.9 | M354 S358 I365 F366 K367 E371 Y372 W373 | M354-C369 HydrophobicContact CE-CB 4.1Å; S358-C369 VanDerWaalsContact OG-CB 3.28Å; S358-C369 WeakPolarHBondContact OG-CB 3.27Å; I365-C369 PolarHBondContact O-N 2.85Å; I365-C369 VanDerWaalsContact O-N 3.08Å; I365-C369 PolarHBondContact O-SG 2.92Å; F366-C369 PolarHBondContact O-N 2.94Å; K367-C369 VanDerWaalsContact C-N 3.3Å; K367-C369 PolarHBondContact O-N 3.11Å; C369-E371 VanDerWaalsContact C-N 3.29Å; C369-E371 PolarHBondContact O-N 3.44Å; C369-Y372 WeakPolarHBondContact O-CB 3.46Å; C369-Y372 PolarHBondContact O-N 2.91Å; C369-W373 PolarHBondContact O-N 3.28Å |
| 370 | L | 98.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.4 | -35.6 | 179.6 | 177.3 | 62.9 | 0 | 0 | 0 | 111.8 | F366 K367 Y372 W373 N374 M415 L448 N451 M452 | F366-L370 HydrophobicContact CE1-CB 4.5Å; F366-L370 HydrophobicContact CE1-CD2 4.33Å; F366-L370 WeakPolarHBondContact O-CB 3.32Å; F366-L370 PolarHBondContact O-N 3.35Å; K367-L370 PolarHBondContact O-N 3.21Å; L370-Y372 VanDerWaalsContact C-N 3.31Å; L370-Y372 PolarHBondContact O-N 3.06Å; L370-W373 PolarHBondContact O-N 2.97Å; L370-N374 WeakPolarHBondContact O-CB 3.48Å; L370-N374 PolarHBondContact O-N 3.05Å; L370-M415 HydrophobicContact CD1-CE 3.9Å; L370-M415 HydrophobicContact CD1-SD 3.73Å; L370-L448 HydrophobicContact CD2-CD1 3.53Å; L370-N451 HydrophobicContact CD2-CB 3.65Å; L370-N451 HydrophobicContact CG-CB 4.21Å; L370-M452 HydrophobicContact CD1-CG 4.09Å; L370-M452 HydrophobicContact CD2-CG 3.55Å; L370-M452 HydrophobicContact CG-CG 4.48Å |
| 371 | E | 97.8 | Very high | 96.2 | Very high | 98 Ų | 98 | 34 Ų | 34 | 46% | 0.458 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.6 | -45.7 | 173.9 | -173.2 | -178.6 | 152 | 0 | 0 | 111.1 | K331 K367 C369 H375 | K331-E371 IonicContact NZ-OE1 2.7Å; K331-E371 PolarHBondContact NZ-OE1 3.19Å; K367-E371 WeakPolarHBondContact O-CB 3.3Å; K367-E371 PolarHBondContact O-N 3.25Å; C369-E371 VanDerWaalsContact C-N 3.29Å; C369-E371 PolarHBondContact O-N 3.44Å; E371-H375 WeakPolarHBondContact O-CB 3.44Å; E371-H375 PolarHBondContact O-N 2.84Å |
| 372 | Y | 98.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.1 | -47.2 | 173.7 | 175.9 | -108.8 | 0 | 0 | 0 | 112.4 | L330 K331 L351 M354 C369 L370 N374 H375 L376 | L330-Y372 HydrophobicContact CB-CD2 3.87Å; L330-Y372 HydrophobicContact CB-CE2 3.28Å; L330-Y372 HydrophobicContact CD1-CE1 3.98Å; L330-Y372 HydrophobicContact CD1-CE2 4.03Å; L330-Y372 HydrophobicContact CG-CE2 4.27Å; K331-Y372 HydrophobicContact CG-CD2 4.12Å; L351-Y372 HydrophobicContact CD2-CE1 3.68Å; L351-Y372 VanDerWaalsContact CD2-OH 3.31Å; L351-Y372 WeakPolarHBondContact CD2-OH 3.35Å; M354-Y372 HydrophobicContact CE-CD1 3.8Å; M354-Y372 HydrophobicContact CE-CG 4Å; M354-Y372 HydrophobicContact CG-CD1 4.41Å; C369-Y372 WeakPolarHBondContact O-CB 3.46Å; C369-Y372 PolarHBondContact O-N 2.91Å; L370-Y372 VanDerWaalsContact C-N 3.31Å; L370-Y372 PolarHBondContact O-N 3.06Å; Y372-N374 VanDerWaalsContact C-N 3.29Å; Y372-N374 PolarHBondContact O-N 2.92Å; Y372-H375 WeakPolarHBondContact O-CB 3.49Å; Y372-H375 PolarHBondContact O-N 3.29Å; Y372-L376 HydrophobicContact CE1-CD2 4.28Å; Y372-L376 WeakPolarHBondContact O-CB 3.14Å; Y372-L376 PolarHBondContact O-N 2.62Å |
| 373 | W | 98.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.5 | -37.6 | -179.1 | -66.9 | 130.5 | 0 | 0 | 0 | 112.6 | L351 M354 L355 S358 C369 L370 L376 A377 V407 V411 T455 | L351-W373 HydrophobicContact CD2-CH2 4.2Å; L351-W373 HydrophobicContact CD2-CZ3 4.1Å; M354-W373 HydrophobicContact CB-CH2 3.94Å; M354-W373 HydrophobicContact CB-CZ2 3.51Å; L355-W373 HydrophobicContact CD2-CH2 4.2Å; L355-W373 HydrophobicContact CD2-CZ2 3.8Å; L355-W373 HydrophobicContact CG-CH2 4.06Å; L355-W373 HydrophobicContact CG-CZ2 3.83Å; S358-W373 PolarHBondContact OG-NE1 3.41Å; C369-W373 PolarHBondContact O-N 3.28Å; L370-W373 PolarHBondContact O-N 2.97Å; W373-L376 HydrophobicContact CE3-CD2 4.01Å; W373-L376 HydrophobicContact CZ3-CD2 3.91Å; W373-A377 VanDerWaalsContact O-CB 3.28Å; W373-A377 WeakPolarHBondContact O-CB 3.33Å; W373-A377 PolarHBondContact O-N 3.32Å; W373-V407 HydrophobicContact CH2-CG1 3.89Å; W373-V407 HydrophobicContact CZ3-CG1 3.96Å; W373-V411 HydrophobicContact CB-CG1 4.09Å; W373-V411 HydrophobicContact CD2-CG1 3.97Å; W373-V411 HydrophobicContact CD2-CG2 3.86Å; W373-V411 HydrophobicContact CE3-CG1 4.13Å; W373-V411 HydrophobicContact CE3-CG2 3.52Å; W373-V411 HydrophobicContact CG-CG1 3.97Å; W373-V411 HydrophobicContact CH2-CG2 3.87Å; W373-V411 HydrophobicContact CZ2-CG2 4.15Å; W373-V411 HydrophobicContact CZ3-CG2 3.54Å; W373-T455 HydrophobicContact CB-CG2 4.17Å |
| 374 | N | 97 | Very high | 95.2 | Very high | 31 Ų | 31 | 34.1 Ų | 34.1 | 17% | 0.166 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.3 | -48.5 | 173.4 | -173.7 | -93.1 | 0 | 0 | 0 | 111 | L370 Y372 L376 A377 A378 T455 | L370-N374 WeakPolarHBondContact O-CB 3.48Å; L370-N374 PolarHBondContact O-N 3.05Å; Y372-N374 VanDerWaalsContact C-N 3.29Å; Y372-N374 PolarHBondContact O-N 2.92Å; N374-L376 PolarHBondContact O-N 3.31Å; N374-A377 PolarHBondContact O-N 3.29Å; N374-A378 VanDerWaalsContact O-CB 3.25Å; N374-A378 WeakPolarHBondContact O-CB 3.31Å; N374-A378 PolarHBondContact O-N 2.7Å; N374-T455 VanDerWaalsContact CA-OG1 3.27Å; N374-T455 WeakPolarHBondContact CA-OG1 3.34Å; N374-T455 VanDerWaalsContact CB-OG1 3.23Å; N374-T455 WeakPolarHBondContact CB-OG1 3.46Å; N374-T455 PolarHBondContact ND2-OG1 3.33Å |
| 375 | H | 96.8 | Very high | 94.6 | Very high | 54 Ų | 54 | 31.8 Ų | 31.8 | 25% | 0.25 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.2 | -49.5 | 176.1 | 172.6 | 83.4 | 0 | 0 | 0 | 112 | K331 E371 Y372 A378 E379 | K331-H375 HydrophobicContact CG-CB 4.36Å; E371-H375 WeakPolarHBondContact O-CB 3.44Å; E371-H375 PolarHBondContact O-N 2.84Å; Y372-H375 WeakPolarHBondContact O-CB 3.49Å; Y372-H375 PolarHBondContact O-N 3.29Å; H375-A378 PolarHBondContact O-N 3.44Å; H375-E379 WeakPolarHBondContact O-CB 3.49Å; H375-E379 WeakPolarHBondContact O-CG 3.3Å; H375-E379 PolarHBondContact O-N 2.79Å |
| 376 | L | 97.8 | Very high | 93.8 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.9 | -48.4 | 178.3 | 177.9 | 64.3 | 0 | 0 | 0 | 111.6 | Y372 W373 N374 A378 E379 L380 Y404 | Y372-L376 HydrophobicContact CE1-CD2 4.28Å; Y372-L376 WeakPolarHBondContact O-CB 3.14Å; Y372-L376 PolarHBondContact O-N 2.62Å; W373-L376 HydrophobicContact CE3-CD2 4.01Å; W373-L376 HydrophobicContact CZ3-CD2 3.91Å; N374-L376 PolarHBondContact O-N 3.31Å; L376-A378 VanDerWaalsContact C-N 3.34Å; L376-A378 PolarHBondContact O-N 2.81Å; L376-E379 PolarHBondContact O-N 3.3Å; L376-L380 HydrophobicContact CD1-CD1 4.04Å; L376-L380 HydrophobicContact CD1-CG 4.19Å; L376-L380 HydrophobicContact CG-CD1 4.16Å; L376-L380 WeakPolarHBondContact O-CG 3.25Å; L376-L380 PolarHBondContact O-N 3.07Å; L376-Y404 HydrophobicContact CD1-CD1 4Å; L376-Y404 HydrophobicContact CD1-CD2 4.16Å; L376-Y404 HydrophobicContact CD1-CE1 3.83Å; L376-Y404 HydrophobicContact CD1-CE2 4.04Å; L376-Y404 HydrophobicContact CD1-CG 4.17Å; L376-Y404 HydrophobicContact CD2-CD1 3.9Å; L376-Y404 HydrophobicContact CD2-CE1 4.17Å; L376-Y404 HydrophobicContact CD2-CG 4.47Å |
| 377 | A | 94.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.9 | -41.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | W373 N374 L380 Y381 T455 Y458 L459 | W373-A377 VanDerWaalsContact O-CB 3.28Å; W373-A377 WeakPolarHBondContact O-CB 3.33Å; W373-A377 PolarHBondContact O-N 3.32Å; N374-A377 PolarHBondContact O-N 3.29Å; A377-L380 PolarHBondContact O-N 3.07Å; A377-Y381 VanDerWaalsContact O-CB 3.29Å; A377-Y381 WeakPolarHBondContact O-CB 3.47Å; A377-Y381 PolarHBondContact O-N 3.18Å; A377-T455 HydrophobicContact CB-CG2 4.2Å; A377-Y458 HydrophobicContact CB-CD2 4.3Å; A377-L459 HydrophobicContact CB-CD2 3.97Å; A377-L459 HydrophobicContact CB-CG 4.06Å |
| 378 | A | 91.1 | Very high | 91.4 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N374 H375 L376 Y381 R382 Y458 | N374-A378 VanDerWaalsContact O-CB 3.25Å; N374-A378 WeakPolarHBondContact O-CB 3.31Å; N374-A378 PolarHBondContact O-N 2.7Å; H375-A378 PolarHBondContact O-N 3.44Å; L376-A378 VanDerWaalsContact C-N 3.34Å; L376-A378 PolarHBondContact O-N 2.81Å; A378-Y381 PolarHBondContact O-N 3.34Å; A378-R382 WeakPolarHBondContact O-CB 3.34Å; A378-R382 WeakPolarHBondContact O-CG 3.47Å; A378-R382 PolarHBondContact O-N 2.97Å; A378-Y458 HydrophobicContact CB-CD2 4.1Å; A378-Y458 HydrophobicContact CB-CE2 3.71Å |
| 379 | E | 92.5 | Very high | 89.6 | Confident | 36 Ų | 36 | 44.4 Ų | 44.4 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 175.7 | -82.7 | -69.9 | 106.5 | 0 | 0 | 112.4 | H375 L376 Y381 R382 E383 R400 | H375-E379 WeakPolarHBondContact O-CB 3.49Å; H375-E379 WeakPolarHBondContact O-CG 3.3Å; H375-E379 PolarHBondContact O-N 2.79Å; L376-E379 PolarHBondContact O-N 3.3Å; E379-Y381 VanDerWaalsContact C-N 3.29Å; E379-Y381 PolarHBondContact O-N 2.97Å; E379-R382 PolarHBondContact O-N 2.98Å; E379-R382 IonicContact OE1-CZ 2.68Å; E379-R382 VanDerWaalsContact OE1-CZ 3.27Å; E379-R382 IonicContact OE1-NE 2.68Å; E379-R382 PolarHBondContact OE1-NE 3.35Å; E379-R382 IonicContact OE1-NH2 3.5Å; E379-R382 PolarHBondContact OE1-NH2 2.97Å; E379-E383 PolarHBondContact O-N 3.08Å; E379-R400 IonicContact OE2-CZ 2.66Å; E379-R400 IonicContact OE2-NH1 3.87Å; E379-R400 PolarHBondContact OE2-NH1 3.48Å; E379-R400 IonicContact OE2-NH2 2.61Å |
| 380 | L | 93.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.4 | -27.5 | 179.2 | -65.5 | 179.5 | 0 | 0 | 0 | 113.1 | L376 A377 S384 R400 R401 Y404 L408 L462 | L376-L380 HydrophobicContact CD1-CD1 4.04Å; L376-L380 HydrophobicContact CD1-CG 4.19Å; L376-L380 HydrophobicContact CG-CD1 4.16Å; L376-L380 WeakPolarHBondContact O-CG 3.25Å; L376-L380 PolarHBondContact O-N 3.07Å; A377-L380 PolarHBondContact O-N 3.07Å; L380-S384 PolarHBondContact O-N 2.91Å; L380-R400 HydrophobicContact CD2-CB 3.92Å; L380-R401 HydrophobicContact CD2-CB 4.35Å; L380-R401 PolarHBondContact O-NH2 3.44Å; L380-Y404 HydrophobicContact CD1-CD2 4.22Å; L380-Y404 HydrophobicContact CD1-CG 4.31Å; L380-Y404 HydrophobicContact CD2-CD2 4.14Å; L380-L408 HydrophobicContact CD1-CD1 4.09Å; L380-L408 HydrophobicContact CD1-CD2 3.82Å; L380-L408 HydrophobicContact CD1-CG 4.49Å; L380-L462 HydrophobicContact CB-CD1 3.9Å |
| 381 | Y | 87.6 | Confident | 85 | Confident | 69 Ų | 69 | 55 Ų | 55 | 27% | 0.271 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73.8 | -40.4 | 171.6 | -177.5 | -95.1 | 0 | 0 | 0 | 112.1 | A377 A378 E379 E383 S384 P385 Y458 H461 L462 | A377-Y381 VanDerWaalsContact O-CB 3.29Å; A377-Y381 WeakPolarHBondContact O-CB 3.47Å; A377-Y381 PolarHBondContact O-N 3.18Å; A378-Y381 PolarHBondContact O-N 3.34Å; E379-Y381 VanDerWaalsContact C-N 3.29Å; E379-Y381 PolarHBondContact O-N 2.97Å; Y381-E383 VanDerWaalsContact C-N 3.31Å; Y381-E383 PolarHBondContact O-N 3.01Å; Y381-S384 CarbonylContact O-C 3.16Å; Y381-S384 PolarHBondContact O-N 3.24Å; Y381-P385 HydrophobicContact CD2-CB 4Å; Y381-P385 HydrophobicContact CE1-CB 4.09Å; Y381-P385 HydrophobicContact CE2-CB 3.46Å; Y381-P385 VanDerWaalsContact CE2-CB 3.46Å; Y381-Y458 AromaticContact CD1-CD1 3.68Å; Y381-Y458 HydrophobicContact CD1-CD1 3.68Å; Y381-Y458 AromaticContact CD1-CE1 3.72Å; Y381-Y458 HydrophobicContact CD1-CE1 3.72Å; Y381-Y458 AromaticContact CD2-CD1 3.98Å; Y381-Y458 HydrophobicContact CD2-CD1 3.98Å; Y381-Y458 HydrophobicContact CE1-CD1 4.25Å; Y381-Y458 HydrophobicContact CE1-CE1 4.15Å; Y381-Y458 AromaticContact CG-CD1 3.52Å; Y381-Y458 HydrophobicContact CG-CD1 3.52Å; Y381-Y458 HydrophobicContact CG-CE1 4.07Å; Y381-Y458 HydrophobicContact CG-CG 4.44Å; Y381-H461 HydrophobicContact CD2-CB 3.87Å; Y381-H461 HydrophobicContact CE2-CB 3.5Å; Y381-H461 AromaticContact CE2-CG 3.7Å; Y381-L462 HydrophobicContact CD2-CD2 4.31Å |
| 382 | R | 88.8 | Confident | 82.6 | Confident | 159 Ų | 159 | 56.5 Ų | 56.5 | 60% | 0.6 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.2 | -35.8 | 172.5 | -78.5 | -168.9 | -74.5 | -96.8 | 5.9 | 112.5 | A378 E379 | A378-R382 WeakPolarHBondContact O-CB 3.34Å; A378-R382 WeakPolarHBondContact O-CG 3.47Å; A378-R382 PolarHBondContact O-N 2.97Å; E379-R382 PolarHBondContact O-N 2.98Å; E379-R382 IonicContact OE1-CZ 2.68Å; E379-R382 VanDerWaalsContact OE1-CZ 3.27Å; E379-R382 IonicContact OE1-NE 2.68Å; E379-R382 PolarHBondContact OE1-NE 3.35Å; E379-R382 IonicContact OE1-NH2 3.5Å; E379-R382 PolarHBondContact OE1-NH2 2.97Å |
| 383 | E | 90.7 | Very high | 80 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 30% | 0.299 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 173.9 | -176.2 | -172.7 | -150.7 | 0 | 0 | 111.2 | E379 Y381 P398 P399 R400 R401 | E379-E383 PolarHBondContact O-N 3.08Å; Y381-E383 VanDerWaalsContact C-N 3.31Å; Y381-E383 PolarHBondContact O-N 3.01Å; E383-P398 HydrophobicContact CG-CB 3.87Å; E383-P398 WeakPolarHBondContact OE1-CB 3.46Å; E383-P398 VanDerWaalsContact OE2-CB 3.31Å; E383-P398 WeakPolarHBondContact OE2-CB 3.49Å; E383-P399 WeakPolarHBondContact OE1-CD 3.47Å; E383-R400 WeakPolarHBondContact OE1-CB 3.32Å; E383-R400 PolarHBondContact OE1-N 3.3Å; E383-R400 VanDerWaalsContact OE1-N 3.12Å; E383-R400 WeakPolarHBondContact OE2-CB 3.4Å; E383-R401 PolarHBondContact OE2-N 3.44Å |
| 384 | S | 88.6 | Confident | 77.5 | Confident | 24 Ų | 24 | 71.1 Ų | 71.1 | 17% | 0.168 | 39% | 0.388 | C | S | . | . | trans | -158.8 | 126.7 | 171.4 | 170.2 | 0 | 0 | 0 | 0 | 110.3 | L380 Y381 F386 R401 | L380-S384 PolarHBondContact O-N 2.91Å; Y381-S384 CarbonylContact O-C 3.16Å; Y381-S384 PolarHBondContact O-N 3.24Å; S384-F386 VanDerWaalsContact C-N 3.25Å; S384-F386 PolarHBondContact O-N 3.46Å; S384-R401 PolarHBondContact O-NH2 2.83Å | ||
| 385 | P | 83.8 | Confident | 75.4 | Confident | 44 Ų | 44 | 74.6 Ų | 74.6 | 29% | 0.286 | 41% | 0.414 | S | S | . | . | trans | -82.5 | -3.8 | -179.3 | 32.5 | -36.2 | 0 | 0 | 0 | 113.2 | Y381 | Y381-P385 HydrophobicContact CD2-CB 4Å; Y381-P385 HydrophobicContact CE1-CB 4.09Å; Y381-P385 HydrophobicContact CE2-CB 3.46Å; Y381-P385 VanDerWaalsContact CE2-CB 3.46Å | ||
| 386 | F | 82 | Confident | 74.1 | Confident | 150 Ų | 150 | 78.2 Ų | 78.2 | 66% | 0.658 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -93.3 | 143.9 | -169.1 | -54 | -67.6 | 0 | 0 | 0 | 112.6 | S384 R401 | S384-F386 VanDerWaalsContact C-N 3.25Å; S384-F386 PolarHBondContact O-N 3.46Å; F386-R401 PolarHBondContact O-NH1 3.02Å |
| 387 | S | 75.9 | Confident | 73.2 | Confident | 39 Ų | 39 | 79.5 Ų | 79.5 | 27% | 0.273 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 156.3 | 168.8 | -70.4 | 0 | 0 | 0 | 0 | 111.4 | S389 H461 | S387-S389 PolarHBondContact O-N 3.38Å; S387-H461 PolarHBondContact N-O 3.23Å; S387-H461 PolarHBondContact OG-O 2.91Å |
| 388 | T | 69.5 | Low | 72.9 | Confident | 66 Ų | 66 | 80.3 Ų | 80.3 | 41% | 0.405 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 123.8 | 177.7 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | V397 | T388-V397 HydrophobicContact CG2-CG2 3.81Š|
| 389 | S | 58.9 | Low | 72.7 | Confident | 78 Ų | 78 | 84.9 Ų | 84.9 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 138.3 | 177.2 | -72.1 | 0 | 0 | 0 | 0 | 111.9 | S387 T391 | S387-S389 PolarHBondContact O-N 3.38Å; S389-T391 PolarHBondContact O-N 3.16Å; S389-T391 VanDerWaalsContact O-N 3.09Å |
| 390 | S | 53.4 | Low | 72.7 | Confident | 127 Ų | 127 | 85.4 Ų | 85.4 | 89% | 0.888 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -71.8 | 5.4 | 178 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | P392 | S390-P392 WeakPolarHBondContact O-CD 3.47Š|
| 391 | T | 47.8 | Very low | 72.5 | Confident | 97 Ų | 97 | 85.6 Ų | 85.6 | 60% | 0.595 | 48% | 0.479 | S | S | * | . | trans | -91.6 | 115.8 | -178.4 | 15.3 | 0 | 0 | 0 | 0 | 111.1 | S389 L393 | S389-T391 PolarHBondContact O-N 3.16Å; S389-T391 VanDerWaalsContact O-N 3.09Å; T391-L393 PolarHBondContact O-N 3.44Å | ||
| 392 | P | 47.3 | Very low | 72.7 | Confident | 130 Ų | 130 | 87.5 Ų | 87.5 | 84% | 0.844 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -2.4 | -170 | -20 | 31.7 | 0 | 0 | 0 | 117 | S390 | S390-P392 WeakPolarHBondContact O-CD 3.47Š|
| 393 | L | 42.7 | Very low | 72.9 | Confident | 168 Ų | 168 | 81.1 Ų | 81.1 | 88% | 0.88 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -10.1 | -165.8 | -94.4 | 132.1 | 0 | 0 | 0 | 115 | T391 | T391-L393 PolarHBondContact O-N 3.44Š|
| 394 | L | 47.1 | Very low | 73.1 | Confident | 145 Ų | 145 | 78.1 Ų | 78.1 | 76% | 0.759 | 45% | 0.454 | S | S | * | . | trans | -140.6 | 111.7 | 173.6 | -74.8 | 163.9 | 0 | 0 | 0 | 108.4 | D396 | L394-D396 PolarHBondContact O-N 3.48Š| ||
| 395 | S | 52.4 | Low | 73.2 | Confident | 103 Ų | 103 | 80.3 Ų | 80.3 | 72% | 0.72 | 46% | 0.463 | S | S | * | . | trans | -69.6 | 81 | 168.8 | 164.3 | 0 | 0 | 0 | 0 | 108.7 | V397 | S395-V397 PolarHBondContact O-N 3.47Å; S395-V397 VanDerWaalsContact O-N 3.08Å | ||
| 396 | D | 69.2 | Low | 73.5 | Confident | 130 Ų | 130 | 82.2 Ų | 82.2 | 70% | 0.695 | 48% | 0.475 | S | S | * | . | trans | -80 | 25 | -179.4 | -149.8 | 22 | 0 | 0 | 0 | 112.3 | L394 P398 | L394-D396 PolarHBondContact O-N 3.48Å; D396-P398 WeakPolarHBondContact O-CD 3.36Å | ||
| 397 | V | 79.8 | Confident | 74.1 | Confident | 33 Ų | 33 | 75.4 Ų | 75.4 | 20% | 0.2 | 45% | 0.446 | C | S | . | . | trans | -76.3 | 123.7 | 178.9 | -171.6 | 0 | 0 | 0 | 0 | 108.5 | T388 S395 R401 H402 L405 | T388-V397 HydrophobicContact CG2-CG2 3.81Å; S395-V397 PolarHBondContact O-N 3.47Å; S395-V397 VanDerWaalsContact O-N 3.08Å; V397-R401 HydrophobicContact CG1-CB 4.33Å; V397-R401 HydrophobicContact CG1-CG 4.35Å; V397-H402 HydrophobicContact CG1-CB 3.99Å; V397-L405 HydrophobicContact CG1-CD1 4.26Å | ||
| 398 | P | 87.2 | Confident | 75.1 | Confident | 18 Ų | 18 | 73.7 Ų | 73.7 | 12% | 0.117 | 43% | 0.434 | C | S | . | . | trans | -56.5 | 144.7 | 175.6 | -24 | 32.5 | 0 | 0 | 0 | 112.1 | E383 D396 R400 R401 H402 | E383-P398 HydrophobicContact CG-CB 3.87Å; E383-P398 WeakPolarHBondContact OE1-CB 3.46Å; E383-P398 VanDerWaalsContact OE2-CB 3.31Å; E383-P398 WeakPolarHBondContact OE2-CB 3.49Å; D396-P398 WeakPolarHBondContact O-CD 3.36Å; P398-R400 PolarHBondContact O-N 3Å; P398-R401 HydrophobicContact CB-CB 4.21Å; P398-R401 PolarHBondContact O-N 2.9Å; P398-H402 PolarHBondContact O-N 3.29Å | ||
| 399 | P | 86.9 | Confident | 76.3 | Confident | 102 Ų | 102 | 72.2 Ų | 72.2 | 66% | 0.662 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | -170.8 | 24.2 | -34.1 | 0 | 0 | 0 | 113.2 | E383 | E383-P399 WeakPolarHBondContact OE1-CD 3.47Å |
| 400 | R | 92.6 | Very high | 78.2 | Confident | 48 Ų | 48 | 72.9 Ų | 72.9 | 18% | 0.181 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.8 | -47.9 | 177.2 | -61 | 177.9 | 69.3 | -160.6 | -1.8 | 109.9 | E338 E379 L380 E383 P398 H402 L403 Y404 | E338-R400 IonicContact OE1-CZ 3.54Å; E338-R400 IonicContact OE1-NE 3.3Å; E338-R400 IonicContact OE1-NH2 2.78Å; E338-R400 PolarHBondContact OE1-NH2 2.69Å; E338-R400 IonicContact OE2-CZ 3.28Å; E338-R400 IonicContact OE2-NE 2.73Å; E338-R400 PolarHBondContact OE2-NE 3.42Å; E338-R400 IonicContact OE2-NH2 3.34Å; E338-R400 PolarHBondContact OE2-NH2 3.45Å; E379-R400 IonicContact OE2-CZ 2.66Å; E379-R400 IonicContact OE2-NH1 3.87Å; E379-R400 PolarHBondContact OE2-NH1 3.48Å; E379-R400 IonicContact OE2-NH2 2.61Å; L380-R400 HydrophobicContact CD2-CB 3.92Å; E383-R400 WeakPolarHBondContact OE1-CB 3.32Å; E383-R400 PolarHBondContact OE1-N 3.3Å; E383-R400 VanDerWaalsContact OE1-N 3.12Å; E383-R400 WeakPolarHBondContact OE2-CB 3.4Å; P398-R400 PolarHBondContact O-N 3Å; R400-H402 PolarHBondContact O-N 3.13Å; R400-L403 VanDerWaalsContact O-CB 3.3Å; R400-L403 WeakPolarHBondContact O-CB 3.23Å; R400-L403 PolarHBondContact O-N 3.34Å; R400-Y404 VanDerWaalsContact O-CD2 3.25Å; R400-Y404 WeakPolarHBondContact O-CD2 3.31Å |
| 401 | R | 91.4 | Very high | 80.3 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.015 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -52.7 | -42.4 | 176.7 | -173.6 | -179.1 | -53.8 | 167.8 | 12.5 | 113 | L380 E383 S384 F386 V397 P398 L403 Y404 L405 L408 L462 | L380-R401 HydrophobicContact CD2-CB 4.35Å; L380-R401 PolarHBondContact O-NH2 3.44Å; E383-R401 PolarHBondContact OE2-N 3.44Å; S384-R401 PolarHBondContact O-NH2 2.83Å; F386-R401 PolarHBondContact O-NH1 3.02Å; V397-R401 HydrophobicContact CG1-CB 4.33Å; V397-R401 HydrophobicContact CG1-CG 4.35Å; P398-R401 HydrophobicContact CB-CB 4.21Å; P398-R401 PolarHBondContact O-N 2.9Å; R401-L403 PolarHBondContact O-N 2.58Å; R401-Y404 PolarHBondContact O-N 3.39Å; R401-L405 HydrophobicContact CG-CD2 4.41Å; R401-L405 PolarHBondContact O-N 2.98Å; R401-L405 VanDerWaalsContact O-N 3.09Å; R401-L408 HydrophobicContact CG-CD1 4.16Å; R401-L462 VanDerWaalsContact NH2-CD2 3.34Å |
| 402 | H | 90.1 | Very high | 82.7 | Confident | 108 Ų | 108 | 62.7 Ų | 62.7 | 50% | 0.5 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.4 | -35.7 | 179.6 | -172.5 | 79.5 | 0 | 0 | 0 | 112.5 | V397 P398 R400 | V397-H402 HydrophobicContact CG1-CB 3.99Å; P398-H402 PolarHBondContact O-N 3.29Å; R400-H402 PolarHBondContact O-N 3.13Å |
| 403 | L | 92.8 | Very high | 85.1 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 13% | 0.131 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 175.9 | -60.4 | 173.1 | 0 | 0 | 0 | 111.7 | E338 M348 R400 R401 P406 | E338-L403 HydrophobicContact CB-CD1 4.18Å; E338-L403 HydrophobicContact CG-CD1 4.39Å; M348-L403 WeakPolarHBondContact CE-O 3.31Å; R400-L403 VanDerWaalsContact O-CB 3.3Å; R400-L403 WeakPolarHBondContact O-CB 3.23Å; R400-L403 PolarHBondContact O-N 3.34Å; R401-L403 PolarHBondContact O-N 2.58Å; L403-P406 WeakPolarHBondContact O-CD 3.5Å |
| 404 | Y | 95.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -88.5 | -8.9 | -172.7 | -65.9 | -81.6 | 0 | 0 | 0 | 114.5 | E338 L347 L351 L376 L380 R400 R401 P406 V407 L408 | E338-Y404 HydrophobicContact CG-CE2 4.16Å; E338-Y404 WeakPolarHBondContact CG-OH 3.09Å; E338-Y404 PolarHBondContact OE1-OH 3.12Å; L347-Y404 HydrophobicContact CD2-CE1 4.49Å; L351-Y404 HydrophobicContact CD1-CD1 3.64Å; L351-Y404 HydrophobicContact CD1-CE1 3.59Å; L351-Y404 HydrophobicContact CD2-CE1 4.16Å; L351-Y404 HydrophobicContact CG-CE1 4.46Å; L376-Y404 HydrophobicContact CD1-CD1 4Å; L376-Y404 HydrophobicContact CD1-CD2 4.16Å; L376-Y404 HydrophobicContact CD1-CE1 3.83Å; L376-Y404 HydrophobicContact CD1-CE2 4.04Å; L376-Y404 HydrophobicContact CD1-CG 4.17Å; L376-Y404 HydrophobicContact CD2-CD1 3.9Å; L376-Y404 HydrophobicContact CD2-CE1 4.17Å; L376-Y404 HydrophobicContact CD2-CG 4.47Å; L380-Y404 HydrophobicContact CD1-CD2 4.22Å; L380-Y404 HydrophobicContact CD1-CG 4.31Å; L380-Y404 HydrophobicContact CD2-CD2 4.14Å; R400-Y404 VanDerWaalsContact O-CD2 3.25Å; R400-Y404 WeakPolarHBondContact O-CD2 3.31Å; R401-Y404 PolarHBondContact O-N 3.39Å; Y404-P406 VanDerWaalsContact C-N 3.29Å; Y404-P406 VanDerWaalsContact O-N 3.09Å; Y404-V407 PolarHBondContact O-N 2.86Å; Y404-L408 WeakPolarHBondContact O-CG 3.47Å; Y404-L408 PolarHBondContact O-N 3.29Å |
| 405 | L | 90.7 | Very high | 90.2 | Very high | 71 Ų | 71 | 45.4 Ų | 45.4 | 37% | 0.372 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -43.9 | -43.9 | -179.5 | -77.1 | 175.1 | 0 | 0 | 0 | 114.6 | V397 R401 V407 | V397-L405 HydrophobicContact CG1-CD1 4.26Å; R401-L405 HydrophobicContact CG-CD2 4.41Å; R401-L405 PolarHBondContact O-N 2.98Å; R401-L405 VanDerWaalsContact O-N 3.09Å; L405-V407 PolarHBondContact O-N 2.93Å |
| 406 | P | 90 | Very high | 92.4 | Very high | 83 Ų | 83 | 40.6 Ų | 40.6 | 54% | 0.539 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.5 | -23.1 | 179.5 | -22.7 | 35.1 | 0 | 0 | 0 | 114.7 | L403 Y404 Q410 | L403-P406 WeakPolarHBondContact O-CD 3.5Å; Y404-P406 VanDerWaalsContact C-N 3.29Å; Y404-P406 VanDerWaalsContact O-N 3.09Å; P406-Q410 PolarHBondContact O-NE2 3.5Å |
| 407 | V | 95.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -99.3 | -35.8 | -175 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | M348 L351 L355 W373 Y404 L405 S409 Q410 V411 | M348-V407 HydrophobicContact SD-CG2 4.08Å; L351-V407 HydrophobicContact CB-CG1 4.34Å; L351-V407 HydrophobicContact CB-CG2 4.14Å; L351-V407 HydrophobicContact CD1-CG2 4Å; L355-V407 HydrophobicContact CD1-CG1 4.11Å; W373-V407 HydrophobicContact CH2-CG1 3.89Å; W373-V407 HydrophobicContact CZ3-CG1 3.96Å; Y404-V407 PolarHBondContact O-N 2.86Å; L405-V407 PolarHBondContact O-N 2.93Å; V407-S409 VanDerWaalsContact C-N 3.28Å; V407-S409 PolarHBondContact O-N 3.2Å; V407-Q410 WeakPolarHBondContact O-CA 3.46Å; V407-Q410 WeakPolarHBondContact O-CB 3.49Å; V407-Q410 PolarHBondContact O-N 3.48Å; V407-V411 HydrophobicContact CG1-CG2 3.92Å; V407-V411 PolarHBondContact O-N 2.92Å |
| 408 | L | 95.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.5 | -38.6 | -174.1 | -65.9 | 178.7 | 0 | 0 | 0 | 113.5 | L380 R401 Y404 Q410 V411 R412 L459 L462 | L380-L408 HydrophobicContact CD1-CD1 4.09Å; L380-L408 HydrophobicContact CD1-CD2 3.82Å; L380-L408 HydrophobicContact CD1-CG 4.49Å; R401-L408 HydrophobicContact CG-CD1 4.16Å; Y404-L408 WeakPolarHBondContact O-CG 3.47Å; Y404-L408 PolarHBondContact O-N 3.29Å; L408-Q410 VanDerWaalsContact C-N 3.32Å; L408-Q410 PolarHBondContact O-N 3.39Å; L408-V411 PolarHBondContact O-N 3.23Å; L408-R412 WeakPolarHBondContact O-CG 3.4Å; L408-R412 PolarHBondContact O-N 2.94Å; L408-L459 HydrophobicContact CD2-CD2 3.78Å; L408-L462 HydrophobicContact CD1-CD1 4.45Å |
| 409 | S | 95.9 | Very high | 95 | Very high | 34 Ų | 34 | 36 Ų | 36 | 24% | 0.238 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.2 | -36.4 | 177 | -165.9 | 0 | 0 | 0 | 0 | 112.3 | V407 R412 L413 D466 | V407-S409 VanDerWaalsContact C-N 3.28Å; V407-S409 PolarHBondContact O-N 3.2Å; S409-R412 PolarHBondContact O-N 3.45Å; S409-L413 PolarHBondContact O-N 3.12Å; S409-D466 WeakPolarHBondContact CA-OD2 3.41Å; S409-D466 WeakPolarHBondContact CB-OD2 3.25Å; S409-D466 PolarHBondContact OG-OD1 2.86Å; S409-D466 PolarHBondContact OG-OD2 3.42Å |
| 410 | Q | 97.6 | Very high | 95.3 | Very high | 92 Ų | 92 | 32 Ų | 32 | 43% | 0.43 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.4 | -37.4 | 175.8 | -59.1 | -177.2 | 44.8 | 0 | 0 | 111.3 | L355 P406 V407 L408 L413 L414 | L355-Q410 HydrophobicContact CD1-CB 4.01Å; L355-Q410 VanDerWaalsContact CD1-OE1 3.28Å; L355-Q410 HydrophobicContact CD2-CB 4.01Å; P406-Q410 PolarHBondContact O-NE2 3.5Å; V407-Q410 WeakPolarHBondContact O-CA 3.46Å; V407-Q410 WeakPolarHBondContact O-CB 3.49Å; V407-Q410 PolarHBondContact O-N 3.48Å; L408-Q410 VanDerWaalsContact C-N 3.32Å; L408-Q410 PolarHBondContact O-N 3.39Å; Q410-L413 PolarHBondContact O-N 2.88Å; Q410-L414 WeakPolarHBondContact O-CB 3.43Å; Q410-L414 PolarHBondContact O-N 3.22Å |
| 411 | V | 98.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.8 | -40 | 174.7 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | L355 W373 V407 L408 L413 L414 M415 L459 | L355-V411 HydrophobicContact CD2-CG2 4.03Å; W373-V411 HydrophobicContact CB-CG1 4.09Å; W373-V411 HydrophobicContact CD2-CG1 3.97Å; W373-V411 HydrophobicContact CD2-CG2 3.86Å; W373-V411 HydrophobicContact CE3-CG1 4.13Å; W373-V411 HydrophobicContact CE3-CG2 3.52Å; W373-V411 HydrophobicContact CG-CG1 3.97Å; W373-V411 HydrophobicContact CH2-CG2 3.87Å; W373-V411 HydrophobicContact CZ2-CG2 4.15Å; W373-V411 HydrophobicContact CZ3-CG2 3.54Å; V407-V411 HydrophobicContact CG1-CG2 3.92Å; V407-V411 PolarHBondContact O-N 2.92Å; L408-V411 PolarHBondContact O-N 3.23Å; V411-L413 VanDerWaalsContact C-N 3.35Å; V411-L413 PolarHBondContact O-N 3.22Å; V411-L414 WeakPolarHBondContact O-CB 3.38Å; V411-L414 PolarHBondContact O-N 3.48Å; V411-M415 HydrophobicContact CG1-CE 4.29Å; V411-M415 WeakPolarHBondContact O-CG 3.37Å; V411-M415 PolarHBondContact O-N 3.27Å; V411-L459 HydrophobicContact CB-CD1 4.13Å; V411-L459 HydrophobicContact CG1-CD1 3.69Å |
| 412 | R | 98.3 | Very high | 94.8 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 3% | 0.034 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.1 | -48.1 | 171.5 | -72.6 | -177.2 | -168.4 | 99.4 | 9.8 | 111.2 | L408 S409 L414 M415 V416 L459 D463 D466 T467 I470 | L408-R412 WeakPolarHBondContact O-CG 3.4Å; L408-R412 PolarHBondContact O-N 2.94Å; S409-R412 PolarHBondContact O-N 3.45Å; R412-L414 VanDerWaalsContact C-N 3.32Å; R412-L414 PolarHBondContact O-N 2.85Å; R412-M415 PolarHBondContact O-N 3.12Å; R412-V416 WeakPolarHBondContact O-CG2 3.46Å; R412-V416 PolarHBondContact O-N 3.39Å; R412-L459 HydrophobicContact CG-CB 3.71Å; R412-L459 HydrophobicContact CG-CD1 3.93Å; R412-L459 HydrophobicContact CG-CG 4.35Å; R412-L459 PolarHBondContact NE-O 2.85Å; R412-L459 PolarHBondContact NH2-O 3.34Å; R412-D463 VanDerWaalsContact NH2-CB 3.29Å; R412-D466 IonicContact CZ-OD2 3.22Å; R412-D466 IonicContact NE-OD2 2.78Å; R412-D466 IonicContact NH1-OD2 3.22Å; R412-D466 PolarHBondContact NH1-OD2 2.87Å; R412-T467 WeakPolarHBondContact CD-OG1 3.31Å; R412-I470 HydrophobicContact CB-CD1 3.67Å |
| 413 | L | 98.1 | Very high | 94.4 | Very high | 77 Ų | 77 | 33.4 Ų | 33.4 | 40% | 0.403 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.3 | -42.9 | 177.2 | 178.5 | 63.1 | 0 | 0 | 0 | 111.8 | S409 Q410 V411 V416 S417 I470 K474 | S409-L413 PolarHBondContact O-N 3.12Å; Q410-L413 PolarHBondContact O-N 2.88Å; V411-L413 VanDerWaalsContact C-N 3.35Å; V411-L413 PolarHBondContact O-N 3.22Å; L413-V416 PolarHBondContact O-N 3.17Å; L413-S417 WeakPolarHBondContact O-CB 3.36Å; L413-S417 PolarHBondContact O-N 3.28Å; L413-S417 PolarHBondContact O-OG 3.38Å; L413-I470 HydrophobicContact CB-CD1 4.46Å; L413-I470 HydrophobicContact CD1-CG2 3.9Å; L413-K474 HydrophobicContact CD1-CD 4.41Å |
| 414 | L | 97.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.1 | -50.8 | 175.7 | 173.8 | 70.1 | 0 | 0 | 0 | 111.2 | S358 E359 F366 Q410 V411 R412 V416 S417 R418 | S358-L414 VanDerWaalsContact CB-CD2 3.44Å; E359-L414 WeakPolarHBondContact OE1-CD1 3.32Å; F366-L414 HydrophobicContact CE2-CD1 4.21Å; F366-L414 HydrophobicContact CE2-CD2 4.41Å; F366-L414 HydrophobicContact CE2-CG 4.37Å; Q410-L414 WeakPolarHBondContact O-CB 3.43Å; Q410-L414 PolarHBondContact O-N 3.22Å; V411-L414 WeakPolarHBondContact O-CB 3.38Å; V411-L414 PolarHBondContact O-N 3.48Å; R412-L414 VanDerWaalsContact C-N 3.32Å; R412-L414 PolarHBondContact O-N 2.85Å; L414-V416 VanDerWaalsContact C-N 3.31Å; L414-V416 PolarHBondContact O-N 3.21Å; L414-S417 PolarHBondContact O-N 3.07Å; L414-R418 HydrophobicContact CD1-CG 4.2Å; L414-R418 PolarHBondContact O-N 3.46Å |
| 415 | M | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.2 | -42.4 | 178.9 | -67.9 | -54.8 | 114.1 | 0 | 0 | 111.7 | F366 L370 V411 R412 M419 M452 T455 L456 | F366-M415 HydrophobicContact CZ-CE 4.4Å; L370-M415 HydrophobicContact CD1-CE 3.9Å; L370-M415 HydrophobicContact CD1-SD 3.73Å; V411-M415 HydrophobicContact CG1-CE 4.29Å; V411-M415 WeakPolarHBondContact O-CG 3.37Å; V411-M415 PolarHBondContact O-N 3.27Å; R412-M415 PolarHBondContact O-N 3.12Å; M415-M419 WeakPolarHBondContact O-CB 3.37Å; M415-M419 PolarHBondContact O-N 3.46Å; M415-M452 HydrophobicContact SD-CB 4.39Å; M415-M452 HydrophobicContact SD-CE 4.01Å; M415-M452 HydrophobicContact SD-CG 4.41Å; M415-T455 HydrophobicContact CG-CG2 4.13Å; M415-T455 HydrophobicContact SD-CG2 3.99Å; M415-L456 HydrophobicContact CB-CB 4.08Å; M415-L456 HydrophobicContact CB-CD1 4.01Å; M415-L456 HydrophobicContact CB-CD2 4.41Å; M415-L456 HydrophobicContact CB-CG 4.38Å; M415-L456 HydrophobicContact CG-CB 4.39Å |
| 416 | V | 98.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.3 | -38.9 | 177 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | R412 L413 L414 L456 I470 M471 K474 L492 A495 | R412-V416 WeakPolarHBondContact O-CG2 3.46Å; R412-V416 PolarHBondContact O-N 3.39Å; L413-V416 PolarHBondContact O-N 3.17Å; L414-V416 VanDerWaalsContact C-N 3.31Å; L414-V416 PolarHBondContact O-N 3.21Å; V416-L456 HydrophobicContact CG2-CD1 4.23Å; V416-L456 HydrophobicContact CG2-CD2 4.14Å; V416-I470 HydrophobicContact CB-CG2 4.41Å; V416-I470 HydrophobicContact CG1-CG2 4.5Å; V416-I470 HydrophobicContact CG2-CG2 4.3Å; V416-M471 HydrophobicContact CG1-CG 4.4Å; V416-M471 HydrophobicContact CG2-CE 3.87Å; V416-M471 HydrophobicContact CG2-CG 4.22Å; V416-K474 HydrophobicContact CG1-CD 3.77Å; V416-L492 HydrophobicContact CG1-CD1 3.94Å; V416-A495 HydrophobicContact CB-CB 4.3Å; V416-A495 HydrophobicContact CG1-CB 4.12Å; V416-A495 HydrophobicContact CG2-CB 4.24Å |
| 417 | S | 97.1 | Very high | 91.1 | Very high | 32 Ų | 32 | 39.8 Ų | 39.8 | 22% | 0.224 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -77.8 | -23.9 | -174.4 | -57.7 | 0 | 0 | 0 | 0 | 113.7 | L413 L414 K474 M491 | L413-S417 WeakPolarHBondContact O-CB 3.36Å; L413-S417 PolarHBondContact O-N 3.28Å; L413-S417 PolarHBondContact O-OG 3.38Å; L414-S417 PolarHBondContact O-N 3.07Å; S417-K474 WeakPolarHBondContact OG-CE 3.29Å; S417-M491 VanDerWaalsContact O-CE 3.28Å; S417-M491 WeakPolarHBondContact O-CE 3.38Å; S417-M491 VanDerWaalsContact O-SD 3.36Å |
| 418 | R | 96.4 | Very high | 90.3 | Very high | 52 Ų | 52 | 41.4 Ų | 41.4 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -118.8 | 11.2 | -176.4 | -64.1 | -159.7 | 66.3 | 179.5 | 1 | 114.3 | S358 V360 F366 L414 A420 M452 | S358-R418 PolarHBondContact O-NH1 2.89Å; V360-R418 PolarHBondContact O-NH1 3.24Å; V360-R418 PolarHBondContact O-NH2 3.01Å; F366-R418 HydrophobicContact CZ-CB 4.3Å; L414-R418 HydrophobicContact CD1-CG 4.2Å; L414-R418 PolarHBondContact O-N 3.46Å; R418-A420 PolarHBondContact O-N 3.04Å; R418-M452 VanDerWaalsContact C-CE 3.49Å; R418-M452 HydrophobicContact CB-CE 4.16Å; R418-M452 WeakPolarHBondContact O-CE 3.42Å |
| 419 | M | 97.2 | Very high | 89.5 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -48.6 | 123.1 | -175.4 | -174.7 | 59 | 60.2 | 0 | 0 | 111.7 | M415 Y449 M452 L456 W494 A495 | M415-M419 WeakPolarHBondContact O-CB 3.37Å; M415-M419 PolarHBondContact O-N 3.46Å; M419-Y449 HydrophobicContact SD-CD2 3.91Å; M419-Y449 HydrophobicContact SD-CE2 4Å; M419-M452 HydrophobicContact CE-CB 4.15Å; M419-M452 HydrophobicContact SD-CB 3.89Å; M419-L456 HydrophobicContact CE-CB 4.45Å; M419-L456 HydrophobicContact CE-CD2 3.71Å; M419-W494 HydrophobicContact CB-CB 4.49Å; M419-W494 HydrophobicContact CG-CB 3.82Å; M419-A495 HydrophobicContact CB-CB 4.02Å; M419-A495 HydrophobicContact CE-CB 4.16Å; M419-A495 HydrophobicContact CG-CB 4.15Å |
| 420 | A | 93.4 | Very high | 88.7 | Confident | 17 Ų | 17 | 47.6 Ų | 47.6 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 161.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R418 L448 Y449 M452 | R418-A420 PolarHBondContact O-N 3.04Å; A420-L448 HydrophobicContact CB-CD2 4.15Å; A420-L448 HydrophobicContact CB-CG 4.1Å; A420-Y449 WeakPolarHBondContact O-CD2 3.31Å; A420-M452 HydrophobicContact CB-SD 3.99Å; A420-M452 PolarHBondContact N-SD 3.1Å; A420-M452 VanDerWaalsContact N-SD 3.45Å |
| 421 | K | 90.1 | Very high | 87.5 | Confident | 110 Ų | 110 | 48.8 Ų | 48.8 | 48% | 0.478 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 131.3 | 178.7 | -169.6 | -174.8 | -178.6 | -166.8 | 0 | 109.8 | E423 W494 | K421-E423 WeakPolarHBondContact CD-O 2.95Å; K421-E423 WeakPolarHBondContact CE-O 3.1Å; K421-E423 WeakPolarHBondContact CG-O 3.38Å; K421-E423 PolarHBondContact NZ-O 2.67Å; K421-W494 HydrophobicContact CB-CE3 4.43Å; K421-W494 HydrophobicContact CB-CH2 3.91Å; K421-W494 HydrophobicContact CB-CZ2 4.29Å; K421-W494 HydrophobicContact CB-CZ3 3.99Å; K421-W494 HydrophobicContact CG-CH2 3.93Å; K421-W494 HydrophobicContact CG-CZ2 3.85Å; K421-W494 HydrophobicContact CG-CZ3 4.45Å |
| 422 | P | 85.1 | Confident | 86.3 | Confident | 16 Ų | 16 | 50 Ų | 50 | 10% | 0.104 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -71.5 | -31 | -174.4 | 26.8 | -36.5 | 0 | 0 | 0 | 114.5 | Y449 W494 Y541 | P422-Y449 HydrophobicContact CB-CD1 4.28Å; P422-Y449 HydrophobicContact CB-CD2 4.11Å; P422-Y449 HydrophobicContact CB-CE1 3.86Å; P422-Y449 HydrophobicContact CB-CE2 3.65Å; P422-Y449 HydrophobicContact CB-CG 4.4Å; P422-W494 HydrophobicContact CG-CG 4.27Å; P422-Y541 HydrophobicContact CB-CE2 4.16Å; P422-Y541 HydrophobicContact CG-CD2 4.49Å; P422-Y541 HydrophobicContact CG-CE2 3.54Å; P422-Y541 WeakPolarHBondContact CG-OH 3.44Å |
| 423 | E | 80.3 | Confident | 85.2 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | trans | -136.3 | 138.3 | -174.6 | -68.3 | 174.7 | 176.9 | 0 | 0 | 109.5 | K421 K585 | K421-E423 WeakPolarHBondContact CD-O 2.95Å; K421-E423 WeakPolarHBondContact CE-O 3.1Å; K421-E423 WeakPolarHBondContact CG-O 3.38Å; K421-E423 PolarHBondContact NZ-O 2.67Å; E423-K585 WeakPolarHBondContact OE1-CE 3.23Å; E423-K585 IonicContact OE1-NZ 3Å; E423-K585 PolarHBondContact OE1-NZ 3.45Å; E423-K585 IonicContact OE2-NZ 3.97Å; E423-K585 PolarHBondContact OE2-NZ 3.02Å | ||
| 424 | E | 74.3 | Confident | 84.2 | Confident | 75 Ų | 75 | 50 Ų | 50 | 35% | 0.35 | 27% | 0.265 | S | S | . | . | trans | -112.5 | 124.8 | 177.7 | -172.2 | 167.8 | -156.6 | 0 | 0 | 109.3 | M440 T443 I446 | E424-M440 HydrophobicContact CB-CB 4.2Å; E424-M440 HydrophobicContact CB-CG 4.44Å; E424-M440 HydrophobicContact CG-CB 4.35Å; E424-M440 HydrophobicContact CG-CG 4.09Å; E424-M440 PolarHBondContact O-N 3.5Å; E424-T443 WeakPolarHBondContact OE2-CB 3.13Å; E424-T443 WeakPolarHBondContact OE2-CG2 3.48Å; E424-T443 PolarHBondContact OE2-OG1 3.41Å; E424-I446 HydrophobicContact CB-CD1 4.31Å; E424-I446 HydrophobicContact CB-CG1 4.4Å | ||
| 425 | V | 75.1 | Confident | 83.4 | Confident | 44 Ų | 44 | 53.9 Ų | 53.9 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 124.4 | -176.9 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | R437 E438 F439 | V425-R437 HydrophobicContact CG1-CB 4.07Å; V425-R437 HydrophobicContact CG1-CG 4.4Å; V425-E438 WeakPolarHBondContact CA-O 3.31Å; V425-F439 HydrophobicContact CG2-CD1 3.58Å; V425-F439 HydrophobicContact CG2-CE1 3.44Å; V425-F439 VanDerWaalsContact CG2-CE1 3.44Å; V425-F439 HydrophobicContact CG2-CG 4.3Å; V425-F439 HydrophobicContact CG2-CZ 4.05Å |
| 426 | L | 73.9 | Confident | 82.5 | Confident | 95 Ų | 95 | 55.7 Ų | 55.7 | 50% | 0.497 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 144.8 | 175.8 | -169.7 | 66.6 | 0 | 0 | 0 | 109.5 | V428 E438 M440 | L426-V428 HydrophobicContact CB-CG2 4.12Å; L426-V428 HydrophobicContact CD2-CG2 3.67Å; L426-V428 HydrophobicContact CG-CG2 3.81Å; L426-E438 PolarHBondContact N-O 3.17Å; L426-E438 PolarHBondContact O-N 3.32Å; L426-M440 HydrophobicContact CB-CG 4.49Å; L426-M440 HydrophobicContact CB-SD 4.4Å; L426-M440 HydrophobicContact CD2-SD 4.5Å |
| 427 | V | 76.9 | Confident | 81.6 | Confident | 99 Ų | 99 | 59.1 Ų | 59.1 | 60% | 0.6 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 112.1 | 171.1 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | V435 | V427-V435 HydrophobicContact CG1-CG1 3.17Å |
| 428 | V | 78.1 | Confident | 80.8 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 26% | 0.255 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 135.6 | -174.1 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | L426 V436 E438 | L426-V428 HydrophobicContact CB-CG2 4.12Å; L426-V428 HydrophobicContact CD2-CG2 3.67Å; L426-V428 HydrophobicContact CG-CG2 3.81Å; V428-V436 PolarHBondContact N-O 3.13Å; V428-V436 WeakPolarHBondContact O-CG2 3.49Å; V428-V436 PolarHBondContact O-N 2.99Å; V428-E438 HydrophobicContact CG2-CB 4.19Å |
| 429 | E | 80.1 | Confident | 79.9 | Confident | 128 Ų | 128 | 63.9 Ų | 63.9 | 60% | 0.598 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.6 | 167.4 | -172.2 | 179.1 | 166.5 | 0 | 0 | 108.5 | G433 E434 | E429-G433 VanDerWaalsContact OE1-CA 3.26Å; E429-G433 WeakPolarHBondContact OE1-CA 3.37Å; E429-E434 WeakPolarHBondContact CA-O 3.34Å |
| 430 | N | 77.9 | Confident | 78.9 | Confident | 39 Ų | 39 | 67 Ų | 67 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | trans | -74.9 | 172.7 | 176.1 | 69.6 | 11.6 | 0 | 0 | 0 | 111.7 | Q432 G433 E434 | N430-Q432 PolarHBondContact ND2-OE1 3.19Å; N430-Q432 PolarHBondContact O-N 2.95Å; N430-Q432 WeakPolarHBondContact OD1-CA 3.32Å; N430-Q432 WeakPolarHBondContact OD1-CB 3.33Å; N430-Q432 PolarHBondContact OD1-N 3.48Å; N430-Q432 VanDerWaalsContact OD1-N 3.11Å; N430-G433 PolarHBondContact O-N 3.07Å; N430-G433 PolarHBondContact OD1-N 3.5Å; N430-E434 PolarHBondContact N-O 3.23Å; N430-E434 PolarHBondContact ND2-OE2 3.46Å; N430-E434 WeakPolarHBondContact OD1-CB 3.43Å; N430-E434 PolarHBondContact OD1-N 3.01Å; N430-E434 PolarHBondContact OD1-O 3.37Å | ||
| 431 | D | 73.2 | Confident | 77.9 | Confident | 117 Ų | 117 | 74.7 Ų | 74.7 | 63% | 0.626 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -14.8 | -178 | -40.1 | -45.8 | 0 | 0 | 0 | 113.8 | R748 | D431-R748 IonicContact OD2-NH1 3.31Å; D431-R748 PolarHBondContact OD2-NH1 2.92Å |
| 432 | Q | 73.9 | Confident | 76.9 | Confident | 27 Ų | 27 | 75.5 Ų | 75.5 | 13% | 0.126 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -3.7 | 177.8 | -62.5 | 73.4 | 53.7 | 0 | 0 | 113 | N430 E434 R741 T745 | N430-Q432 PolarHBondContact ND2-OE1 3.19Å; N430-Q432 PolarHBondContact O-N 2.95Å; N430-Q432 WeakPolarHBondContact OD1-CA 3.32Å; N430-Q432 WeakPolarHBondContact OD1-CB 3.33Å; N430-Q432 PolarHBondContact OD1-N 3.48Å; N430-Q432 VanDerWaalsContact OD1-N 3.11Å; Q432-E434 HydrophobicContact CB-CG 4.36Å; Q432-R741 WeakPolarHBondContact O-CD 3.21Å; Q432-T745 WeakPolarHBondContact CG-OG1 3.22Å |
| 433 | G | 74 | Confident | 76.8 | Confident | 29 Ų | 29 | 76 Ų | 76 | 30% | 0.299 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 80.1 | 16.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E429 N430 | E429-G433 VanDerWaalsContact OE1-CA 3.26Å; E429-G433 WeakPolarHBondContact OE1-CA 3.37Å; N430-G433 PolarHBondContact O-N 3.07Å; N430-G433 PolarHBondContact OD1-N 3.5Å |
| 434 | E | 77.4 | Confident | 76.9 | Confident | 57 Ų | 57 | 77.1 Ų | 77.1 | 27% | 0.266 | 40% | 0.399 | S | S | . | . | trans | -90.9 | 128 | 174.2 | -53.8 | 174 | 131.1 | 0 | 0 | 109.9 | E429 N430 Q432 V436 K688 | E429-E434 WeakPolarHBondContact CA-O 3.34Å; N430-E434 PolarHBondContact N-O 3.23Å; N430-E434 PolarHBondContact ND2-OE2 3.46Å; N430-E434 WeakPolarHBondContact OD1-CB 3.43Å; N430-E434 PolarHBondContact OD1-N 3.01Å; N430-E434 PolarHBondContact OD1-O 3.37Å; Q432-E434 HydrophobicContact CB-CG 4.36Å; E434-V436 HydrophobicContact CB-CG1 4.46Å; E434-V436 PolarHBondContact O-N 3.15Å; E434-K688 IonicContact OE1-NZ 2.59Å; E434-K688 PolarHBondContact OE1-NZ 3.04Å; E434-K688 IonicContact OE2-NZ 2.79Å; E434-K688 PolarHBondContact OE2-NZ 3.42Å | ||
| 435 | V | 80.3 | Confident | 77.4 | Confident | 85 Ų | 85 | 75.7 Ų | 75.7 | 52% | 0.515 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 106.1 | 176.8 | 180 | 0 | 0 | 0 | 0 | 108.9 | V427 Q623 | V427-V435 HydrophobicContact CG1-CG1 3.17Å; V435-Q623 PolarHBondContact O-NE2 2.87Å |
| 436 | V | 79.8 | Confident | 77.9 | Confident | 38 Ų | 38 | 74.4 Ų | 74.4 | 23% | 0.23 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 148.2 | -178.2 | -64.2 | 0 | 0 | 0 | 0 | 112.2 | V428 E434 | V428-V436 PolarHBondContact N-O 3.13Å; V428-V436 WeakPolarHBondContact O-CG2 3.49Å; V428-V436 PolarHBondContact O-N 2.99Å; E434-V436 HydrophobicContact CB-CG1 4.46Å; E434-V436 PolarHBondContact O-N 3.15Å |
| 437 | R | 80.3 | Confident | 78.3 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 28% | 0.275 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 115.9 | 168.8 | -69.4 | 177.4 | 62.2 | -142.5 | -6.3 | 109.7 | V425 D577 D581 | V425-R437 HydrophobicContact CG1-CB 4.07Å; V425-R437 HydrophobicContact CG1-CG 4.4Å; R437-D577 IonicContact CZ-OD1 3.27Å; R437-D577 IonicContact CZ-OD2 3.85Å; R437-D577 IonicContact NE-OD2 2.62Å; R437-D577 IonicContact NH1-OD1 2.76Å; R437-D577 PolarHBondContact NH1-OD1 2.84Å; R437-D577 IonicContact NH1-OD2 3.52Å; R437-D581 IonicContact CZ-OD2 2.87Å; R437-D581 IonicContact NH1-OD2 3.32Å; R437-D581 PolarHBondContact NH1-OD2 2.9Å; R437-D581 IonicContact NH2-OD2 3.91Å; R437-D581 PolarHBondContact NH2-OD2 3.08Å |
| 438 | E | 78.6 | Confident | 78.9 | Confident | 101 Ų | 101 | 70 Ų | 70 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127.8 | 175.4 | -171.1 | 167.4 | -175.4 | 0 | 0 | 110.6 | V425 L426 V428 | V425-E438 WeakPolarHBondContact CA-O 3.31Å; L426-E438 PolarHBondContact N-O 3.17Å; L426-E438 PolarHBondContact O-N 3.32Å; V428-E438 HydrophobicContact CG2-CB 4.19Å |
| 439 | F | 78.8 | Confident | 79.6 | Confident | 83 Ų | 83 | 69 Ų | 69 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 114.2 | 171.6 | -72 | -95.6 | 0 | 0 | 0 | 108.2 | V425 | V425-F439 HydrophobicContact CG2-CD1 3.58Å; V425-F439 HydrophobicContact CG2-CE1 3.44Å; V425-F439 VanDerWaalsContact CG2-CE1 3.44Å; V425-F439 HydrophobicContact CG2-CG 4.3Å; V425-F439 HydrophobicContact CG2-CZ 4.05Å |
| 440 | M | 76 | Confident | 79.9 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 33% | 0.33 | 35% | 0.346 | S | S | . | . | trans | -64.9 | 139.1 | 177.2 | -59.8 | -65.6 | -72.5 | 0 | 0 | 109.3 | E424 L426 T443 I446 | E424-M440 HydrophobicContact CB-CB 4.2Å; E424-M440 HydrophobicContact CB-CG 4.44Å; E424-M440 HydrophobicContact CG-CB 4.35Å; E424-M440 HydrophobicContact CG-CG 4.09Å; E424-M440 PolarHBondContact O-N 3.5Å; L426-M440 HydrophobicContact CB-CG 4.49Å; L426-M440 HydrophobicContact CB-SD 4.4Å; L426-M440 HydrophobicContact CD2-SD 4.5Å; M440-T443 HydrophobicContact CB-CG2 3.64Å; M440-T443 HydrophobicContact CE-CG2 3.82Å; M440-T443 HydrophobicContact CG-CG2 4.27Å; M440-I446 HydrophobicContact CB-CD1 4.45Å; M440-I446 WeakPolarHBondContact O-CD1 3.28Å | ||
| 441 | K | 71.6 | Confident | 80.4 | Confident | 180 Ų | 180 | 67.9 Ų | 67.9 | 78% | 0.783 | 35% | 0.35 | S | S | * | . | trans | -114.2 | 133.5 | 173.3 | -66.4 | -179.4 | -177.7 | 174.2 | 0 | 108.5 | T443 | K441-T443 PolarHBondContact O-N 2.62Š| ||
| 442 | D | 70.3 | Confident | 81.5 | Confident | 127 Ų | 127 | 62.3 Ų | 62.3 | 68% | 0.679 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 57.7 | 46.7 | 173 | -56 | -47 | 0 | 0 | 0 | 114.8 | K450 | D442-K450 IonicContact OD1-NZ 2.73Å; D442-K450 PolarHBondContact OD1-NZ 3.14Å |
| 443 | T | 83 | Confident | 82.4 | Confident | 26 Ų | 26 | 66.3 Ų | 66.3 | 16% | 0.16 | 33% | 0.334 | C | S | . | . | trans | -82.2 | 160 | 165 | 63.7 | 0 | 0 | 0 | 0 | 111 | E424 M440 K441 A445 I446 N447 | E424-T443 WeakPolarHBondContact OE2-CB 3.13Å; E424-T443 WeakPolarHBondContact OE2-CG2 3.48Å; E424-T443 PolarHBondContact OE2-OG1 3.41Å; M440-T443 HydrophobicContact CB-CG2 3.64Å; M440-T443 HydrophobicContact CE-CG2 3.82Å; M440-T443 HydrophobicContact CG-CG2 4.27Å; K441-T443 PolarHBondContact O-N 2.62Å; T443-A445 VanDerWaalsContact C-N 3.26Å; T443-A445 PolarHBondContact O-N 2.97Å; T443-I446 PolarHBondContact O-N 3.17Å; T443-I446 VanDerWaalsContact O-N 3.11Å; T443-I446 WeakPolarHBondContact OG1-CD1 3.32Å; T443-I446 WeakPolarHBondContact OG1-CG1 3.42Å; T443-I446 PolarHBondContact OG1-N 3.43Å; T443-N447 PolarHBondContact O-N 2.9Å | ||
| 444 | D | 81.4 | Confident | 83.2 | Confident | 88 Ų | 88 | 68.7 Ų | 68.7 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.9 | -36.6 | 175.1 | 175.5 | 68.6 | 0 | 0 | 0 | 112.7 | K367 I446 N447 L448 | K367-D444 WeakPolarHBondContact CE-OD1 3.31Å; K367-D444 VanDerWaalsContact CE-OD2 3.23Å; K367-D444 WeakPolarHBondContact CE-OD2 3.42Å; K367-D444 IonicContact NZ-OD1 3.64Å; K367-D444 PolarHBondContact NZ-OD1 3.45Å; K367-D444 IonicContact NZ-OD2 2.87Å; K367-D444 PolarHBondContact NZ-OD2 3.39Å; D444-I446 PolarHBondContact O-N 2.79Å; D444-N447 PolarHBondContact O-N 3.03Å; D444-L448 PolarHBondContact O-N 3.38Å |
| 445 | A | 85.3 | Confident | 84 | Confident | 44 Ų | 44 | 66 Ų | 66 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T443 L448 Y449 | T443-A445 VanDerWaalsContact C-N 3.26Å; T443-A445 PolarHBondContact O-N 2.97Å; A445-L448 WeakPolarHBondContact O-CB 3.42Å; A445-L448 PolarHBondContact O-N 2.8Å; A445-Y449 PolarHBondContact O-N 2.97Å; A445-Y449 VanDerWaalsContact O-N 3.07Å |
| 446 | I | 84.9 | Confident | 84.8 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.7 | -38.5 | 174.8 | -68.7 | 168.5 | 0 | 0 | 0 | 110.5 | E424 M440 T443 D444 L448 Y449 K450 | E424-I446 HydrophobicContact CB-CD1 4.31Å; E424-I446 HydrophobicContact CB-CG1 4.4Å; M440-I446 HydrophobicContact CB-CD1 4.45Å; M440-I446 WeakPolarHBondContact O-CD1 3.28Å; T443-I446 PolarHBondContact O-N 3.17Å; T443-I446 VanDerWaalsContact O-N 3.11Å; T443-I446 WeakPolarHBondContact OG1-CD1 3.32Å; T443-I446 WeakPolarHBondContact OG1-CG1 3.42Å; T443-I446 PolarHBondContact OG1-N 3.43Å; D444-I446 PolarHBondContact O-N 2.79Å; I446-L448 VanDerWaalsContact C-N 3.35Å; I446-Y449 PolarHBondContact O-N 3.34Å; I446-K450 HydrophobicContact CG2-CD 4.35Å; I446-K450 HydrophobicContact CG2-CG 4.49Å; I446-K450 WeakPolarHBondContact O-CG 3.34Å; I446-K450 PolarHBondContact O-N 3.44Å |
| 447 | N | 82 | Confident | 85.4 | Confident | 80 Ų | 80 | 61.7 Ų | 61.7 | 43% | 0.428 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 175.9 | -164 | 37 | 0 | 0 | 0 | 111.6 | T443 D444 Y449 K450 N451 | T443-N447 PolarHBondContact O-N 2.9Å; D444-N447 PolarHBondContact O-N 3.03Å; N447-Y449 PolarHBondContact O-N 2.8Å; N447-K450 PolarHBondContact O-N 2.65Å; N447-N451 PolarHBondContact O-N 2.96Å |
| 448 | L | 91 | Very high | 85.9 | Confident | 22 Ų | 22 | 60.5 Ų | 60.5 | 12% | 0.115 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.9 | -48 | 172.3 | 178.2 | 63.9 | 0 | 0 | 0 | 111.4 | T363 F366 K367 L370 A420 D444 A445 I446 K450 N451 M452 | T363-L448 HydrophobicContact CG2-CD2 4.31Å; F366-L448 HydrophobicContact CD1-CD1 3.91Å; F366-L448 HydrophobicContact CE1-CD1 4.05Å; K367-L448 HydrophobicContact CG-CD1 4.04Å; L370-L448 HydrophobicContact CD2-CD1 3.53Å; A420-L448 HydrophobicContact CB-CD2 4.15Å; A420-L448 HydrophobicContact CB-CG 4.1Å; D444-L448 PolarHBondContact O-N 3.38Å; A445-L448 WeakPolarHBondContact O-CB 3.42Å; A445-L448 PolarHBondContact O-N 2.8Å; I446-L448 VanDerWaalsContact C-N 3.35Å; L448-K450 PolarHBondContact O-N 3.23Å; L448-N451 PolarHBondContact O-N 3.32Å; L448-M452 HydrophobicContact CD1-CG 4.37Å; L448-M452 WeakPolarHBondContact O-CG 3.37Å; L448-M452 PolarHBondContact O-N 2.94Å |
| 449 | Y | 91.1 | Very high | 86.7 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 8% | 0.075 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 174.5 | 168.1 | -101.8 | 0 | 0 | 0 | 112.7 | M419 A420 P422 A445 I446 N447 N451 M452 R453 | M419-Y449 HydrophobicContact SD-CD2 3.91Å; M419-Y449 HydrophobicContact SD-CE2 4Å; A420-Y449 WeakPolarHBondContact O-CD2 3.31Å; P422-Y449 HydrophobicContact CB-CD1 4.28Å; P422-Y449 HydrophobicContact CB-CD2 4.11Å; P422-Y449 HydrophobicContact CB-CE1 3.86Å; P422-Y449 HydrophobicContact CB-CE2 3.65Å; P422-Y449 HydrophobicContact CB-CG 4.4Å; A445-Y449 PolarHBondContact O-N 2.97Å; A445-Y449 VanDerWaalsContact O-N 3.07Å; I446-Y449 PolarHBondContact O-N 3.34Å; N447-Y449 PolarHBondContact O-N 2.8Å; Y449-N451 VanDerWaalsContact C-N 3.33Å; Y449-N451 PolarHBondContact O-N 3Å; Y449-M452 PolarHBondContact O-N 2.9Å; Y449-R453 VanDerWaalsContact O-CB 3.24Å; Y449-R453 WeakPolarHBondContact O-CB 3.49Å; Y449-R453 PolarHBondContact O-N 3.49Å |
| 450 | K | 86.9 | Confident | 87.4 | Confident | 89 Ų | 89 | 51.9 Ų | 51.9 | 39% | 0.387 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.1 | -46.7 | 177.8 | -73.5 | 173.3 | -177.2 | 170.7 | 0 | 110.9 | D442 I446 N447 L448 R453 E454 | D442-K450 IonicContact OD1-NZ 2.73Å; D442-K450 PolarHBondContact OD1-NZ 3.14Å; I446-K450 HydrophobicContact CG2-CD 4.35Å; I446-K450 HydrophobicContact CG2-CG 4.49Å; I446-K450 WeakPolarHBondContact O-CG 3.34Å; I446-K450 PolarHBondContact O-N 3.44Å; N447-K450 PolarHBondContact O-N 2.65Å; L448-K450 PolarHBondContact O-N 3.23Å; K450-R453 PolarHBondContact O-N 2.96Å; K450-E454 WeakPolarHBondContact O-CB 3.32Å; K450-E454 PolarHBondContact O-N 3.46Å |
| 451 | N | 88.1 | Confident | 88 | Confident | 56 Ų | 56 | 51.3 Ų | 51.3 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 178.8 | -70.5 | -15.4 | 0 | 0 | 0 | 112.4 | L370 N447 L448 Y449 R453 E454 T455 | L370-N451 HydrophobicContact CD2-CB 3.65Å; L370-N451 HydrophobicContact CG-CB 4.21Å; N447-N451 PolarHBondContact O-N 2.96Å; L448-N451 PolarHBondContact O-N 3.32Å; Y449-N451 VanDerWaalsContact C-N 3.33Å; Y449-N451 PolarHBondContact O-N 3Å; N451-R453 PolarHBondContact O-N 3.21Å; N451-E454 PolarHBondContact O-N 2.92Å; N451-T455 PolarHBondContact O-N 3.47Å; N451-T455 PolarHBondContact O-OG1 3.37Å |
| 452 | M | 96.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 176.1 | -69.9 | -168.4 | 76.7 | 0 | 0 | 112.1 | F366 L370 M415 R418 M419 A420 L448 Y449 L456 | F366-M452 HydrophobicContact CE1-CE 3.9Å; F366-M452 HydrophobicContact CE1-CG 4.12Å; F366-M452 HydrophobicContact CE1-SD 3.67Å; F366-M452 HydrophobicContact CZ-CE 3.68Å; F366-M452 HydrophobicContact CZ-SD 4.11Å; L370-M452 HydrophobicContact CD1-CG 4.09Å; L370-M452 HydrophobicContact CD2-CG 3.55Å; L370-M452 HydrophobicContact CG-CG 4.48Å; M415-M452 HydrophobicContact SD-CB 4.39Å; M415-M452 HydrophobicContact SD-CE 4.01Å; M415-M452 HydrophobicContact SD-CG 4.41Å; R418-M452 VanDerWaalsContact C-CE 3.49Å; R418-M452 HydrophobicContact CB-CE 4.16Å; R418-M452 WeakPolarHBondContact O-CE 3.42Å; M419-M452 HydrophobicContact CE-CB 4.15Å; M419-M452 HydrophobicContact SD-CB 3.89Å; A420-M452 HydrophobicContact CB-SD 3.99Å; A420-M452 PolarHBondContact N-SD 3.1Å; A420-M452 VanDerWaalsContact N-SD 3.45Å; L448-M452 HydrophobicContact CD1-CG 4.37Å; L448-M452 WeakPolarHBondContact O-CG 3.37Å; L448-M452 PolarHBondContact O-N 2.94Å; Y449-M452 PolarHBondContact O-N 2.9Å; M452-L456 WeakPolarHBondContact O-CB 3.29Å; M452-L456 PolarHBondContact O-N 2.91Å |
| 453 | R | 93.6 | Very high | 90 | Very high | 111 Ų | 111 | 38.8 Ų | 38.8 | 42% | 0.419 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.4 | -49.4 | 175.4 | 170.8 | 171.9 | 173.7 | -121.6 | -5.4 | 110.8 | Y449 K450 N451 T455 L456 V457 S498 | Y449-R453 VanDerWaalsContact O-CB 3.24Å; Y449-R453 WeakPolarHBondContact O-CB 3.49Å; Y449-R453 PolarHBondContact O-N 3.49Å; K450-R453 PolarHBondContact O-N 2.96Å; N451-R453 PolarHBondContact O-N 3.21Å; R453-T455 PolarHBondContact O-N 3.33Å; R453-L456 PolarHBondContact O-N 3.46Å; R453-V457 HydrophobicContact CG-CG2 4.26Å; R453-V457 WeakPolarHBondContact O-CB 3.41Å; R453-V457 WeakPolarHBondContact O-CG2 3.29Å; R453-V457 PolarHBondContact O-N 3.01Å; R453-S498 WeakPolarHBondContact CD-O 3.28Å; R453-S498 WeakPolarHBondContact CG-O 3.45Å; R453-S498 PolarHBondContact NE-O 3Å |
| 454 | E | 90.2 | Very high | 90.4 | Very high | 78 Ų | 78 | 41.1 Ų | 41.1 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 179.4 | -178.8 | 174.1 | -177.4 | 0 | 0 | 111.5 | K450 N451 L456 V457 Y458 | K450-E454 WeakPolarHBondContact O-CB 3.32Å; K450-E454 PolarHBondContact O-N 3.46Å; N451-E454 PolarHBondContact O-N 2.92Å; E454-L456 PolarHBondContact O-N 3.45Å; E454-V457 PolarHBondContact O-N 3.12Å; E454-Y458 HydrophobicContact CG-CD2 3.97Å; E454-Y458 HydrophobicContact CG-CE2 3.35Å; E454-Y458 VanDerWaalsContact O-CD2 3.32Å; E454-Y458 WeakPolarHBondContact O-CD2 3.41Å; E454-Y458 PolarHBondContact O-N 3.33Å; E454-Y458 VanDerWaalsContact OE1-CE2 3.3Å; E454-Y458 WeakPolarHBondContact OE1-CE2 3.32Å; E454-Y458 PolarHBondContact OE1-OH 3.14Å |
| 455 | T | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.5 | -48.9 | 176.1 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | W373 N374 A377 M415 N451 R453 V457 Y458 L459 | W373-T455 HydrophobicContact CB-CG2 4.17Å; N374-T455 VanDerWaalsContact CA-OG1 3.27Å; N374-T455 WeakPolarHBondContact CA-OG1 3.34Å; N374-T455 VanDerWaalsContact CB-OG1 3.23Å; N374-T455 WeakPolarHBondContact CB-OG1 3.46Å; N374-T455 PolarHBondContact ND2-OG1 3.33Å; A377-T455 HydrophobicContact CB-CG2 4.2Å; M415-T455 HydrophobicContact CG-CG2 4.13Å; M415-T455 HydrophobicContact SD-CG2 3.99Å; N451-T455 PolarHBondContact O-N 3.47Å; N451-T455 PolarHBondContact O-OG1 3.37Å; R453-T455 PolarHBondContact O-N 3.33Å; T455-V457 PolarHBondContact O-N 3.02Å; T455-Y458 PolarHBondContact O-N 2.89Å; T455-L459 HydrophobicContact CG2-CD1 4.11Å; T455-L459 VanDerWaalsContact O-CG 3.28Å; T455-L459 WeakPolarHBondContact O-CG 3.37Å; T455-L459 PolarHBondContact O-N 3.43Å |
| 456 | L | 97.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | 179.9 | -174.9 | 57.4 | 0 | 0 | 0 | 111.6 | M415 V416 M419 M452 R453 E454 L459 T460 T467 M471 A495 I499 | M415-L456 HydrophobicContact CB-CB 4.08Å; M415-L456 HydrophobicContact CB-CD1 4.01Å; M415-L456 HydrophobicContact CB-CD2 4.41Å; M415-L456 HydrophobicContact CB-CG 4.38Å; M415-L456 HydrophobicContact CG-CB 4.39Å; V416-L456 HydrophobicContact CG2-CD1 4.23Å; V416-L456 HydrophobicContact CG2-CD2 4.14Å; M419-L456 HydrophobicContact CE-CB 4.45Å; M419-L456 HydrophobicContact CE-CD2 3.71Å; M452-L456 WeakPolarHBondContact O-CB 3.29Å; M452-L456 PolarHBondContact O-N 2.91Å; R453-L456 PolarHBondContact O-N 3.46Å; E454-L456 PolarHBondContact O-N 3.45Å; L456-L459 PolarHBondContact O-N 3.33Å; L456-T460 WeakPolarHBondContact O-CB 3.38Å; L456-T460 PolarHBondContact O-N 2.65Å; L456-T460 PolarHBondContact O-OG1 3.03Å; L456-T467 HydrophobicContact CD1-CG2 4.49Å; L456-M471 HydrophobicContact CD2-CE 3.95Å; L456-A495 HydrophobicContact CD2-CB 4.2Å; L456-I499 HydrophobicContact CB-CG2 4.43Å; L456-I499 HydrophobicContact CD2-CG2 3.63Å; L456-I499 HydrophobicContact CG-CG2 3.57Å |
| 457 | V | 92.4 | Very high | 92.2 | Very high | 33 Ų | 33 | 37.4 Ų | 37.4 | 20% | 0.2 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 176.3 | 167.1 | 0 | 0 | 0 | 0 | 111.4 | R453 E454 T455 T460 H461 A502 | R453-V457 HydrophobicContact CG-CG2 4.26Å; R453-V457 WeakPolarHBondContact O-CB 3.41Å; R453-V457 WeakPolarHBondContact O-CG2 3.29Å; R453-V457 PolarHBondContact O-N 3.01Å; E454-V457 PolarHBondContact O-N 3.12Å; T455-V457 PolarHBondContact O-N 3.02Å; V457-T460 PolarHBondContact O-N 3.18Å; V457-H461 PolarHBondContact O-N 3.49Å; V457-H461 VanDerWaalsContact O-N 3.13Å; V457-H461 PolarHBondContact O-ND1 3.23Å; V457-A502 HydrophobicContact CG1-CB 4.27Å |
| 458 | Y | 90.2 | Very high | 92.9 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 19% | 0.192 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.4 | -51.9 | 173.8 | -71.5 | -47.8 | 0 | 0 | 0 | 110.4 | A377 A378 Y381 E454 T455 T460 H461 L462 | A377-Y458 HydrophobicContact CB-CD2 4.3Å; A378-Y458 HydrophobicContact CB-CD2 4.1Å; A378-Y458 HydrophobicContact CB-CE2 3.71Å; Y381-Y458 AromaticContact CD1-CD1 3.68Å; Y381-Y458 HydrophobicContact CD1-CD1 3.68Å; Y381-Y458 AromaticContact CD1-CE1 3.72Å; Y381-Y458 HydrophobicContact CD1-CE1 3.72Å; Y381-Y458 AromaticContact CD2-CD1 3.98Å; Y381-Y458 HydrophobicContact CD2-CD1 3.98Å; Y381-Y458 HydrophobicContact CE1-CD1 4.25Å; Y381-Y458 HydrophobicContact CE1-CE1 4.15Å; Y381-Y458 AromaticContact CG-CD1 3.52Å; Y381-Y458 HydrophobicContact CG-CD1 3.52Å; Y381-Y458 HydrophobicContact CG-CE1 4.07Å; Y381-Y458 HydrophobicContact CG-CG 4.44Å; E454-Y458 HydrophobicContact CG-CD2 3.97Å; E454-Y458 HydrophobicContact CG-CE2 3.35Å; E454-Y458 VanDerWaalsContact O-CD2 3.32Å; E454-Y458 WeakPolarHBondContact O-CD2 3.41Å; E454-Y458 PolarHBondContact O-N 3.33Å; E454-Y458 VanDerWaalsContact OE1-CE2 3.3Å; E454-Y458 WeakPolarHBondContact OE1-CE2 3.32Å; E454-Y458 PolarHBondContact OE1-OH 3.14Å; T455-Y458 PolarHBondContact O-N 2.89Å; Y458-T460 VanDerWaalsContact C-N 3.25Å; Y458-T460 PolarHBondContact O-N 3.41Å; Y458-H461 PolarHBondContact O-N 3.34Å; Y458-L462 WeakPolarHBondContact O-CG 3.38Å; Y458-L462 PolarHBondContact O-N 3.26Å; Y458-L462 VanDerWaalsContact O-N 3.12Å |
| 459 | L | 95.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.8 | -32.3 | -179.1 | -65.5 | 173.3 | 0 | 0 | 0 | 113.2 | A377 L408 V411 R412 T455 L456 L462 D463 | A377-L459 HydrophobicContact CB-CD2 3.97Å; A377-L459 HydrophobicContact CB-CG 4.06Å; L408-L459 HydrophobicContact CD2-CD2 3.78Å; V411-L459 HydrophobicContact CB-CD1 4.13Å; V411-L459 HydrophobicContact CG1-CD1 3.69Å; R412-L459 HydrophobicContact CG-CB 3.71Å; R412-L459 HydrophobicContact CG-CD1 3.93Å; R412-L459 HydrophobicContact CG-CG 4.35Å; R412-L459 PolarHBondContact NE-O 2.85Å; R412-L459 PolarHBondContact NH2-O 3.34Å; T455-L459 HydrophobicContact CG2-CD1 4.11Å; T455-L459 VanDerWaalsContact O-CG 3.28Å; T455-L459 WeakPolarHBondContact O-CG 3.37Å; T455-L459 PolarHBondContact O-N 3.43Å; L456-L459 PolarHBondContact O-N 3.33Å; L459-L462 HydrophobicContact CD2-CD1 4.24Å; L459-L462 PolarHBondContact O-N 3.43Å; L459-D463 PolarHBondContact O-N 3.29Å; L459-D463 VanDerWaalsContact O-N 3.17Å |
| 460 | T | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.7 | -38.5 | 174.1 | -57.6 | 0 | 0 | 0 | 0 | 112 | L456 V457 Y458 L462 D463 Y464 T467 A502 M503 | L456-T460 WeakPolarHBondContact O-CB 3.38Å; L456-T460 PolarHBondContact O-N 2.65Å; L456-T460 PolarHBondContact O-OG1 3.03Å; V457-T460 PolarHBondContact O-N 3.18Å; Y458-T460 VanDerWaalsContact C-N 3.25Å; Y458-T460 PolarHBondContact O-N 3.41Å; T460-L462 VanDerWaalsContact C-N 3.33Å; T460-L462 PolarHBondContact O-N 3.47Å; T460-D463 CarbonylContact O-C 3.56Å; T460-D463 PolarHBondContact O-N 3.23Å; T460-Y464 WeakPolarHBondContact O-CA 3.5Å; T460-Y464 WeakPolarHBondContact O-CB 3.49Å; T460-Y464 PolarHBondContact O-N 2.97Å; T460-T467 WeakPolarHBondContact CA-OG1 3.34Å; T460-T467 HydrophobicContact CG2-CG2 4.19Å; T460-T467 WeakPolarHBondContact OG1-CG2 3.24Å; T460-T467 PolarHBondContact OG1-OG1 2.9Å; T460-A502 HydrophobicContact CG2-CB 3.92Å; T460-M503 HydrophobicContact CG2-CE 4.35Å; T460-M503 HydrophobicContact CG2-CG 4.41Å |
| 461 | H | 87.1 | Confident | 94.1 | Very high | 55 Ų | 55 | 35 Ų | 35 | 26% | 0.255 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -67.6 | -35.1 | 174.2 | -72.2 | 86.6 | 0 | 0 | 0 | 112.4 | Y381 S387 V457 Y458 D463 | Y381-H461 HydrophobicContact CD2-CB 3.87Å; Y381-H461 HydrophobicContact CE2-CB 3.5Å; Y381-H461 AromaticContact CE2-CG 3.7Å; S387-H461 PolarHBondContact N-O 3.23Å; S387-H461 PolarHBondContact OG-O 2.91Å; V457-H461 PolarHBondContact O-N 3.49Å; V457-H461 VanDerWaalsContact O-N 3.13Å; V457-H461 PolarHBondContact O-ND1 3.23Å; Y458-H461 PolarHBondContact O-N 3.34Å; H461-D463 VanDerWaalsContact C-N 3.32Å; H461-D463 PolarHBondContact O-N 3.46Å |
| 462 | L | 89.6 | Confident | 94.6 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.1 | -33.5 | 177.5 | -55.5 | -178.7 | 0 | 0 | 0 | 112.5 | L380 Y381 R401 L408 Y458 L459 T460 | L380-L462 HydrophobicContact CB-CD1 3.9Å; Y381-L462 HydrophobicContact CD2-CD2 4.31Å; R401-L462 VanDerWaalsContact NH2-CD2 3.34Å; L408-L462 HydrophobicContact CD1-CD1 4.45Å; Y458-L462 WeakPolarHBondContact O-CG 3.38Å; Y458-L462 PolarHBondContact O-N 3.26Å; Y458-L462 VanDerWaalsContact O-N 3.12Å; L459-L462 HydrophobicContact CD2-CD1 4.24Å; L459-L462 PolarHBondContact O-N 3.43Å; T460-L462 VanDerWaalsContact C-N 3.33Å; T460-L462 PolarHBondContact O-N 3.47Å |
| 463 | D | 94.3 | Very high | 94.6 | Very high | 41 Ų | 41 | 39.5 Ų | 39.5 | 22% | 0.219 | 19% | 0.187 | C | C | . | . | trans | -161.6 | 96.6 | 174.4 | -167.1 | -25.5 | 0 | 0 | 0 | 110.5 | R412 L459 T460 H461 A465 D466 T467 | R412-D463 VanDerWaalsContact NH2-CB 3.29Å; L459-D463 PolarHBondContact O-N 3.29Å; L459-D463 VanDerWaalsContact O-N 3.17Å; T460-D463 CarbonylContact O-C 3.56Å; T460-D463 PolarHBondContact O-N 3.23Å; H461-D463 VanDerWaalsContact C-N 3.32Å; H461-D463 PolarHBondContact O-N 3.46Å; D463-A465 VanDerWaalsContact C-N 3.35Å; D463-A465 PolarHBondContact OD1-N 3.31Å; D463-D466 HydrophobicContact CB-CB 4.24Å; D463-D466 PolarHBondContact OD1-N 3.18Å; D463-T467 PolarHBondContact O-N 3.4Å; D463-T467 PolarHBondContact O-OG1 3.32Å; D463-T467 VanDerWaalsContact O-OG1 3.08Å | ||
| 464 | Y | 92.9 | Very high | 94.8 | Very high | 75 Ų | 75 | 35.7 Ų | 35.7 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -75.2 | -29.4 | -179.1 | 75.4 | -87.9 | 0 | 0 | 0 | 111.6 | T460 T467 E468 D507 | T460-Y464 WeakPolarHBondContact O-CA 3.5Å; T460-Y464 WeakPolarHBondContact O-CB 3.49Å; T460-Y464 PolarHBondContact O-N 2.97Å; Y464-T467 WeakPolarHBondContact O-CB 3.22Å; Y464-T467 PolarHBondContact O-N 3.29Å; Y464-E468 WeakPolarHBondContact O-CB 3.32Å; Y464-E468 PolarHBondContact O-N 2.82Å; Y464-D507 HydrophobicContact CE2-CB 4.24Å |
| 465 | A | 95.1 | Very high | 95.2 | Very high | 52 Ų | 52 | 32.1 Ų | 32.1 | 43% | 0.43 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -67.5 | -41.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.1 | D463 T467 E468 R469 | D463-A465 VanDerWaalsContact C-N 3.35Å; D463-A465 PolarHBondContact OD1-N 3.31Å; A465-T467 VanDerWaalsContact C-N 3.35Å; A465-E468 PolarHBondContact O-N 3.24Å; A465-R469 VanDerWaalsContact O-CB 3.27Å; A465-R469 WeakPolarHBondContact O-CB 3.34Å; A465-R469 PolarHBondContact O-N 3.02Å |
| 466 | D | 96.1 | Very high | 95.3 | Very high | 19 Ų | 19 | 37.3 Ų | 37.3 | 10% | 0.102 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.4 | -38.7 | 173.3 | -171.9 | 44 | 0 | 0 | 0 | 111.8 | S409 R412 D463 R469 I470 | S409-D466 WeakPolarHBondContact CA-OD2 3.41Å; S409-D466 WeakPolarHBondContact CB-OD2 3.25Å; S409-D466 PolarHBondContact OG-OD1 2.86Å; S409-D466 PolarHBondContact OG-OD2 3.42Å; R412-D466 IonicContact CZ-OD2 3.22Å; R412-D466 IonicContact NE-OD2 2.78Å; R412-D466 IonicContact NH1-OD2 3.22Å; R412-D466 PolarHBondContact NH1-OD2 2.87Å; D463-D466 HydrophobicContact CB-CB 4.24Å; D463-D466 PolarHBondContact OD1-N 3.18Å; D466-R469 PolarHBondContact O-N 2.72Å; D466-R469 IonicContact OD1-CZ 3.66Å; D466-R469 IonicContact OD1-NE 3.5Å; D466-R469 PolarHBondContact OD1-NE 3Å; D466-R469 IonicContact OD1-NH2 3.88Å; D466-R469 PolarHBondContact OD1-NH2 3.01Å; D466-I470 VanDerWaalsContact O-CG1 3.27Å; D466-I470 WeakPolarHBondContact O-CG1 3.46Å; D466-I470 PolarHBondContact O-N 3Å |
| 467 | T | 96.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.1 | -49.8 | 175.1 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | R412 L456 T460 D463 Y464 A465 R469 I470 M471 I499 | R412-T467 WeakPolarHBondContact CD-OG1 3.31Å; L456-T467 HydrophobicContact CD1-CG2 4.49Å; T460-T467 WeakPolarHBondContact CA-OG1 3.34Å; T460-T467 HydrophobicContact CG2-CG2 4.19Å; T460-T467 WeakPolarHBondContact OG1-CG2 3.24Å; T460-T467 PolarHBondContact OG1-OG1 2.9Å; D463-T467 PolarHBondContact O-N 3.4Å; D463-T467 PolarHBondContact O-OG1 3.32Å; D463-T467 VanDerWaalsContact O-OG1 3.08Å; Y464-T467 WeakPolarHBondContact O-CB 3.22Å; Y464-T467 PolarHBondContact O-N 3.29Å; A465-T467 VanDerWaalsContact C-N 3.35Å; T467-R469 VanDerWaalsContact C-N 3.33Å; T467-R469 PolarHBondContact O-N 3.2Å; T467-I470 PolarHBondContact O-N 3.32Å; T467-M471 HydrophobicContact CG2-CE 3.92Å; T467-M471 HydrophobicContact CG2-SD 4.24Å; T467-M471 WeakPolarHBondContact O-CG 3.45Å; T467-M471 PolarHBondContact O-N 3.06Å; T467-I499 HydrophobicContact CG2-CD1 4.15Å |
| 468 | E | 97.4 | Very high | 95.5 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 16% | 0.164 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.9 | -44.5 | 177.5 | 178.8 | 176.6 | 168.9 | 0 | 0 | 111.1 | Y464 A465 M471 T472 M503 F511 | Y464-E468 WeakPolarHBondContact O-CB 3.32Å; Y464-E468 PolarHBondContact O-N 2.82Å; A465-E468 PolarHBondContact O-N 3.24Å; E468-M471 PolarHBondContact O-N 3.07Å; E468-T472 VanDerWaalsContact O-CB 3.26Å; E468-T472 WeakPolarHBondContact O-CB 3.45Å; E468-T472 PolarHBondContact O-N 3.46Å; E468-T472 PolarHBondContact O-OG1 3.29Å; E468-M503 HydrophobicContact CB-CE 4.19Å; E468-F511 HydrophobicContact CG-CD2 3.74Å; E468-F511 HydrophobicContact CG-CE2 4.24Å; E468-F511 HydrophobicContact CG-CG 4.48Å |
| 469 | R | 97.6 | Very high | 95.7 | Very high | 116 Ų | 116 | 36.4 Ų | 36.4 | 44% | 0.438 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.2 | -50 | 177.5 | -174.5 | -166.6 | 64.8 | 74.5 | 0.9 | 111.6 | A465 D466 T467 M471 T472 E473 | A465-R469 VanDerWaalsContact O-CB 3.27Å; A465-R469 WeakPolarHBondContact O-CB 3.34Å; A465-R469 PolarHBondContact O-N 3.02Å; D466-R469 PolarHBondContact O-N 2.72Å; D466-R469 IonicContact OD1-CZ 3.66Å; D466-R469 IonicContact OD1-NE 3.5Å; D466-R469 PolarHBondContact OD1-NE 3Å; D466-R469 IonicContact OD1-NH2 3.88Å; D466-R469 PolarHBondContact OD1-NH2 3.01Å; T467-R469 VanDerWaalsContact C-N 3.33Å; T467-R469 PolarHBondContact O-N 3.2Å; R469-M471 PolarHBondContact O-N 3.22Å; R469-T472 PolarHBondContact O-N 3.35Å; R469-E473 IonicContact NH1-OE2 3.6Å; R469-E473 PolarHBondContact NH1-OE2 3.46Å; R469-E473 WeakPolarHBondContact O-CB 3.1Å; R469-E473 PolarHBondContact O-N 2.97Å |
| 470 | I | 98.3 | Very high | 95.7 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.036 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 179.7 | -70.9 | 167 | 0 | 0 | 0 | 111 | R412 L413 V416 D466 T467 T472 E473 K474 | R412-I470 HydrophobicContact CB-CD1 3.67Å; L413-I470 HydrophobicContact CB-CD1 4.46Å; L413-I470 HydrophobicContact CD1-CG2 3.9Å; V416-I470 HydrophobicContact CB-CG2 4.41Å; V416-I470 HydrophobicContact CG1-CG2 4.5Å; V416-I470 HydrophobicContact CG2-CG2 4.3Å; D466-I470 VanDerWaalsContact O-CG1 3.27Å; D466-I470 WeakPolarHBondContact O-CG1 3.46Å; D466-I470 PolarHBondContact O-N 3Å; T467-I470 PolarHBondContact O-N 3.32Å; I470-T472 VanDerWaalsContact C-N 3.35Å; I470-T472 PolarHBondContact O-N 3.32Å; I470-E473 PolarHBondContact O-N 3.24Å; I470-K474 PolarHBondContact O-N 3.46Å |
| 471 | M | 98.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.2 | -39.5 | 179.9 | -70.4 | -176.6 | 175.5 | 0 | 0 | 111.9 | V416 L456 T467 E468 R469 K474 L475 L492 A495 I496 I499 F511 | V416-M471 HydrophobicContact CG1-CG 4.4Å; V416-M471 HydrophobicContact CG2-CE 3.87Å; V416-M471 HydrophobicContact CG2-CG 4.22Å; L456-M471 HydrophobicContact CD2-CE 3.95Å; T467-M471 HydrophobicContact CG2-CE 3.92Å; T467-M471 HydrophobicContact CG2-SD 4.24Å; T467-M471 WeakPolarHBondContact O-CG 3.45Å; T467-M471 PolarHBondContact O-N 3.06Å; E468-M471 PolarHBondContact O-N 3.07Å; R469-M471 PolarHBondContact O-N 3.22Å; M471-K474 PolarHBondContact O-N 3.46Å; M471-L475 WeakPolarHBondContact O-CB 3.24Å; M471-L475 PolarHBondContact O-N 3.34Å; M471-L492 HydrophobicContact CB-CD1 4.4Å; M471-L492 HydrophobicContact CG-CD1 4.49Å; M471-A495 HydrophobicContact CE-CB 4.1Å; M471-A495 WeakPolarHBondContact CE-O 3.37Å; M471-I496 HydrophobicContact CB-CG1 4.39Å; M471-I496 HydrophobicContact CG-CG1 4.32Å; M471-I496 HydrophobicContact SD-CB 4.43Å; M471-I496 HydrophobicContact SD-CG1 3.71Å; M471-I499 HydrophobicContact CE-CD1 3.65Å; M471-I499 HydrophobicContact CE-CG1 4.02Å; M471-I499 HydrophobicContact CE-CG2 4.08Å; M471-I499 HydrophobicContact SD-CD1 3.63Å; M471-I499 HydrophobicContact SD-CG1 4.41Å; M471-F511 HydrophobicContact CB-CE2 4.29Å; M471-F511 HydrophobicContact CB-CZ 4.2Å; M471-F511 HydrophobicContact SD-CE1 4.47Å; M471-F511 HydrophobicContact SD-CZ 3.81Å |
| 472 | T | 97.8 | Very high | 96.1 | Very high | 48 Ų | 48 | 44 Ų | 44 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.9 | -42.7 | 177.7 | -57 | 0 | 0 | 0 | 0 | 111.6 | E468 R469 I470 L475 H476 | E468-T472 VanDerWaalsContact O-CB 3.26Å; E468-T472 WeakPolarHBondContact O-CB 3.45Å; E468-T472 PolarHBondContact O-N 3.46Å; E468-T472 PolarHBondContact O-OG1 3.29Å; R469-T472 PolarHBondContact O-N 3.35Å; I470-T472 VanDerWaalsContact C-N 3.35Å; I470-T472 PolarHBondContact O-N 3.32Å; T472-L475 PolarHBondContact O-N 3.42Å; T472-H476 WeakPolarHBondContact O-CB 3.38Å; T472-H476 PolarHBondContact O-N 3.45Å |
| 473 | E | 97.8 | Very high | 96.4 | Very high | 104 Ų | 104 | 46.7 Ų | 46.7 | 49% | 0.486 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 175.9 | -174.3 | 175.3 | -179.8 | 0 | 0 | 111.3 | R469 I470 L475 H476 N477 | R469-E473 IonicContact NH1-OE2 3.6Å; R469-E473 PolarHBondContact NH1-OE2 3.46Å; R469-E473 WeakPolarHBondContact O-CB 3.1Å; R469-E473 PolarHBondContact O-N 2.97Å; I470-E473 PolarHBondContact O-N 3.24Å; E473-L475 VanDerWaalsContact C-N 3.35Å; E473-L475 PolarHBondContact O-N 3.3Å; E473-H476 WeakPolarHBondContact O-CB 3.36Å; E473-H476 PolarHBondContact O-N 3.38Å; E473-N477 PolarHBondContact O-N 2.87Å |
| 474 | K | 97.7 | Very high | 96.5 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 14% | 0.135 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 174.5 | -80.8 | -162.1 | 147 | -68.5 | 0 | 112.9 | L413 V416 S417 I470 M471 H476 N477 Q478 E483 L492 | L413-K474 HydrophobicContact CD1-CD 4.41Å; V416-K474 HydrophobicContact CG1-CD 3.77Å; S417-K474 WeakPolarHBondContact OG-CE 3.29Å; I470-K474 PolarHBondContact O-N 3.46Å; M471-K474 PolarHBondContact O-N 3.46Å; K474-H476 VanDerWaalsContact C-N 3.35Å; K474-N477 PolarHBondContact O-N 3.07Å; K474-Q478 WeakPolarHBondContact O-CG 3.44Å; K474-Q478 PolarHBondContact O-N 3.37Å; K474-Q478 VanDerWaalsContact O-N 3.1Å; K474-E483 IonicContact NZ-OE2 2.75Å; K474-E483 PolarHBondContact NZ-OE2 3.44Å; K474-L492 HydrophobicContact CB-CD1 3.84Å; K474-L492 HydrophobicContact CB-CD2 4.08Å |
| 475 | L | 97.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 175.5 | -174.9 | 58 | 0 | 0 | 0 | 111.1 | M471 T472 E473 N477 Q478 V479 L492 V515 D518 L519 | M471-L475 WeakPolarHBondContact O-CB 3.24Å; M471-L475 PolarHBondContact O-N 3.34Å; T472-L475 PolarHBondContact O-N 3.42Å; E473-L475 VanDerWaalsContact C-N 3.35Å; E473-L475 PolarHBondContact O-N 3.3Å; L475-N477 VanDerWaalsContact C-N 3.29Å; L475-N477 PolarHBondContact O-N 3.29Å; L475-Q478 WeakPolarHBondContact O-CA 3.39Å; L475-Q478 WeakPolarHBondContact O-CB 2.87Å; L475-Q478 PolarHBondContact O-N 3.4Å; L475-V479 WeakPolarHBondContact O-CG2 2.93Å; L475-V479 PolarHBondContact O-N 3.39Å; L475-L492 HydrophobicContact CB-CD2 4.01Å; L475-L492 HydrophobicContact CD1-CD2 4.18Å; L475-V515 HydrophobicContact CD2-CB 4.39Å; L475-V515 HydrophobicContact CD2-CG1 4.38Å; L475-V515 HydrophobicContact CD2-CG2 4.32Å; L475-D518 HydrophobicContact CD2-CB 3.85Å; L475-D518 HydrophobicContact CG-CB 4.3Å; L475-L519 HydrophobicContact CD1-CD2 3.7Å; L475-L519 HydrophobicContact CD1-CG 4.1Å |
| 476 | H | 97 | Very high | 96.7 | Very high | 110 Ų | 110 | 48.9 Ų | 48.9 | 51% | 0.509 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.9 | -41.1 | 174.2 | -174.4 | 72.3 | 0 | 0 | 0 | 111.9 | T472 E473 K474 Q478 V479 N480 | T472-H476 WeakPolarHBondContact O-CB 3.38Å; T472-H476 PolarHBondContact O-N 3.45Å; E473-H476 WeakPolarHBondContact O-CB 3.36Å; E473-H476 PolarHBondContact O-N 3.38Å; K474-H476 VanDerWaalsContact C-N 3.35Å; H476-Q478 VanDerWaalsContact C-N 3.27Å; H476-Q478 PolarHBondContact O-N 3.26Å; H476-V479 PolarHBondContact O-N 3.36Å; H476-V479 VanDerWaalsContact O-N 3.08Å; H476-N480 PolarHBondContact CD2-ND2 3.35Å; H476-N480 VanDerWaalsContact CD2-ND2 3.28Å; H476-N480 PolarHBondContact NE2-ND2 3.28Å; H476-N480 PolarHBondContact O-N 3.34Å; H476-N480 PolarHBondContact O-ND2 3.31Å; H476-N480 PolarHBondContact O-OD1 2.99Å |
| 477 | N | 97.5 | Very high | 96.6 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 15% | 0.15 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66 | -25.2 | 175.2 | -68.7 | -13.9 | 0 | 0 | 0 | 113.6 | E473 K474 L475 N480 G481 T482 E483 | E473-N477 PolarHBondContact O-N 2.87Å; K474-N477 PolarHBondContact O-N 3.07Å; L475-N477 VanDerWaalsContact C-N 3.29Å; L475-N477 PolarHBondContact O-N 3.29Å; N477-N480 WeakPolarHBondContact CA-OD1 3.41Å; N477-N480 PolarHBondContact O-OD1 3.08Å; N477-N480 VanDerWaalsContact O-OD1 3.06Å; N477-G481 PolarHBondContact O-N 2.82Å; N477-T482 PolarHBondContact O-N 2.78Å; N477-T482 VanDerWaalsContact O-N 3.1Å; N477-E483 HydrophobicContact CB-CB 4Å; N477-E483 HydrophobicContact CB-CG 3.95Å; N477-E483 PolarHBondContact ND2-OE1 3.29Å; N477-E483 PolarHBondContact O-N 3.23Å |
| 478 | Q | 97.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.009 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.4 | -41.3 | 168.7 | -62 | -55.7 | -55.9 | 0 | 0 | 111.5 | K474 L475 H476 G481 E483 W484 L489 L492 L522 | K474-Q478 WeakPolarHBondContact O-CG 3.44Å; K474-Q478 PolarHBondContact O-N 3.37Å; K474-Q478 VanDerWaalsContact O-N 3.1Å; L475-Q478 WeakPolarHBondContact O-CA 3.39Å; L475-Q478 WeakPolarHBondContact O-CB 2.87Å; L475-Q478 PolarHBondContact O-N 3.4Å; H476-Q478 VanDerWaalsContact C-N 3.27Å; H476-Q478 PolarHBondContact O-N 3.26Å; Q478-G481 PolarHBondContact O-N 3.05Å; Q478-E483 PolarHBondContact NE2-O 2.98Å; Q478-E483 PolarHBondContact OE1-O 3.3Å; Q478-W484 HydrophobicContact CB-CE3 4.48Å; Q478-L489 HydrophobicContact CG-CD1 4.16Å; Q478-L492 HydrophobicContact CG-CD2 4.14Å; Q478-L522 HydrophobicContact CB-CD2 4.16Å |
| 479 | V | 94.9 | Very high | 96.5 | Very high | 33 Ų | 33 | 55.9 Ų | 55.9 | 20% | 0.2 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.8 | -46.5 | -177.1 | 175 | 0 | 0 | 0 | 0 | 112.4 | L475 H476 G481 L522 Q525 | L475-V479 WeakPolarHBondContact O-CG2 2.93Å; L475-V479 PolarHBondContact O-N 3.39Å; H476-V479 PolarHBondContact O-N 3.36Å; H476-V479 VanDerWaalsContact O-N 3.08Å; V479-G481 PolarHBondContact O-N 3.08Å; V479-L522 HydrophobicContact CG2-CB 4.36Å; V479-L522 HydrophobicContact CG2-CD1 4.4Å; V479-L522 HydrophobicContact CG2-CD2 4.41Å; V479-Q525 PolarHBondContact O-NE2 3.37Å; V479-Q525 VanDerWaalsContact O-NE2 3.12Å |
| 480 | N | 94.5 | Very high | 96.4 | Very high | 74 Ų | 74 | 52.1 Ų | 52.1 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -74.6 | -12.7 | 178.8 | 70.4 | 23.2 | 0 | 0 | 0 | 112.9 | H476 N477 T482 | H476-N480 PolarHBondContact CD2-ND2 3.35Å; H476-N480 VanDerWaalsContact CD2-ND2 3.28Å; H476-N480 PolarHBondContact NE2-ND2 3.28Å; H476-N480 PolarHBondContact O-N 3.34Å; H476-N480 PolarHBondContact O-ND2 3.31Å; H476-N480 PolarHBondContact O-OD1 2.99Å; N477-N480 WeakPolarHBondContact CA-OD1 3.41Å; N477-N480 PolarHBondContact O-OD1 3.08Å; N477-N480 VanDerWaalsContact O-OD1 3.06Å; N480-T482 VanDerWaalsContact OD1-CB 3.26Å; N480-T482 WeakPolarHBondContact OD1-CB 3.39Å; N480-T482 PolarHBondContact OD1-N 2.89Å; N480-T482 PolarHBondContact OD1-OG1 3.18Å |
| 481 | G | 92.8 | Very high | 96.3 | Very high | 36 Ų | 36 | 52.9 Ų | 52.9 | 37% | 0.371 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 90.6 | 0.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N477 Q478 V479 E483 | N477-G481 PolarHBondContact O-N 2.82Å; Q478-G481 PolarHBondContact O-N 3.05Å; V479-G481 PolarHBondContact O-N 3.08Å; G481-E483 PolarHBondContact O-N 2.96Å |
| 482 | T | 96.3 | Very high | 96.3 | Very high | 106 Ų | 106 | 53 Ų | 53 | 65% | 0.65 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -64.7 | -40.9 | -177.2 | -53 | 0 | 0 | 0 | 0 | 112.2 | N477 N480 | N477-T482 PolarHBondContact O-N 2.78Å; N477-T482 VanDerWaalsContact O-N 3.1Å; N480-T482 VanDerWaalsContact OD1-CB 3.26Å; N480-T482 WeakPolarHBondContact OD1-CB 3.39Å; N480-T482 PolarHBondContact OD1-N 2.89Å; N480-T482 PolarHBondContact OD1-OG1 3.18Å |
| 483 | E | 95.6 | Very high | 96.3 | Very high | 60 Ų | 60 | 50.7 Ų | 50.7 | 28% | 0.28 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -117.4 | 16.1 | -179.5 | -67.4 | -178.2 | -169.3 | 0 | 0 | 112.8 | K474 N477 Q478 G481 S485 N488 | K474-E483 IonicContact NZ-OE2 2.75Å; K474-E483 PolarHBondContact NZ-OE2 3.44Å; N477-E483 HydrophobicContact CB-CB 4Å; N477-E483 HydrophobicContact CB-CG 3.95Å; N477-E483 PolarHBondContact ND2-OE1 3.29Å; N477-E483 PolarHBondContact O-N 3.23Å; Q478-E483 PolarHBondContact NE2-O 2.98Å; Q478-E483 PolarHBondContact OE1-O 3.3Å; G481-E483 PolarHBondContact O-N 2.96Å; E483-S485 PolarHBondContact O-N 3.21Å; E483-S485 VanDerWaalsContact O-N 3.12Å; E483-N488 PolarHBondContact O-ND2 3.37Å |
| 484 | W | 96.5 | Very high | 96.3 | Very high | 58 Ų | 58 | 48.1 Ų | 48.1 | 22% | 0.22 | 24% | 0.238 | C | C | . | . | trans | -61.8 | 114.4 | -174.6 | 170.5 | -101.2 | 0 | 0 | 0 | 112.1 | Q478 L489 L522 K526 N531 I535 | Q478-W484 HydrophobicContact CB-CE3 4.48Å; W484-L489 HydrophobicContact CH2-CD2 4.15Å; W484-L489 HydrophobicContact CZ3-CD2 3.89Å; W484-L522 HydrophobicContact CE3-CD2 4.3Å; W484-L522 HydrophobicContact CZ3-CD1 4.49Å; W484-L522 HydrophobicContact CZ3-CD2 3.82Å; W484-L522 HydrophobicContact CZ3-CG 4.28Å; W484-K526 HydrophobicContact CD2-CD 4.36Å; W484-K526 HydrophobicContact CH2-CG 4.36Å; W484-K526 HydrophobicContact CZ2-CD 4.19Å; W484-K526 HydrophobicContact CZ2-CG 4.33Å; W484-N531 HydrophobicContact CZ2-CB 4.37Å; W484-I535 HydrophobicContact CH2-CD1 3.75Å; W484-I535 HydrophobicContact CH2-CG1 3.74Å; W484-I535 HydrophobicContact CZ3-CD1 4.3Å; W484-I535 HydrophobicContact CZ3-CG1 4.22Å | ||
| 485 | S | 96.7 | Very high | 96.3 | Very high | 38 Ų | 38 | 46.6 Ų | 46.6 | 27% | 0.266 | 23% | 0.232 | S | C | . | . | trans | -157.4 | 156 | 164 | 71.8 | 0 | 0 | 0 | 0 | 109.8 | E483 R487 N488 L489 | E483-S485 PolarHBondContact O-N 3.21Å; E483-S485 VanDerWaalsContact O-N 3.12Å; S485-R487 VanDerWaalsContact C-N 3.25Å; S485-R487 PolarHBondContact O-N 2.97Å; S485-N488 PolarHBondContact O-N 2.95Å; S485-N488 VanDerWaalsContact OG-CB 3.31Å; S485-N488 WeakPolarHBondContact OG-CB 3.42Å; S485-N488 PolarHBondContact OG-N 3.1Å; S485-N488 VanDerWaalsContact OG-N 3.07Å; S485-N488 PolarHBondContact OG-ND2 3.08Å; S485-L489 PolarHBondContact O-N 3.5Å | ||
| 486 | W | 95.6 | Very high | 96.3 | Very high | 118 Ų | 118 | 46.5 Ų | 46.5 | 45% | 0.447 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.3 | -41.2 | 177.1 | -57.4 | -15 | 0 | 0 | 0 | 111.4 | N490 D530 N531 I534 | W486-N490 VanDerWaalsContact O-CB 3.28Å; W486-N490 WeakPolarHBondContact O-CB 3.3Å; W486-N490 PolarHBondContact O-N 2.82Å; W486-N490 PolarHBondContact O-ND2 3.09Å; W486-N490 PolarHBondContact O-OD1 3.43Å; W486-D530 HydrophobicContact CH2-CB 4.03Å; W486-D530 HydrophobicContact CZ2-CB 3.75Å; W486-N531 PolarHBondContact NE1-OD1 3.47Å; W486-I534 HydrophobicContact CB-CG2 4.12Å; W486-I534 HydrophobicContact CD2-CG1 4.04Å; W486-I534 HydrophobicContact CG-CG1 4.02Å; W486-I534 HydrophobicContact CG-CG2 4.2Å |
| 487 | R | 94 | Very high | 96.1 | Very high | 149 Ų | 149 | 41.3 Ų | 41.3 | 56% | 0.562 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -60.7 | -48.7 | 177.3 | -175.2 | -178.8 | 172.8 | 179.7 | -2.3 | 111.6 | S485 N490 M491 | S485-R487 VanDerWaalsContact C-N 3.25Å; S485-R487 PolarHBondContact O-N 2.97Å; R487-N490 PolarHBondContact O-N 3.34Å; R487-M491 HydrophobicContact CG-CE 3.95Å; R487-M491 HydrophobicContact CG-SD 4.26Å; R487-M491 WeakPolarHBondContact O-CG 3.49Å; R487-M491 PolarHBondContact O-N 3Å |
| 488 | N | 95.3 | Very high | 95.9 | Very high | 52 Ų | 52 | 40 Ų | 40 | 28% | 0.278 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.5 | -41.8 | -177.3 | -67.6 | -10.8 | 0 | 0 | 0 | 112.3 | E483 S485 N490 M491 L492 | E483-N488 PolarHBondContact O-ND2 3.37Å; S485-N488 PolarHBondContact O-N 2.95Å; S485-N488 VanDerWaalsContact OG-CB 3.31Å; S485-N488 WeakPolarHBondContact OG-CB 3.42Å; S485-N488 PolarHBondContact OG-N 3.1Å; S485-N488 VanDerWaalsContact OG-N 3.07Å; S485-N488 PolarHBondContact OG-ND2 3.08Å; N488-N490 VanDerWaalsContact C-N 3.35Å; N488-M491 PolarHBondContact O-N 3.05Å; N488-M491 WeakPolarHBondContact OD1-CE 3.43Å; N488-L492 WeakPolarHBondContact O-CB 3.38Å; N488-L492 PolarHBondContact O-N 3.14Å |
| 489 | L | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 175.1 | -178 | 68.5 | 0 | 0 | 0 | 110.9 | Q478 W484 S485 L492 C493 L519 L522 I534 I535 | Q478-L489 HydrophobicContact CG-CD1 4.16Å; W484-L489 HydrophobicContact CH2-CD2 4.15Å; W484-L489 HydrophobicContact CZ3-CD2 3.89Å; S485-L489 PolarHBondContact O-N 3.5Å; L489-L492 PolarHBondContact O-N 2.93Å; L489-C493 WeakPolarHBondContact O-CB 3.28Å; L489-C493 PolarHBondContact O-N 3.5Å; L489-C493 PolarHBondContact O-SG 3.12Å; L489-L519 HydrophobicContact CD1-CD2 3.85Å; L489-L522 HydrophobicContact CD1-CD2 4.45Å; L489-I534 HydrophobicContact CD2-CG2 4.3Å; L489-I535 HydrophobicContact CD2-CB 4.45Å; L489-I535 HydrophobicContact CD2-CG1 3.81Å |
| 490 | N | 95.6 | Very high | 95.6 | Very high | 37 Ų | 37 | 39.9 Ų | 39.9 | 20% | 0.198 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58 | -51.6 | 177.7 | -73 | -9.7 | 0 | 0 | 0 | 111.6 | W486 R487 N488 L492 C493 W494 N538 | W486-N490 VanDerWaalsContact O-CB 3.28Å; W486-N490 WeakPolarHBondContact O-CB 3.3Å; W486-N490 PolarHBondContact O-N 2.82Å; W486-N490 PolarHBondContact O-ND2 3.09Å; W486-N490 PolarHBondContact O-OD1 3.43Å; R487-N490 PolarHBondContact O-N 3.34Å; N488-N490 VanDerWaalsContact C-N 3.35Å; N490-L492 VanDerWaalsContact C-N 3.33Å; N490-L492 PolarHBondContact O-N 2.98Å; N490-C493 PolarHBondContact O-N 2.89Å; N490-W494 HydrophobicContact CB-CD2 4.4Å; N490-W494 HydrophobicContact CB-CH2 4.01Å; N490-W494 HydrophobicContact CB-CZ2 3.72Å; N490-W494 HydrophobicContact CB-CZ3 4.45Å; N490-W494 WeakPolarHBondContact O-CB 3.48Å; N490-W494 VanDerWaalsContact O-CD2 3.26Å; N490-W494 PolarHBondContact O-N 3.48Å; N490-N538 PolarHBondContact OD1-ND2 3.2Å; N490-N538 PolarHBondContact OD1-OD1 2.92Å |
| 491 | M | 96.4 | Very high | 95.3 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.4 | -43 | 179.3 | -68.8 | -178.4 | -53.6 | 0 | 0 | 111.9 | S417 R487 N488 W494 A495 | S417-M491 VanDerWaalsContact O-CE 3.28Å; S417-M491 WeakPolarHBondContact O-CE 3.38Å; S417-M491 VanDerWaalsContact O-SD 3.36Å; R487-M491 HydrophobicContact CG-CE 3.95Å; R487-M491 HydrophobicContact CG-SD 4.26Å; R487-M491 WeakPolarHBondContact O-CG 3.49Å; R487-M491 PolarHBondContact O-N 3Å; N488-M491 PolarHBondContact O-N 3.05Å; N488-M491 WeakPolarHBondContact OD1-CE 3.43Å; M491-W494 HydrophobicContact CG-CE3 4.24Å; M491-W494 HydrophobicContact CG-CZ3 4.19Å; M491-W494 PolarHBondContact O-N 3.48Å; M491-A495 WeakPolarHBondContact O-CB 3.49Å; M491-A495 PolarHBondContact O-N 2.92Å |
| 492 | L | 98.1 | Very high | 95 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -50 | 175.7 | 174.8 | 61.5 | 0 | 0 | 0 | 111.4 | V416 M471 K474 L475 Q478 N488 L489 N490 W494 A495 I496 | V416-L492 HydrophobicContact CG1-CD1 3.94Å; M471-L492 HydrophobicContact CB-CD1 4.4Å; M471-L492 HydrophobicContact CG-CD1 4.49Å; K474-L492 HydrophobicContact CB-CD1 3.84Å; K474-L492 HydrophobicContact CB-CD2 4.08Å; L475-L492 HydrophobicContact CB-CD2 4.01Å; L475-L492 HydrophobicContact CD1-CD2 4.18Å; Q478-L492 HydrophobicContact CG-CD2 4.14Å; N488-L492 WeakPolarHBondContact O-CB 3.38Å; N488-L492 PolarHBondContact O-N 3.14Å; L489-L492 PolarHBondContact O-N 2.93Å; N490-L492 VanDerWaalsContact C-N 3.33Å; N490-L492 PolarHBondContact O-N 2.98Å; L492-W494 VanDerWaalsContact C-N 3.34Å; L492-W494 PolarHBondContact O-N 3.49Å; L492-A495 WeakPolarHBondContact O-CB 3.5Å; L492-A495 PolarHBondContact O-N 2.88Å; L492-I496 HydrophobicContact CD1-CD1 4.06Å; L492-I496 HydrophobicContact CD1-CG1 4.28Å; L492-I496 HydrophobicContact CG-CD1 3.94Å; L492-I496 WeakPolarHBondContact O-CG1 3.48Å; L492-I496 PolarHBondContact O-N 3.49Å |
| 493 | C | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.4 | -33.2 | -178.7 | -67.2 | 0 | 0 | 0 | 0 | 112.3 | L489 N490 I496 G497 N538 Y541 I542 | L489-C493 WeakPolarHBondContact O-CB 3.28Å; L489-C493 PolarHBondContact O-N 3.5Å; L489-C493 PolarHBondContact O-SG 3.12Å; N490-C493 PolarHBondContact O-N 2.89Å; C493-I496 PolarHBondContact O-N 3.33Å; C493-G497 PolarHBondContact O-N 3.37Å; C493-N538 HydrophobicContact CB-CB 3.84Å; C493-N538 WeakPolarHBondContact CB-OD1 3.47Å; C493-Y541 VanDerWaalsContact O-CE1 3.3Å; C493-Y541 WeakPolarHBondContact O-CE1 3.34Å; C493-I542 HydrophobicContact CB-CD1 3.84Å; C493-I542 HydrophobicContact CB-CG1 4.17Å |
| 494 | W | 97.8 | Very high | 94.3 | Very high | 50 Ų | 50 | 36.8 Ų | 36.8 | 19% | 0.189 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 170.1 | -62.3 | -20 | 0 | 0 | 0 | 111.8 | M419 K421 P422 N490 M491 L492 G497 S498 Y541 | M419-W494 HydrophobicContact CB-CB 4.49Å; M419-W494 HydrophobicContact CG-CB 3.82Å; K421-W494 HydrophobicContact CB-CE3 4.43Å; K421-W494 HydrophobicContact CB-CH2 3.91Å; K421-W494 HydrophobicContact CB-CZ2 4.29Å; K421-W494 HydrophobicContact CB-CZ3 3.99Å; K421-W494 HydrophobicContact CG-CH2 3.93Å; K421-W494 HydrophobicContact CG-CZ2 3.85Å; K421-W494 HydrophobicContact CG-CZ3 4.45Å; P422-W494 HydrophobicContact CG-CG 4.27Å; N490-W494 HydrophobicContact CB-CD2 4.4Å; N490-W494 HydrophobicContact CB-CH2 4.01Å; N490-W494 HydrophobicContact CB-CZ2 3.72Å; N490-W494 HydrophobicContact CB-CZ3 4.45Å; N490-W494 WeakPolarHBondContact O-CB 3.48Å; N490-W494 VanDerWaalsContact O-CD2 3.26Å; N490-W494 PolarHBondContact O-N 3.48Å; M491-W494 HydrophobicContact CG-CE3 4.24Å; M491-W494 HydrophobicContact CG-CZ3 4.19Å; M491-W494 PolarHBondContact O-N 3.48Å; L492-W494 VanDerWaalsContact C-N 3.34Å; L492-W494 PolarHBondContact O-N 3.49Å; W494-G497 PolarHBondContact O-N 2.96Å; W494-S498 WeakPolarHBondContact O-CB 3.4Å; W494-S498 PolarHBondContact O-N 3.33Å; W494-Y541 AromaticContact CD1-CE1 3.96Å |
| 495 | A | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.4 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V416 M419 L456 M471 M491 L492 G497 S498 I499 | V416-A495 HydrophobicContact CB-CB 4.3Å; V416-A495 HydrophobicContact CG1-CB 4.12Å; V416-A495 HydrophobicContact CG2-CB 4.24Å; M419-A495 HydrophobicContact CB-CB 4.02Å; M419-A495 HydrophobicContact CE-CB 4.16Å; M419-A495 HydrophobicContact CG-CB 4.15Å; L456-A495 HydrophobicContact CD2-CB 4.2Å; M471-A495 HydrophobicContact CE-CB 4.1Å; M471-A495 WeakPolarHBondContact CE-O 3.37Å; M491-A495 WeakPolarHBondContact O-CB 3.49Å; M491-A495 PolarHBondContact O-N 2.92Å; L492-A495 WeakPolarHBondContact O-CB 3.5Å; L492-A495 PolarHBondContact O-N 2.88Å; A495-G497 VanDerWaalsContact C-N 3.3Å; A495-G497 PolarHBondContact O-N 3.2Å; A495-S498 PolarHBondContact O-N 2.98Å; A495-S498 PolarHBondContact O-OG 2.99Å; A495-I499 PolarHBondContact O-N 2.93Å |
| 496 | I | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 173.1 | -68.9 | 169.1 | 0 | 0 | 0 | 110.1 | M471 L492 C493 I499 F511 V515 I542 Y546 | M471-I496 HydrophobicContact CB-CG1 4.39Å; M471-I496 HydrophobicContact CG-CG1 4.32Å; M471-I496 HydrophobicContact SD-CB 4.43Å; M471-I496 HydrophobicContact SD-CG1 3.71Å; L492-I496 HydrophobicContact CD1-CD1 4.06Å; L492-I496 HydrophobicContact CD1-CG1 4.28Å; L492-I496 HydrophobicContact CG-CD1 3.94Å; L492-I496 WeakPolarHBondContact O-CG1 3.48Å; L492-I496 PolarHBondContact O-N 3.49Å; C493-I496 PolarHBondContact O-N 3.33Å; I496-I499 WeakPolarHBondContact O-CG1 3.41Å; I496-F511 HydrophobicContact CG1-CZ 4.24Å; I496-F511 HydrophobicContact CG2-CE1 4.07Å; I496-F511 HydrophobicContact CG2-CZ 4.22Å; I496-V515 HydrophobicContact CD1-CG1 4.02Å; I496-V515 HydrophobicContact CD1-CG2 4.37Å; I496-V515 HydrophobicContact CG2-CG1 4.37Å; I496-I542 HydrophobicContact CB-CD1 4.28Å; I496-I542 HydrophobicContact CB-CG1 4.47Å; I496-I542 HydrophobicContact CD1-CD1 4.31Å; I496-I542 HydrophobicContact CG2-CD1 3.96Å; I496-I542 HydrophobicContact CG2-CG1 4.1Å; I496-I542 HydrophobicContact CG2-CG2 4.22Å; I496-Y546 HydrophobicContact CG2-CE2 4.3Å; I496-Y546 WeakPolarHBondContact O-CE2 3.42Å; I496-Y546 PolarHBondContact O-OH 2.85Å |
| 497 | G | 93.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.4 | -31.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C493 W494 A495 I499 S500 | C493-G497 PolarHBondContact O-N 3.37Å; W494-G497 PolarHBondContact O-N 2.96Å; A495-G497 VanDerWaalsContact C-N 3.3Å; A495-G497 PolarHBondContact O-N 3.2Å; G497-I499 PolarHBondContact O-N 3.19Å; G497-S500 WeakPolarHBondContact O-CB 3.48Å; G497-S500 PolarHBondContact O-N 2.96Å |
| 498 | S | 92.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71 | -29 | -173.9 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | R453 W494 A495 S500 | R453-S498 WeakPolarHBondContact CD-O 3.28Å; R453-S498 WeakPolarHBondContact CG-O 3.45Å; R453-S498 PolarHBondContact NE-O 3Å; W494-S498 WeakPolarHBondContact O-CB 3.4Å; W494-S498 PolarHBondContact O-N 3.33Å; A495-S498 PolarHBondContact O-N 2.98Å; A495-S498 PolarHBondContact O-OG 2.99Å; S498-S500 VanDerWaalsContact C-N 3.29Å; S498-S500 PolarHBondContact O-N 3.27Å |
| 499 | I | 94.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 7.4 | 178.2 | 64.1 | 160.9 | 0 | 0 | 0 | 114.4 | L456 T467 M471 A495 I496 G497 G501 A502 M503 F511 | L456-I499 HydrophobicContact CB-CG2 4.43Å; L456-I499 HydrophobicContact CD2-CG2 3.63Å; L456-I499 HydrophobicContact CG-CG2 3.57Å; T467-I499 HydrophobicContact CG2-CD1 4.15Å; M471-I499 HydrophobicContact CE-CD1 3.65Å; M471-I499 HydrophobicContact CE-CG1 4.02Å; M471-I499 HydrophobicContact CE-CG2 4.08Å; M471-I499 HydrophobicContact SD-CD1 3.63Å; M471-I499 HydrophobicContact SD-CG1 4.41Å; A495-I499 PolarHBondContact O-N 2.93Å; I496-I499 WeakPolarHBondContact O-CG1 3.41Å; G497-I499 PolarHBondContact O-N 3.19Å; I499-G501 PolarHBondContact O-N 3.45Å; I499-A502 HydrophobicContact CB-CB 4.41Å; I499-A502 WeakPolarHBondContact O-CB 3.46Å; I499-A502 PolarHBondContact O-N 3.21Å; I499-M503 HydrophobicContact CD1-CE 3.98Å; I499-F511 HydrophobicContact CD1-CE1 4.3Å |
| 500 | S | 92.3 | Very high | 93.1 | Very high | 31 Ų | 31 | 45 Ų | 45 | 22% | 0.217 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 128 | 179.8 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | G497 S498 Q545 Y546 | G497-S500 WeakPolarHBondContact O-CB 3.48Å; G497-S500 PolarHBondContact O-N 2.96Å; S498-S500 VanDerWaalsContact C-N 3.29Å; S498-S500 PolarHBondContact O-N 3.27Å; S500-Q545 WeakPolarHBondContact CB-O 3.34Å; S500-Q545 PolarHBondContact OG-O 2.87Å; S500-Y546 WeakPolarHBondContact OG-CD1 3.05Å; S500-Y546 WeakPolarHBondContact OG-CE1 3.32Å |
| 501 | G | 87.4 | Confident | 93 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 49% | 0.485 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -3.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | I499 E508 | I499-G501 PolarHBondContact O-N 3.45Å; G501-E508 PolarHBondContact N-OE2 3.37Å; G501-E508 VanDerWaalsContact N-OE2 3.16Å |
| 502 | A | 86.3 | Confident | 92.9 | Very high | 11 Ų | 11 | 42.1 Ų | 42.1 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -80.5 | -15.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V457 T460 I499 | V457-A502 HydrophobicContact CG1-CB 4.27Å; T460-A502 HydrophobicContact CG2-CB 3.92Å; I499-A502 HydrophobicContact CB-CB 4.41Å; I499-A502 WeakPolarHBondContact O-CB 3.46Å; I499-A502 PolarHBondContact O-N 3.21Å |
| 503 | M | 89.6 | Confident | 92.7 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 4% | 0.044 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -103.3 | 157.7 | 176.6 | -66.4 | 174.6 | 176.9 | 0 | 0 | 111.2 | T460 E468 I499 D507 E508 F511 R548 | T460-M503 HydrophobicContact CG2-CE 4.35Å; T460-M503 HydrophobicContact CG2-CG 4.41Å; E468-M503 HydrophobicContact CB-CE 4.19Å; I499-M503 HydrophobicContact CD1-CE 3.98Å; M503-D507 HydrophobicContact CB-CB 4.43Å; M503-E508 HydrophobicContact CB-CB 4.11Å; M503-F511 HydrophobicContact CE-CD1 4.4Å; M503-F511 HydrophobicContact SD-CB 4.38Å; M503-F511 HydrophobicContact SD-CD1 4.11Å; M503-F511 HydrophobicContact SD-CG 4.4Å; M503-R548 PolarHBondContact O-NH2 3.08Å |
| 504 | H | 88.4 | Confident | 92.6 | Very high | 144 Ų | 144 | 48.1 Ų | 48.1 | 67% | 0.667 | 24% | 0.242 | S | C | * | . | trans | -63 | 155.6 | 165.9 | -65.9 | -60.2 | 0 | 0 | 0 | 110.7 | E506 D507 E508 | H504-E506 VanDerWaalsContact C-N 3.32Å; H504-E506 PolarHBondContact O-N 3.47Å; H504-D507 PolarHBondContact O-N 3.15Å; H504-E508 VanDerWaalsContact O-CB 3.3Å; H504-E508 WeakPolarHBondContact O-CB 3.39Å; H504-E508 PolarHBondContact O-N 3.16Å | ||
| 505 | E | 87.5 | Confident | 92.5 | Very high | 105 Ų | 105 | 45.8 Ų | 45.8 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.5 | -36.3 | -171.8 | -174 | 172.7 | 173.4 | 0 | 0 | 113.3 | K509 R548 | E505-K509 VanDerWaalsContact O-CB 3.25Å; E505-K509 WeakPolarHBondContact O-CB 3.26Å; E505-K509 PolarHBondContact O-N 2.59Å; E505-R548 HydrophobicContact CG-CG 4.35Å |
| 506 | E | 91.3 | Very high | 92.3 | Very high | 168 Ų | 168 | 46.4 Ų | 46.4 | 79% | 0.785 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -69.2 | -43.4 | 177.8 | -63.5 | -170.4 | 166.6 | 0 | 0 | 112.5 | H504 K509 R510 | H504-E506 VanDerWaalsContact C-N 3.32Å; H504-E506 PolarHBondContact O-N 3.47Å; E506-K509 PolarHBondContact O-N 3.5Å; E506-R510 PolarHBondContact O-N 2.65Å |
| 507 | D | 91.6 | Very high | 92.1 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 19% | 0.193 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 176.3 | -63.4 | -53.5 | 0 | 0 | 0 | 110.8 | Y464 M503 H504 K509 R510 F511 | Y464-D507 HydrophobicContact CE2-CB 4.24Å; M503-D507 HydrophobicContact CB-CB 4.43Å; H504-D507 PolarHBondContact O-N 3.15Å; D507-K509 VanDerWaalsContact C-N 3.29Å; D507-K509 PolarHBondContact O-N 3.37Å; D507-R510 PolarHBondContact O-N 2.98Å; D507-R510 VanDerWaalsContact O-N 3.15Å; D507-F511 WeakPolarHBondContact O-CB 3.39Å; D507-F511 PolarHBondContact O-N 3.04Å |
| 508 | E | 91.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.019 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.5 | -43.7 | 175.9 | -176.1 | 175.3 | 86.4 | 0 | 0 | 111 | G501 M503 H504 F511 L512 Y546 R548 | G501-E508 PolarHBondContact N-OE2 3.37Å; G501-E508 VanDerWaalsContact N-OE2 3.16Å; M503-E508 HydrophobicContact CB-CB 4.11Å; H504-E508 VanDerWaalsContact O-CB 3.3Å; H504-E508 WeakPolarHBondContact O-CB 3.39Å; H504-E508 PolarHBondContact O-N 3.16Å; E508-F511 PolarHBondContact O-N 3.29Å; E508-L512 HydrophobicContact CG-CD1 3.89Å; E508-L512 HydrophobicContact CG-CG 4.25Å; E508-L512 VanDerWaalsContact O-CB 3.32Å; E508-L512 WeakPolarHBondContact O-CB 3.38Å; E508-L512 VanDerWaalsContact O-CG 3.22Å; E508-L512 WeakPolarHBondContact O-CG 3.44Å; E508-L512 PolarHBondContact O-N 2.74Å; E508-Y546 VanDerWaalsContact CD-CD1 3.48Å; E508-Y546 HydrophobicContact CG-CD1 3.87Å; E508-Y546 HydrophobicContact CG-CE1 3.76Å; E508-Y546 WeakPolarHBondContact OE2-CE1 3.49Å; E508-R548 IonicContact OE1-CZ 2.8Å; E508-R548 IonicContact OE1-NE 2.89Å; E508-R548 PolarHBondContact OE1-NE 3.39Å; E508-R548 IonicContact OE1-NH2 3.57Å; E508-R548 PolarHBondContact OE1-NH2 2.8Å; E508-R548 IonicContact OE2-CZ 3.24Å; E508-R548 IonicContact OE2-NE 3.06Å; E508-R548 IonicContact OE2-NH2 3.4Å; E508-R548 PolarHBondContact OE2-NH2 3.27Å |
| 509 | K | 92.4 | Very high | 92.3 | Very high | 101 Ų | 101 | 56.5 Ų | 56.5 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.6 | -49.2 | 175.8 | 176 | -172.8 | 176.6 | -174.3 | 0 | 111.6 | E505 E506 D507 L512 V513 F549 | E505-K509 VanDerWaalsContact O-CB 3.25Å; E505-K509 WeakPolarHBondContact O-CB 3.26Å; E505-K509 PolarHBondContact O-N 2.59Å; E506-K509 PolarHBondContact O-N 3.5Å; D507-K509 VanDerWaalsContact C-N 3.29Å; D507-K509 PolarHBondContact O-N 3.37Å; K509-L512 PolarHBondContact O-N 3.41Å; K509-V513 VanDerWaalsContact O-CG2 3.25Å; K509-V513 WeakPolarHBondContact O-CG2 3.23Å; K509-V513 PolarHBondContact O-N 2.88Å; K509-F549 HydrophobicContact CB-CD2 4.37Å; K509-F549 HydrophobicContact CB-CE2 4.48Å; K509-F549 HydrophobicContact CG-CD2 4.33Å; K509-F549 HydrophobicContact CG-CE2 4.01Å |
| 510 | R | 94.4 | Very high | 92.1 | Very high | 173 Ų | 173 | 60.8 Ų | 60.8 | 65% | 0.653 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.2 | -45.5 | -180 | 178.9 | -175.8 | 171.8 | -171.2 | -4.9 | 111.3 | E506 D507 T514 | E506-R510 PolarHBondContact O-N 2.65Å; D507-R510 PolarHBondContact O-N 2.98Å; D507-R510 VanDerWaalsContact O-N 3.15Å; R510-T514 PolarHBondContact O-N 3.08Å; R510-T514 PolarHBondContact O-OG1 3.11Å; R510-T514 VanDerWaalsContact O-OG1 3.04Å |
| 511 | F | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -51.8 | 178.2 | 172.8 | -122.6 | 0 | 0 | 0 | 111.4 | E468 M471 I496 I499 M503 D507 E508 V513 T514 V515 | E468-F511 HydrophobicContact CG-CD2 3.74Å; E468-F511 HydrophobicContact CG-CE2 4.24Å; E468-F511 HydrophobicContact CG-CG 4.48Å; M471-F511 HydrophobicContact CB-CE2 4.29Å; M471-F511 HydrophobicContact CB-CZ 4.2Å; M471-F511 HydrophobicContact SD-CE1 4.47Å; M471-F511 HydrophobicContact SD-CZ 3.81Å; I496-F511 HydrophobicContact CG1-CZ 4.24Å; I496-F511 HydrophobicContact CG2-CE1 4.07Å; I496-F511 HydrophobicContact CG2-CZ 4.22Å; I499-F511 HydrophobicContact CD1-CE1 4.3Å; M503-F511 HydrophobicContact CE-CD1 4.4Å; M503-F511 HydrophobicContact SD-CB 4.38Å; M503-F511 HydrophobicContact SD-CD1 4.11Å; M503-F511 HydrophobicContact SD-CG 4.4Å; D507-F511 WeakPolarHBondContact O-CB 3.39Å; D507-F511 PolarHBondContact O-N 3.04Å; E508-F511 PolarHBondContact O-N 3.29Å; F511-V513 PolarHBondContact O-N 3.37Å; F511-T514 WeakPolarHBondContact O-CB 3.45Å; F511-T514 PolarHBondContact O-N 3.28Å; F511-T514 VanDerWaalsContact O-N 3.09Å; F511-V515 HydrophobicContact CD2-CG2 3.87Å; F511-V515 HydrophobicContact CE1-CG2 4.2Å; F511-V515 HydrophobicContact CE2-CG2 3.45Å; F511-V515 VanDerWaalsContact CE2-CG2 3.45Å; F511-V515 HydrophobicContact CG-CG2 4.42Å; F511-V515 HydrophobicContact CZ-CG2 3.64Å; F511-V515 WeakPolarHBondContact O-CG2 3.39Å; F511-V515 PolarHBondContact O-N 2.78Å |
| 512 | L | 94 | Very high | 92.5 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -38.9 | -178.5 | -73.3 | 178.2 | 0 | 0 | 0 | 113.5 | E508 K509 T514 V515 I516 I542 Y546 F549 | E508-L512 HydrophobicContact CG-CD1 3.89Å; E508-L512 HydrophobicContact CG-CG 4.25Å; E508-L512 VanDerWaalsContact O-CB 3.32Å; E508-L512 WeakPolarHBondContact O-CB 3.38Å; E508-L512 VanDerWaalsContact O-CG 3.22Å; E508-L512 WeakPolarHBondContact O-CG 3.44Å; E508-L512 PolarHBondContact O-N 2.74Å; K509-L512 PolarHBondContact O-N 3.41Å; L512-T514 PolarHBondContact O-N 3.46Å; L512-V515 PolarHBondContact O-N 3.48Å; L512-I516 HydrophobicContact CB-CD1 4.38Å; L512-I516 WeakPolarHBondContact O-CB 3.37Å; L512-I516 WeakPolarHBondContact O-CD1 3.4Å; L512-I516 WeakPolarHBondContact O-CG1 3.34Å; L512-I516 PolarHBondContact O-N 2.92Å; L512-I542 HydrophobicContact CD2-CG2 4.19Å; L512-Y546 HydrophobicContact CD1-CD1 3.56Å; L512-Y546 HydrophobicContact CD1-CD2 4.31Å; L512-Y546 HydrophobicContact CD1-CE1 4.13Å; L512-Y546 HydrophobicContact CD1-CG 3.62Å; L512-Y546 HydrophobicContact CD2-CD1 4.08Å; L512-Y546 HydrophobicContact CD2-CD2 3.68Å; L512-Y546 HydrophobicContact CD2-CE1 4.05Å; L512-Y546 HydrophobicContact CD2-CE2 3.72Å; L512-Y546 HydrophobicContact CD2-CG 3.87Å; L512-Y546 HydrophobicContact CG-CD1 4.23Å; L512-Y546 HydrophobicContact CG-CE1 4.34Å; L512-Y546 HydrophobicContact CG-CG 4.33Å; L512-F549 HydrophobicContact CB-CD2 4.4Å; L512-F549 HydrophobicContact CB-CE2 4.41Å; L512-F549 HydrophobicContact CD1-CB 3.61Å; L512-F549 HydrophobicContact CD1-CD1 4.27Å; L512-F549 HydrophobicContact CD1-CD2 3.9Å; L512-F549 HydrophobicContact CD1-CG 3.67Å |
| 513 | V | 93.9 | Very high | 92.8 | Very high | 76 Ų | 76 | 59.3 Ų | 59.3 | 46% | 0.461 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | 175.6 | 167.9 | 0 | 0 | 0 | 0 | 110.5 | K509 F511 K517 F549 | K509-V513 VanDerWaalsContact O-CG2 3.25Å; K509-V513 WeakPolarHBondContact O-CG2 3.23Å; K509-V513 PolarHBondContact O-N 2.88Å; F511-V513 PolarHBondContact O-N 3.37Å; V513-K517 WeakPolarHBondContact O-CB 3.39Å; V513-K517 PolarHBondContact O-N 3.34Å; V513-K517 VanDerWaalsContact O-N 3.16Å; V513-F549 HydrophobicContact CG2-CE2 4.19Å; V513-F549 HydrophobicContact CG2-CZ 4.26Å |
| 514 | T | 95 | Very high | 92.9 | Very high | 52 Ų | 52 | 65.9 Ų | 65.9 | 32% | 0.319 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.3 | -52.3 | 177.2 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | R510 F511 L512 I516 K517 D518 | R510-T514 PolarHBondContact O-N 3.08Å; R510-T514 PolarHBondContact O-OG1 3.11Å; R510-T514 VanDerWaalsContact O-OG1 3.04Å; F511-T514 WeakPolarHBondContact O-CB 3.45Å; F511-T514 PolarHBondContact O-N 3.28Å; F511-T514 VanDerWaalsContact O-N 3.09Å; L512-T514 PolarHBondContact O-N 3.46Å; T514-I516 PolarHBondContact O-N 2.94Å; T514-K517 PolarHBondContact O-N 3.18Å; T514-D518 PolarHBondContact O-N 3.45Å |
| 515 | V | 96.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.9 | -50.2 | -179.3 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | L475 I496 F511 L512 D518 L519 I542 | L475-V515 HydrophobicContact CD2-CB 4.39Å; L475-V515 HydrophobicContact CD2-CG1 4.38Å; L475-V515 HydrophobicContact CD2-CG2 4.32Å; I496-V515 HydrophobicContact CD1-CG1 4.02Å; I496-V515 HydrophobicContact CD1-CG2 4.37Å; I496-V515 HydrophobicContact CG2-CG1 4.37Å; F511-V515 HydrophobicContact CD2-CG2 3.87Å; F511-V515 HydrophobicContact CE1-CG2 4.2Å; F511-V515 HydrophobicContact CE2-CG2 3.45Å; F511-V515 VanDerWaalsContact CE2-CG2 3.45Å; F511-V515 HydrophobicContact CG-CG2 4.42Å; F511-V515 HydrophobicContact CZ-CG2 3.64Å; F511-V515 WeakPolarHBondContact O-CG2 3.39Å; F511-V515 PolarHBondContact O-N 2.78Å; L512-V515 PolarHBondContact O-N 3.48Å; V515-D518 PolarHBondContact O-N 3.13Å; V515-L519 HydrophobicContact CG1-CD1 3.82Å; V515-L519 HydrophobicContact CG1-CG 4.47Å; V515-L519 WeakPolarHBondContact O-CB 3.39Å; V515-L519 VanDerWaalsContact O-CG 3.31Å; V515-L519 WeakPolarHBondContact O-CG 3.35Å; V515-L519 PolarHBondContact O-N 3.21Å; V515-I542 HydrophobicContact CG1-CD1 4Å |
| 516 | I | 93.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 60.9 Ų | 60.9 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.7 | -41.1 | -177.2 | -68.9 | 160.3 | 0 | 0 | 0 | 110.6 | L512 T514 D518 L519 L520 V543 F549 F556 | L512-I516 HydrophobicContact CB-CD1 4.38Å; L512-I516 WeakPolarHBondContact O-CB 3.37Å; L512-I516 WeakPolarHBondContact O-CD1 3.4Å; L512-I516 WeakPolarHBondContact O-CG1 3.34Å; L512-I516 PolarHBondContact O-N 2.92Å; T514-I516 PolarHBondContact O-N 2.94Å; I516-D518 PolarHBondContact O-N 3.03Å; I516-L519 PolarHBondContact O-N 3.11Å; I516-L520 HydrophobicContact CG2-CD1 3.86Å; I516-L520 HydrophobicContact CG2-CG 4.31Å; I516-L520 WeakPolarHBondContact O-CB 3.35Å; I516-L520 VanDerWaalsContact O-CG 3.27Å; I516-L520 WeakPolarHBondContact O-CG 3.38Å; I516-L520 PolarHBondContact O-N 2.95Å; I516-V543 HydrophobicContact CD1-CG2 4.24Å; I516-F549 HydrophobicContact CD1-CE1 4.43Å; I516-F556 HydrophobicContact CD1-CE1 4.38Å; I516-F556 HydrophobicContact CD1-CZ 3.9Å; I516-F556 HydrophobicContact CG2-CE2 4.44Å; I516-F556 HydrophobicContact CG2-CZ 4.14Å |
| 517 | K | 93.4 | Very high | 93.4 | Very high | 152 Ų | 152 | 63.3 Ų | 63.3 | 66% | 0.661 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.6 | -44.8 | 178.6 | -176.1 | -177.1 | 178.5 | -172 | 0 | 111.5 | V513 T514 L520 G521 | V513-K517 WeakPolarHBondContact O-CB 3.39Å; V513-K517 PolarHBondContact O-N 3.34Å; V513-K517 VanDerWaalsContact O-N 3.16Å; T514-K517 PolarHBondContact O-N 3.18Å; K517-L520 PolarHBondContact O-N 3.42Å; K517-G521 PolarHBondContact O-N 2.97Å |
| 518 | D | 95.3 | Very high | 93.3 | Very high | 61 Ų | 61 | 63.8 Ų | 63.8 | 33% | 0.326 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.8 | -37.7 | -179.1 | -71.4 | -8.6 | 0 | 0 | 0 | 111.8 | L475 T514 V515 I516 G521 L522 | L475-D518 HydrophobicContact CD2-CB 3.85Å; L475-D518 HydrophobicContact CG-CB 4.3Å; T514-D518 PolarHBondContact O-N 3.45Å; V515-D518 PolarHBondContact O-N 3.13Å; I516-D518 PolarHBondContact O-N 3.03Å; D518-G521 PolarHBondContact O-N 3.22Å; D518-L522 WeakPolarHBondContact O-CB 3.34Å; D518-L522 PolarHBondContact O-N 2.78Å |
| 519 | L | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 173.7 | -73.1 | 173.3 | 0 | 0 | 0 | 112.7 | L475 L489 V515 I516 L522 C523 I535 I539 I542 | L475-L519 HydrophobicContact CD1-CD2 3.7Å; L475-L519 HydrophobicContact CD1-CG 4.1Å; L489-L519 HydrophobicContact CD1-CD2 3.85Å; V515-L519 HydrophobicContact CG1-CD1 3.82Å; V515-L519 HydrophobicContact CG1-CG 4.47Å; V515-L519 WeakPolarHBondContact O-CB 3.39Å; V515-L519 VanDerWaalsContact O-CG 3.31Å; V515-L519 WeakPolarHBondContact O-CG 3.35Å; V515-L519 PolarHBondContact O-N 3.21Å; I516-L519 PolarHBondContact O-N 3.11Å; L519-L522 HydrophobicContact CD2-CD2 4.47Å; L519-L522 WeakPolarHBondContact O-CB 3.41Å; L519-L522 PolarHBondContact O-N 3.29Å; L519-C523 WeakPolarHBondContact O-CB 3.41Å; L519-C523 PolarHBondContact O-N 3.31Å; L519-I535 WeakPolarHBondContact O-CG2 3.3Å; L519-I539 HydrophobicContact CB-CD1 3.93Å; L519-I539 HydrophobicContact CB-CG1 3.68Å; L519-I539 HydrophobicContact CD1-CG1 4.06Å; L519-I539 HydrophobicContact CG-CG1 4.45Å; L519-I542 HydrophobicContact CD1-CD1 3.61Å |
| 520 | L | 91.5 | Very high | 93.1 | Very high | 91 Ų | 91 | 68.2 Ų | 68.2 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 172.5 | -74.3 | 171.2 | 0 | 0 | 0 | 110.9 | I516 K517 L522 C523 E524 I539 | I516-L520 HydrophobicContact CG2-CD1 3.86Å; I516-L520 HydrophobicContact CG2-CG 4.31Å; I516-L520 WeakPolarHBondContact O-CB 3.35Å; I516-L520 VanDerWaalsContact O-CG 3.27Å; I516-L520 WeakPolarHBondContact O-CG 3.38Å; I516-L520 PolarHBondContact O-N 2.95Å; K517-L520 PolarHBondContact O-N 3.42Å; L520-L522 VanDerWaalsContact C-N 3.3Å; L520-L522 PolarHBondContact O-N 3.3Å; L520-C523 WeakPolarHBondContact O-CB 3.4Å; L520-C523 PolarHBondContact O-N 2.99Å; L520-E524 PolarHBondContact O-N 2.91Å; L520-I539 HydrophobicContact CD2-CD1 4.03Å; L520-I539 HydrophobicContact CG-CD1 4.39Å |
| 521 | G | 92.2 | Very high | 92.9 | Very high | 39 Ų | 39 | 61.9 Ų | 61.9 | 40% | 0.402 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.1 | -42.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | K517 D518 E524 Q525 | K517-G521 PolarHBondContact O-N 2.97Å; D518-G521 PolarHBondContact O-N 3.22Å; G521-E524 PolarHBondContact O-N 3.48Å; G521-Q525 WeakPolarHBondContact O-CB 3.24Å; G521-Q525 PolarHBondContact O-N 2.93Å |
| 522 | L | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64 | -40.7 | 175.9 | -173.5 | 54.8 | 0 | 0 | 0 | 112.2 | Q478 V479 W484 L489 D518 L519 L520 E524 Q525 K526 I535 | Q478-L522 HydrophobicContact CB-CD2 4.16Å; V479-L522 HydrophobicContact CG2-CB 4.36Å; V479-L522 HydrophobicContact CG2-CD1 4.4Å; V479-L522 HydrophobicContact CG2-CD2 4.41Å; W484-L522 HydrophobicContact CE3-CD2 4.3Å; W484-L522 HydrophobicContact CZ3-CD1 4.49Å; W484-L522 HydrophobicContact CZ3-CD2 3.82Å; W484-L522 HydrophobicContact CZ3-CG 4.28Å; L489-L522 HydrophobicContact CD1-CD2 4.45Å; D518-L522 WeakPolarHBondContact O-CB 3.34Å; D518-L522 PolarHBondContact O-N 2.78Å; L519-L522 HydrophobicContact CD2-CD2 4.47Å; L519-L522 WeakPolarHBondContact O-CB 3.41Å; L519-L522 PolarHBondContact O-N 3.29Å; L520-L522 VanDerWaalsContact C-N 3.3Å; L520-L522 PolarHBondContact O-N 3.3Å; L522-E524 VanDerWaalsContact C-N 3.31Å; L522-E524 PolarHBondContact O-N 2.95Å; L522-Q525 PolarHBondContact O-N 3.35Å; L522-K526 HydrophobicContact CD1-CD 4.39Å; L522-K526 HydrophobicContact CD1-CG 3.81Å; L522-K526 HydrophobicContact CG-CG 4.31Å; L522-K526 WeakPolarHBondContact O-CB 3.42Å; L522-K526 WeakPolarHBondContact O-CG 3.48Å; L522-K526 PolarHBondContact O-N 3.33Å; L522-I535 HydrophobicContact CG-CD1 4.05Å |
| 523 | C | 92.4 | Very high | 92.5 | Very high | 19 Ų | 19 | 65.8 Ų | 65.8 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 176.2 | -170.5 | 0 | 0 | 0 | 0 | 111.9 | L519 L520 K532 I535 | L519-C523 WeakPolarHBondContact O-CB 3.41Å; L519-C523 PolarHBondContact O-N 3.31Å; L520-C523 WeakPolarHBondContact O-CB 3.4Å; L520-C523 PolarHBondContact O-N 2.99Å; C523-K532 PolarHBondContact O-NZ 3.18Å; C523-I535 HydrophobicContact CB-CB 4.34Å; C523-I535 HydrophobicContact CB-CG2 3.68Å |
| 524 | E | 92.1 | Very high | 92.3 | Very high | 147 Ų | 147 | 64 Ų | 64 | 69% | 0.687 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -72 | -39.4 | 174.1 | -70 | -52.6 | 128.1 | 0 | 0 | 112.4 | L520 G521 L522 | L520-E524 PolarHBondContact O-N 2.91Å; G521-E524 PolarHBondContact O-N 3.48Å; L522-E524 VanDerWaalsContact C-N 3.31Å; L522-E524 PolarHBondContact O-N 2.95Å |
| 525 | Q | 93.2 | Very high | 92.2 | Very high | 107 Ų | 107 | 61.6 Ų | 61.6 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 179.9 | -176.4 | -174.4 | -18.7 | 0 | 0 | 112.9 | V479 G521 L522 | V479-Q525 PolarHBondContact O-NE2 3.37Å; V479-Q525 VanDerWaalsContact O-NE2 3.12Å; G521-Q525 WeakPolarHBondContact O-CB 3.24Å; G521-Q525 PolarHBondContact O-N 2.93Å; L522-Q525 PolarHBondContact O-N 3.35Å |
| 526 | K | 92.4 | Very high | 91.9 | Very high | 36 Ų | 36 | 61.9 Ų | 61.9 | 16% | 0.157 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -80.9 | 133.6 | -176 | -65.1 | -73 | -179.9 | 173.9 | 0 | 111.2 | W484 L522 N531 K532 I535 | W484-K526 HydrophobicContact CD2-CD 4.36Å; W484-K526 HydrophobicContact CH2-CG 4.36Å; W484-K526 HydrophobicContact CZ2-CD 4.19Å; W484-K526 HydrophobicContact CZ2-CG 4.33Å; L522-K526 HydrophobicContact CD1-CD 4.39Å; L522-K526 HydrophobicContact CD1-CG 3.81Å; L522-K526 HydrophobicContact CG-CG 4.31Å; L522-K526 WeakPolarHBondContact O-CB 3.42Å; L522-K526 WeakPolarHBondContact O-CG 3.48Å; L522-K526 PolarHBondContact O-N 3.33Å; K526-N531 HydrophobicContact CB-CB 4.17Å; K526-K532 WeakPolarHBondContact O-CE 3.25Å; K526-I535 HydrophobicContact CB-CD1 3.89Å; K526-I535 HydrophobicContact CG-CD1 3.92Å |
| 527 | R | 92 | Very high | 91.8 | Very high | 219 Ų | 219 | 62.7 Ų | 62.7 | 83% | 0.826 | 32% | 0.318 | S | S | * | . | trans | -95.5 | 157 | 177.4 | -61.6 | -176.6 | -179.6 | -176.7 | -0.2 | 111 | N531 | R527-N531 PolarHBondContact O-ND2 3.29Š| ||
| 528 | G | 90.9 | Very high | 91.8 | Very high | 47 Ų | 47 | 55.6 Ų | 55.6 | 49% | 0.485 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 92.9 | 142.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K532 | G528-K532 PolarHBondContact O-N 3.01Š|
| 529 | K | 88.9 | Confident | 91.7 | Very high | 117 Ų | 117 | 53.9 Ų | 53.9 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | -178.2 | -76.1 | -163.2 | 169.1 | -151.4 | 0 | 111.6 | N531 K532 A533 E570 T571 | K529-N531 PolarHBondContact O-N 3.47Å; K529-K532 PolarHBondContact O-N 3.41Å; K529-K532 VanDerWaalsContact O-N 3.16Å; K529-A533 WeakPolarHBondContact O-CB 3.44Å; K529-A533 PolarHBondContact O-N 3.11Å; K529-E570 IonicContact NZ-OE1 3.83Å; K529-E570 PolarHBondContact NZ-OE1 2.94Å; K529-E570 VanDerWaalsContact NZ-OE1 3.16Å; K529-T571 PolarHBondContact NZ-OG1 3.26Å |
| 530 | D | 88.8 | Confident | 91.6 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.9 | -46.9 | -177.8 | -47.4 | -10 | 0 | 0 | 0 | 111.7 | W486 K532 A533 I534 H572 | W486-D530 HydrophobicContact CH2-CB 4.03Å; W486-D530 HydrophobicContact CZ2-CB 3.75Å; D530-K532 PolarHBondContact O-N 3.05Å; D530-A533 PolarHBondContact O-N 3Å; D530-I534 WeakPolarHBondContact O-CG1 3.43Å; D530-I534 PolarHBondContact O-N 3.01Å; D530-H572 IonicContact OD1-CE1 3.93Å; D530-H572 PolarHBondContact OD1-CE1 2.83Å; D530-H572 IonicContact OD1-ND1 3.74Å; D530-H572 IonicContact OD1-NE2 3.56Å |
| 531 | N | 91.1 | Very high | 91.7 | Very high | 40 Ų | 40 | 50.5 Ų | 50.5 | 21% | 0.214 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 177.6 | -69.2 | -40.3 | 0 | 0 | 0 | 111.6 | W484 W486 K526 R527 K529 A533 I534 I535 | W484-N531 HydrophobicContact CZ2-CB 4.37Å; W486-N531 PolarHBondContact NE1-OD1 3.47Å; K526-N531 HydrophobicContact CB-CB 4.17Å; R527-N531 PolarHBondContact O-ND2 3.29Å; K529-N531 PolarHBondContact O-N 3.47Å; N531-A533 VanDerWaalsContact C-N 3.34Å; N531-I534 PolarHBondContact O-N 3.35Å; N531-I535 WeakPolarHBondContact O-CD1 3.11Å; N531-I535 WeakPolarHBondContact O-CG1 3.36Å; N531-I535 PolarHBondContact O-N 2.94Å |
| 532 | K | 91.3 | Very high | 91.7 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 32% | 0.317 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.3 | -39.1 | 177.8 | -74.7 | -177.5 | 176.2 | -79.2 | 0 | 111.5 | C523 K526 G528 K529 D530 I535 A536 | C523-K532 PolarHBondContact O-NZ 3.18Å; K526-K532 WeakPolarHBondContact O-CE 3.25Å; G528-K532 PolarHBondContact O-N 3.01Å; K529-K532 PolarHBondContact O-N 3.41Å; K529-K532 VanDerWaalsContact O-N 3.16Å; D530-K532 PolarHBondContact O-N 3.05Å; K532-I535 PolarHBondContact O-N 2.98Å; K532-A536 WeakPolarHBondContact O-CB 3.3Å; K532-A536 PolarHBondContact O-N 3.35Å |
| 533 | A | 89.1 | Confident | 91.6 | Very high | 10 Ų | 10 | 49 Ų | 49 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.6 | -44.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K529 D530 N531 S537 H572 V575 | K529-A533 WeakPolarHBondContact O-CB 3.44Å; K529-A533 PolarHBondContact O-N 3.11Å; D530-A533 PolarHBondContact O-N 3Å; N531-A533 VanDerWaalsContact C-N 3.34Å; A533-S537 VanDerWaalsContact O-CB 3.31Å; A533-S537 WeakPolarHBondContact O-CB 3.23Å; A533-S537 PolarHBondContact O-N 3.18Å; A533-S537 PolarHBondContact O-OG 2.65Å; A533-H572 WeakPolarHBondContact CB-CD2 3.43Å; A533-V575 HydrophobicContact CB-CG2 3.64Å |
| 534 | I | 90.4 | Very high | 91.5 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 20% | 0.2 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -44.2 | 176.1 | -64.8 | -65 | 0 | 0 | 0 | 111.1 | W486 L489 D530 N531 S537 N538 | W486-I534 HydrophobicContact CB-CG2 4.12Å; W486-I534 HydrophobicContact CD2-CG1 4.04Å; W486-I534 HydrophobicContact CG-CG1 4.02Å; W486-I534 HydrophobicContact CG-CG2 4.2Å; L489-I534 HydrophobicContact CD2-CG2 4.3Å; D530-I534 WeakPolarHBondContact O-CG1 3.43Å; D530-I534 PolarHBondContact O-N 3.01Å; N531-I534 PolarHBondContact O-N 3.35Å; I534-S537 PolarHBondContact O-N 2.99Å; I534-N538 PolarHBondContact O-N 3.09Å; I534-N538 VanDerWaalsContact O-N 3.07Å; I534-N538 PolarHBondContact O-ND2 3.33Å |
| 535 | I | 92.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.1 | -45.9 | 178.8 | -61.2 | 159.6 | 0 | 0 | 0 | 110.7 | W484 L489 L519 L522 C523 K526 N531 K532 S537 N538 I539 | W484-I535 HydrophobicContact CH2-CD1 3.75Å; W484-I535 HydrophobicContact CH2-CG1 3.74Å; W484-I535 HydrophobicContact CZ3-CD1 4.3Å; W484-I535 HydrophobicContact CZ3-CG1 4.22Å; L489-I535 HydrophobicContact CD2-CB 4.45Å; L489-I535 HydrophobicContact CD2-CG1 3.81Å; L519-I535 WeakPolarHBondContact O-CG2 3.3Å; L522-I535 HydrophobicContact CG-CD1 4.05Å; C523-I535 HydrophobicContact CB-CB 4.34Å; C523-I535 HydrophobicContact CB-CG2 3.68Å; K526-I535 HydrophobicContact CB-CD1 3.89Å; K526-I535 HydrophobicContact CG-CD1 3.92Å; N531-I535 WeakPolarHBondContact O-CD1 3.11Å; N531-I535 WeakPolarHBondContact O-CG1 3.36Å; N531-I535 PolarHBondContact O-N 2.94Å; K532-I535 PolarHBondContact O-N 2.98Å; I535-S537 VanDerWaalsContact C-N 3.31Å; I535-S537 PolarHBondContact O-N 2.83Å; I535-N538 PolarHBondContact O-N 3.5Å; I535-I539 HydrophobicContact CG2-CD1 3.99Å; I535-I539 HydrophobicContact CG2-CG1 4.47Å; I535-I539 WeakPolarHBondContact O-CG1 3.39Å; I535-I539 PolarHBondContact O-N 3.36Å |
| 536 | A | 89.9 | Confident | 91.5 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 7% | 0.066 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K532 N538 I539 M540 F567 | K532-A536 WeakPolarHBondContact O-CB 3.3Å; K532-A536 PolarHBondContact O-N 3.35Å; A536-N538 VanDerWaalsContact C-N 3.34Å; A536-N538 PolarHBondContact O-N 3.35Å; A536-I539 PolarHBondContact O-N 3.33Å; A536-M540 HydrophobicContact CB-CE 4.41Å; A536-M540 WeakPolarHBondContact O-CB 3.3Å; A536-M540 VanDerWaalsContact O-CG 3.3Å; A536-M540 WeakPolarHBondContact O-CG 3.36Å; A536-M540 PolarHBondContact O-N 3.36Å; A536-F567 HydrophobicContact CB-CE2 4.44Å; A536-F567 HydrophobicContact CB-CZ 4.08Å |
| 537 | S | 91.4 | Very high | 91.4 | Very high | 30 Ų | 30 | 38.3 Ų | 38.3 | 21% | 0.21 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 175.9 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | A533 I534 I535 M540 Y541 M578 | A533-S537 VanDerWaalsContact O-CB 3.31Å; A533-S537 WeakPolarHBondContact O-CB 3.23Å; A533-S537 PolarHBondContact O-N 3.18Å; A533-S537 PolarHBondContact O-OG 2.65Å; I534-S537 PolarHBondContact O-N 2.99Å; I535-S537 VanDerWaalsContact C-N 3.31Å; I535-S537 PolarHBondContact O-N 2.83Å; S537-M540 PolarHBondContact O-N 3.19Å; S537-Y541 WeakPolarHBondContact O-CB 3.15Å; S537-Y541 PolarHBondContact O-N 3.06Å; S537-M578 WeakPolarHBondContact O-CE 3.47Å |
| 538 | N | 92.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.4 | -38.7 | 176.4 | -79.9 | -64.2 | 0 | 0 | 0 | 113.3 | N490 C493 I534 I535 A536 Y541 I542 | N490-N538 PolarHBondContact OD1-ND2 3.2Å; N490-N538 PolarHBondContact OD1-OD1 2.92Å; C493-N538 HydrophobicContact CB-CB 3.84Å; C493-N538 WeakPolarHBondContact CB-OD1 3.47Å; I534-N538 PolarHBondContact O-N 3.09Å; I534-N538 VanDerWaalsContact O-N 3.07Å; I534-N538 PolarHBondContact O-ND2 3.33Å; I535-N538 PolarHBondContact O-N 3.5Å; A536-N538 VanDerWaalsContact C-N 3.34Å; A536-N538 PolarHBondContact O-N 3.35Å; N538-Y541 PolarHBondContact O-N 2.89Å; N538-I542 WeakPolarHBondContact O-CG1 3.15Å; N538-I542 PolarHBondContact O-N 3.33Å |
| 539 | I | 93.6 | Very high | 91.3 | Very high | 24 Ų | 24 | 29.5 Ų | 29.5 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.5 | -48.3 | 172.5 | -66.2 | 167.7 | 0 | 0 | 0 | 109.9 | L519 L520 I535 A536 Y541 I542 V543 | L519-I539 HydrophobicContact CB-CD1 3.93Å; L519-I539 HydrophobicContact CB-CG1 3.68Å; L519-I539 HydrophobicContact CD1-CG1 4.06Å; L519-I539 HydrophobicContact CG-CG1 4.45Å; L520-I539 HydrophobicContact CD2-CD1 4.03Å; L520-I539 HydrophobicContact CG-CD1 4.39Å; I535-I539 HydrophobicContact CG2-CD1 3.99Å; I535-I539 HydrophobicContact CG2-CG1 4.47Å; I535-I539 WeakPolarHBondContact O-CG1 3.39Å; I535-I539 PolarHBondContact O-N 3.36Å; A536-I539 PolarHBondContact O-N 3.33Å; I539-Y541 VanDerWaalsContact C-N 3.3Å; I539-Y541 PolarHBondContact O-N 3.42Å; I539-I542 PolarHBondContact O-N 2.95Å; I539-V543 HydrophobicContact CG2-CG2 4.26Å; I539-V543 WeakPolarHBondContact O-CB 3.3Å; I539-V543 VanDerWaalsContact O-CG2 3.28Å; I539-V543 WeakPolarHBondContact O-CG2 3.21Å; I539-V543 PolarHBondContact O-N 3.16Å |
| 540 | M | 91.8 | Very high | 91.5 | Very high | 7 Ų | 7 | 24 Ų | 24 | 3% | 0.034 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.4 | -39 | 178 | -74.1 | -169.8 | -77 | 0 | 0 | 112 | A536 S537 G544 L564 F567 V575 M578 A579 T582 | A536-M540 HydrophobicContact CB-CE 4.41Å; A536-M540 WeakPolarHBondContact O-CB 3.3Å; A536-M540 VanDerWaalsContact O-CG 3.3Å; A536-M540 WeakPolarHBondContact O-CG 3.36Å; A536-M540 PolarHBondContact O-N 3.36Å; S537-M540 PolarHBondContact O-N 3.19Å; M540-G544 PolarHBondContact O-N 2.98Å; M540-L564 HydrophobicContact CG-CD2 3.74Å; M540-L564 HydrophobicContact SD-CD2 3.49Å; M540-L564 WeakPolarHBondContact SD-CD2 3.48Å; M540-F567 HydrophobicContact CE-CD2 4.19Å; M540-F567 HydrophobicContact CG-CD2 4.42Å; M540-F567 HydrophobicContact CG-CE2 4.45Å; M540-F567 HydrophobicContact SD-CD2 3.66Å; M540-F567 HydrophobicContact SD-CE2 4.2Å; M540-F567 HydrophobicContact SD-CG 4.48Å; M540-V575 HydrophobicContact CE-CG1 4.38Å; M540-M578 HydrophobicContact CB-CE 4.12Å; M540-M578 HydrophobicContact CB-CG 4.07Å; M540-M578 HydrophobicContact CE-CB 3.85Å; M540-M578 HydrophobicContact CE-CG 3.73Å; M540-M578 HydrophobicContact SD-CG 4.32Å; M540-A579 HydrophobicContact SD-CB 4.13Å; M540-T582 HydrophobicContact CB-CG2 4.28Å; M540-T582 WeakPolarHBondContact O-CG2 3.46Å; M540-T582 PolarHBondContact O-OG1 2.78Å |
| 541 | Y | 93 | Very high | 91.8 | Very high | 13 Ų | 13 | 25 Ų | 25 | 5% | 0.051 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.8 | -55.7 | 174.6 | 173.2 | -100.7 | 0 | 0 | 0 | 111.1 | P422 C493 W494 S537 N538 I539 V543 G544 Q545 M578 | P422-Y541 HydrophobicContact CB-CE2 4.16Å; P422-Y541 HydrophobicContact CG-CD2 4.49Å; P422-Y541 HydrophobicContact CG-CE2 3.54Å; P422-Y541 WeakPolarHBondContact CG-OH 3.44Å; C493-Y541 VanDerWaalsContact O-CE1 3.3Å; C493-Y541 WeakPolarHBondContact O-CE1 3.34Å; W494-Y541 AromaticContact CD1-CE1 3.96Å; S537-Y541 WeakPolarHBondContact O-CB 3.15Å; S537-Y541 PolarHBondContact O-N 3.06Å; N538-Y541 PolarHBondContact O-N 2.89Å; I539-Y541 VanDerWaalsContact C-N 3.3Å; I539-Y541 PolarHBondContact O-N 3.42Å; Y541-V543 VanDerWaalsContact C-N 3.35Å; Y541-V543 PolarHBondContact O-N 2.93Å; Y541-G544 PolarHBondContact O-N 3.33Å; Y541-G544 VanDerWaalsContact O-N 3.14Å; Y541-Q545 HydrophobicContact CD1-CG 4.45Å; Y541-Q545 HydrophobicContact CD2-CG 4.4Å; Y541-Q545 HydrophobicContact CE1-CG 3.98Å; Y541-Q545 HydrophobicContact CE2-CG 3.93Å; Y541-Q545 VanDerWaalsContact CE2-NE2 3.32Å; Y541-Q545 WeakPolarHBondContact O-CG 3.45Å; Y541-Q545 PolarHBondContact O-N 3.35Å; Y541-Q545 VanDerWaalsContact O-N 3.1Å; Y541-M578 VanDerWaalsContact CA-CE 3.46Å; Y541-M578 VanDerWaalsContact N-CE 3.34Å |
| 542 | I | 93.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.3 | -51.5 | -178.8 | -71.6 | 169.4 | 0 | 0 | 0 | 109.7 | C493 I496 L512 V515 L519 N538 I539 G544 Q545 Y546 | C493-I542 HydrophobicContact CB-CD1 3.84Å; C493-I542 HydrophobicContact CB-CG1 4.17Å; I496-I542 HydrophobicContact CB-CD1 4.28Å; I496-I542 HydrophobicContact CB-CG1 4.47Å; I496-I542 HydrophobicContact CD1-CD1 4.31Å; I496-I542 HydrophobicContact CG2-CD1 3.96Å; I496-I542 HydrophobicContact CG2-CG1 4.1Å; I496-I542 HydrophobicContact CG2-CG2 4.22Å; L512-I542 HydrophobicContact CD2-CG2 4.19Å; V515-I542 HydrophobicContact CG1-CD1 4Å; L519-I542 HydrophobicContact CD1-CD1 3.61Å; N538-I542 WeakPolarHBondContact O-CG1 3.15Å; N538-I542 PolarHBondContact O-N 3.33Å; I539-I542 PolarHBondContact O-N 2.95Å; I542-G544 VanDerWaalsContact C-N 3.25Å; I542-G544 PolarHBondContact O-N 3.06Å; I542-Q545 PolarHBondContact O-N 3.43Å; I542-Y546 HydrophobicContact CG2-CD2 4.04Å; I542-Y546 HydrophobicContact CG2-CE2 4.19Å; I542-Y546 VanDerWaalsContact O-CD2 3.3Å; I542-Y546 WeakPolarHBondContact O-CD2 3.47Å; I542-Y546 PolarHBondContact O-N 2.87Å |
| 543 | V | 92.1 | Very high | 92 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.9 | -38.2 | -178.5 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | I516 I539 Y541 Q545 Y546 L550 V560 I586 | I516-V543 HydrophobicContact CD1-CG2 4.24Å; I539-V543 HydrophobicContact CG2-CG2 4.26Å; I539-V543 WeakPolarHBondContact O-CB 3.3Å; I539-V543 VanDerWaalsContact O-CG2 3.28Å; I539-V543 WeakPolarHBondContact O-CG2 3.21Å; I539-V543 PolarHBondContact O-N 3.16Å; Y541-V543 VanDerWaalsContact C-N 3.35Å; Y541-V543 PolarHBondContact O-N 2.93Å; V543-Q545 VanDerWaalsContact C-N 3.28Å; V543-Q545 PolarHBondContact O-N 3.21Å; V543-Y546 PolarHBondContact O-N 2.82Å; V543-L550 HydrophobicContact CG1-CD1 3.95Å; V543-L550 HydrophobicContact CG1-CD2 3.84Å; V543-L550 HydrophobicContact CG1-CG 4.3Å; V543-V560 HydrophobicContact CG1-CB 4.42Å; V543-V560 HydrophobicContact CG1-CG1 3.66Å; V543-V560 HydrophobicContact CG1-CG2 3.97Å; V543-I586 HydrophobicContact CG1-CD1 4.34Å |
| 544 | G | 89.9 | Confident | 92.3 | Very high | 9 Ų | 9 | 25.2 Ų | 25.2 | 9% | 0.093 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.4 | -26.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | M540 Y541 I542 | M540-G544 PolarHBondContact O-N 2.98Å; Y541-G544 PolarHBondContact O-N 3.33Å; Y541-G544 VanDerWaalsContact O-N 3.14Å; I542-G544 VanDerWaalsContact C-N 3.25Å; I542-G544 PolarHBondContact O-N 3.06Å |
| 545 | Q | 91.5 | Very high | 92.6 | Very high | 48 Ų | 48 | 31.4 Ų | 31.4 | 22% | 0.224 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -82.2 | -19.2 | 178.1 | -64.2 | -53.7 | -36.3 | 0 | 0 | 113.9 | S500 Y541 I542 V543 P547 | S500-Q545 WeakPolarHBondContact CB-O 3.34Å; S500-Q545 PolarHBondContact OG-O 2.87Å; Y541-Q545 HydrophobicContact CD1-CG 4.45Å; Y541-Q545 HydrophobicContact CD2-CG 4.4Å; Y541-Q545 HydrophobicContact CE1-CG 3.98Å; Y541-Q545 HydrophobicContact CE2-CG 3.93Å; Y541-Q545 VanDerWaalsContact CE2-NE2 3.32Å; Y541-Q545 WeakPolarHBondContact O-CG 3.45Å; Y541-Q545 PolarHBondContact O-N 3.35Å; Y541-Q545 VanDerWaalsContact O-N 3.1Å; I542-Q545 PolarHBondContact O-N 3.43Å; V543-Q545 VanDerWaalsContact C-N 3.28Å; V543-Q545 PolarHBondContact O-N 3.21Å; Q545-P547 WeakPolarHBondContact O-CD 3.26Å |
| 546 | Y | 93.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | trans | -111.1 | 63.4 | -174.4 | -74.2 | -87.3 | 0 | 0 | 0 | 113.8 | I496 S500 E508 L512 I542 V543 R548 F549 L550 | I496-Y546 HydrophobicContact CG2-CE2 4.3Å; I496-Y546 WeakPolarHBondContact O-CE2 3.42Å; I496-Y546 PolarHBondContact O-OH 2.85Å; S500-Y546 WeakPolarHBondContact OG-CD1 3.05Å; S500-Y546 WeakPolarHBondContact OG-CE1 3.32Å; E508-Y546 VanDerWaalsContact CD-CD1 3.48Å; E508-Y546 HydrophobicContact CG-CD1 3.87Å; E508-Y546 HydrophobicContact CG-CE1 3.76Å; E508-Y546 WeakPolarHBondContact OE2-CE1 3.49Å; L512-Y546 HydrophobicContact CD1-CD1 3.56Å; L512-Y546 HydrophobicContact CD1-CD2 4.31Å; L512-Y546 HydrophobicContact CD1-CE1 4.13Å; L512-Y546 HydrophobicContact CD1-CG 3.62Å; L512-Y546 HydrophobicContact CD2-CD1 4.08Å; L512-Y546 HydrophobicContact CD2-CD2 3.68Å; L512-Y546 HydrophobicContact CD2-CE1 4.05Å; L512-Y546 HydrophobicContact CD2-CE2 3.72Å; L512-Y546 HydrophobicContact CD2-CG 3.87Å; L512-Y546 HydrophobicContact CG-CD1 4.23Å; L512-Y546 HydrophobicContact CG-CE1 4.34Å; L512-Y546 HydrophobicContact CG-CG 4.33Å; I542-Y546 HydrophobicContact CG2-CD2 4.04Å; I542-Y546 HydrophobicContact CG2-CE2 4.19Å; I542-Y546 VanDerWaalsContact O-CD2 3.3Å; I542-Y546 WeakPolarHBondContact O-CD2 3.47Å; I542-Y546 PolarHBondContact O-N 2.87Å; V543-Y546 PolarHBondContact O-N 2.82Å; Y546-R548 VanDerWaalsContact C-N 3.26Å; Y546-R548 PolarHBondContact O-N 3.27Å; Y546-F549 PolarHBondContact O-N 3.5Å; Y546-L550 PolarHBondContact O-N 2.94Å | ||
| 547 | P | 89.9 | Confident | 92.9 | Very high | 23 Ų | 23 | 34.1 Ų | 34.1 | 15% | 0.149 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.9 | -21.2 | -177.8 | 31.9 | -37.7 | 0 | 0 | 0 | 113.1 | Q545 L550 R551 K589 | Q545-P547 WeakPolarHBondContact O-CD 3.26Å; P547-L550 PolarHBondContact O-N 3.41Å; P547-R551 VanDerWaalsContact O-CG 3.28Å; P547-R551 WeakPolarHBondContact O-CG 3.42Å; P547-R551 PolarHBondContact O-N 2.81Å; P547-K589 HydrophobicContact CB-CB 3.48Å; P547-K589 VanDerWaalsContact CB-CB 3.48Å; P547-K589 HydrophobicContact CB-CG 4.19Å; P547-K589 HydrophobicContact CG-CB 3.97Å; P547-K589 HydrophobicContact CG-CG 4.19Å |
| 548 | R | 89 | Confident | 93.1 | Very high | 66 Ų | 66 | 34.1 Ų | 34.1 | 25% | 0.249 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.2 | -52.2 | 173.7 | 177.8 | 171.3 | 61.1 | 176.9 | -3.2 | 110.7 | M503 E505 E508 Y546 L550 R551 A552 | M503-R548 PolarHBondContact O-NH2 3.08Å; E505-R548 HydrophobicContact CG-CG 4.35Å; E508-R548 IonicContact OE1-CZ 2.8Å; E508-R548 IonicContact OE1-NE 2.89Å; E508-R548 PolarHBondContact OE1-NE 3.39Å; E508-R548 IonicContact OE1-NH2 3.57Å; E508-R548 PolarHBondContact OE1-NH2 2.8Å; E508-R548 IonicContact OE2-CZ 3.24Å; E508-R548 IonicContact OE2-NE 3.06Å; E508-R548 IonicContact OE2-NH2 3.4Å; E508-R548 PolarHBondContact OE2-NH2 3.27Å; Y546-R548 VanDerWaalsContact C-N 3.26Å; Y546-R548 PolarHBondContact O-N 3.27Å; R548-L550 VanDerWaalsContact C-N 3.33Å; R548-L550 PolarHBondContact O-N 3.02Å; R548-R551 PolarHBondContact O-N 3.33Å; R548-A552 PolarHBondContact O-N 3.17Å |
| 549 | F | 92.4 | Very high | 93.2 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.2 | -44.4 | 175.3 | 178.1 | -96.3 | 0 | 0 | 0 | 112.3 | K509 L512 V513 I516 Y546 R551 A552 H553 F556 | K509-F549 HydrophobicContact CB-CD2 4.37Å; K509-F549 HydrophobicContact CB-CE2 4.48Å; K509-F549 HydrophobicContact CG-CD2 4.33Å; K509-F549 HydrophobicContact CG-CE2 4.01Å; L512-F549 HydrophobicContact CB-CD2 4.4Å; L512-F549 HydrophobicContact CB-CE2 4.41Å; L512-F549 HydrophobicContact CD1-CB 3.61Å; L512-F549 HydrophobicContact CD1-CD1 4.27Å; L512-F549 HydrophobicContact CD1-CD2 3.9Å; L512-F549 HydrophobicContact CD1-CG 3.67Å; V513-F549 HydrophobicContact CG2-CE2 4.19Å; V513-F549 HydrophobicContact CG2-CZ 4.26Å; I516-F549 HydrophobicContact CD1-CE1 4.43Å; Y546-F549 PolarHBondContact O-N 3.5Å; F549-R551 PolarHBondContact O-N 2.9Å; F549-A552 PolarHBondContact O-N 3.06Å; F549-H553 AromaticContact CD2-CD2 3.63Å; F549-H553 AromaticContact CE2-CD2 3.45Å; F549-H553 VanDerWaalsContact CE2-CD2 3.45Å; F549-H553 WeakPolarHBondContact CE2-CD2 3.27Å; F549-H553 AromaticContact CE2-NE2 3.86Å; F549-H553 AromaticContact CZ-CD2 3.81Å; F549-H553 PolarHBondContact O-CD2 3.2Å; F549-H553 PolarHBondContact O-N 3.39Å; F549-F556 HydrophobicContact CD1-CD1 4.33Å; F549-F556 HydrophobicContact CD1-CE1 4.39Å; F549-F556 AromaticContact CE1-CD1 3.66Å; F549-F556 HydrophobicContact CE1-CD1 3.66Å; F549-F556 AromaticContact CE1-CE1 3.72Å; F549-F556 HydrophobicContact CE1-CE1 3.72Å; F549-F556 HydrophobicContact CE1-CG 4.1Å; F549-F556 HydrophobicContact CE1-CZ 4.23Å |
| 550 | L | 93.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.6 | -42.2 | 178.8 | -69.4 | -177.9 | 0 | 0 | 0 | 113 | V543 Y546 P547 R548 A552 H553 F556 L557 I586 | V543-L550 HydrophobicContact CG1-CD1 3.95Å; V543-L550 HydrophobicContact CG1-CD2 3.84Å; V543-L550 HydrophobicContact CG1-CG 4.3Å; Y546-L550 PolarHBondContact O-N 2.94Å; P547-L550 PolarHBondContact O-N 3.41Å; R548-L550 VanDerWaalsContact C-N 3.33Å; R548-L550 PolarHBondContact O-N 3.02Å; L550-A552 VanDerWaalsContact C-N 3.33Å; L550-A552 PolarHBondContact O-N 3.44Å; L550-H553 CarbonylContact O-C 3.47Å; L550-H553 PolarHBondContact O-N 3.05Å; L550-F556 HydrophobicContact CD2-CD1 3.72Å; L550-F556 HydrophobicContact CD2-CE1 3.95Å; L550-L557 HydrophobicContact CB-CD1 4.24Å; L550-L557 HydrophobicContact CD1-CD1 4.23Å; L550-L557 HydrophobicContact CD2-CB 4.49Å; L550-L557 HydrophobicContact CD2-CD1 4.44Å; L550-I586 HydrophobicContact CD1-CD1 3.96Å; L550-I586 HydrophobicContact CD1-CG1 3.87Å; L550-I586 HydrophobicContact CD1-CG2 4.33Å |
| 551 | R | 93.9 | Very high | 93.4 | Very high | 102 Ų | 102 | 37.9 Ų | 37.9 | 39% | 0.385 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.2 | -35.9 | 177.9 | -70.6 | -172.8 | -62.5 | -98.4 | -1.4 | 112.5 | P547 R548 F549 H553 K589 H593 | P547-R551 VanDerWaalsContact O-CG 3.28Å; P547-R551 WeakPolarHBondContact O-CG 3.42Å; P547-R551 PolarHBondContact O-N 2.81Å; R548-R551 PolarHBondContact O-N 3.33Å; F549-R551 PolarHBondContact O-N 2.9Å; R551-H553 VanDerWaalsContact C-N 3.26Å; R551-H553 PolarHBondContact O-N 3.39Å; R551-K589 PolarHBondContact NH1-O 3.31Å; R551-H593 WeakPolarHBondContact CG-CE1 3.34Å; R551-H593 PolarHBondContact O-NE2 2.92Å |
| 552 | A | 93.4 | Very high | 93.6 | Very high | 48 Ų | 48 | 40.5 Ų | 40.5 | 40% | 0.397 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.9 | -17.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R548 F549 L550 | R548-A552 PolarHBondContact O-N 3.17Å; F549-A552 PolarHBondContact O-N 3.06Å; L550-A552 VanDerWaalsContact C-N 3.33Å; L550-A552 PolarHBondContact O-N 3.44Å |
| 553 | H | 94.4 | Very high | 93.5 | Very high | 54 Ų | 54 | 44.5 Ų | 44.5 | 25% | 0.25 | 22% | 0.217 | C | C | . | . | trans | -132.1 | 74.3 | -169.6 | -62.9 | -48.7 | 0 | 0 | 0 | 113 | F549 L550 R551 K555 F556 L557 | F549-H553 AromaticContact CD2-CD2 3.63Å; F549-H553 AromaticContact CE2-CD2 3.45Å; F549-H553 VanDerWaalsContact CE2-CD2 3.45Å; F549-H553 WeakPolarHBondContact CE2-CD2 3.27Å; F549-H553 AromaticContact CE2-NE2 3.86Å; F549-H553 AromaticContact CZ-CD2 3.81Å; F549-H553 PolarHBondContact O-CD2 3.2Å; F549-H553 PolarHBondContact O-N 3.39Å; L550-H553 CarbonylContact O-C 3.47Å; L550-H553 PolarHBondContact O-N 3.05Å; R551-H553 VanDerWaalsContact C-N 3.26Å; R551-H553 PolarHBondContact O-N 3.39Å; H553-K555 PolarHBondContact O-N 2.93Å; H553-F556 HydrophobicContact CB-CB 3.97Å; H553-F556 WeakPolarHBondContact O-CA 3.44Å; H553-F556 WeakPolarHBondContact O-CB 3.44Å; H553-F556 PolarHBondContact O-N 2.91Å; H553-L557 PolarHBondContact O-N 3.28Å | ||
| 554 | W | 95.9 | Very high | 93.7 | Very high | 24 Ų | 24 | 44.3 Ų | 44.3 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -48.4 | -50.8 | -177.6 | 172 | -114.8 | 0 | 0 | 0 | 114.8 | F556 L557 K558 H593 Q598 E601 F605 | W554-F556 PolarHBondContact O-N 3.45Å; W554-L557 HydrophobicContact CE3-CB 4.47Å; W554-L557 HydrophobicContact CE3-CD2 3.96Å; W554-L557 HydrophobicContact CE3-CG 4.37Å; W554-L557 HydrophobicContact CZ3-CD2 3.93Å; W554-L557 HydrophobicContact CZ3-CG 4.31Å; W554-L557 WeakPolarHBondContact O-CB 3.45Å; W554-L557 PolarHBondContact O-N 3.31Å; W554-L557 VanDerWaalsContact O-N 3.11Å; W554-K558 HydrophobicContact CZ2-CB 4.13Å; W554-K558 HydrophobicContact CZ2-CD 4.07Å; W554-K558 HydrophobicContact CZ2-CG 4.3Å; W554-K558 PolarHBondContact O-N 2.83Å; W554-H593 HydrophobicContact CE3-CB 4.23Å; W554-H593 HydrophobicContact CZ3-CB 3.96Å; W554-Q598 HydrophobicContact CD2-CB 3.6Å; W554-Q598 HydrophobicContact CD2-CG 3.41Å; W554-Q598 VanDerWaalsContact CD2-CG 3.41Å; W554-Q598 VanDerWaalsContact CE2-CB 3.44Å; W554-Q598 VanDerWaalsContact CE2-CG 3.48Å; W554-Q598 HydrophobicContact CE3-CB 4.3Å; W554-Q598 HydrophobicContact CE3-CG 3.59Å; W554-Q598 HydrophobicContact CG-CB 3.68Å; W554-Q598 HydrophobicContact CG-CG 3.96Å; W554-Q598 HydrophobicContact CH2-CG 3.87Å; W554-Q598 HydrophobicContact CZ2-CB 4.02Å; W554-Q598 HydrophobicContact CZ2-CG 3.72Å; W554-Q598 HydrophobicContact CZ3-CG 3.82Å; W554-E601 HydrophobicContact CZ2-CG 4.32Å; W554-E601 PolarHBondContact NE1-OE1 2.73Å; W554-F605 HydrophobicContact CH2-CB 3.6Å; W554-F605 AromaticContact CH2-CD1 3.92Å; W554-F605 HydrophobicContact CH2-CD1 3.92Å; W554-F605 AromaticContact CH2-CG 4Å; W554-F605 HydrophobicContact CH2-CG 4Å; W554-F605 HydrophobicContact CZ2-CB 3.93Å; W554-F605 HydrophobicContact CZ2-CG 4.3Å |
| 555 | K | 95.2 | Very high | 94.1 | Very high | 170 Ų | 170 | 44.7 Ų | 44.7 | 74% | 0.739 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -57.5 | -37.9 | -179.7 | -69.7 | -174.9 | 178.5 | -178.4 | 0 | 112.1 | H553 T559 | H553-K555 PolarHBondContact O-N 2.93Å; K555-T559 WeakPolarHBondContact O-CB 3.44Å; K555-T559 PolarHBondContact O-N 2.51Å; K555-T559 VanDerWaalsContact O-N 3.09Å; K555-T559 PolarHBondContact O-OG1 3.01Å |
| 556 | F | 93.7 | Very high | 94.2 | Very high | 64 Ų | 64 | 47.6 Ų | 47.6 | 28% | 0.281 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70.1 | -46.4 | 177.1 | -171 | -88.2 | 0 | 0 | 0 | 110.7 | I516 F549 L550 H553 W554 K558 T559 V560 | I516-F556 HydrophobicContact CD1-CE1 4.38Å; I516-F556 HydrophobicContact CD1-CZ 3.9Å; I516-F556 HydrophobicContact CG2-CE2 4.44Å; I516-F556 HydrophobicContact CG2-CZ 4.14Å; F549-F556 HydrophobicContact CD1-CD1 4.33Å; F549-F556 HydrophobicContact CD1-CE1 4.39Å; F549-F556 AromaticContact CE1-CD1 3.66Å; F549-F556 HydrophobicContact CE1-CD1 3.66Å; F549-F556 AromaticContact CE1-CE1 3.72Å; F549-F556 HydrophobicContact CE1-CE1 3.72Å; F549-F556 HydrophobicContact CE1-CG 4.1Å; F549-F556 HydrophobicContact CE1-CZ 4.23Å; L550-F556 HydrophobicContact CD2-CD1 3.72Å; L550-F556 HydrophobicContact CD2-CE1 3.95Å; H553-F556 HydrophobicContact CB-CB 3.97Å; H553-F556 WeakPolarHBondContact O-CA 3.44Å; H553-F556 WeakPolarHBondContact O-CB 3.44Å; H553-F556 PolarHBondContact O-N 2.91Å; W554-F556 PolarHBondContact O-N 3.45Å; F556-K558 PolarHBondContact O-N 3.23Å; F556-T559 PolarHBondContact O-N 3.26Å; F556-V560 HydrophobicContact CD1-CG2 3.78Å; F556-V560 HydrophobicContact CE1-CG2 3.39Å; F556-V560 HydrophobicContact CZ-CG2 3.91Å; F556-V560 WeakPolarHBondContact O-CG2 3.45Å; F556-V560 PolarHBondContact O-N 3.16Å |
| 557 | L | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.3 | -49.7 | 174.4 | 172.7 | 58.4 | 0 | 0 | 0 | 112.1 | L550 H553 W554 T559 V560 V561 I586 C590 H593 F594 | L550-L557 HydrophobicContact CB-CD1 4.24Å; L550-L557 HydrophobicContact CD1-CD1 4.23Å; L550-L557 HydrophobicContact CD2-CB 4.49Å; L550-L557 HydrophobicContact CD2-CD1 4.44Å; H553-L557 PolarHBondContact O-N 3.28Å; W554-L557 HydrophobicContact CE3-CB 4.47Å; W554-L557 HydrophobicContact CE3-CD2 3.96Å; W554-L557 HydrophobicContact CE3-CG 4.37Å; W554-L557 HydrophobicContact CZ3-CD2 3.93Å; W554-L557 HydrophobicContact CZ3-CG 4.31Å; W554-L557 WeakPolarHBondContact O-CB 3.45Å; W554-L557 PolarHBondContact O-N 3.31Å; W554-L557 VanDerWaalsContact O-N 3.11Å; L557-T559 VanDerWaalsContact C-N 3.32Å; L557-T559 PolarHBondContact O-N 2.85Å; L557-V560 PolarHBondContact O-N 3.25Å; L557-V561 HydrophobicContact CD1-CG2 3.98Å; L557-V561 WeakPolarHBondContact O-CG2 3.32Å; L557-V561 PolarHBondContact O-N 2.91Å; L557-I586 HydrophobicContact CD1-CG2 3.52Å; L557-C590 HydrophobicContact CD2-CB 4.13Å; L557-H593 HydrophobicContact CD2-CB 4.05Å; L557-F594 HydrophobicContact CD1-CZ 4.42Å |
| 558 | K | 96.6 | Very high | 94.6 | Very high | 31 Ų | 31 | 48.3 Ų | 48.3 | 14% | 0.135 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.2 | -43.7 | 177.4 | -169.1 | 176.8 | -171.6 | 179.1 | 0 | 111.4 | W554 F556 V561 N562 E601 F605 E608 | W554-K558 HydrophobicContact CZ2-CB 4.13Å; W554-K558 HydrophobicContact CZ2-CD 4.07Å; W554-K558 HydrophobicContact CZ2-CG 4.3Å; W554-K558 PolarHBondContact O-N 2.83Å; F556-K558 PolarHBondContact O-N 3.23Å; K558-V561 PolarHBondContact O-N 3.42Å; K558-N562 PolarHBondContact O-N 3.41Å; K558-E601 WeakPolarHBondContact CD-OE1 3.3Å; K558-E601 VanDerWaalsContact NZ-CD 3.33Å; K558-E601 IonicContact NZ-OE1 2.82Å; K558-E601 PolarHBondContact NZ-OE1 3.35Å; K558-E601 IonicContact NZ-OE2 2.74Å; K558-E601 PolarHBondContact NZ-OE2 2.98Å; K558-F605 HydrophobicContact CD-CE2 4.48Å; K558-F605 HydrophobicContact CG-CD2 4.5Å; K558-F605 HydrophobicContact CG-CE1 4.3Å; K558-F605 HydrophobicContact CG-CE2 4.18Å; K558-F605 HydrophobicContact CG-CZ 4.09Å; K558-E608 IonicContact NZ-OE2 3.78Å; K558-E608 PolarHBondContact NZ-OE2 2.96Å |
| 559 | T | 94.6 | Very high | 94.9 | Very high | 92 Ų | 92 | 48.3 Ų | 48.3 | 56% | 0.564 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -62.3 | -45.5 | 178.1 | -57.4 | 0 | 0 | 0 | 0 | 112 | K555 F556 L557 N562 K563 | K555-T559 WeakPolarHBondContact O-CB 3.44Å; K555-T559 PolarHBondContact O-N 2.51Å; K555-T559 VanDerWaalsContact O-N 3.09Å; K555-T559 PolarHBondContact O-OG1 3.01Å; F556-T559 PolarHBondContact O-N 3.26Å; L557-T559 VanDerWaalsContact C-N 3.32Å; L557-T559 PolarHBondContact O-N 2.85Å; T559-N562 PolarHBondContact O-N 3.46Å; T559-K563 PolarHBondContact O-N 2.64Å |
| 560 | V | 93.3 | Very high | 94.9 | Very high | 21 Ų | 21 | 50.5 Ų | 50.5 | 13% | 0.127 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.5 | -49.5 | 176.6 | 167.4 | 0 | 0 | 0 | 0 | 110.3 | V543 F556 L557 N562 K563 L564 I586 | V543-V560 HydrophobicContact CG1-CB 4.42Å; V543-V560 HydrophobicContact CG1-CG1 3.66Å; V543-V560 HydrophobicContact CG1-CG2 3.97Å; F556-V560 HydrophobicContact CD1-CG2 3.78Å; F556-V560 HydrophobicContact CE1-CG2 3.39Å; F556-V560 HydrophobicContact CZ-CG2 3.91Å; F556-V560 WeakPolarHBondContact O-CG2 3.45Å; F556-V560 PolarHBondContact O-N 3.16Å; L557-V560 PolarHBondContact O-N 3.25Å; V560-N562 VanDerWaalsContact C-N 3.35Å; V560-N562 PolarHBondContact O-N 3.06Å; V560-K563 CarbonylContact O-C 3.44Å; V560-K563 WeakPolarHBondContact O-CA 3.42Å; V560-K563 WeakPolarHBondContact O-CB 3.3Å; V560-K563 PolarHBondContact O-N 3.13Å; V560-L564 HydrophobicContact CG1-CD1 4.27Å; V560-L564 HydrophobicContact CG1-CG 4.41Å; V560-L564 WeakPolarHBondContact O-CG 3.47Å; V560-L564 PolarHBondContact O-N 3.36Å; V560-I586 HydrophobicContact CG1-CD1 3.8Å |
| 561 | V | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | -177.8 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | L557 K558 K563 L564 F565 F583 I586 F594 F605 | L557-V561 HydrophobicContact CD1-CG2 3.98Å; L557-V561 WeakPolarHBondContact O-CG2 3.32Å; L557-V561 PolarHBondContact O-N 2.91Å; K558-V561 PolarHBondContact O-N 3.42Å; V561-K563 VanDerWaalsContact C-N 3.27Å; V561-K563 PolarHBondContact O-N 3.14Å; V561-L564 WeakPolarHBondContact O-CB 3.4Å; V561-L564 PolarHBondContact O-N 3.37Å; V561-L564 VanDerWaalsContact O-N 3.12Å; V561-F565 HydrophobicContact CG1-CD2 4.33Å; V561-F565 HydrophobicContact CG1-CE1 3.92Å; V561-F565 HydrophobicContact CG1-CE2 3.6Å; V561-F565 HydrophobicContact CG1-CZ 3.36Å; V561-F565 WeakPolarHBondContact O-CG 3.3Å; V561-F565 PolarHBondContact O-N 3.32Å; V561-F583 HydrophobicContact CG1-CD2 4.18Å; V561-F583 HydrophobicContact CG1-CE2 3.76Å; V561-I586 HydrophobicContact CG2-CG2 4.23Å; V561-F594 HydrophobicContact CG1-CE1 4.43Å; V561-F594 HydrophobicContact CG2-CE1 4.09Å; V561-F594 HydrophobicContact CG2-CZ 3.98Å; V561-F605 HydrophobicContact CB-CE1 4.04Å; V561-F605 HydrophobicContact CG1-CE1 3.67Å; V561-F605 HydrophobicContact CG1-CZ 4.19Å |
| 562 | N | 96.1 | Very high | 94.5 | Very high | 68 Ų | 68 | 53.2 Ų | 53.2 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.4 | -37.3 | 173.5 | -75.7 | -15.2 | 0 | 0 | 0 | 112.4 | K558 T559 V560 F565 E566 F605 | K558-N562 PolarHBondContact O-N 3.41Å; T559-N562 PolarHBondContact O-N 3.46Å; V560-N562 VanDerWaalsContact C-N 3.35Å; V560-N562 PolarHBondContact O-N 3.06Å; N562-F565 PolarHBondContact O-N 3Å; N562-E566 PolarHBondContact O-N 3.38Å; N562-F605 WeakPolarHBondContact OD1-CZ 3.41Å |
| 563 | K | 93.1 | Very high | 93.9 | Very high | 85 Ų | 85 | 58.1 Ų | 58.1 | 37% | 0.37 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.9 | -35 | 175.4 | -163.8 | 72.5 | -163.6 | 172.9 | 0 | 112.3 | T559 V560 V561 F565 E566 F567 | T559-K563 PolarHBondContact O-N 2.64Å; V560-K563 CarbonylContact O-C 3.44Å; V560-K563 WeakPolarHBondContact O-CA 3.42Å; V560-K563 WeakPolarHBondContact O-CB 3.3Å; V560-K563 PolarHBondContact O-N 3.13Å; V561-K563 VanDerWaalsContact C-N 3.27Å; V561-K563 PolarHBondContact O-N 3.14Å; K563-F565 VanDerWaalsContact C-N 3.32Å; K563-E566 WeakPolarHBondContact CD-OE2 3.26Å; K563-E566 WeakPolarHBondContact CE-OE2 3.45Å; K563-E566 IonicContact NZ-OE1 3.16Å; K563-E566 PolarHBondContact NZ-OE1 3.02Å; K563-E566 IonicContact NZ-OE2 2.69Å; K563-E566 PolarHBondContact NZ-OE2 3.11Å; K563-E566 WeakPolarHBondContact O-CB 3.22Å; K563-E566 PolarHBondContact O-N 3.47Å; K563-F567 HydrophobicContact CD-CE2 4.48Å; K563-F567 HydrophobicContact CD-CZ 4.29Å; K563-F567 VanDerWaalsContact CE-CZ 3.48Å; K563-F567 HydrophobicContact CG-CD2 4.11Å; K563-F567 HydrophobicContact CG-CE2 3.55Å; K563-F567 HydrophobicContact CG-CZ 3.82Å; K563-F567 VanDerWaalsContact O-CD2 3.27Å; K563-F567 WeakPolarHBondContact O-CD2 3.43Å; K563-F567 WeakPolarHBondContact O-CG 3.41Å; K563-F567 PolarHBondContact O-N 2.99Å |
| 564 | L | 95.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 172.3 | -63.1 | 174.8 | 0 | 0 | 0 | 111 | M540 V560 V561 E566 F567 M568 A579 T582 F583 I586 | M540-L564 HydrophobicContact CG-CD2 3.74Å; M540-L564 HydrophobicContact SD-CD2 3.49Å; M540-L564 WeakPolarHBondContact SD-CD2 3.48Å; V560-L564 HydrophobicContact CG1-CD1 4.27Å; V560-L564 HydrophobicContact CG1-CG 4.41Å; V560-L564 WeakPolarHBondContact O-CG 3.47Å; V560-L564 PolarHBondContact O-N 3.36Å; V561-L564 WeakPolarHBondContact O-CB 3.4Å; V561-L564 PolarHBondContact O-N 3.37Å; V561-L564 VanDerWaalsContact O-N 3.12Å; L564-E566 VanDerWaalsContact C-N 3.32Å; L564-E566 PolarHBondContact O-N 2.77Å; L564-F567 PolarHBondContact O-N 2.95Å; L564-M568 WeakPolarHBondContact O-CG 3.33Å; L564-M568 PolarHBondContact O-N 3.16Å; L564-A579 HydrophobicContact CD2-CB 4.48Å; L564-T582 HydrophobicContact CD1-CG2 3.89Å; L564-T582 HydrophobicContact CD2-CG2 3.97Å; L564-F583 HydrophobicContact CD1-CB 4.07Å; L564-F583 HydrophobicContact CD1-CD2 4.42Å; L564-I586 HydrophobicContact CD1-CD1 3.87Å |
| 565 | F | 97.7 | Very high | 93.2 | Very high | 18 Ų | 18 | 56.3 Ų | 56.3 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62 | -39.4 | 173.7 | -59 | -26.5 | 0 | 0 | 0 | 112 | V561 N562 K563 F567 M568 H569 F583 F605 I609 I616 F628 | V561-F565 HydrophobicContact CG1-CD2 4.33Å; V561-F565 HydrophobicContact CG1-CE1 3.92Å; V561-F565 HydrophobicContact CG1-CE2 3.6Å; V561-F565 HydrophobicContact CG1-CZ 3.36Å; V561-F565 WeakPolarHBondContact O-CG 3.3Å; V561-F565 PolarHBondContact O-N 3.32Å; N562-F565 PolarHBondContact O-N 3Å; K563-F565 VanDerWaalsContact C-N 3.32Å; F565-F567 PolarHBondContact O-N 3.34Å; F565-M568 HydrophobicContact CD1-CE 4.2Å; F565-M568 HydrophobicContact CD1-SD 3.95Å; F565-M568 WeakPolarHBondContact O-CB 3.48Å; F565-M568 PolarHBondContact O-N 3.3Å; F565-H569 PolarHBondContact O-CD2 2.87Å; F565-F583 HydrophobicContact CE1-CD2 4.01Å; F565-F583 HydrophobicContact CE1-CE1 4.18Å; F565-F583 AromaticContact CE1-CE2 3.55Å; F565-F583 HydrophobicContact CE1-CE2 3.55Å; F565-F583 AromaticContact CE1-CZ 3.65Å; F565-F583 HydrophobicContact CE1-CZ 3.65Å; F565-F583 AromaticContact CZ-CE2 3.79Å; F565-F583 HydrophobicContact CZ-CE2 3.79Å; F565-F583 AromaticContact CZ-CZ 3.92Å; F565-F583 HydrophobicContact CZ-CZ 3.92Å; F565-F605 HydrophobicContact CE2-CZ 4.23Å; F565-I609 HydrophobicContact CE2-CD1 4.47Å; F565-I609 HydrophobicContact CE2-CG1 4Å; F565-I609 HydrophobicContact CZ-CD1 4.01Å; F565-I609 HydrophobicContact CZ-CG1 3.9Å; F565-I609 HydrophobicContact CZ-CG2 4.35Å; F565-I616 HydrophobicContact CB-CG1 4.38Å; F565-I616 HydrophobicContact CB-CG2 4.12Å; F565-I616 HydrophobicContact CD1-CD1 4.39Å; F565-I616 HydrophobicContact CD1-CG2 3.63Å; F565-I616 HydrophobicContact CD2-CD1 3.94Å; F565-I616 HydrophobicContact CD2-CG1 4.33Å; F565-I616 HydrophobicContact CE1-CD1 4.43Å; F565-I616 HydrophobicContact CE1-CG2 4.24Å; F565-I616 HydrophobicContact CE2-CD1 3.97Å; F565-I616 HydrophobicContact CG-CD1 4.16Å; F565-I616 HydrophobicContact CG-CG1 4.2Å; F565-I616 HydrophobicContact CG-CG2 3.95Å; F565-I616 HydrophobicContact CZ-CD1 4.22Å; F565-F628 HydrophobicContact CD1-CE2 4.31Å; F565-F628 AromaticContact CE1-CE2 3.82Å; F565-F628 HydrophobicContact CE1-CE2 3.82Å |
| 566 | E | 94.8 | Very high | 93.2 | Very high | 109 Ų | 109 | 49.5 Ų | 49.5 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 172.7 | -168 | -171.6 | 141.3 | 0 | 0 | 112.1 | N562 K563 L564 M568 H569 | N562-E566 PolarHBondContact O-N 3.38Å; K563-E566 WeakPolarHBondContact CD-OE2 3.26Å; K563-E566 WeakPolarHBondContact CE-OE2 3.45Å; K563-E566 IonicContact NZ-OE1 3.16Å; K563-E566 PolarHBondContact NZ-OE1 3.02Å; K563-E566 IonicContact NZ-OE2 2.69Å; K563-E566 PolarHBondContact NZ-OE2 3.11Å; K563-E566 WeakPolarHBondContact O-CB 3.22Å; K563-E566 PolarHBondContact O-N 3.47Å; L564-E566 VanDerWaalsContact C-N 3.32Å; L564-E566 PolarHBondContact O-N 2.77Å; E566-M568 PolarHBondContact O-N 3.36Å; E566-H569 WeakPolarHBondContact O-CB 3.28Å; E566-H569 PolarHBondContact O-N 2.88Å |
| 567 | F | 94.3 | Very high | 93.1 | Very high | 42 Ų | 42 | 48.2 Ų | 48.2 | 18% | 0.184 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.4 | -18.4 | 177.9 | -67.6 | -39.2 | 0 | 0 | 0 | 114.1 | A536 M540 K563 L564 F565 H569 E570 V575 A579 | A536-F567 HydrophobicContact CB-CE2 4.44Å; A536-F567 HydrophobicContact CB-CZ 4.08Å; M540-F567 HydrophobicContact CE-CD2 4.19Å; M540-F567 HydrophobicContact CG-CD2 4.42Å; M540-F567 HydrophobicContact CG-CE2 4.45Å; M540-F567 HydrophobicContact SD-CD2 3.66Å; M540-F567 HydrophobicContact SD-CE2 4.2Å; M540-F567 HydrophobicContact SD-CG 4.48Å; K563-F567 HydrophobicContact CD-CE2 4.48Å; K563-F567 HydrophobicContact CD-CZ 4.29Å; K563-F567 VanDerWaalsContact CE-CZ 3.48Å; K563-F567 HydrophobicContact CG-CD2 4.11Å; K563-F567 HydrophobicContact CG-CE2 3.55Å; K563-F567 HydrophobicContact CG-CZ 3.82Å; K563-F567 VanDerWaalsContact O-CD2 3.27Å; K563-F567 WeakPolarHBondContact O-CD2 3.43Å; K563-F567 WeakPolarHBondContact O-CG 3.41Å; K563-F567 PolarHBondContact O-N 2.99Å; L564-F567 PolarHBondContact O-N 2.95Å; F565-F567 PolarHBondContact O-N 3.34Å; F567-H569 PolarHBondContact O-N 2.97Å; F567-E570 PolarHBondContact O-N 3.22Å; F567-E570 VanDerWaalsContact O-N 3.13Å; F567-V575 HydrophobicContact CB-CG1 4.04Å; F567-V575 HydrophobicContact CD1-CG1 4.34Å; F567-V575 HydrophobicContact CG-CG1 4.33Å; F567-A579 HydrophobicContact CB-CB 3.84Å |
| 568 | M | 96.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14.2 | 169.5 | -70.2 | 172.1 | -174.4 | 0 | 0 | 112.5 | L564 F565 E566 Q576 A579 F583 I616 L620 F628 | L564-M568 WeakPolarHBondContact O-CG 3.33Å; L564-M568 PolarHBondContact O-N 3.16Å; F565-M568 HydrophobicContact CD1-CE 4.2Å; F565-M568 HydrophobicContact CD1-SD 3.95Å; F565-M568 WeakPolarHBondContact O-CB 3.48Å; F565-M568 PolarHBondContact O-N 3.3Å; E566-M568 PolarHBondContact O-N 3.36Å; M568-Q576 PolarHBondContact O-NE2 3.47Å; M568-A579 HydrophobicContact CG-CB 4.15Å; M568-F583 HydrophobicContact CE-CB 3.89Å; M568-F583 HydrophobicContact CE-CD1 3.98Å; M568-F583 HydrophobicContact CE-CG 4.01Å; M568-I616 HydrophobicContact SD-CG2 3.7Å; M568-L620 HydrophobicContact CB-CD1 4.31Å; M568-L620 HydrophobicContact CB-CD2 3.73Å; M568-L620 HydrophobicContact CB-CG 4.16Å; M568-L620 HydrophobicContact CG-CD1 4.2Å; M568-L620 HydrophobicContact CG-CD2 3.99Å; M568-L620 HydrophobicContact CG-CG 4.5Å; M568-L620 WeakPolarHBondContact O-CD2 3.21Å; M568-L620 HydrophobicContact SD-CD1 4.05Å; M568-F628 HydrophobicContact CE-CD2 3.94Å; M568-F628 HydrophobicContact CE-CE2 4.46Å; M568-F628 HydrophobicContact SD-CD2 3.94Å; M568-F628 HydrophobicContact SD-CE2 4.24Å |
| 569 | H | 95.7 | Very high | 92.7 | Very high | 66 Ų | 66 | 48.5 Ų | 48.5 | 31% | 0.306 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 0.2 | 173.5 | -58.4 | -72.6 | 0 | 0 | 0 | 113.9 | F565 E566 F567 T571 T615 C618 D619 | F565-H569 PolarHBondContact O-CD2 2.87Å; E566-H569 WeakPolarHBondContact O-CB 3.28Å; E566-H569 PolarHBondContact O-N 2.88Å; F567-H569 PolarHBondContact O-N 2.97Å; H569-T571 PolarHBondContact O-N 3.36Å; H569-T615 PolarHBondContact CE1-O 3.35Å; H569-T615 PolarHBondContact NE2-O 3.4Å; H569-C618 VanDerWaalsContact CE1-SG 3.58Å; H569-D619 IonicContact CE1-OD2 3.02Å; H569-D619 IonicContact CG-OD2 2.7Å; H569-D619 IonicContact ND1-OD2 3.77Å; H569-D619 PolarHBondContact ND1-OD2 2.99Å |
| 570 | E | 92.6 | Very high | 92.8 | Very high | 61 Ų | 61 | 44.1 Ų | 44.1 | 29% | 0.285 | 23% | 0.232 | S | C | . | . | trans | -77.8 | 126.5 | 180 | 179.3 | 56.7 | -109.1 | 0 | 0 | 111.1 | K529 F567 H572 V575 Q576 | K529-E570 IonicContact NZ-OE1 3.83Å; K529-E570 PolarHBondContact NZ-OE1 2.94Å; K529-E570 VanDerWaalsContact NZ-OE1 3.16Å; F567-E570 PolarHBondContact O-N 3.22Å; F567-E570 VanDerWaalsContact O-N 3.13Å; E570-H572 VanDerWaalsContact C-N 3.27Å; E570-H572 HydrophobicContact CG-CB 3.97Å; E570-H572 PolarHBondContact O-N 3.1Å; E570-H572 PolarHBondContact OE1-N 2.89Å; E570-V575 HydrophobicContact CB-CB 4.28Å; E570-V575 HydrophobicContact CB-CG1 3.84Å; E570-V575 HydrophobicContact CG-CB 4.13Å; E570-V575 HydrophobicContact CG-CG1 3.99Å; E570-V575 HydrophobicContact CG-CG2 4.31Å; E570-Q576 VanDerWaalsContact O-CG 3.23Å; E570-Q576 WeakPolarHBondContact O-CG 3.41Å | ||
| 571 | T | 89.9 | Confident | 92.8 | Very high | 108 Ų | 108 | 43.8 Ų | 43.8 | 66% | 0.663 | 23% | 0.229 | S | C | * | . | trans | -73.8 | -9.9 | -178.5 | 54.2 | 0 | 0 | 0 | 0 | 115.2 | K529 H569 | K529-T571 PolarHBondContact NZ-OG1 3.26Å; H569-T571 PolarHBondContact O-N 3.36Å | ||
| 572 | H | 87.8 | Confident | 92.7 | Very high | 54 Ų | 54 | 43.9 Ų | 43.9 | 25% | 0.25 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -77.6 | 129.7 | -178.3 | -168 | 79.2 | 0 | 0 | 0 | 111.3 | D530 A533 E570 G574 V575 | D530-H572 IonicContact OD1-CE1 3.93Å; D530-H572 PolarHBondContact OD1-CE1 2.83Å; D530-H572 IonicContact OD1-ND1 3.74Å; D530-H572 IonicContact OD1-NE2 3.56Å; A533-H572 WeakPolarHBondContact CB-CD2 3.43Å; E570-H572 VanDerWaalsContact C-N 3.27Å; E570-H572 HydrophobicContact CG-CB 3.97Å; E570-H572 PolarHBondContact O-N 3.1Å; E570-H572 PolarHBondContact OE1-N 2.89Å; H572-G574 PolarHBondContact O-N 2.91Å; H572-V575 HydrophobicContact CB-CG2 4.05Å; H572-V575 WeakPolarHBondContact O-CB 3.3Å; H572-V575 PolarHBondContact O-N 3.43Å; H572-V575 VanDerWaalsContact O-N 3.16Å |
| 573 | D | 82.1 | Confident | 92.8 | Very high | 150 Ų | 150 | 40.6 Ų | 40.6 | 80% | 0.802 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 133.8 | -175.6 | -66.1 | -18.8 | 0 | 0 | 0 | 112.3 | V575 | D573-V575 VanDerWaalsContact C-N 3.28Å; D573-V575 PolarHBondContact O-N 3.34Å |
| 574 | G | 84.8 | Confident | 93 | Very high | 37 Ų | 37 | 37.6 Ų | 37.6 | 38% | 0.381 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -15.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | H572 D577 M578 | H572-G574 PolarHBondContact O-N 2.91Å; G574-D577 WeakPolarHBondContact O-CB 3.49Å; G574-M578 WeakPolarHBondContact O-CB 3.25Å; G574-M578 PolarHBondContact O-N 3.37Å |
| 575 | V | 90.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.5 | -46.3 | 179.8 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | A533 M540 F567 E570 H572 D573 D577 M578 A579 | A533-V575 HydrophobicContact CB-CG2 3.64Å; M540-V575 HydrophobicContact CE-CG1 4.38Å; F567-V575 HydrophobicContact CB-CG1 4.04Å; F567-V575 HydrophobicContact CD1-CG1 4.34Å; F567-V575 HydrophobicContact CG-CG1 4.33Å; E570-V575 HydrophobicContact CB-CB 4.28Å; E570-V575 HydrophobicContact CB-CG1 3.84Å; E570-V575 HydrophobicContact CG-CB 4.13Å; E570-V575 HydrophobicContact CG-CG1 3.99Å; E570-V575 HydrophobicContact CG-CG2 4.31Å; H572-V575 HydrophobicContact CB-CG2 4.05Å; H572-V575 WeakPolarHBondContact O-CB 3.3Å; H572-V575 PolarHBondContact O-N 3.43Å; H572-V575 VanDerWaalsContact O-N 3.16Å; D573-V575 VanDerWaalsContact C-N 3.28Å; D573-V575 PolarHBondContact O-N 3.34Å; V575-D577 VanDerWaalsContact C-N 3.28Å; V575-D577 PolarHBondContact O-N 3.21Å; V575-M578 PolarHBondContact O-N 2.94Å; V575-A579 WeakPolarHBondContact O-CB 3.22Å; V575-A579 PolarHBondContact O-N 3.06Å |
| 576 | Q | 94.2 | Very high | 92.9 | Very high | 27 Ų | 27 | 38.5 Ų | 38.5 | 13% | 0.126 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.8 | -40 | 176.4 | -64.1 | 179.1 | -46.9 | 0 | 0 | 111.8 | M568 E570 A579 C580 D619 L620 | M568-Q576 PolarHBondContact O-NE2 3.47Å; E570-Q576 VanDerWaalsContact O-CG 3.23Å; E570-Q576 WeakPolarHBondContact O-CG 3.41Å; Q576-A579 PolarHBondContact O-N 3.37Å; Q576-C580 PolarHBondContact O-N 2.92Å; Q576-C580 PolarHBondContact O-SG 2.97Å; Q576-D619 PolarHBondContact NE2-O 3.49Å; Q576-L620 HydrophobicContact CB-CD2 4.06Å; Q576-L620 HydrophobicContact CG-CD2 4.32Å |
| 577 | D | 91.4 | Very high | 93 | Very high | 38 Ų | 38 | 33.3 Ų | 33.3 | 20% | 0.203 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.2 | -51.3 | 175.9 | -82.4 | -29.8 | 0 | 0 | 0 | 111.2 | R437 G574 V575 A579 C580 D581 Q624 | R437-D577 IonicContact CZ-OD1 3.27Å; R437-D577 IonicContact CZ-OD2 3.85Å; R437-D577 IonicContact NE-OD2 2.62Å; R437-D577 IonicContact NH1-OD1 2.76Å; R437-D577 PolarHBondContact NH1-OD1 2.84Å; R437-D577 IonicContact NH1-OD2 3.52Å; G574-D577 WeakPolarHBondContact O-CB 3.49Å; V575-D577 VanDerWaalsContact C-N 3.28Å; V575-D577 PolarHBondContact O-N 3.21Å; D577-A579 VanDerWaalsContact C-N 3.29Å; D577-A579 PolarHBondContact O-N 3.01Å; D577-C580 PolarHBondContact O-N 2.98Å; D577-D581 WeakPolarHBondContact O-CB 3.36Å; D577-D581 PolarHBondContact O-N 2.92Å; D577-Q624 WeakPolarHBondContact OD1-CG 3.4Å; D577-Q624 PolarHBondContact OD1-NE2 3.1Å |
| 578 | M | 90.4 | Very high | 93 | Very high | 36 Ų | 36 | 34.5 Ų | 34.5 | 18% | 0.177 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -36.9 | 178 | -168.9 | 63.3 | -166.2 | 0 | 0 | 111.9 | S537 M540 Y541 G574 V575 D581 T582 | S537-M578 WeakPolarHBondContact O-CE 3.47Å; M540-M578 HydrophobicContact CB-CE 4.12Å; M540-M578 HydrophobicContact CB-CG 4.07Å; M540-M578 HydrophobicContact CE-CB 3.85Å; M540-M578 HydrophobicContact CE-CG 3.73Å; M540-M578 HydrophobicContact SD-CG 4.32Å; Y541-M578 VanDerWaalsContact CA-CE 3.46Å; Y541-M578 VanDerWaalsContact N-CE 3.34Å; G574-M578 WeakPolarHBondContact O-CB 3.25Å; G574-M578 PolarHBondContact O-N 3.37Å; V575-M578 PolarHBondContact O-N 2.94Å; M578-D581 PolarHBondContact O-N 3.43Å; M578-T582 VanDerWaalsContact O-CB 3.32Å; M578-T582 WeakPolarHBondContact O-CB 3.42Å; M578-T582 PolarHBondContact O-N 3.04Å; M578-T582 PolarHBondContact O-OG1 3.38Å |
| 579 | A | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M540 L564 F567 M568 V575 Q576 D577 F583 | M540-A579 HydrophobicContact SD-CB 4.13Å; L564-A579 HydrophobicContact CD2-CB 4.48Å; F567-A579 HydrophobicContact CB-CB 3.84Å; M568-A579 HydrophobicContact CG-CB 4.15Å; V575-A579 WeakPolarHBondContact O-CB 3.22Å; V575-A579 PolarHBondContact O-N 3.06Å; Q576-A579 PolarHBondContact O-N 3.37Å; D577-A579 VanDerWaalsContact C-N 3.29Å; D577-A579 PolarHBondContact O-N 3.01Å; A579-F583 WeakPolarHBondContact O-CB 3.14Å; A579-F583 PolarHBondContact O-N 3.19Å |
| 580 | C | 96.2 | Very high | 93 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.4 | -43.7 | 176.5 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | Q576 D577 F583 I584 T627 | Q576-C580 PolarHBondContact O-N 2.92Å; Q576-C580 PolarHBondContact O-SG 2.97Å; D577-C580 PolarHBondContact O-N 2.98Å; C580-F583 PolarHBondContact O-N 2.93Å; C580-I584 WeakPolarHBondContact O-CG2 3.34Å; C580-I584 PolarHBondContact O-N 3.4Å; C580-T627 HydrophobicContact CB-CG2 4.03Å |
| 581 | D | 93.3 | Very high | 93.2 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 8% | 0.075 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 179.9 | -70.1 | -19.7 | 0 | 0 | 0 | 111.5 | R437 D577 M578 I584 K585 | R437-D581 IonicContact CZ-OD2 2.87Å; R437-D581 IonicContact NH1-OD2 3.32Å; R437-D581 PolarHBondContact NH1-OD2 2.9Å; R437-D581 IonicContact NH2-OD2 3.91Å; R437-D581 PolarHBondContact NH2-OD2 3.08Å; D577-D581 WeakPolarHBondContact O-CB 3.36Å; D577-D581 PolarHBondContact O-N 2.92Å; M578-D581 PolarHBondContact O-N 3.43Å; D581-I584 WeakPolarHBondContact O-CG2 3.34Å; D581-K585 WeakPolarHBondContact O-CD 3.32Å; D581-K585 VanDerWaalsContact O-CG 3.3Å; D581-K585 WeakPolarHBondContact O-CG 3.21Å; D581-K585 PolarHBondContact O-N 3.28Å |
| 582 | T | 94.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.9 | -40.6 | 171.9 | -70.2 | 0 | 0 | 0 | 0 | 111.5 | M540 L564 M578 I584 K585 I586 | M540-T582 HydrophobicContact CB-CG2 4.28Å; M540-T582 WeakPolarHBondContact O-CG2 3.46Å; M540-T582 PolarHBondContact O-OG1 2.78Å; L564-T582 HydrophobicContact CD1-CG2 3.89Å; L564-T582 HydrophobicContact CD2-CG2 3.97Å; M578-T582 VanDerWaalsContact O-CB 3.32Å; M578-T582 WeakPolarHBondContact O-CB 3.42Å; M578-T582 PolarHBondContact O-N 3.04Å; M578-T582 PolarHBondContact O-OG1 3.38Å; T582-I584 PolarHBondContact O-N 3.21Å; T582-K585 PolarHBondContact O-N 3.28Å; T582-I586 HydrophobicContact CG2-CD1 3.81Å; T582-I586 HydrophobicContact CG2-CG1 4.27Å; T582-I586 WeakPolarHBondContact O-CG1 3.31Å; T582-I586 PolarHBondContact O-N 2.62Å |
| 583 | F | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 179.8 | -180 | -120.6 | 0 | 0 | 0 | 111.9 | V561 L564 F565 M568 A579 C580 K585 I586 A587 F628 A631 V632 M635 | V561-F583 HydrophobicContact CG1-CD2 4.18Å; V561-F583 HydrophobicContact CG1-CE2 3.76Å; L564-F583 HydrophobicContact CD1-CB 4.07Å; L564-F583 HydrophobicContact CD1-CD2 4.42Å; F565-F583 HydrophobicContact CE1-CD2 4.01Å; F565-F583 HydrophobicContact CE1-CE1 4.18Å; F565-F583 AromaticContact CE1-CE2 3.55Å; F565-F583 HydrophobicContact CE1-CE2 3.55Å; F565-F583 AromaticContact CE1-CZ 3.65Å; F565-F583 HydrophobicContact CE1-CZ 3.65Å; F565-F583 AromaticContact CZ-CE2 3.79Å; F565-F583 HydrophobicContact CZ-CE2 3.79Å; F565-F583 AromaticContact CZ-CZ 3.92Å; F565-F583 HydrophobicContact CZ-CZ 3.92Å; M568-F583 HydrophobicContact CE-CB 3.89Å; M568-F583 HydrophobicContact CE-CD1 3.98Å; M568-F583 HydrophobicContact CE-CG 4.01Å; A579-F583 WeakPolarHBondContact O-CB 3.14Å; A579-F583 PolarHBondContact O-N 3.19Å; C580-F583 PolarHBondContact O-N 2.93Å; F583-K585 PolarHBondContact O-N 3.5Å; F583-I586 PolarHBondContact O-N 3.49Å; F583-A587 VanDerWaalsContact O-CB 3.3Å; F583-A587 WeakPolarHBondContact O-CB 3.49Å; F583-A587 PolarHBondContact O-N 2.9Å; F583-F628 AromaticContact CD1-CD2 3.85Å; F583-F628 HydrophobicContact CD1-CD2 3.85Å; F583-F628 HydrophobicContact CD1-CE2 4.23Å; F583-F628 AromaticContact CE1-CD2 3.56Å; F583-F628 HydrophobicContact CE1-CD2 3.56Å; F583-F628 AromaticContact CE1-CE2 3.58Å; F583-F628 HydrophobicContact CE1-CE2 3.58Å; F583-F628 HydrophobicContact CE1-CG 4.33Å; F583-F628 HydrophobicContact CE1-CZ 4.38Å; F583-F628 HydrophobicContact CZ-CE2 4.13Å; F583-A631 HydrophobicContact CD1-CB 3.49Å; F583-A631 VanDerWaalsContact CD1-CB 3.49Å; F583-A631 HydrophobicContact CE1-CB 3.52Å; F583-A631 HydrophobicContact CG-CB 4.37Å; F583-A631 HydrophobicContact CZ-CB 4.41Å; F583-V632 HydrophobicContact CE1-CG2 4.14Å; F583-V632 HydrophobicContact CZ-CG2 4.28Å; F583-M635 HydrophobicContact CE1-CE 4.47Å; F583-M635 HydrophobicContact CE2-CE 3.62Å; F583-M635 HydrophobicContact CZ-CE 3.5Å |
| 584 | I | 97.1 | Very high | 94.8 | Very high | 21 Ų | 21 | 34.8 Ų | 34.8 | 11% | 0.108 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 176.7 | -169.2 | 172.2 | 0 | 0 | 0 | 112.3 | C580 D581 T582 A587 Q588 T627 E630 A631 Y634 | C580-I584 WeakPolarHBondContact O-CG2 3.34Å; C580-I584 PolarHBondContact O-N 3.4Å; D581-I584 WeakPolarHBondContact O-CG2 3.34Å; T582-I584 PolarHBondContact O-N 3.21Å; I584-A587 PolarHBondContact O-N 3.41Å; I584-Q588 HydrophobicContact CG1-CG 4.48Å; I584-Q588 WeakPolarHBondContact O-CB 3.31Å; I584-Q588 VanDerWaalsContact O-CG 3.28Å; I584-Q588 WeakPolarHBondContact O-CG 3.42Å; I584-Q588 PolarHBondContact O-N 3.4Å; I584-T627 HydrophobicContact CB-CG2 4.12Å; I584-T627 HydrophobicContact CD1-CG2 4.15Å; I584-T627 HydrophobicContact CG2-CG2 3.98Å; I584-E630 HydrophobicContact CD1-CB 3.88Å; I584-E630 HydrophobicContact CD1-CG 3.96Å; I584-A631 HydrophobicContact CB-CB 3.85Å; I584-A631 HydrophobicContact CG1-CB 4.04Å; I584-Y634 HydrophobicContact CD1-CE2 4.13Å; I584-Y634 HydrophobicContact CG1-CD2 4.33Å; I584-Y634 HydrophobicContact CG1-CE2 4.03Å |
| 585 | K | 94.6 | Very high | 95.4 | Very high | 38 Ų | 38 | 33.6 Ų | 33.6 | 17% | 0.165 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.9 | -47 | 175 | -74.5 | 170 | -177.6 | 169.2 | 0 | 111.4 | E423 D581 T582 F583 Q588 K589 | E423-K585 WeakPolarHBondContact OE1-CE 3.23Å; E423-K585 IonicContact OE1-NZ 3Å; E423-K585 PolarHBondContact OE1-NZ 3.45Å; E423-K585 IonicContact OE2-NZ 3.97Å; E423-K585 PolarHBondContact OE2-NZ 3.02Å; D581-K585 WeakPolarHBondContact O-CD 3.32Å; D581-K585 VanDerWaalsContact O-CG 3.3Å; D581-K585 WeakPolarHBondContact O-CG 3.21Å; D581-K585 PolarHBondContact O-N 3.28Å; T582-K585 PolarHBondContact O-N 3.28Å; F583-K585 PolarHBondContact O-N 3.5Å; K585-Q588 PolarHBondContact O-N 3.49Å; K585-K589 VanDerWaalsContact O-CG 3.3Å; K585-K589 WeakPolarHBondContact O-CG 3.2Å; K585-K589 PolarHBondContact O-N 2.88Å; K585-K589 VanDerWaalsContact O-N 3.1Å |
| 586 | I | 96.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -46.6 | 177.1 | -67.7 | 177.3 | 0 | 0 | 0 | 110.4 | V543 L550 L557 V560 V561 L564 T582 F583 Q588 K589 C590 F594 | V543-I586 HydrophobicContact CG1-CD1 4.34Å; L550-I586 HydrophobicContact CD1-CD1 3.96Å; L550-I586 HydrophobicContact CD1-CG1 3.87Å; L550-I586 HydrophobicContact CD1-CG2 4.33Å; L557-I586 HydrophobicContact CD1-CG2 3.52Å; V560-I586 HydrophobicContact CG1-CD1 3.8Å; V561-I586 HydrophobicContact CG2-CG2 4.23Å; L564-I586 HydrophobicContact CD1-CD1 3.87Å; T582-I586 HydrophobicContact CG2-CD1 3.81Å; T582-I586 HydrophobicContact CG2-CG1 4.27Å; T582-I586 WeakPolarHBondContact O-CG1 3.31Å; T582-I586 PolarHBondContact O-N 2.62Å; F583-I586 PolarHBondContact O-N 3.49Å; I586-Q588 VanDerWaalsContact C-N 3.34Å; I586-Q588 PolarHBondContact O-N 3.4Å; I586-K589 PolarHBondContact O-N 3.37Å; I586-C590 HydrophobicContact CG2-CB 4.35Å; I586-C590 WeakPolarHBondContact O-CA 3.26Å; I586-C590 VanDerWaalsContact O-CB 3.23Å; I586-C590 WeakPolarHBondContact O-CB 3.32Å; I586-C590 PolarHBondContact O-N 3.25Å; I586-F594 HydrophobicContact CG2-CE2 4.43Å; I586-F594 HydrophobicContact CG2-CZ 4.13Å |
| 587 | A | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.6 | -46.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F583 I584 K589 R591 A631 M635 | F583-A587 VanDerWaalsContact O-CB 3.3Å; F583-A587 WeakPolarHBondContact O-CB 3.49Å; F583-A587 PolarHBondContact O-N 2.9Å; I584-A587 PolarHBondContact O-N 3.41Å; A587-K589 PolarHBondContact O-N 3.19Å; A587-R591 WeakPolarHBondContact O-CA 3.44Å; A587-R591 WeakPolarHBondContact O-CB 3.36Å; A587-R591 PolarHBondContact O-N 3.36Å; A587-A631 HydrophobicContact CB-CB 3.87Å; A587-A631 VanDerWaalsContact CB-O 3.3Å; A587-A631 WeakPolarHBondContact CB-O 3.36Å; A587-M635 HydrophobicContact CB-CE 3.51Å; A587-M635 HydrophobicContact CB-CG 4.25Å |
| 588 | Q | 94.3 | Very high | 96.1 | Very high | 68 Ų | 68 | 41.1 Ų | 41.1 | 32% | 0.318 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.7 | -46.6 | 176.6 | -74 | 173.5 | -10.5 | 0 | 0 | 112.9 | I584 K585 I586 Y634 | I584-Q588 HydrophobicContact CG1-CG 4.48Å; I584-Q588 WeakPolarHBondContact O-CB 3.31Å; I584-Q588 VanDerWaalsContact O-CG 3.28Å; I584-Q588 WeakPolarHBondContact O-CG 3.42Å; I584-Q588 PolarHBondContact O-N 3.4Å; K585-Q588 PolarHBondContact O-N 3.49Å; I586-Q588 VanDerWaalsContact C-N 3.34Å; I586-Q588 PolarHBondContact O-N 3.4Å; Q588-Y634 HydrophobicContact CG-CD1 4.11Å; Q588-Y634 HydrophobicContact CG-CD2 3.38Å; Q588-Y634 HydrophobicContact CG-CE1 4.18Å; Q588-Y634 HydrophobicContact CG-CE2 3.47Å; Q588-Y634 VanDerWaalsContact CG-CE2 3.47Å; Q588-Y634 HydrophobicContact CG-CG 3.73Å; Q588-Y634 VanDerWaalsContact NE2-CZ 3.28Å; Q588-Y634 PolarHBondContact NE2-OH 3.26Å |
| 589 | K | 94 | Very high | 96.3 | Very high | 127 Ų | 127 | 46 Ų | 46 | 55% | 0.552 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -85 | -17.9 | -172.4 | -59.4 | -65.2 | -177.5 | -179.1 | 0 | 114.1 | P547 R551 K585 I586 A587 | P547-K589 HydrophobicContact CB-CB 3.48Å; P547-K589 VanDerWaalsContact CB-CB 3.48Å; P547-K589 HydrophobicContact CB-CG 4.19Å; P547-K589 HydrophobicContact CG-CB 3.97Å; P547-K589 HydrophobicContact CG-CG 4.19Å; R551-K589 PolarHBondContact NH1-O 3.31Å; K585-K589 VanDerWaalsContact O-CG 3.3Å; K585-K589 WeakPolarHBondContact O-CG 3.2Å; K585-K589 PolarHBondContact O-N 2.88Å; K585-K589 VanDerWaalsContact O-N 3.1Å; I586-K589 PolarHBondContact O-N 3.37Å; A587-K589 PolarHBondContact O-N 3.19Å |
| 590 | C | 97.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -121.2 | 3.8 | -177.3 | -60 | 0 | 0 | 0 | 0 | 113.9 | L557 I586 R592 H593 F594 | L557-C590 HydrophobicContact CD2-CB 4.13Å; I586-C590 HydrophobicContact CG2-CB 4.35Å; I586-C590 WeakPolarHBondContact O-CA 3.26Å; I586-C590 VanDerWaalsContact O-CB 3.23Å; I586-C590 WeakPolarHBondContact O-CB 3.32Å; I586-C590 PolarHBondContact O-N 3.25Å; C590-R592 VanDerWaalsContact C-N 3.25Å; C590-R592 PolarHBondContact O-N 2.7Å; C590-H593 WeakPolarHBondContact O-CB 3.47Å; C590-H593 PolarHBondContact O-N 2.92Å; C590-H593 PolarHBondContact O-ND1 2.71Å; C590-F594 HydrophobicContact CB-CE2 3.99Å |
| 591 | R | 97.8 | Very high | 96.3 | Very high | 117 Ų | 117 | 52.4 Ų | 52.4 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -34.3 | -44.2 | -175.2 | 53.7 | -172.2 | 177.5 | 168.9 | -1.5 | 117.1 | A587 H593 F594 Y634 A638 | A587-R591 WeakPolarHBondContact O-CA 3.44Å; A587-R591 WeakPolarHBondContact O-CB 3.36Å; A587-R591 PolarHBondContact O-N 3.36Å; R591-H593 VanDerWaalsContact C-N 3.28Å; R591-H593 PolarHBondContact O-N 3.47Å; R591-F594 PolarHBondContact O-N 2.74Å; R591-Y634 VanDerWaalsContact CB-O 3.31Å; R591-Y634 WeakPolarHBondContact CB-O 3.4Å; R591-A638 HydrophobicContact CB-CB 3.75Å; R591-A638 HydrophobicContact CG-CB 3.77Å |
| 592 | R | 97.3 | Very high | 96.4 | Very high | 166 Ų | 166 | 58.5 Ų | 58.5 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.7 | -31.6 | -179.8 | -68.4 | -175.9 | 178.8 | 172.5 | -0.6 | 113.9 | C590 F594 V595 Q596 A638 | C590-R592 VanDerWaalsContact C-N 3.25Å; C590-R592 PolarHBondContact O-N 2.7Å; R592-F594 PolarHBondContact O-N 2.91Å; R592-V595 WeakPolarHBondContact O-CG2 3.19Å; R592-V595 PolarHBondContact O-N 3.44Å; R592-Q596 WeakPolarHBondContact O-CG 3.32Å; R592-Q596 PolarHBondContact O-N 3.36Å; R592-A638 HydrophobicContact CG-CB 4.39Å |
| 593 | H | 97.9 | Very high | 96.5 | Very high | 32 Ų | 32 | 62.4 Ų | 62.4 | 15% | 0.148 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.6 | -21 | -178.2 | -63.7 | 69.1 | 0 | 0 | 0 | 112.2 | R551 W554 L557 C590 R591 Q598 | R551-H593 WeakPolarHBondContact CG-CE1 3.34Å; R551-H593 PolarHBondContact O-NE2 2.92Å; W554-H593 HydrophobicContact CE3-CB 4.23Å; W554-H593 HydrophobicContact CZ3-CB 3.96Å; L557-H593 HydrophobicContact CD2-CB 4.05Å; C590-H593 WeakPolarHBondContact O-CB 3.47Å; C590-H593 PolarHBondContact O-N 2.92Å; C590-H593 PolarHBondContact O-ND1 2.71Å; R591-H593 VanDerWaalsContact C-N 3.28Å; R591-H593 PolarHBondContact O-N 3.47Å; H593-Q598 PolarHBondContact O-NE2 3.39Å |
| 594 | F | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -81.3 | -28.5 | 179.5 | -65.5 | -84.8 | 0 | 0 | 0 | 112.8 | L557 V561 I586 C590 R591 R592 P604 F605 I606 I609 M635 | L557-F594 HydrophobicContact CD1-CZ 4.42Å; V561-F594 HydrophobicContact CG1-CE1 4.43Å; V561-F594 HydrophobicContact CG2-CE1 4.09Å; V561-F594 HydrophobicContact CG2-CZ 3.98Å; I586-F594 HydrophobicContact CG2-CE2 4.43Å; I586-F594 HydrophobicContact CG2-CZ 4.13Å; C590-F594 HydrophobicContact CB-CE2 3.99Å; R591-F594 PolarHBondContact O-N 2.74Å; R592-F594 PolarHBondContact O-N 2.91Å; F594-P604 WeakPolarHBondContact O-CB 3.32Å; F594-F605 AromaticContact CD1-CD1 3.65Å; F594-F605 HydrophobicContact CD1-CD1 3.65Å; F594-F605 HydrophobicContact CD1-CE1 4.38Å; F594-F605 AromaticContact CE1-CD1 3.75Å; F594-F605 HydrophobicContact CE1-CD1 3.75Å; F594-F605 HydrophobicContact CE1-CE1 4.08Å; F594-F605 PolarHBondContact O-N 3.13Å; F594-I606 WeakPolarHBondContact O-CB 3.31Å; F594-I606 WeakPolarHBondContact O-CG2 3.31Å; F594-I606 PolarHBondContact O-N 2.93Å; F594-I609 HydrophobicContact CD1-CD1 4.08Å; F594-I609 HydrophobicContact CE1-CD1 4.35Å; F594-M635 HydrophobicContact CB-CB 4.04Å; F594-M635 HydrophobicContact CB-CG 3.95Å; F594-M635 HydrophobicContact CB-SD 3.72Å; F594-M635 HydrophobicContact CD1-CE 3.71Å; F594-M635 HydrophobicContact CD1-SD 3.55Å; F594-M635 VanDerWaalsContact CD1-SD 3.55Å; F594-M635 HydrophobicContact CD2-CE 3.94Å; F594-M635 HydrophobicContact CD2-CG 3.91Å; F594-M635 HydrophobicContact CD2-SD 3.92Å; F594-M635 HydrophobicContact CE1-CE 3.61Å; F594-M635 HydrophobicContact CE1-SD 4.11Å; F594-M635 HydrophobicContact CE2-CE 3.83Å; F594-M635 HydrophobicContact CE2-SD 4.42Å; F594-M635 HydrophobicContact CG-CE 3.89Å; F594-M635 HydrophobicContact CG-CG 3.9Å; F594-M635 HydrophobicContact CG-SD 3.45Å; F594-M635 WeakPolarHBondContact CG-SD 3.2Å; F594-M635 HydrophobicContact CZ-CE 3.67Å |
| 595 | V | 97.8 | Very high | 96.5 | Very high | 12 Ų | 12 | 62.8 Ų | 62.8 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -97.4 | -18.1 | -176.9 | -62.7 | 0 | 0 | 0 | 0 | 113.9 | R592 P604 I606 M635 A638 Q639 | R592-V595 WeakPolarHBondContact O-CG2 3.19Å; R592-V595 PolarHBondContact O-N 3.44Å; V595-P604 WeakPolarHBondContact O-CG 3.17Å; V595-I606 HydrophobicContact CG1-CG2 4.34Å; V595-M635 WeakPolarHBondContact CG1-O 3.35Å; V595-A638 HydrophobicContact CG2-CB 4.27Å; V595-Q639 HydrophobicContact CB-CB 4.38Å; V595-Q639 HydrophobicContact CG1-CB 4.12Å |
| 596 | Q | 96.2 | Very high | 96.7 | Very high | 111 Ų | 111 | 61 Ų | 61 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -92.1 | 142.5 | 174.7 | -67.5 | 177.8 | -13.5 | 0 | 0 | 110.6 | R592 Q598 | R592-Q596 WeakPolarHBondContact O-CG 3.32Å; R592-Q596 PolarHBondContact O-N 3.36Å; Q596-Q598 PolarHBondContact O-N 3.03Å; Q596-Q598 PolarHBondContact O-NE2 3.27Å |
| 597 | V | 97.3 | Very high | 96.7 | Very high | 86 Ų | 86 | 63.2 Ų | 63.2 | 52% | 0.521 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 120.1 | 170.8 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | E601 P604 | V597-E601 VanDerWaalsContact CG1-O 3.28Å; V597-E601 WeakPolarHBondContact CG1-O 3.09Å; V597-P604 HydrophobicContact CG2-CG 3.9Å |
| 598 | Q | 97.4 | Very high | 96.7 | Very high | 30 Ų | 30 | 65.9 Ų | 65.9 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 159.4 | -176.3 | -61.2 | -68.4 | -45.7 | 0 | 0 | 111.2 | W554 H593 Q596 G600 E601 | W554-Q598 HydrophobicContact CD2-CB 3.6Å; W554-Q598 HydrophobicContact CD2-CG 3.41Å; W554-Q598 VanDerWaalsContact CD2-CG 3.41Å; W554-Q598 VanDerWaalsContact CE2-CB 3.44Å; W554-Q598 VanDerWaalsContact CE2-CG 3.48Å; W554-Q598 HydrophobicContact CE3-CB 4.3Å; W554-Q598 HydrophobicContact CE3-CG 3.59Å; W554-Q598 HydrophobicContact CG-CB 3.68Å; W554-Q598 HydrophobicContact CG-CG 3.96Å; W554-Q598 HydrophobicContact CH2-CG 3.87Å; W554-Q598 HydrophobicContact CZ2-CB 4.02Å; W554-Q598 HydrophobicContact CZ2-CG 3.72Å; W554-Q598 HydrophobicContact CZ3-CG 3.82Å; H593-Q598 PolarHBondContact O-NE2 3.39Å; Q596-Q598 PolarHBondContact O-N 3.03Å; Q596-Q598 PolarHBondContact O-NE2 3.27Å; Q598-G600 PolarHBondContact O-N 2.95Å; Q598-G600 VanDerWaalsContact O-N 3.15Å; Q598-E601 HydrophobicContact CB-CG 4.08Å; Q598-E601 WeakPolarHBondContact O-CB 3.43Å; Q598-E601 PolarHBondContact O-N 3.36Å |
| 599 | V | 94.9 | Very high | 96.9 | Very high | 137 Ų | 137 | 62.7 Ų | 62.7 | 83% | 0.83 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 119.8 | -178.3 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 600 | G | 94.4 | Very high | 97.1 | Very high | 80 Ų | 80 | 57.1 Ų | 57.1 | 83% | 0.825 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | 4.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q598 | Q598-G600 PolarHBondContact O-N 2.95Å; Q598-G600 VanDerWaalsContact O-N 3.15Å |
| 601 | E | 96.6 | Very high | 97.1 | Very high | 57 Ų | 57 | 60.6 Ų | 60.6 | 27% | 0.266 | 33% | 0.33 | S | S | . | . | trans | -108.5 | 150.9 | 174.4 | -55.3 | -68.3 | 164.9 | 0 | 0 | 110.5 | W554 K558 V597 Q598 | W554-E601 HydrophobicContact CZ2-CG 4.32Å; W554-E601 PolarHBondContact NE1-OE1 2.73Å; K558-E601 WeakPolarHBondContact CD-OE1 3.3Å; K558-E601 VanDerWaalsContact NZ-CD 3.33Å; K558-E601 IonicContact NZ-OE1 2.82Å; K558-E601 PolarHBondContact NZ-OE1 3.35Å; K558-E601 IonicContact NZ-OE2 2.74Å; K558-E601 PolarHBondContact NZ-OE2 2.98Å; V597-E601 VanDerWaalsContact CG1-O 3.28Å; V597-E601 WeakPolarHBondContact CG1-O 3.09Å; Q598-E601 HydrophobicContact CB-CG 4.08Å; Q598-E601 WeakPolarHBondContact O-CB 3.43Å; Q598-E601 PolarHBondContact O-N 3.36Å | ||
| 602 | V | 95.6 | Very high | 97.1 | Very high | 142 Ų | 142 | 58.2 Ų | 58.2 | 86% | 0.861 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -95.4 | -19.8 | 179.6 | -64 | 0 | 0 | 0 | 0 | 113.4 | ||
| 603 | M | 95.3 | Very high | 97.1 | Very high | 83 Ų | 83 | 50.5 Ų | 50.5 | 41% | 0.409 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -143.5 | 158.1 | -179.9 | 64.7 | -175.2 | 178.1 | 0 | 0 | 110.1 | D607 E608 | M603-D607 HydrophobicContact SD-CB 4.24Å; M603-E608 HydrophobicContact CE-CB 4.08Å; M603-E608 HydrophobicContact CE-CG 4.43Å |
| 604 | P | 97.4 | Very high | 97 | Very high | 24 Ų | 24 | 54 Ų | 54 | 16% | 0.156 | 32% | 0.318 | C | S | . | . | trans | -57.4 | 142.9 | 170.1 | -24.1 | 36.5 | 0 | 0 | 0 | 111.7 | F594 V595 V597 I606 D607 | F594-P604 WeakPolarHBondContact O-CB 3.32Å; V595-P604 WeakPolarHBondContact O-CG 3.17Å; V597-P604 HydrophobicContact CG2-CG 3.9Å; P604-I606 HydrophobicContact CB-CG2 3.86Å; P604-I606 PolarHBondContact O-N 3.36Å; P604-D607 WeakPolarHBondContact CD-OD2 3.19Å; P604-D607 PolarHBondContact O-N 3.04Å; P604-D607 VanDerWaalsContact O-N 3.17Å | ||
| 605 | F | 98.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.2 | -23 | -177.1 | -172.5 | -138.1 | 0 | 0 | 0 | 112.9 | W554 K558 V561 N562 F565 F594 D607 E608 I609 | W554-F605 HydrophobicContact CH2-CB 3.6Å; W554-F605 AromaticContact CH2-CD1 3.92Å; W554-F605 HydrophobicContact CH2-CD1 3.92Å; W554-F605 AromaticContact CH2-CG 4Å; W554-F605 HydrophobicContact CH2-CG 4Å; W554-F605 HydrophobicContact CZ2-CB 3.93Å; W554-F605 HydrophobicContact CZ2-CG 4.3Å; K558-F605 HydrophobicContact CD-CE2 4.48Å; K558-F605 HydrophobicContact CG-CD2 4.5Å; K558-F605 HydrophobicContact CG-CE1 4.3Å; K558-F605 HydrophobicContact CG-CE2 4.18Å; K558-F605 HydrophobicContact CG-CZ 4.09Å; V561-F605 HydrophobicContact CB-CE1 4.04Å; V561-F605 HydrophobicContact CG1-CE1 3.67Å; V561-F605 HydrophobicContact CG1-CZ 4.19Å; N562-F605 WeakPolarHBondContact OD1-CZ 3.41Å; F565-F605 HydrophobicContact CE2-CZ 4.23Å; F594-F605 AromaticContact CD1-CD1 3.65Å; F594-F605 HydrophobicContact CD1-CD1 3.65Å; F594-F605 HydrophobicContact CD1-CE1 4.38Å; F594-F605 AromaticContact CE1-CD1 3.75Å; F594-F605 HydrophobicContact CE1-CD1 3.75Å; F594-F605 HydrophobicContact CE1-CE1 4.08Å; F594-F605 PolarHBondContact O-N 3.13Å; F605-D607 PolarHBondContact O-N 3.48Å; F605-E608 HydrophobicContact CD2-CB 3.87Å; F605-E608 HydrophobicContact CD2-CG 4.37Å; F605-E608 WeakPolarHBondContact CD2-OE2 3.5Å; F605-E608 HydrophobicContact CE2-CB 4.15Å; F605-E608 HydrophobicContact CE2-CG 4.24Å; F605-E608 WeakPolarHBondContact CE2-OE2 3.49Å; F605-E608 WeakPolarHBondContact O-CB 3.46Å; F605-E608 PolarHBondContact O-N 3.39Å; F605-I609 HydrophobicContact CD1-CD1 4.01Å; F605-I609 HydrophobicContact CE1-CD1 3.99Å; F605-I609 HydrophobicContact CE1-CG1 4.32Å; F605-I609 HydrophobicContact CE2-CG1 4.49Å; F605-I609 HydrophobicContact CG-CD1 4.49Å; F605-I609 HydrophobicContact CZ-CD1 4.47Å; F605-I609 HydrophobicContact CZ-CG1 4.3Å; F605-I609 WeakPolarHBondContact O-CG1 3.34Å; F605-I609 PolarHBondContact O-N 2.88Å; F605-I609 VanDerWaalsContact O-N 3.12Å |
| 606 | I | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.3 | -37.1 | 172.7 | -174 | 58.7 | 0 | 0 | 0 | 112.1 | F594 V595 P604 E608 I609 L610 V632 M635 I636 L648 | F594-I606 WeakPolarHBondContact O-CB 3.31Å; F594-I606 WeakPolarHBondContact O-CG2 3.31Å; F594-I606 PolarHBondContact O-N 2.93Å; V595-I606 HydrophobicContact CG1-CG2 4.34Å; P604-I606 HydrophobicContact CB-CG2 3.86Å; P604-I606 PolarHBondContact O-N 3.36Å; I606-E608 VanDerWaalsContact C-N 3.33Å; I606-E608 PolarHBondContact O-N 3.4Å; I606-I609 PolarHBondContact O-N 3.37Å; I606-L610 HydrophobicContact CD1-CD2 4.23Å; I606-L610 HydrophobicContact CD1-CG 4.07Å; I606-L610 HydrophobicContact CG1-CD1 4.17Å; I606-L610 HydrophobicContact CG1-CG 4.13Å; I606-L610 VanDerWaalsContact O-CG 3.3Å; I606-L610 WeakPolarHBondContact O-CG 3.46Å; I606-L610 PolarHBondContact O-N 2.92Å; I606-V632 HydrophobicContact CD1-CG1 3.76Å; I606-M635 HydrophobicContact CD1-CB 4.09Å; I606-M635 HydrophobicContact CD1-SD 4.04Å; I606-I636 HydrophobicContact CD1-CG1 4.32Å; I606-I636 HydrophobicContact CG1-CG1 4.45Å; I606-L648 HydrophobicContact CG1-CD2 4.36Å; I606-L648 HydrophobicContact CG2-CD1 4.44Å; I606-L648 HydrophobicContact CG2-CD2 4.22Å |
| 607 | D | 97.6 | Very high | 97 | Very high | 47 Ų | 47 | 53.5 Ų | 53.5 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.2 | -35.2 | -179.8 | -69.3 | -55.1 | 0 | 0 | 0 | 112.5 | M603 P604 F605 S611 | M603-D607 HydrophobicContact SD-CB 4.24Å; P604-D607 WeakPolarHBondContact CD-OD2 3.19Å; P604-D607 PolarHBondContact O-N 3.04Å; P604-D607 VanDerWaalsContact O-N 3.17Å; F605-D607 PolarHBondContact O-N 3.48Å; D607-S611 WeakPolarHBondContact O-CB 3.45Å; D607-S611 PolarHBondContact O-N 3.04Å; D607-S611 VanDerWaalsContact O-N 3.12Å; D607-S611 PolarHBondContact O-OG 3.34Å |
| 608 | E | 97.4 | Very high | 96.9 | Very high | 57 Ų | 57 | 53.1 Ų | 53.1 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 173.5 | -163.8 | 179.3 | 150.4 | 0 | 0 | 110.3 | K558 M603 F605 I606 S611 N612 | K558-E608 IonicContact NZ-OE2 3.78Å; K558-E608 PolarHBondContact NZ-OE2 2.96Å; M603-E608 HydrophobicContact CE-CB 4.08Å; M603-E608 HydrophobicContact CE-CG 4.43Å; F605-E608 HydrophobicContact CD2-CB 3.87Å; F605-E608 HydrophobicContact CD2-CG 4.37Å; F605-E608 WeakPolarHBondContact CD2-OE2 3.5Å; F605-E608 HydrophobicContact CE2-CB 4.15Å; F605-E608 HydrophobicContact CE2-CG 4.24Å; F605-E608 WeakPolarHBondContact CE2-OE2 3.49Å; F605-E608 WeakPolarHBondContact O-CB 3.46Å; F605-E608 PolarHBondContact O-N 3.39Å; I606-E608 VanDerWaalsContact C-N 3.33Å; I606-E608 PolarHBondContact O-N 3.4Å; E608-S611 PolarHBondContact O-N 3.27Å; E608-N612 PolarHBondContact O-N 3.48Å; E608-N612 PolarHBondContact O-ND2 3.44Å |
| 609 | I | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.5 | -50.3 | 178.1 | -62.2 | 169.6 | 0 | 0 | 0 | 110.4 | F565 F594 F605 I606 S611 N612 I613 I616 F628 V632 M635 | F565-I609 HydrophobicContact CE2-CD1 4.47Å; F565-I609 HydrophobicContact CE2-CG1 4Å; F565-I609 HydrophobicContact CZ-CD1 4.01Å; F565-I609 HydrophobicContact CZ-CG1 3.9Å; F565-I609 HydrophobicContact CZ-CG2 4.35Å; F594-I609 HydrophobicContact CD1-CD1 4.08Å; F594-I609 HydrophobicContact CE1-CD1 4.35Å; F605-I609 HydrophobicContact CD1-CD1 4.01Å; F605-I609 HydrophobicContact CE1-CD1 3.99Å; F605-I609 HydrophobicContact CE1-CG1 4.32Å; F605-I609 HydrophobicContact CE2-CG1 4.49Å; F605-I609 HydrophobicContact CG-CD1 4.49Å; F605-I609 HydrophobicContact CZ-CD1 4.47Å; F605-I609 HydrophobicContact CZ-CG1 4.3Å; F605-I609 WeakPolarHBondContact O-CG1 3.34Å; F605-I609 PolarHBondContact O-N 2.88Å; F605-I609 VanDerWaalsContact O-N 3.12Å; I606-I609 PolarHBondContact O-N 3.37Å; I609-S611 PolarHBondContact O-N 3.31Å; I609-N612 CarbonylContact O-C 3.6Å; I609-N612 PolarHBondContact O-N 2.97Å; I609-I613 WeakPolarHBondContact O-CG1 3.34Å; I609-I613 PolarHBondContact O-N 3.43Å; I609-I613 VanDerWaalsContact O-N 3.08Å; I609-I616 HydrophobicContact CG2-CD1 4.44Å; I609-F628 HydrophobicContact CG2-CZ 4.08Å; I609-V632 HydrophobicContact CG2-CG2 4.15Å; I609-M635 HydrophobicContact CD1-CE 4.34Å; I609-M635 HydrophobicContact CD1-SD 4.04Å |
| 610 | L | 98 | Very high | 97 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.2 | -30.9 | -178.3 | -67.2 | -173.7 | 0 | 0 | 0 | 112.8 | I606 N612 I613 V632 L648 K651 Y652 | I606-L610 HydrophobicContact CD1-CD2 4.23Å; I606-L610 HydrophobicContact CD1-CG 4.07Å; I606-L610 HydrophobicContact CG1-CD1 4.17Å; I606-L610 HydrophobicContact CG1-CG 4.13Å; I606-L610 VanDerWaalsContact O-CG 3.3Å; I606-L610 WeakPolarHBondContact O-CG 3.46Å; I606-L610 PolarHBondContact O-N 2.92Å; L610-N612 VanDerWaalsContact C-N 3.3Å; L610-I613 HydrophobicContact CD2-CD1 3.75Å; L610-V632 HydrophobicContact CD2-CG1 3.83Å; L610-L648 HydrophobicContact CD1-CB 4.35Å; L610-L648 HydrophobicContact CD1-CD2 3.62Å; L610-K651 HydrophobicContact CB-CD 3.87Å; L610-K651 HydrophobicContact CB-CG 4.14Å; L610-K651 HydrophobicContact CD1-CB 4.29Å; L610-K651 HydrophobicContact CD1-CD 4.26Å; L610-K651 HydrophobicContact CD1-CG 4.42Å; L610-Y652 HydrophobicContact CD2-CD2 4.15Å; L610-Y652 HydrophobicContact CD2-CG 4.43Å |
| 611 | S | 97.1 | Very high | 97 | Very high | 74 Ų | 74 | 52.1 Ų | 52.1 | 52% | 0.517 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -74.3 | -21.9 | 177.1 | -53.3 | 0 | 0 | 0 | 0 | 113 | D607 E608 I609 K651 | D607-S611 WeakPolarHBondContact O-CB 3.45Å; D607-S611 PolarHBondContact O-N 3.04Å; D607-S611 VanDerWaalsContact O-N 3.12Å; D607-S611 PolarHBondContact O-OG 3.34Å; E608-S611 PolarHBondContact O-N 3.27Å; I609-S611 PolarHBondContact O-N 3.31Å; S611-K651 PolarHBondContact OG-NZ 3.09Å |
| 612 | N | 97.3 | Very high | 96.8 | Very high | 68 Ų | 68 | 53.2 Ų | 53.2 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -117 | 14.5 | -173.3 | -66.4 | -65.5 | 0 | 0 | 0 | 113.1 | E608 I609 L610 N614 T615 I616 | E608-N612 PolarHBondContact O-N 3.48Å; E608-N612 PolarHBondContact O-ND2 3.44Å; I609-N612 CarbonylContact O-C 3.6Å; I609-N612 PolarHBondContact O-N 2.97Å; L610-N612 VanDerWaalsContact C-N 3.3Å; N612-N614 VanDerWaalsContact C-N 3.31Å; N612-N614 PolarHBondContact O-N 3.48Å; N612-T615 WeakPolarHBondContact CB-OG1 3.2Å; N612-T615 PolarHBondContact O-N 3.42Å; N612-T615 VanDerWaalsContact O-N 3.13Å; N612-T615 PolarHBondContact O-OG1 3.27Å; N612-I616 HydrophobicContact CB-CD1 4.11Å; N612-I616 HydrophobicContact CB-CG1 4.44Å; N612-I616 WeakPolarHBondContact O-CD1 3.35Å; N612-I616 VanDerWaalsContact O-CG1 3.27Å; N612-I616 WeakPolarHBondContact O-CG1 3.31Å; N612-I616 PolarHBondContact O-N 3.42Å |
| 613 | I | 96.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -51.1 | -51.9 | -178.4 | -70.4 | 179.9 | 0 | 0 | 0 | 110.9 | I609 L610 T615 I616 I617 F628 Y629 L655 | I609-I613 WeakPolarHBondContact O-CG1 3.34Å; I609-I613 PolarHBondContact O-N 3.43Å; I609-I613 VanDerWaalsContact O-N 3.08Å; L610-I613 HydrophobicContact CD2-CD1 3.75Å; I613-T615 VanDerWaalsContact C-N 3.27Å; I613-T615 PolarHBondContact O-N 2.82Å; I613-I616 PolarHBondContact O-N 3.08Å; I613-I617 HydrophobicContact CG2-CD1 3.73Å; I613-I617 HydrophobicContact CG2-CG1 4.31Å; I613-I617 HydrophobicContact CG2-CG2 4.41Å; I613-I617 WeakPolarHBondContact O-CG1 3.05Å; I613-I617 PolarHBondContact O-N 3.47Å; I613-F628 HydrophobicContact CG1-CE1 4.34Å; I613-F628 HydrophobicContact CG2-CE1 4.35Å; I613-Y629 HydrophobicContact CG2-CE2 4.42Å; I613-L655 HydrophobicContact CG2-CD2 4.37Å |
| 614 | N | 95.6 | Very high | 96.7 | Very high | 106 Ų | 106 | 46 Ų | 46 | 57% | 0.567 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -58.4 | -40.1 | -176.4 | -167.7 | 36.5 | 0 | 0 | 0 | 112.5 | N612 I616 C618 L655 | N612-N614 VanDerWaalsContact C-N 3.31Å; N612-N614 PolarHBondContact O-N 3.48Å; N614-I616 VanDerWaalsContact C-N 3.35Å; N614-C618 WeakPolarHBondContact O-CB 3.5Å; N614-C618 PolarHBondContact O-N 2.9Å; N614-L655 HydrophobicContact CB-CD2 3.99Å |
| 615 | T | 97.3 | Very high | 96.7 | Very high | 81 Ų | 81 | 46 Ų | 46 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -73.6 | -27.5 | 179.3 | 51.9 | 0 | 0 | 0 | 0 | 112.5 | H569 N612 I613 | H569-T615 PolarHBondContact CE1-O 3.35Å; H569-T615 PolarHBondContact NE2-O 3.4Å; N612-T615 WeakPolarHBondContact CB-OG1 3.2Å; N612-T615 PolarHBondContact O-N 3.42Å; N612-T615 VanDerWaalsContact O-N 3.13Å; N612-T615 PolarHBondContact O-OG1 3.27Å; I613-T615 VanDerWaalsContact C-N 3.27Å; I613-T615 PolarHBondContact O-N 2.82Å |
| 616 | I | 97.9 | Very high | 96.6 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -79.2 | -39 | 179.7 | -65.7 | 163.3 | 0 | 0 | 0 | 111.2 | F565 M568 I609 N612 I613 N614 F628 | F565-I616 HydrophobicContact CB-CG1 4.38Å; F565-I616 HydrophobicContact CB-CG2 4.12Å; F565-I616 HydrophobicContact CD1-CD1 4.39Å; F565-I616 HydrophobicContact CD1-CG2 3.63Å; F565-I616 HydrophobicContact CD2-CD1 3.94Å; F565-I616 HydrophobicContact CD2-CG1 4.33Å; F565-I616 HydrophobicContact CE1-CD1 4.43Å; F565-I616 HydrophobicContact CE1-CG2 4.24Å; F565-I616 HydrophobicContact CE2-CD1 3.97Å; F565-I616 HydrophobicContact CG-CD1 4.16Å; F565-I616 HydrophobicContact CG-CG1 4.2Å; F565-I616 HydrophobicContact CG-CG2 3.95Å; F565-I616 HydrophobicContact CZ-CD1 4.22Å; M568-I616 HydrophobicContact SD-CG2 3.7Å; I609-I616 HydrophobicContact CG2-CD1 4.44Å; N612-I616 HydrophobicContact CB-CD1 4.11Å; N612-I616 HydrophobicContact CB-CG1 4.44Å; N612-I616 WeakPolarHBondContact O-CD1 3.35Å; N612-I616 VanDerWaalsContact O-CG1 3.27Å; N612-I616 WeakPolarHBondContact O-CG1 3.31Å; N612-I616 PolarHBondContact O-N 3.42Å; I613-I616 PolarHBondContact O-N 3.08Å; N614-I616 VanDerWaalsContact C-N 3.35Å; I616-F628 HydrophobicContact CB-CZ 4.49Å; I616-F628 HydrophobicContact CD1-CZ 4.43Å; I616-F628 HydrophobicContact CG2-CD2 4.34Å; I616-F628 HydrophobicContact CG2-CE2 3.59Å; I616-F628 HydrophobicContact CG2-CZ 4Å |
| 617 | I | 97.6 | Very high | 96.6 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 9% | 0.092 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -97.7 | -0.5 | -169.9 | 74.2 | 178.2 | 0 | 0 | 0 | 114.6 | I613 D619 L620 V625 F628 Y629 | I613-I617 HydrophobicContact CG2-CD1 3.73Å; I613-I617 HydrophobicContact CG2-CG1 4.31Å; I613-I617 HydrophobicContact CG2-CG2 4.41Å; I613-I617 WeakPolarHBondContact O-CG1 3.05Å; I613-I617 PolarHBondContact O-N 3.47Å; I617-D619 PolarHBondContact O-N 2.67Å; I617-D619 VanDerWaalsContact O-N 3.16Å; I617-L620 HydrophobicContact CB-CD1 4.13Å; I617-L620 HydrophobicContact CG2-CD1 4.12Å; I617-L620 WeakPolarHBondContact O-CB 3.32Å; I617-L620 PolarHBondContact O-N 3Å; I617-V625 HydrophobicContact CB-CG2 4.34Å; I617-V625 HydrophobicContact CD1-CG1 4.03Å; I617-F628 HydrophobicContact CG2-CB 4.48Å; I617-F628 HydrophobicContact CG2-CD1 3.59Å; I617-F628 HydrophobicContact CG2-CD2 4.19Å; I617-F628 HydrophobicContact CG2-CE1 3.76Å; I617-F628 HydrophobicContact CG2-CE2 4.34Å; I617-F628 HydrophobicContact CG2-CG 3.83Å; I617-F628 HydrophobicContact CG2-CZ 4.14Å; I617-Y629 HydrophobicContact CD1-CE2 3.86Å |
| 618 | C | 96.4 | Very high | 96.6 | Very high | 78 Ų | 78 | 45.2 Ų | 45.2 | 53% | 0.527 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.8 | -167.5 | 62.3 | 0 | 0 | 0 | 0 | 114.9 | H569 N614 | H569-C618 VanDerWaalsContact CE1-SG 3.58Å; N614-C618 WeakPolarHBondContact O-CB 3.5Å; N614-C618 PolarHBondContact O-N 2.9Å |
| 619 | D | 96.9 | Very high | 96.7 | Very high | 89 Ų | 89 | 42.8 Ų | 42.8 | 48% | 0.476 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 1.7 | 180 | -59.5 | -36 | 0 | 0 | 0 | 113 | H569 Q576 I617 | H569-D619 IonicContact CE1-OD2 3.02Å; H569-D619 IonicContact CG-OD2 2.7Å; H569-D619 IonicContact ND1-OD2 3.77Å; H569-D619 PolarHBondContact ND1-OD2 2.99Å; Q576-D619 PolarHBondContact NE2-O 3.49Å; I617-D619 PolarHBondContact O-N 2.67Å; I617-D619 VanDerWaalsContact O-N 3.16Å |
| 620 | L | 96.5 | Very high | 96.7 | Very high | 17 Ų | 17 | 42.9 Ų | 42.9 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | trans | -81.4 | 142.7 | -179.3 | -68.3 | -175.8 | 0 | 0 | 0 | 111.6 | M568 Q576 I617 Q624 V625 | M568-L620 HydrophobicContact CB-CD1 4.31Å; M568-L620 HydrophobicContact CB-CD2 3.73Å; M568-L620 HydrophobicContact CB-CG 4.16Å; M568-L620 HydrophobicContact CG-CD1 4.2Å; M568-L620 HydrophobicContact CG-CD2 3.99Å; M568-L620 HydrophobicContact CG-CG 4.5Å; M568-L620 WeakPolarHBondContact O-CD2 3.21Å; M568-L620 HydrophobicContact SD-CD1 4.05Å; Q576-L620 HydrophobicContact CB-CD2 4.06Å; Q576-L620 HydrophobicContact CG-CD2 4.32Å; I617-L620 HydrophobicContact CB-CD1 4.13Å; I617-L620 HydrophobicContact CG2-CD1 4.12Å; I617-L620 WeakPolarHBondContact O-CB 3.32Å; I617-L620 PolarHBondContact O-N 3Å; L620-Q624 HydrophobicContact CB-CB 4.02Å; L620-Q624 HydrophobicContact CD1-CB 4.33Å; L620-Q624 HydrophobicContact CD2-CB 4.03Å; L620-Q624 HydrophobicContact CG-CB 4.37Å; L620-V625 HydrophobicContact CB-CG2 3.76Å | ||
| 621 | Q | 94.3 | Very high | 96.7 | Very high | 120 Ų | 120 | 42.4 Ų | 42.4 | 56% | 0.561 | 24% | 0.24 | S | C | * | . | trans | -70.9 | 156.9 | 170.3 | -60.6 | -175.1 | 10.4 | 0 | 0 | 110.9 | Q623 Q624 V625 | Q621-Q623 VanDerWaalsContact C-N 3.26Å; Q621-Q623 PolarHBondContact O-N 3.44Å; Q621-Q624 WeakPolarHBondContact O-CA 3.31Å; Q621-Q624 WeakPolarHBondContact O-CB 3.26Å; Q621-Q624 PolarHBondContact O-N 3.12Å; Q621-V625 WeakPolarHBondContact O-CG2 3.4Å; Q621-V625 PolarHBondContact O-N 2.95Å | ||
| 622 | P | 93.4 | Very high | 96.8 | Very high | 80 Ų | 80 | 38.9 Ų | 38.9 | 52% | 0.519 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -51.5 | -40.1 | -176.2 | -30 | 35.8 | 0 | 0 | 0 | 114.6 | Q624 V625 H626 | P622-Q624 PolarHBondContact O-N 3.37Å; P622-V625 WeakPolarHBondContact O-CB 3.39Å; P622-V625 PolarHBondContact O-N 3.1Å; P622-H626 PolarHBondContact O-CD2 3.34Å; P622-H626 PolarHBondContact O-CE1 2.82Å; P622-H626 PolarHBondContact O-N 2.95Å; P622-H626 PolarHBondContact O-ND1 3.31Å; P622-H626 PolarHBondContact O-NE2 3.48Å |
| 623 | Q | 91.8 | Very high | 96.9 | Very high | 66 Ų | 66 | 35.7 Ų | 35.7 | 31% | 0.308 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.5 | -38.4 | 178.7 | -65.7 | -179.6 | 22.8 | 0 | 0 | 113 | V435 Q621 H626 T627 | V435-Q623 PolarHBondContact O-NE2 2.87Å; Q621-Q623 VanDerWaalsContact C-N 3.26Å; Q621-Q623 PolarHBondContact O-N 3.44Å; Q623-H626 WeakPolarHBondContact O-CB 3.36Å; Q623-H626 PolarHBondContact O-N 3.28Å; Q623-T627 PolarHBondContact O-N 3.26Å; Q623-T627 PolarHBondContact O-OG1 2.75Å |
| 624 | Q | 95.6 | Very high | 96.9 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.4 | -39.5 | 176.1 | -67.4 | 164.7 | -18 | 0 | 0 | 110.6 | D577 L620 Q621 P622 H626 T627 F628 | D577-Q624 WeakPolarHBondContact OD1-CG 3.4Å; D577-Q624 PolarHBondContact OD1-NE2 3.1Å; L620-Q624 HydrophobicContact CB-CB 4.02Å; L620-Q624 HydrophobicContact CD1-CB 4.33Å; L620-Q624 HydrophobicContact CD2-CB 4.03Å; L620-Q624 HydrophobicContact CG-CB 4.37Å; Q621-Q624 WeakPolarHBondContact O-CA 3.31Å; Q621-Q624 WeakPolarHBondContact O-CB 3.26Å; Q621-Q624 PolarHBondContact O-N 3.12Å; P622-Q624 PolarHBondContact O-N 3.37Å; Q624-H626 VanDerWaalsContact C-N 3.33Å; Q624-H626 PolarHBondContact O-N 3.14Å; Q624-T627 PolarHBondContact O-N 2.99Å; Q624-F628 WeakPolarHBondContact O-CB 3.36Å; Q624-F628 PolarHBondContact O-N 3.38Å |
| 625 | V | 97.9 | Very high | 97.1 | Very high | 24 Ų | 24 | 32 Ų | 32 | 15% | 0.145 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.2 | -47.4 | 170.5 | 177.9 | 0 | 0 | 0 | 0 | 110.2 | I617 L620 Q621 P622 T627 F628 Y629 | I617-V625 HydrophobicContact CB-CG2 4.34Å; I617-V625 HydrophobicContact CD1-CG1 4.03Å; L620-V625 HydrophobicContact CB-CG2 3.76Å; Q621-V625 WeakPolarHBondContact O-CG2 3.4Å; Q621-V625 PolarHBondContact O-N 2.95Å; P622-V625 WeakPolarHBondContact O-CB 3.39Å; P622-V625 PolarHBondContact O-N 3.1Å; V625-T627 VanDerWaalsContact C-N 3.33Å; V625-T627 PolarHBondContact O-N 2.75Å; V625-F628 WeakPolarHBondContact O-CB 3.4Å; V625-F628 PolarHBondContact O-N 3.38Å; V625-F628 VanDerWaalsContact O-N 3.15Å; V625-Y629 HydrophobicContact CG1-CD2 3.68Å; V625-Y629 HydrophobicContact CG1-CE2 3.64Å; V625-Y629 WeakPolarHBondContact O-CD2 3.22Å; V625-Y629 PolarHBondContact O-N 2.96Å |
| 626 | H | 97.3 | Very high | 97.1 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 6% | 0.056 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.7 | -42.6 | 177.5 | -56.8 | 154.7 | 0 | 0 | 0 | 112.4 | P622 Q623 Q624 Y629 E630 S685 K688 T689 R692 | P622-H626 PolarHBondContact O-CD2 3.34Å; P622-H626 PolarHBondContact O-CE1 2.82Å; P622-H626 PolarHBondContact O-N 2.95Å; P622-H626 PolarHBondContact O-ND1 3.31Å; P622-H626 PolarHBondContact O-NE2 3.48Å; Q623-H626 WeakPolarHBondContact O-CB 3.36Å; Q623-H626 PolarHBondContact O-N 3.28Å; Q624-H626 VanDerWaalsContact C-N 3.33Å; Q624-H626 PolarHBondContact O-N 3.14Å; H626-Y629 PolarHBondContact O-N 3Å; H626-E630 PolarHBondContact O-N 3.2Å; H626-S685 PolarHBondContact NE2-O 3.2Å; H626-K688 VanDerWaalsContact CE1-CB 3.48Å; H626-K688 WeakPolarHBondContact CE1-CB 3.45Å; H626-T689 PolarHBondContact CD2-OG1 3.1Å; H626-T689 VanDerWaalsContact CD2-OG1 3.3Å; H626-R692 HydrophobicContact CB-CG 3.82Å |
| 627 | T | 97.3 | Very high | 97.1 | Very high | 25 Ų | 25 | 29 Ų | 29 | 15% | 0.153 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 175.3 | -61.2 | 0 | 0 | 0 | 0 | 112 | C580 I584 Q623 Q624 V625 E630 A631 | C580-T627 HydrophobicContact CB-CG2 4.03Å; I584-T627 HydrophobicContact CB-CG2 4.12Å; I584-T627 HydrophobicContact CD1-CG2 4.15Å; I584-T627 HydrophobicContact CG2-CG2 3.98Å; Q623-T627 PolarHBondContact O-N 3.26Å; Q623-T627 PolarHBondContact O-OG1 2.75Å; Q624-T627 PolarHBondContact O-N 2.99Å; V625-T627 VanDerWaalsContact C-N 3.33Å; V625-T627 PolarHBondContact O-N 2.75Å; T627-E630 WeakPolarHBondContact O-CB 3.31Å; T627-E630 PolarHBondContact O-N 3.4Å; T627-A631 PolarHBondContact O-N 3.43Å |
| 628 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.4 | -48.3 | 175.2 | 178.1 | -87.9 | 0 | 0 | 0 | 111.5 | F565 M568 F583 I609 I613 I616 I617 Q624 V625 E630 A631 V632 | F565-F628 HydrophobicContact CD1-CE2 4.31Å; F565-F628 AromaticContact CE1-CE2 3.82Å; F565-F628 HydrophobicContact CE1-CE2 3.82Å; M568-F628 HydrophobicContact CE-CD2 3.94Å; M568-F628 HydrophobicContact CE-CE2 4.46Å; M568-F628 HydrophobicContact SD-CD2 3.94Å; M568-F628 HydrophobicContact SD-CE2 4.24Å; F583-F628 AromaticContact CD1-CD2 3.85Å; F583-F628 HydrophobicContact CD1-CD2 3.85Å; F583-F628 HydrophobicContact CD1-CE2 4.23Å; F583-F628 AromaticContact CE1-CD2 3.56Å; F583-F628 HydrophobicContact CE1-CD2 3.56Å; F583-F628 AromaticContact CE1-CE2 3.58Å; F583-F628 HydrophobicContact CE1-CE2 3.58Å; F583-F628 HydrophobicContact CE1-CG 4.33Å; F583-F628 HydrophobicContact CE1-CZ 4.38Å; F583-F628 HydrophobicContact CZ-CE2 4.13Å; I609-F628 HydrophobicContact CG2-CZ 4.08Å; I613-F628 HydrophobicContact CG1-CE1 4.34Å; I613-F628 HydrophobicContact CG2-CE1 4.35Å; I616-F628 HydrophobicContact CB-CZ 4.49Å; I616-F628 HydrophobicContact CD1-CZ 4.43Å; I616-F628 HydrophobicContact CG2-CD2 4.34Å; I616-F628 HydrophobicContact CG2-CE2 3.59Å; I616-F628 HydrophobicContact CG2-CZ 4Å; I617-F628 HydrophobicContact CG2-CB 4.48Å; I617-F628 HydrophobicContact CG2-CD1 3.59Å; I617-F628 HydrophobicContact CG2-CD2 4.19Å; I617-F628 HydrophobicContact CG2-CE1 3.76Å; I617-F628 HydrophobicContact CG2-CE2 4.34Å; I617-F628 HydrophobicContact CG2-CG 3.83Å; I617-F628 HydrophobicContact CG2-CZ 4.14Å; Q624-F628 WeakPolarHBondContact O-CB 3.36Å; Q624-F628 PolarHBondContact O-N 3.38Å; V625-F628 WeakPolarHBondContact O-CB 3.4Å; V625-F628 PolarHBondContact O-N 3.38Å; V625-F628 VanDerWaalsContact O-N 3.15Å; F628-E630 VanDerWaalsContact C-N 3.33Å; F628-E630 PolarHBondContact O-N 2.92Å; F628-A631 WeakPolarHBondContact O-CB 3.49Å; F628-A631 PolarHBondContact O-N 2.89Å; F628-A631 VanDerWaalsContact O-N 3.16Å; F628-V632 HydrophobicContact CD1-CG2 4.17Å; F628-V632 HydrophobicContact CE1-CG2 3.71Å; F628-V632 HydrophobicContact CE2-CG2 4.5Å; F628-V632 HydrophobicContact CZ-CG2 3.9Å; F628-V632 WeakPolarHBondContact O-CG2 3.28Å; F628-V632 PolarHBondContact O-N 3.37Å |
| 629 | Y | 98.7 | Very high | 97.2 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 2% | 0.02 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 176.7 | -86.6 | -100.5 | 0 | 0 | 0 | 110.9 | I613 I617 V625 H626 A631 V632 G633 Y652 M653 P656 T689 | I613-Y629 HydrophobicContact CG2-CE2 4.42Å; I617-Y629 HydrophobicContact CD1-CE2 3.86Å; V625-Y629 HydrophobicContact CG1-CD2 3.68Å; V625-Y629 HydrophobicContact CG1-CE2 3.64Å; V625-Y629 WeakPolarHBondContact O-CD2 3.22Å; V625-Y629 PolarHBondContact O-N 2.96Å; H626-Y629 PolarHBondContact O-N 3Å; Y629-A631 VanDerWaalsContact C-N 3.3Å; Y629-A631 PolarHBondContact O-N 3.4Å; Y629-V632 PolarHBondContact O-N 2.95Å; Y629-G633 PolarHBondContact O-N 3.5Å; Y629-Y652 VanDerWaalsContact C-OH 3.24Å; Y629-Y652 AromaticContact CD1-CD2 4Å; Y629-Y652 HydrophobicContact CD1-CD2 4Å; Y629-Y652 AromaticContact CD1-CE2 3.26Å; Y629-Y652 HydrophobicContact CD1-CE2 3.26Å; Y629-Y652 AromaticContact CD1-CZ 3.72Å; Y629-Y652 HydrophobicContact CE1-CD2 4.18Å; Y629-Y652 AromaticContact CE1-CE2 3.91Å; Y629-Y652 HydrophobicContact CE1-CE2 3.91Å; Y629-Y652 WeakPolarHBondContact CE1-O 3.23Å; Y629-Y652 HydrophobicContact CG-CE2 4.04Å; Y629-Y652 PolarHBondContact O-OH 3.23Å; Y629-M653 HydrophobicContact CD1-CE 3.77Å; Y629-M653 HydrophobicContact CE1-CE 4.15Å; Y629-P656 HydrophobicContact CE1-CG 3.92Å; Y629-T689 HydrophobicContact CD1-CG2 3.53Å; Y629-T689 HydrophobicContact CD2-CG2 3.94Å; Y629-T689 HydrophobicContact CE1-CG2 3.95Å; Y629-T689 HydrophobicContact CE2-CG2 4.3Å; Y629-T689 HydrophobicContact CG-CG2 3.54Å |
| 630 | E | 98.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.9 | -44.7 | 174.1 | -158.9 | 178.4 | 148.9 | 0 | 0 | 111.6 | I584 H626 T627 F628 G633 Y634 R692 K695 A696 | I584-E630 HydrophobicContact CD1-CB 3.88Å; I584-E630 HydrophobicContact CD1-CG 3.96Å; H626-E630 PolarHBondContact O-N 3.2Å; T627-E630 WeakPolarHBondContact O-CB 3.31Å; T627-E630 PolarHBondContact O-N 3.4Å; F628-E630 VanDerWaalsContact C-N 3.33Å; F628-E630 PolarHBondContact O-N 2.92Å; E630-G633 PolarHBondContact O-N 3.31Å; E630-Y634 HydrophobicContact CG-CE2 3.75Å; E630-Y634 WeakPolarHBondContact O-CD2 3.16Å; E630-Y634 PolarHBondContact O-N 2.85Å; E630-Y634 PolarHBondContact OE1-OH 3.42Å; E630-R692 HydrophobicContact CB-CB 4Å; E630-R692 HydrophobicContact CG-CB 4.38Å; E630-R692 WeakPolarHBondContact OE2-CD 3.46Å; E630-R692 IonicContact OE2-CZ 3.18Å; E630-R692 IonicContact OE2-NE 3.41Å; E630-R692 IonicContact OE2-NH1 3.78Å; E630-R692 PolarHBondContact OE2-NH1 3.31Å; E630-K695 WeakPolarHBondContact OE1-CE 3.49Å; E630-K695 IonicContact OE1-NZ 3.83Å; E630-K695 PolarHBondContact OE1-NZ 3.06Å; E630-K695 IonicContact OE2-NZ 3.74Å; E630-A696 HydrophobicContact CG-CB 3.95Å; E630-A696 WeakPolarHBondContact O-CB 3.47Å |
| 631 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.5 | -51.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F583 I584 A587 T627 F628 Y629 G633 Y634 | F583-A631 HydrophobicContact CD1-CB 3.49Å; F583-A631 VanDerWaalsContact CD1-CB 3.49Å; F583-A631 HydrophobicContact CE1-CB 3.52Å; F583-A631 HydrophobicContact CG-CB 4.37Å; F583-A631 HydrophobicContact CZ-CB 4.41Å; I584-A631 HydrophobicContact CB-CB 3.85Å; I584-A631 HydrophobicContact CG1-CB 4.04Å; A587-A631 HydrophobicContact CB-CB 3.87Å; A587-A631 VanDerWaalsContact CB-O 3.3Å; A587-A631 WeakPolarHBondContact CB-O 3.36Å; T627-A631 PolarHBondContact O-N 3.43Å; F628-A631 WeakPolarHBondContact O-CB 3.49Å; F628-A631 PolarHBondContact O-N 2.89Å; F628-A631 VanDerWaalsContact O-N 3.16Å; Y629-A631 VanDerWaalsContact C-N 3.3Å; Y629-A631 PolarHBondContact O-N 3.4Å; A631-G633 VanDerWaalsContact C-N 3.27Å; A631-G633 PolarHBondContact O-N 3.27Å; A631-Y634 PolarHBondContact O-N 3.33Å |
| 632 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -36.7 | 178 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | F583 I606 I609 L610 F628 Y629 Y634 M635 I636 Y652 | F583-V632 HydrophobicContact CE1-CG2 4.14Å; F583-V632 HydrophobicContact CZ-CG2 4.28Å; I606-V632 HydrophobicContact CD1-CG1 3.76Å; I609-V632 HydrophobicContact CG2-CG2 4.15Å; L610-V632 HydrophobicContact CD2-CG1 3.83Å; F628-V632 HydrophobicContact CD1-CG2 4.17Å; F628-V632 HydrophobicContact CE1-CG2 3.71Å; F628-V632 HydrophobicContact CE2-CG2 4.5Å; F628-V632 HydrophobicContact CZ-CG2 3.9Å; F628-V632 WeakPolarHBondContact O-CG2 3.28Å; F628-V632 PolarHBondContact O-N 3.37Å; Y629-V632 PolarHBondContact O-N 2.95Å; V632-Y634 VanDerWaalsContact C-N 3.29Å; V632-Y634 PolarHBondContact O-N 3.19Å; V632-M635 VanDerWaalsContact O-CB 3.31Å; V632-M635 WeakPolarHBondContact O-CB 3.48Å; V632-M635 PolarHBondContact O-N 2.9Å; V632-I636 HydrophobicContact CG1-CD1 4.09Å; V632-I636 HydrophobicContact CG1-CG1 4.49Å; V632-I636 PolarHBondContact O-N 3.5Å; V632-Y652 HydrophobicContact CB-CD2 4.35Å; V632-Y652 HydrophobicContact CB-CE2 3.91Å; V632-Y652 HydrophobicContact CG1-CD2 3.76Å; V632-Y652 HydrophobicContact CG1-CE2 3.81Å |
| 633 | G | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.9 | -37.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y629 E630 A631 M635 I636 G637 | Y629-G633 PolarHBondContact O-N 3.5Å; E630-G633 PolarHBondContact O-N 3.31Å; A631-G633 VanDerWaalsContact C-N 3.27Å; A631-G633 PolarHBondContact O-N 3.27Å; G633-M635 VanDerWaalsContact C-N 3.29Å; G633-M635 PolarHBondContact O-N 2.96Å; G633-I636 PolarHBondContact O-N 3.45Å; G633-G637 PolarHBondContact O-N 3.27Å |
| 634 | Y | 98.6 | Very high | 97.6 | Very high | 34 Ų | 34 | 31.5 Ų | 31.5 | 13% | 0.133 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.4 | -30.1 | 175.6 | -69.3 | -66.7 | 0 | 0 | 0 | 112.9 | I584 Q588 R591 E630 A631 V632 A638 A696 | I584-Y634 HydrophobicContact CD1-CE2 4.13Å; I584-Y634 HydrophobicContact CG1-CD2 4.33Å; I584-Y634 HydrophobicContact CG1-CE2 4.03Å; Q588-Y634 HydrophobicContact CG-CD1 4.11Å; Q588-Y634 HydrophobicContact CG-CD2 3.38Å; Q588-Y634 HydrophobicContact CG-CE1 4.18Å; Q588-Y634 HydrophobicContact CG-CE2 3.47Å; Q588-Y634 VanDerWaalsContact CG-CE2 3.47Å; Q588-Y634 HydrophobicContact CG-CG 3.73Å; Q588-Y634 VanDerWaalsContact NE2-CZ 3.28Å; Q588-Y634 PolarHBondContact NE2-OH 3.26Å; R591-Y634 VanDerWaalsContact CB-O 3.31Å; R591-Y634 WeakPolarHBondContact CB-O 3.4Å; E630-Y634 HydrophobicContact CG-CE2 3.75Å; E630-Y634 WeakPolarHBondContact O-CD2 3.16Å; E630-Y634 PolarHBondContact O-N 2.85Å; E630-Y634 PolarHBondContact OE1-OH 3.42Å; A631-Y634 PolarHBondContact O-N 3.33Å; V632-Y634 VanDerWaalsContact C-N 3.29Å; V632-Y634 PolarHBondContact O-N 3.19Å; Y634-A638 PolarHBondContact O-N 3Å; Y634-A696 HydrophobicContact CD1-CB 3.91Å; Y634-A696 HydrophobicContact CD2-CB 3.96Å; Y634-A696 HydrophobicContact CE1-CB 3.91Å; Y634-A696 HydrophobicContact CE2-CB 3.94Å; Y634-A696 HydrophobicContact CG-CB 3.93Å |
| 635 | M | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.9 | -50.2 | 174.5 | -53.6 | 178.8 | -175.2 | 0 | 0 | 109.7 | F583 A587 F594 V595 I606 I609 V632 G633 G637 A638 | F583-M635 HydrophobicContact CE1-CE 4.47Å; F583-M635 HydrophobicContact CE2-CE 3.62Å; F583-M635 HydrophobicContact CZ-CE 3.5Å; A587-M635 HydrophobicContact CB-CE 3.51Å; A587-M635 HydrophobicContact CB-CG 4.25Å; F594-M635 HydrophobicContact CB-CB 4.04Å; F594-M635 HydrophobicContact CB-CG 3.95Å; F594-M635 HydrophobicContact CB-SD 3.72Å; F594-M635 HydrophobicContact CD1-CE 3.71Å; F594-M635 HydrophobicContact CD1-SD 3.55Å; F594-M635 VanDerWaalsContact CD1-SD 3.55Å; F594-M635 HydrophobicContact CD2-CE 3.94Å; F594-M635 HydrophobicContact CD2-CG 3.91Å; F594-M635 HydrophobicContact CD2-SD 3.92Å; F594-M635 HydrophobicContact CE1-CE 3.61Å; F594-M635 HydrophobicContact CE1-SD 4.11Å; F594-M635 HydrophobicContact CE2-CE 3.83Å; F594-M635 HydrophobicContact CE2-SD 4.42Å; F594-M635 HydrophobicContact CG-CE 3.89Å; F594-M635 HydrophobicContact CG-CG 3.9Å; F594-M635 HydrophobicContact CG-SD 3.45Å; F594-M635 WeakPolarHBondContact CG-SD 3.2Å; F594-M635 HydrophobicContact CZ-CE 3.67Å; V595-M635 WeakPolarHBondContact CG1-O 3.35Å; I606-M635 HydrophobicContact CD1-CB 4.09Å; I606-M635 HydrophobicContact CD1-SD 4.04Å; I609-M635 HydrophobicContact CD1-CE 4.34Å; I609-M635 HydrophobicContact CD1-SD 4.04Å; V632-M635 VanDerWaalsContact O-CB 3.31Å; V632-M635 WeakPolarHBondContact O-CB 3.48Å; V632-M635 PolarHBondContact O-N 2.9Å; G633-M635 VanDerWaalsContact C-N 3.29Å; G633-M635 PolarHBondContact O-N 2.96Å; M635-G637 VanDerWaalsContact C-N 3.31Å; M635-G637 PolarHBondContact O-N 2.98Å; M635-A638 WeakPolarHBondContact O-CA 3.43Å; M635-A638 VanDerWaalsContact O-CB 3.31Å; M635-A638 WeakPolarHBondContact O-CB 3.26Å; M635-A638 PolarHBondContact O-N 3.35Å |
| 636 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.9 | -42.2 | 178.2 | -64.5 | 172.8 | 0 | 0 | 0 | 110.9 | I606 V632 G633 A638 Q639 Q645 L648 I649 Y652 V697 | I606-I636 HydrophobicContact CD1-CG1 4.32Å; I606-I636 HydrophobicContact CG1-CG1 4.45Å; V632-I636 HydrophobicContact CG1-CD1 4.09Å; V632-I636 HydrophobicContact CG1-CG1 4.49Å; V632-I636 PolarHBondContact O-N 3.5Å; G633-I636 PolarHBondContact O-N 3.45Å; I636-A638 PolarHBondContact O-N 3.35Å; I636-Q639 WeakPolarHBondContact O-CB 3.16Å; I636-Q639 PolarHBondContact O-N 3.09Å; I636-Q645 HydrophobicContact CG2-CG 4.02Å; I636-Q645 PolarHBondContact O-NE2 3Å; I636-L648 HydrophobicContact CG1-CB 4.32Å; I636-L648 HydrophobicContact CG2-CB 4.26Å; I636-I649 HydrophobicContact CG2-CD1 4.41Å; I636-I649 HydrophobicContact CG2-CG1 3.67Å; I636-Y652 VanDerWaalsContact CD1-CB 3.49Å; I636-Y652 HydrophobicContact CD1-CD1 3.44Å; I636-Y652 VanDerWaalsContact CD1-CD1 3.44Å; I636-Y652 HydrophobicContact CD1-CD2 3.97Å; I636-Y652 HydrophobicContact CD1-CE1 4.06Å; I636-Y652 HydrophobicContact CD1-CG 3.37Å; I636-V697 HydrophobicContact CB-CG2 4.43Å; I636-V697 HydrophobicContact CG2-CG2 4.4Å |
| 637 | G | 97.1 | Very high | 97.7 | Very high | 29 Ų | 29 | 38.5 Ų | 38.5 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -10.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G633 M635 | G633-G637 PolarHBondContact O-N 3.27Å; M635-G637 VanDerWaalsContact C-N 3.31Å; M635-G637 PolarHBondContact O-N 2.98Å |
| 638 | A | 97.7 | Very high | 97.7 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 14% | 0.14 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -11.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R591 R592 V595 Y634 M635 I636 | R591-A638 HydrophobicContact CB-CB 3.75Å; R591-A638 HydrophobicContact CG-CB 3.77Å; R592-A638 HydrophobicContact CG-CB 4.39Å; V595-A638 HydrophobicContact CG2-CB 4.27Å; Y634-A638 PolarHBondContact O-N 3Å; M635-A638 WeakPolarHBondContact O-CA 3.43Å; M635-A638 VanDerWaalsContact O-CB 3.31Å; M635-A638 WeakPolarHBondContact O-CB 3.26Å; M635-A638 PolarHBondContact O-N 3.35Å; I636-A638 PolarHBondContact O-N 3.35Å |
| 639 | Q | 97.8 | Very high | 97.7 | Very high | 33 Ų | 33 | 37.8 Ų | 37.8 | 15% | 0.154 | 22% | 0.216 | C | C | . | . | trans | -71.9 | 124.7 | 168.4 | 177.9 | 56.2 | -89 | 0 | 0 | 108.6 | V595 I636 D641 V644 Q645 L648 | V595-Q639 HydrophobicContact CB-CB 4.38Å; V595-Q639 HydrophobicContact CG1-CB 4.12Å; I636-Q639 WeakPolarHBondContact O-CB 3.16Å; I636-Q639 PolarHBondContact O-N 3.09Å; Q639-D641 VanDerWaalsContact OE1-N 3.12Å; Q639-V644 HydrophobicContact CG-CB 4.2Å; Q639-V644 HydrophobicContact CG-CG1 4.11Å; Q639-Q645 HydrophobicContact CB-CB 4.24Å; Q639-Q645 HydrophobicContact CB-CG 4.48Å; Q639-Q645 HydrophobicContact CG-CB 3.95Å; Q639-Q645 PolarHBondContact O-NE2 3.38Å; Q639-L648 HydrophobicContact CB-CD1 4.17Å; Q639-L648 HydrophobicContact CG-CD1 4.2Å | ||
| 640 | T | 94.7 | Very high | 97.6 | Very high | 135 Ų | 135 | 42.9 Ų | 42.9 | 83% | 0.828 | 24% | 0.24 | S | C | * | . | trans | -99.3 | -20.3 | -176 | 53 | 0 | 0 | 0 | 0 | 113 | Q642 | T640-Q642 PolarHBondContact O-N 3.02Š| ||
| 641 | D | 97.1 | Very high | 97.6 | Very high | 82 Ų | 82 | 46.3 Ų | 46.3 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | trans | -73.4 | 113.6 | 171.2 | -173.8 | -57 | 0 | 0 | 0 | 108.9 | Q639 A643 V644 Q645 | Q639-D641 VanDerWaalsContact OE1-N 3.12Å; D641-A643 PolarHBondContact O-N 2.93Å; D641-A643 PolarHBondContact OD1-N 3.5Å; D641-V644 HydrophobicContact CB-CB 4.12Å; D641-V644 HydrophobicContact CB-CG2 4.08Å; D641-V644 PolarHBondContact O-N 3.43Å; D641-V644 PolarHBondContact OD1-N 2.88Å; D641-V644 VanDerWaalsContact OD1-N 3.07Å; D641-Q645 VanDerWaalsContact O-CB 3.26Å; D641-Q645 WeakPolarHBondContact O-CB 3.36Å; D641-Q645 PolarHBondContact O-N 3.3Å | ||
| 642 | Q | 95.2 | Very high | 97.6 | Very high | 131 Ų | 131 | 46.4 Ų | 46.4 | 61% | 0.612 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.4 | -44.4 | -174.6 | -177 | 177.4 | -6.8 | 0 | 0 | 112 | T640 V644 Q645 E646 | T640-Q642 PolarHBondContact O-N 3.02Å; Q642-V644 VanDerWaalsContact C-N 3.33Å; Q642-V644 PolarHBondContact O-N 2.77Å; Q642-Q645 PolarHBondContact O-N 3.35Å; Q642-E646 HydrophobicContact CG-CG 4.3Å; Q642-E646 WeakPolarHBondContact CG-OE1 3.35Å; Q642-E646 PolarHBondContact NE2-OE1 3.44Å; Q642-E646 VanDerWaalsContact O-CG 3.26Å; Q642-E646 WeakPolarHBondContact O-CG 3.41Å; Q642-E646 PolarHBondContact O-N 3.48Å |
| 643 | A | 96.9 | Very high | 97.6 | Very high | 63 Ų | 63 | 46.4 Ų | 46.4 | 52% | 0.521 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D641 L647 | D641-A643 PolarHBondContact O-N 2.93Å; D641-A643 PolarHBondContact OD1-N 3.5Å; A643-L647 WeakPolarHBondContact O-CG 3.46Å; A643-L647 PolarHBondContact O-N 3.33Å |
| 644 | V | 97.4 | Very high | 97.6 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.7 | -41.5 | 174.6 | -179.1 | 0 | 0 | 0 | 0 | 111 | Q639 D641 Q642 E646 L647 L648 | Q639-V644 HydrophobicContact CG-CB 4.2Å; Q639-V644 HydrophobicContact CG-CG1 4.11Å; D641-V644 HydrophobicContact CB-CB 4.12Å; D641-V644 HydrophobicContact CB-CG2 4.08Å; D641-V644 PolarHBondContact O-N 3.43Å; D641-V644 PolarHBondContact OD1-N 2.88Å; D641-V644 VanDerWaalsContact OD1-N 3.07Å; Q642-V644 VanDerWaalsContact C-N 3.33Å; Q642-V644 PolarHBondContact O-N 2.77Å; V644-E646 VanDerWaalsContact C-N 3.34Å; V644-E646 PolarHBondContact O-N 2.99Å; V644-L647 PolarHBondContact O-N 2.86Å; V644-L648 HydrophobicContact CG1-CD1 4.24Å; V644-L648 HydrophobicContact CG1-CG 4.42Å; V644-L648 VanDerWaalsContact O-CG 3.31Å; V644-L648 WeakPolarHBondContact O-CG 3.2Å; V644-L648 PolarHBondContact O-N 2.74Å |
| 645 | Q | 98 | Very high | 97.5 | Very high | 15 Ų | 15 | 51 Ų | 51 | 7% | 0.07 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 179.2 | -174.2 | 176.1 | 55.8 | 0 | 0 | 111.9 | I636 Q639 D641 Q642 L648 I649 | I636-Q645 HydrophobicContact CG2-CG 4.02Å; I636-Q645 PolarHBondContact O-NE2 3Å; Q639-Q645 HydrophobicContact CB-CB 4.24Å; Q639-Q645 HydrophobicContact CB-CG 4.48Å; Q639-Q645 HydrophobicContact CG-CB 3.95Å; Q639-Q645 PolarHBondContact O-NE2 3.38Å; D641-Q645 VanDerWaalsContact O-CB 3.26Å; D641-Q645 WeakPolarHBondContact O-CB 3.36Å; D641-Q645 PolarHBondContact O-N 3.3Å; Q642-Q645 PolarHBondContact O-N 3.35Å; Q645-L648 WeakPolarHBondContact O-CB 3.38Å; Q645-L648 PolarHBondContact O-N 2.66Å; Q645-I649 HydrophobicContact CG-CD1 4.16Å; Q645-I649 VanDerWaalsContact O-CG1 3.29Å; Q645-I649 WeakPolarHBondContact O-CG1 3.49Å; Q645-I649 PolarHBondContact O-N 2.87Å |
| 646 | E | 97.4 | Very high | 97.5 | Very high | 63 Ų | 63 | 51.5 Ų | 51.5 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 177 | -70.3 | 177.2 | -178.7 | 0 | 0 | 111.4 | Q642 V644 L648 I649 E650 V703 | Q642-E646 HydrophobicContact CG-CG 4.3Å; Q642-E646 WeakPolarHBondContact CG-OE1 3.35Å; Q642-E646 PolarHBondContact NE2-OE1 3.44Å; Q642-E646 VanDerWaalsContact O-CG 3.26Å; Q642-E646 WeakPolarHBondContact O-CG 3.41Å; Q642-E646 PolarHBondContact O-N 3.48Å; V644-E646 VanDerWaalsContact C-N 3.34Å; V644-E646 PolarHBondContact O-N 2.99Å; E646-L648 VanDerWaalsContact C-N 3.31Å; E646-L648 PolarHBondContact O-N 3.4Å; E646-I649 WeakPolarHBondContact O-CB 3.38Å; E646-I649 PolarHBondContact O-N 3.3Å; E646-I649 VanDerWaalsContact O-N 3.1Å; E646-E650 WeakPolarHBondContact O-CG 3.09Å; E646-E650 PolarHBondContact O-N 3.02Å; E646-V703 HydrophobicContact CG-CG2 3.86Å |
| 647 | L | 97.3 | Very high | 97.5 | Very high | 113 Ų | 113 | 51.9 Ų | 51.9 | 59% | 0.592 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.4 | -38.8 | 174.5 | -69.7 | 170.7 | 0 | 0 | 0 | 112.6 | A643 V644 E650 K651 | A643-L647 WeakPolarHBondContact O-CG 3.46Å; A643-L647 PolarHBondContact O-N 3.33Å; V644-L647 PolarHBondContact O-N 2.86Å; L647-E650 PolarHBondContact O-N 3.31Å; L647-K651 PolarHBondContact O-N 3.16Å; L647-K651 VanDerWaalsContact O-N 3.14Å |
| 648 | L | 98.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 174.5 | -70.3 | 174 | 0 | 0 | 0 | 111.3 | I606 L610 I636 Q639 V644 Q645 E646 K651 Y652 | I606-L648 HydrophobicContact CG1-CD2 4.36Å; I606-L648 HydrophobicContact CG2-CD1 4.44Å; I606-L648 HydrophobicContact CG2-CD2 4.22Å; L610-L648 HydrophobicContact CD1-CB 4.35Å; L610-L648 HydrophobicContact CD1-CD2 3.62Å; I636-L648 HydrophobicContact CG1-CB 4.32Å; I636-L648 HydrophobicContact CG2-CB 4.26Å; Q639-L648 HydrophobicContact CB-CD1 4.17Å; Q639-L648 HydrophobicContact CG-CD1 4.2Å; V644-L648 HydrophobicContact CG1-CD1 4.24Å; V644-L648 HydrophobicContact CG1-CG 4.42Å; V644-L648 VanDerWaalsContact O-CG 3.31Å; V644-L648 WeakPolarHBondContact O-CG 3.2Å; V644-L648 PolarHBondContact O-N 2.74Å; Q645-L648 WeakPolarHBondContact O-CB 3.38Å; Q645-L648 PolarHBondContact O-N 2.66Å; E646-L648 VanDerWaalsContact C-N 3.31Å; E646-L648 PolarHBondContact O-N 3.4Å; L648-K651 PolarHBondContact O-N 3.15Å; L648-Y652 WeakPolarHBondContact O-CB 3.49Å; L648-Y652 PolarHBondContact O-N 2.77Å |
| 649 | I | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 177 | -69.2 | 167.5 | 0 | 0 | 0 | 110.8 | I636 Q645 E646 Y652 M653 V697 P700 Q704 | I636-I649 HydrophobicContact CG2-CD1 4.41Å; I636-I649 HydrophobicContact CG2-CG1 3.67Å; Q645-I649 HydrophobicContact CG-CD1 4.16Å; Q645-I649 VanDerWaalsContact O-CG1 3.29Å; Q645-I649 WeakPolarHBondContact O-CG1 3.49Å; Q645-I649 PolarHBondContact O-N 2.87Å; E646-I649 WeakPolarHBondContact O-CB 3.38Å; E646-I649 PolarHBondContact O-N 3.3Å; E646-I649 VanDerWaalsContact O-N 3.1Å; I649-Y652 WeakPolarHBondContact O-CB 3.32Å; I649-Y652 PolarHBondContact O-N 3.08Å; I649-M653 WeakPolarHBondContact O-CB 3.27Å; I649-M653 PolarHBondContact O-N 3.48Å; I649-V697 HydrophobicContact CD1-CG1 3.95Å; I649-V697 HydrophobicContact CG1-CG1 4.46Å; I649-P700 HydrophobicContact CD1-CB 4.15Å; I649-P700 WeakPolarHBondContact CD1-O 3.29Å; I649-Q704 HydrophobicContact CG2-CB 3.92Å |
| 650 | E | 97.6 | Very high | 97.5 | Very high | 111 Ų | 111 | 56.5 Ų | 56.5 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 178.1 | -72.8 | -178.8 | 176.8 | 0 | 0 | 112 | E646 L647 Y652 M653 L654 | E646-E650 WeakPolarHBondContact O-CG 3.09Å; E646-E650 PolarHBondContact O-N 3.02Å; L647-E650 PolarHBondContact O-N 3.31Å; E650-Y652 VanDerWaalsContact C-N 3.34Å; E650-Y652 PolarHBondContact O-N 3.32Å; E650-M653 PolarHBondContact O-N 3.25Å; E650-L654 PolarHBondContact O-N 3.44Å |
| 651 | K | 97.6 | Very high | 97.7 | Very high | 77 Ų | 77 | 53.1 Ų | 53.1 | 34% | 0.335 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 178.1 | -171.3 | 178.1 | 179.3 | -177 | 0 | 112 | L610 S611 L647 L648 L654 | L610-K651 HydrophobicContact CB-CD 3.87Å; L610-K651 HydrophobicContact CB-CG 4.14Å; L610-K651 HydrophobicContact CD1-CB 4.29Å; L610-K651 HydrophobicContact CD1-CD 4.26Å; L610-K651 HydrophobicContact CD1-CG 4.42Å; S611-K651 PolarHBondContact OG-NZ 3.09Å; L647-K651 PolarHBondContact O-N 3.16Å; L647-K651 VanDerWaalsContact O-N 3.14Å; L648-K651 PolarHBondContact O-N 3.15Å; K651-L654 VanDerWaalsContact O-CB 3.27Å; K651-L654 WeakPolarHBondContact O-CB 3.35Å; K651-L654 PolarHBondContact O-N 3.39Å |
| 652 | Y | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 178 | 165.9 | -127.9 | 0 | 0 | 0 | 113.1 | L610 Y629 V632 I636 L648 I649 E650 L654 A693 V697 | L610-Y652 HydrophobicContact CD2-CD2 4.15Å; L610-Y652 HydrophobicContact CD2-CG 4.43Å; Y629-Y652 VanDerWaalsContact C-OH 3.24Å; Y629-Y652 AromaticContact CD1-CD2 4Å; Y629-Y652 HydrophobicContact CD1-CD2 4Å; Y629-Y652 AromaticContact CD1-CE2 3.26Å; Y629-Y652 HydrophobicContact CD1-CE2 3.26Å; Y629-Y652 AromaticContact CD1-CZ 3.72Å; Y629-Y652 HydrophobicContact CE1-CD2 4.18Å; Y629-Y652 AromaticContact CE1-CE2 3.91Å; Y629-Y652 HydrophobicContact CE1-CE2 3.91Å; Y629-Y652 WeakPolarHBondContact CE1-O 3.23Å; Y629-Y652 HydrophobicContact CG-CE2 4.04Å; Y629-Y652 PolarHBondContact O-OH 3.23Å; V632-Y652 HydrophobicContact CB-CD2 4.35Å; V632-Y652 HydrophobicContact CB-CE2 3.91Å; V632-Y652 HydrophobicContact CG1-CD2 3.76Å; V632-Y652 HydrophobicContact CG1-CE2 3.81Å; I636-Y652 VanDerWaalsContact CD1-CB 3.49Å; I636-Y652 HydrophobicContact CD1-CD1 3.44Å; I636-Y652 VanDerWaalsContact CD1-CD1 3.44Å; I636-Y652 HydrophobicContact CD1-CD2 3.97Å; I636-Y652 HydrophobicContact CD1-CE1 4.06Å; I636-Y652 HydrophobicContact CD1-CG 3.37Å; L648-Y652 WeakPolarHBondContact O-CB 3.49Å; L648-Y652 PolarHBondContact O-N 2.77Å; I649-Y652 WeakPolarHBondContact O-CB 3.32Å; I649-Y652 PolarHBondContact O-N 3.08Å; E650-Y652 VanDerWaalsContact C-N 3.34Å; E650-Y652 PolarHBondContact O-N 3.32Å; Y652-L654 VanDerWaalsContact C-N 3.34Å; Y652-A693 HydrophobicContact CE1-CB 3.75Å; Y652-A693 WeakPolarHBondContact OH-CA 3.41Å; Y652-A693 WeakPolarHBondContact OH-CB 3.44Å; Y652-V697 HydrophobicContact CE1-CG2 4.4Å |
| 653 | M | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 4.1 | -179.5 | -72.1 | -72.1 | 126.3 | 0 | 0 | 113.9 | Y629 I649 E650 L655 P656 N657 A693 F701 Q704 | Y629-M653 HydrophobicContact CD1-CE 3.77Å; Y629-M653 HydrophobicContact CE1-CE 4.15Å; I649-M653 WeakPolarHBondContact O-CB 3.27Å; I649-M653 PolarHBondContact O-N 3.48Å; E650-M653 PolarHBondContact O-N 3.25Å; M653-L655 PolarHBondContact O-N 2.97Å; M653-P656 WeakPolarHBondContact O-CD 3.22Å; M653-N657 WeakPolarHBondContact O-CB 3.5Å; M653-N657 PolarHBondContact O-N 2.89Å; M653-N657 PolarHBondContact O-ND2 3.33Å; M653-A693 HydrophobicContact CE-CB 3.35Å; M653-A693 HydrophobicContact SD-CB 4.4Å; M653-F701 HydrophobicContact CE-CE2 4.37Å; M653-F701 HydrophobicContact CG-CE2 4.37Å; M653-F701 HydrophobicContact SD-CE2 4.26Å; M653-F701 HydrophobicContact SD-CZ 4.39Å; M653-Q704 HydrophobicContact CB-CG 4.3Å; M653-Q704 HydrophobicContact CG-CB 4.32Å; M653-Q704 HydrophobicContact CG-CG 3.74Å; M653-Q704 HydrophobicContact SD-CG 4.15Å |
| 654 | L | 98.1 | Very high | 97.9 | Very high | 81 Ų | 81 | 43.7 Ų | 43.7 | 42% | 0.424 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.5 | -50.4 | -174.1 | -176.5 | 66.6 | 0 | 0 | 0 | 113.3 | E650 K651 Y652 N657 Q658 | E650-L654 PolarHBondContact O-N 3.44Å; K651-L654 VanDerWaalsContact O-CB 3.27Å; K651-L654 WeakPolarHBondContact O-CB 3.35Å; K651-L654 PolarHBondContact O-N 3.39Å; Y652-L654 VanDerWaalsContact C-N 3.34Å; L654-N657 PolarHBondContact O-N 2.86Å; L654-Q658 VanDerWaalsContact O-CG 3.31Å; L654-Q658 WeakPolarHBondContact O-CG 3.43Å; L654-Q658 PolarHBondContact O-N 3.16Å |
| 655 | L | 97.4 | Very high | 97.8 | Very high | 49 Ų | 49 | 46.6 Ų | 46.6 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.2 | -52.1 | -177.4 | -87.1 | 73.7 | 0 | 0 | 0 | 112.3 | I613 N614 M653 N657 Q658 V659 | I613-L655 HydrophobicContact CG2-CD2 4.37Å; N614-L655 HydrophobicContact CB-CD2 3.99Å; M653-L655 PolarHBondContact O-N 2.97Å; L655-N657 VanDerWaalsContact C-N 3.27Å; L655-N657 PolarHBondContact O-N 3.28Å; L655-Q658 PolarHBondContact O-N 2.78Å; L655-V659 PolarHBondContact O-N 3.4Å |
| 656 | P | 97.9 | Very high | 97.7 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 7% | 0.071 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57 | -39.9 | 174.4 | -26 | 33.7 | 0 | 0 | 0 | 113 | Y629 M653 V659 W660 I686 T689 | Y629-P656 HydrophobicContact CE1-CG 3.92Å; M653-P656 WeakPolarHBondContact O-CD 3.22Å; P656-V659 PolarHBondContact O-N 3.38Å; P656-W660 WeakPolarHBondContact O-CB 3.45Å; P656-W660 PolarHBondContact O-N 2.94Å; P656-I686 HydrophobicContact CB-CG2 4.29Å; P656-T689 HydrophobicContact CG-CG2 3.97Å |
| 657 | N | 98.4 | Very high | 97.6 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.7 | -38 | 179.7 | -77.4 | -20.9 | 0 | 0 | 0 | 112.9 | M653 L654 L655 V659 W660 D661 Q704 R707 | M653-N657 WeakPolarHBondContact O-CB 3.5Å; M653-N657 PolarHBondContact O-N 2.89Å; M653-N657 PolarHBondContact O-ND2 3.33Å; L654-N657 PolarHBondContact O-N 2.86Å; L655-N657 VanDerWaalsContact C-N 3.27Å; L655-N657 PolarHBondContact O-N 3.28Å; N657-V659 VanDerWaalsContact C-N 3.33Å; N657-V659 PolarHBondContact O-N 2.81Å; N657-W660 WeakPolarHBondContact O-CB 3.11Å; N657-W660 PolarHBondContact O-N 3.34Å; N657-D661 WeakPolarHBondContact O-CB 3.25Å; N657-D661 PolarHBondContact O-N 2.93Å; N657-Q704 PolarHBondContact ND2-OE1 3.01Å; N657-Q704 PolarHBondContact OD1-NE2 3.46Å; N657-R707 PolarHBondContact OD1-NH1 3.12Å |
| 658 | Q | 97.8 | Very high | 97.5 | Very high | 112 Ų | 112 | 48 Ų | 48 | 52% | 0.523 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 176.8 | -77 | 172.8 | -2.9 | 0 | 0 | 112.3 | L654 L655 S662 | L654-Q658 VanDerWaalsContact O-CG 3.31Å; L654-Q658 WeakPolarHBondContact O-CG 3.43Å; L654-Q658 PolarHBondContact O-N 3.16Å; L655-Q658 PolarHBondContact O-N 2.78Å; Q658-S662 WeakPolarHBondContact O-CB 3.41Å; Q658-S662 PolarHBondContact O-N 3.16Å |
| 659 | V | 97.6 | Very high | 97.3 | Very high | 62 Ų | 62 | 55.6 Ų | 55.6 | 38% | 0.376 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.2 | -42.6 | 177.3 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | L655 P656 N657 S662 I663 I686 | L655-V659 PolarHBondContact O-N 3.4Å; P656-V659 PolarHBondContact O-N 3.38Å; N657-V659 VanDerWaalsContact C-N 3.33Å; N657-V659 PolarHBondContact O-N 2.81Å; V659-S662 PolarHBondContact O-N 2.86Å; V659-I663 HydrophobicContact CG1-CD1 4.09Å; V659-I663 WeakPolarHBondContact O-CG1 3.28Å; V659-I663 PolarHBondContact O-N 3.12Å; V659-I686 HydrophobicContact CB-CD1 3.95Å; V659-I686 HydrophobicContact CG1-CD1 3.82Å |
| 660 | W | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -54.7 | -55.5 | 174.7 | 178.8 | -93.1 | 0 | 0 | 0 | 111.8 | P656 N657 S662 I663 I664 L683 I686 L687 I708 D711 M712 | P656-W660 WeakPolarHBondContact O-CB 3.45Å; P656-W660 PolarHBondContact O-N 2.94Å; N657-W660 WeakPolarHBondContact O-CB 3.11Å; N657-W660 PolarHBondContact O-N 3.34Å; W660-S662 VanDerWaalsContact C-N 3.27Å; W660-S662 PolarHBondContact O-N 2.92Å; W660-I663 PolarHBondContact O-N 3.09Å; W660-I664 HydrophobicContact CD2-CG1 4.28Å; W660-I664 HydrophobicContact CG-CG1 4.34Å; W660-I664 HydrophobicContact CZ2-CD1 3.94Å; W660-I664 HydrophobicContact CZ2-CG1 4.25Å; W660-I664 WeakPolarHBondContact O-CG1 3.33Å; W660-I664 PolarHBondContact O-N 3.33Å; W660-L683 HydrophobicContact CE3-CD2 3.78Å; W660-L683 HydrophobicContact CH2-CD2 4.38Å; W660-L683 HydrophobicContact CZ3-CD2 3.54Å; W660-I686 HydrophobicContact CB-CD1 4.44Å; W660-I686 HydrophobicContact CB-CG2 4.43Å; W660-I686 HydrophobicContact CE3-CG2 3.95Å; W660-L687 HydrophobicContact CH2-CD2 4.49Å; W660-L687 HydrophobicContact CZ3-CD2 4.15Å; W660-L687 HydrophobicContact CZ3-CG 4.47Å; W660-I708 HydrophobicContact CZ2-CB 4.37Å; W660-D711 HydrophobicContact CZ2-CB 3.98Å; W660-M712 HydrophobicContact CH2-CB 3.87Å; W660-M712 HydrophobicContact CH2-CG 4.22Å; W660-M712 HydrophobicContact CZ2-CB 3.94Å |
| 661 | D | 98.1 | Very high | 96.9 | Very high | 64 Ų | 64 | 58.2 Ų | 58.2 | 34% | 0.342 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.7 | -37.7 | -177.2 | -61.8 | -10.8 | 0 | 0 | 0 | 111.7 | N657 I664 Q665 R707 | N657-D661 WeakPolarHBondContact O-CB 3.25Å; N657-D661 PolarHBondContact O-N 2.93Å; D661-I664 PolarHBondContact O-N 3.36Å; D661-Q665 VanDerWaalsContact O-CB 3.27Å; D661-Q665 WeakPolarHBondContact O-CB 3.49Å; D661-Q665 PolarHBondContact O-N 3.38Å; D661-R707 VanDerWaalsContact CG-NH2 3.26Å; D661-R707 IonicContact OD1-CZ 2.65Å; D661-R707 IonicContact OD1-NH1 3.93Å; D661-R707 PolarHBondContact OD1-NH1 2.88Å; D661-R707 IonicContact OD1-NH2 3.48Å; D661-R707 PolarHBondContact OD1-NH2 3.1Å; D661-R707 IonicContact OD2-CZ 2.72Å; D661-R707 IonicContact OD2-NH1 3.29Å; D661-R707 IonicContact OD2-NH2 3Å; D661-R707 PolarHBondContact OD2-NH2 3.08Å |
| 662 | S | 97.8 | Very high | 96.7 | Very high | 52 Ų | 52 | 58.4 Ų | 58.4 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 174.8 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | Q658 V659 W660 Q665 Q666 | Q658-S662 WeakPolarHBondContact O-CB 3.41Å; Q658-S662 PolarHBondContact O-N 3.16Å; V659-S662 PolarHBondContact O-N 2.86Å; W660-S662 VanDerWaalsContact C-N 3.27Å; W660-S662 PolarHBondContact O-N 2.92Å; S662-Q665 PolarHBondContact O-N 3.47Å; S662-Q666 VanDerWaalsContact O-CG 3.26Å; S662-Q666 WeakPolarHBondContact O-CG 3.15Å; S662-Q666 PolarHBondContact O-N 3.32Å; S662-Q666 PolarHBondContact O-NE2 2.99Å; S662-Q666 PolarHBondContact OG-NE2 2.92Å |
| 663 | I | 97.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 177.1 | -66.1 | 170.2 | 0 | 0 | 0 | 110.2 | V659 W660 Q665 Q666 A667 I673 T679 Q682 L683 I686 | V659-I663 HydrophobicContact CG1-CD1 4.09Å; V659-I663 WeakPolarHBondContact O-CG1 3.28Å; V659-I663 PolarHBondContact O-N 3.12Å; W660-I663 PolarHBondContact O-N 3.09Å; I663-Q665 VanDerWaalsContact C-N 3.35Å; I663-Q665 PolarHBondContact O-N 3.03Å; I663-Q666 PolarHBondContact O-N 2.96Å; I663-A667 WeakPolarHBondContact O-CB 3.38Å; I663-A667 PolarHBondContact O-N 2.98Å; I663-I673 HydrophobicContact CG2-CD1 4.17Å; I663-I673 WeakPolarHBondContact O-CD1 3.29Å; I663-T679 HydrophobicContact CD1-CG2 4.32Å; I663-T679 HydrophobicContact CG1-CG2 4.3Å; I663-T679 HydrophobicContact CG2-CG2 3.67Å; I663-Q682 HydrophobicContact CD1-CB 4.07Å; I663-L683 HydrophobicContact CD1-CD2 4.24Å; I663-L683 HydrophobicContact CD1-CG 4.21Å; I663-L683 HydrophobicContact CG2-CD1 4.28Å; I663-L683 HydrophobicContact CG2-CD2 4Å; I663-L683 HydrophobicContact CG2-CG 4.23Å; I663-I686 HydrophobicContact CD1-CD1 4.34Å |
| 664 | I | 97.6 | Very high | 96.3 | Very high | 22 Ų | 22 | 59.9 Ų | 59.9 | 11% | 0.113 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62 | -41.8 | 178.7 | -62.7 | -53.5 | 0 | 0 | 0 | 111.5 | W660 D661 Q666 A667 T668 D711 V715 | W660-I664 HydrophobicContact CD2-CG1 4.28Å; W660-I664 HydrophobicContact CG-CG1 4.34Å; W660-I664 HydrophobicContact CZ2-CD1 3.94Å; W660-I664 HydrophobicContact CZ2-CG1 4.25Å; W660-I664 WeakPolarHBondContact O-CG1 3.33Å; W660-I664 PolarHBondContact O-N 3.33Å; D661-I664 PolarHBondContact O-N 3.36Å; I664-Q666 VanDerWaalsContact C-N 3.31Å; I664-Q666 PolarHBondContact O-N 2.99Å; I664-A667 PolarHBondContact O-N 3.31Å; I664-T668 WeakPolarHBondContact O-CB 3.19Å; I664-T668 PolarHBondContact O-N 3.46Å; I664-T668 PolarHBondContact O-OG1 2.94Å; I664-D711 HydrophobicContact CD1-CB 4.11Å; I664-D711 HydrophobicContact CG1-CB 4.23Å; I664-D711 HydrophobicContact CG2-CB 4.45Å; I664-V715 HydrophobicContact CD1-CG2 3.53Å |
| 665 | Q | 96.3 | Very high | 96.1 | Very high | 120 Ų | 120 | 60.6 Ų | 60.6 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.8 | -39.1 | 176.8 | -170.6 | -175.9 | 31.2 | 0 | 0 | 111.9 | D661 S662 I663 K669 | D661-Q665 VanDerWaalsContact O-CB 3.27Å; D661-Q665 WeakPolarHBondContact O-CB 3.49Å; D661-Q665 PolarHBondContact O-N 3.38Å; S662-Q665 PolarHBondContact O-N 3.47Å; I663-Q665 VanDerWaalsContact C-N 3.35Å; I663-Q665 PolarHBondContact O-N 3.03Å; Q665-K669 PolarHBondContact O-N 3.25Å |
| 666 | Q | 95.4 | Very high | 96 | Very high | 92 Ų | 92 | 62 Ų | 62 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.6 | -41.6 | 175.1 | -68.8 | 174.4 | 53.2 | 0 | 0 | 111.3 | S662 I663 I664 T668 K669 N670 I673 | S662-Q666 VanDerWaalsContact O-CG 3.26Å; S662-Q666 WeakPolarHBondContact O-CG 3.15Å; S662-Q666 PolarHBondContact O-N 3.32Å; S662-Q666 PolarHBondContact O-NE2 2.99Å; S662-Q666 PolarHBondContact OG-NE2 2.92Å; I663-Q666 PolarHBondContact O-N 2.96Å; I664-Q666 VanDerWaalsContact C-N 3.31Å; I664-Q666 PolarHBondContact O-N 2.99Å; Q666-T668 VanDerWaalsContact C-N 3.29Å; Q666-T668 PolarHBondContact O-N 2.92Å; Q666-K669 WeakPolarHBondContact O-CB 3.31Å; Q666-K669 PolarHBondContact O-N 3.11Å; Q666-N670 PolarHBondContact O-N 2.74Å; Q666-I673 HydrophobicContact CB-CD1 3.42Å; Q666-I673 VanDerWaalsContact CB-CD1 3.42Å |
| 667 | A | 95.1 | Very high | 95.9 | Very high | 13 Ų | 13 | 63.6 Ų | 63.6 | 11% | 0.107 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I663 I664 K669 N670 V671 I673 L674 | I663-A667 WeakPolarHBondContact O-CB 3.38Å; I663-A667 PolarHBondContact O-N 2.98Å; I664-A667 PolarHBondContact O-N 3.31Å; A667-K669 PolarHBondContact O-N 3.36Å; A667-N670 WeakPolarHBondContact CA-O 3.31Å; A667-N670 CarbonylContact O-C 3.56Å; A667-N670 VanDerWaalsContact O-C 3.25Å; A667-N670 PolarHBondContact O-N 3.2Å; A667-V671 PolarHBondContact O-N 2.9Å; A667-I673 HydrophobicContact CB-CD1 3.84Å; A667-I673 HydrophobicContact CB-CG1 4.11Å; A667-L674 HydrophobicContact CB-CD1 4.44Å; A667-L674 HydrophobicContact CB-CD2 4.36Å; A667-L674 HydrophobicContact CB-CG 4.32Å |
| 668 | T | 94.4 | Very high | 95.7 | Very high | 117 Ų | 117 | 67.1 Ų | 67.1 | 72% | 0.718 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61 | -33.2 | 174.6 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | I664 Q666 | I664-T668 WeakPolarHBondContact O-CB 3.19Å; I664-T668 PolarHBondContact O-N 3.46Å; I664-T668 PolarHBondContact O-OG1 2.94Å; Q666-T668 VanDerWaalsContact C-N 3.29Å; Q666-T668 PolarHBondContact O-N 2.92Å |
| 669 | K | 94.1 | Very high | 95.6 | Very high | 168 Ų | 168 | 62.6 Ų | 62.6 | 73% | 0.73 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -84.1 | -38.8 | 176.3 | -66.3 | 176.4 | -177.4 | 174.7 | 0 | 112.3 | Q665 Q666 A667 | Q665-K669 PolarHBondContact O-N 3.25Å; Q666-K669 WeakPolarHBondContact O-CB 3.31Å; Q666-K669 PolarHBondContact O-N 3.11Å; A667-K669 PolarHBondContact O-N 3.36Å |
| 670 | N | 93.9 | Very high | 95.6 | Very high | 78 Ų | 78 | 59.7 Ų | 59.7 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | trans | -150.5 | 110 | -179.1 | -178 | 8.1 | 0 | 0 | 0 | 110.8 | Q666 A667 D672 I673 | Q666-N670 PolarHBondContact O-N 2.74Å; A667-N670 WeakPolarHBondContact CA-O 3.31Å; A667-N670 CarbonylContact O-C 3.56Å; A667-N670 VanDerWaalsContact O-C 3.25Å; A667-N670 PolarHBondContact O-N 3.2Å; N670-D672 PolarHBondContact O-N 3.45Å; N670-D672 WeakPolarHBondContact OD1-CB 3.46Å; N670-D672 PolarHBondContact OD1-N 2.7Å; N670-I673 PolarHBondContact O-N 2.96Å | ||
| 671 | V | 93.9 | Very high | 95.4 | Very high | 88 Ų | 88 | 66.3 Ų | 66.3 | 53% | 0.533 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -66.3 | -18.9 | 179.6 | -62.9 | 0 | 0 | 0 | 0 | 113.7 | A667 I673 L674 | A667-V671 PolarHBondContact O-N 2.9Å; V671-I673 PolarHBondContact O-N 3.42Å; V671-L674 WeakPolarHBondContact O-CB 3.39Å; V671-L674 PolarHBondContact O-N 3.28Å |
| 672 | D | 93.1 | Very high | 95.3 | Very high | 82 Ų | 82 | 66.8 Ų | 66.8 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -67.5 | -16.3 | -178.5 | -74 | -36.1 | 0 | 0 | 0 | 113.4 | N670 L674 K675 | N670-D672 PolarHBondContact O-N 3.45Å; N670-D672 WeakPolarHBondContact OD1-CB 3.46Å; N670-D672 PolarHBondContact OD1-N 2.7Å; D672-L674 PolarHBondContact O-N 3.1Å; D672-K675 WeakPolarHBondContact O-CB 3.41Å; D672-K675 PolarHBondContact O-N 3.42Å; D672-K675 IonicContact OD1-NZ 3.43Å; D672-K675 PolarHBondContact OD1-NZ 3.34Å |
| 673 | I | 94.8 | Very high | 95.3 | Very high | 27 Ų | 27 | 64.3 Ų | 64.3 | 14% | 0.138 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -60.3 | -25.5 | 170.8 | 74.6 | 166.1 | 0 | 0 | 0 | 111.7 | I663 Q666 A667 N670 V671 K675 D676 T679 | I663-I673 HydrophobicContact CG2-CD1 4.17Å; I663-I673 WeakPolarHBondContact O-CD1 3.29Å; Q666-I673 HydrophobicContact CB-CD1 3.42Å; Q666-I673 VanDerWaalsContact CB-CD1 3.42Å; A667-I673 HydrophobicContact CB-CD1 3.84Å; A667-I673 HydrophobicContact CB-CG1 4.11Å; N670-I673 PolarHBondContact O-N 2.96Å; V671-I673 PolarHBondContact O-N 3.42Å; I673-K675 PolarHBondContact O-N 3.41Å; I673-D676 VanDerWaalsContact O-CB 3.28Å; I673-D676 WeakPolarHBondContact O-CB 3.25Å; I673-D676 PolarHBondContact O-N 3.23Å; I673-T679 HydrophobicContact CD1-CG2 4.39Å; I673-T679 HydrophobicContact CG1-CG2 4.48Å; I673-T679 WeakPolarHBondContact O-CB 3.41Å |
| 674 | L | 94.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -73.8 | -2.5 | 177.7 | -60.2 | -179.2 | 0 | 0 | 0 | 112.1 | A667 V671 D672 V680 L683 V715 C718 L719 M743 | A667-L674 HydrophobicContact CB-CD1 4.44Å; A667-L674 HydrophobicContact CB-CD2 4.36Å; A667-L674 HydrophobicContact CB-CG 4.32Å; V671-L674 WeakPolarHBondContact O-CB 3.39Å; V671-L674 PolarHBondContact O-N 3.28Å; D672-L674 PolarHBondContact O-N 3.1Å; L674-V680 VanDerWaalsContact O-CG2 3.27Å; L674-V680 WeakPolarHBondContact O-CG2 3.3Å; L674-L683 HydrophobicContact CD2-CD1 3.87Å; L674-V715 HydrophobicContact CD2-CG1 4.43Å; L674-C718 HydrophobicContact CD1-CB 3.74Å; L674-L719 HydrophobicContact CB-CD2 3.93Å; L674-L719 VanDerWaalsContact O-CD2 3.25Å; L674-L719 WeakPolarHBondContact O-CD2 3.28Å; L674-M743 WeakPolarHBondContact O-CE 3.28Å |
| 675 | K | 93.9 | Very high | 95.2 | Very high | 97 Ų | 97 | 65.3 Ų | 65.3 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -100.2 | -5.7 | 168.7 | -59.7 | 171.1 | -175.9 | 157.2 | 0 | 112.3 | D672 I673 N722 L739 M743 | D672-K675 WeakPolarHBondContact O-CB 3.41Å; D672-K675 PolarHBondContact O-N 3.42Å; D672-K675 IonicContact OD1-NZ 3.43Å; D672-K675 PolarHBondContact OD1-NZ 3.34Å; I673-K675 PolarHBondContact O-N 3.41Å; K675-N722 WeakPolarHBondContact CE-OD1 3.3Å; K675-L739 WeakPolarHBondContact O-CD2 3.46Å; K675-M743 HydrophobicContact CB-CE 4.46Å; K675-M743 HydrophobicContact CG-CE 4.4Å |
| 676 | D | 95.9 | Very high | 95.3 | Very high | 77 Ų | 77 | 60.2 Ų | 60.2 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | trans | -75.9 | 131.6 | 175.2 | 172.2 | 64.7 | 0 | 0 | 0 | 111.2 | I673 E678 T679 V680 | I673-D676 VanDerWaalsContact O-CB 3.28Å; I673-D676 WeakPolarHBondContact O-CB 3.25Å; I673-D676 PolarHBondContact O-N 3.23Å; D676-E678 PolarHBondContact O-N 2.84Å; D676-E678 WeakPolarHBondContact OD2-CB 3.47Å; D676-E678 PolarHBondContact OD2-N 3.36Å; D676-T679 PolarHBondContact O-N 3.32Å; D676-T679 WeakPolarHBondContact OD2-CB 3.5Å; D676-T679 PolarHBondContact OD2-N 3Å; D676-T679 PolarHBondContact OD2-OG1 3.35Å; D676-V680 VanDerWaalsContact O-CG2 3.31Å; D676-V680 WeakPolarHBondContact O-CG2 3.41Å; D676-V680 PolarHBondContact O-N 2.86Å; D676-V680 VanDerWaalsContact O-N 3.09Å | ||
| 677 | A | 94.3 | Very high | 95.4 | Very high | 45 Ų | 45 | 55.9 Ų | 55.9 | 37% | 0.372 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.3 | -33 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R681 L739 | A677-R681 WeakPolarHBondContact O-CB 3.32Å; A677-R681 PolarHBondContact O-N 3.09Å; A677-L739 HydrophobicContact CB-CD1 4.16Å |
| 678 | E | 95 | Very high | 95.5 | Very high | 84 Ų | 84 | 56.7 Ų | 56.7 | 39% | 0.393 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71.4 | -47.3 | 177.6 | -171.1 | 60.6 | -135.8 | 0 | 0 | 110.5 | D676 V680 R681 Q682 | D676-E678 PolarHBondContact O-N 2.84Å; D676-E678 WeakPolarHBondContact OD2-CB 3.47Å; D676-E678 PolarHBondContact OD2-N 3.36Å; E678-V680 VanDerWaalsContact C-N 3.33Å; E678-V680 PolarHBondContact O-N 2.97Å; E678-R681 WeakPolarHBondContact O-CB 3.25Å; E678-R681 PolarHBondContact O-N 2.92Å; E678-R681 VanDerWaalsContact O-N 3.08Å; E678-R681 IonicContact OE1-NH1 3.43Å; E678-R681 PolarHBondContact OE1-NH1 3.25Å; E678-R681 IonicContact OE2-CZ 3.27Å; E678-R681 IonicContact OE2-NH1 3.63Å; E678-R681 PolarHBondContact OE2-NH1 3.43Å; E678-R681 IonicContact OE2-NH2 2.65Å; E678-Q682 WeakPolarHBondContact O-CG 3.25Å; E678-Q682 PolarHBondContact O-N 2.98Å |
| 679 | T | 96.4 | Very high | 95.7 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 10% | 0.104 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.5 | -46.6 | 178.8 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | I663 I673 D676 R681 Q682 L683 | I663-T679 HydrophobicContact CD1-CG2 4.32Å; I663-T679 HydrophobicContact CG1-CG2 4.3Å; I663-T679 HydrophobicContact CG2-CG2 3.67Å; I673-T679 HydrophobicContact CD1-CG2 4.39Å; I673-T679 HydrophobicContact CG1-CG2 4.48Å; I673-T679 WeakPolarHBondContact O-CB 3.41Å; D676-T679 PolarHBondContact O-N 3.32Å; D676-T679 WeakPolarHBondContact OD2-CB 3.5Å; D676-T679 PolarHBondContact OD2-N 3Å; D676-T679 PolarHBondContact OD2-OG1 3.35Å; T679-R681 VanDerWaalsContact C-N 3.34Å; T679-R681 PolarHBondContact O-N 2.64Å; T679-Q682 PolarHBondContact O-N 3.08Å; T679-L683 HydrophobicContact CG2-CD1 4.44Å; T679-L683 WeakPolarHBondContact O-CG 3.22Å; T679-L683 PolarHBondContact O-N 3Å |
| 680 | V | 96.4 | Very high | 96 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -36.8 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | L674 D676 E678 L683 G684 L719 L739 S742 M743 V746 | L674-V680 VanDerWaalsContact O-CG2 3.27Å; L674-V680 WeakPolarHBondContact O-CG2 3.3Å; D676-V680 VanDerWaalsContact O-CG2 3.31Å; D676-V680 WeakPolarHBondContact O-CG2 3.41Å; D676-V680 PolarHBondContact O-N 2.86Å; D676-V680 VanDerWaalsContact O-N 3.09Å; E678-V680 VanDerWaalsContact C-N 3.33Å; E678-V680 PolarHBondContact O-N 2.97Å; V680-L683 PolarHBondContact O-N 2.8Å; V680-G684 PolarHBondContact O-N 2.88Å; V680-L719 HydrophobicContact CG2-CD2 4.37Å; V680-L739 HydrophobicContact CG2-CD1 4.37Å; V680-S742 VanDerWaalsContact CG1-C 3.43Å; V680-S742 WeakPolarHBondContact CG1-OG 3.46Å; V680-M743 HydrophobicContact CG1-CB 4.43Å; V680-M743 HydrophobicContact CG1-CG 3.95Å; V680-M743 HydrophobicContact CG2-CG 4.25Å; V680-V746 HydrophobicContact CG1-CG2 3.86Å; V680-V746 WeakPolarHBondContact O-CG2 3.42Å |
| 681 | R | 94.4 | Very high | 96.2 | Very high | 139 Ų | 139 | 41.1 Ų | 41.1 | 53% | 0.525 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.4 | -41.6 | 175.8 | -163 | -172.7 | -49 | 121 | 11.3 | 111.7 | A677 E678 T679 G684 S685 | A677-R681 WeakPolarHBondContact O-CB 3.32Å; A677-R681 PolarHBondContact O-N 3.09Å; E678-R681 WeakPolarHBondContact O-CB 3.25Å; E678-R681 PolarHBondContact O-N 2.92Å; E678-R681 VanDerWaalsContact O-N 3.08Å; E678-R681 IonicContact OE1-NH1 3.43Å; E678-R681 PolarHBondContact OE1-NH1 3.25Å; E678-R681 IonicContact OE2-CZ 3.27Å; E678-R681 IonicContact OE2-NH1 3.63Å; E678-R681 PolarHBondContact OE2-NH1 3.43Å; E678-R681 IonicContact OE2-NH2 2.65Å; T679-R681 VanDerWaalsContact C-N 3.34Å; T679-R681 PolarHBondContact O-N 2.64Å; R681-G684 PolarHBondContact O-N 3.27Å; R681-S685 PolarHBondContact O-N 3.46Å |
| 682 | Q | 96.1 | Very high | 96.4 | Very high | 75 Ų | 75 | 41.4 Ų | 41.4 | 35% | 0.35 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 175.1 | -71.4 | -179.9 | -6.5 | 0 | 0 | 111.4 | I663 E678 T679 G684 S685 I686 | I663-Q682 HydrophobicContact CD1-CB 4.07Å; E678-Q682 WeakPolarHBondContact O-CG 3.25Å; E678-Q682 PolarHBondContact O-N 2.98Å; T679-Q682 PolarHBondContact O-N 3.08Å; Q682-G684 VanDerWaalsContact C-N 3.31Å; Q682-G684 PolarHBondContact O-N 3.02Å; Q682-S685 PolarHBondContact O-N 3.19Å; Q682-I686 VanDerWaalsContact O-CG1 3.28Å; Q682-I686 WeakPolarHBondContact O-CG1 3.47Å; Q682-I686 PolarHBondContact O-N 3.43Å |
| 683 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.8 | -45.6 | 173.4 | -74.3 | 169.1 | 0 | 0 | 0 | 111.8 | W660 I663 L674 T679 V680 S685 I686 L687 V715 V746 | W660-L683 HydrophobicContact CE3-CD2 3.78Å; W660-L683 HydrophobicContact CH2-CD2 4.38Å; W660-L683 HydrophobicContact CZ3-CD2 3.54Å; I663-L683 HydrophobicContact CD1-CD2 4.24Å; I663-L683 HydrophobicContact CD1-CG 4.21Å; I663-L683 HydrophobicContact CG2-CD1 4.28Å; I663-L683 HydrophobicContact CG2-CD2 4Å; I663-L683 HydrophobicContact CG2-CG 4.23Å; L674-L683 HydrophobicContact CD2-CD1 3.87Å; T679-L683 HydrophobicContact CG2-CD1 4.44Å; T679-L683 WeakPolarHBondContact O-CG 3.22Å; T679-L683 PolarHBondContact O-N 3Å; V680-L683 PolarHBondContact O-N 2.8Å; L683-S685 PolarHBondContact O-N 3.36Å; L683-I686 PolarHBondContact O-N 3.46Å; L683-L687 WeakPolarHBondContact O-CG 3.38Å; L683-L687 PolarHBondContact O-N 3.4Å; L683-V715 HydrophobicContact CD1-CG1 3.96Å; L683-V746 HydrophobicContact CB-CG1 4.35Å; L683-V746 HydrophobicContact CB-CG2 3.91Å |
| 684 | G | 96.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V680 R681 Q682 L687 K688 | V680-G684 PolarHBondContact O-N 2.88Å; R681-G684 PolarHBondContact O-N 3.27Å; Q682-G684 VanDerWaalsContact C-N 3.31Å; Q682-G684 PolarHBondContact O-N 3.02Å; G684-L687 PolarHBondContact O-N 2.92Å; G684-K688 VanDerWaalsContact O-CG 3.32Å; G684-K688 WeakPolarHBondContact O-CG 3.42Å; G684-K688 PolarHBondContact O-N 2.96Å |
| 685 | S | 96.4 | Very high | 97 | Very high | 43 Ų | 43 | 40.2 Ų | 40.2 | 30% | 0.301 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.2 | -42.9 | 177 | -168 | 0 | 0 | 0 | 0 | 112.7 | H626 R681 Q682 L683 L687 K688 T689 | H626-S685 PolarHBondContact NE2-O 3.2Å; R681-S685 PolarHBondContact O-N 3.46Å; Q682-S685 PolarHBondContact O-N 3.19Å; L683-S685 PolarHBondContact O-N 3.36Å; S685-L687 PolarHBondContact O-N 3.04Å; S685-K688 PolarHBondContact O-N 3.4Å; S685-T689 PolarHBondContact O-N 2.95Å; S685-T689 PolarHBondContact O-OG1 3.43Å |
| 686 | I | 98.4 | Very high | 97.1 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 6% | 0.062 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 177 | -67.8 | 162.7 | 0 | 0 | 0 | 110.5 | P656 V659 W660 I663 Q682 L683 T689 N690 | P656-I686 HydrophobicContact CB-CG2 4.29Å; V659-I686 HydrophobicContact CB-CD1 3.95Å; V659-I686 HydrophobicContact CG1-CD1 3.82Å; W660-I686 HydrophobicContact CB-CD1 4.44Å; W660-I686 HydrophobicContact CB-CG2 4.43Å; W660-I686 HydrophobicContact CE3-CG2 3.95Å; I663-I686 HydrophobicContact CD1-CD1 4.34Å; Q682-I686 VanDerWaalsContact O-CG1 3.28Å; Q682-I686 WeakPolarHBondContact O-CG1 3.47Å; Q682-I686 PolarHBondContact O-N 3.43Å; L683-I686 PolarHBondContact O-N 3.46Å; I686-T689 WeakPolarHBondContact O-CB 3.37Å; I686-T689 PolarHBondContact O-N 2.93Å; I686-N690 PolarHBondContact O-N 3Å; I686-N690 PolarHBondContact O-ND2 2.87Å |
| 687 | L | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.1 | -41.7 | 178.8 | -69.7 | 177.6 | 0 | 0 | 0 | 111.9 | W660 L683 G684 S685 T689 N690 V691 M712 V746 E749 T750 L753 | W660-L687 HydrophobicContact CH2-CD2 4.49Å; W660-L687 HydrophobicContact CZ3-CD2 4.15Å; W660-L687 HydrophobicContact CZ3-CG 4.47Å; L683-L687 WeakPolarHBondContact O-CG 3.38Å; L683-L687 PolarHBondContact O-N 3.4Å; G684-L687 PolarHBondContact O-N 2.92Å; S685-L687 PolarHBondContact O-N 3.04Å; L687-T689 VanDerWaalsContact C-N 3.26Å; L687-T689 PolarHBondContact O-N 3.01Å; L687-N690 CarbonylContact O-C 3.25Å; L687-N690 WeakPolarHBondContact O-CB 3.41Å; L687-N690 PolarHBondContact O-N 3.5Å; L687-N690 VanDerWaalsContact O-N 3.08Å; L687-V691 WeakPolarHBondContact O-CG2 3.29Å; L687-V691 PolarHBondContact O-N 3.33Å; L687-M712 HydrophobicContact CD2-CG 4.11Å; L687-M712 HydrophobicContact CD2-SD 3.68Å; L687-V746 HydrophobicContact CD1-CB 4.46Å; L687-V746 HydrophobicContact CD1-CG1 3.65Å; L687-V746 WeakPolarHBondContact CD1-O 3.4Å; L687-E749 HydrophobicContact CB-CB 3.78Å; L687-E749 HydrophobicContact CD1-CB 4.39Å; L687-T750 VanDerWaalsContact CD1-OG1 3.32Å; L687-T750 WeakPolarHBondContact CD1-OG1 3.49Å; L687-L753 HydrophobicContact CD2-CD2 4.38Å |
| 688 | K | 97.6 | Very high | 97.4 | Very high | 31 Ų | 31 | 31.5 Ų | 31.5 | 14% | 0.135 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.7 | -40.9 | 173.1 | -75.6 | 175.3 | 177.1 | -174.7 | 0 | 112.1 | E434 H626 G684 S685 V691 R692 E749 | E434-K688 IonicContact OE1-NZ 2.59Å; E434-K688 PolarHBondContact OE1-NZ 3.04Å; E434-K688 IonicContact OE2-NZ 2.79Å; E434-K688 PolarHBondContact OE2-NZ 3.42Å; H626-K688 VanDerWaalsContact CE1-CB 3.48Å; H626-K688 WeakPolarHBondContact CE1-CB 3.45Å; G684-K688 VanDerWaalsContact O-CG 3.32Å; G684-K688 WeakPolarHBondContact O-CG 3.42Å; G684-K688 PolarHBondContact O-N 2.96Å; S685-K688 PolarHBondContact O-N 3.4Å; K688-V691 PolarHBondContact O-N 2.97Å; K688-R692 WeakPolarHBondContact O-CG 3.45Å; K688-R692 PolarHBondContact O-N 2.86Å; K688-E749 HydrophobicContact CG-CG 3.79Å; K688-E749 WeakPolarHBondContact CG-OE2 3.39Å |
| 689 | T | 98.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 4% | 0.043 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 174.2 | -56.6 | 0 | 0 | 0 | 0 | 111 | H626 Y629 P656 S685 I686 L687 V691 R692 A693 | H626-T689 PolarHBondContact CD2-OG1 3.1Å; H626-T689 VanDerWaalsContact CD2-OG1 3.3Å; Y629-T689 HydrophobicContact CD1-CG2 3.53Å; Y629-T689 HydrophobicContact CD2-CG2 3.94Å; Y629-T689 HydrophobicContact CE1-CG2 3.95Å; Y629-T689 HydrophobicContact CE2-CG2 4.3Å; Y629-T689 HydrophobicContact CG-CG2 3.54Å; P656-T689 HydrophobicContact CG-CG2 3.97Å; S685-T689 PolarHBondContact O-N 2.95Å; S685-T689 PolarHBondContact O-OG1 3.43Å; I686-T689 WeakPolarHBondContact O-CB 3.37Å; I686-T689 PolarHBondContact O-N 2.93Å; L687-T689 VanDerWaalsContact C-N 3.26Å; L687-T689 PolarHBondContact O-N 3.01Å; T689-V691 PolarHBondContact O-N 3.03Å; T689-R692 PolarHBondContact O-N 3.45Å; T689-A693 WeakPolarHBondContact O-CB 3.48Å; T689-A693 PolarHBondContact O-N 3.45Å |
| 690 | N | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.2 | -39.8 | 176 | -80.2 | -92.8 | 0 | 0 | 0 | 112.3 | I686 L687 A693 C694 F701 Q704 L753 | I686-N690 PolarHBondContact O-N 3Å; I686-N690 PolarHBondContact O-ND2 2.87Å; L687-N690 CarbonylContact O-C 3.25Å; L687-N690 WeakPolarHBondContact O-CB 3.41Å; L687-N690 PolarHBondContact O-N 3.5Å; L687-N690 VanDerWaalsContact O-N 3.08Å; N690-A693 PolarHBondContact O-N 3.46Å; N690-C694 WeakPolarHBondContact O-CB 3.43Å; N690-C694 PolarHBondContact O-N 2.56Å; N690-F701 HydrophobicContact CB-CZ 4.24Å; N690-Q704 PolarHBondContact OD1-NE2 3.22Å; N690-Q704 VanDerWaalsContact OD1-NE2 3.09Å; N690-L753 HydrophobicContact CB-CD1 4.1Å; N690-L753 HydrophobicContact CB-CD2 3.7Å |
| 691 | V | 98.6 | Very high | 97.7 | Very high | 28 Ų | 28 | 30.6 Ų | 30.6 | 17% | 0.17 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 176.5 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | L687 K688 T689 C694 K695 K752 L753 | L687-V691 WeakPolarHBondContact O-CG2 3.29Å; L687-V691 PolarHBondContact O-N 3.33Å; K688-V691 PolarHBondContact O-N 2.97Å; T689-V691 PolarHBondContact O-N 3.03Å; V691-C694 PolarHBondContact O-N 3.18Å; V691-K695 WeakPolarHBondContact O-CB 3.39Å; V691-K695 PolarHBondContact O-N 3.41Å; V691-K752 HydrophobicContact CG2-CB 4.26Å; V691-L753 HydrophobicContact CG2-CB 3.76Å; V691-L753 HydrophobicContact CG2-CD1 4.4Å |
| 692 | R | 98.1 | Very high | 97.9 | Very high | 94 Ų | 94 | 25.6 Ų | 25.6 | 36% | 0.355 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -64.2 | -45.3 | 177.3 | -69.8 | -37.1 | -173.7 | 114 | 1.2 | 112.2 | H626 E630 K688 T689 K695 A696 | H626-R692 HydrophobicContact CB-CG 3.82Å; E630-R692 HydrophobicContact CB-CB 4Å; E630-R692 HydrophobicContact CG-CB 4.38Å; E630-R692 WeakPolarHBondContact OE2-CD 3.46Å; E630-R692 IonicContact OE2-CZ 3.18Å; E630-R692 IonicContact OE2-NE 3.41Å; E630-R692 IonicContact OE2-NH1 3.78Å; E630-R692 PolarHBondContact OE2-NH1 3.31Å; K688-R692 WeakPolarHBondContact O-CG 3.45Å; K688-R692 PolarHBondContact O-N 2.86Å; T689-R692 PolarHBondContact O-N 3.45Å; R692-K695 PolarHBondContact O-N 3.49Å; R692-A696 PolarHBondContact O-N 2.85Å |
| 693 | A | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.3 | -50.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y652 M653 T689 N690 K695 A696 V697 F701 | Y652-A693 HydrophobicContact CE1-CB 3.75Å; Y652-A693 WeakPolarHBondContact OH-CA 3.41Å; Y652-A693 WeakPolarHBondContact OH-CB 3.44Å; M653-A693 HydrophobicContact CE-CB 3.35Å; M653-A693 HydrophobicContact SD-CB 4.4Å; T689-A693 WeakPolarHBondContact O-CB 3.48Å; T689-A693 PolarHBondContact O-N 3.45Å; N690-A693 PolarHBondContact O-N 3.46Å; A693-K695 VanDerWaalsContact C-N 3.32Å; A693-K695 PolarHBondContact O-N 2.87Å; A693-A696 PolarHBondContact O-N 3.12Å; A693-A696 VanDerWaalsContact O-N 3.16Å; A693-V697 WeakPolarHBondContact O-CB 3.48Å; A693-V697 WeakPolarHBondContact O-CG2 3.33Å; A693-V697 PolarHBondContact O-N 3.36Å; A693-F701 HydrophobicContact CB-CD2 4.32Å; A693-F701 HydrophobicContact CB-CE2 3.53Å; A693-F701 HydrophobicContact CB-CZ 3.96Å |
| 694 | C | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.5 | -43.2 | 178.5 | 180 | 0 | 0 | 0 | 0 | 112.2 | N690 V691 A696 G698 F701 L753 W757 | N690-C694 WeakPolarHBondContact O-CB 3.43Å; N690-C694 PolarHBondContact O-N 2.56Å; V691-C694 PolarHBondContact O-N 3.18Å; C694-A696 PolarHBondContact O-N 2.92Å; C694-G698 PolarHBondContact O-N 3.12Å; C694-F701 HydrophobicContact CB-CD1 3.5Å; C694-F701 VanDerWaalsContact CB-CD1 3.5Å; C694-F701 HydrophobicContact CB-CE1 3.7Å; C694-F701 HydrophobicContact CB-CG 3.97Å; C694-F701 HydrophobicContact CB-CZ 4.31Å; C694-L753 HydrophobicContact CB-CD1 3.69Å; C694-W757 WeakPolarHBondContact SG-CA 3.3Å; C694-W757 WeakPolarHBondContact SG-CB 3.48Å |
| 695 | K | 98 | Very high | 98.1 | Very high | 87 Ų | 87 | 24.3 Ų | 24.3 | 38% | 0.378 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -58.2 | -39.6 | 178.5 | 178.5 | -173.5 | 170.6 | -153 | 0 | 111.8 | E630 V691 R692 A693 R760 | E630-K695 WeakPolarHBondContact OE1-CE 3.49Å; E630-K695 IonicContact OE1-NZ 3.83Å; E630-K695 PolarHBondContact OE1-NZ 3.06Å; E630-K695 IonicContact OE2-NZ 3.74Å; V691-K695 WeakPolarHBondContact O-CB 3.39Å; V691-K695 PolarHBondContact O-N 3.41Å; R692-K695 PolarHBondContact O-N 3.49Å; A693-K695 VanDerWaalsContact C-N 3.32Å; A693-K695 PolarHBondContact O-N 2.87Å; K695-R760 PolarHBondContact O-NE 3.03Å |
| 696 | A | 97.9 | Very high | 98.1 | Very high | 12 Ų | 12 | 24.1 Ų | 24.1 | 10% | 0.099 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -84.8 | -41 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E630 Y634 R692 A693 C694 | E630-A696 HydrophobicContact CG-CB 3.95Å; E630-A696 WeakPolarHBondContact O-CB 3.47Å; Y634-A696 HydrophobicContact CD1-CB 3.91Å; Y634-A696 HydrophobicContact CD2-CB 3.96Å; Y634-A696 HydrophobicContact CE1-CB 3.91Å; Y634-A696 HydrophobicContact CE2-CB 3.94Å; Y634-A696 HydrophobicContact CG-CB 3.93Å; R692-A696 PolarHBondContact O-N 2.85Å; A693-A696 PolarHBondContact O-N 3.12Å; A693-A696 VanDerWaalsContact O-N 3.16Å; C694-A696 PolarHBondContact O-N 2.92Å |
| 697 | V | 98.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 7% | 0.067 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -76.2 | -39.2 | -179.8 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | I636 I649 Y652 A693 P700 F701 | I636-V697 HydrophobicContact CB-CG2 4.43Å; I636-V697 HydrophobicContact CG2-CG2 4.4Å; I649-V697 HydrophobicContact CD1-CG1 3.95Å; I649-V697 HydrophobicContact CG1-CG1 4.46Å; Y652-V697 HydrophobicContact CE1-CG2 4.4Å; A693-V697 WeakPolarHBondContact O-CB 3.48Å; A693-V697 WeakPolarHBondContact O-CG2 3.33Å; A693-V697 PolarHBondContact O-N 3.36Å; V697-P700 HydrophobicContact CG1-CB 4.19Å; V697-F701 HydrophobicContact CB-CB 4.19Å; V697-F701 HydrophobicContact CB-CD2 4.29Å; V697-F701 HydrophobicContact CG1-CB 4.06Å; V697-F701 HydrophobicContact CG2-CD2 4.42Å |
| 698 | G | 97.5 | Very high | 98.1 | Very high | 12 Ų | 12 | 28.7 Ų | 28.7 | 12% | 0.124 | 15% | 0.151 | C | C | . | . | trans | 80.7 | -144.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C694 P700 F701 | C694-G698 PolarHBondContact O-N 3.12Å; G698-P700 VanDerWaalsContact C-CD 3.46Å; G698-F701 WeakPolarHBondContact O-CB 3.5Å; G698-F701 PolarHBondContact O-N 3.22Å; G698-F701 VanDerWaalsContact O-N 3.12Å | ||
| 699 | H | 97.6 | Very high | 98.1 | Very high | 49 Ų | 49 | 27.6 Ų | 27.6 | 23% | 0.227 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -51.3 | -44.8 | -174.6 | 177.2 | 65.9 | 0 | 0 | 0 | 115 | F701 V702 W757 S762 | H699-F701 PolarHBondContact O-N 3.14Å; H699-V702 PolarHBondContact O-N 3.17Å; H699-W757 PolarHBondContact O-NE1 3.47Å; H699-W757 VanDerWaalsContact O-NE1 3.1Å; H699-S762 PolarHBondContact CD2-OG 2.79Å; H699-S762 VanDerWaalsContact CG-OG 3.29Å; H699-S762 PolarHBondContact ND1-N 3.34Å; H699-S762 PolarHBondContact NE2-OG 3.29Å |
| 700 | P | 98.1 | Very high | 98.1 | Very high | 35 Ų | 35 | 32.4 Ų | 32.4 | 23% | 0.227 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -60.8 | -14.8 | -178.8 | -24.9 | 35.9 | 0 | 0 | 0 | 114.9 | I649 V697 G698 V702 V703 | I649-P700 HydrophobicContact CD1-CB 4.15Å; I649-P700 WeakPolarHBondContact CD1-O 3.29Å; V697-P700 HydrophobicContact CG1-CB 4.19Å; G698-P700 VanDerWaalsContact C-CD 3.46Å; P700-V702 PolarHBondContact O-N 3.2Å; P700-V703 PolarHBondContact O-N 2.94Å |
| 701 | F | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -62.1 | -8 | 172.9 | -164.1 | -101.5 | 0 | 0 | 0 | 113.4 | M653 N690 A693 C694 V697 G698 H699 V703 Q704 L705 L753 | M653-F701 HydrophobicContact CE-CE2 4.37Å; M653-F701 HydrophobicContact CG-CE2 4.37Å; M653-F701 HydrophobicContact SD-CE2 4.26Å; M653-F701 HydrophobicContact SD-CZ 4.39Å; N690-F701 HydrophobicContact CB-CZ 4.24Å; A693-F701 HydrophobicContact CB-CD2 4.32Å; A693-F701 HydrophobicContact CB-CE2 3.53Å; A693-F701 HydrophobicContact CB-CZ 3.96Å; C694-F701 HydrophobicContact CB-CD1 3.5Å; C694-F701 VanDerWaalsContact CB-CD1 3.5Å; C694-F701 HydrophobicContact CB-CE1 3.7Å; C694-F701 HydrophobicContact CB-CG 3.97Å; C694-F701 HydrophobicContact CB-CZ 4.31Å; V697-F701 HydrophobicContact CB-CB 4.19Å; V697-F701 HydrophobicContact CB-CD2 4.29Å; V697-F701 HydrophobicContact CG1-CB 4.06Å; V697-F701 HydrophobicContact CG2-CD2 4.42Å; G698-F701 WeakPolarHBondContact O-CB 3.5Å; G698-F701 PolarHBondContact O-N 3.22Å; G698-F701 VanDerWaalsContact O-N 3.12Å; H699-F701 PolarHBondContact O-N 3.14Å; F701-V703 PolarHBondContact O-N 3.09Å; F701-V703 VanDerWaalsContact O-N 3.16Å; F701-Q704 HydrophobicContact CD1-CB 4.5Å; F701-Q704 HydrophobicContact CD2-CB 4.17Å; F701-Q704 HydrophobicContact CE1-CB 4.18Å; F701-Q704 HydrophobicContact CE1-CG 3.89Å; F701-Q704 HydrophobicContact CE2-CB 3.83Å; F701-Q704 HydrophobicContact CE2-CG 3.71Å; F701-Q704 HydrophobicContact CG-CB 4.49Å; F701-Q704 HydrophobicContact CZ-CB 3.86Å; F701-Q704 HydrophobicContact CZ-CG 3.36Å; F701-Q704 PolarHBondContact O-N 2.74Å; F701-Q704 VanDerWaalsContact O-N 3.09Å; F701-L705 HydrophobicContact CD1-CB 4.34Å; F701-L705 PolarHBondContact O-N 3.28Å; F701-L753 HydrophobicContact CE1-CD1 4.04Å |
| 702 | V | 97.9 | Very high | 98 | Very high | 33 Ų | 33 | 34 Ų | 34 | 20% | 0.2 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -51.8 | -33.1 | 174.2 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | H699 P700 L705 G706 W757 M766 F771 | H699-V702 PolarHBondContact O-N 3.17Å; P700-V702 PolarHBondContact O-N 3.2Å; V702-L705 PolarHBondContact O-N 2.99Å; V702-G706 PolarHBondContact O-N 3.37Å; V702-W757 HydrophobicContact CB-CH2 4.48Å; V702-W757 HydrophobicContact CB-CZ2 3.51Å; V702-W757 HydrophobicContact CG2-CH2 3.89Å; V702-W757 HydrophobicContact CG2-CZ2 3.39Å; V702-M766 HydrophobicContact CG2-CE 4.18Å; V702-M766 HydrophobicContact CG2-SD 4.27Å; V702-F771 HydrophobicContact CG2-CE2 3.95Å; V702-F771 HydrophobicContact CG2-CZ 3.71Å |
| 703 | V | 97.4 | Very high | 98 | Very high | 47 Ų | 47 | 29.7 Ų | 29.7 | 29% | 0.285 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 178.1 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | E646 P700 F701 R707 | E646-V703 HydrophobicContact CG-CG2 3.86Å; P700-V703 PolarHBondContact O-N 2.94Å; F701-V703 PolarHBondContact O-N 3.09Å; F701-V703 VanDerWaalsContact O-N 3.16Å; V703-R707 PolarHBondContact O-N 3.42Å |
| 704 | Q | 98.4 | Very high | 97.9 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 2% | 0.023 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71 | -43.7 | 175.3 | 171.1 | 60.2 | 19.6 | 0 | 0 | 111.6 | I649 M653 N657 N690 F701 R707 I708 | I649-Q704 HydrophobicContact CG2-CB 3.92Å; M653-Q704 HydrophobicContact CB-CG 4.3Å; M653-Q704 HydrophobicContact CG-CB 4.32Å; M653-Q704 HydrophobicContact CG-CG 3.74Å; M653-Q704 HydrophobicContact SD-CG 4.15Å; N657-Q704 PolarHBondContact ND2-OE1 3.01Å; N657-Q704 PolarHBondContact OD1-NE2 3.46Å; N690-Q704 PolarHBondContact OD1-NE2 3.22Å; N690-Q704 VanDerWaalsContact OD1-NE2 3.09Å; F701-Q704 HydrophobicContact CD1-CB 4.5Å; F701-Q704 HydrophobicContact CD2-CB 4.17Å; F701-Q704 HydrophobicContact CE1-CB 4.18Å; F701-Q704 HydrophobicContact CE1-CG 3.89Å; F701-Q704 HydrophobicContact CE2-CB 3.83Å; F701-Q704 HydrophobicContact CE2-CG 3.71Å; F701-Q704 HydrophobicContact CG-CB 4.49Å; F701-Q704 HydrophobicContact CZ-CB 3.86Å; F701-Q704 HydrophobicContact CZ-CG 3.36Å; F701-Q704 PolarHBondContact O-N 2.74Å; F701-Q704 VanDerWaalsContact O-N 3.09Å; Q704-R707 WeakPolarHBondContact O-CB 3.39Å; Q704-R707 PolarHBondContact O-N 3.4Å; Q704-I708 PolarHBondContact O-N 3.33Å |
| 705 | L | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -49 | -179.8 | -179.7 | 61.8 | 0 | 0 | 0 | 110.7 | F701 V702 R707 I708 Y709 M712 L753 W757 F771 | F701-L705 HydrophobicContact CD1-CB 4.34Å; F701-L705 PolarHBondContact O-N 3.28Å; V702-L705 PolarHBondContact O-N 2.99Å; L705-R707 VanDerWaalsContact C-N 3.26Å; L705-R707 PolarHBondContact O-N 3.2Å; L705-I708 PolarHBondContact O-N 3.44Å; L705-I708 VanDerWaalsContact O-N 3.16Å; L705-Y709 HydrophobicContact CD1-CD2 3.95Å; L705-Y709 HydrophobicContact CG-CD2 4.11Å; L705-Y709 WeakPolarHBondContact O-CA 3.13Å; L705-Y709 VanDerWaalsContact O-CB 3.26Å; L705-Y709 WeakPolarHBondContact O-CB 3.33Å; L705-Y709 PolarHBondContact O-N 3.38Å; L705-M712 HydrophobicContact CD1-CE 4.1Å; L705-L753 HydrophobicContact CD1-CD2 4.05Å; L705-L753 HydrophobicContact CD1-CG 4.04Å; L705-W757 HydrophobicContact CD2-CB 3.83Å; L705-W757 HydrophobicContact CD2-CD2 3.47Å; L705-W757 VanDerWaalsContact CD2-CD2 3.47Å; L705-W757 HydrophobicContact CD2-CE3 3.48Å; L705-W757 VanDerWaalsContact CD2-CE3 3.48Å; L705-W757 HydrophobicContact CD2-CG 3.61Å; L705-W757 HydrophobicContact CD2-CZ3 4.22Å; L705-F771 HydrophobicContact CD2-CD1 4.31Å; L705-F771 HydrophobicContact CD2-CE1 3.95Å; L705-F771 HydrophobicContact CG-CE1 4.01Å |
| 706 | G | 97.3 | Very high | 97.9 | Very high | 40 Ų | 40 | 30.5 Ų | 30.5 | 41% | 0.412 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58 | -36.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V702 I708 | V702-G706 PolarHBondContact O-N 3.37Å; G706-I708 PolarHBondContact O-N 2.9Å |
| 707 | R | 98 | Very high | 97.8 | Very high | 108 Ų | 108 | 33.1 Ų | 33.1 | 41% | 0.408 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57.6 | -44.6 | 175 | -179.3 | -167.3 | -175.3 | -81.9 | -4.9 | 112.8 | N657 D661 V703 Q704 L705 | N657-R707 PolarHBondContact OD1-NH1 3.12Å; D661-R707 VanDerWaalsContact CG-NH2 3.26Å; D661-R707 IonicContact OD1-CZ 2.65Å; D661-R707 IonicContact OD1-NH1 3.93Å; D661-R707 PolarHBondContact OD1-NH1 2.88Å; D661-R707 IonicContact OD1-NH2 3.48Å; D661-R707 PolarHBondContact OD1-NH2 3.1Å; D661-R707 IonicContact OD2-CZ 2.72Å; D661-R707 IonicContact OD2-NH1 3.29Å; D661-R707 IonicContact OD2-NH2 3Å; D661-R707 PolarHBondContact OD2-NH2 3.08Å; V703-R707 PolarHBondContact O-N 3.42Å; Q704-R707 WeakPolarHBondContact O-CB 3.39Å; Q704-R707 PolarHBondContact O-N 3.4Å; L705-R707 VanDerWaalsContact C-N 3.26Å; L705-R707 PolarHBondContact O-N 3.2Å |
| 708 | I | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -101.5 | -5.6 | -173.5 | 66.6 | 173.6 | 0 | 0 | 0 | 113.5 | W660 Q704 L705 G706 L710 D711 M712 L753 | W660-I708 HydrophobicContact CZ2-CB 4.37Å; Q704-I708 PolarHBondContact O-N 3.33Å; L705-I708 PolarHBondContact O-N 3.44Å; L705-I708 VanDerWaalsContact O-N 3.16Å; G706-I708 PolarHBondContact O-N 2.9Å; I708-L710 PolarHBondContact O-N 2.85Å; I708-D711 PolarHBondContact O-N 3.11Å; I708-M712 WeakPolarHBondContact O-CB 3.38Å; I708-M712 PolarHBondContact O-N 3Å; I708-L753 HydrophobicContact CD1-CD2 4.34Å |
| 709 | Y | 98.2 | Very high | 97.7 | Very high | 9 Ų | 9 | 34 Ų | 34 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.6 | -53.7 | -163.3 | -167.5 | -117.5 | 0 | 0 | 0 | 113.6 | L705 M712 L713 I754 F771 P774 | L705-Y709 HydrophobicContact CD1-CD2 3.95Å; L705-Y709 HydrophobicContact CG-CD2 4.11Å; L705-Y709 WeakPolarHBondContact O-CA 3.13Å; L705-Y709 VanDerWaalsContact O-CB 3.26Å; L705-Y709 WeakPolarHBondContact O-CB 3.33Å; L705-Y709 PolarHBondContact O-N 3.38Å; Y709-M712 HydrophobicContact CD2-CE 3.94Å; Y709-M712 HydrophobicContact CE2-CE 4.26Å; Y709-M712 WeakPolarHBondContact O-CB 3.4Å; Y709-M712 PolarHBondContact O-N 3.37Å; Y709-L713 HydrophobicContact CD1-CD1 4.11Å; Y709-L713 HydrophobicContact CE1-CD1 3.65Å; Y709-L713 WeakPolarHBondContact O-CG 3.26Å; Y709-L713 PolarHBondContact O-N 2.97Å; Y709-I754 HydrophobicContact CE2-CD1 4Å; Y709-I754 HydrophobicContact CE2-CG1 4.01Å; Y709-F771 AromaticContact CD1-CD1 3.92Å; Y709-F771 HydrophobicContact CD1-CD1 3.92Å; Y709-F771 HydrophobicContact CD1-CE1 4.3Å; Y709-F771 AromaticContact CD2-CD1 3.89Å; Y709-F771 HydrophobicContact CD2-CD1 3.89Å; Y709-F771 HydrophobicContact CD2-CE1 4.13Å; Y709-F771 HydrophobicContact CE1-CB 4.36Å; Y709-F771 AromaticContact CE1-CD1 3.81Å; Y709-F771 HydrophobicContact CE1-CD1 3.81Å; Y709-F771 HydrophobicContact CE1-CG 4.48Å; Y709-F771 AromaticContact CE2-CD1 3.8Å; Y709-F771 HydrophobicContact CE2-CD1 3.8Å; Y709-F771 HydrophobicContact CE2-CE1 4.48Å; Y709-F771 AromaticContact CG-CD1 3.97Å; Y709-F771 HydrophobicContact CG-CD1 3.97Å; Y709-F771 HydrophobicContact CG-CE1 4.06Å; Y709-F771 AromaticContact CZ-CD1 3.77Å; Y709-F771 PolarHBondContact OH-O 3.04Å; Y709-P774 HydrophobicContact CE1-CB 4.07Å; Y709-P774 HydrophobicContact CE1-CG 4.3Å |
| 710 | L | 97.8 | Very high | 97.7 | Very high | 108 Ų | 108 | 31.7 Ų | 31.7 | 57% | 0.565 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -69.2 | -40.7 | -176.3 | -63.1 | 178.9 | 0 | 0 | 0 | 112 | I708 M712 L713 N714 P774 | I708-L710 PolarHBondContact O-N 2.85Å; L710-M712 VanDerWaalsContact C-N 3.29Å; L710-M712 PolarHBondContact O-N 3.34Å; L710-L713 PolarHBondContact O-N 2.97Å; L710-N714 PolarHBondContact O-N 3.07Å; L710-N714 PolarHBondContact O-ND2 3.44Å; L710-P774 HydrophobicContact CD2-CB 4.09Å; L710-P774 HydrophobicContact CD2-CG 4.28Å |
| 711 | D | 97.8 | Very high | 97.6 | Very high | 61 Ų | 61 | 34.5 Ų | 34.5 | 33% | 0.326 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 175 | -69.2 | -26.9 | 0 | 0 | 0 | 111.2 | W660 I664 I708 N714 V715 | W660-D711 HydrophobicContact CZ2-CB 3.98Å; I664-D711 HydrophobicContact CD1-CB 4.11Å; I664-D711 HydrophobicContact CG1-CB 4.23Å; I664-D711 HydrophobicContact CG2-CB 4.45Å; I708-D711 PolarHBondContact O-N 3.11Å; D711-N714 PolarHBondContact O-N 2.92Å; D711-V715 WeakPolarHBondContact O-CG2 3.14Å; D711-V715 PolarHBondContact O-N 2.97Å |
| 712 | M | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 177.7 | -179 | -178.2 | 65.7 | 0 | 0 | 111.5 | W660 L687 L705 I708 Y709 L710 V715 Y716 T750 L753 I754 | W660-M712 HydrophobicContact CH2-CB 3.87Å; W660-M712 HydrophobicContact CH2-CG 4.22Å; W660-M712 HydrophobicContact CZ2-CB 3.94Å; L687-M712 HydrophobicContact CD2-CG 4.11Å; L687-M712 HydrophobicContact CD2-SD 3.68Å; L705-M712 HydrophobicContact CD1-CE 4.1Å; I708-M712 WeakPolarHBondContact O-CB 3.38Å; I708-M712 PolarHBondContact O-N 3Å; Y709-M712 HydrophobicContact CD2-CE 3.94Å; Y709-M712 HydrophobicContact CE2-CE 4.26Å; Y709-M712 WeakPolarHBondContact O-CB 3.4Å; Y709-M712 PolarHBondContact O-N 3.37Å; L710-M712 VanDerWaalsContact C-N 3.29Å; L710-M712 PolarHBondContact O-N 3.34Å; M712-V715 PolarHBondContact O-N 2.97Å; M712-Y716 WeakPolarHBondContact O-CB 3.41Å; M712-Y716 PolarHBondContact O-N 3.42Å; M712-T750 HydrophobicContact CE-CG2 3.99Å; M712-T750 HydrophobicContact CG-CG2 3.67Å; M712-T750 HydrophobicContact SD-CG2 3.8Å; M712-L753 HydrophobicContact CE-CD2 4.4Å; M712-L753 HydrophobicContact SD-CD2 3.79Å; M712-I754 HydrophobicContact CE-CD1 3.97Å; M712-I754 HydrophobicContact CE-CG1 3.81Å |
| 713 | L | 97.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.1 | -37.5 | 174.5 | -69.9 | -178.8 | 0 | 0 | 0 | 112.4 | Y709 L710 Y716 K717 I754 P774 L775 A778 V779 | Y709-L713 HydrophobicContact CD1-CD1 4.11Å; Y709-L713 HydrophobicContact CE1-CD1 3.65Å; Y709-L713 WeakPolarHBondContact O-CG 3.26Å; Y709-L713 PolarHBondContact O-N 2.97Å; L710-L713 PolarHBondContact O-N 2.97Å; L713-Y716 WeakPolarHBondContact O-CB 3.31Å; L713-Y716 PolarHBondContact O-N 3.22Å; L713-K717 WeakPolarHBondContact O-CB 3.48Å; L713-K717 PolarHBondContact O-N 3.14Å; L713-I754 HydrophobicContact CD2-CD1 4.04Å; L713-P774 HydrophobicContact CD1-CB 3.66Å; L713-L775 HydrophobicContact CD2-CD1 4.28Å; L713-A778 HydrophobicContact CB-CB 3.81Å; L713-A778 HydrophobicContact CD1-CB 4.19Å; L713-A778 HydrophobicContact CD2-CB 4.24Å; L713-A778 HydrophobicContact CG-CB 4.3Å; L713-V779 HydrophobicContact CD2-CG2 3.96Å |
| 714 | N | 96.8 | Very high | 97.4 | Very high | 97 Ų | 97 | 33 Ų | 33 | 52% | 0.519 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.7 | -46.7 | 174.8 | -74.8 | -31.5 | 0 | 0 | 0 | 111.9 | L710 D711 Y716 K717 C718 | L710-N714 PolarHBondContact O-N 3.07Å; L710-N714 PolarHBondContact O-ND2 3.44Å; D711-N714 PolarHBondContact O-N 2.92Å; N714-Y716 VanDerWaalsContact C-N 3.35Å; N714-Y716 PolarHBondContact O-N 3.01Å; N714-K717 PolarHBondContact O-N 3.4Å; N714-C718 PolarHBondContact O-N 3.4Å; N714-C718 PolarHBondContact O-SG 3.19Å; N714-C718 VanDerWaalsContact O-SG 3.37Å |
| 715 | V | 97.5 | Very high | 97.3 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 175.1 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | I664 L674 L683 D711 M712 K717 C718 L719 V746 | I664-V715 HydrophobicContact CD1-CG2 3.53Å; L674-V715 HydrophobicContact CD2-CG1 4.43Å; L683-V715 HydrophobicContact CD1-CG1 3.96Å; D711-V715 WeakPolarHBondContact O-CG2 3.14Å; D711-V715 PolarHBondContact O-N 2.97Å; M712-V715 PolarHBondContact O-N 2.97Å; V715-K717 VanDerWaalsContact C-N 3.3Å; V715-K717 PolarHBondContact O-N 3.16Å; V715-C718 PolarHBondContact O-N 2.9Å; V715-L719 HydrophobicContact CG1-CD1 3.99Å; V715-L719 HydrophobicContact CG1-CG 4.23Å; V715-L719 VanDerWaalsContact O-CG 3.32Å; V715-L719 WeakPolarHBondContact O-CG 3.48Å; V715-L719 PolarHBondContact O-N 2.87Å; V715-V746 HydrophobicContact CG1-CG1 4.37Å |
| 716 | Y | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -52.9 | -48.8 | 175.9 | 176.4 | -81.9 | 0 | 0 | 0 | 111.7 | M712 L713 N714 L719 S720 K747 T750 L751 V779 V795 | M712-Y716 WeakPolarHBondContact O-CB 3.41Å; M712-Y716 PolarHBondContact O-N 3.42Å; L713-Y716 WeakPolarHBondContact O-CB 3.31Å; L713-Y716 PolarHBondContact O-N 3.22Å; N714-Y716 VanDerWaalsContact C-N 3.35Å; N714-Y716 PolarHBondContact O-N 3.01Å; Y716-L719 PolarHBondContact O-N 3.12Å; Y716-S720 WeakPolarHBondContact O-CB 3.46Å; Y716-S720 PolarHBondContact O-N 3.22Å; Y716-K747 HydrophobicContact CD2-CB 3.96Å; Y716-K747 HydrophobicContact CD2-CG 3.83Å; Y716-K747 HydrophobicContact CE2-CB 3.64Å; Y716-K747 HydrophobicContact CE2-CD 4.49Å; Y716-K747 HydrophobicContact CE2-CG 3.78Å; Y716-K747 HydrophobicContact CG-CG 4.47Å; Y716-K747 PolarHBondContact OH-NZ 3.5Å; Y716-T750 HydrophobicContact CD2-CG2 3.84Å; Y716-T750 HydrophobicContact CG-CG2 4.4Å; Y716-L751 HydrophobicContact CE2-CD1 4.11Å; Y716-L751 HydrophobicContact CE2-CD2 4.17Å; Y716-L751 HydrophobicContact CE2-CG 3.91Å; Y716-V779 HydrophobicContact CD1-CG2 3.86Å; Y716-V779 HydrophobicContact CE1-CB 4.13Å; Y716-V779 HydrophobicContact CE1-CG1 3.95Å; Y716-V779 HydrophobicContact CE1-CG2 3.7Å; Y716-V779 HydrophobicContact CG-CG2 4.45Å; Y716-V795 VanDerWaalsContact OH-CG2 3.3Å; Y716-V795 WeakPolarHBondContact OH-CG2 3.38Å |
| 717 | K | 96.9 | Very high | 97 | Very high | 67 Ų | 67 | 35.3 Ų | 35.3 | 29% | 0.291 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.4 | -48.2 | -179 | -174.1 | 176.9 | 178.3 | 178.8 | 0 | 111.9 | L713 N714 V715 L719 S720 E721 | L713-K717 WeakPolarHBondContact O-CB 3.48Å; L713-K717 PolarHBondContact O-N 3.14Å; N714-K717 PolarHBondContact O-N 3.4Å; V715-K717 VanDerWaalsContact C-N 3.3Å; V715-K717 PolarHBondContact O-N 3.16Å; K717-L719 VanDerWaalsContact C-N 3.32Å; K717-L719 PolarHBondContact O-N 3.29Å; K717-S720 WeakPolarHBondContact O-CA 3.31Å; K717-S720 WeakPolarHBondContact O-CB 3.11Å; K717-S720 PolarHBondContact O-N 3.07Å; K717-S720 VanDerWaalsContact O-N 3.09Å; K717-E721 VanDerWaalsContact CE-OE1 3.3Å; K717-E721 WeakPolarHBondContact CE-OE1 3.39Å; K717-E721 WeakPolarHBondContact O-CG 3.48Å; K717-E721 PolarHBondContact O-N 3.48Å |
| 718 | C | 96.6 | Very high | 96.9 | Very high | 41 Ų | 41 | 36.3 Ų | 36.3 | 28% | 0.277 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.9 | -44.5 | 176.6 | -71.2 | 0 | 0 | 0 | 0 | 112.4 | L674 N714 V715 S720 N722 | L674-C718 HydrophobicContact CD1-CB 3.74Å; N714-C718 PolarHBondContact O-N 3.4Å; N714-C718 PolarHBondContact O-SG 3.19Å; N714-C718 VanDerWaalsContact O-SG 3.37Å; V715-C718 PolarHBondContact O-N 2.9Å; C718-S720 VanDerWaalsContact C-N 3.34Å; C718-N722 WeakPolarHBondContact O-CB 3.37Å; C718-N722 VanDerWaalsContact O-CG 3.25Å; C718-N722 PolarHBondContact O-N 3.4Å; C718-N722 PolarHBondContact O-ND2 3.11Å |
| 719 | L | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.8 | -36 | 177.4 | -66 | -174.2 | 0 | 0 | 0 | 112 | L674 V680 V715 Y716 K717 N722 I723 M743 V746 | L674-L719 HydrophobicContact CB-CD2 3.93Å; L674-L719 VanDerWaalsContact O-CD2 3.25Å; L674-L719 WeakPolarHBondContact O-CD2 3.28Å; V680-L719 HydrophobicContact CG2-CD2 4.37Å; V715-L719 HydrophobicContact CG1-CD1 3.99Å; V715-L719 HydrophobicContact CG1-CG 4.23Å; V715-L719 VanDerWaalsContact O-CG 3.32Å; V715-L719 WeakPolarHBondContact O-CG 3.48Å; V715-L719 PolarHBondContact O-N 2.87Å; Y716-L719 PolarHBondContact O-N 3.12Å; K717-L719 VanDerWaalsContact C-N 3.32Å; K717-L719 PolarHBondContact O-N 3.29Å; L719-N722 PolarHBondContact O-N 3.3Å; L719-I723 WeakPolarHBondContact O-CD1 3.47Å; L719-I723 WeakPolarHBondContact O-CG1 3.31Å; L719-I723 PolarHBondContact O-N 2.88Å; L719-M743 HydrophobicContact CD2-CE 4.31Å; L719-M743 HydrophobicContact CD2-CG 4.02Å; L719-M743 HydrophobicContact CD2-SD 4.41Å; L719-V746 HydrophobicContact CD1-CB 3.63Å; L719-V746 HydrophobicContact CD1-CG1 3.47Å; L719-V746 VanDerWaalsContact CD1-CG1 3.47Å; L719-V746 HydrophobicContact CD1-CG2 4.1Å |
| 720 | S | 97.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.5 | -51 | 174.4 | -156.9 | 0 | 0 | 0 | 0 | 112.7 | Y716 K717 C718 N722 I723 S724 K747 D782 N786 | Y716-S720 WeakPolarHBondContact O-CB 3.46Å; Y716-S720 PolarHBondContact O-N 3.22Å; K717-S720 WeakPolarHBondContact O-CA 3.31Å; K717-S720 WeakPolarHBondContact O-CB 3.11Å; K717-S720 PolarHBondContact O-N 3.07Å; K717-S720 VanDerWaalsContact O-N 3.09Å; C718-S720 VanDerWaalsContact C-N 3.34Å; S720-N722 VanDerWaalsContact C-N 3.31Å; S720-N722 PolarHBondContact O-N 2.92Å; S720-I723 PolarHBondContact O-N 3.2Å; S720-S724 WeakPolarHBondContact O-CB 3.14Å; S720-S724 PolarHBondContact O-N 3.48Å; S720-K747 PolarHBondContact OG-NZ 2.59Å; S720-D782 WeakPolarHBondContact CB-OD1 3.27Å; S720-D782 WeakPolarHBondContact CB-OD2 3.31Å; S720-D782 PolarHBondContact OG-OD1 2.96Å; S720-D782 PolarHBondContact OG-OD2 3.32Å; S720-N786 PolarHBondContact OG-ND2 2.96Å |
| 721 | E | 96.1 | Very high | 96.3 | Very high | 94 Ų | 94 | 42.4 Ų | 42.4 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.2 | -40.3 | 179 | -69.2 | 174.1 | 179.2 | 0 | 0 | 110.9 | K717 S724 S725 | K717-E721 VanDerWaalsContact CE-OE1 3.3Å; K717-E721 WeakPolarHBondContact CE-OE1 3.39Å; K717-E721 WeakPolarHBondContact O-CG 3.48Å; K717-E721 PolarHBondContact O-N 3.48Å; E721-S724 PolarHBondContact O-N 3.09Å; E721-S725 WeakPolarHBondContact O-CB 3.33Å; E721-S725 PolarHBondContact O-N 3.41Å |
| 722 | N | 95.9 | Very high | 95.9 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 173.9 | -75.9 | -23.1 | 0 | 0 | 0 | 112.2 | K675 C718 L719 S720 A726 M743 | K675-N722 WeakPolarHBondContact CE-OD1 3.3Å; C718-N722 WeakPolarHBondContact O-CB 3.37Å; C718-N722 VanDerWaalsContact O-CG 3.25Å; C718-N722 PolarHBondContact O-N 3.4Å; C718-N722 PolarHBondContact O-ND2 3.11Å; L719-N722 PolarHBondContact O-N 3.3Å; S720-N722 VanDerWaalsContact C-N 3.31Å; S720-N722 PolarHBondContact O-N 2.92Å; N722-A726 VanDerWaalsContact O-CB 3.3Å; N722-A726 WeakPolarHBondContact O-CB 3.47Å; N722-A726 PolarHBondContact O-N 3.37Å; N722-M743 HydrophobicContact CB-CE 4.36Å; N722-M743 HydrophobicContact CB-SD 4.22Å |
| 723 | I | 96.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 177.1 | -66.5 | 161.7 | 0 | 0 | 0 | 110.1 | L719 S720 S725 A726 V727 I740 M743 R744 K747 A790 | L719-I723 WeakPolarHBondContact O-CD1 3.47Å; L719-I723 WeakPolarHBondContact O-CG1 3.31Å; L719-I723 PolarHBondContact O-N 2.88Å; S720-I723 PolarHBondContact O-N 3.2Å; I723-S725 PolarHBondContact O-N 3.49Å; I723-A726 PolarHBondContact O-N 2.86Å; I723-V727 HydrophobicContact CG2-CG2 4.4Å; I723-V727 VanDerWaalsContact O-CG2 3.31Å; I723-V727 WeakPolarHBondContact O-CG2 3.18Å; I723-V727 PolarHBondContact O-N 3.09Å; I723-I740 HydrophobicContact CG1-CD1 4.48Å; I723-I740 HydrophobicContact CG1-CG2 4.29Å; I723-I740 HydrophobicContact CG2-CG2 4.12Å; I723-M743 HydrophobicContact CD1-CB 3.76Å; I723-M743 HydrophobicContact CG1-CB 3.89Å; I723-M743 HydrophobicContact CG1-SD 4.11Å; I723-R744 HydrophobicContact CD1-CG 3.88Å; I723-K747 HydrophobicContact CD1-CD 3.62Å; I723-A790 HydrophobicContact CG2-CB 4.13Å |
| 724 | S | 96.4 | Very high | 95.3 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | -178.4 | -164.8 | 0 | 0 | 0 | 0 | 111.9 | S720 E721 A726 V727 Q728 N786 V787 | S720-S724 WeakPolarHBondContact O-CB 3.14Å; S720-S724 PolarHBondContact O-N 3.48Å; E721-S724 PolarHBondContact O-N 3.09Å; S724-A726 PolarHBondContact O-N 3.33Å; S724-V727 PolarHBondContact O-N 2.81Å; S724-Q728 WeakPolarHBondContact O-CG 3.26Å; S724-Q728 PolarHBondContact O-N 2.95Å; S724-N786 WeakPolarHBondContact CB-OD1 3.33Å; S724-N786 PolarHBondContact OG-OD1 3.01Å; S724-N786 VanDerWaalsContact OG-OD1 3.06Å; S724-V787 PolarHBondContact OG-N 3.22Å |
| 725 | S | 96.1 | Very high | 94.9 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 43% | 0.434 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 175.9 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | E721 I723 V727 Q728 T729 | E721-S725 WeakPolarHBondContact O-CB 3.33Å; E721-S725 PolarHBondContact O-N 3.41Å; I723-S725 PolarHBondContact O-N 3.49Å; S725-V727 PolarHBondContact O-N 3.08Å; S725-Q728 PolarHBondContact O-N 2.98Å; S725-T729 WeakPolarHBondContact O-CB 3.23Å; S725-T729 PolarHBondContact O-N 3.02Å; S725-T729 PolarHBondContact O-OG1 3.33Å |
| 726 | A | 95.2 | Very high | 94.5 | Very high | 20 Ų | 20 | 56.5 Ų | 56.5 | 17% | 0.165 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N722 I723 S724 T729 N730 V734 I740 | N722-A726 VanDerWaalsContact O-CB 3.3Å; N722-A726 WeakPolarHBondContact O-CB 3.47Å; N722-A726 PolarHBondContact O-N 3.37Å; I723-A726 PolarHBondContact O-N 2.86Å; S724-A726 PolarHBondContact O-N 3.33Å; A726-T729 PolarHBondContact O-N 3.1Å; A726-N730 WeakPolarHBondContact O-CB 3.47Å; A726-N730 PolarHBondContact O-N 2.82Å; A726-N730 PolarHBondContact O-ND2 3.5Å; A726-N730 VanDerWaalsContact O-ND2 3.11Å; A726-V734 HydrophobicContact CB-CG1 4.28Å; A726-V734 HydrophobicContact CB-CG2 4.32Å; A726-I740 HydrophobicContact CB-CD1 3.86Å |
| 727 | V | 95.6 | Very high | 94.2 | Very high | 11 Ų | 11 | 61.5 Ų | 61.5 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 177 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | I723 S724 S725 T729 G731 V734 T735 V787 A789 | I723-V727 HydrophobicContact CG2-CG2 4.4Å; I723-V727 VanDerWaalsContact O-CG2 3.31Å; I723-V727 WeakPolarHBondContact O-CG2 3.18Å; I723-V727 PolarHBondContact O-N 3.09Å; S724-V727 PolarHBondContact O-N 2.81Å; S725-V727 PolarHBondContact O-N 3.08Å; V727-T729 VanDerWaalsContact C-N 3.28Å; V727-T729 PolarHBondContact O-N 3.37Å; V727-G731 CarbonylContact O-C 3.59Å; V727-G731 WeakPolarHBondContact O-CA 3.39Å; V727-G731 PolarHBondContact O-N 3.3Å; V727-V734 HydrophobicContact CB-CG1 4.36Å; V727-V734 HydrophobicContact CG2-CG1 3.72Å; V727-T735 HydrophobicContact CG2-CG2 3.84Å; V727-V787 HydrophobicContact CB-CG2 4.03Å; V727-V787 HydrophobicContact CG1-CG2 3.72Å; V727-A789 HydrophobicContact CG1-CB 4.12Å |
| 728 | Q | 95.3 | Very high | 93.9 | Very high | 130 Ų | 130 | 63.5 Ų | 63.5 | 61% | 0.607 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.4 | -39 | 174.7 | -76.3 | 175.7 | -8.2 | 0 | 0 | 112.3 | S724 S725 V787 | S724-Q728 WeakPolarHBondContact O-CG 3.26Å; S724-Q728 PolarHBondContact O-N 2.95Å; S725-Q728 PolarHBondContact O-N 2.98Å; Q728-V787 HydrophobicContact CG-CG1 3.43Å; Q728-V787 VanDerWaalsContact CG-CG1 3.43Å; Q728-V787 HydrophobicContact CG-CG2 4.5Å; Q728-V787 VanDerWaalsContact NE2-CG1 3.26Å |
| 729 | T | 95 | Very high | 93.8 | Very high | 104 Ų | 104 | 64.1 Ų | 64.1 | 64% | 0.638 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -78.1 | -39.2 | -176 | -54.7 | 0 | 0 | 0 | 0 | 112.6 | S725 A726 V727 | S725-T729 WeakPolarHBondContact O-CB 3.23Å; S725-T729 PolarHBondContact O-N 3.02Å; S725-T729 PolarHBondContact O-OG1 3.33Å; A726-T729 PolarHBondContact O-N 3.1Å; V727-T729 VanDerWaalsContact C-N 3.28Å; V727-T729 PolarHBondContact O-N 3.37Å |
| 730 | N | 93.6 | Very high | 93.6 | Very high | 107 Ų | 107 | 64.5 Ų | 64.5 | 57% | 0.572 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -119.2 | 2.4 | -168 | -56.9 | -76.8 | 0 | 0 | 0 | 114 | A726 V734 | A726-N730 WeakPolarHBondContact O-CB 3.47Å; A726-N730 PolarHBondContact O-N 2.82Å; A726-N730 PolarHBondContact O-ND2 3.5Å; A726-N730 VanDerWaalsContact O-ND2 3.11Å; N730-V734 HydrophobicContact CB-CB 4.03Å; N730-V734 HydrophobicContact CB-CG2 4.23Å |
| 731 | G | 93 | Very high | 93.4 | Very high | 34 Ų | 34 | 68.1 Ų | 68.1 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | trans | 71.5 | -173.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V727 M733 V734 | V727-G731 CarbonylContact O-C 3.59Å; V727-G731 WeakPolarHBondContact O-CA 3.39Å; V727-G731 PolarHBondContact O-N 3.3Å; G731-M733 VanDerWaalsContact C-N 3.27Å; G731-M733 PolarHBondContact O-N 2.9Å; G731-V734 VanDerWaalsContact O-CG1 3.31Å; G731-V734 WeakPolarHBondContact O-CG1 3.39Å; G731-V734 PolarHBondContact O-N 3.16Å | ||
| 732 | E | 89.6 | Confident | 93.3 | Very high | 128 Ų | 128 | 64.8 Ų | 64.8 | 60% | 0.598 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -66.9 | -24.5 | -173.2 | -172.2 | 172.2 | -174.2 | 0 | 0 | 114 | V734 T735 A789 | E732-V734 PolarHBondContact O-N 3.27Å; E732-T735 WeakPolarHBondContact O-CB 3.24Å; E732-T735 VanDerWaalsContact O-CG2 3.31Å; E732-T735 WeakPolarHBondContact O-CG2 3.42Å; E732-T735 PolarHBondContact O-N 3.4Å; E732-T735 PolarHBondContact O-OG1 2.93Å; E732-A789 HydrophobicContact CG-CB 4.25Å |
| 733 | M | 89.8 | Confident | 93.4 | Very high | 160 Ų | 160 | 63.1 Ų | 63.1 | 79% | 0.788 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -58.2 | -27.5 | -178.8 | -169.2 | 176 | 179.5 | 0 | 0 | 112.9 | G731 T735 K736 | G731-M733 VanDerWaalsContact C-N 3.27Å; G731-M733 PolarHBondContact O-N 2.9Å; M733-T735 PolarHBondContact O-N 3.46Å; M733-K736 PolarHBondContact O-N 3.4Å |
| 734 | V | 93.8 | Very high | 93.3 | Very high | 6 Ų | 6 | 64.7 Ų | 64.7 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -62.1 | -25.2 | 178 | 81.9 | 0 | 0 | 0 | 0 | 112.9 | A726 V727 N730 G731 E732 K736 Q737 I740 | A726-V734 HydrophobicContact CB-CG1 4.28Å; A726-V734 HydrophobicContact CB-CG2 4.32Å; V727-V734 HydrophobicContact CB-CG1 4.36Å; V727-V734 HydrophobicContact CG2-CG1 3.72Å; N730-V734 HydrophobicContact CB-CB 4.03Å; N730-V734 HydrophobicContact CB-CG2 4.23Å; G731-V734 VanDerWaalsContact O-CG1 3.31Å; G731-V734 WeakPolarHBondContact O-CG1 3.39Å; G731-V734 PolarHBondContact O-N 3.16Å; E732-V734 PolarHBondContact O-N 3.27Å; V734-K736 PolarHBondContact O-N 3.36Å; V734-K736 VanDerWaalsContact O-N 3.12Å; V734-Q737 HydrophobicContact CG2-CG 4.5Å; V734-Q737 WeakPolarHBondContact O-CB 3.33Å; V734-Q737 PolarHBondContact O-N 2.98Å; V734-I740 HydrophobicContact CG2-CG1 4.16Å |
| 735 | T | 88.6 | Confident | 93.2 | Very high | 25 Ų | 25 | 64.7 Ų | 64.7 | 15% | 0.153 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -63.4 | -18.9 | 179.3 | 63.1 | 0 | 0 | 0 | 0 | 113.3 | V727 E732 M733 R741 | V727-T735 HydrophobicContact CG2-CG2 3.84Å; E732-T735 WeakPolarHBondContact O-CB 3.24Å; E732-T735 VanDerWaalsContact O-CG2 3.31Å; E732-T735 WeakPolarHBondContact O-CG2 3.42Å; E732-T735 PolarHBondContact O-N 3.4Å; E732-T735 PolarHBondContact O-OG1 2.93Å; M733-T735 PolarHBondContact O-N 3.46Å; T735-R741 WeakPolarHBondContact O-CG 3.22Å |
| 736 | K | 87.8 | Confident | 93.3 | Very high | 146 Ų | 146 | 61.8 Ų | 61.8 | 64% | 0.635 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -84.7 | -9.4 | 177 | -60.9 | -176.9 | 179.5 | -178.8 | 0 | 113.3 | M733 V734 R741 | M733-K736 PolarHBondContact O-N 3.4Å; V734-K736 PolarHBondContact O-N 3.36Å; V734-K736 VanDerWaalsContact O-N 3.12Å; K736-R741 PolarHBondContact O-NE 3.38Å |
| 737 | Q | 91.5 | Very high | 93.4 | Very high | 107 Ų | 107 | 60.9 Ų | 60.9 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -74.1 | 144.1 | -179.7 | -65.5 | -175.7 | 2.7 | 0 | 0 | 111.5 | V734 L739 I740 R741 | V734-Q737 HydrophobicContact CG2-CG 4.5Å; V734-Q737 WeakPolarHBondContact O-CB 3.33Å; V734-Q737 PolarHBondContact O-N 2.98Å; Q737-L739 VanDerWaalsContact C-N 3.31Å; Q737-L739 PolarHBondContact O-N 2.88Å; Q737-I740 PolarHBondContact O-N 3.37Å; Q737-I740 VanDerWaalsContact O-N 3.16Å; Q737-R741 WeakPolarHBondContact O-CG 3.46Å; Q737-R741 PolarHBondContact O-N 3.07Å |
| 738 | P | 91.4 | Very high | 93.4 | Very high | 108 Ų | 108 | 61.4 Ų | 61.4 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -54.6 | -39.7 | -176 | -28.8 | 35.4 | 0 | 0 | 0 | 114.9 | R741 S742 | P738-R741 PolarHBondContact O-N 2.77Å; P738-S742 PolarHBondContact O-N 3.02Å; P738-S742 PolarHBondContact O-OG 3.06Å |
| 739 | L | 94.1 | Very high | 93.5 | Very high | 54 Ų | 54 | 56.1 Ų | 56.1 | 28% | 0.283 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 179.7 | -179.3 | 63.4 | 0 | 0 | 0 | 112 | K675 A677 V680 Q737 R741 S742 M743 | K675-L739 WeakPolarHBondContact O-CD2 3.46Å; A677-L739 HydrophobicContact CB-CD1 4.16Å; V680-L739 HydrophobicContact CG2-CD1 4.37Å; Q737-L739 VanDerWaalsContact C-N 3.31Å; Q737-L739 PolarHBondContact O-N 2.88Å; L739-R741 VanDerWaalsContact C-N 3.31Å; L739-R741 PolarHBondContact O-N 3.18Å; L739-S742 PolarHBondContact O-N 2.84Å; L739-S742 PolarHBondContact O-OG 3.26Å; L739-M743 HydrophobicContact CD1-CE 3.98Å; L739-M743 HydrophobicContact CD2-CE 4.09Å; L739-M743 HydrophobicContact CG-CE 3.85Å; L739-M743 HydrophobicContact CG-SD 4.46Å; L739-M743 VanDerWaalsContact O-CG 3.25Å; L739-M743 WeakPolarHBondContact O-CG 3.38Å; L739-M743 PolarHBondContact O-N 3.41Å |
| 740 | I | 94.5 | Very high | 93.7 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 5% | 0.046 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.6 | -36.8 | 178.5 | -60.5 | -56.7 | 0 | 0 | 0 | 110.6 | I723 A726 V734 Q737 M743 R744 | I723-I740 HydrophobicContact CG1-CD1 4.48Å; I723-I740 HydrophobicContact CG1-CG2 4.29Å; I723-I740 HydrophobicContact CG2-CG2 4.12Å; A726-I740 HydrophobicContact CB-CD1 3.86Å; V734-I740 HydrophobicContact CG2-CG1 4.16Å; Q737-I740 PolarHBondContact O-N 3.37Å; Q737-I740 VanDerWaalsContact O-N 3.16Å; I740-M743 HydrophobicContact CD1-SD 4.07Å; I740-M743 PolarHBondContact O-N 2.88Å; I740-R744 WeakPolarHBondContact O-CG 3.39Å; I740-R744 PolarHBondContact O-N 2.79Å |
| 741 | R | 92.6 | Very high | 93.9 | Very high | 76 Ų | 76 | 46.1 Ų | 46.1 | 29% | 0.287 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 173.2 | -70.6 | -177.7 | 177.9 | 179.1 | -1.2 | 111.7 | Q432 T735 K736 Q737 P738 L739 M743 R744 T745 | Q432-R741 WeakPolarHBondContact O-CD 3.21Å; T735-R741 WeakPolarHBondContact O-CG 3.22Å; K736-R741 PolarHBondContact O-NE 3.38Å; Q737-R741 WeakPolarHBondContact O-CG 3.46Å; Q737-R741 PolarHBondContact O-N 3.07Å; P738-R741 PolarHBondContact O-N 2.77Å; L739-R741 VanDerWaalsContact C-N 3.31Å; L739-R741 PolarHBondContact O-N 3.18Å; R741-M743 PolarHBondContact O-N 2.93Å; R741-R744 WeakPolarHBondContact O-CB 3.39Å; R741-R744 PolarHBondContact O-N 3.47Å; R741-T745 PolarHBondContact O-N 3.31Å; R741-T745 PolarHBondContact O-OG1 2.75Å; R741-T745 VanDerWaalsContact O-OG1 3.09Å |
| 742 | S | 93.6 | Very high | 94.1 | Very high | 24 Ų | 24 | 48.1 Ų | 48.1 | 17% | 0.168 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.2 | -36.5 | 178.2 | 64.9 | 0 | 0 | 0 | 0 | 112.5 | V680 P738 L739 R744 T745 V746 | V680-S742 VanDerWaalsContact CG1-C 3.43Å; V680-S742 WeakPolarHBondContact CG1-OG 3.46Å; P738-S742 PolarHBondContact O-N 3.02Å; P738-S742 PolarHBondContact O-OG 3.06Å; L739-S742 PolarHBondContact O-N 2.84Å; L739-S742 PolarHBondContact O-OG 3.26Å; S742-R744 VanDerWaalsContact C-N 3.34Å; S742-R744 PolarHBondContact O-N 3.38Å; S742-T745 VanDerWaalsContact O-CB 3.3Å; S742-T745 WeakPolarHBondContact O-CB 3.21Å; S742-T745 PolarHBondContact O-N 2.97Å; S742-V746 PolarHBondContact O-N 2.69Å; S742-V746 VanDerWaalsContact O-N 3.07Å |
| 743 | M | 97 | Very high | 94.6 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -41.1 | 172.4 | -68.5 | 177.9 | 172.4 | 0 | 0 | 111.7 | L674 K675 V680 L719 N722 I723 L739 I740 R741 V746 K747 | L674-M743 WeakPolarHBondContact O-CE 3.28Å; K675-M743 HydrophobicContact CB-CE 4.46Å; K675-M743 HydrophobicContact CG-CE 4.4Å; V680-M743 HydrophobicContact CG1-CB 4.43Å; V680-M743 HydrophobicContact CG1-CG 3.95Å; V680-M743 HydrophobicContact CG2-CG 4.25Å; L719-M743 HydrophobicContact CD2-CE 4.31Å; L719-M743 HydrophobicContact CD2-CG 4.02Å; L719-M743 HydrophobicContact CD2-SD 4.41Å; N722-M743 HydrophobicContact CB-CE 4.36Å; N722-M743 HydrophobicContact CB-SD 4.22Å; I723-M743 HydrophobicContact CD1-CB 3.76Å; I723-M743 HydrophobicContact CG1-CB 3.89Å; I723-M743 HydrophobicContact CG1-SD 4.11Å; L739-M743 HydrophobicContact CD1-CE 3.98Å; L739-M743 HydrophobicContact CD2-CE 4.09Å; L739-M743 HydrophobicContact CG-CE 3.85Å; L739-M743 HydrophobicContact CG-SD 4.46Å; L739-M743 VanDerWaalsContact O-CG 3.25Å; L739-M743 WeakPolarHBondContact O-CG 3.38Å; L739-M743 PolarHBondContact O-N 3.41Å; I740-M743 HydrophobicContact CD1-SD 4.07Å; I740-M743 PolarHBondContact O-N 2.88Å; R741-M743 PolarHBondContact O-N 2.93Å; M743-V746 PolarHBondContact O-N 2.9Å; M743-K747 PolarHBondContact O-N 3.48Å; M743-K747 VanDerWaalsContact O-N 3.14Å |
| 744 | R | 94.9 | Very high | 95 | Very high | 36 Ų | 36 | 34.5 Ų | 34.5 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.5 | -39.4 | 172.7 | -74.5 | -179.3 | -179.5 | -110.6 | 6.8 | 111.8 | I723 I740 R741 S742 V746 K747 R748 A789 E792 | I723-R744 HydrophobicContact CD1-CG 3.88Å; I740-R744 WeakPolarHBondContact O-CG 3.39Å; I740-R744 PolarHBondContact O-N 2.79Å; R741-R744 WeakPolarHBondContact O-CB 3.39Å; R741-R744 PolarHBondContact O-N 3.47Å; S742-R744 VanDerWaalsContact C-N 3.34Å; S742-R744 PolarHBondContact O-N 3.38Å; R744-V746 VanDerWaalsContact C-N 3.32Å; R744-V746 PolarHBondContact O-N 3.1Å; R744-K747 PolarHBondContact O-N 3.25Å; R744-K747 VanDerWaalsContact O-N 3.16Å; R744-R748 WeakPolarHBondContact O-CG 3.28Å; R744-R748 PolarHBondContact O-N 3.18Å; R744-A789 PolarHBondContact NH2-O 3.4Å; R744-E792 IonicContact NH1-OE2 2.84Å |
| 745 | T | 95.2 | Very high | 95.1 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.043 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.2 | -47.5 | 172.9 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | Q432 R741 S742 K747 R748 E749 | Q432-T745 WeakPolarHBondContact CG-OG1 3.22Å; R741-T745 PolarHBondContact O-N 3.31Å; R741-T745 PolarHBondContact O-OG1 2.75Å; R741-T745 VanDerWaalsContact O-OG1 3.09Å; S742-T745 VanDerWaalsContact O-CB 3.3Å; S742-T745 WeakPolarHBondContact O-CB 3.21Å; S742-T745 PolarHBondContact O-N 2.97Å; T745-K747 VanDerWaalsContact C-N 3.33Å; T745-K747 PolarHBondContact O-N 3.34Å; T745-R748 PolarHBondContact O-N 2.89Å; T745-E749 HydrophobicContact CG2-CG 4.13Å; T745-E749 WeakPolarHBondContact O-CB 3.17Å; T745-E749 VanDerWaalsContact O-CG 3.29Å; T745-E749 WeakPolarHBondContact O-CG 3.42Å; T745-E749 PolarHBondContact O-N 3.48Å |
| 746 | V | 97.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.9 | -43.6 | 177.9 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | V680 L683 L687 V715 L719 S742 M743 R744 T750 | V680-V746 HydrophobicContact CG1-CG2 3.86Å; V680-V746 WeakPolarHBondContact O-CG2 3.42Å; L683-V746 HydrophobicContact CB-CG1 4.35Å; L683-V746 HydrophobicContact CB-CG2 3.91Å; L687-V746 HydrophobicContact CD1-CB 4.46Å; L687-V746 HydrophobicContact CD1-CG1 3.65Å; L687-V746 WeakPolarHBondContact CD1-O 3.4Å; V715-V746 HydrophobicContact CG1-CG1 4.37Å; L719-V746 HydrophobicContact CD1-CB 3.63Å; L719-V746 HydrophobicContact CD1-CG1 3.47Å; L719-V746 VanDerWaalsContact CD1-CG1 3.47Å; L719-V746 HydrophobicContact CD1-CG2 4.1Å; S742-V746 PolarHBondContact O-N 2.69Å; S742-V746 VanDerWaalsContact O-N 3.07Å; M743-V746 PolarHBondContact O-N 2.9Å; R744-V746 VanDerWaalsContact C-N 3.32Å; R744-V746 PolarHBondContact O-N 3.1Å; V746-T750 WeakPolarHBondContact O-CB 3.47Å; V746-T750 PolarHBondContact O-N 3.07Å; V746-T750 PolarHBondContact O-OG1 3.09Å |
| 747 | K | 97.3 | Very high | 96 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.4 | -47.6 | 176 | -72.6 | 177.7 | 62.6 | 77.4 | 0 | 112.3 | Y716 S720 I723 M743 R744 T745 T750 L751 D782 | Y716-K747 HydrophobicContact CD2-CB 3.96Å; Y716-K747 HydrophobicContact CD2-CG 3.83Å; Y716-K747 HydrophobicContact CE2-CB 3.64Å; Y716-K747 HydrophobicContact CE2-CD 4.49Å; Y716-K747 HydrophobicContact CE2-CG 3.78Å; Y716-K747 HydrophobicContact CG-CG 4.47Å; Y716-K747 PolarHBondContact OH-NZ 3.5Å; S720-K747 PolarHBondContact OG-NZ 2.59Å; I723-K747 HydrophobicContact CD1-CD 3.62Å; M743-K747 PolarHBondContact O-N 3.48Å; M743-K747 VanDerWaalsContact O-N 3.14Å; R744-K747 PolarHBondContact O-N 3.25Å; R744-K747 VanDerWaalsContact O-N 3.16Å; T745-K747 VanDerWaalsContact C-N 3.33Å; T745-K747 PolarHBondContact O-N 3.34Å; K747-T750 WeakPolarHBondContact O-CB 3.5Å; K747-T750 PolarHBondContact O-N 3.42Å; K747-L751 WeakPolarHBondContact O-CG 3.28Å; K747-L751 PolarHBondContact O-N 2.91Å; K747-L751 VanDerWaalsContact O-N 3.09Å; K747-D782 IonicContact NZ-OD2 2.73Å |
| 748 | R | 96.3 | Very high | 96.3 | Very high | 21 Ų | 21 | 23 Ų | 23 | 8% | 0.079 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.1 | -47 | 179 | -72.7 | -170.9 | 173 | -165.1 | -1.5 | 111.8 | D431 R744 T745 T750 L751 K752 E792 E794 E838 | D431-R748 IonicContact OD2-NH1 3.31Å; D431-R748 PolarHBondContact OD2-NH1 2.92Å; R744-R748 WeakPolarHBondContact O-CG 3.28Å; R744-R748 PolarHBondContact O-N 3.18Å; T745-R748 PolarHBondContact O-N 2.89Å; R748-T750 VanDerWaalsContact C-N 3.31Å; R748-T750 PolarHBondContact O-N 3.37Å; R748-L751 PolarHBondContact O-N 3.05Å; R748-L751 VanDerWaalsContact O-N 3.15Å; R748-K752 WeakPolarHBondContact O-CB 3.35Å; R748-K752 WeakPolarHBondContact O-CG 3.39Å; R748-K752 PolarHBondContact O-N 3.03Å; R748-E792 HydrophobicContact CG-CG 4.42Å; R748-E792 WeakPolarHBondContact CG-OE1 3.17Å; R748-E792 IonicContact CZ-OE1 2.84Å; R748-E792 IonicContact NE-OE1 3.77Å; R748-E792 PolarHBondContact NE-OE1 2.7Å; R748-E792 IonicContact NE-OE2 2.79Å; R748-E792 IonicContact NH2-OE1 3.99Å; R748-E792 PolarHBondContact NH2-OE1 3.47Å; R748-E794 WeakPolarHBondContact CA-OE2 3.47Å; R748-E794 WeakPolarHBondContact CB-OE2 3.26Å; R748-E794 WeakPolarHBondContact CD-OE1 3.32Å; R748-E794 VanDerWaalsContact CG-CD 3.49Å; R748-E794 HydrophobicContact CG-CG 4.37Å; R748-E794 VanDerWaalsContact CG-OE2 3.31Å; R748-E794 WeakPolarHBondContact CG-OE2 3.43Å; R748-E794 IonicContact NE-OE1 3.97Å; R748-E838 IonicContact NH2-OE1 3.47Å; R748-E838 IonicContact NH2-OE2 2.79Å; R748-E838 PolarHBondContact NH2-OE2 3.48Å |
| 749 | E | 97.1 | Very high | 96.6 | Very high | 19 Ų | 19 | 20 Ų | 20 | 9% | 0.089 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.2 | -30.8 | 179.6 | -62.7 | -58.3 | 132.3 | 0 | 0 | 112.6 | L687 K688 T745 K752 L753 | L687-E749 HydrophobicContact CB-CB 3.78Å; L687-E749 HydrophobicContact CD1-CB 4.39Å; K688-E749 HydrophobicContact CG-CG 3.79Å; K688-E749 WeakPolarHBondContact CG-OE2 3.39Å; T745-E749 HydrophobicContact CG2-CG 4.13Å; T745-E749 WeakPolarHBondContact O-CB 3.17Å; T745-E749 VanDerWaalsContact O-CG 3.29Å; T745-E749 WeakPolarHBondContact O-CG 3.42Å; T745-E749 PolarHBondContact O-N 3.48Å; E749-K752 WeakPolarHBondContact OE1-CD 3.31Å; E749-K752 IonicContact OE1-NZ 3.34Å; E749-K752 PolarHBondContact OE1-NZ 2.86Å; E749-L753 WeakPolarHBondContact O-CB 3.49Å; E749-L753 PolarHBondContact O-N 3.3Å |
| 750 | T | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.7 | -51.3 | 168.6 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | L687 M712 Y716 V746 K747 R748 K752 L753 I754 | L687-T750 VanDerWaalsContact CD1-OG1 3.32Å; L687-T750 WeakPolarHBondContact CD1-OG1 3.49Å; M712-T750 HydrophobicContact CE-CG2 3.99Å; M712-T750 HydrophobicContact CG-CG2 3.67Å; M712-T750 HydrophobicContact SD-CG2 3.8Å; Y716-T750 HydrophobicContact CD2-CG2 3.84Å; Y716-T750 HydrophobicContact CG-CG2 4.4Å; V746-T750 WeakPolarHBondContact O-CB 3.47Å; V746-T750 PolarHBondContact O-N 3.07Å; V746-T750 PolarHBondContact O-OG1 3.09Å; K747-T750 WeakPolarHBondContact O-CB 3.5Å; K747-T750 PolarHBondContact O-N 3.42Å; R748-T750 VanDerWaalsContact C-N 3.31Å; R748-T750 PolarHBondContact O-N 3.37Å; T750-K752 PolarHBondContact O-N 2.94Å; T750-L753 PolarHBondContact O-N 3.32Å; T750-I754 HydrophobicContact CG2-CD1 4.05Å; T750-I754 VanDerWaalsContact O-CG1 3.3Å; T750-I754 WeakPolarHBondContact O-CG1 3.47Å; T750-I754 PolarHBondContact O-N 2.79Å; T750-I754 VanDerWaalsContact O-N 3.08Å |
| 751 | L | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | -179.1 | -68.7 | 170.6 | 0 | 0 | 0 | 112.2 | Y716 K747 R748 I754 S755 V779 E792 E794 V795 T798 | Y716-L751 HydrophobicContact CE2-CD1 4.11Å; Y716-L751 HydrophobicContact CE2-CD2 4.17Å; Y716-L751 HydrophobicContact CE2-CG 3.91Å; K747-L751 WeakPolarHBondContact O-CG 3.28Å; K747-L751 PolarHBondContact O-N 2.91Å; K747-L751 VanDerWaalsContact O-N 3.09Å; R748-L751 PolarHBondContact O-N 3.05Å; R748-L751 VanDerWaalsContact O-N 3.15Å; L751-I754 PolarHBondContact O-N 3.44Å; L751-S755 WeakPolarHBondContact O-CB 3.37Å; L751-S755 PolarHBondContact O-N 2.96Å; L751-S755 PolarHBondContact O-OG 3.37Å; L751-V779 HydrophobicContact CD2-CG1 4.02Å; L751-E792 HydrophobicContact CD1-CG 4Å; L751-E794 HydrophobicContact CD1-CB 3.81Å; L751-V795 HydrophobicContact CD1-CG2 3.75Å; L751-V795 HydrophobicContact CD2-CG2 4.19Å; L751-T798 HydrophobicContact CD2-CG2 4.21Å |
| 752 | K | 97.6 | Very high | 97 | Very high | 75 Ų | 75 | 22.7 Ų | 22.7 | 33% | 0.326 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -63 | -37.7 | 173.9 | -73.4 | 169.8 | -178.7 | 170.3 | 0 | 112.8 | V691 R748 E749 T750 S755 G756 | V691-K752 HydrophobicContact CG2-CB 4.26Å; R748-K752 WeakPolarHBondContact O-CB 3.35Å; R748-K752 WeakPolarHBondContact O-CG 3.39Å; R748-K752 PolarHBondContact O-N 3.03Å; E749-K752 WeakPolarHBondContact OE1-CD 3.31Å; E749-K752 IonicContact OE1-NZ 3.34Å; E749-K752 PolarHBondContact OE1-NZ 2.86Å; T750-K752 PolarHBondContact O-N 2.94Å; K752-S755 PolarHBondContact O-OG 2.98Å; K752-G756 VanDerWaalsContact O-CA 3.28Å; K752-G756 WeakPolarHBondContact O-CA 3.43Å; K752-G756 PolarHBondContact O-N 3.44Å |
| 753 | L | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.7 | -47 | 175.9 | 179.6 | 56 | 0 | 0 | 0 | 110.8 | L687 N690 V691 C694 F701 L705 I708 M712 E749 T750 W757 | L687-L753 HydrophobicContact CD2-CD2 4.38Å; N690-L753 HydrophobicContact CB-CD1 4.1Å; N690-L753 HydrophobicContact CB-CD2 3.7Å; V691-L753 HydrophobicContact CG2-CB 3.76Å; V691-L753 HydrophobicContact CG2-CD1 4.4Å; C694-L753 HydrophobicContact CB-CD1 3.69Å; F701-L753 HydrophobicContact CE1-CD1 4.04Å; L705-L753 HydrophobicContact CD1-CD2 4.05Å; L705-L753 HydrophobicContact CD1-CG 4.04Å; I708-L753 HydrophobicContact CD1-CD2 4.34Å; M712-L753 HydrophobicContact CE-CD2 4.4Å; M712-L753 HydrophobicContact SD-CD2 3.79Å; E749-L753 WeakPolarHBondContact O-CB 3.49Å; E749-L753 PolarHBondContact O-N 3.3Å; T750-L753 PolarHBondContact O-N 3.32Å; L753-W757 WeakPolarHBondContact O-CB 3.46Å; L753-W757 PolarHBondContact O-N 3.49Å |
| 754 | I | 98.2 | Very high | 97 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.1 | -56.1 | -179.8 | -62.8 | 175.8 | 0 | 0 | 0 | 110.4 | Y709 M712 L713 T750 L751 G756 W757 V758 L775 I802 | Y709-I754 HydrophobicContact CE2-CD1 4Å; Y709-I754 HydrophobicContact CE2-CG1 4.01Å; M712-I754 HydrophobicContact CE-CD1 3.97Å; M712-I754 HydrophobicContact CE-CG1 3.81Å; L713-I754 HydrophobicContact CD2-CD1 4.04Å; T750-I754 HydrophobicContact CG2-CD1 4.05Å; T750-I754 VanDerWaalsContact O-CG1 3.3Å; T750-I754 WeakPolarHBondContact O-CG1 3.47Å; T750-I754 PolarHBondContact O-N 2.79Å; T750-I754 VanDerWaalsContact O-N 3.08Å; L751-I754 PolarHBondContact O-N 3.44Å; I754-G756 VanDerWaalsContact C-N 3.33Å; I754-G756 PolarHBondContact O-N 3.29Å; I754-W757 PolarHBondContact O-N 3.34Å; I754-V758 VanDerWaalsContact O-CG2 3.31Å; I754-V758 WeakPolarHBondContact O-CG2 3.32Å; I754-V758 PolarHBondContact O-N 2.95Å; I754-L775 HydrophobicContact CD1-CD1 3.83Å; I754-L775 HydrophobicContact CG2-CD2 4.34Å; I754-I802 HydrophobicContact CG2-CD1 4.42Å |
| 755 | S | 97.2 | Very high | 97 | Very high | 19 Ų | 19 | 29.7 Ų | 29.7 | 13% | 0.133 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | -179.2 | 61.4 | 0 | 0 | 0 | 0 | 111.8 | L751 K752 W757 V758 S759 | L751-S755 WeakPolarHBondContact O-CB 3.37Å; L751-S755 PolarHBondContact O-N 2.96Å; L751-S755 PolarHBondContact O-OG 3.37Å; K752-S755 PolarHBondContact O-OG 2.98Å; S755-W757 PolarHBondContact O-N 3.35Å; S755-V758 PolarHBondContact O-N 3.09Å; S755-S759 VanDerWaalsContact O-CB 3.3Å; S755-S759 WeakPolarHBondContact O-CB 3.35Å; S755-S759 PolarHBondContact O-N 3Å; S755-S759 PolarHBondContact O-OG 3.25Å |
| 756 | G | 97.2 | Very high | 97 | Very high | 17 Ų | 17 | 31.2 Ų | 31.2 | 18% | 0.175 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.6 | -39.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K752 I754 S759 R760 | K752-G756 VanDerWaalsContact O-CA 3.28Å; K752-G756 WeakPolarHBondContact O-CA 3.43Å; K752-G756 PolarHBondContact O-N 3.44Å; I754-G756 VanDerWaalsContact C-N 3.33Å; I754-G756 PolarHBondContact O-N 3.29Å; G756-S759 PolarHBondContact O-OG 3.36Å; G756-R760 PolarHBondContact O-NH1 2.93Å |
| 757 | W | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.9 | -49.2 | 172.3 | -179.4 | 75.2 | 0 | 0 | 0 | 112.2 | C694 H699 V702 L705 L753 I754 S755 S759 R760 S761 M766 V767 F771 | C694-W757 WeakPolarHBondContact SG-CA 3.3Å; C694-W757 WeakPolarHBondContact SG-CB 3.48Å; H699-W757 PolarHBondContact O-NE1 3.47Å; H699-W757 VanDerWaalsContact O-NE1 3.1Å; V702-W757 HydrophobicContact CB-CH2 4.48Å; V702-W757 HydrophobicContact CB-CZ2 3.51Å; V702-W757 HydrophobicContact CG2-CH2 3.89Å; V702-W757 HydrophobicContact CG2-CZ2 3.39Å; L705-W757 HydrophobicContact CD2-CB 3.83Å; L705-W757 HydrophobicContact CD2-CD2 3.47Å; L705-W757 VanDerWaalsContact CD2-CD2 3.47Å; L705-W757 HydrophobicContact CD2-CE3 3.48Å; L705-W757 VanDerWaalsContact CD2-CE3 3.48Å; L705-W757 HydrophobicContact CD2-CG 3.61Å; L705-W757 HydrophobicContact CD2-CZ3 4.22Å; L753-W757 WeakPolarHBondContact O-CB 3.46Å; L753-W757 PolarHBondContact O-N 3.49Å; I754-W757 PolarHBondContact O-N 3.34Å; S755-W757 PolarHBondContact O-N 3.35Å; W757-S759 VanDerWaalsContact C-N 3.29Å; W757-S759 PolarHBondContact O-N 2.8Å; W757-R760 CarbonylContact O-C 3.58Å; W757-R760 WeakPolarHBondContact O-CA 2.99Å; W757-R760 PolarHBondContact O-N 3.17Å; W757-S761 PolarHBondContact O-N 3Å; W757-M766 HydrophobicContact CH2-CE 4.22Å; W757-M766 HydrophobicContact CH2-SD 4.16Å; W757-M766 HydrophobicContact CZ2-CE 4.28Å; W757-V767 HydrophobicContact CH2-CG2 3.63Å; W757-V767 HydrophobicContact CZ3-CG1 4.37Å; W757-V767 HydrophobicContact CZ3-CG2 3.71Å; W757-F771 AromaticContact CH2-CD2 3.87Å; W757-F771 HydrophobicContact CH2-CD2 3.87Å; W757-F771 AromaticContact CH2-CE2 3.71Å; W757-F771 HydrophobicContact CH2-CE2 3.71Å; W757-F771 HydrophobicContact CH2-CG 4.42Å; W757-F771 HydrophobicContact CH2-CZ 4.12Å; W757-F771 HydrophobicContact CZ3-CD1 4.22Å; W757-F771 AromaticContact CZ3-CD2 3.84Å; W757-F771 HydrophobicContact CZ3-CD2 3.84Å; W757-F771 HydrophobicContact CZ3-CE1 4.4Å; W757-F771 HydrophobicContact CZ3-CE2 4.04Å; W757-F771 AromaticContact CZ3-CG 3.94Å; W757-F771 HydrophobicContact CZ3-CG 3.94Å; W757-F771 HydrophobicContact CZ3-CZ 4.31Å |
| 758 | V | 97.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56 | -46.2 | -178.4 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | I754 S755 R760 S761 V767 I802 K805 | I754-V758 VanDerWaalsContact O-CG2 3.31Å; I754-V758 WeakPolarHBondContact O-CG2 3.32Å; I754-V758 PolarHBondContact O-N 2.95Å; S755-V758 PolarHBondContact O-N 3.09Å; V758-R760 PolarHBondContact O-N 3.48Å; V758-S761 WeakPolarHBondContact O-CB 3.47Å; V758-S761 PolarHBondContact O-N 3.08Å; V758-S761 PolarHBondContact O-OG 2.96Å; V758-V767 HydrophobicContact CG1-CG1 4.24Å; V758-V767 HydrophobicContact CG2-CG1 3.92Å; V758-I802 HydrophobicContact CB-CG1 4.35Å; V758-I802 HydrophobicContact CG1-CB 4.46Å; V758-I802 HydrophobicContact CG1-CG1 4.05Å; V758-I802 HydrophobicContact CG2-CG1 4.32Å; V758-K805 HydrophobicContact CG1-CB 4Å; V758-K805 HydrophobicContact CG1-CG 3.93Å; V758-K805 WeakPolarHBondContact O-CG 3.11Å |
| 759 | S | 96.8 | Very high | 96.7 | Very high | 47 Ų | 47 | 36.7 Ų | 36.7 | 33% | 0.329 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -52.3 | -31 | 176.5 | 66.9 | 0 | 0 | 0 | 0 | 114.1 | S755 G756 W757 | S755-S759 VanDerWaalsContact O-CB 3.3Å; S755-S759 WeakPolarHBondContact O-CB 3.35Å; S755-S759 PolarHBondContact O-N 3Å; S755-S759 PolarHBondContact O-OG 3.25Å; G756-S759 PolarHBondContact O-OG 3.36Å; W757-S759 VanDerWaalsContact C-N 3.29Å; W757-S759 PolarHBondContact O-N 2.8Å |
| 760 | R | 96.8 | Very high | 96.6 | Very high | 106 Ų | 106 | 40.2 Ų | 40.2 | 40% | 0.4 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -102.6 | -1.1 | -178.4 | -68.9 | 171.6 | 177.1 | 66.5 | 9.2 | 113.9 | K695 G756 W757 V758 | K695-R760 PolarHBondContact O-NE 3.03Å; G756-R760 PolarHBondContact O-NH1 2.93Å; W757-R760 CarbonylContact O-C 3.58Å; W757-R760 WeakPolarHBondContact O-CA 2.99Å; W757-R760 PolarHBondContact O-N 3.17Å; V758-R760 PolarHBondContact O-N 3.48Å |
| 761 | S | 96.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | trans | -68.3 | 148.5 | 176.6 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | W757 V758 K805 | W757-S761 PolarHBondContact O-N 3Å; V758-S761 WeakPolarHBondContact O-CB 3.47Å; V758-S761 PolarHBondContact O-N 3.08Å; V758-S761 PolarHBondContact O-OG 2.96Å; S761-K805 WeakPolarHBondContact O-CE 3.5Å; S761-K805 PolarHBondContact O-NZ 3.33Å | ||
| 762 | S | 95.3 | Very high | 96.3 | Very high | 87 Ų | 87 | 41.3 Ų | 41.3 | 61% | 0.608 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -109.6 | -1.8 | 176.3 | 47.5 | 0 | 0 | 0 | 0 | 113.8 | H699 | H699-S762 PolarHBondContact CD2-OG 2.79Å; H699-S762 VanDerWaalsContact CG-OG 3.29Å; H699-S762 PolarHBondContact ND1-N 3.34Å; H699-S762 PolarHBondContact NE2-OG 3.29Å |
| 763 | D | 95.9 | Very high | 96.2 | Very high | 66 Ų | 66 | 40.7 Ų | 40.7 | 35% | 0.353 | 23% | 0.226 | S | C | . | . | trans | -126.3 | 90.2 | -177.9 | -175.8 | -13.5 | 0 | 0 | 0 | 110.3 | Q765 M766 V767 | D763-Q765 VanDerWaalsContact C-N 3.27Å; D763-Q765 PolarHBondContact O-N 2.97Å; D763-Q765 PolarHBondContact OD1-N 3.16Å; D763-M766 HydrophobicContact CB-CB 4.12Å; D763-M766 HydrophobicContact CB-CE 4.18Å; D763-M766 PolarHBondContact OD1-N 3.47Å; D763-M766 VanDerWaalsContact OD2-CB 3.25Å; D763-M766 WeakPolarHBondContact OD2-CB 3.43Å; D763-V767 WeakPolarHBondContact O-CG2 3.23Å; D763-V767 PolarHBondContact O-N 2.86Å | ||
| 764 | P | 94.8 | Very high | 96 | Very high | 35 Ų | 35 | 42.1 Ų | 42.1 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63 | -31 | -179.6 | -24.4 | 35.6 | 0 | 0 | 0 | 113.9 | G768 L806 H809 | P764-G768 PolarHBondContact O-N 2.96Å; P764-L806 HydrophobicContact CB-CD2 3.76Å; P764-H809 HydrophobicContact CB-CB 4.44Å |
| 765 | Q | 94.6 | Very high | 95.8 | Very high | 109 Ų | 109 | 42.2 Ų | 42.2 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.6 | -49.6 | -178.3 | -177.4 | 175.3 | -2.2 | 0 | 0 | 110.3 | D763 V767 G768 E769 | D763-Q765 VanDerWaalsContact C-N 3.27Å; D763-Q765 PolarHBondContact O-N 2.97Å; D763-Q765 PolarHBondContact OD1-N 3.16Å; Q765-V767 PolarHBondContact O-N 3.24Å; Q765-G768 PolarHBondContact O-N 3.07Å; Q765-G768 VanDerWaalsContact O-N 3.12Å; Q765-E769 HydrophobicContact CG-CG 4.42Å; Q765-E769 VanDerWaalsContact CG-OE1 3.3Å; Q765-E769 WeakPolarHBondContact CG-OE1 3.46Å; Q765-E769 PolarHBondContact NE2-OE1 2.59Å; Q765-E769 WeakPolarHBondContact O-CG 3.35Å; Q765-E769 PolarHBondContact O-N 3.37Å |
| 766 | M | 96.4 | Very high | 95.5 | Very high | 40 Ų | 40 | 42.2 Ų | 42.2 | 20% | 0.197 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -36.4 | 177.1 | 178.9 | -92 | -70.8 | 0 | 0 | 112.2 | V702 W757 D763 N770 F771 | V702-M766 HydrophobicContact CG2-CE 4.18Å; V702-M766 HydrophobicContact CG2-SD 4.27Å; W757-M766 HydrophobicContact CH2-CE 4.22Å; W757-M766 HydrophobicContact CH2-SD 4.16Å; W757-M766 HydrophobicContact CZ2-CE 4.28Å; D763-M766 HydrophobicContact CB-CB 4.12Å; D763-M766 HydrophobicContact CB-CE 4.18Å; D763-M766 PolarHBondContact OD1-N 3.47Å; D763-M766 VanDerWaalsContact OD2-CB 3.25Å; D763-M766 WeakPolarHBondContact OD2-CB 3.43Å; M766-N770 WeakPolarHBondContact O-CB 3.47Å; M766-N770 PolarHBondContact O-N 2.97Å; M766-N770 VanDerWaalsContact O-N 3.1Å; M766-N770 PolarHBondContact O-ND2 2.81Å; M766-F771 HydrophobicContact SD-CD2 4.13Å; M766-F771 HydrophobicContact SD-CE2 3.65Å |
| 767 | V | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.7 | -49 | 173.7 | 178.4 | 0 | 0 | 0 | 0 | 111 | W757 V758 D763 Q765 E769 F771 V772 L806 | W757-V767 HydrophobicContact CH2-CG2 3.63Å; W757-V767 HydrophobicContact CZ3-CG1 4.37Å; W757-V767 HydrophobicContact CZ3-CG2 3.71Å; V758-V767 HydrophobicContact CG1-CG1 4.24Å; V758-V767 HydrophobicContact CG2-CG1 3.92Å; D763-V767 WeakPolarHBondContact O-CG2 3.23Å; D763-V767 PolarHBondContact O-N 2.86Å; Q765-V767 PolarHBondContact O-N 3.24Å; V767-E769 VanDerWaalsContact C-N 3.33Å; V767-E769 PolarHBondContact O-N 3.5Å; V767-F771 HydrophobicContact CG1-CB 4.44Å; V767-F771 PolarHBondContact O-N 3.13Å; V767-V772 HydrophobicContact CG1-CG2 4.38Å; V767-V772 PolarHBondContact O-N 3.33Å; V767-V772 VanDerWaalsContact O-N 3.08Å; V767-L806 HydrophobicContact CB-CD2 3.89Å; V767-L806 HydrophobicContact CG1-CD1 4.01Å; V767-L806 HydrophobicContact CG1-CD2 3.88Å; V767-L806 HydrophobicContact CG1-CG 4.45Å |
| 768 | G | 93.3 | Very high | 95 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 19% | 0.186 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.8 | -37.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P764 Q765 P773 | P764-G768 PolarHBondContact O-N 2.96Å; Q765-G768 PolarHBondContact O-N 3.07Å; Q765-G768 VanDerWaalsContact O-N 3.12Å; G768-P773 WeakPolarHBondContact O-CD 3.38Å |
| 769 | E | 94.1 | Very high | 94.9 | Very high | 120 Ų | 120 | 48.3 Ų | 48.3 | 56% | 0.561 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -83.3 | -37.3 | -177.7 | -69 | 175.8 | -173.3 | 0 | 0 | 113.1 | Q765 V767 | Q765-E769 HydrophobicContact CG-CG 4.42Å; Q765-E769 VanDerWaalsContact CG-OE1 3.3Å; Q765-E769 WeakPolarHBondContact CG-OE1 3.46Å; Q765-E769 PolarHBondContact NE2-OE1 2.59Å; Q765-E769 WeakPolarHBondContact O-CG 3.35Å; Q765-E769 PolarHBondContact O-N 3.37Å; V767-E769 VanDerWaalsContact C-N 3.33Å; V767-E769 PolarHBondContact O-N 3.5Å |
| 770 | N | 94.7 | Very high | 94.8 | Very high | 93 Ų | 93 | 46.2 Ų | 46.2 | 50% | 0.497 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -104.9 | -35.2 | -170.1 | -58.9 | -63.5 | 0 | 0 | 0 | 114.5 | M766 P774 | M766-N770 WeakPolarHBondContact O-CB 3.47Å; M766-N770 PolarHBondContact O-N 2.97Å; M766-N770 VanDerWaalsContact O-N 3.1Å; M766-N770 PolarHBondContact O-ND2 2.81Å; N770-P774 WeakPolarHBondContact O-CD 3.49Å |
| 771 | F | 96.1 | Very high | 94.6 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 9% | 0.088 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -34.7 | -171.7 | -69.1 | -90.7 | 0 | 0 | 0 | 112.7 | V702 L705 Y709 W757 M766 V767 | V702-F771 HydrophobicContact CG2-CE2 3.95Å; V702-F771 HydrophobicContact CG2-CZ 3.71Å; L705-F771 HydrophobicContact CD2-CD1 4.31Å; L705-F771 HydrophobicContact CD2-CE1 3.95Å; L705-F771 HydrophobicContact CG-CE1 4.01Å; Y709-F771 AromaticContact CD1-CD1 3.92Å; Y709-F771 HydrophobicContact CD1-CD1 3.92Å; Y709-F771 HydrophobicContact CD1-CE1 4.3Å; Y709-F771 AromaticContact CD2-CD1 3.89Å; Y709-F771 HydrophobicContact CD2-CD1 3.89Å; Y709-F771 HydrophobicContact CD2-CE1 4.13Å; Y709-F771 HydrophobicContact CE1-CB 4.36Å; Y709-F771 AromaticContact CE1-CD1 3.81Å; Y709-F771 HydrophobicContact CE1-CD1 3.81Å; Y709-F771 HydrophobicContact CE1-CG 4.48Å; Y709-F771 AromaticContact CE2-CD1 3.8Å; Y709-F771 HydrophobicContact CE2-CD1 3.8Å; Y709-F771 HydrophobicContact CE2-CE1 4.48Å; Y709-F771 AromaticContact CG-CD1 3.97Å; Y709-F771 HydrophobicContact CG-CD1 3.97Å; Y709-F771 HydrophobicContact CG-CE1 4.06Å; Y709-F771 AromaticContact CZ-CD1 3.77Å; Y709-F771 PolarHBondContact OH-O 3.04Å; W757-F771 AromaticContact CH2-CD2 3.87Å; W757-F771 HydrophobicContact CH2-CD2 3.87Å; W757-F771 AromaticContact CH2-CE2 3.71Å; W757-F771 HydrophobicContact CH2-CE2 3.71Å; W757-F771 HydrophobicContact CH2-CG 4.42Å; W757-F771 HydrophobicContact CH2-CZ 4.12Å; W757-F771 HydrophobicContact CZ3-CD1 4.22Å; W757-F771 AromaticContact CZ3-CD2 3.84Å; W757-F771 HydrophobicContact CZ3-CD2 3.84Å; W757-F771 HydrophobicContact CZ3-CE1 4.4Å; W757-F771 HydrophobicContact CZ3-CE2 4.04Å; W757-F771 AromaticContact CZ3-CG 3.94Å; W757-F771 HydrophobicContact CZ3-CG 3.94Å; W757-F771 HydrophobicContact CZ3-CZ 4.31Å; M766-F771 HydrophobicContact SD-CD2 4.13Å; M766-F771 HydrophobicContact SD-CE2 3.65Å; V767-F771 HydrophobicContact CG1-CB 4.44Å; V767-F771 PolarHBondContact O-N 3.13Å |
| 772 | V | 95.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.03 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -48.1 | -179.8 | 175.5 | 0 | 0 | 0 | 0 | 112.7 | V767 L775 L776 I802 L806 I810 | V767-V772 HydrophobicContact CG1-CG2 4.38Å; V767-V772 PolarHBondContact O-N 3.33Å; V767-V772 VanDerWaalsContact O-N 3.08Å; V772-L775 WeakPolarHBondContact O-CB 3.38Å; V772-L775 PolarHBondContact O-N 2.9Å; V772-L775 VanDerWaalsContact O-N 3.08Å; V772-L776 HydrophobicContact CG1-CD1 4.08Å; V772-L776 HydrophobicContact CG1-CD2 4.26Å; V772-L776 HydrophobicContact CG1-CG 4.02Å; V772-L776 WeakPolarHBondContact O-CG 3.43Å; V772-L776 PolarHBondContact O-N 3.4Å; V772-I802 HydrophobicContact CG2-CG2 4.21Å; V772-L806 HydrophobicContact CG2-CD1 3.66Å; V772-I810 HydrophobicContact CG1-CD1 3.93Å; V772-I810 HydrophobicContact CG1-CG1 4.44Å; V772-I810 HydrophobicContact CG2-CD1 4.21Å |
| 773 | P | 95 | Very high | 94.6 | Very high | 62 Ų | 62 | 40.4 Ų | 40.4 | 40% | 0.403 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.8 | -45.4 | -172.6 | -21.5 | 32.6 | 0 | 0 | 0 | 114 | G768 L775 L776 E777 | G768-P773 WeakPolarHBondContact O-CD 3.38Å; P773-L775 VanDerWaalsContact C-N 3.28Å; P773-L775 PolarHBondContact O-N 3.5Å; P773-L776 PolarHBondContact O-N 3.31Å; P773-E777 PolarHBondContact O-N 2.83Å |
| 774 | P | 95.1 | Very high | 94.6 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 21% | 0.208 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -33.7 | 175.1 | -22.4 | 33.8 | 0 | 0 | 0 | 113.2 | Y709 L710 L713 N770 E777 A778 | Y709-P774 HydrophobicContact CE1-CB 4.07Å; Y709-P774 HydrophobicContact CE1-CG 4.3Å; L710-P774 HydrophobicContact CD2-CB 4.09Å; L710-P774 HydrophobicContact CD2-CG 4.28Å; L713-P774 HydrophobicContact CD1-CB 3.66Å; N770-P774 WeakPolarHBondContact O-CD 3.49Å; P774-E777 PolarHBondContact O-N 3.25Å; P774-A778 VanDerWaalsContact O-CB 3.3Å; P774-A778 WeakPolarHBondContact O-CB 3.33Å; P774-A778 PolarHBondContact O-N 2.89Å |
| 775 | L | 93.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 176.4 | -178.1 | 70.7 | 0 | 0 | 0 | 111.6 | L713 I754 V772 P773 E777 V779 M799 I802 | L713-L775 HydrophobicContact CD2-CD1 4.28Å; I754-L775 HydrophobicContact CD1-CD1 3.83Å; I754-L775 HydrophobicContact CG2-CD2 4.34Å; V772-L775 WeakPolarHBondContact O-CB 3.38Å; V772-L775 PolarHBondContact O-N 2.9Å; V772-L775 VanDerWaalsContact O-N 3.08Å; P773-L775 VanDerWaalsContact C-N 3.28Å; P773-L775 PolarHBondContact O-N 3.5Å; L775-E777 VanDerWaalsContact C-N 3.28Å; L775-E777 PolarHBondContact O-N 3.12Å; L775-V779 HydrophobicContact CD1-CB 3.86Å; L775-V779 HydrophobicContact CD1-CG1 4.42Å; L775-V779 HydrophobicContact CD1-CG2 3.5Å; L775-V779 VanDerWaalsContact CD1-CG2 3.5Å; L775-V779 HydrophobicContact CG-CB 4.45Å; L775-V779 WeakPolarHBondContact O-CB 3.36Å; L775-V779 PolarHBondContact O-N 3Å; L775-M799 HydrophobicContact CD2-SD 3.84Å; L775-I802 HydrophobicContact CD2-CD1 3.34Å |
| 776 | L | 91.4 | Very high | 94.8 | Very high | 20 Ų | 20 | 43.1 Ų | 43.1 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -58.7 | -43.3 | 178.3 | -59.3 | -177.6 | 0 | 0 | 0 | 110.9 | V772 P773 L780 I781 M799 E813 I817 | V772-L776 HydrophobicContact CG1-CD1 4.08Å; V772-L776 HydrophobicContact CG1-CD2 4.26Å; V772-L776 HydrophobicContact CG1-CG 4.02Å; V772-L776 WeakPolarHBondContact O-CG 3.43Å; V772-L776 PolarHBondContact O-N 3.4Å; P773-L776 PolarHBondContact O-N 3.31Å; L776-L780 HydrophobicContact CD2-CD1 3.32Å; L776-L780 HydrophobicContact CD2-CG 4.12Å; L776-L780 WeakPolarHBondContact O-CB 3.37Å; L776-L780 PolarHBondContact O-N 3.24Å; L776-I781 PolarHBondContact O-N 3.2Å; L776-M799 HydrophobicContact CD2-CE 4.14Å; L776-E813 HydrophobicContact CD1-CB 4.25Å; L776-E813 HydrophobicContact CD1-CG 4.44Å; L776-I817 HydrophobicContact CD2-CD1 4.25Å; L776-I817 HydrophobicContact CD2-CG1 3.59Å |
| 777 | E | 91 | Very high | 94.7 | Very high | 136 Ų | 136 | 42.7 Ų | 42.7 | 64% | 0.636 | 21% | 0.214 | S | C | * | . | I | π-helix | trans | -72.2 | -46.1 | -179.4 | -171.7 | 177.3 | 179.9 | 0 | 0 | 113.1 | P773 P774 L775 I781 | P773-E777 PolarHBondContact O-N 2.83Å; P774-E777 PolarHBondContact O-N 3.25Å; L775-E777 VanDerWaalsContact C-N 3.28Å; L775-E777 PolarHBondContact O-N 3.12Å; E777-I781 HydrophobicContact CG-CD1 4.49Å |
| 778 | A | 93.1 | Very high | 94.6 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -82.5 | -28.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L713 P774 D782 | L713-A778 HydrophobicContact CB-CB 3.81Å; L713-A778 HydrophobicContact CD1-CB 4.19Å; L713-A778 HydrophobicContact CD2-CB 4.24Å; L713-A778 HydrophobicContact CG-CB 4.3Å; P774-A778 VanDerWaalsContact O-CB 3.3Å; P774-A778 WeakPolarHBondContact O-CB 3.33Å; P774-A778 PolarHBondContact O-N 2.89Å; A778-D782 VanDerWaalsContact O-CB 3.23Å; A778-D782 WeakPolarHBondContact O-CB 3.33Å |
| 779 | V | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -112.2 | -46.6 | -172.1 | 178.5 | 0 | 0 | 0 | 0 | 112.6 | L713 Y716 L751 L775 Y783 V795 | L713-V779 HydrophobicContact CD2-CG2 3.96Å; Y716-V779 HydrophobicContact CD1-CG2 3.86Å; Y716-V779 HydrophobicContact CE1-CB 4.13Å; Y716-V779 HydrophobicContact CE1-CG1 3.95Å; Y716-V779 HydrophobicContact CE1-CG2 3.7Å; Y716-V779 HydrophobicContact CG-CG2 4.45Å; L751-V779 HydrophobicContact CD2-CG1 4.02Å; L775-V779 HydrophobicContact CD1-CB 3.86Å; L775-V779 HydrophobicContact CD1-CG1 4.42Å; L775-V779 HydrophobicContact CD1-CG2 3.5Å; L775-V779 VanDerWaalsContact CD1-CG2 3.5Å; L775-V779 HydrophobicContact CG-CB 4.45Å; L775-V779 WeakPolarHBondContact O-CB 3.36Å; L775-V779 PolarHBondContact O-N 3Å; V779-Y783 WeakPolarHBondContact O-CB 3.49Å; V779-Y783 PolarHBondContact O-N 3.16Å; V779-V795 HydrophobicContact CG1-CB 4.4Å; V779-V795 HydrophobicContact CG1-CG1 3.84Å; V779-V795 HydrophobicContact CG1-CG2 3.7Å |
| 780 | L | 94 | Very high | 94.6 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -75.4 | -43.7 | -174 | -58.4 | -166.9 | 0 | 0 | 0 | 112.5 | L776 D782 Y783 Q784 V795 M799 I817 A820 V821 | L776-L780 HydrophobicContact CD2-CD1 3.32Å; L776-L780 HydrophobicContact CD2-CG 4.12Å; L776-L780 WeakPolarHBondContact O-CB 3.37Å; L776-L780 PolarHBondContact O-N 3.24Å; L780-D782 VanDerWaalsContact C-N 3.27Å; L780-D782 PolarHBondContact O-N 3.44Å; L780-Y783 WeakPolarHBondContact O-CB 3.39Å; L780-Y783 PolarHBondContact O-N 3.43Å; L780-Q784 PolarHBondContact O-N 3.34Å; L780-V795 HydrophobicContact CD2-CG1 3.56Å; L780-M799 HydrophobicContact CD1-CE 4.33Å; L780-M799 HydrophobicContact CD1-SD 4.35Å; L780-M799 HydrophobicContact CD2-CG 3.77Å; L780-M799 HydrophobicContact CD2-SD 4.04Å; L780-I817 HydrophobicContact CD1-CB 4.09Å; L780-I817 HydrophobicContact CD1-CG1 3.85Å; L780-I817 HydrophobicContact CD1-CG2 3.97Å; L780-A820 HydrophobicContact CB-CB 3.69Å; L780-V821 HydrophobicContact CB-CG1 4.49Å; L780-V821 HydrophobicContact CD2-CG1 3.96Å |
| 781 | I | 92.8 | Very high | 94.7 | Very high | 64 Ų | 64 | 37.1 Ų | 37.1 | 33% | 0.328 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 175.2 | -59.8 | 177.1 | 0 | 0 | 0 | 110.3 | L776 E777 Q784 R785 | L776-I781 PolarHBondContact O-N 3.2Å; E777-I781 HydrophobicContact CG-CD1 4.49Å; I781-Q784 PolarHBondContact O-N 3.3Å; I781-R785 VanDerWaalsContact O-CG 3.31Å; I781-R785 WeakPolarHBondContact O-CG 3.3Å; I781-R785 PolarHBondContact O-N 2.98Å |
| 782 | D | 95.2 | Very high | 94.8 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 173.3 | 171.9 | 72.4 | 0 | 0 | 0 | 111.9 | S720 K747 A778 L780 Q784 R785 N786 | S720-D782 WeakPolarHBondContact CB-OD1 3.27Å; S720-D782 WeakPolarHBondContact CB-OD2 3.31Å; S720-D782 PolarHBondContact OG-OD1 2.96Å; S720-D782 PolarHBondContact OG-OD2 3.32Å; K747-D782 IonicContact NZ-OD2 2.73Å; A778-D782 VanDerWaalsContact O-CB 3.23Å; A778-D782 WeakPolarHBondContact O-CB 3.33Å; L780-D782 VanDerWaalsContact C-N 3.27Å; L780-D782 PolarHBondContact O-N 3.44Å; D782-Q784 VanDerWaalsContact C-N 3.31Å; D782-Q784 PolarHBondContact O-N 3.48Å; D782-R785 PolarHBondContact O-N 3.05Å; D782-N786 VanDerWaalsContact O-CG 3.29Å; D782-N786 PolarHBondContact O-N 3.41Å; D782-N786 PolarHBondContact O-ND2 3.26Å; D782-N786 PolarHBondContact OD2-ND2 2.94Å |
| 783 | Y | 97.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.1 | -46.2 | 174.2 | -179 | -83.6 | 0 | 0 | 0 | 111.9 | V779 L780 R785 N786 R791 E792 V795 V821 T825 H839 | V779-Y783 WeakPolarHBondContact O-CB 3.49Å; V779-Y783 PolarHBondContact O-N 3.16Å; L780-Y783 WeakPolarHBondContact O-CB 3.39Å; L780-Y783 PolarHBondContact O-N 3.43Å; Y783-R785 PolarHBondContact O-N 2.88Å; Y783-N786 PolarHBondContact O-N 3.24Å; Y783-R791 HydrophobicContact CD1-CG 4.41Å; Y783-R791 HydrophobicContact CD2-CB 4.07Å; Y783-R791 HydrophobicContact CD2-CG 4.25Å; Y783-R791 HydrophobicContact CE1-CB 4.48Å; Y783-R791 HydrophobicContact CE1-CG 4.24Å; Y783-R791 HydrophobicContact CE2-CB 3.61Å; Y783-R791 HydrophobicContact CE2-CG 4.11Å; Y783-R791 HydrophobicContact CG-CG 4.4Å; Y783-R791 VanDerWaalsContact O-CG 3.31Å; Y783-R791 WeakPolarHBondContact O-CG 3.5Å; Y783-R791 PolarHBondContact O-NE 2.86Å; Y783-E792 WeakPolarHBondContact CE2-O 3.38Å; Y783-V795 HydrophobicContact CD2-CB 3.86Å; Y783-V795 HydrophobicContact CD2-CG1 4.08Å; Y783-V795 HydrophobicContact CD2-CG2 3.96Å; Y783-V795 HydrophobicContact CE2-CB 4.27Å; Y783-V795 HydrophobicContact CG-CG1 4.35Å; Y783-V821 HydrophobicContact CD1-CB 4.26Å; Y783-V821 HydrophobicContact CD1-CG1 3.87Å; Y783-V821 HydrophobicContact CE1-CB 4.22Å; Y783-V821 HydrophobicContact CE1-CG1 4.29Å; Y783-V821 HydrophobicContact CG-CG1 4.44Å; Y783-T825 WeakPolarHBondContact CE1-OG1 3.38Å; Y783-T825 PolarHBondContact OH-OG1 3.25Å; Y783-T825 VanDerWaalsContact OH-OG1 3.07Å; Y783-H839 PolarHBondContact OH-CD2 2.72Å |
| 784 | Q | 96.8 | Very high | 94.9 | Very high | 82 Ų | 82 | 34.5 Ų | 34.5 | 38% | 0.383 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 179.3 | -168.8 | -176.9 | 37.8 | 0 | 0 | 112 | L780 I781 D782 N786 R791 D819 A820 | L780-Q784 PolarHBondContact O-N 3.34Å; I781-Q784 PolarHBondContact O-N 3.3Å; D782-Q784 VanDerWaalsContact C-N 3.31Å; D782-Q784 PolarHBondContact O-N 3.48Å; Q784-N786 VanDerWaalsContact C-N 3.32Å; Q784-N786 PolarHBondContact O-N 3.17Å; Q784-R791 PolarHBondContact O-NH2 3.02Å; Q784-D819 PolarHBondContact NE2-O 2.85Å; Q784-A820 VanDerWaalsContact CB-O 3.29Å; Q784-A820 WeakPolarHBondContact CB-O 3.47Å; Q784-A820 VanDerWaalsContact CG-O 3.3Å; Q784-A820 WeakPolarHBondContact CG-O 3.39Å |
| 785 | R | 95.2 | Very high | 95 | Very high | 179 Ų | 179 | 33 Ų | 33 | 68% | 0.675 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -71.1 | -24 | -177.4 | -72.1 | 176.9 | -177.7 | -170.6 | 2.7 | 113.8 | I781 D782 Y783 | I781-R785 VanDerWaalsContact O-CG 3.31Å; I781-R785 WeakPolarHBondContact O-CG 3.3Å; I781-R785 PolarHBondContact O-N 2.98Å; D782-R785 PolarHBondContact O-N 3.05Å; Y783-R785 PolarHBondContact O-N 2.88Å |
| 786 | N | 96.4 | Very high | 95.3 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -66.9 | 149.7 | -179.7 | -80.6 | -26.7 | 0 | 0 | 0 | 113.3 | S720 S724 D782 Y783 Q784 A790 R791 | S720-N786 PolarHBondContact OG-ND2 2.96Å; S724-N786 WeakPolarHBondContact CB-OD1 3.33Å; S724-N786 PolarHBondContact OG-OD1 3.01Å; S724-N786 VanDerWaalsContact OG-OD1 3.06Å; D782-N786 VanDerWaalsContact O-CG 3.29Å; D782-N786 PolarHBondContact O-N 3.41Å; D782-N786 PolarHBondContact O-ND2 3.26Å; D782-N786 PolarHBondContact OD2-ND2 2.94Å; Y783-N786 PolarHBondContact O-N 3.24Å; Q784-N786 VanDerWaalsContact C-N 3.32Å; Q784-N786 PolarHBondContact O-N 3.17Å; N786-A790 HydrophobicContact CB-CB 4.32Å; N786-R791 HydrophobicContact CB-CG 3.94Å; N786-R791 PolarHBondContact O-NE 3.42Å; N786-R791 PolarHBondContact O-NH2 3.08Å |
| 787 | V | 95.1 | Very high | 95.6 | Very high | 30 Ų | 30 | 33.1 Ų | 33.1 | 18% | 0.182 | 17% | 0.165 | C | C | . | . | trans | -63.7 | 150.4 | 169 | -64.3 | 0 | 0 | 0 | 0 | 110.6 | S724 V727 Q728 A789 A790 R791 | S724-V787 PolarHBondContact OG-N 3.22Å; V727-V787 HydrophobicContact CB-CG2 4.03Å; V727-V787 HydrophobicContact CG1-CG2 3.72Å; Q728-V787 HydrophobicContact CG-CG1 3.43Å; Q728-V787 VanDerWaalsContact CG-CG1 3.43Å; Q728-V787 HydrophobicContact CG-CG2 4.5Å; Q728-V787 VanDerWaalsContact NE2-CG1 3.26Å; V787-A789 VanDerWaalsContact C-N 3.32Å; V787-A789 PolarHBondContact O-N 2.56Å; V787-A789 VanDerWaalsContact O-N 3.16Å; V787-A790 HydrophobicContact CG2-CB 3.56Å; V787-A790 WeakPolarHBondContact O-CA 3.38Å; V787-A790 PolarHBondContact O-N 3.27Å; V787-R791 PolarHBondContact O-N 3.25Å | ||
| 788 | P | 95.1 | Very high | 95.9 | Very high | 62 Ų | 62 | 26.9 Ų | 26.9 | 40% | 0.403 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -48.7 | -47.3 | -174.4 | -32.1 | 37 | 0 | 0 | 0 | 114.5 | A790 R791 M828 F836 | P788-A790 PolarHBondContact O-N 3.2Å; P788-R791 PolarHBondContact O-N 3.08Å; P788-M828 HydrophobicContact CB-CE 4.07Å; P788-M828 HydrophobicContact CB-CG 4.16Å; P788-M828 HydrophobicContact CB-SD 4.19Å; P788-M828 WeakPolarHBondContact O-CE 2.95Å; P788-F836 HydrophobicContact CB-CZ 4.29Å |
| 789 | A | 93.3 | Very high | 96.1 | Very high | 21 Ų | 21 | 26.3 Ų | 26.3 | 17% | 0.174 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -70 | -15.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V727 E732 R744 V787 | V727-A789 HydrophobicContact CG1-CB 4.12Å; E732-A789 HydrophobicContact CG-CB 4.25Å; R744-A789 PolarHBondContact NH2-O 3.4Å; V787-A789 VanDerWaalsContact C-N 3.32Å; V787-A789 PolarHBondContact O-N 2.56Å; V787-A789 VanDerWaalsContact O-N 3.16Å |
| 790 | A | 94.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 3% | 0.033 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -96.6 | -9.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I723 N786 V787 P788 E792 | I723-A790 HydrophobicContact CG2-CB 4.13Å; N786-A790 HydrophobicContact CB-CB 4.32Å; V787-A790 HydrophobicContact CG2-CB 3.56Å; V787-A790 WeakPolarHBondContact O-CA 3.38Å; V787-A790 PolarHBondContact O-N 3.27Å; P788-A790 PolarHBondContact O-N 3.2Å; A790-E792 PolarHBondContact O-N 3.15Å |
| 791 | R | 97.1 | Very high | 96.4 | Very high | 27 Ų | 27 | 28.7 Ų | 28.7 | 10% | 0.102 | 15% | 0.146 | C | C | . | . | trans | -68.9 | 121.1 | 176.5 | -76.7 | 179 | -177.5 | 149.2 | 4.2 | 110.7 | Y783 Q784 N786 V787 P788 P793 C824 M828 H839 | Y783-R791 HydrophobicContact CD1-CG 4.41Å; Y783-R791 HydrophobicContact CD2-CB 4.07Å; Y783-R791 HydrophobicContact CD2-CG 4.25Å; Y783-R791 HydrophobicContact CE1-CB 4.48Å; Y783-R791 HydrophobicContact CE1-CG 4.24Å; Y783-R791 HydrophobicContact CE2-CB 3.61Å; Y783-R791 HydrophobicContact CE2-CG 4.11Å; Y783-R791 HydrophobicContact CG-CG 4.4Å; Y783-R791 VanDerWaalsContact O-CG 3.31Å; Y783-R791 WeakPolarHBondContact O-CG 3.5Å; Y783-R791 PolarHBondContact O-NE 2.86Å; Q784-R791 PolarHBondContact O-NH2 3.02Å; N786-R791 HydrophobicContact CB-CG 3.94Å; N786-R791 PolarHBondContact O-NE 3.42Å; N786-R791 PolarHBondContact O-NH2 3.08Å; V787-R791 PolarHBondContact O-N 3.25Å; P788-R791 PolarHBondContact O-N 3.08Å; R791-P793 WeakPolarHBondContact O-CD 3.37Å; R791-C824 PolarHBondContact NH1-O 2.95Å; R791-M828 VanDerWaalsContact CD-SD 3.59Å; R791-M828 PolarHBondContact NH1-SD 2.98Å; R791-H839 PolarHBondContact O-CE1 3.35Å; R791-H839 PolarHBondContact O-NE2 3.3Å | ||
| 792 | E | 96.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | trans | -82.5 | 113.5 | -178.9 | -174.5 | 57.3 | -132.8 | 0 | 0 | 110.8 | R744 R748 L751 Y783 A790 E794 V795 | R744-E792 IonicContact NH1-OE2 2.84Å; R748-E792 HydrophobicContact CG-CG 4.42Å; R748-E792 WeakPolarHBondContact CG-OE1 3.17Å; R748-E792 IonicContact CZ-OE1 2.84Å; R748-E792 IonicContact NE-OE1 3.77Å; R748-E792 PolarHBondContact NE-OE1 2.7Å; R748-E792 IonicContact NE-OE2 2.79Å; R748-E792 IonicContact NH2-OE1 3.99Å; R748-E792 PolarHBondContact NH2-OE1 3.47Å; L751-E792 HydrophobicContact CD1-CG 4Å; Y783-E792 WeakPolarHBondContact CE2-O 3.38Å; A790-E792 PolarHBondContact O-N 3.15Å; E792-E794 HydrophobicContact CG-CB 4.24Å; E792-E794 PolarHBondContact O-N 2.94Å; E792-V795 HydrophobicContact CB-CG2 4.26Å; E792-V795 WeakPolarHBondContact O-CB 3.5Å; E792-V795 WeakPolarHBondContact O-CG2 3.47Å; E792-V795 PolarHBondContact O-N 2.74Å; E792-V795 VanDerWaalsContact O-N 3.13Å | ||
| 793 | P | 96.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25 | -176.4 | 24.6 | -33.9 | 0 | 0 | 0 | 113.6 | R791 V795 L796 E838 H842 | R791-P793 WeakPolarHBondContact O-CD 3.37Å; P793-V795 PolarHBondContact O-N 3.09Å; P793-V795 VanDerWaalsContact O-N 3.14Å; P793-L796 PolarHBondContact O-N 3.34Å; P793-L796 VanDerWaalsContact O-N 3.09Å; P793-E838 HydrophobicContact CB-CB 3.74Å; P793-E838 HydrophobicContact CG-CB 3.68Å; P793-E838 HydrophobicContact CG-CG 4.49Å; P793-E838 WeakPolarHBondContact CG-OE2 3.24Å; P793-H842 PolarHBondContact O-ND1 3.03Å |
| 794 | E | 96.6 | Very high | 96.7 | Very high | 26 Ų | 26 | 29.3 Ų | 29.3 | 12% | 0.121 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -15.7 | 175.2 | -71.4 | -170.7 | -178.5 | 0 | 0 | 113.5 | R748 L751 E792 L796 S797 T798 | R748-E794 WeakPolarHBondContact CA-OE2 3.47Å; R748-E794 WeakPolarHBondContact CB-OE2 3.26Å; R748-E794 WeakPolarHBondContact CD-OE1 3.32Å; R748-E794 VanDerWaalsContact CG-CD 3.49Å; R748-E794 HydrophobicContact CG-CG 4.37Å; R748-E794 VanDerWaalsContact CG-OE2 3.31Å; R748-E794 WeakPolarHBondContact CG-OE2 3.43Å; R748-E794 IonicContact NE-OE1 3.97Å; L751-E794 HydrophobicContact CD1-CB 3.81Å; E792-E794 HydrophobicContact CG-CB 4.24Å; E792-E794 PolarHBondContact O-N 2.94Å; E794-L796 VanDerWaalsContact C-N 3.29Å; E794-L796 PolarHBondContact O-N 3.05Å; E794-S797 WeakPolarHBondContact CA-OG 3.28Å; E794-S797 PolarHBondContact O-OG 2.78Å; E794-T798 WeakPolarHBondContact O-CB 3.38Å; E794-T798 PolarHBondContact O-N 3.01Å; E794-T798 PolarHBondContact O-OG1 2.89Å |
| 795 | V | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 171.7 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | Y716 L751 V779 L780 Y783 E792 P793 T798 M799 | Y716-V795 VanDerWaalsContact OH-CG2 3.3Å; Y716-V795 WeakPolarHBondContact OH-CG2 3.38Å; L751-V795 HydrophobicContact CD1-CG2 3.75Å; L751-V795 HydrophobicContact CD2-CG2 4.19Å; V779-V795 HydrophobicContact CG1-CB 4.4Å; V779-V795 HydrophobicContact CG1-CG1 3.84Å; V779-V795 HydrophobicContact CG1-CG2 3.7Å; L780-V795 HydrophobicContact CD2-CG1 3.56Å; Y783-V795 HydrophobicContact CD2-CB 3.86Å; Y783-V795 HydrophobicContact CD2-CG1 4.08Å; Y783-V795 HydrophobicContact CD2-CG2 3.96Å; Y783-V795 HydrophobicContact CE2-CB 4.27Å; Y783-V795 HydrophobicContact CG-CG1 4.35Å; E792-V795 HydrophobicContact CB-CG2 4.26Å; E792-V795 WeakPolarHBondContact O-CB 3.5Å; E792-V795 WeakPolarHBondContact O-CG2 3.47Å; E792-V795 PolarHBondContact O-N 2.74Å; E792-V795 VanDerWaalsContact O-N 3.13Å; P793-V795 PolarHBondContact O-N 3.09Å; P793-V795 VanDerWaalsContact O-N 3.14Å; V795-T798 PolarHBondContact O-N 3.49Å; V795-M799 WeakPolarHBondContact O-CG 3.48Å; V795-M799 PolarHBondContact O-N 3.39Å |
| 796 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.1 | -43.8 | -177.4 | -58.5 | 172.4 | 0 | 0 | 0 | 111.3 | P793 E794 M799 A800 V821 T825 H842 F843 L846 | P793-L796 PolarHBondContact O-N 3.34Å; P793-L796 VanDerWaalsContact O-N 3.09Å; E794-L796 VanDerWaalsContact C-N 3.29Å; E794-L796 PolarHBondContact O-N 3.05Å; L796-M799 PolarHBondContact O-N 3.31Å; L796-A800 PolarHBondContact O-N 2.78Å; L796-V821 HydrophobicContact CD2-CB 3.78Å; L796-V821 HydrophobicContact CD2-CG1 4.29Å; L796-V821 HydrophobicContact CD2-CG2 3.8Å; L796-T825 HydrophobicContact CD1-CG2 3.93Å; L796-H842 HydrophobicContact CB-CB 3.69Å; L796-H842 HydrophobicContact CD1-CB 4.41Å; L796-F843 HydrophobicContact CD1-CB 4.01Å; L796-L846 HydrophobicContact CD2-CD2 4.16Å |
| 797 | S | 97.2 | Very high | 96.8 | Very high | 26 Ų | 26 | 20.8 Ų | 20.8 | 18% | 0.182 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.4 | -31.8 | 177.5 | 60 | 0 | 0 | 0 | 0 | 112.8 | E794 A800 T801 | E794-S797 WeakPolarHBondContact CA-OG 3.28Å; E794-S797 PolarHBondContact O-OG 2.78Å; S797-A800 WeakPolarHBondContact O-CB 3.45Å; S797-A800 PolarHBondContact O-N 3.32Å; S797-T801 PolarHBondContact O-N 3.25Å; S797-T801 PolarHBondContact O-OG1 3.03Å |
| 798 | T | 97.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.025 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -48.3 | 171.1 | -66.7 | 0 | 0 | 0 | 0 | 110.7 | L751 E794 V795 A800 T801 I802 | L751-T798 HydrophobicContact CD2-CG2 4.21Å; E794-T798 WeakPolarHBondContact O-CB 3.38Å; E794-T798 PolarHBondContact O-N 3.01Å; E794-T798 PolarHBondContact O-OG1 2.89Å; V795-T798 PolarHBondContact O-N 3.49Å; T798-A800 VanDerWaalsContact C-N 3.33Å; T798-A800 PolarHBondContact O-N 2.84Å; T798-T801 WeakPolarHBondContact O-CB 3.4Å; T798-T801 PolarHBondContact O-N 3.17Å; T798-I802 HydrophobicContact CG2-CD1 3.95Å; T798-I802 VanDerWaalsContact O-CG1 3.32Å; T798-I802 WeakPolarHBondContact O-CG1 3.02Å; T798-I802 PolarHBondContact O-N 3.19Å |
| 799 | M | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 175 | -68.8 | -50.5 | -57.8 | 0 | 0 | 112 | L775 L776 L780 V795 L796 T801 I802 V803 I810 I817 L846 | L775-M799 HydrophobicContact CD2-SD 3.84Å; L776-M799 HydrophobicContact CD2-CE 4.14Å; L780-M799 HydrophobicContact CD1-CE 4.33Å; L780-M799 HydrophobicContact CD1-SD 4.35Å; L780-M799 HydrophobicContact CD2-CG 3.77Å; L780-M799 HydrophobicContact CD2-SD 4.04Å; V795-M799 WeakPolarHBondContact O-CG 3.48Å; V795-M799 PolarHBondContact O-N 3.39Å; L796-M799 PolarHBondContact O-N 3.31Å; M799-T801 VanDerWaalsContact C-N 3.3Å; M799-T801 PolarHBondContact O-N 3.45Å; M799-I802 PolarHBondContact O-N 3.22Å; M799-I802 HydrophobicContact SD-CD1 4.03Å; M799-V803 WeakPolarHBondContact O-CB 3.49Å; M799-V803 VanDerWaalsContact O-CG2 3.27Å; M799-V803 WeakPolarHBondContact O-CG2 3.45Å; M799-V803 PolarHBondContact O-N 3.49Å; M799-I810 HydrophobicContact CE-CD1 4.38Å; M799-I817 HydrophobicContact CE-CD1 3.43Å; M799-I817 VanDerWaalsContact CE-CD1 3.43Å; M799-I817 HydrophobicContact CE-CG1 3.78Å; M799-I817 HydrophobicContact CE-CG2 4.15Å; M799-L846 HydrophobicContact CB-CD1 3.75Å; M799-L846 HydrophobicContact CB-CD2 4.21Å |
| 800 | A | 98 | Very high | 96.8 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 3% | 0.033 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.3 | -43.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L796 S797 T798 V803 N804 L846 A849 | L796-A800 PolarHBondContact O-N 2.78Å; S797-A800 WeakPolarHBondContact O-CB 3.45Å; S797-A800 PolarHBondContact O-N 3.32Å; T798-A800 VanDerWaalsContact C-N 3.33Å; T798-A800 PolarHBondContact O-N 2.84Å; A800-V803 PolarHBondContact O-N 2.86Å; A800-N804 WeakPolarHBondContact O-CB 3.46Å; A800-N804 PolarHBondContact O-N 3.45Å; A800-N804 PolarHBondContact O-ND2 2.83Å; A800-L846 HydrophobicContact CB-CB 4.19Å; A800-A849 HydrophobicContact CB-CB 4.26Å |
| 801 | T | 97.7 | Very high | 96.9 | Very high | 49 Ų | 49 | 26.3 Ų | 26.3 | 30% | 0.301 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 176.9 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | S797 T798 M799 N804 K805 | S797-T801 PolarHBondContact O-N 3.25Å; S797-T801 PolarHBondContact O-OG1 3.03Å; T798-T801 WeakPolarHBondContact O-CB 3.4Å; T798-T801 PolarHBondContact O-N 3.17Å; M799-T801 VanDerWaalsContact C-N 3.3Å; M799-T801 PolarHBondContact O-N 3.45Å; T801-N804 PolarHBondContact O-N 3.2Å; T801-K805 WeakPolarHBondContact O-CB 3.31Å; T801-K805 PolarHBondContact O-N 2.91Å; T801-K805 VanDerWaalsContact O-N 3.1Å |
| 802 | I | 97.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.8 | -46.4 | 178 | -65.8 | 167.4 | 0 | 0 | 0 | 110.3 | I754 V758 V772 L775 T798 M799 N804 K805 L806 I810 | I754-I802 HydrophobicContact CG2-CD1 4.42Å; V758-I802 HydrophobicContact CB-CG1 4.35Å; V758-I802 HydrophobicContact CG1-CB 4.46Å; V758-I802 HydrophobicContact CG1-CG1 4.05Å; V758-I802 HydrophobicContact CG2-CG1 4.32Å; V772-I802 HydrophobicContact CG2-CG2 4.21Å; L775-I802 HydrophobicContact CD2-CD1 3.34Å; T798-I802 HydrophobicContact CG2-CD1 3.95Å; T798-I802 VanDerWaalsContact O-CG1 3.32Å; T798-I802 WeakPolarHBondContact O-CG1 3.02Å; T798-I802 PolarHBondContact O-N 3.19Å; M799-I802 PolarHBondContact O-N 3.22Å; M799-I802 HydrophobicContact SD-CD1 4.03Å; I802-N804 PolarHBondContact O-N 3.16Å; I802-K805 PolarHBondContact O-N 2.95Å; I802-K805 VanDerWaalsContact O-N 3.12Å; I802-L806 HydrophobicContact CG2-CD1 3.64Å; I802-L806 HydrophobicContact CG2-CG 4.13Å; I802-L806 WeakPolarHBondContact O-CB 3.41Å; I802-L806 WeakPolarHBondContact O-CG 3.35Å; I802-L806 PolarHBondContact O-N 3.18Å; I802-I810 HydrophobicContact CG2-CD1 3.62Å |
| 803 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | M799 A800 K805 L806 G807 I810 I814 L846 A849 Q853 | M799-V803 WeakPolarHBondContact O-CB 3.49Å; M799-V803 VanDerWaalsContact O-CG2 3.27Å; M799-V803 WeakPolarHBondContact O-CG2 3.45Å; M799-V803 PolarHBondContact O-N 3.49Å; A800-V803 PolarHBondContact O-N 2.86Å; V803-K805 PolarHBondContact O-N 3.42Å; V803-L806 PolarHBondContact O-N 3.42Å; V803-G807 PolarHBondContact O-N 2.88Å; V803-I810 HydrophobicContact CG2-CG2 4.24Å; V803-I814 HydrophobicContact CG1-CD1 4.34Å; V803-I814 HydrophobicContact CG2-CD1 3.82Å; V803-L846 HydrophobicContact CG2-CD1 4.17Å; V803-A849 HydrophobicContact CB-CB 4.02Å; V803-A849 HydrophobicContact CG1-CB 3.83Å; V803-Q853 HydrophobicContact CG1-CB 4.48Å |
| 804 | N | 97.6 | Very high | 96.7 | Very high | 85 Ų | 85 | 31.2 Ų | 31.2 | 46% | 0.455 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.3 | -31.8 | 175.8 | -80.3 | -33.2 | 0 | 0 | 0 | 113.3 | A800 T801 I802 A849 | A800-N804 WeakPolarHBondContact O-CB 3.46Å; A800-N804 PolarHBondContact O-N 3.45Å; A800-N804 PolarHBondContact O-ND2 2.83Å; T801-N804 PolarHBondContact O-N 3.2Å; I802-N804 PolarHBondContact O-N 3.16Å; N804-A849 WeakPolarHBondContact OD1-CA 3.26Å; N804-A849 WeakPolarHBondContact OD1-CB 3.5Å |
| 805 | K | 97 | Very high | 96.5 | Very high | 78 Ų | 78 | 32 Ų | 32 | 34% | 0.339 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -85.6 | -40.5 | -178 | -178.3 | 61.9 | 178.5 | -178 | 0 | 113.6 | V758 S761 T801 I802 V803 | V758-K805 HydrophobicContact CG1-CB 4Å; V758-K805 HydrophobicContact CG1-CG 3.93Å; V758-K805 WeakPolarHBondContact O-CG 3.11Å; S761-K805 WeakPolarHBondContact O-CE 3.5Å; S761-K805 PolarHBondContact O-NZ 3.33Å; T801-K805 WeakPolarHBondContact O-CB 3.31Å; T801-K805 PolarHBondContact O-N 2.91Å; T801-K805 VanDerWaalsContact O-N 3.1Å; I802-K805 PolarHBondContact O-N 2.95Å; I802-K805 VanDerWaalsContact O-N 3.12Å; V803-K805 PolarHBondContact O-N 3.42Å |
| 806 | L | 96.7 | Very high | 96.3 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -89.2 | -31.4 | -173.4 | -61.9 | -172.7 | 0 | 0 | 0 | 112.9 | P764 V767 V772 I802 V803 V808 H809 I810 | P764-L806 HydrophobicContact CB-CD2 3.76Å; V767-L806 HydrophobicContact CB-CD2 3.89Å; V767-L806 HydrophobicContact CG1-CD1 4.01Å; V767-L806 HydrophobicContact CG1-CD2 3.88Å; V767-L806 HydrophobicContact CG1-CG 4.45Å; V772-L806 HydrophobicContact CG2-CD1 3.66Å; I802-L806 HydrophobicContact CG2-CD1 3.64Å; I802-L806 HydrophobicContact CG2-CG 4.13Å; I802-L806 WeakPolarHBondContact O-CB 3.41Å; I802-L806 WeakPolarHBondContact O-CG 3.35Å; I802-L806 PolarHBondContact O-N 3.18Å; V803-L806 PolarHBondContact O-N 3.42Å; L806-V808 PolarHBondContact O-N 3.48Å; L806-V808 VanDerWaalsContact O-N 3.16Å; L806-H809 HydrophobicContact CB-CB 4.33Å; L806-H809 WeakPolarHBondContact O-CB 3.3Å; L806-H809 PolarHBondContact O-N 3.2Å; L806-H809 PolarHBondContact O-ND1 3.2Å; L806-H809 VanDerWaalsContact O-ND1 3.07Å; L806-I810 HydrophobicContact CB-CB 3.96Å; L806-I810 HydrophobicContact CB-CG2 3.85Å; L806-I810 HydrophobicContact CD1-CB 4.1Å; L806-I810 HydrophobicContact CD1-CD1 4.12Å |
| 807 | G | 95.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 7% | 0.072 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | 49.4 | -116.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V803 H809 I810 T811 C854 | V803-G807 PolarHBondContact O-N 2.88Å; G807-H809 PolarHBondContact O-N 3.03Å; G807-H809 VanDerWaalsContact O-N 3.08Å; G807-I810 WeakPolarHBondContact O-CG2 3.45Å; G807-I810 PolarHBondContact O-N 2.87Å; G807-I810 VanDerWaalsContact O-N 3.09Å; G807-T811 PolarHBondContact O-N 3.07Å; G807-T811 PolarHBondContact O-OG1 3Å; G807-C854 PolarHBondContact O-SG 2.95Å |
| 808 | V | 93.5 | Very high | 96 | Very high | 113 Ų | 113 | 37.2 Ų | 37.2 | 69% | 0.685 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -53.9 | -31.9 | -179.5 | -61.6 | 0 | 0 | 0 | 0 | 113.7 | L806 I810 T811 | L806-V808 PolarHBondContact O-N 3.48Å; L806-V808 VanDerWaalsContact O-N 3.16Å; V808-I810 PolarHBondContact O-N 3.07Å; V808-T811 WeakPolarHBondContact CA-OG1 3.47Å; V808-T811 WeakPolarHBondContact O-CB 3.3Å; V808-T811 PolarHBondContact O-N 3.28Å; V808-T811 PolarHBondContact O-OG1 3.34Å |
| 809 | H | 94.8 | Very high | 95.7 | Very high | 94 Ų | 94 | 41.6 Ų | 41.6 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -70.9 | -15.9 | -177.2 | -58.7 | 83.4 | 0 | 0 | 0 | 113.9 | P764 L806 G807 | P764-H809 HydrophobicContact CB-CB 4.44Å; L806-H809 HydrophobicContact CB-CB 4.33Å; L806-H809 WeakPolarHBondContact O-CB 3.3Å; L806-H809 PolarHBondContact O-N 3.2Å; L806-H809 PolarHBondContact O-ND1 3.2Å; L806-H809 VanDerWaalsContact O-ND1 3.07Å; G807-H809 PolarHBondContact O-N 3.03Å; G807-H809 VanDerWaalsContact O-N 3.08Å |
| 810 | I | 96.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -112.3 | -0.6 | 175.6 | -163.6 | 166.5 | 0 | 0 | 0 | 112.6 | V772 M799 I802 V803 L806 G807 V808 S812 E813 I814 I817 | V772-I810 HydrophobicContact CG1-CD1 3.93Å; V772-I810 HydrophobicContact CG1-CG1 4.44Å; V772-I810 HydrophobicContact CG2-CD1 4.21Å; M799-I810 HydrophobicContact CE-CD1 4.38Å; I802-I810 HydrophobicContact CG2-CD1 3.62Å; V803-I810 HydrophobicContact CG2-CG2 4.24Å; L806-I810 HydrophobicContact CB-CB 3.96Å; L806-I810 HydrophobicContact CB-CG2 3.85Å; L806-I810 HydrophobicContact CD1-CB 4.1Å; L806-I810 HydrophobicContact CD1-CD1 4.12Å; G807-I810 WeakPolarHBondContact O-CG2 3.45Å; G807-I810 PolarHBondContact O-N 2.87Å; G807-I810 VanDerWaalsContact O-N 3.09Å; V808-I810 PolarHBondContact O-N 3.07Å; I810-S812 PolarHBondContact O-N 2.66Å; I810-E813 HydrophobicContact CG1-CB 3.98Å; I810-E813 PolarHBondContact O-N 3.19Å; I810-I814 PolarHBondContact O-N 2.83Å; I810-I817 HydrophobicContact CD1-CD1 3.95Å; I810-I817 HydrophobicContact CG1-CD1 4.18Å |
| 811 | T | 95.8 | Very high | 95.5 | Very high | 24 Ų | 24 | 41.8 Ų | 41.8 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -57.9 | -36.7 | -175 | -63.5 | 0 | 0 | 0 | 0 | 112.4 | G807 V808 E813 I814 C854 P856 A857 | G807-T811 PolarHBondContact O-N 3.07Å; G807-T811 PolarHBondContact O-OG1 3Å; V808-T811 WeakPolarHBondContact CA-OG1 3.47Å; V808-T811 WeakPolarHBondContact O-CB 3.3Å; V808-T811 PolarHBondContact O-N 3.28Å; V808-T811 PolarHBondContact O-OG1 3.34Å; T811-E813 PolarHBondContact O-N 2.95Å; T811-I814 PolarHBondContact O-N 3.45Å; T811-C854 HydrophobicContact CG2-CB 4.34Å; T811-C854 PolarHBondContact OG1-SG 2.93Å; T811-C854 VanDerWaalsContact OG1-SG 3.39Å; T811-P856 HydrophobicContact CG2-CB 4.22Å; T811-A857 HydrophobicContact CG2-CB 4.04Å |
| 812 | S | 94.8 | Very high | 95.4 | Very high | 89 Ų | 89 | 40.1 Ų | 40.1 | 62% | 0.622 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -66.6 | -21 | 176.6 | 58.5 | 0 | 0 | 0 | 0 | 114.3 | I810 | I810-S812 PolarHBondContact O-N 2.66Š|
| 813 | E | 95.4 | Very high | 95.3 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 22% | 0.22 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -95.7 | -11.6 | -178.3 | -59.8 | -57.1 | 134.8 | 0 | 0 | 112.8 | L776 I810 T811 K816 I817 | L776-E813 HydrophobicContact CD1-CB 4.25Å; L776-E813 HydrophobicContact CD1-CG 4.44Å; I810-E813 HydrophobicContact CG1-CB 3.98Å; I810-E813 PolarHBondContact O-N 3.19Å; T811-E813 PolarHBondContact O-N 2.95Å; E813-K816 PolarHBondContact O-N 3.31Å; E813-K816 VanDerWaalsContact O-N 3.09Å; E813-K816 IonicContact OE1-NZ 2.79Å; E813-K816 PolarHBondContact OE1-NZ 3.34Å; E813-K816 WeakPolarHBondContact OE2-CD 3.44Å; E813-K816 WeakPolarHBondContact OE2-CE 3.19Å; E813-K816 IonicContact OE2-NZ 3.01Å; E813-K816 PolarHBondContact OE2-NZ 2.97Å; E813-I817 HydrophobicContact CB-CD1 4.4Å; E813-I817 WeakPolarHBondContact O-CG1 3.21Å; E813-I817 PolarHBondContact O-N 3.44Å |
| 814 | I | 95.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -52.7 | -44.4 | 178.6 | -65.3 | -66.5 | 0 | 0 | 0 | 113 | V803 I810 T811 K816 I817 F818 A850 C854 A857 | V803-I814 HydrophobicContact CG1-CD1 4.34Å; V803-I814 HydrophobicContact CG2-CD1 3.82Å; I810-I814 PolarHBondContact O-N 2.83Å; T811-I814 PolarHBondContact O-N 3.45Å; I814-K816 VanDerWaalsContact C-N 3.34Å; I814-K816 PolarHBondContact O-N 3.37Å; I814-I817 HydrophobicContact CD1-CD1 4.21Å; I814-I817 WeakPolarHBondContact O-CB 3.44Å; I814-I817 PolarHBondContact O-N 2.98Å; I814-F818 HydrophobicContact CG2-CD1 4.16Å; I814-F818 HydrophobicContact CG2-CE1 4.1Å; I814-F818 HydrophobicContact CG2-CG 4.41Å; I814-F818 HydrophobicContact CG2-CZ 4.27Å; I814-F818 PolarHBondContact O-N 2.8Å; I814-A850 HydrophobicContact CD1-CB 4.41Å; I814-C854 HydrophobicContact CD1-CB 4.16Å; I814-C854 HydrophobicContact CG1-CB 3.84Å; I814-A857 HydrophobicContact CB-CB 3.66Å; I814-A857 HydrophobicContact CG1-CB 4.11Å; I814-A857 HydrophobicContact CG2-CB 3.66Å |
| 815 | P | 93.4 | Very high | 95.2 | Very high | 42 Ų | 42 | 43 Ų | 43 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.4 | -46.2 | 176.4 | -26.8 | 36.5 | 0 | 0 | 0 | 112.7 | I817 F818 D819 | P815-I817 VanDerWaalsContact C-N 3.33Å; P815-I817 PolarHBondContact O-N 3.49Å; P815-F818 PolarHBondContact O-N 3.42Å; P815-D819 PolarHBondContact O-N 3.45Å |
| 816 | K | 92.4 | Very high | 95.1 | Very high | 118 Ų | 118 | 39.9 Ų | 39.9 | 51% | 0.513 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.7 | -36.5 | 178.7 | -59.4 | -174.5 | -160.5 | 146.7 | 0 | 112.3 | E813 I814 F818 A820 | E813-K816 PolarHBondContact O-N 3.31Å; E813-K816 VanDerWaalsContact O-N 3.09Å; E813-K816 IonicContact OE1-NZ 2.79Å; E813-K816 PolarHBondContact OE1-NZ 3.34Å; E813-K816 WeakPolarHBondContact OE2-CD 3.44Å; E813-K816 WeakPolarHBondContact OE2-CE 3.19Å; E813-K816 IonicContact OE2-NZ 3.01Å; E813-K816 PolarHBondContact OE2-NZ 2.97Å; I814-K816 VanDerWaalsContact C-N 3.34Å; I814-K816 PolarHBondContact O-N 3.37Å; K816-F818 VanDerWaalsContact C-N 3.35Å; K816-A820 PolarHBondContact O-N 2.97Å |
| 817 | I | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -47.8 | 175 | -65.4 | 163.3 | 0 | 0 | 0 | 109.3 | L776 L780 M799 I810 E813 I814 P815 A820 V821 L846 | L776-I817 HydrophobicContact CD2-CD1 4.25Å; L776-I817 HydrophobicContact CD2-CG1 3.59Å; L780-I817 HydrophobicContact CD1-CB 4.09Å; L780-I817 HydrophobicContact CD1-CG1 3.85Å; L780-I817 HydrophobicContact CD1-CG2 3.97Å; M799-I817 HydrophobicContact CE-CD1 3.43Å; M799-I817 VanDerWaalsContact CE-CD1 3.43Å; M799-I817 HydrophobicContact CE-CG1 3.78Å; M799-I817 HydrophobicContact CE-CG2 4.15Å; I810-I817 HydrophobicContact CD1-CD1 3.95Å; I810-I817 HydrophobicContact CG1-CD1 4.18Å; E813-I817 HydrophobicContact CB-CD1 4.4Å; E813-I817 WeakPolarHBondContact O-CG1 3.21Å; E813-I817 PolarHBondContact O-N 3.44Å; I814-I817 HydrophobicContact CD1-CD1 4.21Å; I814-I817 WeakPolarHBondContact O-CB 3.44Å; I814-I817 PolarHBondContact O-N 2.98Å; P815-I817 VanDerWaalsContact C-N 3.33Å; P815-I817 PolarHBondContact O-N 3.49Å; I817-A820 PolarHBondContact O-N 3.18Å; I817-V821 HydrophobicContact CG2-CG2 4.4Å; I817-V821 WeakPolarHBondContact O-CG2 3.3Å; I817-V821 PolarHBondContact O-N 3Å; I817-V821 VanDerWaalsContact O-N 3.11Å; I817-L846 HydrophobicContact CG2-CD2 4.41Å |
| 818 | F | 94.5 | Very high | 95.1 | Very high | 19 Ų | 19 | 43.7 Ų | 43.7 | 8% | 0.083 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.9 | -38.4 | -178.1 | -81.9 | 24.3 | 0 | 0 | 0 | 112 | I814 P815 K816 A820 V821 F822 L847 A850 F858 I869 | I814-F818 HydrophobicContact CG2-CD1 4.16Å; I814-F818 HydrophobicContact CG2-CE1 4.1Å; I814-F818 HydrophobicContact CG2-CG 4.41Å; I814-F818 HydrophobicContact CG2-CZ 4.27Å; I814-F818 PolarHBondContact O-N 2.8Å; P815-F818 PolarHBondContact O-N 3.42Å; K816-F818 VanDerWaalsContact C-N 3.35Å; F818-A820 PolarHBondContact O-N 3.45Å; F818-V821 PolarHBondContact O-N 3.34Å; F818-F822 HydrophobicContact CB-CB 4.03Å; F818-F822 AromaticContact CD2-CD2 3.87Å; F818-F822 HydrophobicContact CD2-CD2 3.87Å; F818-F822 HydrophobicContact CD2-CE2 4.47Å; F818-F822 HydrophobicContact CD2-CG 4.39Å; F818-F822 AromaticContact CE2-CD2 3.99Å; F818-F822 HydrophobicContact CE2-CD2 3.99Å; F818-F822 HydrophobicContact CE2-CE2 4.26Å; F818-F822 HydrophobicContact CG-CB 4.3Å; F818-F822 HydrophobicContact CG-CD2 4.21Å; F818-F822 HydrophobicContact CZ-CD2 4.45Å; F818-F822 WeakPolarHBondContact O-CA 3.45Å; F818-F822 WeakPolarHBondContact O-CB 3.23Å; F818-F822 PolarHBondContact O-N 2.91Å; F818-L847 HydrophobicContact CE2-CD1 4.3Å; F818-L847 HydrophobicContact CZ-CD1 4.07Å; F818-A850 HydrophobicContact CE1-CB 4.22Å; F818-A850 HydrophobicContact CZ-CB 3.87Å; F818-F858 AromaticContact CE2-CE1 3.66Å; F818-F858 HydrophobicContact CE2-CE1 3.66Å; F818-F858 HydrophobicContact CE2-CZ 4.42Å; F818-F858 AromaticContact CZ-CE1 3.91Å; F818-F858 HydrophobicContact CZ-CE1 3.91Å; F818-F858 HydrophobicContact CZ-CZ 4.41Å; F818-I869 HydrophobicContact CD2-CD1 4.08Å; F818-I869 HydrophobicContact CE2-CD1 3.76Å; F818-I869 HydrophobicContact CE2-CG1 4.29Å |
| 819 | D | 92 | Very high | 95.3 | Very high | 96 Ų | 96 | 38.3 Ų | 38.3 | 51% | 0.513 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -55.7 | -37.1 | 174.2 | -71.1 | -21.1 | 0 | 0 | 0 | 111.9 | Q784 P815 | Q784-D819 PolarHBondContact NE2-O 2.85Å; P815-D819 PolarHBondContact O-N 3.45Å |
| 820 | A | 95.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 5% | 0.05 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -78.4 | -46.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L780 Q784 K816 I817 F818 C824 | L780-A820 HydrophobicContact CB-CB 3.69Å; Q784-A820 VanDerWaalsContact CB-O 3.29Å; Q784-A820 WeakPolarHBondContact CB-O 3.47Å; Q784-A820 VanDerWaalsContact CG-O 3.3Å; Q784-A820 WeakPolarHBondContact CG-O 3.39Å; K816-A820 PolarHBondContact O-N 2.97Å; I817-A820 PolarHBondContact O-N 3.18Å; F818-A820 PolarHBondContact O-N 3.45Å; A820-C824 PolarHBondContact O-SG 3.39Å |
| 821 | V | 96.7 | Very high | 95 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -110.1 | -21.7 | -166.9 | -51.1 | 0 | 0 | 0 | 0 | 115 | L780 Y783 L796 I817 F818 T825 L846 | L780-V821 HydrophobicContact CB-CG1 4.49Å; L780-V821 HydrophobicContact CD2-CG1 3.96Å; Y783-V821 HydrophobicContact CD1-CB 4.26Å; Y783-V821 HydrophobicContact CD1-CG1 3.87Å; Y783-V821 HydrophobicContact CE1-CB 4.22Å; Y783-V821 HydrophobicContact CE1-CG1 4.29Å; Y783-V821 HydrophobicContact CG-CG1 4.44Å; L796-V821 HydrophobicContact CD2-CB 3.78Å; L796-V821 HydrophobicContact CD2-CG1 4.29Å; L796-V821 HydrophobicContact CD2-CG2 3.8Å; I817-V821 HydrophobicContact CG2-CG2 4.4Å; I817-V821 WeakPolarHBondContact O-CG2 3.3Å; I817-V821 PolarHBondContact O-N 3Å; I817-V821 VanDerWaalsContact O-N 3.11Å; F818-V821 PolarHBondContact O-N 3.34Å; V821-T825 WeakPolarHBondContact O-CB 3.2Å; V821-T825 PolarHBondContact O-N 2.73Å; V821-T825 PolarHBondContact O-OG1 3.46Å; V821-L846 HydrophobicContact CG2-CD2 3.83Å |
| 822 | F | 95.1 | Very high | 94.9 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 7% | 0.066 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.5 | -64.6 | -166.5 | -167.9 | -84.2 | 0 | 0 | 0 | 112.1 | F818 C824 T825 L826 F843 L847 L868 I869 | F818-F822 HydrophobicContact CB-CB 4.03Å; F818-F822 AromaticContact CD2-CD2 3.87Å; F818-F822 HydrophobicContact CD2-CD2 3.87Å; F818-F822 HydrophobicContact CD2-CE2 4.47Å; F818-F822 HydrophobicContact CD2-CG 4.39Å; F818-F822 AromaticContact CE2-CD2 3.99Å; F818-F822 HydrophobicContact CE2-CD2 3.99Å; F818-F822 HydrophobicContact CE2-CE2 4.26Å; F818-F822 HydrophobicContact CG-CB 4.3Å; F818-F822 HydrophobicContact CG-CD2 4.21Å; F818-F822 HydrophobicContact CZ-CD2 4.45Å; F818-F822 WeakPolarHBondContact O-CA 3.45Å; F818-F822 WeakPolarHBondContact O-CB 3.23Å; F818-F822 PolarHBondContact O-N 2.91Å; F822-C824 PolarHBondContact O-N 2.61Å; F822-T825 PolarHBondContact O-N 2.88Å; F822-L826 HydrophobicContact CE1-CD2 4.08Å; F822-L826 WeakPolarHBondContact O-CB 3.19Å; F822-L826 PolarHBondContact O-N 2.99Å; F822-F843 AromaticContact CD2-CE2 3.83Å; F822-F843 HydrophobicContact CD2-CE2 3.83Å; F822-F843 AromaticContact CD2-CZ 3.75Å; F822-F843 HydrophobicContact CD2-CZ 3.75Å; F822-F843 HydrophobicContact CE1-CZ 4.33Å; F822-F843 HydrophobicContact CE2-CE1 4.37Å; F822-F843 HydrophobicContact CE2-CE2 4.03Å; F822-F843 AromaticContact CE2-CZ 3.45Å; F822-F843 HydrophobicContact CE2-CZ 3.45Å; F822-F843 VanDerWaalsContact CE2-CZ 3.45Å; F822-F843 HydrophobicContact CG-CE2 4.22Å; F822-F843 HydrophobicContact CG-CZ 4.3Å; F822-F843 AromaticContact CZ-CZ 3.75Å; F822-F843 HydrophobicContact CZ-CZ 3.75Å; F822-L847 HydrophobicContact CE2-CD1 4.42Å; F822-L868 HydrophobicContact CD1-CD2 4.09Å; F822-L868 HydrophobicContact CE1-CD2 3.79Å; F822-L868 HydrophobicContact CE1-CG 3.89Å; F822-I869 HydrophobicContact CE1-CG1 4.36Å; F822-I869 HydrophobicContact CE2-CG1 3.82Å; F822-I869 HydrophobicContact CZ-CB 4.33Å; F822-I869 HydrophobicContact CZ-CG1 3.68Å |
| 823 | E | 94.4 | Very high | 94.7 | Very high | 128 Ų | 128 | 44.4 Ų | 44.4 | 60% | 0.598 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -64.8 | -41.9 | -174.8 | -173.3 | -179.7 | 168.3 | 0 | 0 | 112.1 | T825 L826 N827 | E823-T825 VanDerWaalsContact C-N 3.31Å; E823-T825 PolarHBondContact O-N 3.25Å; E823-L826 PolarHBondContact O-N 3.29Å; E823-N827 PolarHBondContact O-N 3.4Å; E823-N827 PolarHBondContact O-ND2 2.92Å |
| 824 | C | 96.5 | Very high | 94.4 | Very high | 19 Ų | 19 | 50 Ų | 50 | 13% | 0.128 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.9 | -32.3 | -176.6 | 77.3 | 0 | 0 | 0 | 0 | 112.5 | R791 A820 F822 M828 | R791-C824 PolarHBondContact NH1-O 2.95Å; A820-C824 PolarHBondContact O-SG 3.39Å; F822-C824 PolarHBondContact O-N 2.61Å; C824-M828 WeakPolarHBondContact O-CG 3.02Å |
| 825 | T | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -77.3 | -41.8 | 173.5 | -53.1 | 0 | 0 | 0 | 0 | 111 | Y783 L796 V821 F822 E823 N827 M828 I829 H839 F843 | Y783-T825 WeakPolarHBondContact CE1-OG1 3.38Å; Y783-T825 PolarHBondContact OH-OG1 3.25Å; Y783-T825 VanDerWaalsContact OH-OG1 3.07Å; L796-T825 HydrophobicContact CD1-CG2 3.93Å; V821-T825 WeakPolarHBondContact O-CB 3.2Å; V821-T825 PolarHBondContact O-N 2.73Å; V821-T825 PolarHBondContact O-OG1 3.46Å; F822-T825 PolarHBondContact O-N 2.88Å; E823-T825 VanDerWaalsContact C-N 3.31Å; E823-T825 PolarHBondContact O-N 3.25Å; T825-N827 PolarHBondContact O-N 2.86Å; T825-M828 WeakPolarHBondContact O-CA 3.35Å; T825-M828 VanDerWaalsContact O-CB 3.29Å; T825-M828 WeakPolarHBondContact O-CB 3.28Å; T825-M828 PolarHBondContact O-N 3.3Å; T825-I829 PolarHBondContact O-N 3.38Å; T825-H839 HydrophobicContact CG2-CB 4.3Å; T825-F843 HydrophobicContact CG2-CB 4.12Å; T825-F843 HydrophobicContact CG2-CD2 3.72Å; T825-F843 HydrophobicContact CG2-CG 4.18Å |
| 826 | L | 95.5 | Very high | 94.4 | Very high | 13 Ų | 13 | 55.6 Ų | 55.6 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.4 | -41.6 | 179.4 | -170.5 | 63 | 0 | 0 | 0 | 111.2 | F822 E823 M828 I829 N830 F843 L868 | F822-L826 HydrophobicContact CE1-CD2 4.08Å; F822-L826 WeakPolarHBondContact O-CB 3.19Å; F822-L826 PolarHBondContact O-N 2.99Å; E823-L826 PolarHBondContact O-N 3.29Å; L826-M828 PolarHBondContact O-N 3.27Å; L826-I829 HydrophobicContact CD1-CG1 4.37Å; L826-I829 PolarHBondContact O-N 3.5Å; L826-N830 HydrophobicContact CG-CB 4.49Å; L826-N830 WeakPolarHBondContact O-CB 3.42Å; L826-N830 PolarHBondContact O-N 3.19Å; L826-N830 PolarHBondContact O-ND2 3.38Å; L826-N830 PolarHBondContact O-OD1 3.4Å; L826-F843 HydrophobicContact CD1-CZ 4.49Å; L826-L868 HydrophobicContact CD2-CD1 3.72Å; L826-L868 HydrophobicContact CD2-CD2 4.1Å; L826-L868 HydrophobicContact CD2-CG 3.8Å |
| 827 | N | 95.9 | Very high | 94.5 | Very high | 81 Ų | 81 | 53 Ų | 53 | 43% | 0.433 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.3 | -16.4 | 175.3 | -74.6 | -34.3 | 0 | 0 | 0 | 115 | E823 T825 N830 | E823-N827 PolarHBondContact O-N 3.4Å; E823-N827 PolarHBondContact O-ND2 2.92Å; T825-N827 PolarHBondContact O-N 2.86Å; N827-N830 PolarHBondContact O-OD1 3.19Å |
| 828 | M | 96.8 | Very high | 94.5 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.044 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -84.1 | -30.7 | 172.7 | -61.3 | 170.6 | 57.2 | 0 | 0 | 111.7 | P788 R791 C824 T825 L826 F836 | P788-M828 HydrophobicContact CB-CE 4.07Å; P788-M828 HydrophobicContact CB-CG 4.16Å; P788-M828 HydrophobicContact CB-SD 4.19Å; P788-M828 WeakPolarHBondContact O-CE 2.95Å; R791-M828 VanDerWaalsContact CD-SD 3.59Å; R791-M828 PolarHBondContact NH1-SD 2.98Å; C824-M828 WeakPolarHBondContact O-CG 3.02Å; T825-M828 WeakPolarHBondContact O-CA 3.35Å; T825-M828 VanDerWaalsContact O-CB 3.29Å; T825-M828 WeakPolarHBondContact O-CB 3.28Å; T825-M828 PolarHBondContact O-N 3.3Å; L826-M828 PolarHBondContact O-N 3.27Å; M828-F836 HydrophobicContact CB-CD2 4.12Å; M828-F836 HydrophobicContact CB-CE2 4.46Å; M828-F836 HydrophobicContact CB-CG 4.46Å; M828-F836 HydrophobicContact CE-CB 4.5Å; M828-F836 HydrophobicContact CE-CD1 3.39Å; M828-F836 HydrophobicContact CE-CD2 4.22Å; M828-F836 HydrophobicContact CE-CE1 3.51Å; M828-F836 HydrophobicContact CE-CE2 4.33Å; M828-F836 HydrophobicContact CE-CG 3.78Å; M828-F836 HydrophobicContact CE-CZ 4Å |
| 829 | I | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -112.2 | -1.1 | -168.1 | 67.3 | 172.9 | 0 | 0 | 0 | 114.1 | T825 L826 F836 H839 R840 F843 F844 W875 | T825-I829 PolarHBondContact O-N 3.38Å; L826-I829 HydrophobicContact CD1-CG1 4.37Å; L826-I829 PolarHBondContact O-N 3.5Å; I829-F836 HydrophobicContact CG2-CB 4.25Å; I829-H839 HydrophobicContact CG2-CB 4.25Å; I829-R840 HydrophobicContact CB-CG 3.81Å; I829-R840 HydrophobicContact CD1-CG 4.34Å; I829-R840 HydrophobicContact CG2-CG 3.57Å; I829-R840 PolarHBondContact O-NH1 2.94Å; I829-R840 PolarHBondContact O-NH2 3.44Å; I829-F843 HydrophobicContact CD1-CB 4.46Å; I829-F843 HydrophobicContact CD1-CD1 3.96Å; I829-F843 HydrophobicContact CD1-CE1 4.44Å; I829-F843 HydrophobicContact CD1-CG 4.22Å; I829-F844 HydrophobicContact CD1-CE2 4.21Å; I829-F844 HydrophobicContact CD1-CZ 4.34Å; I829-W875 WeakPolarHBondContact O-CZ2 3.48Å; I829-W875 PolarHBondContact O-NE1 3.39Å |
| 830 | N | 93.8 | Very high | 94.9 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 33% | 0.326 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -96.6 | 3 | -174.7 | 67.8 | -1.9 | 0 | 0 | 0 | 115.1 | L826 N827 | L826-N830 HydrophobicContact CG-CB 4.49Å; L826-N830 WeakPolarHBondContact O-CB 3.42Å; L826-N830 PolarHBondContact O-N 3.19Å; L826-N830 PolarHBondContact O-ND2 3.38Å; L826-N830 PolarHBondContact O-OD1 3.4Å; N827-N830 PolarHBondContact O-OD1 3.19Å |
| 831 | K | 91.9 | Very high | 94.9 | Very high | 167 Ų | 167 | 52.2 Ų | 52.2 | 73% | 0.726 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -93.4 | -30.6 | -176.9 | -61.7 | -179.4 | -174.4 | 171.3 | 0 | 113.7 | ||
| 832 | D | 92.7 | Very high | 95 | Very high | 46 Ų | 46 | 53.9 Ų | 53.9 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | trans | -154.5 | -174.9 | -177.2 | 60.6 | 75.6 | 0 | 0 | 0 | 109.4 | E834 E835 R840 W875 | D832-E834 PolarHBondContact OD1-N 3.43Å; D832-E835 PolarHBondContact OD1-N 3.41Å; D832-R840 PolarHBondContact O-NH1 3.32Å; D832-R840 PolarHBondContact O-NH2 2.98Å; D832-R840 IonicContact OD1-NH2 3.64Å; D832-R840 PolarHBondContact OD1-NH2 2.89Å; D832-W875 WeakPolarHBondContact O-CZ2 3.27Å | ||
| 833 | F | 90.6 | Very high | 95.1 | Very high | 62 Ų | 62 | 53.3 Ų | 53.3 | 27% | 0.272 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -111.8 | 16.2 | 179.4 | -66.3 | -50.6 | 0 | 0 | 0 | 114.5 | W875 K878 H879 | F833-W875 AromaticContact CD1-CE2 3.94Å; F833-W875 HydrophobicContact CD1-CH2 4.13Å; F833-W875 AromaticContact CD1-CZ2 3.67Å; F833-W875 HydrophobicContact CD1-CZ2 3.67Å; F833-W875 AromaticContact CE1-CD2 3.84Å; F833-W875 HydrophobicContact CE1-CD2 3.84Å; F833-W875 AromaticContact CE1-CE2 3.55Å; F833-W875 AromaticContact CE1-CE3 3.99Å; F833-W875 HydrophobicContact CE1-CE3 3.99Å; F833-W875 AromaticContact CE1-CH2 3.64Å; F833-W875 HydrophobicContact CE1-CH2 3.64Å; F833-W875 AromaticContact CE1-CZ2 3.47Å; F833-W875 HydrophobicContact CE1-CZ2 3.47Å; F833-W875 VanDerWaalsContact CE1-CZ2 3.47Å; F833-W875 AromaticContact CE1-CZ3 3.89Å; F833-W875 HydrophobicContact CE1-CZ3 3.89Å; F833-W875 HydrophobicContact CZ-CE3 4.26Å; F833-W875 AromaticContact CZ-CH2 3.91Å; F833-W875 HydrophobicContact CZ-CH2 3.91Å; F833-W875 HydrophobicContact CZ-CZ2 4.23Å; F833-W875 AromaticContact CZ-CZ3 3.93Å; F833-W875 HydrophobicContact CZ-CZ3 3.93Å; F833-K878 HydrophobicContact CZ-CB 4.21Å; F833-H879 VanDerWaalsContact CA-CE1 3.47Å; F833-H879 WeakPolarHBondContact CA-CE1 3.49Å; F833-H879 AromaticContact CD1-CE1 3.71Å; F833-H879 AromaticContact CD1-ND1 2.98Å; F833-H879 WeakPolarHBondContact CD1-ND1 3.28Å; F833-H879 AromaticContact CE1-ND1 3.77Å; F833-H879 AromaticContact CG-ND1 3.57Å; F833-H879 PolarHBondContact O-CE1 3.18Å; F833-H879 PolarHBondContact O-NE2 3.34Å |
| 834 | E | 90.3 | Very high | 95.3 | Very high | 164 Ų | 164 | 47.3 Ų | 47.3 | 77% | 0.766 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -126.1 | -42.7 | -169.2 | -62.3 | -178.9 | -177.5 | 0 | 0 | 113 | D832 | D832-E834 PolarHBondContact OD1-N 3.43Š|
| 835 | E | 93 | Very high | 95.4 | Very high | 112 Ų | 112 | 50.6 Ų | 50.6 | 52% | 0.523 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -69.7 | 148.1 | -177 | -66.9 | -169.1 | 173.6 | 0 | 0 | 111.8 | D832 R840 | D832-E835 PolarHBondContact OD1-N 3.41Å; E835-R840 PolarHBondContact O-NE 2.89Å; E835-R840 PolarHBondContact O-NH2 2.93Å |
| 836 | F | 94.9 | Very high | 95.4 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | trans | 53.7 | 56 | 178.6 | -56.7 | -81 | 0 | 0 | 0 | 115.2 | P788 M828 I829 E838 H839 R840 | P788-F836 HydrophobicContact CB-CZ 4.29Å; M828-F836 HydrophobicContact CB-CD2 4.12Å; M828-F836 HydrophobicContact CB-CE2 4.46Å; M828-F836 HydrophobicContact CB-CG 4.46Å; M828-F836 HydrophobicContact CE-CB 4.5Å; M828-F836 HydrophobicContact CE-CD1 3.39Å; M828-F836 HydrophobicContact CE-CD2 4.22Å; M828-F836 HydrophobicContact CE-CE1 3.51Å; M828-F836 HydrophobicContact CE-CE2 4.33Å; M828-F836 HydrophobicContact CE-CG 3.78Å; M828-F836 HydrophobicContact CE-CZ 4Å; I829-F836 HydrophobicContact CG2-CB 4.25Å; F836-E838 PolarHBondContact O-N 3.22Å; F836-H839 HydrophobicContact CB-CB 3.99Å; F836-H839 AromaticContact CD1-CE1 3.94Å; F836-H839 AromaticContact CD1-ND1 3.86Å; F836-H839 PolarHBondContact O-N 2.97Å; F836-R840 WeakPolarHBondContact O-CG 3.36Å; F836-R840 PolarHBondContact O-N 3.33Å; F836-R840 VanDerWaalsContact O-N 3.08Å | ||
| 837 | P | 94.8 | Very high | 95.5 | Very high | 64 Ų | 64 | 50.3 Ų | 50.3 | 42% | 0.416 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.3 | -35.3 | -174.3 | 25.5 | -35.2 | 0 | 0 | 0 | 114.1 | R840 T841 M881 | P837-R840 PolarHBondContact O-N 3.14Å; P837-T841 PolarHBondContact O-N 3.38Å; P837-T841 VanDerWaalsContact O-N 3.12Å; P837-T841 PolarHBondContact O-OG1 2.81Å; P837-M881 HydrophobicContact CB-CE 3.93Å; P837-M881 HydrophobicContact CB-SD 4.02Å |
| 838 | E | 94.8 | Very high | 95.6 | Very high | 72 Ų | 72 | 48.8 Ų | 48.8 | 34% | 0.336 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66 | -43 | 175.3 | -70.5 | -177.5 | -148.9 | 0 | 0 | 111.4 | R748 P793 F836 R840 T841 H842 | R748-E838 IonicContact NH2-OE1 3.47Å; R748-E838 IonicContact NH2-OE2 2.79Å; R748-E838 PolarHBondContact NH2-OE2 3.48Å; P793-E838 HydrophobicContact CB-CB 3.74Å; P793-E838 HydrophobicContact CG-CB 3.68Å; P793-E838 HydrophobicContact CG-CG 4.49Å; P793-E838 WeakPolarHBondContact CG-OE2 3.24Å; F836-E838 PolarHBondContact O-N 3.22Å; E838-R840 PolarHBondContact O-N 3.47Å; E838-T841 PolarHBondContact O-N 3.25Å; E838-H842 WeakPolarHBondContact O-CB 3.49Å; E838-H842 PolarHBondContact O-N 3.31Å |
| 839 | H | 97.6 | Very high | 95.7 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 6% | 0.06 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 177.1 | -61.5 | 67.6 | 0 | 0 | 0 | 111.1 | Y783 R791 T825 I829 F836 T841 F843 | Y783-H839 PolarHBondContact OH-CD2 2.72Å; R791-H839 PolarHBondContact O-CE1 3.35Å; R791-H839 PolarHBondContact O-NE2 3.3Å; T825-H839 HydrophobicContact CG2-CB 4.3Å; I829-H839 HydrophobicContact CG2-CB 4.25Å; F836-H839 HydrophobicContact CB-CB 3.99Å; F836-H839 AromaticContact CD1-CE1 3.94Å; F836-H839 AromaticContact CD1-ND1 3.86Å; F836-H839 PolarHBondContact O-N 2.97Å; H839-T841 PolarHBondContact O-N 3.02Å; H839-F843 WeakPolarHBondContact O-CA 3.42Å; H839-F843 WeakPolarHBondContact O-CB 3.49Å; H839-F843 PolarHBondContact O-N 3.03Å |
| 840 | R | 97.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.5 | -54.5 | 174.7 | -67 | 174 | -172 | -86.6 | -4.9 | 111 | I829 D832 E835 F836 P837 E838 H842 F843 F844 H879 V884 | I829-R840 HydrophobicContact CB-CG 3.81Å; I829-R840 HydrophobicContact CD1-CG 4.34Å; I829-R840 HydrophobicContact CG2-CG 3.57Å; I829-R840 PolarHBondContact O-NH1 2.94Å; I829-R840 PolarHBondContact O-NH2 3.44Å; D832-R840 PolarHBondContact O-NH1 3.32Å; D832-R840 PolarHBondContact O-NH2 2.98Å; D832-R840 IonicContact OD1-NH2 3.64Å; D832-R840 PolarHBondContact OD1-NH2 2.89Å; E835-R840 PolarHBondContact O-NE 2.89Å; E835-R840 PolarHBondContact O-NH2 2.93Å; F836-R840 WeakPolarHBondContact O-CG 3.36Å; F836-R840 PolarHBondContact O-N 3.33Å; F836-R840 VanDerWaalsContact O-N 3.08Å; P837-R840 PolarHBondContact O-N 3.14Å; E838-R840 PolarHBondContact O-N 3.47Å; R840-H842 PolarHBondContact O-N 2.92Å; R840-F843 PolarHBondContact O-N 3.38Å; R840-F844 WeakPolarHBondContact O-CD2 3.39Å; R840-F844 PolarHBondContact O-N 3.16Å; R840-F844 VanDerWaalsContact O-N 3.16Å; R840-H879 PolarHBondContact NH1-CE1 2.59Å; R840-H879 VanDerWaalsContact NH1-CE1 3.34Å; R840-V884 HydrophobicContact CB-CG2 4.1Å |
| 841 | T | 96.3 | Very high | 95.9 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 12% | 0.117 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59 | -52.1 | -176.7 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | P837 E838 H839 F844 Y845 N883 | P837-T841 PolarHBondContact O-N 3.38Å; P837-T841 VanDerWaalsContact O-N 3.12Å; P837-T841 PolarHBondContact O-OG1 2.81Å; E838-T841 PolarHBondContact O-N 3.25Å; H839-T841 PolarHBondContact O-N 3.02Å; T841-F844 PolarHBondContact O-N 3.25Å; T841-Y845 HydrophobicContact CG2-CD2 4.22Å; T841-Y845 HydrophobicContact CG2-CE1 4.1Å; T841-Y845 HydrophobicContact CG2-CE2 3.51Å; T841-Y845 VanDerWaalsContact CG2-CZ 3.43Å; T841-Y845 WeakPolarHBondContact CG2-OH 3.2Å; T841-Y845 WeakPolarHBondContact O-CD1 3.44Å; T841-Y845 VanDerWaalsContact O-CG 3.31Å; T841-Y845 PolarHBondContact O-N 3.31Å; T841-Y845 VanDerWaalsContact O-N 3.07Å; T841-N883 PolarHBondContact OG1-ND2 2.84Å |
| 842 | H | 98 | Very high | 96.1 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 17% | 0.167 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -74.8 | -29.5 | -175.9 | -62.5 | 167.9 | 0 | 0 | 0 | 113.8 | P793 L796 E838 R840 Y845 L846 | P793-H842 PolarHBondContact O-ND1 3.03Å; L796-H842 HydrophobicContact CB-CB 3.69Å; L796-H842 HydrophobicContact CD1-CB 4.41Å; E838-H842 WeakPolarHBondContact O-CB 3.49Å; E838-H842 PolarHBondContact O-N 3.31Å; R840-H842 PolarHBondContact O-N 2.92Å; H842-Y845 AromaticContact CD2-CD2 3.91Å; H842-Y845 PolarHBondContact O-N 3.07Å; H842-L846 PolarHBondContact O-N 3.36Å |
| 843 | F | 98.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.9 | -48 | 172.3 | 175.9 | -95.5 | 0 | 0 | 0 | 110.7 | L796 F822 T825 L826 I829 H839 R840 L846 L847 | L796-F843 HydrophobicContact CD1-CB 4.01Å; F822-F843 AromaticContact CD2-CE2 3.83Å; F822-F843 HydrophobicContact CD2-CE2 3.83Å; F822-F843 AromaticContact CD2-CZ 3.75Å; F822-F843 HydrophobicContact CD2-CZ 3.75Å; F822-F843 HydrophobicContact CE1-CZ 4.33Å; F822-F843 HydrophobicContact CE2-CE1 4.37Å; F822-F843 HydrophobicContact CE2-CE2 4.03Å; F822-F843 AromaticContact CE2-CZ 3.45Å; F822-F843 HydrophobicContact CE2-CZ 3.45Å; F822-F843 VanDerWaalsContact CE2-CZ 3.45Å; F822-F843 HydrophobicContact CG-CE2 4.22Å; F822-F843 HydrophobicContact CG-CZ 4.3Å; F822-F843 AromaticContact CZ-CZ 3.75Å; F822-F843 HydrophobicContact CZ-CZ 3.75Å; T825-F843 HydrophobicContact CG2-CB 4.12Å; T825-F843 HydrophobicContact CG2-CD2 3.72Å; T825-F843 HydrophobicContact CG2-CG 4.18Å; L826-F843 HydrophobicContact CD1-CZ 4.49Å; I829-F843 HydrophobicContact CD1-CB 4.46Å; I829-F843 HydrophobicContact CD1-CD1 3.96Å; I829-F843 HydrophobicContact CD1-CE1 4.44Å; I829-F843 HydrophobicContact CD1-CG 4.22Å; H839-F843 WeakPolarHBondContact O-CA 3.42Å; H839-F843 WeakPolarHBondContact O-CB 3.49Å; H839-F843 PolarHBondContact O-N 3.03Å; R840-F843 PolarHBondContact O-N 3.38Å; F843-L846 PolarHBondContact O-N 2.96Å; F843-L847 PolarHBondContact O-N 3.22Å |
| 844 | F | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.4 | -28 | 178.9 | -67.9 | -59.2 | 0 | 0 | 0 | 112.9 | I829 R840 T841 L847 Q848 S872 A876 V884 T887 I891 | I829-F844 HydrophobicContact CD1-CE2 4.21Å; I829-F844 HydrophobicContact CD1-CZ 4.34Å; R840-F844 WeakPolarHBondContact O-CD2 3.39Å; R840-F844 PolarHBondContact O-N 3.16Å; R840-F844 VanDerWaalsContact O-N 3.16Å; T841-F844 PolarHBondContact O-N 3.25Å; F844-L847 HydrophobicContact CD1-CD2 4.21Å; F844-L847 HydrophobicContact CE1-CD2 4.42Å; F844-L847 PolarHBondContact O-N 2.91Å; F844-Q848 VanDerWaalsContact O-CB 3.25Å; F844-Q848 WeakPolarHBondContact O-CB 3.48Å; F844-Q848 PolarHBondContact O-N 2.85Å; F844-S872 WeakPolarHBondContact CE1-O 3.34Å; F844-S872 WeakPolarHBondContact CZ-O 3.35Å; F844-A876 HydrophobicContact CD1-CB 3.74Å; F844-A876 HydrophobicContact CD2-CB 3.99Å; F844-A876 HydrophobicContact CE1-CB 3.49Å; F844-A876 VanDerWaalsContact CE1-CB 3.49Å; F844-A876 HydrophobicContact CE2-CB 3.73Å; F844-A876 HydrophobicContact CG-CB 4Å; F844-A876 HydrophobicContact CZ-CB 3.48Å; F844-A876 VanDerWaalsContact CZ-CB 3.48Å; F844-V884 HydrophobicContact CD2-CG1 3.56Å; F844-V884 HydrophobicContact CE2-CG1 3.73Å; F844-T887 HydrophobicContact CB-CG2 4.05Å; F844-I891 HydrophobicContact CB-CD1 4.26Å; F844-I891 HydrophobicContact CD1-CD1 4.28Å; F844-I891 WeakPolarHBondContact O-CD1 3.44Å |
| 845 | Y | 98.1 | Very high | 96.8 | Very high | 89 Ų | 89 | 32.2 Ų | 32.2 | 35% | 0.349 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.4 | -41.2 | 168.2 | -66.7 | -14.5 | 0 | 0 | 0 | 112.7 | T841 H842 Q848 A849 T887 | T841-Y845 HydrophobicContact CG2-CD2 4.22Å; T841-Y845 HydrophobicContact CG2-CE1 4.1Å; T841-Y845 HydrophobicContact CG2-CE2 3.51Å; T841-Y845 VanDerWaalsContact CG2-CZ 3.43Å; T841-Y845 WeakPolarHBondContact CG2-OH 3.2Å; T841-Y845 WeakPolarHBondContact O-CD1 3.44Å; T841-Y845 VanDerWaalsContact O-CG 3.31Å; T841-Y845 PolarHBondContact O-N 3.31Å; T841-Y845 VanDerWaalsContact O-N 3.07Å; H842-Y845 AromaticContact CD2-CD2 3.91Å; H842-Y845 PolarHBondContact O-N 3.07Å; Y845-Q848 PolarHBondContact O-N 2.94Å; Y845-A849 WeakPolarHBondContact O-CB 3.31Å; Y845-A849 PolarHBondContact O-N 3.41Å; Y845-T887 HydrophobicContact CD1-CG2 4.19Å; Y845-T887 HydrophobicContact CE1-CG2 4.48Å |
| 846 | L | 98.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | 174.4 | 174.8 | 58.9 | 0 | 0 | 0 | 111.1 | L796 M799 A800 V803 I817 V821 H842 F843 Q848 A849 A850 | L796-L846 HydrophobicContact CD2-CD2 4.16Å; M799-L846 HydrophobicContact CB-CD1 3.75Å; M799-L846 HydrophobicContact CB-CD2 4.21Å; A800-L846 HydrophobicContact CB-CB 4.19Å; V803-L846 HydrophobicContact CG2-CD1 4.17Å; I817-L846 HydrophobicContact CG2-CD2 4.41Å; V821-L846 HydrophobicContact CG2-CD2 3.83Å; H842-L846 PolarHBondContact O-N 3.36Å; F843-L846 PolarHBondContact O-N 2.96Å; L846-Q848 VanDerWaalsContact C-N 3.31Å; L846-Q848 PolarHBondContact O-N 3.44Å; L846-A849 PolarHBondContact O-N 3.25Å; L846-A850 WeakPolarHBondContact O-CB 3.48Å; L846-A850 PolarHBondContact O-N 3.22Å |
| 847 | L | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.9 | -38.8 | 178.6 | -175.6 | 56.9 | 0 | 0 | 0 | 111.8 | F818 F822 F843 F844 A850 T851 F858 I869 S872 I873 I891 | F818-L847 HydrophobicContact CE2-CD1 4.3Å; F818-L847 HydrophobicContact CZ-CD1 4.07Å; F822-L847 HydrophobicContact CE2-CD1 4.42Å; F843-L847 PolarHBondContact O-N 3.22Å; F844-L847 HydrophobicContact CD1-CD2 4.21Å; F844-L847 HydrophobicContact CE1-CD2 4.42Å; F844-L847 PolarHBondContact O-N 2.91Å; L847-A850 PolarHBondContact O-N 3.3Å; L847-T851 WeakPolarHBondContact O-CB 3.38Å; L847-T851 PolarHBondContact O-N 2.87Å; L847-T851 PolarHBondContact O-OG1 3.48Å; L847-F858 HydrophobicContact CD1-CZ 3.9Å; L847-I869 HydrophobicContact CD1-CG2 3.79Å; L847-I869 HydrophobicContact CD2-CG2 4.38Å; L847-S872 WeakPolarHBondContact CD2-OG 3.37Å; L847-I873 HydrophobicContact CD2-CD1 4.41Å; L847-I873 HydrophobicContact CD2-CG1 3.72Å; L847-I891 HydrophobicContact CB-CD1 4.29Å; L847-I891 HydrophobicContact CD2-CD1 4.41Å; L847-I891 HydrophobicContact CG-CD1 4.29Å; L847-I891 HydrophobicContact CG-CG2 4.43Å |
| 848 | Q | 98.2 | Very high | 96.9 | Very high | 49 Ų | 49 | 25.7 Ų | 25.7 | 23% | 0.229 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 173.7 | -173.2 | 179.7 | 44.1 | 0 | 0 | 112.3 | F844 Y845 L846 T851 S852 T887 I891 | F844-Q848 VanDerWaalsContact O-CB 3.25Å; F844-Q848 WeakPolarHBondContact O-CB 3.48Å; F844-Q848 PolarHBondContact O-N 2.85Å; Y845-Q848 PolarHBondContact O-N 2.94Å; L846-Q848 VanDerWaalsContact C-N 3.31Å; L846-Q848 PolarHBondContact O-N 3.44Å; Q848-T851 PolarHBondContact O-N 3.29Å; Q848-S852 WeakPolarHBondContact O-CB 3.38Å; Q848-S852 PolarHBondContact O-N 3.37Å; Q848-S852 PolarHBondContact O-OG 3.29Å; Q848-T887 HydrophobicContact CB-CG2 4.36Å; Q848-I891 HydrophobicContact CB-CD1 4Å; Q848-I891 HydrophobicContact CB-CG1 3.63Å; Q848-I891 HydrophobicContact CG-CG1 3.99Å |
| 849 | A | 97.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 2% | 0.017 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.2 | -47 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A800 V803 N804 Y845 L846 T851 S852 Q853 | A800-A849 HydrophobicContact CB-CB 4.26Å; V803-A849 HydrophobicContact CB-CB 4.02Å; V803-A849 HydrophobicContact CG1-CB 3.83Å; N804-A849 WeakPolarHBondContact OD1-CA 3.26Å; N804-A849 WeakPolarHBondContact OD1-CB 3.5Å; Y845-A849 WeakPolarHBondContact O-CB 3.31Å; Y845-A849 PolarHBondContact O-N 3.41Å; L846-A849 PolarHBondContact O-N 3.25Å; A849-T851 PolarHBondContact O-N 2.81Å; A849-S852 PolarHBondContact O-N 3.43Å; A849-Q853 WeakPolarHBondContact O-CB 3.21Å; A849-Q853 PolarHBondContact O-N 3.35Å |
| 850 | A | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | I814 F818 L846 L847 S852 C854 F855 F858 | I814-A850 HydrophobicContact CD1-CB 4.41Å; F818-A850 HydrophobicContact CE1-CB 4.22Å; F818-A850 HydrophobicContact CZ-CB 3.87Å; L846-A850 WeakPolarHBondContact O-CB 3.48Å; L846-A850 PolarHBondContact O-N 3.22Å; L847-A850 PolarHBondContact O-N 3.3Å; A850-S852 VanDerWaalsContact C-N 3.35Å; A850-S852 PolarHBondContact O-N 2.85Å; A850-C854 CarbonylContact O-C 3.57Å; A850-C854 VanDerWaalsContact O-CA 3.27Å; A850-C854 WeakPolarHBondContact O-CA 3.34Å; A850-C854 WeakPolarHBondContact O-CB 3.3Å; A850-C854 PolarHBondContact O-N 2.95Å; A850-F855 PolarHBondContact O-N 3.26Å; A850-F858 HydrophobicContact CB-CE1 4.2Å; A850-F858 HydrophobicContact CB-CZ 3.94Å |
| 851 | T | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | 176.6 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | L847 Q848 A849 F858 I891 T894 L895 N898 | L847-T851 WeakPolarHBondContact O-CB 3.38Å; L847-T851 PolarHBondContact O-N 2.87Å; L847-T851 PolarHBondContact O-OG1 3.48Å; Q848-T851 PolarHBondContact O-N 3.29Å; A849-T851 PolarHBondContact O-N 2.81Å; T851-F858 HydrophobicContact CG2-CE2 4.19Å; T851-F858 WeakPolarHBondContact OG1-CE2 3.44Å; T851-I891 HydrophobicContact CG2-CG2 4.19Å; T851-T894 HydrophobicContact CG2-CG2 4.32Å; T851-L895 HydrophobicContact CG2-CB 4.03Å; T851-L895 HydrophobicContact CG2-CD1 4.32Å; T851-N898 PolarHBondContact O-ND2 3.39Å |
| 852 | S | 95.9 | Very high | 95.7 | Very high | 48 Ų | 48 | 31.6 Ų | 31.6 | 34% | 0.336 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -79.7 | -33.8 | -172.9 | -52.2 | 0 | 0 | 0 | 0 | 113.2 | Q848 A849 A850 | Q848-S852 WeakPolarHBondContact O-CB 3.38Å; Q848-S852 PolarHBondContact O-N 3.37Å; Q848-S852 PolarHBondContact O-OG 3.29Å; A849-S852 PolarHBondContact O-N 3.43Å; A850-S852 VanDerWaalsContact C-N 3.35Å; A850-S852 PolarHBondContact O-N 2.85Å |
| 853 | Q | 96.8 | Very high | 95.4 | Very high | 91 Ų | 91 | 34.9 Ų | 34.9 | 43% | 0.425 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -114.4 | -18.2 | -170.3 | -57.3 | -63.2 | -30.3 | 0 | 0 | 114.2 | V803 A849 | V803-Q853 HydrophobicContact CG1-CB 4.48Å; A849-Q853 WeakPolarHBondContact O-CB 3.21Å; A849-Q853 PolarHBondContact O-N 3.35Å |
| 854 | C | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -134.9 | 30 | -171 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | G807 T811 I814 A850 P856 A857 | G807-C854 PolarHBondContact O-SG 2.95Å; T811-C854 HydrophobicContact CG2-CB 4.34Å; T811-C854 PolarHBondContact OG1-SG 2.93Å; T811-C854 VanDerWaalsContact OG1-SG 3.39Å; I814-C854 HydrophobicContact CD1-CB 4.16Å; I814-C854 HydrophobicContact CG1-CB 3.84Å; A850-C854 CarbonylContact O-C 3.57Å; A850-C854 VanDerWaalsContact O-CA 3.27Å; A850-C854 WeakPolarHBondContact O-CA 3.34Å; A850-C854 WeakPolarHBondContact O-CB 3.3Å; A850-C854 PolarHBondContact O-N 2.95Å; C854-P856 VanDerWaalsContact C-N 3.27Å; C854-P856 VanDerWaalsContact O-N 3.13Å; C854-A857 VanDerWaalsContact O-CB 3.28Å; C854-A857 WeakPolarHBondContact O-CB 3.41Å; C854-A857 PolarHBondContact O-N 2.7Å | ||
| 855 | F | 95.9 | Very high | 94.7 | Very high | 20 Ų | 20 | 42.8 Ų | 42.8 | 9% | 0.088 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -36.8 | -179.3 | -177.7 | -109.9 | 0 | 0 | 0 | 115.1 | A850 A857 F858 L859 L895 N898 V899 E902 | A850-F855 PolarHBondContact O-N 3.26Å; F855-A857 PolarHBondContact O-N 3.33Å; F855-F858 HydrophobicContact CD2-CB 4.45Å; F855-F858 AromaticContact CD2-CD2 3.83Å; F855-F858 HydrophobicContact CD2-CD2 3.83Å; F855-F858 HydrophobicContact CE2-CB 4.49Å; F855-F858 HydrophobicContact CE2-CD2 4.22Å; F855-F858 WeakPolarHBondContact O-CB 3.42Å; F855-F858 PolarHBondContact O-N 2.94Å; F855-L859 HydrophobicContact CD1-CD1 4.44Å; F855-L859 HydrophobicContact CE1-CD1 4.1Å; F855-L859 HydrophobicContact CE1-CD2 4.11Å; F855-L859 HydrophobicContact CE1-CG 4.17Å; F855-L859 HydrophobicContact CZ-CD2 4.09Å; F855-L859 HydrophobicContact CZ-CG 4.49Å; F855-L895 HydrophobicContact CD2-CD1 4.23Å; F855-L895 HydrophobicContact CE2-CD1 3.66Å; F855-N898 HydrophobicContact CB-CB 4.32Å; F855-N898 HydrophobicContact CD1-CB 3.72Å; F855-N898 HydrophobicContact CD2-CB 3.72Å; F855-N898 HydrophobicContact CE1-CB 3.87Å; F855-N898 HydrophobicContact CE2-CB 3.9Å; F855-N898 HydrophobicContact CG-CB 3.63Å; F855-N898 HydrophobicContact CZ-CB 3.96Å; F855-V899 HydrophobicContact CE2-CG2 4.15Å; F855-V899 HydrophobicContact CZ-CB 4.48Å; F855-V899 HydrophobicContact CZ-CG2 3.71Å; F855-E902 HydrophobicContact CE1-CB 4.44Å |
| 856 | P | 95 | Very high | 94.5 | Very high | 81 Ų | 81 | 39.6 Ų | 39.6 | 53% | 0.526 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.5 | -25.7 | 176.1 | -27.2 | 36.2 | 0 | 0 | 0 | 114.5 | T811 C854 F858 L859 A860 | T811-P856 HydrophobicContact CG2-CB 4.22Å; C854-P856 VanDerWaalsContact C-N 3.27Å; C854-P856 VanDerWaalsContact O-N 3.13Å; P856-F858 VanDerWaalsContact C-N 3.26Å; P856-F858 PolarHBondContact O-N 2.79Å; P856-L859 PolarHBondContact O-N 3.1Å; P856-A860 PolarHBondContact O-N 3.45Å |
| 857 | A | 94.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.4 | -32.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | T811 I814 C854 F855 L859 A860 I861 | T811-A857 HydrophobicContact CG2-CB 4.04Å; I814-A857 HydrophobicContact CB-CB 3.66Å; I814-A857 HydrophobicContact CG1-CB 4.11Å; I814-A857 HydrophobicContact CG2-CB 3.66Å; C854-A857 VanDerWaalsContact O-CB 3.28Å; C854-A857 WeakPolarHBondContact O-CB 3.41Å; C854-A857 PolarHBondContact O-N 2.7Å; F855-A857 PolarHBondContact O-N 3.33Å; A857-L859 VanDerWaalsContact C-N 3.29Å; A857-L859 PolarHBondContact O-N 3.37Å; A857-A860 PolarHBondContact O-N 3.17Å; A857-I861 PolarHBondContact O-N 2.96Å |
| 858 | F | 93.3 | Very high | 94.1 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 2% | 0.022 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.9 | -24.2 | 177.6 | -63.1 | -15.6 | 0 | 0 | 0 | 113.1 | F818 L847 A850 T851 F855 P856 A860 I861 F866 I869 L895 | F818-F858 AromaticContact CE2-CE1 3.66Å; F818-F858 HydrophobicContact CE2-CE1 3.66Å; F818-F858 HydrophobicContact CE2-CZ 4.42Å; F818-F858 AromaticContact CZ-CE1 3.91Å; F818-F858 HydrophobicContact CZ-CE1 3.91Å; F818-F858 HydrophobicContact CZ-CZ 4.41Å; L847-F858 HydrophobicContact CD1-CZ 3.9Å; A850-F858 HydrophobicContact CB-CE1 4.2Å; A850-F858 HydrophobicContact CB-CZ 3.94Å; T851-F858 HydrophobicContact CG2-CE2 4.19Å; T851-F858 WeakPolarHBondContact OG1-CE2 3.44Å; F855-F858 HydrophobicContact CD2-CB 4.45Å; F855-F858 AromaticContact CD2-CD2 3.83Å; F855-F858 HydrophobicContact CD2-CD2 3.83Å; F855-F858 HydrophobicContact CE2-CB 4.49Å; F855-F858 HydrophobicContact CE2-CD2 4.22Å; F855-F858 WeakPolarHBondContact O-CB 3.42Å; F855-F858 PolarHBondContact O-N 2.94Å; P856-F858 VanDerWaalsContact C-N 3.26Å; P856-F858 PolarHBondContact O-N 2.79Å; F858-A860 VanDerWaalsContact C-N 3.32Å; F858-I861 HydrophobicContact CD1-CD1 4.42Å; F858-I861 WeakPolarHBondContact O-CG1 3.36Å; F858-F866 HydrophobicContact CB-CD2 4.06Å; F858-F866 HydrophobicContact CB-CE2 4.05Å; F858-I869 HydrophobicContact CD1-CD1 4.06Å; F858-I869 HydrophobicContact CE1-CD1 4.08Å; F858-L895 HydrophobicContact CD2-CD1 4.33Å |
| 859 | L | 90.4 | Very high | 94 | Very high | 73 Ų | 73 | 44.2 Ų | 44.2 | 38% | 0.382 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -78.5 | -21 | 172.8 | -55.6 | 175.8 | 0 | 0 | 0 | 111.9 | F855 P856 A857 E902 A905 | F855-L859 HydrophobicContact CD1-CD1 4.44Å; F855-L859 HydrophobicContact CE1-CD1 4.1Å; F855-L859 HydrophobicContact CE1-CD2 4.11Å; F855-L859 HydrophobicContact CE1-CG 4.17Å; F855-L859 HydrophobicContact CZ-CD2 4.09Å; F855-L859 HydrophobicContact CZ-CG 4.49Å; P856-L859 PolarHBondContact O-N 3.1Å; A857-L859 VanDerWaalsContact C-N 3.29Å; A857-L859 PolarHBondContact O-N 3.37Å; L859-E902 HydrophobicContact CD1-CG 3.8Å; L859-A905 HydrophobicContact CD2-CB 3.86Å |
| 860 | A | 89.4 | Confident | 93.9 | Very high | 82 Ų | 82 | 44.1 Ų | 44.1 | 68% | 0.678 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -91.2 | -16.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P856 A857 F858 | P856-A860 PolarHBondContact O-N 3.45Å; A857-A860 PolarHBondContact O-N 3.17Å; F858-A860 VanDerWaalsContact C-N 3.32Å |
| 861 | I | 90.9 | Very high | 93.9 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -83.1 | 162.3 | 177.9 | 57.7 | 173.1 | 0 | 0 | 0 | 112.1 | A857 F858 Q865 F866 I869 | A857-I861 PolarHBondContact O-N 2.96Å; F858-I861 HydrophobicContact CD1-CD1 4.42Å; F858-I861 WeakPolarHBondContact O-CG1 3.36Å; I861-Q865 HydrophobicContact CB-CB 4.43Å; I861-Q865 HydrophobicContact CD1-CB 4.24Å; I861-F866 HydrophobicContact CD1-CB 4.15Å; I861-F866 HydrophobicContact CG1-CB 4.44Å; I861-I869 HydrophobicContact CD1-CD1 3.36Å |
| 862 | A | 91.8 | Very high | 93.9 | Very high | 50 Ų | 50 | 46.8 Ų | 46.8 | 41% | 0.413 | 28% | 0.282 | S | S | . | . | trans | -65 | 144.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A864 Q865 F866 | A862-A864 PolarHBondContact O-N 3.5Å; A862-A864 VanDerWaalsContact O-N 3.09Å; A862-Q865 HydrophobicContact CB-CG 4.47Å; A862-Q865 WeakPolarHBondContact O-CA 3.27Å; A862-Q865 WeakPolarHBondContact O-CB 3.25Å; A862-Q865 PolarHBondContact O-N 3.19Å; A862-F866 PolarHBondContact O-N 3.13Å | ||
| 863 | P | 91.2 | Very high | 94 | Very high | 104 Ų | 104 | 44.5 Ų | 44.5 | 68% | 0.675 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -54.5 | -33.8 | 179.9 | -28.9 | 35.2 | 0 | 0 | 0 | 114.4 | F866 K867 | P863-F866 PolarHBondContact O-N 3.49Å; P863-K867 PolarHBondContact O-N 3.45Å |
| 864 | A | 91.1 | Very high | 94.1 | Very high | 82 Ų | 82 | 40.5 Ų | 40.5 | 68% | 0.678 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -66 | -36.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A862 L868 | A862-A864 PolarHBondContact O-N 3.5Å; A862-A864 VanDerWaalsContact O-N 3.09Å; A864-L868 PolarHBondContact O-N 3.39Å |
| 865 | Q | 90.9 | Very high | 94 | Very high | 90 Ų | 90 | 43.4 Ų | 43.4 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -71.8 | -39.5 | 174.7 | -69.4 | -179.5 | -25.6 | 0 | 0 | 111 | I861 A862 K867 L868 I869 | I861-Q865 HydrophobicContact CB-CB 4.43Å; I861-Q865 HydrophobicContact CD1-CB 4.24Å; A862-Q865 HydrophobicContact CB-CG 4.47Å; A862-Q865 WeakPolarHBondContact O-CA 3.27Å; A862-Q865 WeakPolarHBondContact O-CB 3.25Å; A862-Q865 PolarHBondContact O-N 3.19Å; Q865-K867 VanDerWaalsContact C-N 3.3Å; Q865-K867 PolarHBondContact O-N 3.41Å; Q865-L868 WeakPolarHBondContact O-CB 3.47Å; Q865-L868 PolarHBondContact O-N 3.31Å; Q865-L868 VanDerWaalsContact O-N 3.14Å; Q865-I869 PolarHBondContact O-N 2.91Å |
| 866 | F | 93.4 | Very high | 94.1 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 10% | 0.096 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 173.6 | -176.2 | -90.2 | 0 | 0 | 0 | 111.8 | F858 I861 A862 P863 L868 I869 L870 L895 F909 Y913 | F858-F866 HydrophobicContact CB-CD2 4.06Å; F858-F866 HydrophobicContact CB-CE2 4.05Å; I861-F866 HydrophobicContact CD1-CB 4.15Å; I861-F866 HydrophobicContact CG1-CB 4.44Å; A862-F866 PolarHBondContact O-N 3.13Å; P863-F866 PolarHBondContact O-N 3.49Å; F866-L868 VanDerWaalsContact C-N 3.33Å; F866-L868 PolarHBondContact O-N 3.29Å; F866-I869 WeakPolarHBondContact O-CB 3.25Å; F866-I869 PolarHBondContact O-N 3.27Å; F866-L870 PolarHBondContact O-N 3.01Å; F866-L895 HydrophobicContact CE2-CD1 4.46Å; F866-L895 HydrophobicContact CZ-CD1 4.41Å; F866-F909 AromaticContact CE1-CD2 3.72Å; F866-F909 HydrophobicContact CE1-CD2 3.72Å; F866-F909 AromaticContact CE1-CE2 3.64Å; F866-F909 HydrophobicContact CE1-CE2 3.64Å; F866-F909 AromaticContact CZ-CD2 3.81Å; F866-F909 HydrophobicContact CZ-CD2 3.81Å; F866-F909 AromaticContact CZ-CE2 3.65Å; F866-F909 HydrophobicContact CZ-CE2 3.65Å; F866-Y913 AromaticContact CD1-CE2 3.88Å; F866-Y913 HydrophobicContact CD1-CE2 3.88Å; F866-Y913 HydrophobicContact CE1-CD2 4.22Å; F866-Y913 AromaticContact CE1-CE2 3.78Å; F866-Y913 HydrophobicContact CE1-CE2 3.78Å |
| 867 | K | 94.1 | Very high | 94.2 | Very high | 83 Ų | 83 | 38.7 Ų | 38.7 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.6 | -45.3 | 173.1 | 174.9 | 164.3 | 173.9 | 49 | 0 | 111.9 | P863 Q865 I869 L870 D871 Y913 | P863-K867 PolarHBondContact O-N 3.45Å; Q865-K867 VanDerWaalsContact C-N 3.3Å; Q865-K867 PolarHBondContact O-N 3.41Å; K867-I869 VanDerWaalsContact C-N 3.26Å; K867-I869 PolarHBondContact O-N 3.41Å; K867-L870 PolarHBondContact O-N 3.36Å; K867-L870 VanDerWaalsContact O-N 3.15Å; K867-D871 WeakPolarHBondContact CE-OD2 3.45Å; K867-D871 VanDerWaalsContact NZ-CG 3.32Å; K867-D871 IonicContact NZ-OD1 2.75Å; K867-D871 PolarHBondContact NZ-OD1 3.2Å; K867-D871 IonicContact NZ-OD2 3.56Å; K867-D871 PolarHBondContact NZ-OD2 2.91Å; K867-D871 WeakPolarHBondContact O-CB 3.38Å; K867-D871 VanDerWaalsContact O-CG 3.23Å; K867-D871 PolarHBondContact O-N 3.28Å; K867-Y913 HydrophobicContact CB-CE1 4.49Å |
| 868 | L | 94.3 | Very high | 94.3 | Very high | 65 Ų | 65 | 41.3 Ų | 41.3 | 34% | 0.34 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.2 | -35.6 | 178.6 | -168.2 | 69.5 | 0 | 0 | 0 | 112.1 | F822 L826 A864 Q865 F866 S872 | F822-L868 HydrophobicContact CD1-CD2 4.09Å; F822-L868 HydrophobicContact CE1-CD2 3.79Å; F822-L868 HydrophobicContact CE1-CG 3.89Å; L826-L868 HydrophobicContact CD2-CD1 3.72Å; L826-L868 HydrophobicContact CD2-CD2 4.1Å; L826-L868 HydrophobicContact CD2-CG 3.8Å; A864-L868 PolarHBondContact O-N 3.39Å; Q865-L868 WeakPolarHBondContact O-CB 3.47Å; Q865-L868 PolarHBondContact O-N 3.31Å; Q865-L868 VanDerWaalsContact O-N 3.14Å; F866-L868 VanDerWaalsContact C-N 3.33Å; F866-L868 PolarHBondContact O-N 3.29Å; L868-S872 WeakPolarHBondContact O-CB 3.48Å; L868-S872 PolarHBondContact O-N 2.94Å |
| 869 | I | 95.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62 | -50.7 | 172 | -68.9 | 167 | 0 | 0 | 0 | 110.7 | F818 F822 L847 F858 I861 Q865 F866 K867 D871 S872 I873 | F818-I869 HydrophobicContact CD2-CD1 4.08Å; F818-I869 HydrophobicContact CE2-CD1 3.76Å; F818-I869 HydrophobicContact CE2-CG1 4.29Å; F822-I869 HydrophobicContact CE1-CG1 4.36Å; F822-I869 HydrophobicContact CE2-CG1 3.82Å; F822-I869 HydrophobicContact CZ-CB 4.33Å; F822-I869 HydrophobicContact CZ-CG1 3.68Å; L847-I869 HydrophobicContact CD1-CG2 3.79Å; L847-I869 HydrophobicContact CD2-CG2 4.38Å; F858-I869 HydrophobicContact CD1-CD1 4.06Å; F858-I869 HydrophobicContact CE1-CD1 4.08Å; I861-I869 HydrophobicContact CD1-CD1 3.36Å; Q865-I869 PolarHBondContact O-N 2.91Å; F866-I869 WeakPolarHBondContact O-CB 3.25Å; F866-I869 PolarHBondContact O-N 3.27Å; K867-I869 VanDerWaalsContact C-N 3.26Å; K867-I869 PolarHBondContact O-N 3.41Å; I869-D871 VanDerWaalsContact C-N 3.34Å; I869-D871 PolarHBondContact O-N 3.46Å; I869-S872 WeakPolarHBondContact O-CB 3.48Å; I869-S872 PolarHBondContact O-N 3.42Å; I869-S872 VanDerWaalsContact O-N 3.13Å; I869-S872 PolarHBondContact O-OG 3.36Å; I869-I873 HydrophobicContact CG2-CD1 4.1Å; I869-I873 WeakPolarHBondContact O-CG1 3.48Å; I869-I873 PolarHBondContact O-N 3.29Å |
| 870 | L | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | 178.4 | -174 | 65.3 | 0 | 0 | 0 | 111.9 | F866 K867 S872 I873 I874 L892 L895 Y913 I917 | F866-L870 PolarHBondContact O-N 3.01Å; K867-L870 PolarHBondContact O-N 3.36Å; K867-L870 VanDerWaalsContact O-N 3.15Å; L870-S872 VanDerWaalsContact C-N 3.26Å; L870-S872 PolarHBondContact O-N 3.35Å; L870-I873 WeakPolarHBondContact O-CB 3.38Å; L870-I873 PolarHBondContact O-N 2.74Å; L870-I873 VanDerWaalsContact O-N 3.08Å; L870-I874 HydrophobicContact CG-CD1 4.13Å; L870-I874 WeakPolarHBondContact O-CG1 3.17Å; L870-I874 PolarHBondContact O-N 3.45Å; L870-L892 HydrophobicContact CD1-CD1 4.37Å; L870-L895 HydrophobicContact CD1-CD2 3.93Å; L870-Y913 HydrophobicContact CD2-CD1 3.33Å; L870-Y913 HydrophobicContact CD2-CD2 4.22Å; L870-Y913 HydrophobicContact CD2-CE1 3.92Å; L870-Y913 HydrophobicContact CD2-CG 3.5Å; L870-I917 HydrophobicContact CD1-CD1 4.13Å; L870-I917 HydrophobicContact CD1-CG1 4.31Å; L870-I917 HydrophobicContact CD2-CD1 4.3Å; L870-I917 HydrophobicContact CD2-CG1 4.31Å |
| 871 | D | 96.9 | Very high | 94.2 | Very high | 55 Ų | 55 | 40.8 Ų | 40.8 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.6 | -36.6 | 176.7 | -67.5 | -13.2 | 0 | 0 | 0 | 111.2 | K867 I869 I874 W875 | K867-D871 WeakPolarHBondContact CE-OD2 3.45Å; K867-D871 VanDerWaalsContact NZ-CG 3.32Å; K867-D871 IonicContact NZ-OD1 2.75Å; K867-D871 PolarHBondContact NZ-OD1 3.2Å; K867-D871 IonicContact NZ-OD2 3.56Å; K867-D871 PolarHBondContact NZ-OD2 2.91Å; K867-D871 WeakPolarHBondContact O-CB 3.38Å; K867-D871 VanDerWaalsContact O-CG 3.23Å; K867-D871 PolarHBondContact O-N 3.28Å; I869-D871 VanDerWaalsContact C-N 3.34Å; I869-D871 PolarHBondContact O-N 3.46Å; D871-I874 PolarHBondContact O-N 3.41Å; D871-W875 WeakPolarHBondContact O-CB 3.47Å; D871-W875 PolarHBondContact O-N 2.99Å |
| 872 | S | 97.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.6 | -34.8 | 174.5 | 80.3 | 0 | 0 | 0 | 0 | 113 | F844 L847 L868 I869 L870 I874 W875 A876 | F844-S872 WeakPolarHBondContact CE1-O 3.34Å; F844-S872 WeakPolarHBondContact CZ-O 3.35Å; L847-S872 WeakPolarHBondContact CD2-OG 3.37Å; L868-S872 WeakPolarHBondContact O-CB 3.48Å; L868-S872 PolarHBondContact O-N 2.94Å; I869-S872 WeakPolarHBondContact O-CB 3.48Å; I869-S872 PolarHBondContact O-N 3.42Å; I869-S872 VanDerWaalsContact O-N 3.13Å; I869-S872 PolarHBondContact O-OG 3.36Å; L870-S872 VanDerWaalsContact C-N 3.26Å; L870-S872 PolarHBondContact O-N 3.35Å; S872-I874 VanDerWaalsContact C-N 3.35Å; S872-W875 WeakPolarHBondContact O-CB 3.21Å; S872-W875 PolarHBondContact O-N 2.8Å; S872-A876 PolarHBondContact O-N 3.17Å |
| 873 | I | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66 | -42.6 | 174.2 | -64.2 | 165.2 | 0 | 0 | 0 | 109.7 | L847 I869 L870 W875 A876 F877 G888 I891 L892 L895 | L847-I873 HydrophobicContact CD2-CD1 4.41Å; L847-I873 HydrophobicContact CD2-CG1 3.72Å; I869-I873 HydrophobicContact CG2-CD1 4.1Å; I869-I873 WeakPolarHBondContact O-CG1 3.48Å; I869-I873 PolarHBondContact O-N 3.29Å; L870-I873 WeakPolarHBondContact O-CB 3.38Å; L870-I873 PolarHBondContact O-N 2.74Å; L870-I873 VanDerWaalsContact O-N 3.08Å; I873-W875 VanDerWaalsContact C-N 3.32Å; I873-W875 PolarHBondContact O-N 2.79Å; I873-A876 VanDerWaalsContact O-CB 3.31Å; I873-A876 WeakPolarHBondContact O-CB 3.4Å; I873-A876 PolarHBondContact O-N 2.98Å; I873-A876 VanDerWaalsContact O-N 3.15Å; I873-F877 HydrophobicContact CG2-CD1 4.31Å; I873-F877 WeakPolarHBondContact O-CD1 3.44Å; I873-F877 PolarHBondContact O-N 2.69Å; I873-F877 VanDerWaalsContact O-N 3.13Å; I873-G888 WeakPolarHBondContact CG2-O 3.47Å; I873-I891 HydrophobicContact CD1-CG2 3.56Å; I873-I891 HydrophobicContact CG1-CG2 3.73Å; I873-I891 HydrophobicContact CG2-CB 4.4Å; I873-I891 HydrophobicContact CG2-CG2 4.34Å; I873-L892 HydrophobicContact CG2-CB 3.83Å; I873-L892 HydrophobicContact CG2-CD1 4.49Å; I873-L895 HydrophobicContact CD1-CD2 3.92Å |
| 874 | I | 97.7 | Very high | 94.3 | Very high | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.036 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 174 | -66.1 | 157.2 | 0 | 0 | 0 | 111.5 | L870 D871 S872 A876 F877 K878 H920 | L870-I874 HydrophobicContact CG-CD1 4.13Å; L870-I874 WeakPolarHBondContact O-CG1 3.17Å; L870-I874 PolarHBondContact O-N 3.45Å; D871-I874 PolarHBondContact O-N 3.41Å; S872-I874 VanDerWaalsContact C-N 3.35Å; I874-A876 VanDerWaalsContact C-N 3.29Å; I874-A876 PolarHBondContact O-N 3.29Å; I874-F877 HydrophobicContact CB-CE1 4Å; I874-F877 HydrophobicContact CB-CZ 3.9Å; I874-F877 HydrophobicContact CG1-CE1 3.71Å; I874-F877 HydrophobicContact CG1-CZ 3.68Å; I874-F877 HydrophobicContact CG2-CE1 4.44Å; I874-F877 HydrophobicContact CG2-CE2 4.21Å; I874-F877 HydrophobicContact CG2-CZ 3.85Å; I874-F877 PolarHBondContact O-N 3.15Å; I874-K878 HydrophobicContact CG2-CD 4.1Å; I874-K878 WeakPolarHBondContact O-CG 3.38Å; I874-K878 PolarHBondContact O-N 2.95Å; I874-H920 HydrophobicContact CG1-CB 4.42Å; I874-H920 HydrophobicContact CG2-CB 3.9Å |
| 875 | W | 96.5 | Very high | 94.5 | Very high | 61 Ų | 61 | 39.5 Ų | 39.5 | 23% | 0.231 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59 | -40.8 | 174 | -175.3 | -106.7 | 0 | 0 | 0 | 112.4 | I829 D832 F833 D871 S872 I873 K878 | I829-W875 WeakPolarHBondContact O-CZ2 3.48Å; I829-W875 PolarHBondContact O-NE1 3.39Å; D832-W875 WeakPolarHBondContact O-CZ2 3.27Å; F833-W875 AromaticContact CD1-CE2 3.94Å; F833-W875 HydrophobicContact CD1-CH2 4.13Å; F833-W875 AromaticContact CD1-CZ2 3.67Å; F833-W875 HydrophobicContact CD1-CZ2 3.67Å; F833-W875 AromaticContact CE1-CD2 3.84Å; F833-W875 HydrophobicContact CE1-CD2 3.84Å; F833-W875 AromaticContact CE1-CE2 3.55Å; F833-W875 AromaticContact CE1-CE3 3.99Å; F833-W875 HydrophobicContact CE1-CE3 3.99Å; F833-W875 AromaticContact CE1-CH2 3.64Å; F833-W875 HydrophobicContact CE1-CH2 3.64Å; F833-W875 AromaticContact CE1-CZ2 3.47Å; F833-W875 HydrophobicContact CE1-CZ2 3.47Å; F833-W875 VanDerWaalsContact CE1-CZ2 3.47Å; F833-W875 AromaticContact CE1-CZ3 3.89Å; F833-W875 HydrophobicContact CE1-CZ3 3.89Å; F833-W875 HydrophobicContact CZ-CE3 4.26Å; F833-W875 AromaticContact CZ-CH2 3.91Å; F833-W875 HydrophobicContact CZ-CH2 3.91Å; F833-W875 HydrophobicContact CZ-CZ2 4.23Å; F833-W875 AromaticContact CZ-CZ3 3.93Å; F833-W875 HydrophobicContact CZ-CZ3 3.93Å; D871-W875 WeakPolarHBondContact O-CB 3.47Å; D871-W875 PolarHBondContact O-N 2.99Å; S872-W875 WeakPolarHBondContact O-CB 3.21Å; S872-W875 PolarHBondContact O-N 2.8Å; I873-W875 VanDerWaalsContact C-N 3.32Å; I873-W875 PolarHBondContact O-N 2.79Å; W875-K878 PolarHBondContact O-N 2.84Å |
| 876 | A | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -52.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F844 S872 I873 I874 K878 H879 V884 A885 | F844-A876 HydrophobicContact CD1-CB 3.74Å; F844-A876 HydrophobicContact CD2-CB 3.99Å; F844-A876 HydrophobicContact CE1-CB 3.49Å; F844-A876 VanDerWaalsContact CE1-CB 3.49Å; F844-A876 HydrophobicContact CE2-CB 3.73Å; F844-A876 HydrophobicContact CG-CB 4Å; F844-A876 HydrophobicContact CZ-CB 3.48Å; F844-A876 VanDerWaalsContact CZ-CB 3.48Å; S872-A876 PolarHBondContact O-N 3.17Å; I873-A876 VanDerWaalsContact O-CB 3.31Å; I873-A876 WeakPolarHBondContact O-CB 3.4Å; I873-A876 PolarHBondContact O-N 2.98Å; I873-A876 VanDerWaalsContact O-N 3.15Å; I874-A876 VanDerWaalsContact C-N 3.29Å; I874-A876 PolarHBondContact O-N 3.29Å; A876-K878 PolarHBondContact O-N 3.38Å; A876-H879 WeakPolarHBondContact O-CB 3.26Å; A876-H879 PolarHBondContact O-N 3.29Å; A876-V884 HydrophobicContact CB-CG1 4.23Å; A876-A885 VanDerWaalsContact O-CA 3.28Å; A876-A885 WeakPolarHBondContact O-CA 3.45Å |
| 877 | F | 97 | Very high | 94.8 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.1 | -13.2 | -175.9 | 67.5 | -117.2 | 0 | 0 | 0 | 114.1 | I873 I874 H879 L889 L892 H920 I921 V924 | I873-F877 HydrophobicContact CG2-CD1 4.31Å; I873-F877 WeakPolarHBondContact O-CD1 3.44Å; I873-F877 PolarHBondContact O-N 2.69Å; I873-F877 VanDerWaalsContact O-N 3.13Å; I874-F877 HydrophobicContact CB-CE1 4Å; I874-F877 HydrophobicContact CB-CZ 3.9Å; I874-F877 HydrophobicContact CG1-CE1 3.71Å; I874-F877 HydrophobicContact CG1-CZ 3.68Å; I874-F877 HydrophobicContact CG2-CE1 4.44Å; I874-F877 HydrophobicContact CG2-CE2 4.21Å; I874-F877 HydrophobicContact CG2-CZ 3.85Å; I874-F877 PolarHBondContact O-N 3.15Å; F877-H879 VanDerWaalsContact C-N 3.26Å; F877-L889 HydrophobicContact CB-CD2 3.58Å; F877-L889 HydrophobicContact CB-CG 3.71Å; F877-L889 HydrophobicContact CD1-CD2 4.36Å; F877-L889 HydrophobicContact CD2-CD2 4.48Å; F877-L889 HydrophobicContact CG-CD2 3.95Å; F877-L892 HydrophobicContact CD1-CD2 4.23Å; F877-L892 HydrophobicContact CE1-CD2 3.76Å; F877-H920 HydrophobicContact CE2-CB 4.16Å; F877-H920 HydrophobicContact CZ-CB 3.87Å; F877-I921 HydrophobicContact CZ-CG1 4.44Å; F877-V924 HydrophobicContact CD2-CB 4.49Å; F877-V924 HydrophobicContact CD2-CG2 3.87Å; F877-V924 HydrophobicContact CE2-CG2 3.96Å |
| 878 | K | 96.3 | Very high | 94.9 | Very high | 59 Ų | 59 | 32.6 Ų | 32.6 | 26% | 0.257 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -6.5 | 169.4 | -76.5 | -179.2 | 171.2 | -173 | 0 | 113.8 | F833 I874 W875 A876 H920 V924 H930 | F833-K878 HydrophobicContact CZ-CB 4.21Å; I874-K878 HydrophobicContact CG2-CD 4.1Å; I874-K878 WeakPolarHBondContact O-CG 3.38Å; I874-K878 PolarHBondContact O-N 2.95Å; W875-K878 PolarHBondContact O-N 2.84Å; A876-K878 PolarHBondContact O-N 3.38Å; K878-H920 PolarHBondContact NZ-CE1 2.86Å; K878-H920 PolarHBondContact NZ-ND1 3.47Å; K878-H920 VanDerWaalsContact NZ-ND1 3.13Å; K878-V924 HydrophobicContact CB-CG2 4.46Å; K878-V924 HydrophobicContact CG-CG2 3.57Å; K878-H930 PolarHBondContact O-NE2 2.92Å |
| 879 | H | 93.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | trans | -73.3 | 153.7 | -171.8 | -155.9 | 62.6 | 0 | 0 | 0 | 113.4 | F833 R840 A876 F877 M881 V884 H930 | F833-H879 VanDerWaalsContact CA-CE1 3.47Å; F833-H879 WeakPolarHBondContact CA-CE1 3.49Å; F833-H879 AromaticContact CD1-CE1 3.71Å; F833-H879 AromaticContact CD1-ND1 2.98Å; F833-H879 WeakPolarHBondContact CD1-ND1 3.28Å; F833-H879 AromaticContact CE1-ND1 3.77Å; F833-H879 AromaticContact CG-ND1 3.57Å; F833-H879 PolarHBondContact O-CE1 3.18Å; F833-H879 PolarHBondContact O-NE2 3.34Å; R840-H879 PolarHBondContact NH1-CE1 2.59Å; R840-H879 VanDerWaalsContact NH1-CE1 3.34Å; A876-H879 WeakPolarHBondContact O-CB 3.26Å; A876-H879 PolarHBondContact O-N 3.29Å; F877-H879 VanDerWaalsContact C-N 3.26Å; H879-M881 VanDerWaalsContact CD2-CB 3.42Å; H879-M881 WeakPolarHBondContact CD2-CB 3.44Å; H879-M881 PolarHBondContact CD2-N 3.36Å; H879-M881 VanDerWaalsContact CD2-N 3.34Å; H879-M881 VanDerWaalsContact NE2-CG 3.32Å; H879-M881 WeakPolarHBondContact NE2-CG 3.44Å; H879-M881 PolarHBondContact NE2-SD 3.12Å; H879-V884 HydrophobicContact CB-CB 4.34Å; H879-V884 HydrophobicContact CB-CG1 3.9Å; H879-H930 PolarHBondContact O-CD2 3.39Å; H879-H930 PolarHBondContact O-NE2 3.18Å | ||
| 880 | T | 89.4 | Confident | 95.2 | Very high | 94 Ų | 94 | 33.3 Ų | 33.3 | 58% | 0.577 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -86.4 | -26.1 | 176.6 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | R882 | T880-R882 PolarHBondContact O-N 3.07Š|
| 881 | M | 89.3 | Confident | 95.3 | Very high | 52 Ų | 52 | 33.3 Ų | 33.3 | 26% | 0.256 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -70.7 | 115.4 | 170.2 | -48.1 | 169.3 | 48.3 | 0 | 0 | 109.5 | P837 H879 N883 V884 A885 | P837-M881 HydrophobicContact CB-CE 3.93Å; P837-M881 HydrophobicContact CB-SD 4.02Å; H879-M881 VanDerWaalsContact CD2-CB 3.42Å; H879-M881 WeakPolarHBondContact CD2-CB 3.44Å; H879-M881 PolarHBondContact CD2-N 3.36Å; H879-M881 VanDerWaalsContact CD2-N 3.34Å; H879-M881 VanDerWaalsContact NE2-CG 3.32Å; H879-M881 WeakPolarHBondContact NE2-CG 3.44Å; H879-M881 PolarHBondContact NE2-SD 3.12Å; M881-N883 VanDerWaalsContact C-N 3.34Å; M881-N883 PolarHBondContact O-N 2.9Å; M881-V884 HydrophobicContact CB-CG2 4.43Å; M881-V884 HydrophobicContact CE-CG2 4.42Å; M881-V884 PolarHBondContact O-N 3.42Å; M881-A885 PolarHBondContact O-N 3.32Å; M881-A885 VanDerWaalsContact O-N 3.12Å |
| 882 | R | 89.5 | Confident | 95.4 | Very high | 163 Ų | 163 | 30.7 Ų | 30.7 | 62% | 0.615 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -54.1 | -45.6 | -172.9 | 179.8 | 176.6 | 178.4 | 173.9 | 3.4 | 113.8 | T880 V884 A885 D886 | T880-R882 PolarHBondContact O-N 3.07Å; R882-V884 VanDerWaalsContact C-N 3.33Å; R882-V884 PolarHBondContact O-N 2.86Å; R882-A885 PolarHBondContact O-N 2.96Å; R882-D886 VanDerWaalsContact CG-OD2 3.31Å; R882-D886 WeakPolarHBondContact CG-OD2 3.42Å; R882-D886 IonicContact NE-OD2 2.79Å; R882-D886 PolarHBondContact NE-OD2 3.08Å; R882-D886 WeakPolarHBondContact O-CB 3.39Å; R882-D886 VanDerWaalsContact O-CG 3.24Å; R882-D886 PolarHBondContact O-N 3.32Å |
| 883 | N | 89.9 | Confident | 95.4 | Very high | 59 Ų | 59 | 33.4 Ų | 33.4 | 32% | 0.316 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.3 | -40.9 | -178.3 | 63.3 | -41.3 | 0 | 0 | 0 | 112.5 | T841 M881 T887 | T841-N883 PolarHBondContact OG1-ND2 2.84Å; M881-N883 VanDerWaalsContact C-N 3.34Å; M881-N883 PolarHBondContact O-N 2.9Å; N883-T887 WeakPolarHBondContact O-CB 3.45Å; N883-T887 PolarHBondContact O-N 3.48Å; N883-T887 PolarHBondContact O-OG1 3.42Å |
| 884 | V | 96.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.5 | -43.4 | 177.6 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | R840 F844 A876 H879 M881 R882 T887 G888 | R840-V884 HydrophobicContact CB-CG2 4.1Å; F844-V884 HydrophobicContact CD2-CG1 3.56Å; F844-V884 HydrophobicContact CE2-CG1 3.73Å; A876-V884 HydrophobicContact CB-CG1 4.23Å; H879-V884 HydrophobicContact CB-CB 4.34Å; H879-V884 HydrophobicContact CB-CG1 3.9Å; M881-V884 HydrophobicContact CB-CG2 4.43Å; M881-V884 HydrophobicContact CE-CG2 4.42Å; M881-V884 PolarHBondContact O-N 3.42Å; R882-V884 VanDerWaalsContact C-N 3.33Å; R882-V884 PolarHBondContact O-N 2.86Å; V884-T887 PolarHBondContact O-N 3.31Å; V884-G888 PolarHBondContact O-N 3.39Å |
| 885 | A | 95.4 | Very high | 95.4 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 7% | 0.074 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.5 | -47.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A876 M881 R882 T887 G888 L889 | A876-A885 VanDerWaalsContact O-CA 3.28Å; A876-A885 WeakPolarHBondContact O-CA 3.45Å; M881-A885 PolarHBondContact O-N 3.32Å; M881-A885 VanDerWaalsContact O-N 3.12Å; R882-A885 PolarHBondContact O-N 2.96Å; A885-T887 VanDerWaalsContact C-N 3.32Å; A885-T887 PolarHBondContact O-N 2.99Å; A885-G888 PolarHBondContact O-N 2.94Å; A885-G888 VanDerWaalsContact O-N 3.15Å; A885-L889 WeakPolarHBondContact O-CG 3.27Å; A885-L889 PolarHBondContact O-N 2.86Å |
| 886 | D | 93.3 | Very high | 95.4 | Very high | 39 Ų | 39 | 31.8 Ų | 31.8 | 21% | 0.209 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 176.8 | -70.9 | -15.4 | 0 | 0 | 0 | 110.9 | R882 L889 Q890 | R882-D886 VanDerWaalsContact CG-OD2 3.31Å; R882-D886 WeakPolarHBondContact CG-OD2 3.42Å; R882-D886 IonicContact NE-OD2 2.79Å; R882-D886 PolarHBondContact NE-OD2 3.08Å; R882-D886 WeakPolarHBondContact O-CB 3.39Å; R882-D886 VanDerWaalsContact O-CG 3.24Å; R882-D886 PolarHBondContact O-N 3.32Å; D886-L889 PolarHBondContact O-N 3.03Å; D886-Q890 VanDerWaalsContact O-CG 3.32Å; D886-Q890 WeakPolarHBondContact O-CG 3.32Å; D886-Q890 PolarHBondContact O-N 3.29Å |
| 887 | T | 96.8 | Very high | 95.4 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 7% | 0.067 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63 | -44 | 174.9 | -55.5 | 0 | 0 | 0 | 0 | 111 | F844 Y845 Q848 N883 V884 A885 L889 Q890 I891 | F844-T887 HydrophobicContact CB-CG2 4.05Å; Y845-T887 HydrophobicContact CD1-CG2 4.19Å; Y845-T887 HydrophobicContact CE1-CG2 4.48Å; Q848-T887 HydrophobicContact CB-CG2 4.36Å; N883-T887 WeakPolarHBondContact O-CB 3.45Å; N883-T887 PolarHBondContact O-N 3.48Å; N883-T887 PolarHBondContact O-OG1 3.42Å; V884-T887 PolarHBondContact O-N 3.31Å; A885-T887 VanDerWaalsContact C-N 3.32Å; A885-T887 PolarHBondContact O-N 2.99Å; T887-L889 PolarHBondContact O-N 3.31Å; T887-Q890 WeakPolarHBondContact O-CB 3.41Å; T887-Q890 PolarHBondContact O-N 2.96Å; T887-I891 HydrophobicContact CG2-CD1 4Å; T887-I891 HydrophobicContact CG2-CG1 4.34Å; T887-I891 VanDerWaalsContact O-CG1 3.23Å; T887-I891 WeakPolarHBondContact O-CG1 3.41Å; T887-I891 PolarHBondContact O-N 2.8Å |
| 888 | G | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.9 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I873 V884 A885 I891 L892 | I873-G888 WeakPolarHBondContact CG2-O 3.47Å; V884-G888 PolarHBondContact O-N 3.39Å; A885-G888 PolarHBondContact O-N 2.94Å; A885-G888 VanDerWaalsContact O-N 3.15Å; G888-I891 PolarHBondContact O-N 3.28Å; G888-L892 PolarHBondContact O-N 3.27Å |
| 889 | L | 97.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.8 | -40.4 | 176.2 | -66.5 | 171.6 | 0 | 0 | 0 | 112.1 | F877 A885 D886 T887 L892 Y893 M936 H937 I940 | F877-L889 HydrophobicContact CB-CD2 3.58Å; F877-L889 HydrophobicContact CB-CG 3.71Å; F877-L889 HydrophobicContact CD1-CD2 4.36Å; F877-L889 HydrophobicContact CD2-CD2 4.48Å; F877-L889 HydrophobicContact CG-CD2 3.95Å; A885-L889 WeakPolarHBondContact O-CG 3.27Å; A885-L889 PolarHBondContact O-N 2.86Å; D886-L889 PolarHBondContact O-N 3.03Å; T887-L889 PolarHBondContact O-N 3.31Å; L889-L892 PolarHBondContact O-N 2.95Å; L889-Y893 WeakPolarHBondContact O-CB 3.39Å; L889-Y893 PolarHBondContact O-N 2.78Å; L889-M936 HydrophobicContact CB-CB 3.96Å; L889-M936 HydrophobicContact CB-CG 4.46Å; L889-M936 HydrophobicContact CD1-CB 3.78Å; L889-M936 HydrophobicContact CG-CB 4.44Å; L889-H937 WeakPolarHBondContact CD1-NE2 3.49Å; L889-I940 HydrophobicContact CB-CD1 4.06Å; L889-I940 HydrophobicContact CD2-CD1 3.86Å; L889-I940 WeakPolarHBondContact O-CD1 3.31Å |
| 890 | Q | 97.6 | Very high | 95.3 | Very high | 82 Ų | 82 | 36.2 Ų | 36.2 | 38% | 0.383 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.4 | -44 | 175 | -71.8 | 171.9 | 9.4 | 0 | 0 | 111.9 | D886 T887 L892 Y893 T894 M936 | D886-Q890 VanDerWaalsContact O-CG 3.32Å; D886-Q890 WeakPolarHBondContact O-CG 3.32Å; D886-Q890 PolarHBondContact O-N 3.29Å; T887-Q890 WeakPolarHBondContact O-CB 3.41Å; T887-Q890 PolarHBondContact O-N 2.96Å; Q890-L892 VanDerWaalsContact C-N 3.32Å; Q890-L892 PolarHBondContact O-N 3.45Å; Q890-Y893 PolarHBondContact O-N 3.18Å; Q890-T894 PolarHBondContact O-N 3.31Å; Q890-T894 PolarHBondContact O-OG1 3.08Å; Q890-T894 VanDerWaalsContact O-OG1 3.12Å; Q890-M936 HydrophobicContact CG-CE 4.39Å |
| 891 | I | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.7 | -47.7 | 176.1 | -63.6 | 165.6 | 0 | 0 | 0 | 109.9 | F844 L847 Q848 T851 I873 T887 G888 Y893 T894 L895 | F844-I891 HydrophobicContact CB-CD1 4.26Å; F844-I891 HydrophobicContact CD1-CD1 4.28Å; F844-I891 WeakPolarHBondContact O-CD1 3.44Å; L847-I891 HydrophobicContact CB-CD1 4.29Å; L847-I891 HydrophobicContact CD2-CD1 4.41Å; L847-I891 HydrophobicContact CG-CD1 4.29Å; L847-I891 HydrophobicContact CG-CG2 4.43Å; Q848-I891 HydrophobicContact CB-CD1 4Å; Q848-I891 HydrophobicContact CB-CG1 3.63Å; Q848-I891 HydrophobicContact CG-CG1 3.99Å; T851-I891 HydrophobicContact CG2-CG2 4.19Å; I873-I891 HydrophobicContact CD1-CG2 3.56Å; I873-I891 HydrophobicContact CG1-CG2 3.73Å; I873-I891 HydrophobicContact CG2-CB 4.4Å; I873-I891 HydrophobicContact CG2-CG2 4.34Å; T887-I891 HydrophobicContact CG2-CD1 4Å; T887-I891 HydrophobicContact CG2-CG1 4.34Å; T887-I891 VanDerWaalsContact O-CG1 3.23Å; T887-I891 WeakPolarHBondContact O-CG1 3.41Å; T887-I891 PolarHBondContact O-N 2.8Å; G888-I891 PolarHBondContact O-N 3.28Å; I891-Y893 PolarHBondContact O-N 3.18Å; I891-T894 PolarHBondContact O-N 2.95Å; I891-L895 VanDerWaalsContact O-CB 3.22Å; I891-L895 WeakPolarHBondContact O-CB 3.3Å; I891-L895 PolarHBondContact O-N 3.2Å |
| 892 | L | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.2 | -45.2 | 179.6 | -178.7 | 60.6 | 0 | 0 | 0 | 111.9 | L870 I873 F877 G888 L889 Q890 L895 L896 I917 I921 I940 | L870-L892 HydrophobicContact CD1-CD1 4.37Å; I873-L892 HydrophobicContact CG2-CB 3.83Å; I873-L892 HydrophobicContact CG2-CD1 4.49Å; F877-L892 HydrophobicContact CD1-CD2 4.23Å; F877-L892 HydrophobicContact CE1-CD2 3.76Å; G888-L892 PolarHBondContact O-N 3.27Å; L889-L892 PolarHBondContact O-N 2.95Å; Q890-L892 VanDerWaalsContact C-N 3.32Å; Q890-L892 PolarHBondContact O-N 3.45Å; L892-L895 WeakPolarHBondContact O-CB 3.47Å; L892-L895 PolarHBondContact O-N 2.84Å; L892-L896 HydrophobicContact CD1-CD1 4.42Å; L892-L896 HydrophobicContact CD1-CG 4.34Å; L892-L896 HydrophobicContact CG-CD1 4.25Å; L892-L896 VanDerWaalsContact O-CG 3.3Å; L892-L896 WeakPolarHBondContact O-CG 3.35Å; L892-L896 PolarHBondContact O-N 2.99Å; L892-I917 HydrophobicContact CD1-CD1 4.25Å; L892-I917 HydrophobicContact CD1-CG2 4.15Å; L892-I917 HydrophobicContact CD2-CG2 3.96Å; L892-I921 HydrophobicContact CD2-CD1 3.92Å; L892-I921 HydrophobicContact CD2-CG1 4.15Å; L892-I940 HydrophobicContact CD2-CD1 4.3Å; L892-I940 HydrophobicContact CD2-CG2 4.29Å |
| 893 | Y | 98.3 | Very high | 95.4 | Very high | 59 Ų | 59 | 37.5 Ų | 37.5 | 23% | 0.231 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 179.2 | -175.3 | -117 | 0 | 0 | 0 | 111.8 | L889 Q890 I891 L895 L896 Q897 M936 T939 I940 Y943 | L889-Y893 WeakPolarHBondContact O-CB 3.39Å; L889-Y893 PolarHBondContact O-N 2.78Å; Q890-Y893 PolarHBondContact O-N 3.18Å; I891-Y893 PolarHBondContact O-N 3.18Å; Y893-L895 VanDerWaalsContact C-N 3.31Å; Y893-L895 PolarHBondContact O-N 3.47Å; Y893-L896 PolarHBondContact O-N 3.07Å; Y893-Q897 VanDerWaalsContact CE1-NE2 3.35Å; Y893-Q897 VanDerWaalsContact CZ-NE2 3.33Å; Y893-Q897 WeakPolarHBondContact O-CG 3.5Å; Y893-Q897 PolarHBondContact O-N 3.23Å; Y893-Q897 VanDerWaalsContact O-N 3.08Å; Y893-Q897 PolarHBondContact OH-NE2 3.43Å; Y893-M936 HydrophobicContact CG-CE 4.34Å; Y893-T939 HydrophobicContact CD2-CG2 4.23Å; Y893-T939 HydrophobicContact CE1-CG2 4.39Å; Y893-T939 HydrophobicContact CE2-CG2 3.78Å; Y893-I940 HydrophobicContact CD2-CG1 4.01Å; Y893-I940 HydrophobicContact CG-CG1 4.35Å; Y893-Y943 HydrophobicContact CE2-CD1 4.44Å; Y893-Y943 HydrophobicContact CE2-CD2 4.3Å; Y893-Y943 AromaticContact CE2-CG 3.98Å; Y893-Y943 HydrophobicContact CE2-CG 3.98Å |
| 894 | T | 97.9 | Very high | 95.3 | Very high | 32 Ų | 32 | 38.9 Ų | 38.9 | 20% | 0.196 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 176.4 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | T851 Q890 I891 L896 Q897 N898 | T851-T894 HydrophobicContact CG2-CG2 4.32Å; Q890-T894 PolarHBondContact O-N 3.31Å; Q890-T894 PolarHBondContact O-OG1 3.08Å; Q890-T894 VanDerWaalsContact O-OG1 3.12Å; I891-T894 PolarHBondContact O-N 2.95Å; T894-L896 PolarHBondContact O-N 3.43Å; T894-Q897 PolarHBondContact O-N 2.78Å; T894-N898 WeakPolarHBondContact O-CB 3.49Å; T894-N898 PolarHBondContact O-N 3.23Å; T894-N898 PolarHBondContact O-ND2 2.9Å |
| 895 | L | 97.8 | Very high | 95 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.4 | -47.4 | 175.9 | 179.2 | 70.7 | 0 | 0 | 0 | 111.2 | T851 F855 F858 F866 L870 I873 I891 L892 Y893 Q897 N898 V899 | T851-L895 HydrophobicContact CG2-CB 4.03Å; T851-L895 HydrophobicContact CG2-CD1 4.32Å; F855-L895 HydrophobicContact CD2-CD1 4.23Å; F855-L895 HydrophobicContact CE2-CD1 3.66Å; F858-L895 HydrophobicContact CD2-CD1 4.33Å; F866-L895 HydrophobicContact CE2-CD1 4.46Å; F866-L895 HydrophobicContact CZ-CD1 4.41Å; L870-L895 HydrophobicContact CD1-CD2 3.93Å; I873-L895 HydrophobicContact CD1-CD2 3.92Å; I891-L895 VanDerWaalsContact O-CB 3.22Å; I891-L895 WeakPolarHBondContact O-CB 3.3Å; I891-L895 PolarHBondContact O-N 3.2Å; L892-L895 WeakPolarHBondContact O-CB 3.47Å; L892-L895 PolarHBondContact O-N 2.84Å; Y893-L895 VanDerWaalsContact C-N 3.31Å; Y893-L895 PolarHBondContact O-N 3.47Å; L895-Q897 VanDerWaalsContact C-N 3.33Å; L895-Q897 PolarHBondContact O-N 2.87Å; L895-N898 PolarHBondContact O-N 3.41Å; L895-V899 HydrophobicContact CD1-CG2 4.45Å; L895-V899 HydrophobicContact CG-CG2 4.48Å; L895-V899 WeakPolarHBondContact O-CB 3.48Å; L895-V899 VanDerWaalsContact O-CG2 3.28Å; L895-V899 WeakPolarHBondContact O-CG2 3.41Å; L895-V899 PolarHBondContact O-N 3.09Å |
| 896 | L | 97 | Very high | 94.9 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.6 | -39.9 | 179.1 | -69.9 | 171.4 | 0 | 0 | 0 | 111.9 | L892 Y893 T894 S900 F909 I917 I940 Y943 M944 | L892-L896 HydrophobicContact CD1-CD1 4.42Å; L892-L896 HydrophobicContact CD1-CG 4.34Å; L892-L896 HydrophobicContact CG-CD1 4.25Å; L892-L896 VanDerWaalsContact O-CG 3.3Å; L892-L896 WeakPolarHBondContact O-CG 3.35Å; L892-L896 PolarHBondContact O-N 2.99Å; Y893-L896 PolarHBondContact O-N 3.07Å; T894-L896 PolarHBondContact O-N 3.43Å; L896-S900 WeakPolarHBondContact O-CB 3.5Å; L896-S900 PolarHBondContact O-N 3.22Å; L896-F909 HydrophobicContact CD2-CE1 3.82Å; L896-F909 HydrophobicContact CD2-CZ 4.21Å; L896-I917 HydrophobicContact CD2-CD1 4.29Å; L896-I940 HydrophobicContact CD1-CG2 3.82Å; L896-Y943 HydrophobicContact CB-CD1 4.25Å; L896-Y943 HydrophobicContact CB-CE1 3.82Å; L896-M944 HydrophobicContact CD1-CG 3.85Å; L896-M944 HydrophobicContact CD1-SD 4.01Å |
| 897 | Q | 96.4 | Very high | 94.9 | Very high | 76 Ų | 76 | 40.2 Ų | 40.2 | 36% | 0.355 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.9 | -45 | 174.9 | -69 | -179.5 | -42 | 0 | 0 | 112 | Y893 T894 L895 S900 A901 Y943 | Y893-Q897 VanDerWaalsContact CE1-NE2 3.35Å; Y893-Q897 VanDerWaalsContact CZ-NE2 3.33Å; Y893-Q897 WeakPolarHBondContact O-CG 3.5Å; Y893-Q897 PolarHBondContact O-N 3.23Å; Y893-Q897 VanDerWaalsContact O-N 3.08Å; Y893-Q897 PolarHBondContact OH-NE2 3.43Å; T894-Q897 PolarHBondContact O-N 2.78Å; L895-Q897 VanDerWaalsContact C-N 3.33Å; L895-Q897 PolarHBondContact O-N 2.87Å; Q897-S900 WeakPolarHBondContact O-CB 3.43Å; Q897-S900 PolarHBondContact O-N 3.36Å; Q897-A901 PolarHBondContact O-N 3.32Å; Q897-A901 VanDerWaalsContact O-N 3.15Å; Q897-Y943 HydrophobicContact CG-CE2 4.41Å |
| 898 | N | 95.9 | Very high | 94.7 | Very high | 40 Ų | 40 | 42.8 Ų | 42.8 | 21% | 0.214 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.4 | -41.5 | 178.7 | -72.1 | -14.7 | 0 | 0 | 0 | 112.2 | T851 F855 T894 L895 S900 A901 E902 | T851-N898 PolarHBondContact O-ND2 3.39Å; F855-N898 HydrophobicContact CB-CB 4.32Å; F855-N898 HydrophobicContact CD1-CB 3.72Å; F855-N898 HydrophobicContact CD2-CB 3.72Å; F855-N898 HydrophobicContact CE1-CB 3.87Å; F855-N898 HydrophobicContact CE2-CB 3.9Å; F855-N898 HydrophobicContact CG-CB 3.63Å; F855-N898 HydrophobicContact CZ-CB 3.96Å; T894-N898 WeakPolarHBondContact O-CB 3.49Å; T894-N898 PolarHBondContact O-N 3.23Å; T894-N898 PolarHBondContact O-ND2 2.9Å; L895-N898 PolarHBondContact O-N 3.41Å; N898-S900 VanDerWaalsContact C-N 3.32Å; N898-S900 PolarHBondContact O-N 3.06Å; N898-A901 PolarHBondContact O-N 3.45Å; N898-E902 PolarHBondContact O-N 3.08Å |
| 899 | V | 95.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 173.6 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | F855 L895 A901 E902 A906 F909 Y910 | F855-V899 HydrophobicContact CE2-CG2 4.15Å; F855-V899 HydrophobicContact CZ-CB 4.48Å; F855-V899 HydrophobicContact CZ-CG2 3.71Å; L895-V899 HydrophobicContact CD1-CG2 4.45Å; L895-V899 HydrophobicContact CG-CG2 4.48Å; L895-V899 WeakPolarHBondContact O-CB 3.48Å; L895-V899 VanDerWaalsContact O-CG2 3.28Å; L895-V899 WeakPolarHBondContact O-CG2 3.41Å; L895-V899 PolarHBondContact O-N 3.09Å; V899-A901 PolarHBondContact O-N 2.88Å; V899-E902 PolarHBondContact O-N 3.22Å; V899-A906 HydrophobicContact CG1-CB 4.26Å; V899-A906 WeakPolarHBondContact O-CB 3.41Å; V899-F909 HydrophobicContact CB-CD1 4.43Å; V899-F909 HydrophobicContact CG1-CB 3.81Å; V899-F909 HydrophobicContact CG1-CD1 3.63Å; V899-F909 HydrophobicContact CG1-CD2 4.45Å; V899-F909 HydrophobicContact CG1-CE1 4.32Å; V899-F909 HydrophobicContact CG1-CG 3.71Å; V899-F909 HydrophobicContact CG2-CD1 4.34Å; V899-F909 HydrophobicContact CG2-CD2 4.08Å; V899-F909 HydrophobicContact CG2-CE1 4.46Å; V899-F909 HydrophobicContact CG2-CE2 4.22Å; V899-F909 HydrophobicContact CG2-CG 4.14Å; V899-F909 HydrophobicContact CG2-CZ 4.4Å; V899-Y910 HydrophobicContact CG1-CE1 4.19Å |
| 900 | S | 93.3 | Very high | 94.4 | Very high | 33 Ų | 33 | 43.4 Ų | 43.4 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.1 | -24.3 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 113.3 | L896 Q897 N898 Y910 Y943 | L896-S900 WeakPolarHBondContact O-CB 3.5Å; L896-S900 PolarHBondContact O-N 3.22Å; Q897-S900 WeakPolarHBondContact O-CB 3.43Å; Q897-S900 PolarHBondContact O-N 3.36Å; N898-S900 VanDerWaalsContact C-N 3.32Å; N898-S900 PolarHBondContact O-N 3.06Å; S900-Y910 WeakPolarHBondContact CA-OH 3.49Å; S900-Y943 VanDerWaalsContact CB-OH 3.28Å; S900-Y943 WeakPolarHBondContact CB-OH 3.47Å |
| 901 | A | 92.2 | Very high | 94.1 | Very high | 84 Ų | 84 | 45.1 Ų | 45.1 | 69% | 0.694 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -80.7 | -18.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q897 N898 V899 | Q897-A901 PolarHBondContact O-N 3.32Å; Q897-A901 VanDerWaalsContact O-N 3.15Å; N898-A901 PolarHBondContact O-N 3.45Å; V899-A901 PolarHBondContact O-N 2.88Å |
| 902 | E | 92.1 | Very high | 93.9 | Very high | 82 Ų | 82 | 49.2 Ų | 49.2 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | trans | -105.1 | 86.1 | -178.7 | -174.9 | 60.7 | -134.4 | 0 | 0 | 111.1 | F855 L859 N898 V899 A904 A905 A906 | F855-E902 HydrophobicContact CE1-CB 4.44Å; L859-E902 HydrophobicContact CD1-CG 3.8Å; N898-E902 PolarHBondContact O-N 3.08Å; V899-E902 PolarHBondContact O-N 3.22Å; E902-A904 PolarHBondContact O-N 3.37Å; E902-A904 VanDerWaalsContact O-N 3.12Å; E902-A905 HydrophobicContact CG-CB 4.02Å; E902-A905 PolarHBondContact O-N 3.44Å; E902-A905 VanDerWaalsContact O-N 3.16Å; E902-A906 WeakPolarHBondContact O-CB 3.17Å; E902-A906 PolarHBondContact O-N 3.4Å | ||
| 903 | E | 85.5 | Confident | 93.8 | Very high | 170 Ų | 170 | 50.4 Ų | 50.4 | 79% | 0.794 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -54.7 | -36 | -173.2 | -65.4 | -175.5 | 173.2 | 0 | 0 | 113.8 | A905 | E903-A905 PolarHBondContact O-N 2.94Å |
| 904 | A | 87.3 | Confident | 93.7 | Very high | 88 Ų | 88 | 47.7 Ų | 47.7 | 73% | 0.727 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.8 | -37.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E902 | E902-A904 PolarHBondContact O-N 3.37Å; E902-A904 VanDerWaalsContact O-N 3.12Å |
| 905 | A | 90.6 | Very high | 93.5 | Very high | 25 Ų | 25 | 47.4 Ų | 47.4 | 21% | 0.207 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -94.8 | -27.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L859 E902 E903 Q907 S908 F909 | L859-A905 HydrophobicContact CD2-CB 3.86Å; E902-A905 HydrophobicContact CG-CB 4.02Å; E902-A905 PolarHBondContact O-N 3.44Å; E902-A905 VanDerWaalsContact O-N 3.16Å; E903-A905 PolarHBondContact O-N 2.94Å; A905-Q907 PolarHBondContact O-N 3.29Å; A905-S908 PolarHBondContact O-N 3.46Å; A905-S908 VanDerWaalsContact O-N 3.16Å; A905-S908 PolarHBondContact O-OG 2.91Å; A905-F909 PolarHBondContact O-N 3.15Å |
| 906 | A | 92.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.033 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -49.7 | -52.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V899 E902 S908 F909 Y910 | V899-A906 HydrophobicContact CG1-CB 4.26Å; V899-A906 WeakPolarHBondContact O-CB 3.41Å; E902-A906 WeakPolarHBondContact O-CB 3.17Å; E902-A906 PolarHBondContact O-N 3.4Å; A906-S908 PolarHBondContact O-N 3.29Å; A906-F909 WeakPolarHBondContact O-CB 3.47Å; A906-F909 PolarHBondContact O-N 3.35Å; A906-Y910 HydrophobicContact CB-CD2 4.47Å; A906-Y910 HydrophobicContact CB-CE2 3.82Å; A906-Y910 WeakPolarHBondContact O-CD2 3.35Å; A906-Y910 PolarHBondContact O-N 3.49Å |
| 907 | Q | 93.1 | Very high | 93.4 | Very high | 50 Ų | 50 | 49.5 Ų | 49.5 | 23% | 0.234 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.5 | -43.3 | -176.7 | -60 | -49.7 | -44.5 | 0 | 0 | 112.1 | A905 F909 Y910 Q911 K952 S954 V955 | A905-Q907 PolarHBondContact O-N 3.29Å; Q907-F909 VanDerWaalsContact C-N 3.29Å; Q907-F909 PolarHBondContact O-N 3.32Å; Q907-Y910 PolarHBondContact O-N 2.94Å; Q907-Q911 WeakPolarHBondContact O-CB 3.32Å; Q907-Q911 PolarHBondContact O-N 3.05Å; Q907-K952 PolarHBondContact NE2-O 3.04Å; Q907-S954 PolarHBondContact OE1-OG 2.69Å; Q907-S954 VanDerWaalsContact OE1-OG 3.12Å; Q907-V955 HydrophobicContact CB-CB 4.19Å; Q907-V955 HydrophobicContact CB-CG1 4.31Å; Q907-V955 WeakPolarHBondContact O-CG1 3.1Å |
| 908 | S | 92.4 | Very high | 93.4 | Very high | 65 Ų | 65 | 45.9 Ų | 45.9 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.4 | -36.4 | 176.8 | 70.9 | 0 | 0 | 0 | 0 | 112.4 | A905 A906 T912 | A905-S908 PolarHBondContact O-N 3.46Å; A905-S908 VanDerWaalsContact O-N 3.16Å; A905-S908 PolarHBondContact O-OG 2.91Å; A906-S908 PolarHBondContact O-N 3.29Å; S908-T912 WeakPolarHBondContact O-CB 3.3Å; S908-T912 PolarHBondContact O-N 2.93Å; S908-T912 PolarHBondContact O-OG1 3.23Å |
| 909 | F | 95 | Very high | 93.4 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 4% | 0.044 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66 | -47.7 | 175.1 | 175.8 | -85.6 | 0 | 0 | 0 | 111.2 | F866 L896 V899 A905 A906 Q907 Q911 T912 Y913 I917 | F866-F909 AromaticContact CE1-CD2 3.72Å; F866-F909 HydrophobicContact CE1-CD2 3.72Å; F866-F909 AromaticContact CE1-CE2 3.64Å; F866-F909 HydrophobicContact CE1-CE2 3.64Å; F866-F909 AromaticContact CZ-CD2 3.81Å; F866-F909 HydrophobicContact CZ-CD2 3.81Å; F866-F909 AromaticContact CZ-CE2 3.65Å; F866-F909 HydrophobicContact CZ-CE2 3.65Å; L896-F909 HydrophobicContact CD2-CE1 3.82Å; L896-F909 HydrophobicContact CD2-CZ 4.21Å; V899-F909 HydrophobicContact CB-CD1 4.43Å; V899-F909 HydrophobicContact CG1-CB 3.81Å; V899-F909 HydrophobicContact CG1-CD1 3.63Å; V899-F909 HydrophobicContact CG1-CD2 4.45Å; V899-F909 HydrophobicContact CG1-CE1 4.32Å; V899-F909 HydrophobicContact CG1-CG 3.71Å; V899-F909 HydrophobicContact CG2-CD1 4.34Å; V899-F909 HydrophobicContact CG2-CD2 4.08Å; V899-F909 HydrophobicContact CG2-CE1 4.46Å; V899-F909 HydrophobicContact CG2-CE2 4.22Å; V899-F909 HydrophobicContact CG2-CG 4.14Å; V899-F909 HydrophobicContact CG2-CZ 4.4Å; A905-F909 PolarHBondContact O-N 3.15Å; A906-F909 WeakPolarHBondContact O-CB 3.47Å; A906-F909 PolarHBondContact O-N 3.35Å; Q907-F909 VanDerWaalsContact C-N 3.29Å; Q907-F909 PolarHBondContact O-N 3.32Å; F909-Q911 PolarHBondContact O-N 3.07Å; F909-T912 PolarHBondContact O-N 2.81Å; F909-Y913 AromaticContact CD2-CD2 3.59Å; F909-Y913 HydrophobicContact CD2-CD2 3.59Å; F909-Y913 HydrophobicContact CD2-CE2 4.22Å; F909-Y913 AromaticContact CE2-CD2 3.8Å; F909-Y913 HydrophobicContact CE2-CD2 3.8Å; F909-Y913 HydrophobicContact CE2-CG 4.38Å; F909-Y913 HydrophobicContact CG-CD2 4.17Å; F909-Y913 PolarHBondContact O-N 2.96Å; F909-I917 HydrophobicContact CE1-CD1 4.07Å; F909-I917 HydrophobicContact CZ-CD1 3.7Å |
| 910 | Y | 94.6 | Very high | 93.5 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 179.5 | -59.3 | -38.4 | 0 | 0 | 0 | 111.6 | V899 S900 A906 Q907 T912 F914 L947 V953 L957 | V899-Y910 HydrophobicContact CG1-CE1 4.19Å; S900-Y910 WeakPolarHBondContact CA-OH 3.49Å; A906-Y910 HydrophobicContact CB-CD2 4.47Å; A906-Y910 HydrophobicContact CB-CE2 3.82Å; A906-Y910 WeakPolarHBondContact O-CD2 3.35Å; A906-Y910 PolarHBondContact O-N 3.49Å; Q907-Y910 PolarHBondContact O-N 2.94Å; Y910-T912 PolarHBondContact O-N 2.88Å; Y910-F914 HydrophobicContact CD1-CD2 4.27Å; Y910-F914 WeakPolarHBondContact O-CB 3.39Å; Y910-F914 PolarHBondContact O-N 3.25Å; Y910-F914 VanDerWaalsContact O-N 3.13Å; Y910-L947 HydrophobicContact CE1-CD1 4.3Å; Y910-V953 HydrophobicContact CD2-CB 4.33Å; Y910-V953 HydrophobicContact CD2-CG1 4.24Å; Y910-V953 HydrophobicContact CD2-CG2 3.86Å; Y910-V953 HydrophobicContact CE2-CG2 4.19Å; Y910-V953 HydrophobicContact CG-CG1 4.33Å; Y910-V953 HydrophobicContact CG-CG2 4.07Å; Y910-L957 WeakPolarHBondContact O-CD2 3.42Å |
| 911 | Q | 92 | Very high | 93.7 | Very high | 118 Ų | 118 | 47.9 Ų | 47.9 | 55% | 0.551 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.2 | -36.1 | 176.8 | -169.5 | 175.5 | 33 | 0 | 0 | 112.7 | Q907 F909 V955 | Q907-Q911 WeakPolarHBondContact O-CB 3.32Å; Q907-Q911 PolarHBondContact O-N 3.05Å; F909-Q911 PolarHBondContact O-N 3.07Å; Q911-V955 HydrophobicContact CB-CG1 3.98Å; Q911-V955 HydrophobicContact CB-CG2 4.09Å; Q911-V955 HydrophobicContact CG-CG2 4.19Å |
| 912 | T | 94.1 | Very high | 93.9 | Very high | 86 Ų | 86 | 44 Ų | 44 | 53% | 0.528 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -86.2 | -41.5 | -174 | -51.6 | 0 | 0 | 0 | 0 | 112.8 | S908 F909 Y910 | S908-T912 WeakPolarHBondContact O-CB 3.3Å; S908-T912 PolarHBondContact O-N 2.93Å; S908-T912 PolarHBondContact O-OG1 3.23Å; F909-T912 PolarHBondContact O-N 2.81Å; Y910-T912 PolarHBondContact O-N 2.88Å |
| 913 | Y | 96.3 | Very high | 94 | Very high | 26 Ų | 26 | 42.6 Ų | 42.6 | 10% | 0.102 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -122.3 | -11.8 | -163.6 | -58.1 | -65.8 | 0 | 0 | 0 | 115.2 | F866 K867 L870 F909 C915 D916 I917 | F866-Y913 AromaticContact CD1-CE2 3.88Å; F866-Y913 HydrophobicContact CD1-CE2 3.88Å; F866-Y913 HydrophobicContact CE1-CD2 4.22Å; F866-Y913 AromaticContact CE1-CE2 3.78Å; F866-Y913 HydrophobicContact CE1-CE2 3.78Å; K867-Y913 HydrophobicContact CB-CE1 4.49Å; L870-Y913 HydrophobicContact CD2-CD1 3.33Å; L870-Y913 HydrophobicContact CD2-CD2 4.22Å; L870-Y913 HydrophobicContact CD2-CE1 3.92Å; L870-Y913 HydrophobicContact CD2-CG 3.5Å; F909-Y913 AromaticContact CD2-CD2 3.59Å; F909-Y913 HydrophobicContact CD2-CD2 3.59Å; F909-Y913 HydrophobicContact CD2-CE2 4.22Å; F909-Y913 AromaticContact CE2-CD2 3.8Å; F909-Y913 HydrophobicContact CE2-CD2 3.8Å; F909-Y913 HydrophobicContact CE2-CG 4.38Å; F909-Y913 HydrophobicContact CG-CD2 4.17Å; F909-Y913 PolarHBondContact O-N 2.96Å; Y913-C915 PolarHBondContact O-N 3.43Å; Y913-D916 PolarHBondContact O-N 2.86Å; Y913-I917 WeakPolarHBondContact O-CB 3.28Å; Y913-I917 VanDerWaalsContact O-CG1 3.28Å; Y913-I917 WeakPolarHBondContact O-CG1 3.37Å; Y913-I917 PolarHBondContact O-N 2.87Å |
| 914 | F | 95.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -51.1 | -171.9 | -173.2 | -91 | 0 | 0 | 0 | 112.8 | Y910 D916 L918 M944 V948 V953 L957 V969 | Y910-F914 HydrophobicContact CD1-CD2 4.27Å; Y910-F914 WeakPolarHBondContact O-CB 3.39Å; Y910-F914 PolarHBondContact O-N 3.25Å; Y910-F914 VanDerWaalsContact O-N 3.13Å; F914-D916 VanDerWaalsContact C-N 3.33Å; F914-D916 PolarHBondContact O-N 2.83Å; F914-L918 HydrophobicContact CD1-CD1 3.86Å; F914-L918 HydrophobicContact CD1-CG 4.46Å; F914-L918 HydrophobicContact CE1-CD1 3.45Å; F914-L918 VanDerWaalsContact CE1-CD1 3.45Å; F914-L918 HydrophobicContact CE1-CG 4.21Å; F914-L918 HydrophobicContact CZ-CD1 4.22Å; F914-L918 WeakPolarHBondContact O-CG 3.49Å; F914-L918 PolarHBondContact O-N 2.96Å; F914-L918 VanDerWaalsContact O-N 3.08Å; F914-M944 HydrophobicContact CD2-CE 3.77Å; F914-M944 HydrophobicContact CE2-CB 4.04Å; F914-M944 HydrophobicContact CE2-CE 3.71Å; F914-M944 HydrophobicContact CE2-CG 4.39Å; F914-M944 HydrophobicContact CG-CE 4.21Å; F914-M944 HydrophobicContact CZ-CB 4.11Å; F914-M944 HydrophobicContact CZ-CE 4.08Å; F914-V948 HydrophobicContact CE1-CG2 3.85Å; F914-V948 HydrophobicContact CE2-CG2 4.09Å; F914-V948 HydrophobicContact CZ-CG2 3.35Å; F914-V953 HydrophobicContact CE2-CG2 4.46Å; F914-L957 HydrophobicContact CB-CD2 4.34Å; F914-L957 HydrophobicContact CD1-CD1 3.88Å; F914-L957 HydrophobicContact CE1-CD1 4.28Å; F914-L957 HydrophobicContact CG-CD1 4.49Å; F914-V969 HydrophobicContact CE1-CG2 3.94Å |
| 915 | C | 94.1 | Very high | 94.9 | Very high | 25 Ų | 25 | 30.7 Ų | 30.7 | 17% | 0.169 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.3 | -31 | 179.4 | -67.9 | 0 | 0 | 0 | 0 | 113.2 | Y913 Q919 Y972 | Y913-C915 PolarHBondContact O-N 3.43Å; C915-Q919 WeakPolarHBondContact O-CB 3.21Å; C915-Q919 PolarHBondContact O-N 2.85Å; C915-Y972 HydrophobicContact CB-CD1 4.42Å; C915-Y972 HydrophobicContact CB-CE1 3.82Å; C915-Y972 HydrophobicContact CB-CE2 4.43Å; C915-Y972 PolarHBondContact O-OH 2.95Å |
| 916 | D | 95.4 | Very high | 95.1 | Very high | 46 Ų | 46 | 30.7 Ų | 30.7 | 25% | 0.246 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.2 | -46.8 | 177.7 | -170.4 | 29.7 | 0 | 0 | 0 | 111 | Y913 F914 L918 Q919 H920 | Y913-D916 PolarHBondContact O-N 2.86Å; F914-D916 VanDerWaalsContact C-N 3.33Å; F914-D916 PolarHBondContact O-N 2.83Å; D916-L918 VanDerWaalsContact C-N 3.35Å; D916-L918 PolarHBondContact O-N 3.43Å; D916-Q919 PolarHBondContact O-N 3.17Å; D916-H920 PolarHBondContact O-CD2 3.25Å; D916-H920 PolarHBondContact O-N 3.29Å; D916-H920 IonicContact OD1-CD2 2.74Å; D916-H920 PolarHBondContact OD1-CD2 3Å; D916-H920 IonicContact OD1-NE2 3.78Å; D916-H920 PolarHBondContact OD1-NE2 3.12Å |
| 917 | I | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59 | -46.7 | 174 | -68 | 167.1 | 0 | 0 | 0 | 110.4 | L870 L892 L896 F909 Y913 Q919 H920 I921 M944 | L870-I917 HydrophobicContact CD1-CD1 4.13Å; L870-I917 HydrophobicContact CD1-CG1 4.31Å; L870-I917 HydrophobicContact CD2-CD1 4.3Å; L870-I917 HydrophobicContact CD2-CG1 4.31Å; L892-I917 HydrophobicContact CD1-CD1 4.25Å; L892-I917 HydrophobicContact CD1-CG2 4.15Å; L892-I917 HydrophobicContact CD2-CG2 3.96Å; L896-I917 HydrophobicContact CD2-CD1 4.29Å; F909-I917 HydrophobicContact CE1-CD1 4.07Å; F909-I917 HydrophobicContact CZ-CD1 3.7Å; Y913-I917 WeakPolarHBondContact O-CB 3.28Å; Y913-I917 VanDerWaalsContact O-CG1 3.28Å; Y913-I917 WeakPolarHBondContact O-CG1 3.37Å; Y913-I917 PolarHBondContact O-N 2.87Å; I917-Q919 PolarHBondContact O-N 3.24Å; I917-H920 PolarHBondContact O-N 3.19Å; I917-I921 HydrophobicContact CG2-CD1 3.67Å; I917-I921 HydrophobicContact CG2-CG1 4.26Å; I917-I921 WeakPolarHBondContact O-CG1 3.3Å; I917-I921 PolarHBondContact O-N 3.46Å; I917-M944 HydrophobicContact CB-CE 4.13Å; I917-M944 HydrophobicContact CG2-CE 3.81Å; I917-M944 HydrophobicContact CG2-SD 3.85Å |
| 918 | L | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.7 | -49.1 | 176.8 | -78.6 | 178.8 | 0 | 0 | 0 | 111.7 | F914 D916 H920 I921 F922 L941 M944 F945 V969 I973 | F914-L918 HydrophobicContact CD1-CD1 3.86Å; F914-L918 HydrophobicContact CD1-CG 4.46Å; F914-L918 HydrophobicContact CE1-CD1 3.45Å; F914-L918 VanDerWaalsContact CE1-CD1 3.45Å; F914-L918 HydrophobicContact CE1-CG 4.21Å; F914-L918 HydrophobicContact CZ-CD1 4.22Å; F914-L918 WeakPolarHBondContact O-CG 3.49Å; F914-L918 PolarHBondContact O-N 2.96Å; F914-L918 VanDerWaalsContact O-N 3.08Å; D916-L918 VanDerWaalsContact C-N 3.35Å; D916-L918 PolarHBondContact O-N 3.43Å; L918-H920 VanDerWaalsContact C-N 3.3Å; L918-H920 PolarHBondContact O-N 2.83Å; L918-I921 PolarHBondContact O-N 3.34Å; L918-F922 HydrophobicContact CD2-CE2 4.4Å; L918-F922 WeakPolarHBondContact O-CD2 3.45Å; L918-F922 PolarHBondContact O-N 3.48Å; L918-L941 HydrophobicContact CD2-CD2 3.71Å; L918-M944 HydrophobicContact CD2-CB 4.49Å; L918-M944 HydrophobicContact CD2-CE 3.74Å; L918-M944 HydrophobicContact CD2-SD 3.99Å; L918-M944 HydrophobicContact CG-CE 3.66Å; L918-F945 HydrophobicContact CD2-CZ 4.2Å; L918-V969 HydrophobicContact CD1-CG1 4.16Å; L918-I973 HydrophobicContact CD1-CD1 4.27Å |
| 919 | Q | 95.8 | Very high | 94.8 | Very high | 82 Ų | 82 | 35.2 Ų | 35.2 | 38% | 0.383 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.7 | -43.6 | 179.6 | 176.1 | 177.8 | -13 | 0 | 0 | 111.7 | C915 D916 I917 F922 S923 Y972 L976 | C915-Q919 WeakPolarHBondContact O-CB 3.21Å; C915-Q919 PolarHBondContact O-N 2.85Å; D916-Q919 PolarHBondContact O-N 3.17Å; I917-Q919 PolarHBondContact O-N 3.24Å; Q919-F922 PolarHBondContact O-N 3.49Å; Q919-S923 PolarHBondContact O-N 2.87Å; Q919-Y972 PolarHBondContact OE1-OH 3.41Å; Q919-L976 HydrophobicContact CB-CD2 4.09Å; Q919-L976 HydrophobicContact CG-CD1 4.03Å; Q919-L976 HydrophobicContact CG-CD2 4.16Å |
| 920 | H | 97.6 | Very high | 94.6 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 18% | 0.176 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.4 | -41.8 | 179 | -77.5 | -44.3 | 0 | 0 | 0 | 113.2 | I874 F877 K878 D916 I917 L918 F922 S923 V924 | I874-H920 HydrophobicContact CG1-CB 4.42Å; I874-H920 HydrophobicContact CG2-CB 3.9Å; F877-H920 HydrophobicContact CE2-CB 4.16Å; F877-H920 HydrophobicContact CZ-CB 3.87Å; K878-H920 PolarHBondContact NZ-CE1 2.86Å; K878-H920 PolarHBondContact NZ-ND1 3.47Å; K878-H920 VanDerWaalsContact NZ-ND1 3.13Å; D916-H920 PolarHBondContact O-CD2 3.25Å; D916-H920 PolarHBondContact O-N 3.29Å; D916-H920 IonicContact OD1-CD2 2.74Å; D916-H920 PolarHBondContact OD1-CD2 3Å; D916-H920 IonicContact OD1-NE2 3.78Å; D916-H920 PolarHBondContact OD1-NE2 3.12Å; I917-H920 PolarHBondContact O-N 3.19Å; L918-H920 VanDerWaalsContact C-N 3.3Å; L918-H920 PolarHBondContact O-N 2.83Å; H920-F922 VanDerWaalsContact C-N 3.33Å; H920-F922 PolarHBondContact O-N 3.24Å; H920-S923 PolarHBondContact O-N 2.87Å; H920-S923 PolarHBondContact O-OG 3.15Å; H920-V924 PolarHBondContact O-N 3.35Å |
| 921 | I | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | 173.6 | -65.4 | 168.4 | 0 | 0 | 0 | 109.9 | F877 L892 I917 L918 S923 V924 V925 I940 L941 M944 | F877-I921 HydrophobicContact CZ-CG1 4.44Å; L892-I921 HydrophobicContact CD2-CD1 3.92Å; L892-I921 HydrophobicContact CD2-CG1 4.15Å; I917-I921 HydrophobicContact CG2-CD1 3.67Å; I917-I921 HydrophobicContact CG2-CG1 4.26Å; I917-I921 WeakPolarHBondContact O-CG1 3.3Å; I917-I921 PolarHBondContact O-N 3.46Å; L918-I921 PolarHBondContact O-N 3.34Å; I921-S923 VanDerWaalsContact C-N 3.3Å; I921-S923 PolarHBondContact O-N 3.26Å; I921-V924 PolarHBondContact O-N 3.25Å; I921-V924 VanDerWaalsContact O-N 3.08Å; I921-V925 HydrophobicContact CG2-CG2 3.78Å; I921-V925 WeakPolarHBondContact O-CB 3.48Å; I921-V925 WeakPolarHBondContact O-CG2 3.3Å; I921-V925 PolarHBondContact O-N 3.4Å; I921-I940 HydrophobicContact CD1-CB 4.39Å; I921-I940 HydrophobicContact CD1-CG2 3.46Å; I921-I940 VanDerWaalsContact CD1-CG2 3.46Å; I921-L941 HydrophobicContact CB-CD2 4.3Å; I921-L941 HydrophobicContact CD1-CD2 4.38Å; I921-L941 HydrophobicContact CG2-CD1 4.06Å; I921-L941 HydrophobicContact CG2-CD2 3.78Å; I921-L941 HydrophobicContact CG2-CG 3.81Å; I921-M944 HydrophobicContact CD1-SD 3.93Å |
| 922 | F | 96.5 | Very high | 94 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.3 | -39.7 | 178.3 | -84.3 | -63.2 | 0 | 0 | 0 | 112.4 | L918 Q919 H920 V924 V925 T926 L941 F945 I973 L976 L977 F992 L996 | L918-F922 HydrophobicContact CD2-CE2 4.4Å; L918-F922 WeakPolarHBondContact O-CD2 3.45Å; L918-F922 PolarHBondContact O-N 3.48Å; Q919-F922 PolarHBondContact O-N 3.49Å; H920-F922 VanDerWaalsContact C-N 3.33Å; H920-F922 PolarHBondContact O-N 3.24Å; F922-V924 PolarHBondContact O-N 3.26Å; F922-V925 PolarHBondContact O-N 3.02Å; F922-T926 WeakPolarHBondContact O-CG2 3.41Å; F922-T926 PolarHBondContact O-N 2.99Å; F922-T926 PolarHBondContact O-OG1 3.25Å; F922-L941 HydrophobicContact CE1-CD1 4.23Å; F922-L941 HydrophobicContact CE2-CD2 4.22Å; F922-L941 HydrophobicContact CZ-CD1 4.32Å; F922-L941 HydrophobicContact CZ-CD2 4.24Å; F922-F945 HydrophobicContact CE2-CZ 4.38Å; F922-F945 HydrophobicContact CZ-CZ 4.24Å; F922-I973 HydrophobicContact CE2-CD1 3.97Å; F922-I973 HydrophobicContact CE2-CG1 4.05Å; F922-I973 HydrophobicContact CE2-CG2 3.92Å; F922-I973 HydrophobicContact CZ-CD1 4.41Å; F922-I973 HydrophobicContact CZ-CG2 4Å; F922-L976 HydrophobicContact CB-CD2 4.48Å; F922-L976 HydrophobicContact CD2-CD2 4.45Å; F922-L977 HydrophobicContact CD1-CD2 4.4Å; F922-F992 AromaticContact CE1-CE1 3.93Å; F922-F992 HydrophobicContact CE1-CE1 3.93Å; F922-F992 HydrophobicContact CE1-CZ 4.11Å; F922-L996 HydrophobicContact CE1-CD1 4.39Å; F922-L996 HydrophobicContact CZ-CD1 3.74Å |
| 923 | S | 95.6 | Very high | 93.8 | Very high | 52 Ų | 52 | 32.3 Ų | 32.3 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.9 | -34.7 | 176.2 | 72.7 | 0 | 0 | 0 | 0 | 113.1 | Q919 H920 I921 T926 | Q919-S923 PolarHBondContact O-N 2.87Å; H920-S923 PolarHBondContact O-N 2.87Å; H920-S923 PolarHBondContact O-OG 3.15Å; I921-S923 VanDerWaalsContact C-N 3.3Å; I921-S923 PolarHBondContact O-N 3.26Å; S923-T926 PolarHBondContact O-OG1 3.14Å |
| 924 | V | 95.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -85.8 | -37.8 | 179.7 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | F877 K878 H920 I921 F922 T926 D927 H930 | F877-V924 HydrophobicContact CD2-CB 4.49Å; F877-V924 HydrophobicContact CD2-CG2 3.87Å; F877-V924 HydrophobicContact CE2-CG2 3.96Å; K878-V924 HydrophobicContact CB-CG2 4.46Å; K878-V924 HydrophobicContact CG-CG2 3.57Å; H920-V924 PolarHBondContact O-N 3.35Å; I921-V924 PolarHBondContact O-N 3.25Å; I921-V924 VanDerWaalsContact O-N 3.08Å; F922-V924 PolarHBondContact O-N 3.26Å; V924-T926 PolarHBondContact O-N 3.35Å; V924-D927 PolarHBondContact O-N 3.06Å; V924-D927 VanDerWaalsContact O-N 3.13Å; V924-H930 HydrophobicContact CG1-CB 3.45Å; V924-H930 VanDerWaalsContact CG1-CB 3.45Å; V924-H930 VanDerWaalsContact CG1-CG 3.47Å |
| 925 | V | 94.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.5 | -36.8 | 174.5 | 167 | 0 | 0 | 0 | 0 | 111.4 | I921 F922 D927 H937 L941 L1010 L1014 | I921-V925 HydrophobicContact CG2-CG2 3.78Å; I921-V925 WeakPolarHBondContact O-CB 3.48Å; I921-V925 WeakPolarHBondContact O-CG2 3.3Å; I921-V925 PolarHBondContact O-N 3.4Å; F922-V925 PolarHBondContact O-N 3.02Å; V925-D927 VanDerWaalsContact C-N 3.34Å; V925-H937 HydrophobicContact CG2-CB 3.52Å; V925-L941 HydrophobicContact CG2-CD1 4.18Å; V925-L1010 HydrophobicContact CG1-CB 4.45Å; V925-L1010 HydrophobicContact CG1-CD1 4.2Å; V925-L1010 HydrophobicContact CG1-CD2 4.07Å; V925-L1010 HydrophobicContact CG1-CG 4.48Å; V925-L1014 WeakPolarHBondContact O-CD1 3.47Å; V925-L1014 VanDerWaalsContact O-CD2 3.24Å; V925-L1014 WeakPolarHBondContact O-CD2 3.45Å; V925-L1014 WeakPolarHBondContact O-CG 3.37Å |
| 926 | T | 94.6 | Very high | 93.6 | Very high | 25 Ų | 25 | 36 Ų | 36 | 15% | 0.153 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -5.6 | 179.8 | 58.9 | 0 | 0 | 0 | 0 | 114 | F922 S923 V924 F981 F1013 I1017 | F922-T926 WeakPolarHBondContact O-CG2 3.41Å; F922-T926 PolarHBondContact O-N 2.99Å; F922-T926 PolarHBondContact O-OG1 3.25Å; S923-T926 PolarHBondContact O-OG1 3.14Å; V924-T926 PolarHBondContact O-N 3.35Å; T926-F981 HydrophobicContact CG2-CE2 3.81Å; T926-F981 HydrophobicContact CG2-CZ 3.92Å; T926-F1013 HydrophobicContact CG2-CD1 4.46Å; T926-F1013 HydrophobicContact CG2-CE1 4.12Å; T926-I1017 HydrophobicContact CG2-CD1 4.07Å |
| 927 | D | 92.5 | Very high | 93.7 | Very high | 59 Ų | 59 | 34 Ų | 34 | 32% | 0.316 | 21% | 0.205 | S | C | . | . | trans | -87.9 | 127.6 | 175.1 | -171.5 | -16.9 | 0 | 0 | 0 | 110.4 | V924 V925 S929 H930 | V924-D927 PolarHBondContact O-N 3.06Å; V924-D927 VanDerWaalsContact O-N 3.13Å; V925-D927 VanDerWaalsContact C-N 3.34Å; D927-S929 PolarHBondContact O-N 3.39Å; D927-S929 VanDerWaalsContact OD1-CB 3.28Å; D927-S929 WeakPolarHBondContact OD1-CB 3.49Å; D927-S929 PolarHBondContact OD1-N 3.33Å; D927-S929 PolarHBondContact OD1-OG 3.33Å; D927-H930 PolarHBondContact O-N 2.92Å; D927-H930 IonicContact OD2-CE1 3.58Å; D927-H930 PolarHBondContact OD2-CE1 2.97Å; D927-H930 VanDerWaalsContact OD2-CE1 3.31Å; D927-H930 IonicContact OD2-ND1 3.74Å; D927-H930 PolarHBondContact OD2-ND1 2.82Å | ||
| 928 | T | 89.4 | Confident | 93.7 | Very high | 74 Ų | 74 | 34 Ų | 34 | 45% | 0.454 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -65.1 | -20.9 | 178.3 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | H930 T931 K1018 | T928-H930 VanDerWaalsContact C-N 3.26Å; T928-H930 PolarHBondContact O-N 3.39Å; T928-T931 WeakPolarHBondContact O-CG2 3.34Å; T928-T931 PolarHBondContact O-OG1 2.97Å; T928-K1018 VanDerWaalsContact CG2-NZ 3.26Å |
| 929 | S | 89.4 | Confident | 93.7 | Very high | 81 Ų | 81 | 34.9 Ų | 34.9 | 57% | 0.566 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -73.1 | -17.7 | -178.9 | -46.1 | 0 | 0 | 0 | 0 | 112.9 | D927 | D927-S929 PolarHBondContact O-N 3.39Å; D927-S929 VanDerWaalsContact OD1-CB 3.28Å; D927-S929 WeakPolarHBondContact OD1-CB 3.49Å; D927-S929 PolarHBondContact OD1-N 3.33Å; D927-S929 PolarHBondContact OD1-OG 3.33Å |
| 930 | H | 91.8 | Very high | 93.8 | Very high | 19 Ų | 19 | 31 Ų | 31 | 9% | 0.088 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -114.3 | 16.9 | -174.2 | -54.2 | 85.4 | 0 | 0 | 0 | 113.7 | K878 H879 V924 D927 T928 A932 G933 H937 | K878-H930 PolarHBondContact O-NE2 2.92Å; H879-H930 PolarHBondContact O-CD2 3.39Å; H879-H930 PolarHBondContact O-NE2 3.18Å; V924-H930 HydrophobicContact CG1-CB 3.45Å; V924-H930 VanDerWaalsContact CG1-CB 3.45Å; V924-H930 VanDerWaalsContact CG1-CG 3.47Å; D927-H930 PolarHBondContact O-N 2.92Å; D927-H930 IonicContact OD2-CE1 3.58Å; D927-H930 PolarHBondContact OD2-CE1 2.97Å; D927-H930 VanDerWaalsContact OD2-CE1 3.31Å; D927-H930 IonicContact OD2-ND1 3.74Å; D927-H930 PolarHBondContact OD2-ND1 2.82Å; T928-H930 VanDerWaalsContact C-N 3.26Å; T928-H930 PolarHBondContact O-N 3.39Å; H930-A932 PolarHBondContact O-N 3.4Å; H930-A932 VanDerWaalsContact O-N 3.12Å; H930-G933 PolarHBondContact O-N 3.23Å; H930-H937 PolarHBondContact O-CE1 2.86Å |
| 931 | T | 89.1 | Confident | 93.8 | Very high | 77 Ų | 77 | 29.2 Ų | 29.2 | 47% | 0.472 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -60.4 | -22.7 | 179.2 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | T928 G933 L934 L1014 | T928-T931 WeakPolarHBondContact O-CG2 3.34Å; T928-T931 PolarHBondContact O-OG1 2.97Å; T931-G933 PolarHBondContact O-N 3.24Å; T931-L934 VanDerWaalsContact O-CB 3.28Å; T931-L934 WeakPolarHBondContact O-CB 3.46Å; T931-L934 PolarHBondContact O-N 3.27Å; T931-L1014 HydrophobicContact CG2-CD1 4.23Å |
| 932 | A | 84 | Confident | 93.8 | Very high | 56 Ų | 56 | 29.3 Ų | 29.3 | 46% | 0.463 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -61.8 | -29.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | H930 | H930-A932 PolarHBondContact O-N 3.4Å; H930-A932 VanDerWaalsContact O-N 3.12Å |
| 933 | G | 90.4 | Very high | 93.8 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 6% | 0.062 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -87.3 | 2.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | H930 T931 T935 M936 H937 | H930-G933 PolarHBondContact O-N 3.23Å; T931-G933 PolarHBondContact O-N 3.24Å; G933-T935 PolarHBondContact O-N 3.29Å; G933-T935 VanDerWaalsContact O-N 3.09Å; G933-M936 PolarHBondContact O-N 2.9Å; G933-H937 PolarHBondContact O-N 2.59Å |
| 934 | L | 92.3 | Very high | 93.9 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.5 | -33.7 | -169.6 | -168.8 | 67.7 | 0 | 0 | 0 | 113.8 | T931 H937 A938 K1007 L1010 R1011 L1014 | T931-L934 VanDerWaalsContact O-CB 3.28Å; T931-L934 WeakPolarHBondContact O-CB 3.46Å; T931-L934 PolarHBondContact O-N 3.27Å; L934-H937 PolarHBondContact O-N 3.44Å; L934-A938 WeakPolarHBondContact O-CB 3.32Å; L934-A938 PolarHBondContact O-N 3.19Å; L934-K1007 HydrophobicContact CD2-CG 3.78Å; L934-K1007 HydrophobicContact CG-CG 3.82Å; L934-L1010 HydrophobicContact CD1-CB 3.88Å; L934-L1010 HydrophobicContact CD1-CD1 4.01Å; L934-R1011 HydrophobicContact CD2-CB 4.3Å; L934-L1014 HydrophobicContact CD1-CD1 4.39Å |
| 935 | T | 94.2 | Very high | 93.9 | Very high | 78 Ų | 78 | 28.5 Ų | 28.5 | 48% | 0.479 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.9 | -49.6 | 174.5 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | G933 A938 T939 | G933-T935 PolarHBondContact O-N 3.29Å; G933-T935 VanDerWaalsContact O-N 3.09Å; T935-A938 PolarHBondContact O-N 2.96Å; T935-T939 PolarHBondContact O-N 3.42Å; T935-T939 PolarHBondContact O-OG1 3.35Å |
| 936 | M | 96.1 | Very high | 93.8 | Very high | 43 Ų | 43 | 29.4 Ų | 29.4 | 21% | 0.212 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.4 | -35.2 | 179.1 | -77.2 | -56.3 | -57.8 | 0 | 0 | 112.1 | L889 Q890 Y893 G933 A938 T939 I940 | L889-M936 HydrophobicContact CB-CB 3.96Å; L889-M936 HydrophobicContact CB-CG 4.46Å; L889-M936 HydrophobicContact CD1-CB 3.78Å; L889-M936 HydrophobicContact CG-CB 4.44Å; Q890-M936 HydrophobicContact CG-CE 4.39Å; Y893-M936 HydrophobicContact CG-CE 4.34Å; G933-M936 PolarHBondContact O-N 2.9Å; M936-A938 VanDerWaalsContact C-N 3.35Å; M936-A938 PolarHBondContact O-N 3.47Å; M936-T939 PolarHBondContact O-N 2.97Å; M936-I940 HydrophobicContact CE-CD1 4.43Å; M936-I940 HydrophobicContact CE-CG1 4.48Å; M936-I940 VanDerWaalsContact O-CG1 3.28Å; M936-I940 WeakPolarHBondContact O-CG1 3.06Å; M936-I940 PolarHBondContact O-N 2.65Å |
| 937 | H | 96.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.5 | -47.7 | 171.9 | -59.7 | 160.8 | 0 | 0 | 0 | 111.7 | L889 V925 H930 G933 L934 I940 L941 L1010 | L889-H937 WeakPolarHBondContact CD1-NE2 3.49Å; V925-H937 HydrophobicContact CG2-CB 3.52Å; H930-H937 PolarHBondContact O-CE1 2.86Å; G933-H937 PolarHBondContact O-N 2.59Å; L934-H937 PolarHBondContact O-N 3.44Å; H937-I940 PolarHBondContact O-N 3.11Å; H937-L941 WeakPolarHBondContact O-CB 3.33Å; H937-L941 WeakPolarHBondContact O-CG 3.45Å; H937-L941 PolarHBondContact O-N 3.13Å; H937-L1010 HydrophobicContact CB-CD1 4.42Å |
| 938 | A | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.3 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L934 T935 M936 I940 A942 I1003 F1006 K1007 L1010 | L934-A938 WeakPolarHBondContact O-CB 3.32Å; L934-A938 PolarHBondContact O-N 3.19Å; T935-A938 PolarHBondContact O-N 2.96Å; M936-A938 VanDerWaalsContact C-N 3.35Å; M936-A938 PolarHBondContact O-N 3.47Å; A938-I940 PolarHBondContact O-N 3.4Å; A938-A942 WeakPolarHBondContact O-CB 3.28Å; A938-A942 PolarHBondContact O-N 3.46Å; A938-I1003 HydrophobicContact CB-CG2 4.23Å; A938-F1006 HydrophobicContact CB-CB 4.48Å; A938-F1006 HydrophobicContact CB-CD1 3.84Å; A938-F1006 HydrophobicContact CB-CG 4.5Å; A938-K1007 HydrophobicContact CB-CB 3.98Å; A938-L1010 HydrophobicContact CB-CD1 4.08Å |
| 939 | T | 97.3 | Very high | 93.6 | Very high | 20 Ų | 20 | 25.2 Ų | 25.2 | 12% | 0.123 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | Y893 T935 M936 Y943 I1003 | Y893-T939 HydrophobicContact CD2-CG2 4.23Å; Y893-T939 HydrophobicContact CE1-CG2 4.39Å; Y893-T939 HydrophobicContact CE2-CG2 3.78Å; T935-T939 PolarHBondContact O-N 3.42Å; T935-T939 PolarHBondContact O-OG1 3.35Å; M936-T939 PolarHBondContact O-N 2.97Å; T939-Y943 VanDerWaalsContact O-CB 3.32Å; T939-Y943 WeakPolarHBondContact O-CB 3.45Å; T939-Y943 PolarHBondContact O-N 2.82Å; T939-I1003 HydrophobicContact CG2-CD1 4.31Å |
| 940 | I | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.5 | -47 | -178.3 | -64.8 | 162.3 | 0 | 0 | 0 | 110.8 | L889 L892 Y893 L896 I921 M936 H937 A938 Y943 M944 | L889-I940 HydrophobicContact CB-CD1 4.06Å; L889-I940 HydrophobicContact CD2-CD1 3.86Å; L889-I940 WeakPolarHBondContact O-CD1 3.31Å; L892-I940 HydrophobicContact CD2-CD1 4.3Å; L892-I940 HydrophobicContact CD2-CG2 4.29Å; Y893-I940 HydrophobicContact CD2-CG1 4.01Å; Y893-I940 HydrophobicContact CG-CG1 4.35Å; L896-I940 HydrophobicContact CD1-CG2 3.82Å; I921-I940 HydrophobicContact CD1-CB 4.39Å; I921-I940 HydrophobicContact CD1-CG2 3.46Å; I921-I940 VanDerWaalsContact CD1-CG2 3.46Å; M936-I940 HydrophobicContact CE-CD1 4.43Å; M936-I940 HydrophobicContact CE-CG1 4.48Å; M936-I940 VanDerWaalsContact O-CG1 3.28Å; M936-I940 WeakPolarHBondContact O-CG1 3.06Å; M936-I940 PolarHBondContact O-N 2.65Å; H937-I940 PolarHBondContact O-N 3.11Å; A938-I940 PolarHBondContact O-N 3.4Å; I940-Y943 PolarHBondContact O-N 3.31Å; I940-M944 HydrophobicContact CG2-CG 4.36Å; I940-M944 HydrophobicContact CG2-SD 3.95Å; I940-M944 VanDerWaalsContact O-CG 3.31Å; I940-M944 WeakPolarHBondContact O-CG 3.22Å; I940-M944 PolarHBondContact O-N 2.88Å |
| 941 | L | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -49 | 178.5 | -73.1 | 176.7 | 0 | 0 | 0 | 111 | L918 I921 F922 V925 H937 Y943 M944 F945 F1006 L1010 | L918-L941 HydrophobicContact CD2-CD2 3.71Å; I921-L941 HydrophobicContact CB-CD2 4.3Å; I921-L941 HydrophobicContact CD1-CD2 4.38Å; I921-L941 HydrophobicContact CG2-CD1 4.06Å; I921-L941 HydrophobicContact CG2-CD2 3.78Å; I921-L941 HydrophobicContact CG2-CG 3.81Å; F922-L941 HydrophobicContact CE1-CD1 4.23Å; F922-L941 HydrophobicContact CE2-CD2 4.22Å; F922-L941 HydrophobicContact CZ-CD1 4.32Å; F922-L941 HydrophobicContact CZ-CD2 4.24Å; V925-L941 HydrophobicContact CG2-CD1 4.18Å; H937-L941 WeakPolarHBondContact O-CB 3.33Å; H937-L941 WeakPolarHBondContact O-CG 3.45Å; H937-L941 PolarHBondContact O-N 3.13Å; L941-Y943 VanDerWaalsContact C-N 3.3Å; L941-Y943 PolarHBondContact O-N 2.92Å; L941-M944 PolarHBondContact O-N 3.49Å; L941-M944 VanDerWaalsContact O-N 3.14Å; L941-F945 HydrophobicContact CB-CD2 4.2Å; L941-F945 HydrophobicContact CB-CE2 3.94Å; L941-F945 HydrophobicContact CD2-CE2 4.05Å; L941-F945 HydrophobicContact CG-CE2 4.49Å; L941-F945 WeakPolarHBondContact O-CD2 3.4Å; L941-F945 PolarHBondContact O-N 3.37Å; L941-F1006 HydrophobicContact CB-CE1 3.75Å; L941-F1006 HydrophobicContact CB-CZ 3.65Å; L941-F1006 HydrophobicContact CD1-CE1 4.15Å; L941-L1010 HydrophobicContact CD1-CD1 4.14Å; L941-L1010 HydrophobicContact CD1-CD2 4.16Å |
| 942 | A | 96.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.2 | -46.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A938 F945 N946 N1000 F1006 | A938-A942 WeakPolarHBondContact O-CB 3.28Å; A938-A942 PolarHBondContact O-N 3.46Å; A942-F945 PolarHBondContact O-N 3.31Å; A942-N946 VanDerWaalsContact O-CB 3.32Å; A942-N946 WeakPolarHBondContact O-CB 3.21Å; A942-N946 PolarHBondContact O-N 3.15Å; A942-N1000 HydrophobicContact CB-CB 4.43Å; A942-N1000 WeakPolarHBondContact CB-O 3.42Å; A942-F1006 HydrophobicContact CB-CD2 4.01Å; A942-F1006 HydrophobicContact CB-CE2 4.12Å; A942-F1006 HydrophobicContact CB-CG 4.45Å |
| 943 | Y | 96.7 | Very high | 93 | Very high | 42 Ų | 42 | 25.4 Ų | 25.4 | 17% | 0.165 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.7 | -48.9 | 175 | 179.9 | -99.8 | 0 | 0 | 0 | 112.5 | Y893 L896 Q897 S900 T939 I940 L941 F945 N946 L947 | Y893-Y943 HydrophobicContact CE2-CD1 4.44Å; Y893-Y943 HydrophobicContact CE2-CD2 4.3Å; Y893-Y943 AromaticContact CE2-CG 3.98Å; Y893-Y943 HydrophobicContact CE2-CG 3.98Å; L896-Y943 HydrophobicContact CB-CD1 4.25Å; L896-Y943 HydrophobicContact CB-CE1 3.82Å; Q897-Y943 HydrophobicContact CG-CE2 4.41Å; S900-Y943 VanDerWaalsContact CB-OH 3.28Å; S900-Y943 WeakPolarHBondContact CB-OH 3.47Å; T939-Y943 VanDerWaalsContact O-CB 3.32Å; T939-Y943 WeakPolarHBondContact O-CB 3.45Å; T939-Y943 PolarHBondContact O-N 2.82Å; I940-Y943 PolarHBondContact O-N 3.31Å; L941-Y943 VanDerWaalsContact C-N 3.3Å; L941-Y943 PolarHBondContact O-N 2.92Å; Y943-F945 PolarHBondContact O-N 3.45Å; Y943-N946 PolarHBondContact O-N 3.29Å; Y943-L947 HydrophobicContact CD1-CD1 4.02Å; Y943-L947 HydrophobicContact CD1-CG 4.37Å; Y943-L947 HydrophobicContact CE1-CD1 3.48Å; Y943-L947 VanDerWaalsContact CE1-CD1 3.48Å; Y943-L947 HydrophobicContact CE1-CD2 4.43Å; Y943-L947 HydrophobicContact CE1-CG 3.99Å; Y943-L947 WeakPolarHBondContact O-CG 3.34Å; Y943-L947 PolarHBondContact O-N 3.4Å |
| 944 | M | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -40.3 | 179.4 | -70.6 | 179.9 | 75 | 0 | 0 | 112.8 | L896 F914 I917 L918 I921 I940 L941 L947 V948 | L896-M944 HydrophobicContact CD1-CG 3.85Å; L896-M944 HydrophobicContact CD1-SD 4.01Å; F914-M944 HydrophobicContact CD2-CE 3.77Å; F914-M944 HydrophobicContact CE2-CB 4.04Å; F914-M944 HydrophobicContact CE2-CE 3.71Å; F914-M944 HydrophobicContact CE2-CG 4.39Å; F914-M944 HydrophobicContact CG-CE 4.21Å; F914-M944 HydrophobicContact CZ-CB 4.11Å; F914-M944 HydrophobicContact CZ-CE 4.08Å; I917-M944 HydrophobicContact CB-CE 4.13Å; I917-M944 HydrophobicContact CG2-CE 3.81Å; I917-M944 HydrophobicContact CG2-SD 3.85Å; L918-M944 HydrophobicContact CD2-CB 4.49Å; L918-M944 HydrophobicContact CD2-CE 3.74Å; L918-M944 HydrophobicContact CD2-SD 3.99Å; L918-M944 HydrophobicContact CG-CE 3.66Å; I921-M944 HydrophobicContact CD1-SD 3.93Å; I940-M944 HydrophobicContact CG2-CG 4.36Å; I940-M944 HydrophobicContact CG2-SD 3.95Å; I940-M944 VanDerWaalsContact O-CG 3.31Å; I940-M944 WeakPolarHBondContact O-CG 3.22Å; I940-M944 PolarHBondContact O-N 2.88Å; L941-M944 PolarHBondContact O-N 3.49Å; L941-M944 VanDerWaalsContact O-N 3.14Å; M944-L947 PolarHBondContact O-N 2.84Å; M944-V948 PolarHBondContact O-N 2.68Å |
| 945 | F | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.1 | -39 | 177 | -72.1 | -62.9 | 0 | 0 | 0 | 112.2 | L918 F922 L941 A942 Y943 V948 E949 V969 I973 L996 F997 N1000 F1006 | L918-F945 HydrophobicContact CD2-CZ 4.2Å; F922-F945 HydrophobicContact CE2-CZ 4.38Å; F922-F945 HydrophobicContact CZ-CZ 4.24Å; L941-F945 HydrophobicContact CB-CD2 4.2Å; L941-F945 HydrophobicContact CB-CE2 3.94Å; L941-F945 HydrophobicContact CD2-CE2 4.05Å; L941-F945 HydrophobicContact CG-CE2 4.49Å; L941-F945 WeakPolarHBondContact O-CD2 3.4Å; L941-F945 PolarHBondContact O-N 3.37Å; A942-F945 PolarHBondContact O-N 3.31Å; Y943-F945 PolarHBondContact O-N 3.45Å; F945-V948 PolarHBondContact O-N 3.12Å; F945-E949 PolarHBondContact O-N 3.06Å; F945-V969 HydrophobicContact CD1-CG1 4.36Å; F945-V969 HydrophobicContact CE1-CG1 3.85Å; F945-I973 HydrophobicContact CE1-CD1 3.35Å; F945-I973 HydrophobicContact CZ-CD1 3.39Å; F945-L996 HydrophobicContact CD1-CB 4.49Å; F945-L996 HydrophobicContact CD2-CB 3.94Å; F945-L996 HydrophobicContact CE1-CB 4.32Å; F945-L996 HydrophobicContact CE1-CD1 4.35Å; F945-L996 HydrophobicContact CE2-CB 3.78Å; F945-L996 HydrophobicContact CE2-CD1 3.92Å; F945-L996 HydrophobicContact CE2-CD2 4.17Å; F945-L996 HydrophobicContact CE2-CG 4.17Å; F945-L996 HydrophobicContact CG-CB 4.35Å; F945-L996 HydrophobicContact CZ-CB 4.01Å; F945-L996 HydrophobicContact CZ-CD1 3.65Å; F945-L996 HydrophobicContact CZ-CG 4.33Å; F945-F997 HydrophobicContact CB-CD1 4.39Å; F945-F997 HydrophobicContact CB-CE1 4.37Å; F945-F997 HydrophobicContact CD1-CD1 4.42Å; F945-F997 HydrophobicContact CD1-CD2 4.31Å; F945-F997 AromaticContact CD1-CE1 3.89Å; F945-F997 HydrophobicContact CD1-CE1 3.89Å; F945-F997 AromaticContact CD1-CE2 3.77Å; F945-F997 HydrophobicContact CD1-CE2 3.77Å; F945-F997 AromaticContact CD1-CZ 3.55Å; F945-F997 HydrophobicContact CD1-CZ 3.55Å; F945-F997 HydrophobicContact CE1-CE2 4.05Å; F945-F997 HydrophobicContact CE1-CZ 4.1Å; F945-N1000 HydrophobicContact CB-CB 4.13Å; F945-F1006 HydrophobicContact CD2-CE2 4.2Å; F945-F1006 AromaticContact CD2-CZ 3.96Å; F945-F1006 HydrophobicContact CD2-CZ 3.96Å; F945-F1006 HydrophobicContact CE2-CZ 4.15Å |
| 946 | N | 93.3 | Very high | 92 | Very high | 22 Ų | 22 | 28.3 Ų | 28.3 | 12% | 0.118 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.1 | -36.7 | 175.2 | 171.9 | -100.3 | 0 | 0 | 0 | 112 | A942 Y943 V948 E949 E950 N1000 | A942-N946 VanDerWaalsContact O-CB 3.32Å; A942-N946 WeakPolarHBondContact O-CB 3.21Å; A942-N946 PolarHBondContact O-N 3.15Å; Y943-N946 PolarHBondContact O-N 3.29Å; N946-V948 VanDerWaalsContact C-N 3.28Å; N946-V948 PolarHBondContact O-N 2.99Å; N946-E949 PolarHBondContact O-N 3.15Å; N946-E950 PolarHBondContact ND2-OE1 2.88Å; N946-E950 WeakPolarHBondContact O-CG 3.45Å; N946-E950 PolarHBondContact O-N 3.34Å; N946-E950 PolarHBondContact OD1-OE1 2.71Å; N946-E950 VanDerWaalsContact OD1-OE1 3.11Å; N946-N1000 WeakPolarHBondContact CA-ND2 3.32Å; N946-N1000 HydrophobicContact CB-CB 4.48Å; N946-N1000 PolarHBondContact N-ND2 2.93Å |
| 947 | L | 92.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.3 | -37.1 | 173.3 | -76 | -179.7 | 0 | 0 | 0 | 113.5 | Y910 Y943 M944 K952 V953 | Y910-L947 HydrophobicContact CE1-CD1 4.3Å; Y943-L947 HydrophobicContact CD1-CD1 4.02Å; Y943-L947 HydrophobicContact CD1-CG 4.37Å; Y943-L947 HydrophobicContact CE1-CD1 3.48Å; Y943-L947 VanDerWaalsContact CE1-CD1 3.48Å; Y943-L947 HydrophobicContact CE1-CD2 4.43Å; Y943-L947 HydrophobicContact CE1-CG 3.99Å; Y943-L947 WeakPolarHBondContact O-CG 3.34Å; Y943-L947 PolarHBondContact O-N 3.4Å; M944-L947 PolarHBondContact O-N 2.84Å; L947-K952 HydrophobicContact CD2-CB 4.01Å; L947-K952 HydrophobicContact CD2-CD 3.48Å; L947-K952 VanDerWaalsContact CD2-CD 3.48Å; L947-K952 HydrophobicContact CD2-CG 4.39Å; L947-K952 PolarHBondContact O-N 3.48Å; L947-V953 HydrophobicContact CB-CG2 4.29Å; L947-V953 PolarHBondContact O-N 3.35Å |
| 948 | V | 91.8 | Very high | 90.4 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 6% | 0.055 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.1 | -38.9 | 178.7 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | F914 M944 F945 N946 G951 V953 N965 Q966 V969 F997 | F914-V948 HydrophobicContact CE1-CG2 3.85Å; F914-V948 HydrophobicContact CE2-CG2 4.09Å; F914-V948 HydrophobicContact CZ-CG2 3.35Å; M944-V948 PolarHBondContact O-N 2.68Å; F945-V948 PolarHBondContact O-N 3.12Å; N946-V948 VanDerWaalsContact C-N 3.28Å; N946-V948 PolarHBondContact O-N 2.99Å; V948-G951 PolarHBondContact O-N 2.89Å; V948-V953 HydrophobicContact CG2-CG2 4.16Å; V948-N965 HydrophobicContact CG1-CB 4.07Å; V948-Q966 HydrophobicContact CG1-CB 4.16Å; V948-V969 HydrophobicContact CG2-CG2 4.4Å; V948-F997 HydrophobicContact CG1-CE1 4.45Å |
| 949 | E | 87.4 | Confident | 89 | Confident | 60 Ų | 60 | 35 Ų | 35 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -73.5 | -38.1 | -177.9 | -171.1 | -179.5 | -158.7 | 0 | 0 | 113 | F945 N946 G951 N1000 K1044 | F945-E949 PolarHBondContact O-N 3.06Å; N946-E949 PolarHBondContact O-N 3.15Å; E949-G951 PolarHBondContact O-N 3.44Å; E949-G951 VanDerWaalsContact O-N 3.16Å; E949-N1000 PolarHBondContact OE2-ND2 3.01Å; E949-K1044 IonicContact OE1-NZ 3.98Å; E949-K1044 PolarHBondContact OE1-NZ 3.44Å; E949-K1044 IonicContact OE2-NZ 2.87Å; E949-K1044 PolarHBondContact OE2-NZ 3.31Å |
| 950 | E | 85.1 | Confident | 87.4 | Confident | 93 Ų | 93 | 39 Ų | 39 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 2.4 | 175.7 | -69.1 | -178.5 | 180 | 0 | 0 | 113.3 | N946 K952 | N946-E950 PolarHBondContact ND2-OE1 2.88Å; N946-E950 WeakPolarHBondContact O-CG 3.45Å; N946-E950 PolarHBondContact O-N 3.34Å; N946-E950 PolarHBondContact OD1-OE1 2.71Å; N946-E950 VanDerWaalsContact OD1-OE1 3.11Å; E950-K952 HydrophobicContact CB-CG 4.43Å; E950-K952 PolarHBondContact O-N 2.86Å; E950-K952 WeakPolarHBondContact OE2-CE 3.2Å; E950-K952 IonicContact OE2-NZ 3.64Å; E950-K952 PolarHBondContact OE2-NZ 3.5Å |
| 951 | G | 82.9 | Confident | 85.6 | Confident | 46 Ų | 46 | 42 Ų | 42 | 47% | 0.474 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 11.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V948 E949 V953 | V948-G951 PolarHBondContact O-N 2.89Å; E949-G951 PolarHBondContact O-N 3.44Å; E949-G951 VanDerWaalsContact O-N 3.16Å; G951-V953 PolarHBondContact O-N 2.98Å |
| 952 | K | 85.8 | Confident | 84 | Confident | 95 Ų | 95 | 46.1 Ų | 46.1 | 41% | 0.413 | 27% | 0.274 | S | S | . | . | trans | -66.3 | -27.9 | 175.9 | -76.5 | 175.7 | 174.5 | 150.7 | 0 | 112.2 | Q907 L947 E950 S954 | Q907-K952 PolarHBondContact NE2-O 3.04Å; L947-K952 HydrophobicContact CD2-CB 4.01Å; L947-K952 HydrophobicContact CD2-CD 3.48Å; L947-K952 VanDerWaalsContact CD2-CD 3.48Å; L947-K952 HydrophobicContact CD2-CG 4.39Å; L947-K952 PolarHBondContact O-N 3.48Å; E950-K952 HydrophobicContact CB-CG 4.43Å; E950-K952 PolarHBondContact O-N 2.86Å; E950-K952 WeakPolarHBondContact OE2-CE 3.2Å; E950-K952 IonicContact OE2-NZ 3.64Å; E950-K952 PolarHBondContact OE2-NZ 3.5Å; K952-S954 PolarHBondContact O-N 3.45Å | ||
| 953 | V | 88.1 | Confident | 82.5 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | trans | -88.1 | 90.7 | 166.2 | -171.8 | 0 | 0 | 0 | 0 | 108.2 | Y910 F914 L947 V948 G951 V955 L957 N965 | Y910-V953 HydrophobicContact CD2-CB 4.33Å; Y910-V953 HydrophobicContact CD2-CG1 4.24Å; Y910-V953 HydrophobicContact CD2-CG2 3.86Å; Y910-V953 HydrophobicContact CE2-CG2 4.19Å; Y910-V953 HydrophobicContact CG-CG1 4.33Å; Y910-V953 HydrophobicContact CG-CG2 4.07Å; F914-V953 HydrophobicContact CE2-CG2 4.46Å; L947-V953 HydrophobicContact CB-CG2 4.29Å; L947-V953 PolarHBondContact O-N 3.35Å; V948-V953 HydrophobicContact CG2-CG2 4.16Å; G951-V953 PolarHBondContact O-N 2.98Å; V953-V955 HydrophobicContact CG1-CG1 4.34Å; V953-L957 HydrophobicContact CG1-CD1 4.18Å; V953-L957 HydrophobicContact CG1-CD2 3.99Å; V953-L957 HydrophobicContact CG1-CG 4.08Å; V953-N965 PolarHBondContact O-ND2 3.27Å | ||
| 954 | S | 85.3 | Confident | 81.8 | Confident | 89 Ų | 89 | 54 Ų | 54 | 62% | 0.622 | 32% | 0.324 | S | S | * | . | trans | -93.6 | -23.8 | -177 | 58.3 | 0 | 0 | 0 | 0 | 113 | Q907 K952 | Q907-S954 PolarHBondContact OE1-OG 2.69Å; Q907-S954 VanDerWaalsContact OE1-OG 3.12Å; K952-S954 PolarHBondContact O-N 3.45Å | ||
| 955 | V | 85.6 | Confident | 81.3 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -66.9 | 140.4 | 173 | 68.5 | 0 | 0 | 0 | 0 | 111 | Q907 Q911 V953 L957 N965 | Q907-V955 HydrophobicContact CB-CB 4.19Å; Q907-V955 HydrophobicContact CB-CG1 4.31Å; Q907-V955 WeakPolarHBondContact O-CG1 3.1Å; Q911-V955 HydrophobicContact CB-CG1 3.98Å; Q911-V955 HydrophobicContact CB-CG2 4.09Å; Q911-V955 HydrophobicContact CG-CG2 4.19Å; V953-V955 HydrophobicContact CG1-CG1 4.34Å; V955-L957 PolarHBondContact O-N 3.42Å; V955-N965 PolarHBondContact O-ND2 2.71Å; V955-N965 PolarHBondContact O-OD1 3.27Å |
| 956 | A | 85.4 | Confident | 81 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 28% | 0.281 | 34% | 0.343 | S | S | . | . | trans | -66.7 | 118.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | S958 P962 | A956-S958 PolarHBondContact O-N 2.92Å; A956-P962 HydrophobicContact CB-CB 4.3Å | ||
| 957 | L | 84.3 | Confident | 80.8 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 13% | 0.131 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -74.9 | -15.4 | 176.9 | -66 | 179.3 | 0 | 0 | 0 | 112.9 | Y910 F914 V953 V955 N965 V969 | Y910-L957 WeakPolarHBondContact O-CD2 3.42Å; F914-L957 HydrophobicContact CB-CD2 4.34Å; F914-L957 HydrophobicContact CD1-CD1 3.88Å; F914-L957 HydrophobicContact CE1-CD1 4.28Å; F914-L957 HydrophobicContact CG-CD1 4.49Å; V953-L957 HydrophobicContact CG1-CD1 4.18Å; V953-L957 HydrophobicContact CG1-CD2 3.99Å; V953-L957 HydrophobicContact CG1-CG 4.08Å; V955-L957 PolarHBondContact O-N 3.42Å; L957-N965 PolarHBondContact N-OD1 3.05Å; L957-V969 HydrophobicContact CD1-CG2 3.77Å |
| 958 | S | 75.3 | Confident | 80.7 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 15% | 0.147 | 36% | 0.36 | C | S | . | . | trans | -133.6 | 148.2 | 177 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | A956 T960 H968 | A956-S958 PolarHBondContact O-N 2.92Å; S958-T960 VanDerWaalsContact C-N 3.32Å; S958-T960 PolarHBondContact OG-N 2.79Å; S958-T960 PolarHBondContact OG-OG1 3.29Å; S958-H968 VanDerWaalsContact CB-CE1 3.44Å; S958-H968 WeakPolarHBondContact CB-CE1 3.37Å | ||
| 959 | T | 66.7 | Low | 80.7 | Confident | 142 Ų | 142 | 60.9 Ų | 60.9 | 87% | 0.871 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -77.3 | -16.9 | 170.9 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 960 | T | 63.1 | Low | 80.8 | Confident | 104 Ų | 104 | 60.7 Ų | 60.7 | 64% | 0.638 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -91.3 | -33.8 | -174.9 | 56 | 0 | 0 | 0 | 0 | 114.3 | S958 | S958-T960 VanDerWaalsContact C-N 3.32Å; S958-T960 PolarHBondContact OG-N 2.79Å; S958-T960 PolarHBondContact OG-OG1 3.29Å |
| 961 | N | 62.1 | Low | 81.1 | Confident | 62 Ų | 62 | 60.5 Ų | 60.5 | 33% | 0.332 | 36% | 0.355 | S | S | . | . | trans | -129.2 | 75.2 | -178.9 | -77.5 | -20.6 | 0 | 0 | 0 | 110.6 | T963 | N961-T963 VanDerWaalsContact C-N 3.28Å; N961-T963 PolarHBondContact O-N 3.15Å | ||
| 962 | P | 62.7 | Low | 81.6 | Confident | 86 Ų | 86 | 61.2 Ų | 61.2 | 56% | 0.558 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -7.2 | -167 | 27.4 | -34 | 0 | 0 | 0 | 115.5 | A956 | A956-P962 HydrophobicContact CB-CB 4.3Š|
| 963 | T | 65.9 | Low | 82 | Confident | 138 Ų | 138 | 56.7 Ų | 56.7 | 85% | 0.847 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -11.1 | -168.5 | 53.3 | 0 | 0 | 0 | 0 | 115.4 | N961 | N961-T963 VanDerWaalsContact C-N 3.28Å; N961-T963 PolarHBondContact O-N 3.15Å |
| 964 | N | 82.4 | Confident | 82.3 | Confident | 74 Ų | 74 | 57.5 Ų | 57.5 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | trans | -147.6 | 99.3 | -179.7 | -170.3 | -23.9 | 0 | 0 | 0 | 112.4 | Q966 L967 H968 | N964-Q966 VanDerWaalsContact C-N 3.32Å; N964-Q966 PolarHBondContact O-N 2.59Å; N964-Q966 VanDerWaalsContact OD1-CB 3.31Å; N964-Q966 WeakPolarHBondContact OD1-CB 3.26Å; N964-Q966 PolarHBondContact OD1-N 3.08Å; N964-L967 HydrophobicContact CB-CB 4.16Å; N964-L967 PolarHBondContact O-N 3.16Å; N964-L967 PolarHBondContact OD1-N 3.06Å; N964-L967 VanDerWaalsContact OD1-N 3.12Å; N964-H968 PolarHBondContact O-N 3.22Å | ||
| 965 | N | 87.3 | Confident | 82.7 | Confident | 18 Ų | 18 | 57.6 Ų | 57.6 | 10% | 0.096 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.1 | -33.2 | 178.7 | -76.9 | -26.4 | 0 | 0 | 0 | 112.9 | V948 V953 V955 L957 H968 V969 | V948-N965 HydrophobicContact CG1-CB 4.07Å; V953-N965 PolarHBondContact O-ND2 3.27Å; V955-N965 PolarHBondContact O-ND2 2.71Å; V955-N965 PolarHBondContact O-OD1 3.27Å; L957-N965 PolarHBondContact N-OD1 3.05Å; N965-H968 PolarHBondContact O-N 3.26Å; N965-V969 WeakPolarHBondContact O-CB 3.46Å; N965-V969 VanDerWaalsContact O-CG2 3.28Å; N965-V969 WeakPolarHBondContact O-CG2 3.18Å; N965-V969 PolarHBondContact O-N 3Å |
| 966 | Q | 89.1 | Confident | 83.1 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 177.5 | -177 | 179.3 | 8.2 | 0 | 0 | 111 | V948 N964 H968 V969 Q970 F997 | V948-Q966 HydrophobicContact CG1-CB 4.16Å; N964-Q966 VanDerWaalsContact C-N 3.32Å; N964-Q966 PolarHBondContact O-N 2.59Å; N964-Q966 VanDerWaalsContact OD1-CB 3.31Å; N964-Q966 WeakPolarHBondContact OD1-CB 3.26Å; N964-Q966 PolarHBondContact OD1-N 3.08Å; Q966-H968 VanDerWaalsContact C-N 3.34Å; Q966-H968 PolarHBondContact O-N 3.4Å; Q966-V969 PolarHBondContact O-N 3.03Å; Q966-Q970 VanDerWaalsContact O-CG 3.3Å; Q966-Q970 WeakPolarHBondContact O-CG 3.27Å; Q966-Q970 PolarHBondContact O-N 3.34Å; Q966-F997 HydrophobicContact CG-CD1 4.1Å; Q966-F997 HydrophobicContact CG-CE1 3.69Å; Q966-F997 HydrophobicContact CG-CZ 3.98Å |
| 967 | L | 88.2 | Confident | 83.5 | Confident | 69 Ų | 69 | 56.5 Ų | 56.5 | 36% | 0.361 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 178.6 | -173.1 | 144.3 | 0 | 0 | 0 | 111.4 | N964 Q970 E971 | N964-L967 HydrophobicContact CB-CB 4.16Å; N964-L967 PolarHBondContact O-N 3.16Å; N964-L967 PolarHBondContact OD1-N 3.06Å; N964-L967 VanDerWaalsContact OD1-N 3.12Å; L967-Q970 PolarHBondContact O-N 2.68Å; L967-E971 HydrophobicContact CD2-CG 4.36Å; L967-E971 WeakPolarHBondContact CD2-OE1 3.49Å; L967-E971 WeakPolarHBondContact O-CG 3.36Å; L967-E971 PolarHBondContact O-N 3.12Å |
| 968 | H | 90.1 | Very high | 83.9 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 12% | 0.116 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.2 | -47 | 176.4 | 177.2 | 57.6 | 0 | 0 | 0 | 112.6 | S958 N964 N965 Q966 Q970 E971 Y972 | S958-H968 VanDerWaalsContact CB-CE1 3.44Å; S958-H968 WeakPolarHBondContact CB-CE1 3.37Å; N964-H968 PolarHBondContact O-N 3.22Å; N965-H968 PolarHBondContact O-N 3.26Å; Q966-H968 VanDerWaalsContact C-N 3.34Å; Q966-H968 PolarHBondContact O-N 3.4Å; H968-Q970 VanDerWaalsContact C-N 3.32Å; H968-Q970 PolarHBondContact O-N 2.76Å; H968-E971 PolarHBondContact O-N 3.02Å; H968-Y972 VanDerWaalsContact O-CB 3.31Å; H968-Y972 WeakPolarHBondContact O-CB 3.44Å; H968-Y972 PolarHBondContact O-N 3.24Å |
| 969 | V | 91.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 179.5 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | F914 L918 F945 V948 L957 N965 Q966 Y972 I973 F997 | F914-V969 HydrophobicContact CE1-CG2 3.94Å; L918-V969 HydrophobicContact CD1-CG1 4.16Å; F945-V969 HydrophobicContact CD1-CG1 4.36Å; F945-V969 HydrophobicContact CE1-CG1 3.85Å; V948-V969 HydrophobicContact CG2-CG2 4.4Å; L957-V969 HydrophobicContact CD1-CG2 3.77Å; N965-V969 WeakPolarHBondContact O-CB 3.46Å; N965-V969 VanDerWaalsContact O-CG2 3.28Å; N965-V969 WeakPolarHBondContact O-CG2 3.18Å; N965-V969 PolarHBondContact O-N 3Å; Q966-V969 PolarHBondContact O-N 3.03Å; V969-Y972 PolarHBondContact O-N 3.34Å; V969-I973 HydrophobicContact CG1-CD1 3.67Å; V969-I973 HydrophobicContact CG1-CG1 4.41Å; V969-I973 VanDerWaalsContact O-CG1 3.32Å; V969-I973 WeakPolarHBondContact O-CG1 3.27Å; V969-I973 PolarHBondContact O-N 3.42Å; V969-F997 HydrophobicContact CB-CZ 4.45Å; V969-F997 HydrophobicContact CG1-CZ 4.11Å |
| 970 | Q | 91.2 | Very high | 86 | Confident | 56 Ų | 56 | 61.4 Ų | 61.4 | 26% | 0.262 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60 | -50.1 | 174.5 | -73.8 | 178.1 | -15.9 | 0 | 0 | 111.9 | Q966 L967 H968 A974 V993 F997 | Q966-Q970 VanDerWaalsContact O-CG 3.3Å; Q966-Q970 WeakPolarHBondContact O-CG 3.27Å; Q966-Q970 PolarHBondContact O-N 3.34Å; L967-Q970 PolarHBondContact O-N 2.68Å; H968-Q970 VanDerWaalsContact C-N 3.32Å; H968-Q970 PolarHBondContact O-N 2.76Å; Q970-A974 VanDerWaalsContact O-CB 3.28Å; Q970-A974 WeakPolarHBondContact O-CB 3.27Å; Q970-A974 PolarHBondContact O-N 3.22Å; Q970-V993 HydrophobicContact CB-CG1 3.85Å; Q970-V993 HydrophobicContact CG-CG1 3.86Å; Q970-F997 HydrophobicContact CG-CD2 3.94Å; Q970-F997 HydrophobicContact CG-CE2 3.36Å; Q970-F997 HydrophobicContact CG-CZ 4.05Å |
| 971 | E | 91.3 | Very high | 87.5 | Confident | 89 Ų | 89 | 58.3 Ų | 58.3 | 42% | 0.416 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 178.2 | -71.3 | 179.2 | 165.7 | 0 | 0 | 112.2 | L967 H968 A974 N975 | L967-E971 HydrophobicContact CD2-CG 4.36Å; L967-E971 WeakPolarHBondContact CD2-OE1 3.49Å; L967-E971 WeakPolarHBondContact O-CG 3.36Å; L967-E971 PolarHBondContact O-N 3.12Å; H968-E971 PolarHBondContact O-N 3.02Å; E971-A974 PolarHBondContact O-N 2.82Å; E971-N975 WeakPolarHBondContact O-CB 3.35Å; E971-N975 VanDerWaalsContact O-CG 3.25Å; E971-N975 PolarHBondContact O-N 3.31Å; E971-N975 PolarHBondContact O-ND2 3.18Å; E971-N975 VanDerWaalsContact O-ND2 3.15Å |
| 972 | Y | 92.9 | Very high | 88.8 | Confident | 61 Ų | 61 | 60.6 Ų | 60.6 | 24% | 0.239 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60 | -51 | 178.3 | 177.2 | -102.5 | 0 | 0 | 0 | 111.6 | C915 Q919 H968 V969 N975 L976 | C915-Y972 HydrophobicContact CB-CD1 4.42Å; C915-Y972 HydrophobicContact CB-CE1 3.82Å; C915-Y972 HydrophobicContact CB-CE2 4.43Å; C915-Y972 PolarHBondContact O-OH 2.95Å; Q919-Y972 PolarHBondContact OE1-OH 3.41Å; H968-Y972 VanDerWaalsContact O-CB 3.31Å; H968-Y972 WeakPolarHBondContact O-CB 3.44Å; H968-Y972 PolarHBondContact O-N 3.24Å; V969-Y972 PolarHBondContact O-N 3.34Å; Y972-N975 PolarHBondContact O-N 3.02Å; Y972-L976 WeakPolarHBondContact O-CB 3.39Å; Y972-L976 PolarHBondContact O-N 3.47Å |
| 973 | I | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 179.9 | -64.4 | 165.8 | 0 | 0 | 0 | 110.5 | L918 F922 F945 V969 N975 L976 L977 V993 L996 | L918-I973 HydrophobicContact CD1-CD1 4.27Å; F922-I973 HydrophobicContact CE2-CD1 3.97Å; F922-I973 HydrophobicContact CE2-CG1 4.05Å; F922-I973 HydrophobicContact CE2-CG2 3.92Å; F922-I973 HydrophobicContact CZ-CD1 4.41Å; F922-I973 HydrophobicContact CZ-CG2 4Å; F945-I973 HydrophobicContact CE1-CD1 3.35Å; F945-I973 HydrophobicContact CZ-CD1 3.39Å; V969-I973 HydrophobicContact CG1-CD1 3.67Å; V969-I973 HydrophobicContact CG1-CG1 4.41Å; V969-I973 VanDerWaalsContact O-CG1 3.32Å; V969-I973 WeakPolarHBondContact O-CG1 3.27Å; V969-I973 PolarHBondContact O-N 3.42Å; I973-N975 VanDerWaalsContact C-N 3.29Å; I973-N975 PolarHBondContact O-N 3.01Å; I973-L976 PolarHBondContact O-N 2.88Å; I973-L977 HydrophobicContact CG2-CD1 3.67Å; I973-L977 HydrophobicContact CG2-CG 4.04Å; I973-L977 WeakPolarHBondContact O-CB 3.44Å; I973-L977 VanDerWaalsContact O-CG 3.28Å; I973-L977 WeakPolarHBondContact O-CG 3.5Å; I973-L977 PolarHBondContact O-N 3.29Å; I973-V993 HydrophobicContact CB-CG2 4.27Å; I973-V993 HydrophobicContact CG2-CG2 3.8Å; I973-L996 HydrophobicContact CD1-CD1 4.41Å; I973-L996 HydrophobicContact CG2-CD1 4.34Å |
| 974 | A | 94 | Very high | 91.1 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 17% | 0.174 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q970 E971 K978 V989 V993 | Q970-A974 VanDerWaalsContact O-CB 3.28Å; Q970-A974 WeakPolarHBondContact O-CB 3.27Å; Q970-A974 PolarHBondContact O-N 3.22Å; E971-A974 PolarHBondContact O-N 2.82Å; A974-K978 WeakPolarHBondContact O-CB 3.45Å; A974-K978 WeakPolarHBondContact O-CG 3.49Å; A974-K978 PolarHBondContact O-N 2.78Å; A974-V989 HydrophobicContact CB-CG1 3.81Å; A974-V993 HydrophobicContact CB-CG2 4.31Å |
| 975 | N | 94.1 | Very high | 91.4 | Very high | 92 Ų | 92 | 51.5 Ų | 51.5 | 49% | 0.492 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 176.7 | -71.3 | -28.9 | 0 | 0 | 0 | 112.3 | E971 Y972 I973 L977 K978 M979 | E971-N975 WeakPolarHBondContact O-CB 3.35Å; E971-N975 VanDerWaalsContact O-CG 3.25Å; E971-N975 PolarHBondContact O-N 3.31Å; E971-N975 PolarHBondContact O-ND2 3.18Å; E971-N975 VanDerWaalsContact O-ND2 3.15Å; Y972-N975 PolarHBondContact O-N 3.02Å; I973-N975 VanDerWaalsContact C-N 3.29Å; I973-N975 PolarHBondContact O-N 3.01Å; N975-L977 PolarHBondContact O-N 3Å; N975-K978 PolarHBondContact O-N 3.27Å; N975-M979 WeakPolarHBondContact O-CG 3.36Å; N975-M979 PolarHBondContact O-N 3.43Å |
| 976 | L | 94.1 | Very high | 91.5 | Very high | 36 Ų | 36 | 55.6 Ų | 55.6 | 19% | 0.188 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.2 | -48.7 | 176.5 | 177.4 | 66.3 | 0 | 0 | 0 | 111.2 | Q919 F922 Y972 I973 M979 A980 | Q919-L976 HydrophobicContact CB-CD2 4.09Å; Q919-L976 HydrophobicContact CG-CD1 4.03Å; Q919-L976 HydrophobicContact CG-CD2 4.16Å; F922-L976 HydrophobicContact CB-CD2 4.48Å; F922-L976 HydrophobicContact CD2-CD2 4.45Å; Y972-L976 WeakPolarHBondContact O-CB 3.39Å; Y972-L976 PolarHBondContact O-N 3.47Å; I973-L976 PolarHBondContact O-N 2.88Å; L976-M979 PolarHBondContact O-N 3.35Å; L976-A980 WeakPolarHBondContact O-CB 3.43Å; L976-A980 PolarHBondContact O-N 3.12Å |
| 977 | L | 93.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.4 | -37.8 | -179 | -65.3 | 175.3 | 0 | 0 | 0 | 112.2 | F922 I973 N975 A980 F981 V989 F992 V993 F1013 | F922-L977 HydrophobicContact CD1-CD2 4.4Å; I973-L977 HydrophobicContact CG2-CD1 3.67Å; I973-L977 HydrophobicContact CG2-CG 4.04Å; I973-L977 WeakPolarHBondContact O-CB 3.44Å; I973-L977 VanDerWaalsContact O-CG 3.28Å; I973-L977 WeakPolarHBondContact O-CG 3.5Å; I973-L977 PolarHBondContact O-N 3.29Å; N975-L977 PolarHBondContact O-N 3Å; L977-A980 PolarHBondContact O-N 3.37Å; L977-F981 PolarHBondContact O-N 2.99Å; L977-V989 HydrophobicContact CB-CG1 4.3Å; L977-F992 HydrophobicContact CD1-CD1 3.52Å; L977-F992 HydrophobicContact CD1-CE1 3.62Å; L977-V993 HydrophobicContact CD1-CG2 4.29Å; L977-F1013 HydrophobicContact CB-CZ 4.48Å; L977-F1013 HydrophobicContact CD1-CE1 4.37Å; L977-F1013 HydrophobicContact CD1-CZ 3.89Å; L977-F1013 HydrophobicContact CD2-CE1 3.92Å; L977-F1013 HydrophobicContact CD2-CZ 3.95Å; L977-F1013 HydrophobicContact CG-CZ 4.33Å |
| 978 | K | 93.2 | Very high | 91.4 | Very high | 70 Ų | 70 | 51.5 Ų | 51.5 | 30% | 0.304 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 174 | -78.1 | -170.5 | -170.7 | -171 | 0 | 112.8 | A974 N975 F981 P982 D986 V989 | A974-K978 WeakPolarHBondContact O-CB 3.45Å; A974-K978 WeakPolarHBondContact O-CG 3.49Å; A974-K978 PolarHBondContact O-N 2.78Å; N975-K978 PolarHBondContact O-N 3.27Å; K978-F981 CarbonylContact O-C 3.52Å; K978-P982 WeakPolarHBondContact O-CA 3.45Å; K978-D986 WeakPolarHBondContact CE-OD1 3.46Å; K978-D986 IonicContact NZ-OD1 2.7Å; K978-D986 PolarHBondContact NZ-OD1 2.99Å; K978-D986 IonicContact NZ-OD2 3.55Å; K978-D986 PolarHBondContact NZ-OD2 3.45Å; K978-V989 HydrophobicContact CG-CG2 4.17Å |
| 979 | M | 93.5 | Very high | 91.6 | Very high | 163 Ų | 163 | 50.3 Ų | 50.3 | 80% | 0.803 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -68.8 | -39.9 | 176.5 | -74.1 | -175.5 | 173.2 | 0 | 0 | 111.8 | N975 L976 | N975-M979 WeakPolarHBondContact O-CG 3.36Å; N975-M979 PolarHBondContact O-N 3.43Å; L976-M979 PolarHBondContact O-N 3.35Å |
| 980 | A | 92.2 | Very high | 91.5 | Very high | 58 Ų | 58 | 57.6 Ų | 57.6 | 48% | 0.479 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71.8 | -38.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L976 L977 | L976-A980 WeakPolarHBondContact O-CB 3.43Å; L976-A980 PolarHBondContact O-N 3.12Å; L977-A980 PolarHBondContact O-N 3.37Å |
| 981 | F | 93.3 | Very high | 91.5 | Very high | 39 Ų | 39 | 55.9 Ų | 55.9 | 17% | 0.171 | 30% | 0.296 | C | S | . | . | trans | -130.1 | 77.3 | -174.8 | -53 | -71.9 | 0 | 0 | 0 | 110.4 | T926 L977 K978 H983 L984 I1017 | T926-F981 HydrophobicContact CG2-CE2 3.81Å; T926-F981 HydrophobicContact CG2-CZ 3.92Å; L977-F981 PolarHBondContact O-N 2.99Å; K978-F981 CarbonylContact O-C 3.52Å; F981-H983 AromaticContact CD1-CE1 3.96Å; F981-H983 PolarHBondContact O-N 2.9Å; F981-H983 VanDerWaalsContact O-N 3.11Å; F981-L984 HydrophobicContact CB-CD1 3.63Å; F981-L984 HydrophobicContact CB-CG 3.75Å; F981-L984 HydrophobicContact CD2-CD1 4.37Å; F981-L984 HydrophobicContact CG-CD1 4.31Å; F981-L984 WeakPolarHBondContact O-CB 3.42Å; F981-L984 PolarHBondContact O-N 2.85Å; F981-L984 VanDerWaalsContact O-N 3.08Å; F981-I1017 HydrophobicContact CD1-CB 4.18Å; F981-I1017 HydrophobicContact CD1-CG2 4.4Å; F981-I1017 HydrophobicContact CD2-CG2 4.15Å; F981-I1017 HydrophobicContact CE1-CB 4.33Å; F981-I1017 HydrophobicContact CE1-CD1 4.11Å; F981-I1017 HydrophobicContact CE2-CG2 4.39Å; F981-I1017 HydrophobicContact CG-CB 4.41Å; F981-I1017 HydrophobicContact CG-CG2 4.16Å; F981-I1017 HydrophobicContact CZ-CD1 4.01Å | ||
| 982 | P | 91 | Very high | 91.7 | Very high | 110 Ų | 110 | 51.9 Ų | 51.9 | 71% | 0.714 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.6 | -173 | 28.2 | -36.4 | 0 | 0 | 0 | 113.7 | K978 L984 | K978-P982 WeakPolarHBondContact O-CA 3.45Å; P982-L984 VanDerWaalsContact C-N 3.34Å |
| 983 | H | 87.5 | Confident | 91.8 | Very high | 51 Ų | 51 | 49.2 Ų | 49.2 | 24% | 0.236 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -10.4 | 175.4 | 60.6 | -75.9 | 0 | 0 | 0 | 114 | F981 I1017 F1020 | F981-H983 AromaticContact CD1-CE1 3.96Å; F981-H983 PolarHBondContact O-N 2.9Å; F981-H983 VanDerWaalsContact O-N 3.11Å; H983-I1017 PolarHBondContact CE1-O 3.06Å; H983-I1017 PolarHBondContact NE2-O 2.76Å; H983-F1020 HydrophobicContact CB-CD1 3.49Å; H983-F1020 VanDerWaalsContact CB-CD1 3.49Å; H983-F1020 HydrophobicContact CB-CE1 3.41Å; H983-F1020 VanDerWaalsContact CB-CE1 3.41Å; H983-F1020 HydrophobicContact CB-CG 4.45Å; H983-F1020 HydrophobicContact CB-CZ 4.3Å; H983-F1020 AromaticContact CG-CE1 3.84Å |
| 984 | L | 89.6 | Confident | 91.7 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -74.9 | 143 | 173.7 | -65.7 | 179.7 | 0 | 0 | 0 | 110.8 | F981 P982 V989 F1013 I1017 | F981-L984 HydrophobicContact CB-CD1 3.63Å; F981-L984 HydrophobicContact CB-CG 3.75Å; F981-L984 HydrophobicContact CD2-CD1 4.37Å; F981-L984 HydrophobicContact CG-CD1 4.31Å; F981-L984 WeakPolarHBondContact O-CB 3.42Å; F981-L984 PolarHBondContact O-N 2.85Å; F981-L984 VanDerWaalsContact O-N 3.08Å; P982-L984 VanDerWaalsContact C-N 3.34Å; L984-V989 HydrophobicContact CB-CG2 4.02Å; L984-V989 HydrophobicContact CD1-CG2 4.15Å; L984-F1013 HydrophobicContact CD1-CE2 3.77Å; L984-F1013 HydrophobicContact CD1-CZ 3.7Å; L984-I1017 HydrophobicContact CD1-CG2 4Å; L984-I1017 HydrophobicContact CD2-CG2 4.34Å |
| 985 | Q | 87.6 | Confident | 91.7 | Very high | 46 Ų | 46 | 50.6 Ų | 50.6 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | trans | -81.9 | 154.6 | 172.9 | -61.5 | -164.6 | 9.1 | 0 | 0 | 113.2 | A987 Q988 V989 G1022 T1025 | Q985-A987 VanDerWaalsContact C-N 3.26Å; Q985-A987 PolarHBondContact O-N 3.36Å; Q985-Q988 HydrophobicContact CB-CG 4.36Å; Q985-Q988 WeakPolarHBondContact O-CB 3.4Å; Q985-Q988 PolarHBondContact O-N 3.26Å; Q985-Q988 VanDerWaalsContact O-N 3.08Å; Q985-V989 PolarHBondContact O-N 2.71Å; Q985-V989 VanDerWaalsContact O-N 3.14Å; Q985-G1022 PolarHBondContact NE2-O 3.4Å; Q985-T1025 VanDerWaalsContact NE2-CG2 3.34Å | ||
| 986 | D | 88.7 | Confident | 91.7 | Very high | 104 Ų | 104 | 46.2 Ų | 46.2 | 56% | 0.556 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -52.9 | -41.1 | 175.8 | -75.6 | 14.5 | 0 | 0 | 0 | 113.4 | K978 V989 K990 | K978-D986 WeakPolarHBondContact CE-OD1 3.46Å; K978-D986 IonicContact NZ-OD1 2.7Å; K978-D986 PolarHBondContact NZ-OD1 2.99Å; K978-D986 IonicContact NZ-OD2 3.55Å; K978-D986 PolarHBondContact NZ-OD2 3.45Å; D986-V989 PolarHBondContact O-N 3.43Å; D986-K990 WeakPolarHBondContact O-CB 3.34Å; D986-K990 PolarHBondContact O-N 2.85Å |
| 987 | A | 87.8 | Confident | 91.7 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 34% | 0.339 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.8 | -39.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q985 K990 V991 L1030 | Q985-A987 VanDerWaalsContact C-N 3.26Å; Q985-A987 PolarHBondContact O-N 3.36Å; A987-K990 PolarHBondContact O-N 3.09Å; A987-V991 WeakPolarHBondContact O-CG2 3.42Å; A987-V991 PolarHBondContact O-N 3.24Å; A987-L1030 HydrophobicContact CB-CD1 3.64Å |
| 988 | Q | 88.6 | Confident | 91.6 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -48.4 | 176.2 | -68 | 177 | -83.6 | 0 | 0 | 111 | Q985 K990 V991 F992 Q1016 L1028 | Q985-Q988 HydrophobicContact CB-CG 4.36Å; Q985-Q988 WeakPolarHBondContact O-CB 3.4Å; Q985-Q988 PolarHBondContact O-N 3.26Å; Q985-Q988 VanDerWaalsContact O-N 3.08Å; Q988-K990 VanDerWaalsContact C-N 3.34Å; Q988-K990 PolarHBondContact O-N 3.22Å; Q988-V991 PolarHBondContact O-N 3.3Å; Q988-F992 WeakPolarHBondContact O-CB 3.43Å; Q988-F992 PolarHBondContact O-N 3.41Å; Q988-Q1016 VanDerWaalsContact NE2-OE1 3.14Å; Q988-L1028 HydrophobicContact CG-CD1 3.58Å |
| 989 | V | 92.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.4 | -43.5 | 179.4 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | A974 L977 K978 L984 Q985 D986 F992 V993 | A974-V989 HydrophobicContact CB-CG1 3.81Å; L977-V989 HydrophobicContact CB-CG1 4.3Å; K978-V989 HydrophobicContact CG-CG2 4.17Å; L984-V989 HydrophobicContact CB-CG2 4.02Å; L984-V989 HydrophobicContact CD1-CG2 4.15Å; Q985-V989 PolarHBondContact O-N 2.71Å; Q985-V989 VanDerWaalsContact O-N 3.14Å; D986-V989 PolarHBondContact O-N 3.43Å; V989-F992 PolarHBondContact O-N 3.2Å; V989-V993 HydrophobicContact CG1-CG2 4.26Å; V989-V993 WeakPolarHBondContact O-CB 3.42Å; V989-V993 VanDerWaalsContact O-CG2 3.27Å; V989-V993 WeakPolarHBondContact O-CG2 3.44Å; V989-V993 PolarHBondContact O-N 2.95Å |
| 990 | K | 90.6 | Very high | 91.6 | Very high | 152 Ų | 152 | 34.9 Ų | 34.9 | 66% | 0.661 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -63.3 | -45.9 | 178.8 | -172.3 | -179.2 | 178.7 | -173.4 | 0 | 112.5 | D986 A987 Q988 F992 V993 T994 | D986-K990 WeakPolarHBondContact O-CB 3.34Å; D986-K990 PolarHBondContact O-N 2.85Å; A987-K990 PolarHBondContact O-N 3.09Å; Q988-K990 VanDerWaalsContact C-N 3.34Å; Q988-K990 PolarHBondContact O-N 3.22Å; K990-F992 VanDerWaalsContact C-N 3.35Å; K990-V993 PolarHBondContact O-N 2.84Å; K990-T994 WeakPolarHBondContact O-CB 3.49Å; K990-T994 PolarHBondContact O-N 3.11Å; K990-T994 PolarHBondContact O-OG1 3.38Å |
| 991 | V | 91.6 | Very high | 91.5 | Very high | 21 Ų | 21 | 36.4 Ų | 36.4 | 13% | 0.127 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 177.8 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | A987 Q988 T994 G995 L1030 R1033 L1037 | A987-V991 WeakPolarHBondContact O-CG2 3.42Å; A987-V991 PolarHBondContact O-N 3.24Å; Q988-V991 PolarHBondContact O-N 3.3Å; V991-T994 PolarHBondContact O-N 3.17Å; V991-G995 PolarHBondContact O-N 2.89Å; V991-L1030 HydrophobicContact CB-CD2 4.3Å; V991-L1030 HydrophobicContact CG1-CD2 4.42Å; V991-L1030 HydrophobicContact CG2-CB 4.29Å; V991-L1030 HydrophobicContact CG2-CD2 4.11Å; V991-R1033 HydrophobicContact CG1-CB 4.37Å; V991-R1033 HydrophobicContact CG1-CG 3.92Å; V991-L1037 HydrophobicContact CG1-CD1 4.24Å |
| 992 | F | 94.3 | Very high | 91.4 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.022 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.7 | -53.7 | 175.8 | 178.4 | -110 | 0 | 0 | 0 | 111.6 | F922 L977 Q988 V989 K990 T994 G995 L996 H1009 L1010 F1013 | F922-F992 AromaticContact CE1-CE1 3.93Å; F922-F992 HydrophobicContact CE1-CE1 3.93Å; F922-F992 HydrophobicContact CE1-CZ 4.11Å; L977-F992 HydrophobicContact CD1-CD1 3.52Å; L977-F992 HydrophobicContact CD1-CE1 3.62Å; Q988-F992 WeakPolarHBondContact O-CB 3.43Å; Q988-F992 PolarHBondContact O-N 3.41Å; V989-F992 PolarHBondContact O-N 3.2Å; K990-F992 VanDerWaalsContact C-N 3.35Å; F992-T994 VanDerWaalsContact C-N 3.27Å; F992-T994 PolarHBondContact O-N 3.07Å; F992-G995 PolarHBondContact O-N 3.45Å; F992-L996 HydrophobicContact CD1-CD1 4.36Å; F992-L996 HydrophobicContact CE1-CD1 3.99Å; F992-L996 HydrophobicContact CE1-CD2 4.25Å; F992-L996 HydrophobicContact CE1-CG 4.36Å; F992-L996 HydrophobicContact CE2-CD2 4.17Å; F992-L996 HydrophobicContact CZ-CD1 4.44Å; F992-L996 HydrophobicContact CZ-CD2 3.86Å; F992-L996 HydrophobicContact CZ-CG 4.42Å; F992-L996 WeakPolarHBondContact O-CG 3.48Å; F992-L996 PolarHBondContact O-N 2.76Å; F992-L996 VanDerWaalsContact O-N 3.11Å; F992-H1009 WeakPolarHBondContact CA-NE2 3.39Å; F992-H1009 AromaticContact CD2-CD2 3.66Å; F992-H1009 AromaticContact CD2-NE2 3.31Å; F992-H1009 VanDerWaalsContact CD2-NE2 3.31Å; F992-H1009 WeakPolarHBondContact CD2-NE2 3.3Å; F992-H1009 AromaticContact CE2-CD2 3.78Å; F992-H1009 AromaticContact CE2-NE2 3.93Å; F992-H1009 PolarHBondContact O-NE2 2.97Å; F992-L1010 HydrophobicContact CE2-CD2 3.97Å; F992-L1010 HydrophobicContact CZ-CD2 3.78Å; F992-F1013 HydrophobicContact CB-CD2 3.92Å; F992-F1013 HydrophobicContact CB-CE2 4.17Å; F992-F1013 HydrophobicContact CD1-CD1 4.37Å; F992-F1013 AromaticContact CD1-CD2 3.83Å; F992-F1013 HydrophobicContact CD1-CD2 3.83Å; F992-F1013 HydrophobicContact CD1-CE1 4.37Å; F992-F1013 AromaticContact CD1-CE2 3.84Å; F992-F1013 HydrophobicContact CD1-CE2 3.84Å; F992-F1013 HydrophobicContact CD1-CG 4.11Å; F992-F1013 HydrophobicContact CD1-CZ 4.12Å; F992-F1013 HydrophobicContact CD2-CB 3.53Å; F992-F1013 HydrophobicContact CD2-CD1 4.4Å; F992-F1013 AromaticContact CD2-CD2 3.58Å; F992-F1013 HydrophobicContact CD2-CD2 3.58Å; F992-F1013 HydrophobicContact CD2-CE2 4.4Å; F992-F1013 AromaticContact CD2-CG 3.58Å; F992-F1013 HydrophobicContact CD2-CG 3.58Å; F992-F1013 AromaticContact CE1-CD1 3.92Å; F992-F1013 HydrophobicContact CE1-CD1 3.92Å; F992-F1013 HydrophobicContact CE1-CD2 4.21Å; F992-F1013 HydrophobicContact CE1-CE1 4.04Å; F992-F1013 HydrophobicContact CE1-CE2 4.31Å; F992-F1013 HydrophobicContact CE1-CG 4.02Å; F992-F1013 HydrophobicContact CE1-CZ 4.23Å; F992-F1013 HydrophobicContact CE2-CB 3.31Å; F992-F1013 AromaticContact CE2-CD1 3.98Å; F992-F1013 HydrophobicContact CE2-CD1 3.98Å; F992-F1013 AromaticContact CE2-CD2 3.99Å; F992-F1013 HydrophobicContact CE2-CD2 3.99Å; F992-F1013 AromaticContact CE2-CG 3.49Å; F992-F1013 HydrophobicContact CE2-CG 3.49Å; F992-F1013 VanDerWaalsContact CE2-CG 3.49Å; F992-F1013 HydrophobicContact CG-CB 4.32Å; F992-F1013 AromaticContact CG-CD2 3.48Å; F992-F1013 HydrophobicContact CG-CD2 3.48Å; F992-F1013 VanDerWaalsContact CG-CD2 3.48Å; F992-F1013 AromaticContact CG-CE2 3.87Å; F992-F1013 HydrophobicContact CG-CE2 3.87Å; F992-F1013 AromaticContact CG-CG 3.88Å; F992-F1013 HydrophobicContact CG-CG 3.88Å; F992-F1013 HydrophobicContact CZ-CB 3.95Å; F992-F1013 AromaticContact CZ-CD1 3.7Å; F992-F1013 HydrophobicContact CZ-CD1 3.7Å; F992-F1013 HydrophobicContact CZ-CD2 4.27Å; F992-F1013 HydrophobicContact CZ-CE1 4.27Å; F992-F1013 AromaticContact CZ-CG 3.7Å; F992-F1013 HydrophobicContact CZ-CG 3.7Å |
| 993 | V | 95.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.7 | -37.3 | -179.2 | 171.6 | 0 | 0 | 0 | 0 | 112 | Q970 I973 A974 L977 V989 K990 L996 | Q970-V993 HydrophobicContact CB-CG1 3.85Å; Q970-V993 HydrophobicContact CG-CG1 3.86Å; I973-V993 HydrophobicContact CB-CG2 4.27Å; I973-V993 HydrophobicContact CG2-CG2 3.8Å; A974-V993 HydrophobicContact CB-CG2 4.31Å; L977-V993 HydrophobicContact CD1-CG2 4.29Å; V989-V993 HydrophobicContact CG1-CG2 4.26Å; V989-V993 WeakPolarHBondContact O-CB 3.42Å; V989-V993 VanDerWaalsContact O-CG2 3.27Å; V989-V993 WeakPolarHBondContact O-CG2 3.44Å; V989-V993 PolarHBondContact O-N 2.95Å; K990-V993 PolarHBondContact O-N 2.84Å; V993-L996 WeakPolarHBondContact O-CB 3.35Å; V993-L996 PolarHBondContact O-N 2.83Å |
| 994 | T | 92.4 | Very high | 91.6 | Very high | 50 Ų | 50 | 37.9 Ų | 37.9 | 31% | 0.307 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.5 | -44 | 174.6 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | K990 V991 F992 L996 F997 S998 | K990-T994 WeakPolarHBondContact O-CB 3.49Å; K990-T994 PolarHBondContact O-N 3.11Å; K990-T994 PolarHBondContact O-OG1 3.38Å; V991-T994 PolarHBondContact O-N 3.17Å; F992-T994 VanDerWaalsContact C-N 3.27Å; F992-T994 PolarHBondContact O-N 3.07Å; T994-L996 PolarHBondContact O-N 3.39Å; T994-F997 PolarHBondContact O-N 3.41Å; T994-S998 PolarHBondContact O-N 3.31Å; T994-S998 VanDerWaalsContact O-N 3.1Å; T994-S998 PolarHBondContact O-OG 3.34Å |
| 995 | G | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -30.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | V991 F992 F997 S998 L999 | V991-G995 PolarHBondContact O-N 2.89Å; F992-G995 PolarHBondContact O-N 3.45Å; G995-F997 PolarHBondContact O-N 2.98Å; G995-S998 PolarHBondContact O-N 3.02Å; G995-L999 WeakPolarHBondContact O-CB 3.31Å; G995-L999 WeakPolarHBondContact O-CG 3.4Å; G995-L999 PolarHBondContact O-N 3.31Å |
| 996 | L | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.3 | -28.2 | 173.1 | -60 | 173.8 | 0 | 0 | 0 | 113.1 | F922 F945 I973 F992 V993 T994 F1006 L1010 | F922-L996 HydrophobicContact CE1-CD1 4.39Å; F922-L996 HydrophobicContact CZ-CD1 3.74Å; F945-L996 HydrophobicContact CD1-CB 4.49Å; F945-L996 HydrophobicContact CD2-CB 3.94Å; F945-L996 HydrophobicContact CE1-CB 4.32Å; F945-L996 HydrophobicContact CE1-CD1 4.35Å; F945-L996 HydrophobicContact CE2-CB 3.78Å; F945-L996 HydrophobicContact CE2-CD1 3.92Å; F945-L996 HydrophobicContact CE2-CD2 4.17Å; F945-L996 HydrophobicContact CE2-CG 4.17Å; F945-L996 HydrophobicContact CG-CB 4.35Å; F945-L996 HydrophobicContact CZ-CB 4.01Å; F945-L996 HydrophobicContact CZ-CD1 3.65Å; F945-L996 HydrophobicContact CZ-CG 4.33Å; I973-L996 HydrophobicContact CD1-CD1 4.41Å; I973-L996 HydrophobicContact CG2-CD1 4.34Å; F992-L996 HydrophobicContact CD1-CD1 4.36Å; F992-L996 HydrophobicContact CE1-CD1 3.99Å; F992-L996 HydrophobicContact CE1-CD2 4.25Å; F992-L996 HydrophobicContact CE1-CG 4.36Å; F992-L996 HydrophobicContact CE2-CD2 4.17Å; F992-L996 HydrophobicContact CZ-CD1 4.44Å; F992-L996 HydrophobicContact CZ-CD2 3.86Å; F992-L996 HydrophobicContact CZ-CG 4.42Å; F992-L996 WeakPolarHBondContact O-CG 3.48Å; F992-L996 PolarHBondContact O-N 2.76Å; F992-L996 VanDerWaalsContact O-N 3.11Å; V993-L996 WeakPolarHBondContact O-CB 3.35Å; V993-L996 PolarHBondContact O-N 2.83Å; T994-L996 PolarHBondContact O-N 3.39Å; L996-F1006 HydrophobicContact CB-CE2 4.41Å; L996-F1006 HydrophobicContact CB-CZ 4.32Å; L996-F1006 HydrophobicContact CD2-CE1 3.86Å; L996-F1006 HydrophobicContact CD2-CE2 4.18Å; L996-F1006 HydrophobicContact CD2-CZ 3.43Å; L996-F1006 VanDerWaalsContact CD2-CZ 3.43Å; L996-F1006 HydrophobicContact CG-CZ 4.47Å; L996-F1006 VanDerWaalsContact O-CE2 3.32Å; L996-F1006 WeakPolarHBondContact O-CE2 3.28Å; L996-L1010 HydrophobicContact CD2-CD2 4.14Å |
| 997 | F | 93.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -91.5 | -39.8 | 175.2 | -73.6 | -88.1 | 0 | 0 | 0 | 112.2 | F945 V948 Q966 V969 Q970 T994 G995 L999 N1000 K1044 | F945-F997 HydrophobicContact CB-CD1 4.39Å; F945-F997 HydrophobicContact CB-CE1 4.37Å; F945-F997 HydrophobicContact CD1-CD1 4.42Å; F945-F997 HydrophobicContact CD1-CD2 4.31Å; F945-F997 AromaticContact CD1-CE1 3.89Å; F945-F997 HydrophobicContact CD1-CE1 3.89Å; F945-F997 AromaticContact CD1-CE2 3.77Å; F945-F997 HydrophobicContact CD1-CE2 3.77Å; F945-F997 AromaticContact CD1-CZ 3.55Å; F945-F997 HydrophobicContact CD1-CZ 3.55Å; F945-F997 HydrophobicContact CE1-CE2 4.05Å; F945-F997 HydrophobicContact CE1-CZ 4.1Å; V948-F997 HydrophobicContact CG1-CE1 4.45Å; Q966-F997 HydrophobicContact CG-CD1 4.1Å; Q966-F997 HydrophobicContact CG-CE1 3.69Å; Q966-F997 HydrophobicContact CG-CZ 3.98Å; V969-F997 HydrophobicContact CB-CZ 4.45Å; V969-F997 HydrophobicContact CG1-CZ 4.11Å; Q970-F997 HydrophobicContact CG-CD2 3.94Å; Q970-F997 HydrophobicContact CG-CE2 3.36Å; Q970-F997 HydrophobicContact CG-CZ 4.05Å; T994-F997 PolarHBondContact O-N 3.41Å; G995-F997 PolarHBondContact O-N 2.98Å; F997-L999 VanDerWaalsContact C-N 3.32Å; F997-L999 PolarHBondContact O-N 2.9Å; F997-N1000 PolarHBondContact O-ND2 3.47Å; F997-N1000 PolarHBondContact O-OD1 3.07Å; F997-K1044 PolarHBondContact O-NZ 3.05Å |
| 998 | S | 92.4 | Very high | 92.4 | Very high | 8 Ų | 8 | 34 Ų | 34 | 6% | 0.056 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -33.1 | -178.8 | -54.4 | 0 | 0 | 0 | 0 | 112.9 | T994 G995 | T994-S998 PolarHBondContact O-N 3.31Å; T994-S998 VanDerWaalsContact O-N 3.1Å; T994-S998 PolarHBondContact O-OG 3.34Å; G995-S998 PolarHBondContact O-N 3.02Å |
| 999 | L | 93.6 | Very high | 92.7 | Very high | 13 Ų | 13 | 34 Ų | 34 | 7% | 0.068 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 5.7 | -174.5 | -58 | 176.1 | 0 | 0 | 0 | 114.1 | G995 F997 Q1001 D1002 A1005 F1006 H1009 L1037 A1040 | G995-L999 WeakPolarHBondContact O-CB 3.31Å; G995-L999 WeakPolarHBondContact O-CG 3.4Å; G995-L999 PolarHBondContact O-N 3.31Å; F997-L999 VanDerWaalsContact C-N 3.32Å; F997-L999 PolarHBondContact O-N 2.9Å; L999-Q1001 PolarHBondContact O-N 3.05Å; L999-D1002 CarbonylContact O-C 3.59Å; L999-D1002 PolarHBondContact O-N 3.34Å; L999-A1005 HydrophobicContact CD1-CB 4.41Å; L999-A1005 HydrophobicContact CD2-CB 4.04Å; L999-F1006 HydrophobicContact CB-CB 4.31Å; L999-F1006 HydrophobicContact CB-CD2 4.13Å; L999-H1009 HydrophobicContact CD1-CB 3.7Å; L999-L1037 HydrophobicContact CD1-CD2 3.7Å; L999-L1037 HydrophobicContact CD2-CD2 4Å; L999-L1037 HydrophobicContact CG-CD2 3.68Å; L999-A1040 HydrophobicContact CD2-CB 3.76Å |
| 1000 | N | 92.6 | Very high | 92.8 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -1.8 | -173 | 67.2 | 4.5 | 0 | 0 | 0 | 115.5 | A942 F945 N946 E949 F997 F1006 K1044 | A942-N1000 HydrophobicContact CB-CB 4.43Å; A942-N1000 WeakPolarHBondContact CB-O 3.42Å; F945-N1000 HydrophobicContact CB-CB 4.13Å; N946-N1000 WeakPolarHBondContact CA-ND2 3.32Å; N946-N1000 HydrophobicContact CB-CB 4.48Å; N946-N1000 PolarHBondContact N-ND2 2.93Å; E949-N1000 PolarHBondContact OE2-ND2 3.01Å; F997-N1000 PolarHBondContact O-ND2 3.47Å; F997-N1000 PolarHBondContact O-OD1 3.07Å; N1000-F1006 HydrophobicContact CB-CE2 4.49Å; N1000-K1044 PolarHBondContact ND2-NZ 2.78Å; N1000-K1044 VanDerWaalsContact OD1-CE 3.32Å; N1000-K1044 WeakPolarHBondContact OD1-CE 3.41Å; N1000-K1044 PolarHBondContact OD1-NZ 2.93Å |
| 1001 | Q | 89.4 | Confident | 92.8 | Very high | 90 Ų | 90 | 29.6 Ų | 29.6 | 42% | 0.421 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -5.3 | 172.6 | -63.6 | -171.1 | -2.8 | 0 | 0 | 113.6 | L999 K1044 | L999-Q1001 PolarHBondContact O-N 3.05Å; Q1001-K1044 HydrophobicContact CG-CD 4.41Å; Q1001-K1044 HydrophobicContact CG-CG 4.49Å |
| 1002 | D | 91.1 | Very high | 92.8 | Very high | 80 Ų | 80 | 29 Ų | 29 | 43% | 0.428 | 15% | 0.153 | S | C | . | . | trans | -117.8 | 89.6 | 175.5 | -175.5 | -21.7 | 0 | 0 | 0 | 109.3 | L999 P1004 A1005 F1006 | L999-D1002 CarbonylContact O-C 3.59Å; L999-D1002 PolarHBondContact O-N 3.34Å; D1002-P1004 WeakPolarHBondContact OD1-CD 3.28Å; D1002-A1005 HydrophobicContact CB-CB 3.94Å; D1002-A1005 PolarHBondContact O-N 2.89Å; D1002-A1005 WeakPolarHBondContact OD1-CB 3.37Å; D1002-A1005 PolarHBondContact OD1-N 3.41Å; D1002-A1005 WeakPolarHBondContact OD2-CB 3.49Å; D1002-F1006 WeakPolarHBondContact O-CB 3.36Å; D1002-F1006 PolarHBondContact O-N 3.36Å | ||
| 1003 | I | 92 | Very high | 92.8 | Very high | 66 Ų | 66 | 28.9 Ų | 28.9 | 34% | 0.338 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -59.4 | -44.9 | -177 | -61 | 170.6 | 0 | 0 | 0 | 111.9 | A938 T939 A1005 F1006 K1007 | A938-I1003 HydrophobicContact CB-CG2 4.23Å; T939-I1003 HydrophobicContact CG2-CD1 4.31Å; I1003-A1005 PolarHBondContact O-N 3.39Å; I1003-F1006 PolarHBondContact O-N 2.96Å; I1003-K1007 VanDerWaalsContact O-CB 3.3Å; I1003-K1007 WeakPolarHBondContact O-CB 3.14Å; I1003-K1007 PolarHBondContact O-N 3.36Å |
| 1004 | P | 91.3 | Very high | 92.7 | Very high | 85 Ų | 85 | 29.1 Ų | 29.1 | 55% | 0.552 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -53.8 | -49.1 | 171.9 | -28 | 34.5 | 0 | 0 | 0 | 113.8 | D1002 K1007 E1008 | D1002-P1004 WeakPolarHBondContact OD1-CD 3.28Å; P1004-K1007 WeakPolarHBondContact O-CB 3.37Å; P1004-K1007 PolarHBondContact O-N 3.09Å; P1004-E1008 PolarHBondContact O-N 2.92Å; P1004-E1008 VanDerWaalsContact O-N 3.15Å |
| 1005 | A | 91.1 | Very high | 92.5 | Very high | 26 Ų | 26 | 27.2 Ų | 27.2 | 22% | 0.215 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | L999 D1002 I1003 K1007 E1008 H1009 | L999-A1005 HydrophobicContact CD1-CB 4.41Å; L999-A1005 HydrophobicContact CD2-CB 4.04Å; D1002-A1005 HydrophobicContact CB-CB 3.94Å; D1002-A1005 PolarHBondContact O-N 2.89Å; D1002-A1005 WeakPolarHBondContact OD1-CB 3.37Å; D1002-A1005 PolarHBondContact OD1-N 3.41Å; D1002-A1005 WeakPolarHBondContact OD2-CB 3.49Å; I1003-A1005 PolarHBondContact O-N 3.39Å; A1005-K1007 VanDerWaalsContact C-N 3.35Å; A1005-K1007 PolarHBondContact O-N 3.32Å; A1005-E1008 PolarHBondContact O-N 3.44Å; A1005-H1009 WeakPolarHBondContact O-CB 3.31Å; A1005-H1009 PolarHBondContact O-N 2.76Å |
| 1006 | F | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.9 | -44.5 | 175.2 | -161.6 | -69 | 0 | 0 | 0 | 111.5 | A938 L941 A942 F945 L996 L999 N1000 D1002 I1003 E1008 H1009 L1010 | A938-F1006 HydrophobicContact CB-CB 4.48Å; A938-F1006 HydrophobicContact CB-CD1 3.84Å; A938-F1006 HydrophobicContact CB-CG 4.5Å; L941-F1006 HydrophobicContact CB-CE1 3.75Å; L941-F1006 HydrophobicContact CB-CZ 3.65Å; L941-F1006 HydrophobicContact CD1-CE1 4.15Å; A942-F1006 HydrophobicContact CB-CD2 4.01Å; A942-F1006 HydrophobicContact CB-CE2 4.12Å; A942-F1006 HydrophobicContact CB-CG 4.45Å; F945-F1006 HydrophobicContact CD2-CE2 4.2Å; F945-F1006 AromaticContact CD2-CZ 3.96Å; F945-F1006 HydrophobicContact CD2-CZ 3.96Å; F945-F1006 HydrophobicContact CE2-CZ 4.15Å; L996-F1006 HydrophobicContact CB-CE2 4.41Å; L996-F1006 HydrophobicContact CB-CZ 4.32Å; L996-F1006 HydrophobicContact CD2-CE1 3.86Å; L996-F1006 HydrophobicContact CD2-CE2 4.18Å; L996-F1006 HydrophobicContact CD2-CZ 3.43Å; L996-F1006 VanDerWaalsContact CD2-CZ 3.43Å; L996-F1006 HydrophobicContact CG-CZ 4.47Å; L996-F1006 VanDerWaalsContact O-CE2 3.32Å; L996-F1006 WeakPolarHBondContact O-CE2 3.28Å; L999-F1006 HydrophobicContact CB-CB 4.31Å; L999-F1006 HydrophobicContact CB-CD2 4.13Å; N1000-F1006 HydrophobicContact CB-CE2 4.49Å; D1002-F1006 WeakPolarHBondContact O-CB 3.36Å; D1002-F1006 PolarHBondContact O-N 3.36Å; I1003-F1006 PolarHBondContact O-N 2.96Å; F1006-E1008 VanDerWaalsContact C-N 3.32Å; F1006-E1008 PolarHBondContact O-N 3.29Å; F1006-H1009 WeakPolarHBondContact O-CA 3.39Å; F1006-H1009 VanDerWaalsContact O-CB 3.3Å; F1006-H1009 WeakPolarHBondContact O-CB 3.43Å; F1006-H1009 PolarHBondContact O-N 3.04Å; F1006-H1009 VanDerWaalsContact O-N 3.1Å; F1006-L1010 HydrophobicContact CD1-CD1 3.98Å; F1006-L1010 HydrophobicContact CD1-CD2 4.35Å; F1006-L1010 HydrophobicContact CD1-CG 3.85Å; F1006-L1010 HydrophobicContact CE1-CD1 3.9Å; F1006-L1010 HydrophobicContact CE1-CD2 3.84Å; F1006-L1010 HydrophobicContact CE1-CG 3.82Å; F1006-L1010 WeakPolarHBondContact O-CG 3.4Å; F1006-L1010 PolarHBondContact O-N 3.49Å |
| 1007 | K | 93.9 | Very high | 92.2 | Very high | 54 Ų | 54 | 29.3 Ų | 29.3 | 24% | 0.235 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 177.5 | -174.4 | -171.9 | 68.5 | -175.2 | 0 | 111.4 | L934 A938 I1003 P1004 A1005 H1009 L1010 R1011 | L934-K1007 HydrophobicContact CD2-CG 3.78Å; L934-K1007 HydrophobicContact CG-CG 3.82Å; A938-K1007 HydrophobicContact CB-CB 3.98Å; I1003-K1007 VanDerWaalsContact O-CB 3.3Å; I1003-K1007 WeakPolarHBondContact O-CB 3.14Å; I1003-K1007 PolarHBondContact O-N 3.36Å; P1004-K1007 WeakPolarHBondContact O-CB 3.37Å; P1004-K1007 PolarHBondContact O-N 3.09Å; A1005-K1007 VanDerWaalsContact C-N 3.35Å; A1005-K1007 PolarHBondContact O-N 3.32Å; K1007-H1009 VanDerWaalsContact C-N 3.33Å; K1007-L1010 PolarHBondContact O-N 3.33Å; K1007-R1011 PolarHBondContact O-N 3Å |
| 1008 | E | 91.1 | Very high | 91.9 | Very high | 39 Ų | 39 | 34 Ų | 34 | 18% | 0.182 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.6 | -32.1 | 175.7 | -62.7 | -59.4 | 133 | 0 | 0 | 112.3 | Q188 P1004 A1005 F1006 R1011 D1012 | Q188-E1008 VanDerWaalsContact CD-CB 3.49Å; Q188-E1008 HydrophobicContact CG-CB 4.31Å; Q188-E1008 VanDerWaalsContact NE2-CG 3.35Å; P1004-E1008 PolarHBondContact O-N 2.92Å; P1004-E1008 VanDerWaalsContact O-N 3.15Å; A1005-E1008 PolarHBondContact O-N 3.44Å; F1006-E1008 VanDerWaalsContact C-N 3.32Å; F1006-E1008 PolarHBondContact O-N 3.29Å; E1008-R1011 VanDerWaalsContact CD-NH1 3.27Å; E1008-R1011 WeakPolarHBondContact O-CB 3.42Å; E1008-R1011 PolarHBondContact O-N 3.13Å; E1008-R1011 IonicContact OE1-CZ 2.84Å; E1008-R1011 VanDerWaalsContact OE1-CZ 3.3Å; E1008-R1011 IonicContact OE1-NH1 3.46Å; E1008-R1011 PolarHBondContact OE1-NH1 3.21Å; E1008-R1011 IonicContact OE1-NH2 3.22Å; E1008-R1011 IonicContact OE2-CZ 2.58Å; E1008-R1011 IonicContact OE2-NH1 3.46Å; E1008-R1011 PolarHBondContact OE2-NH1 3.02Å; E1008-D1012 PolarHBondContact O-N 3.49Å |
| 1009 | H | 94.6 | Very high | 91.6 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 172.2 | -168.5 | 66.5 | 0 | 0 | 0 | 112.7 | F992 L999 A1005 F1006 K1007 R1011 D1012 F1013 R1033 | F992-H1009 WeakPolarHBondContact CA-NE2 3.39Å; F992-H1009 AromaticContact CD2-CD2 3.66Å; F992-H1009 AromaticContact CD2-NE2 3.31Å; F992-H1009 VanDerWaalsContact CD2-NE2 3.31Å; F992-H1009 WeakPolarHBondContact CD2-NE2 3.3Å; F992-H1009 AromaticContact CE2-CD2 3.78Å; F992-H1009 AromaticContact CE2-NE2 3.93Å; F992-H1009 PolarHBondContact O-NE2 2.97Å; L999-H1009 HydrophobicContact CD1-CB 3.7Å; A1005-H1009 WeakPolarHBondContact O-CB 3.31Å; A1005-H1009 PolarHBondContact O-N 2.76Å; F1006-H1009 WeakPolarHBondContact O-CA 3.39Å; F1006-H1009 VanDerWaalsContact O-CB 3.3Å; F1006-H1009 WeakPolarHBondContact O-CB 3.43Å; F1006-H1009 PolarHBondContact O-N 3.04Å; F1006-H1009 VanDerWaalsContact O-N 3.1Å; K1007-H1009 VanDerWaalsContact C-N 3.33Å; H1009-R1011 VanDerWaalsContact C-N 3.34Å; H1009-D1012 PolarHBondContact O-N 2.99Å; H1009-F1013 PolarHBondContact O-N 3.44Å; H1009-F1013 VanDerWaalsContact O-N 3.13Å; H1009-R1033 PolarHBondContact ND1-NH2 2.88Å; H1009-R1033 VanDerWaalsContact ND1-NH2 3.16Å |
| 1010 | L | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -39.4 | 171.4 | -65 | -176.7 | 0 | 0 | 0 | 111.8 | V925 L934 H937 A938 L941 F992 L996 F1006 K1007 F1013 L1014 | V925-L1010 HydrophobicContact CG1-CB 4.45Å; V925-L1010 HydrophobicContact CG1-CD1 4.2Å; V925-L1010 HydrophobicContact CG1-CD2 4.07Å; V925-L1010 HydrophobicContact CG1-CG 4.48Å; L934-L1010 HydrophobicContact CD1-CB 3.88Å; L934-L1010 HydrophobicContact CD1-CD1 4.01Å; H937-L1010 HydrophobicContact CB-CD1 4.42Å; A938-L1010 HydrophobicContact CB-CD1 4.08Å; L941-L1010 HydrophobicContact CD1-CD1 4.14Å; L941-L1010 HydrophobicContact CD1-CD2 4.16Å; F992-L1010 HydrophobicContact CE2-CD2 3.97Å; F992-L1010 HydrophobicContact CZ-CD2 3.78Å; L996-L1010 HydrophobicContact CD2-CD2 4.14Å; F1006-L1010 HydrophobicContact CD1-CD1 3.98Å; F1006-L1010 HydrophobicContact CD1-CD2 4.35Å; F1006-L1010 HydrophobicContact CD1-CG 3.85Å; F1006-L1010 HydrophobicContact CE1-CD1 3.9Å; F1006-L1010 HydrophobicContact CE1-CD2 3.84Å; F1006-L1010 HydrophobicContact CE1-CG 3.82Å; F1006-L1010 WeakPolarHBondContact O-CG 3.4Å; F1006-L1010 PolarHBondContact O-N 3.49Å; K1007-L1010 PolarHBondContact O-N 3.33Å; L1010-F1013 PolarHBondContact O-N 2.84Å; L1010-L1014 PolarHBondContact O-N 3.04Å |
| 1011 | R | 91.2 | Very high | 90.1 | Very high | 60 Ų | 60 | 38 Ų | 38 | 23% | 0.226 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 176.6 | -173.9 | 179.2 | -70.1 | 159.4 | 3.4 | 111.8 | S183 L934 K1007 E1008 H1009 F1013 L1014 V1015 | S183-R1011 PolarHBondContact OG-NH1 2.94Å; L934-R1011 HydrophobicContact CD2-CB 4.3Å; K1007-R1011 PolarHBondContact O-N 3Å; E1008-R1011 VanDerWaalsContact CD-NH1 3.27Å; E1008-R1011 WeakPolarHBondContact O-CB 3.42Å; E1008-R1011 PolarHBondContact O-N 3.13Å; E1008-R1011 IonicContact OE1-CZ 2.84Å; E1008-R1011 VanDerWaalsContact OE1-CZ 3.3Å; E1008-R1011 IonicContact OE1-NH1 3.46Å; E1008-R1011 PolarHBondContact OE1-NH1 3.21Å; E1008-R1011 IonicContact OE1-NH2 3.22Å; E1008-R1011 IonicContact OE2-CZ 2.58Å; E1008-R1011 IonicContact OE2-NH1 3.46Å; E1008-R1011 PolarHBondContact OE2-NH1 3.02Å; H1009-R1011 VanDerWaalsContact C-N 3.34Å; R1011-F1013 VanDerWaalsContact C-N 3.31Å; R1011-F1013 PolarHBondContact O-N 3.32Å; R1011-L1014 WeakPolarHBondContact O-CB 3.25Å; R1011-L1014 PolarHBondContact O-N 3.33Å; R1011-V1015 WeakPolarHBondContact O-CG2 3.39Å; R1011-V1015 PolarHBondContact O-N 3.38Å; R1011-V1015 VanDerWaalsContact O-N 3.09Å |
| 1012 | D | 91.4 | Very high | 89 | Confident | 8 Ų | 8 | 34.7 Ų | 34.7 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58 | -45.9 | 173.9 | -76.7 | -17.9 | 0 | 0 | 0 | 111 | T187 Q188 E1008 H1009 L1014 V1015 Q1016 R1033 | T187-D1012 WeakPolarHBondContact CA-OD1 3.39Å; T187-D1012 HydrophobicContact CG2-CB 4.29Å; Q188-D1012 WeakPolarHBondContact CG-OD1 3.35Å; Q188-D1012 PolarHBondContact N-OD1 3.24Å; E1008-D1012 PolarHBondContact O-N 3.49Å; H1009-D1012 PolarHBondContact O-N 2.99Å; D1012-L1014 PolarHBondContact O-N 3.26Å; D1012-V1015 WeakPolarHBondContact O-CB 3.46Å; D1012-V1015 PolarHBondContact O-N 3.16Å; D1012-V1015 VanDerWaalsContact O-N 3.17Å; D1012-Q1016 WeakPolarHBondContact O-CG 3.46Å; D1012-Q1016 PolarHBondContact O-N 3.06Å; D1012-R1033 IonicContact OD2-CZ 2.7Å; D1012-R1033 IonicContact OD2-NE 4Å; D1012-R1033 IonicContact OD2-NH2 2.72Å; D1012-R1033 PolarHBondContact OD2-NH2 3.29Å |
| 1013 | F | 93.9 | Very high | 87.5 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 178.6 | -170.4 | -108.6 | 0 | 0 | 0 | 112.1 | T926 L977 L984 F992 H1009 L1010 R1011 V1015 Q1016 I1017 | T926-F1013 HydrophobicContact CG2-CD1 4.46Å; T926-F1013 HydrophobicContact CG2-CE1 4.12Å; L977-F1013 HydrophobicContact CB-CZ 4.48Å; L977-F1013 HydrophobicContact CD1-CE1 4.37Å; L977-F1013 HydrophobicContact CD1-CZ 3.89Å; L977-F1013 HydrophobicContact CD2-CE1 3.92Å; L977-F1013 HydrophobicContact CD2-CZ 3.95Å; L977-F1013 HydrophobicContact CG-CZ 4.33Å; L984-F1013 HydrophobicContact CD1-CE2 3.77Å; L984-F1013 HydrophobicContact CD1-CZ 3.7Å; F992-F1013 HydrophobicContact CB-CD2 3.92Å; F992-F1013 HydrophobicContact CB-CE2 4.17Å; F992-F1013 HydrophobicContact CD1-CD1 4.37Å; F992-F1013 AromaticContact CD1-CD2 3.83Å; F992-F1013 HydrophobicContact CD1-CD2 3.83Å; F992-F1013 HydrophobicContact CD1-CE1 4.37Å; F992-F1013 AromaticContact CD1-CE2 3.84Å; F992-F1013 HydrophobicContact CD1-CE2 3.84Å; F992-F1013 HydrophobicContact CD1-CG 4.11Å; F992-F1013 HydrophobicContact CD1-CZ 4.12Å; F992-F1013 HydrophobicContact CD2-CB 3.53Å; F992-F1013 HydrophobicContact CD2-CD1 4.4Å; F992-F1013 AromaticContact CD2-CD2 3.58Å; F992-F1013 HydrophobicContact CD2-CD2 3.58Å; F992-F1013 HydrophobicContact CD2-CE2 4.4Å; F992-F1013 AromaticContact CD2-CG 3.58Å; F992-F1013 HydrophobicContact CD2-CG 3.58Å; F992-F1013 AromaticContact CE1-CD1 3.92Å; F992-F1013 HydrophobicContact CE1-CD1 3.92Å; F992-F1013 HydrophobicContact CE1-CD2 4.21Å; F992-F1013 HydrophobicContact CE1-CE1 4.04Å; F992-F1013 HydrophobicContact CE1-CE2 4.31Å; F992-F1013 HydrophobicContact CE1-CG 4.02Å; F992-F1013 HydrophobicContact CE1-CZ 4.23Å; F992-F1013 HydrophobicContact CE2-CB 3.31Å; F992-F1013 AromaticContact CE2-CD1 3.98Å; F992-F1013 HydrophobicContact CE2-CD1 3.98Å; F992-F1013 AromaticContact CE2-CD2 3.99Å; F992-F1013 HydrophobicContact CE2-CD2 3.99Å; F992-F1013 AromaticContact CE2-CG 3.49Å; F992-F1013 HydrophobicContact CE2-CG 3.49Å; F992-F1013 VanDerWaalsContact CE2-CG 3.49Å; F992-F1013 HydrophobicContact CG-CB 4.32Å; F992-F1013 AromaticContact CG-CD2 3.48Å; F992-F1013 HydrophobicContact CG-CD2 3.48Å; F992-F1013 VanDerWaalsContact CG-CD2 3.48Å; F992-F1013 AromaticContact CG-CE2 3.87Å; F992-F1013 HydrophobicContact CG-CE2 3.87Å; F992-F1013 AromaticContact CG-CG 3.88Å; F992-F1013 HydrophobicContact CG-CG 3.88Å; F992-F1013 HydrophobicContact CZ-CB 3.95Å; F992-F1013 AromaticContact CZ-CD1 3.7Å; F992-F1013 HydrophobicContact CZ-CD1 3.7Å; F992-F1013 HydrophobicContact CZ-CD2 4.27Å; F992-F1013 HydrophobicContact CZ-CE1 4.27Å; F992-F1013 AromaticContact CZ-CG 3.7Å; F992-F1013 HydrophobicContact CZ-CG 3.7Å; H1009-F1013 PolarHBondContact O-N 3.44Å; H1009-F1013 VanDerWaalsContact O-N 3.13Å; L1010-F1013 PolarHBondContact O-N 2.84Å; R1011-F1013 VanDerWaalsContact C-N 3.31Å; R1011-F1013 PolarHBondContact O-N 3.32Å; F1013-V1015 PolarHBondContact O-N 3.13Å; F1013-Q1016 PolarHBondContact O-N 3.16Å; F1013-I1017 HydrophobicContact CD1-CG2 4Å; F1013-I1017 HydrophobicContact CD2-CG2 4.5Å; F1013-I1017 HydrophobicContact CE1-CG2 3.61Å; F1013-I1017 HydrophobicContact CE2-CG2 4.16Å; F1013-I1017 HydrophobicContact CG-CG2 4.42Å; F1013-I1017 HydrophobicContact CZ-CG2 3.69Å; F1013-I1017 WeakPolarHBondContact O-CG2 3.39Å; F1013-I1017 PolarHBondContact O-N 2.94Å |
| 1014 | L | 92.2 | Very high | 86.2 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.4 | -32.1 | 173.1 | -90.3 | 174.3 | 0 | 0 | 0 | 113.6 | V925 T931 L934 L1010 R1011 D1012 I1017 K1018 | V925-L1014 WeakPolarHBondContact O-CD1 3.47Å; V925-L1014 VanDerWaalsContact O-CD2 3.24Å; V925-L1014 WeakPolarHBondContact O-CD2 3.45Å; V925-L1014 WeakPolarHBondContact O-CG 3.37Å; T931-L1014 HydrophobicContact CG2-CD1 4.23Å; L934-L1014 HydrophobicContact CD1-CD1 4.39Å; L1010-L1014 PolarHBondContact O-N 3.04Å; R1011-L1014 WeakPolarHBondContact O-CB 3.25Å; R1011-L1014 PolarHBondContact O-N 3.33Å; D1012-L1014 PolarHBondContact O-N 3.26Å; L1014-I1017 HydrophobicContact CD2-CD1 3.97Å; L1014-I1017 WeakPolarHBondContact O-CG1 3.44Å; L1014-K1018 WeakPolarHBondContact O-CD 3.47Å; L1014-K1018 WeakPolarHBondContact O-CE 3.23Å; L1014-K1018 WeakPolarHBondContact O-CG 3.41Å |
| 1015 | V | 89.9 | Confident | 84.7 | Confident | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.055 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -72.6 | -47.4 | 171.7 | 173.6 | 0 | 0 | 0 | 0 | 109.9 | T187 R1011 D1012 F1013 I1017 K1018 | T187-V1015 HydrophobicContact CG2-CB 4.42Å; T187-V1015 HydrophobicContact CG2-CG1 4.28Å; R1011-V1015 WeakPolarHBondContact O-CG2 3.39Å; R1011-V1015 PolarHBondContact O-N 3.38Å; R1011-V1015 VanDerWaalsContact O-N 3.09Å; D1012-V1015 WeakPolarHBondContact O-CB 3.46Å; D1012-V1015 PolarHBondContact O-N 3.16Å; D1012-V1015 VanDerWaalsContact O-N 3.17Å; F1013-V1015 PolarHBondContact O-N 3.13Å; V1015-I1017 PolarHBondContact O-N 3.24Å; V1015-K1018 WeakPolarHBondContact O-CB 3.27Å; V1015-K1018 PolarHBondContact O-N 3.29Å; V1015-K1018 VanDerWaalsContact O-N 3.12Å |
| 1016 | Q | 90.1 | Very high | 83.4 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -40.2 | -177.5 | -70.4 | -179.5 | 32.1 | 0 | 0 | 113.2 | T187 Q988 D1012 F1013 K1018 E1019 | T187-Q1016 HydrophobicContact CG2-CG 3.89Å; Q988-Q1016 VanDerWaalsContact NE2-OE1 3.14Å; D1012-Q1016 WeakPolarHBondContact O-CG 3.46Å; D1012-Q1016 PolarHBondContact O-N 3.06Å; F1013-Q1016 PolarHBondContact O-N 3.16Å; Q1016-K1018 PolarHBondContact O-N 3Å; Q1016-K1018 VanDerWaalsContact O-N 3.16Å; Q1016-E1019 PolarHBondContact O-N 3.48Å; Q1016-E1019 VanDerWaalsContact O-N 3.14Å |
| 1017 | I | 92 | Very high | 82 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 8% | 0.082 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -16.5 | 179.5 | 66.5 | 177.2 | 0 | 0 | 0 | 113.4 | T926 F981 H983 L984 F1013 L1014 V1015 | T926-I1017 HydrophobicContact CG2-CD1 4.07Å; F981-I1017 HydrophobicContact CD1-CB 4.18Å; F981-I1017 HydrophobicContact CD1-CG2 4.4Å; F981-I1017 HydrophobicContact CD2-CG2 4.15Å; F981-I1017 HydrophobicContact CE1-CB 4.33Å; F981-I1017 HydrophobicContact CE1-CD1 4.11Å; F981-I1017 HydrophobicContact CE2-CG2 4.39Å; F981-I1017 HydrophobicContact CG-CB 4.41Å; F981-I1017 HydrophobicContact CG-CG2 4.16Å; F981-I1017 HydrophobicContact CZ-CD1 4.01Å; H983-I1017 PolarHBondContact CE1-O 3.06Å; H983-I1017 PolarHBondContact NE2-O 2.76Å; L984-I1017 HydrophobicContact CD1-CG2 4Å; L984-I1017 HydrophobicContact CD2-CG2 4.34Å; F1013-I1017 HydrophobicContact CD1-CG2 4Å; F1013-I1017 HydrophobicContact CD2-CG2 4.5Å; F1013-I1017 HydrophobicContact CE1-CG2 3.61Å; F1013-I1017 HydrophobicContact CE2-CG2 4.16Å; F1013-I1017 HydrophobicContact CG-CG2 4.42Å; F1013-I1017 HydrophobicContact CZ-CG2 3.69Å; F1013-I1017 WeakPolarHBondContact O-CG2 3.39Å; F1013-I1017 PolarHBondContact O-N 2.94Å; L1014-I1017 HydrophobicContact CD2-CD1 3.97Å; L1014-I1017 WeakPolarHBondContact O-CG1 3.44Å; V1015-I1017 PolarHBondContact O-N 3.24Å |
| 1018 | K | 87.5 | Confident | 80.9 | Confident | 105 Ų | 105 | 40 Ų | 40 | 46% | 0.457 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -14.1 | 177.4 | -64.3 | 174.5 | -175 | 178.9 | 0 | 113.2 | T928 L1014 V1015 Q1016 | T928-K1018 VanDerWaalsContact CG2-NZ 3.26Å; L1014-K1018 WeakPolarHBondContact O-CD 3.47Å; L1014-K1018 WeakPolarHBondContact O-CE 3.23Å; L1014-K1018 WeakPolarHBondContact O-CG 3.41Å; V1015-K1018 WeakPolarHBondContact O-CB 3.27Å; V1015-K1018 PolarHBondContact O-N 3.29Å; V1015-K1018 VanDerWaalsContact O-N 3.12Å; Q1016-K1018 PolarHBondContact O-N 3Å; Q1016-K1018 VanDerWaalsContact O-N 3.16Å |
| 1019 | E | 84.3 | Confident | 80.2 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 15% | 0.15 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -114.4 | 137.5 | -177.5 | -58.3 | -169 | 163.9 | 0 | 0 | 111.2 | K88 K92 Q140 Q1016 A1021 | K88-E1019 WeakPolarHBondContact O-CG 3.42Å; K92-E1019 IonicContact NZ-OE2 2.65Å; Q140-E1019 PolarHBondContact NE2-OE1 2.88Å; Q1016-E1019 PolarHBondContact O-N 3.48Å; Q1016-E1019 VanDerWaalsContact O-N 3.14Å; E1019-A1021 PolarHBondContact O-N 3.41Å |
| 1020 | F | 82.8 | Confident | 79.4 | Confident | 73 Ų | 73 | 40.8 Ų | 40.8 | 32% | 0.32 | 21% | 0.206 | S | C | . | . | trans | -85.2 | 111.6 | 170.9 | -69.6 | -102.1 | 0 | 0 | 0 | 108.6 | T89 R90 K92 I93 H983 G1022 | T89-F1020 WeakPolarHBondContact O-CD2 3.19Å; T89-F1020 PolarHBondContact O-N 3.4Å; R90-F1020 HydrophobicContact CG-CD2 3.99Å; R90-F1020 HydrophobicContact CG-CE2 4.48Å; K92-F1020 WeakPolarHBondContact CB-O 3.27Å; I93-F1020 HydrophobicContact CD1-CB 4.05Å; I93-F1020 HydrophobicContact CD1-CD1 4.39Å; I93-F1020 HydrophobicContact CD1-CG 4.23Å; I93-F1020 HydrophobicContact CG1-CB 4.19Å; I93-F1020 HydrophobicContact CG2-CB 3.85Å; H983-F1020 HydrophobicContact CB-CD1 3.49Å; H983-F1020 VanDerWaalsContact CB-CD1 3.49Å; H983-F1020 HydrophobicContact CB-CE1 3.41Å; H983-F1020 VanDerWaalsContact CB-CE1 3.41Å; H983-F1020 HydrophobicContact CB-CG 4.45Å; H983-F1020 HydrophobicContact CB-CZ 4.3Å; H983-F1020 AromaticContact CG-CE1 3.84Å; F1020-G1022 PolarHBondContact O-N 2.82Å | ||
| 1021 | A | 72.1 | Confident | 78.4 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 5% | 0.05 | 24% | 0.243 | C | C | . | . | trans | -76.7 | -11.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | K92 E1019 L1028 | K92-A1021 WeakPolarHBondContact CB-O 3.35Å; E1019-A1021 PolarHBondContact O-N 3.41Å; A1021-L1028 HydrophobicContact CB-CD1 4.3Å | ||
| 1022 | G | 67 | Low | 77.8 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | trans | 75.3 | -161.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q985 F1020 | Q985-G1022 PolarHBondContact NE2-O 3.4Å; F1020-G1022 PolarHBondContact O-N 2.82Å | ||
| 1023 | E | 60.5 | Low | 77.2 | Confident | 191 Ų | 191 | 52.3 Ų | 52.3 | 89% | 0.893 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -92.2 | -25 | 170.9 | -69.4 | -179.1 | 174.4 | 0 | 0 | 112.3 | T1025 | E1023-T1025 PolarHBondContact O-N 2.99Š|
| 1024 | D | 63.3 | Low | 76.5 | Confident | 64 Ų | 64 | 56.1 Ų | 56.1 | 34% | 0.342 | 28% | 0.279 | S | S | . | . | trans | -82 | 104.9 | 179.1 | -177.2 | 9.4 | 0 | 0 | 0 | 111.5 | K144 T1026 | K144-D1024 IonicContact NZ-OD2 2.92Å; K144-D1024 PolarHBondContact NZ-OD2 3.45Å; D1024-T1026 PolarHBondContact OD1-N 3.05Å; D1024-T1026 PolarHBondContact OD1-OG1 3.26Å; D1024-T1026 PolarHBondContact OD2-OG1 2.92Å | ||
| 1025 | T | 60.1 | Low | 75.9 | Confident | 44 Ų | 44 | 59 Ų | 59 | 27% | 0.27 | 30% | 0.3 | S | S | . | . | trans | -90.9 | -2.3 | -177.7 | 54.7 | 0 | 0 | 0 | 0 | 115.1 | Q985 E1023 D1027 L1028 | Q985-T1025 VanDerWaalsContact NE2-CG2 3.34Å; E1023-T1025 PolarHBondContact O-N 2.99Å; T1025-D1027 PolarHBondContact O-N 3.44Å; T1025-D1027 VanDerWaalsContact O-N 3.15Å; T1025-L1028 HydrophobicContact CG2-CD1 4.09Å; T1025-L1028 VanDerWaalsContact O-CB 3.31Å; T1025-L1028 WeakPolarHBondContact O-CB 3.21Å; T1025-L1028 PolarHBondContact O-N 3.45Å | ||
| 1026 | T | 64.1 | Low | 75.5 | Confident | 81 Ų | 81 | 60.8 Ų | 60.8 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -62 | -28.7 | -171 | 48 | 0 | 0 | 0 | 0 | 112.5 | K144 D1024 L1028 F1029 | K144-T1026 PolarHBondContact NZ-OG1 2.99Å; D1024-T1026 PolarHBondContact OD1-N 3.05Å; D1024-T1026 PolarHBondContact OD1-OG1 3.26Å; D1024-T1026 PolarHBondContact OD2-OG1 2.92Å; T1026-L1028 PolarHBondContact O-N 2.89Å; T1026-F1029 PolarHBondContact O-N 3.34Å |
| 1027 | D | 65.5 | Low | 75.2 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -78.4 | -2.3 | 177.9 | -54.4 | -18.9 | 0 | 0 | 0 | 113.9 | K144 T1025 F1029 | K144-D1027 WeakPolarHBondContact CD-OD1 3.49Å; K144-D1027 IonicContact NZ-OD1 2.88Å; K144-D1027 PolarHBondContact NZ-OD1 3.49Å; T1025-D1027 PolarHBondContact O-N 3.44Å; T1025-D1027 VanDerWaalsContact O-N 3.15Å; D1027-F1029 VanDerWaalsContact O-CD2 3.3Å; D1027-F1029 WeakPolarHBondContact O-CD2 3.33Å; D1027-F1029 WeakPolarHBondContact O-CE2 3.38Å |
| 1028 | L | 70.4 | Confident | 74.6 | Confident | 19 Ų | 19 | 65.7 Ų | 65.7 | 10% | 0.099 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -90.3 | -9.1 | 175.2 | -61.9 | 170.9 | 0 | 0 | 0 | 112.5 | Q988 A1021 T1025 T1026 L1030 | Q988-L1028 HydrophobicContact CG-CD1 3.58Å; A1021-L1028 HydrophobicContact CB-CD1 4.3Å; T1025-L1028 HydrophobicContact CG2-CD1 4.09Å; T1025-L1028 VanDerWaalsContact O-CB 3.31Å; T1025-L1028 WeakPolarHBondContact O-CB 3.21Å; T1025-L1028 PolarHBondContact O-N 3.45Å; T1026-L1028 PolarHBondContact O-N 2.89Å; L1028-L1030 HydrophobicContact CB-CD1 4.45Å; L1028-L1030 HydrophobicContact CB-CD2 3.87Å; L1028-L1030 HydrophobicContact CB-CG 3.81Å; L1028-L1030 HydrophobicContact CD1-CD1 4.41Å; L1028-L1030 PolarHBondContact O-N 2.98Å; L1028-L1030 VanDerWaalsContact O-N 3.16Å |
| 1029 | F | 77.8 | Confident | 74.4 | Confident | 35 Ų | 35 | 65.8 Ų | 65.8 | 15% | 0.154 | 33% | 0.334 | C | S | . | . | trans | 49.4 | 40.9 | 178.3 | -56.3 | -87.7 | 0 | 0 | 0 | 113.3 | V189 H193 T1026 D1027 E1031 E1032 R1033 | V189-F1029 HydrophobicContact CB-CB 4.08Å; V189-F1029 HydrophobicContact CB-CD2 4.38Å; V189-F1029 HydrophobicContact CB-CG 4.43Å; V189-F1029 HydrophobicContact CG1-CB 3.34Å; V189-F1029 HydrophobicContact CG1-CD1 4.21Å; V189-F1029 HydrophobicContact CG1-CD2 3.89Å; V189-F1029 HydrophobicContact CG1-CG 3.57Å; H193-F1029 HydrophobicContact CB-CE1 4.38Å; H193-F1029 HydrophobicContact CB-CE2 4.3Å; H193-F1029 HydrophobicContact CB-CZ 3.86Å; H193-F1029 AromaticContact CD2-CE1 3.76Å; H193-F1029 AromaticContact CD2-CZ 3.71Å; H193-F1029 AromaticContact CG-CZ 3.55Å; H193-F1029 AromaticContact ND1-CZ 3.88Å; T1026-F1029 PolarHBondContact O-N 3.34Å; D1027-F1029 VanDerWaalsContact O-CD2 3.3Å; D1027-F1029 WeakPolarHBondContact O-CD2 3.33Å; D1027-F1029 WeakPolarHBondContact O-CE2 3.38Å; F1029-E1031 VanDerWaalsContact C-N 3.27Å; F1029-E1031 PolarHBondContact O-N 2.85Å; F1029-E1032 HydrophobicContact CB-CB 4.33Å; F1029-E1032 PolarHBondContact O-N 3.44Å; F1029-R1033 PolarHBondContact O-N 3Å | ||
| 1030 | L | 77.6 | Confident | 74.2 | Confident | 26 Ų | 26 | 65.4 Ų | 65.4 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -35 | -172.8 | -62.6 | 177.6 | 0 | 0 | 0 | 112.3 | A987 V991 L1028 R1033 E1034 | A987-L1030 HydrophobicContact CB-CD1 3.64Å; V991-L1030 HydrophobicContact CB-CD2 4.3Å; V991-L1030 HydrophobicContact CG1-CD2 4.42Å; V991-L1030 HydrophobicContact CG2-CB 4.29Å; V991-L1030 HydrophobicContact CG2-CD2 4.11Å; L1028-L1030 HydrophobicContact CB-CD1 4.45Å; L1028-L1030 HydrophobicContact CB-CD2 3.87Å; L1028-L1030 HydrophobicContact CB-CG 3.81Å; L1028-L1030 HydrophobicContact CD1-CD1 4.41Å; L1028-L1030 PolarHBondContact O-N 2.98Å; L1028-L1030 VanDerWaalsContact O-N 3.16Å; L1030-R1033 PolarHBondContact O-N 3.12Å; L1030-E1034 VanDerWaalsContact O-CB 3.25Å; L1030-E1034 WeakPolarHBondContact O-CB 3.27Å; L1030-E1034 PolarHBondContact O-N 3.44Å |
| 1031 | E | 73.7 | Confident | 74 | Confident | 167 Ų | 167 | 66.4 Ų | 66.4 | 78% | 0.78 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -69.6 | -43.6 | 177.7 | -173.6 | 173.2 | -168.7 | 0 | 0 | 112.4 | F1029 R1033 E1034 S1035 | F1029-E1031 VanDerWaalsContact C-N 3.27Å; F1029-E1031 PolarHBondContact O-N 2.85Å; E1031-R1033 VanDerWaalsContact C-N 3.3Å; E1031-R1033 PolarHBondContact O-N 2.95Å; E1031-E1034 PolarHBondContact O-N 3.22Å; E1031-S1035 WeakPolarHBondContact O-CB 3.4Å; E1031-S1035 PolarHBondContact O-N 3.1Å |
| 1032 | E | 78.4 | Confident | 74.4 | Confident | 111 Ų | 111 | 71.7 Ų | 71.7 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 174.4 | -64.6 | -180 | -173.9 | 0 | 0 | 111 | V189 F1029 S1035 A1036 | V189-E1032 VanDerWaalsContact CG1-OE2 3.26Å; V189-E1032 WeakPolarHBondContact CG1-OE2 3.07Å; F1029-E1032 HydrophobicContact CB-CB 4.33Å; F1029-E1032 PolarHBondContact O-N 3.44Å; E1032-S1035 PolarHBondContact O-N 3.36Å; E1032-A1036 WeakPolarHBondContact O-CB 3.31Å; E1032-A1036 PolarHBondContact O-N 3.27Å |
| 1033 | R | 78.8 | Confident | 75 | Confident | 32 Ų | 32 | 75.2 Ų | 75.2 | 12% | 0.121 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 175.6 | -169.4 | 58.5 | 158.9 | -179 | -7.4 | 111 | V991 H1009 D1012 F1029 L1030 E1031 S1035 A1036 L1037 | V991-R1033 HydrophobicContact CG1-CB 4.37Å; V991-R1033 HydrophobicContact CG1-CG 3.92Å; H1009-R1033 PolarHBondContact ND1-NH2 2.88Å; H1009-R1033 VanDerWaalsContact ND1-NH2 3.16Å; D1012-R1033 IonicContact OD2-CZ 2.7Å; D1012-R1033 IonicContact OD2-NE 4Å; D1012-R1033 IonicContact OD2-NH2 2.72Å; D1012-R1033 PolarHBondContact OD2-NH2 3.29Å; F1029-R1033 PolarHBondContact O-N 3Å; L1030-R1033 PolarHBondContact O-N 3.12Å; E1031-R1033 VanDerWaalsContact C-N 3.3Å; E1031-R1033 PolarHBondContact O-N 2.95Å; R1033-S1035 VanDerWaalsContact C-N 3.33Å; R1033-S1035 PolarHBondContact O-N 3.37Å; R1033-A1036 PolarHBondContact O-N 2.97Å; R1033-L1037 HydrophobicContact CG-CD1 4.45Å; R1033-L1037 VanDerWaalsContact O-CG 3.25Å; R1033-L1037 WeakPolarHBondContact O-CG 3.48Å; R1033-L1037 PolarHBondContact O-N 3.05Å |
| 1034 | E | 78.8 | Confident | 75.8 | Confident | 82 Ų | 82 | 66.6 Ų | 66.6 | 38% | 0.383 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 176.5 | -170 | 179.3 | 170.3 | 0 | 0 | 111.3 | L1030 E1031 L1037 R1038 | L1030-E1034 VanDerWaalsContact O-CB 3.25Å; L1030-E1034 WeakPolarHBondContact O-CB 3.27Å; L1030-E1034 PolarHBondContact O-N 3.44Å; E1031-E1034 PolarHBondContact O-N 3.22Å; E1034-L1037 PolarHBondContact O-N 3.16Å; E1034-R1038 VanDerWaalsContact CD-NH2 3.34Å; E1034-R1038 WeakPolarHBondContact O-CG 3.43Å; E1034-R1038 PolarHBondContact O-N 3.46Å; E1034-R1038 IonicContact OE1-CZ 2.81Å; E1034-R1038 IonicContact OE1-NE 3.34Å; E1034-R1038 IonicContact OE1-NH2 3.49Å; E1034-R1038 PolarHBondContact OE1-NH2 3.04Å; E1034-R1038 IonicContact OE2-NH2 3.33Å |
| 1035 | S | 79.9 | Confident | 76.2 | Confident | 73 Ų | 73 | 67.5 Ų | 67.5 | 51% | 0.51 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 173.8 | -172.5 | 0 | 0 | 0 | 0 | 112.2 | E1031 E1032 R1033 L1037 R1038 Q1039 | E1031-S1035 WeakPolarHBondContact O-CB 3.4Å; E1031-S1035 PolarHBondContact O-N 3.1Å; E1032-S1035 PolarHBondContact O-N 3.36Å; R1033-S1035 VanDerWaalsContact C-N 3.33Å; R1033-S1035 PolarHBondContact O-N 3.37Å; S1035-L1037 VanDerWaalsContact C-N 3.33Å; S1035-L1037 PolarHBondContact O-N 3.31Å; S1035-R1038 PolarHBondContact O-N 3.31Å; S1035-Q1039 PolarHBondContact O-N 3.02Å |
| 1036 | A | 81 | Confident | 77 | Confident | 45 Ų | 45 | 71.7 Ų | 71.7 | 37% | 0.372 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | E1032 R1033 Q1039 A1040 | E1032-A1036 WeakPolarHBondContact O-CB 3.31Å; E1032-A1036 PolarHBondContact O-N 3.27Å; R1033-A1036 PolarHBondContact O-N 2.97Å; A1036-Q1039 PolarHBondContact O-N 3.24Å; A1036-A1040 WeakPolarHBondContact O-CB 3.46Å; A1036-A1040 PolarHBondContact O-N 2.88Å |
| 1037 | L | 82.8 | Confident | 77.3 | Confident | 6 Ų | 6 | 73.1 Ų | 73.1 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 175 | -67.8 | 177.6 | 0 | 0 | 0 | 111.9 | V991 L999 R1033 E1034 S1035 A1040 Q1041 | V991-L1037 HydrophobicContact CG1-CD1 4.24Å; L999-L1037 HydrophobicContact CD1-CD2 3.7Å; L999-L1037 HydrophobicContact CD2-CD2 4Å; L999-L1037 HydrophobicContact CG-CD2 3.68Å; R1033-L1037 HydrophobicContact CG-CD1 4.45Å; R1033-L1037 VanDerWaalsContact O-CG 3.25Å; R1033-L1037 WeakPolarHBondContact O-CG 3.48Å; R1033-L1037 PolarHBondContact O-N 3.05Å; E1034-L1037 PolarHBondContact O-N 3.16Å; S1035-L1037 VanDerWaalsContact C-N 3.33Å; S1035-L1037 PolarHBondContact O-N 3.31Å; L1037-A1040 PolarHBondContact O-N 2.74Å; L1037-Q1041 WeakPolarHBondContact O-CB 3.15Å; L1037-Q1041 PolarHBondContact O-N 3.29Å |
| 1038 | R | 81.3 | Confident | 77.5 | Confident | 142 Ų | 142 | 73.5 Ų | 73.5 | 54% | 0.536 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 172.8 | -72.9 | 178.8 | -164.6 | 168.7 | 5.4 | 111.3 | E1034 S1035 A1040 Q1041 E1042 | E1034-R1038 VanDerWaalsContact CD-NH2 3.34Å; E1034-R1038 WeakPolarHBondContact O-CG 3.43Å; E1034-R1038 PolarHBondContact O-N 3.46Å; E1034-R1038 IonicContact OE1-CZ 2.81Å; E1034-R1038 IonicContact OE1-NE 3.34Å; E1034-R1038 IonicContact OE1-NH2 3.49Å; E1034-R1038 PolarHBondContact OE1-NH2 3.04Å; E1034-R1038 IonicContact OE2-NH2 3.33Å; S1035-R1038 PolarHBondContact O-N 3.31Å; R1038-A1040 PolarHBondContact O-N 3.36Å; R1038-Q1041 WeakPolarHBondContact O-CB 3.35Å; R1038-Q1041 PolarHBondContact O-N 2.79Å; R1038-E1042 WeakPolarHBondContact O-CG 3.45Å; R1038-E1042 PolarHBondContact O-N 3.23Å |
| 1039 | Q | 82.4 | Confident | 77.2 | Confident | 107 Ų | 107 | 74.6 Ų | 74.6 | 50% | 0.5 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 176.3 | -174.5 | -177 | -11.4 | 0 | 0 | 111.6 | S1035 A1036 Q1041 E1042 E1043 | S1035-Q1039 PolarHBondContact O-N 3.02Å; A1036-Q1039 PolarHBondContact O-N 3.24Å; Q1039-Q1041 VanDerWaalsContact C-N 3.26Å; Q1039-Q1041 PolarHBondContact O-N 3.46Å; Q1039-E1042 PolarHBondContact O-N 3.38Å; Q1039-E1043 PolarHBondContact NE2-OE1 3.47Å; Q1039-E1043 VanDerWaalsContact NE2-OE1 3.07Å; Q1039-E1043 WeakPolarHBondContact O-CG 3.46Å; Q1039-E1043 PolarHBondContact O-N 2.92Å |
| 1040 | A | 79.6 | Confident | 76.4 | Confident | 24 Ų | 24 | 77 Ų | 77 | 20% | 0.198 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.6 | -38.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L999 A1036 L1037 R1038 E1043 K1044 | L999-A1040 HydrophobicContact CD2-CB 3.76Å; A1036-A1040 WeakPolarHBondContact O-CB 3.46Å; A1036-A1040 PolarHBondContact O-N 2.88Å; L1037-A1040 PolarHBondContact O-N 2.74Å; R1038-A1040 PolarHBondContact O-N 3.36Å; A1040-E1043 PolarHBondContact O-N 2.7Å; A1040-K1044 VanDerWaalsContact O-CB 3.22Å; A1040-K1044 WeakPolarHBondContact O-CB 3.41Å; A1040-K1044 PolarHBondContact O-N 2.69Å |
| 1041 | Q | 79.1 | Confident | 75.5 | Confident | 95 Ų | 95 | 79 Ų | 79 | 44% | 0.444 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 175 | -173.7 | 170.4 | -4.8 | 0 | 0 | 112.6 | L1037 R1038 Q1039 K1044 H1045 | L1037-Q1041 WeakPolarHBondContact O-CB 3.15Å; L1037-Q1041 PolarHBondContact O-N 3.29Å; R1038-Q1041 WeakPolarHBondContact O-CB 3.35Å; R1038-Q1041 PolarHBondContact O-N 2.79Å; Q1039-Q1041 VanDerWaalsContact C-N 3.26Å; Q1039-Q1041 PolarHBondContact O-N 3.46Å; Q1041-K1044 WeakPolarHBondContact O-CB 3.5Å; Q1041-H1045 WeakPolarHBondContact O-CB 3.45Å; Q1041-H1045 PolarHBondContact O-N 3.16Å |
| 1042 | E | 80.6 | Confident | 74.1 | Confident | 117 Ų | 117 | 77.2 Ų | 77.2 | 55% | 0.547 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 172.8 | -74.2 | 179 | -168 | 0 | 0 | 112.3 | R1038 Q1039 H1045 K1046 | R1038-E1042 WeakPolarHBondContact O-CG 3.45Å; R1038-E1042 PolarHBondContact O-N 3.23Å; Q1039-E1042 PolarHBondContact O-N 3.38Å; E1042-H1045 PolarHBondContact O-N 3.33Å; E1042-K1046 WeakPolarHBondContact O-CG 3.35Å; E1042-K1046 PolarHBondContact O-N 3.29Å |
| 1043 | E | 79.1 | Confident | 72.9 | Confident | 96 Ų | 96 | 75.8 Ų | 75.8 | 45% | 0.449 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 175.7 | -76.7 | 177.7 | -169.7 | 0 | 0 | 111.4 | Q1039 A1040 K1046 L1047 | Q1039-E1043 PolarHBondContact NE2-OE1 3.47Å; Q1039-E1043 VanDerWaalsContact NE2-OE1 3.07Å; Q1039-E1043 WeakPolarHBondContact O-CG 3.46Å; Q1039-E1043 PolarHBondContact O-N 2.92Å; A1040-E1043 PolarHBondContact O-N 2.7Å; E1043-K1046 WeakPolarHBondContact O-CB 3.47Å; E1043-K1046 PolarHBondContact O-N 2.82Å; E1043-L1047 WeakPolarHBondContact O-CG 3.34Å; E1043-L1047 PolarHBondContact O-N 3.46Å |
| 1044 | K | 77.8 | Confident | 71.6 | Confident | 10 Ų | 10 | 78.9 Ų | 78.9 | 4% | 0.043 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -56.9 | -48.1 | 170.4 | 177.4 | -176.7 | 178.4 | -173.1 | 0 | 112 | E949 F997 N1000 Q1001 A1040 Q1041 K1046 L1047 Q1048 | E949-K1044 IonicContact OE1-NZ 3.98Å; E949-K1044 PolarHBondContact OE1-NZ 3.44Å; E949-K1044 IonicContact OE2-NZ 2.87Å; E949-K1044 PolarHBondContact OE2-NZ 3.31Å; F997-K1044 PolarHBondContact O-NZ 3.05Å; N1000-K1044 PolarHBondContact ND2-NZ 2.78Å; N1000-K1044 VanDerWaalsContact OD1-CE 3.32Å; N1000-K1044 WeakPolarHBondContact OD1-CE 3.41Å; N1000-K1044 PolarHBondContact OD1-NZ 2.93Å; Q1001-K1044 HydrophobicContact CG-CD 4.41Å; Q1001-K1044 HydrophobicContact CG-CG 4.49Å; A1040-K1044 VanDerWaalsContact O-CB 3.22Å; A1040-K1044 WeakPolarHBondContact O-CB 3.41Å; A1040-K1044 PolarHBondContact O-N 2.69Å; Q1041-K1044 WeakPolarHBondContact O-CB 3.5Å; K1044-K1046 VanDerWaalsContact C-N 3.32Å; K1044-K1046 PolarHBondContact O-N 2.91Å; K1044-L1047 PolarHBondContact O-N 2.89Å; K1044-Q1048 WeakPolarHBondContact O-CG 3.41Å; K1044-Q1048 PolarHBondContact O-N 3.36Å |
| 1045 | H | 72.6 | Confident | 70.2 | Confident | 82 Ų | 82 | 76.2 Ų | 76.2 | 38% | 0.38 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 176.3 | -173.2 | -90.6 | 0 | 0 | 0 | 111.5 | Q1041 E1042 L1047 Q1048 M1049 | Q1041-H1045 WeakPolarHBondContact O-CB 3.45Å; Q1041-H1045 PolarHBondContact O-N 3.16Å; E1042-H1045 PolarHBondContact O-N 3.33Å; H1045-L1047 PolarHBondContact O-N 3.21Å; H1045-Q1048 PolarHBondContact O-N 3.42Å; H1045-M1049 WeakPolarHBondContact O-CB 3.42Å; H1045-M1049 WeakPolarHBondContact O-CG 3.36Å; H1045-M1049 PolarHBondContact O-N 3.49Å |
| 1046 | K | 75.6 | Confident | 68.6 | Low | 132 Ų | 132 | 77 Ų | 77 | 57% | 0.574 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.7 | -40.7 | 174.6 | -72.6 | 169.9 | -174.4 | 167.4 | 0 | 112.7 | E1042 E1043 K1044 M1049 S1050 | E1042-K1046 WeakPolarHBondContact O-CG 3.35Å; E1042-K1046 PolarHBondContact O-N 3.29Å; E1043-K1046 WeakPolarHBondContact O-CB 3.47Å; E1043-K1046 PolarHBondContact O-N 2.82Å; K1044-K1046 VanDerWaalsContact C-N 3.32Å; K1044-K1046 PolarHBondContact O-N 2.91Å; K1046-M1049 PolarHBondContact O-N 3.49Å; K1046-S1050 PolarHBondContact O-N 3.02Å |
| 1047 | L | 71.6 | Confident | 66.9 | Low | 111 Ų | 111 | 79 Ų | 79 | 58% | 0.581 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.3 | -44.1 | 176.1 | -74.8 | 165.8 | 0 | 0 | 0 | 111.2 | E1043 K1044 H1045 S1050 | E1043-L1047 WeakPolarHBondContact O-CG 3.34Å; E1043-L1047 PolarHBondContact O-N 3.46Å; K1044-L1047 PolarHBondContact O-N 2.89Å; H1045-L1047 PolarHBondContact O-N 3.21Å; L1047-S1050 PolarHBondContact O-N 2.91Å; L1047-S1050 PolarHBondContact O-OG 3.12Å |
| 1048 | Q | 67.8 | Low | 65.2 | Low | 32 Ų | 32 | 87 Ų | 87 | 15% | 0.15 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 174.9 | -69.9 | 171.7 | -23.1 | 0 | 0 | 112 | K1044 H1045 S1050 V1051 I1054 L1055 | K1044-Q1048 WeakPolarHBondContact O-CG 3.41Å; K1044-Q1048 PolarHBondContact O-N 3.36Å; H1045-Q1048 PolarHBondContact O-N 3.42Å; Q1048-S1050 VanDerWaalsContact C-N 3.26Å; Q1048-S1050 PolarHBondContact O-N 3.08Å; Q1048-V1051 PolarHBondContact O-N 3.36Å; Q1048-I1054 HydrophobicContact CB-CG2 3.9Å; Q1048-I1054 HydrophobicContact CG-CG2 4.11Å; Q1048-L1055 HydrophobicContact CB-CD1 4.21Å; Q1048-L1055 HydrophobicContact CB-CD2 4.26Å; Q1048-L1055 HydrophobicContact CB-CG 4.22Å |
| 1049 | M | 64.6 | Low | 63.5 | Low | 41 Ų | 41 | 85.5 Ų | 85.5 | 20% | 0.202 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.1 | -29 | 173.8 | -74.7 | -72.6 | -64.7 | 0 | 0 | 113.4 | H1045 K1046 V1051 L1055 L1060 P1061 M1064 | H1045-M1049 WeakPolarHBondContact O-CB 3.42Å; H1045-M1049 WeakPolarHBondContact O-CG 3.36Å; H1045-M1049 PolarHBondContact O-N 3.49Å; K1046-M1049 PolarHBondContact O-N 3.49Å; M1049-V1051 PolarHBondContact O-N 3.1Å; M1049-L1055 HydrophobicContact CB-CD1 4.2Å; M1049-L1055 HydrophobicContact CG-CD1 3.45Å; M1049-L1055 VanDerWaalsContact CG-CD1 3.45Å; M1049-L1055 HydrophobicContact SD-CD1 3.2Å; M1049-L1055 WeakPolarHBondContact SD-CD1 3.47Å; M1049-L1060 HydrophobicContact CE-CD2 4Å; M1049-L1060 HydrophobicContact SD-CD2 3.89Å; M1049-P1061 HydrophobicContact CE-CG 3.95Å; M1049-M1064 HydrophobicContact CE-SD 3.48Å; M1049-M1064 WeakPolarHBondContact CE-SD 3.34Å |
| 1050 | S | 62.4 | Low | 61.9 | Low | 85 Ų | 85 | 83.2 Ų | 83.2 | 59% | 0.594 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -10.6 | -178.5 | 76 | 0 | 0 | 0 | 0 | 114.2 | K1046 L1047 Q1048 | K1046-S1050 PolarHBondContact O-N 3.02Å; L1047-S1050 PolarHBondContact O-N 2.91Å; L1047-S1050 PolarHBondContact O-OG 3.12Å; Q1048-S1050 VanDerWaalsContact C-N 3.26Å; Q1048-S1050 PolarHBondContact O-N 3.08Å |
| 1051 | V | 57.3 | Low | 60.7 | Low | 69 Ų | 69 | 85 Ų | 85 | 42% | 0.418 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -112.9 | 108.7 | 179.1 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | Q1048 M1049 G1053 I1054 | Q1048-V1051 PolarHBondContact O-N 3.36Å; M1049-V1051 PolarHBondContact O-N 3.1Å; V1051-G1053 PolarHBondContact O-N 3.44Å; V1051-I1054 HydrophobicContact CB-CD1 3.55Å; V1051-I1054 HydrophobicContact CB-CG1 3.95Å; V1051-I1054 HydrophobicContact CG1-CD1 3.59Å; V1051-I1054 HydrophobicContact CG1-CG1 3.85Å; V1051-I1054 HydrophobicContact CG2-CD1 4.09Å; V1051-I1054 PolarHBondContact O-N 3.06Å |
| 1052 | P | 45.5 | Very low | 59.3 | Low | 130 Ų | 130 | 89.4 Ų | 89.4 | 84% | 0.844 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 127.3 | -179 | -25 | 33.7 | 0 | 0 | 0 | 112.4 | ||
| 1053 | G | 53.4 | Low | 57.9 | Low | 81 Ų | 81 | 92.8 Ų | 92.8 | 84% | 0.835 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.2 | -0.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | V1051 | V1051-G1053 PolarHBondContact O-N 3.44Š|
| 1054 | I | 50.2 | Low | 56.3 | Low | 97 Ų | 97 | 94 Ų | 94 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -79.2 | -33.4 | 176.3 | -73.4 | -167.2 | 0 | 0 | 0 | 112.9 | Q1048 V1051 | Q1048-I1054 HydrophobicContact CB-CG2 3.9Å; Q1048-I1054 HydrophobicContact CG-CG2 4.11Å; V1051-I1054 HydrophobicContact CB-CD1 3.55Å; V1051-I1054 HydrophobicContact CB-CG1 3.95Å; V1051-I1054 HydrophobicContact CG1-CD1 3.59Å; V1051-I1054 HydrophobicContact CG1-CG1 3.85Å; V1051-I1054 HydrophobicContact CG2-CD1 4.09Å; V1051-I1054 PolarHBondContact O-N 3.06Å |
| 1055 | L | 49.6 | Very low | 54.4 | Low | 25 Ų | 25 | 97.2 Ų | 97.2 | 13% | 0.131 | 53% | 0.532 | C | S | . | . | S | Bend | trans | -100.1 | 144.6 | 179.4 | -67.1 | 167.5 | 0 | 0 | 0 | 110.6 | Q1048 M1049 E1059 | Q1048-L1055 HydrophobicContact CB-CD1 4.21Å; Q1048-L1055 HydrophobicContact CB-CD2 4.26Å; Q1048-L1055 HydrophobicContact CB-CG 4.22Å; M1049-L1055 HydrophobicContact CB-CD1 4.2Å; M1049-L1055 HydrophobicContact CG-CD1 3.45Å; M1049-L1055 VanDerWaalsContact CG-CD1 3.45Å; M1049-L1055 HydrophobicContact SD-CD1 3.2Å; M1049-L1055 WeakPolarHBondContact SD-CD1 3.47Å; L1055-E1059 HydrophobicContact CB-CB 4.47Å |
| 1056 | N | 46.9 | Very low | 52.6 | Low | 89 Ų | 89 | 104.2 Ų | 104.2 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | trans | -62.5 | 141.7 | 178.2 | -157 | -28.8 | 0 | 0 | 0 | 108.8 | H1058 E1059 | N1056-H1058 PolarHBondContact O-N 3.38Å; N1056-E1059 HydrophobicContact CB-CG 4.02Å; N1056-E1059 WeakPolarHBondContact CB-OE2 3.36Å; N1056-E1059 PolarHBondContact N-OE2 2.71Å; N1056-E1059 VanDerWaalsContact N-OE2 3.08Å; N1056-E1059 WeakPolarHBondContact O-CA 3.49Å; N1056-E1059 WeakPolarHBondContact O-CB 3.26Å; N1056-E1059 PolarHBondContact O-N 3.28Å | ||
| 1057 | P | 45.6 | Very low | 51.5 | Low | 87 Ų | 87 | 102.8 Ų | 102.8 | 57% | 0.565 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -20.9 | -179.3 | -31.2 | 36.7 | 0 | 0 | 0 | 115.6 | ||
| 1058 | H | 46.3 | Very low | 50.4 | Low | 176 Ų | 176 | 102.4 Ų | 102.4 | 82% | 0.815 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -9.5 | 174.6 | -61 | -54.2 | 0 | 0 | 0 | 114.6 | N1056 | N1056-H1058 PolarHBondContact O-N 3.38Š|
| 1059 | E | 44.6 | Very low | 49.5 | Very low | 110 Ų | 110 | 106.3 Ų | 106.3 | 51% | 0.514 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.7 | -4.4 | 178.7 | -62.9 | 168.9 | 167.5 | 0 | 0 | 111.8 | L1055 N1056 | L1055-E1059 HydrophobicContact CB-CB 4.47Å; N1056-E1059 HydrophobicContact CB-CG 4.02Å; N1056-E1059 WeakPolarHBondContact CB-OE2 3.36Å; N1056-E1059 PolarHBondContact N-OE2 2.71Å; N1056-E1059 VanDerWaalsContact N-OE2 3.08Å; N1056-E1059 WeakPolarHBondContact O-CA 3.49Å; N1056-E1059 WeakPolarHBondContact O-CB 3.26Å; N1056-E1059 PolarHBondContact O-N 3.28Å |
| 1060 | L | 50.4 | Low | 48.6 | Very low | 58 Ų | 58 | 110.1 Ų | 110.1 | 30% | 0.304 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -78.4 | 137.4 | 172.9 | -66.1 | 170.8 | 0 | 0 | 0 | 110.3 | M1049 | M1049-L1060 HydrophobicContact CE-CD2 4Å; M1049-L1060 HydrophobicContact SD-CD2 3.89Å |
| 1061 | P | 53.5 | Low | 47.7 | Very low | 61 Ų | 61 | 111.7 Ų | 111.7 | 40% | 0.396 | 62% | 0.619 | S | S | . | * | trans | -57.9 | 142 | 169.4 | -19.1 | 30.7 | 0 | 0 | 0 | 110.9 | M1049 E1063 M1064 | M1049-P1061 HydrophobicContact CE-CG 3.95Å; P1061-E1063 PolarHBondContact O-N 2.86Å; P1061-M1064 PolarHBondContact O-N 2.92Å | ||
| 1062 | E | 49.3 | Very low | 47.1 | Very low | 189 Ų | 189 | 114.5 Ų | 114.5 | 88% | 0.883 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -52.4 | -27.4 | -179.1 | -75 | -177 | 159 | 0 | 0 | 113.4 | M1064 | E1062-M1064 VanDerWaalsContact C-N 3.29Å; E1062-M1064 PolarHBondContact O-N 3.16Å |
| 1063 | E | 51.6 | Low | 47.2 | Very low | 187 Ų | 187 | 113.4 Ų | 113.4 | 87% | 0.874 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -72 | -11.5 | 178.1 | -64.2 | -178.4 | 167.3 | 0 | 0 | 115 | P1061 | P1061-E1063 PolarHBondContact O-N 2.86Š|
| 1064 | M | 46.4 | Very low | 46.7 | Very low | 121 Ų | 121 | 115.9 Ų | 115.9 | 60% | 0.596 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -111.9 | 6.4 | -179 | -64.9 | -166.4 | 74.9 | 0 | 0 | 113.9 | M1049 P1061 E1062 | M1049-M1064 HydrophobicContact CE-SD 3.48Å; M1049-M1064 WeakPolarHBondContact CE-SD 3.34Å; P1061-M1064 PolarHBondContact O-N 2.92Å; E1062-M1064 VanDerWaalsContact C-N 3.29Å; E1062-M1064 PolarHBondContact O-N 3.16Å |
| 1065 | C | 37.2 | Very low | 46.4 | Very low | 79 Ų | 79 | 117.5 Ų | 117.5 | 53% | 0.534 | 61% | 0.609 | S | S | . | * | trans | -91.7 | 6.4 | 179.9 | -88.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1066 | D | 35.3 | Very low | 46.1 | Very low | 228 Ų | 228 | 125.9 Ų | 125.9 | 100% | 1.219 | 65% | 0.652 | S | S | * | * | trans | -99.7 | 0 | 175.6 | -83.5 | -18.6 | 0 | 0 | 0 | 113.4 |
Retrieved 1,066 of 1,066 residues in 6521.2 ms
(Link to these results)