| 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 | 52.3 | Low | 85.9 | Confident | 173 Ų | 173 | 94.5 Ų | 94.5 | 85% | 0.852 | 47% | 0.466 | S | S | * | . | 0 | 163.2 | 0 | -85.1 | -172.3 | -83.4 | 0 | 0 | 110.4 | E40 | M1-E40 VanDerWaalsContact CE-CD 3.45Å; M1-E40 WeakPolarHBondContact CE-OE1 3.31Å; M1-E40 VanDerWaalsContact CE-OE2 3.27Å; M1-E40 WeakPolarHBondContact CE-OE2 3.3Å | |||
| 2 | P | 63.1 | Low | 86.8 | Confident | 121 Ų | 121 | 98.9 Ų | 98.9 | 79% | 0.786 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 153.7 | 167.1 | 27.7 | -35.9 | 0 | 0 | 0 | 111.2 | ||
| 3 | A | 79.5 | Confident | 87.5 | Confident | 61 Ų | 61 | 95.3 Ų | 95.3 | 50% | 0.504 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 128.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I5 Y45 | A3-I5 PolarHBondContact O-N 3.46Å; A3-Y45 HydrophobicContact CB-CE2 4.3Å |
| 4 | P | 85.2 | Confident | 88 | Confident | 32 Ų | 32 | 89.4 Ų | 89.4 | 21% | 0.208 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 138.1 | -180 | -25.1 | 34.3 | 0 | 0 | 0 | 112.5 | Y45 R48 | P4-Y45 HydrophobicContact CG-CD2 3.78Å; P4-Y45 HydrophobicContact CG-CG 4.17Å; P4-R48 VanDerWaalsContact O-CD 3.29Å; P4-R48 WeakPolarHBondContact O-CD 3.43Å; P4-R48 PolarHBondContact O-NH1 3.44Å |
| 5 | I | 92.6 | Very high | 88.5 | Confident | 64 Ų | 64 | 97.1 Ų | 97.1 | 33% | 0.328 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 153 | -174.2 | 63.1 | 169.8 | 0 | 0 | 0 | 112.6 | A3 E9 L10 E30 K52 | A3-I5 PolarHBondContact O-N 3.46Å; I5-E9 HydrophobicContact CB-CB 4.44Å; I5-L10 HydrophobicContact CD1-CB 4.09Å; I5-E30 WeakPolarHBondContact CG1-OE1 3.22Å; I5-K52 HydrophobicContact CG1-CD 4.27Å; I5-K52 WeakPolarHBondContact O-CD 3.37Å; I5-K52 WeakPolarHBondContact O-CE 3.46Å; I5-K52 PolarHBondContact O-NZ 2.81Å |
| 6 | R | 94.6 | Very high | 89 | Confident | 188 Ų | 188 | 96.4 Ų | 96.4 | 71% | 0.709 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -78 | 150.7 | 178.6 | -61.8 | -178.8 | -179.2 | -173.9 | 0.1 | 110.2 | R8 E9 L10 | R6-R8 VanDerWaalsContact C-N 3.3Å; R6-R8 PolarHBondContact O-N 3.01Å; R6-E9 WeakPolarHBondContact O-CA 3.3Å; R6-E9 WeakPolarHBondContact O-CB 3.31Å; R6-E9 PolarHBondContact O-N 2.9Å; R6-L10 PolarHBondContact O-N 2.7Å |
| 7 | L | 94.4 | Very high | 89.4 | Confident | 58 Ų | 58 | 92.2 Ų | 92.2 | 30% | 0.304 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -48.1 | -46.1 | 178.8 | 173.4 | 61.5 | 0 | 0 | 0 | 113.8 | E9 L10 I11 A51 K52 Y55 | L7-E9 PolarHBondContact O-N 3.16Å; L7-L10 PolarHBondContact O-N 3.37Å; L7-I11 HydrophobicContact CD1-CD1 3.82Å; L7-I11 HydrophobicContact CD1-CG1 4.1Å; L7-I11 HydrophobicContact CD2-CD1 4.48Å; L7-I11 HydrophobicContact CG-CD1 3.77Å; L7-I11 HydrophobicContact CG-CG1 4.46Å; L7-I11 VanDerWaalsContact O-CG1 3.32Å; L7-I11 WeakPolarHBondContact O-CG1 3.31Å; L7-I11 PolarHBondContact O-N 2.82Å; L7-A51 HydrophobicContact CD2-CB 4.32Å; L7-K52 HydrophobicContact CB-CG 4.35Å; L7-K52 HydrophobicContact CD1-CG 4.17Å; L7-Y55 HydrophobicContact CD1-CG 4.26Å |
| 8 | R | 95.8 | Very high | 89.7 | Confident | 215 Ų | 215 | 99.8 Ų | 99.8 | 81% | 0.811 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63 | -26.1 | 178.9 | -68.1 | -174.9 | -178.2 | 172 | 0.2 | 113.7 | R6 R12 | R6-R8 VanDerWaalsContact C-N 3.3Å; R6-R8 PolarHBondContact O-N 3.01Å; R8-R12 PolarHBondContact O-N 3.38Å; R8-R12 VanDerWaalsContact O-N 3.11Å |
| 9 | E | 95.6 | Very high | 90.1 | Very high | 77 Ų | 77 | 98.8 Ų | 98.8 | 36% | 0.36 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -78.4 | -43.8 | 177.6 | -153.6 | 58.7 | -128.4 | 0 | 0 | 110.5 | I5 R6 L7 I11 R12 T13 | I5-E9 HydrophobicContact CB-CB 4.44Å; R6-E9 WeakPolarHBondContact O-CA 3.3Å; R6-E9 WeakPolarHBondContact O-CB 3.31Å; R6-E9 PolarHBondContact O-N 2.9Å; L7-E9 PolarHBondContact O-N 3.16Å; E9-I11 VanDerWaalsContact C-N 3.33Å; E9-I11 PolarHBondContact O-N 2.78Å; E9-R12 WeakPolarHBondContact O-CA 3.45Å; E9-R12 WeakPolarHBondContact O-CB 3.49Å; E9-R12 PolarHBondContact O-N 3.1Å; E9-R12 IonicContact OE1-CZ 2.89Å; E9-R12 IonicContact OE1-NE 2.7Å; E9-R12 IonicContact OE1-NH1 2.76Å; E9-R12 PolarHBondContact OE1-NH1 3.05Å; E9-R12 IonicContact OE2-CZ 3.54Å; E9-R12 IonicContact OE2-NH1 2.72Å; E9-R12 PolarHBondContact OE2-NH1 2.93Å; E9-T13 PolarHBondContact O-N 2.68Å; E9-T13 PolarHBondContact O-OG1 3.3Å; E9-T13 VanDerWaalsContact O-OG1 3.1Å |
| 10 | L | 95.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 101.7 Ų | 101.7 | 2% | 0.016 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -55.5 | -48.6 | 169.8 | 176.5 | 63.6 | 0 | 0 | 0 | 111.1 | I5 R6 L7 R12 T13 I14 E30 K52 Y55 M56 | I5-L10 HydrophobicContact CD1-CB 4.09Å; R6-L10 PolarHBondContact O-N 2.7Å; L7-L10 PolarHBondContact O-N 3.37Å; L10-R12 PolarHBondContact O-N 3.36Å; L10-T13 PolarHBondContact O-N 3.48Å; L10-T13 VanDerWaalsContact O-N 3.11Å; L10-I14 HydrophobicContact CD1-CD1 4.11Å; L10-I14 HydrophobicContact CD1-CG1 3.83Å; L10-I14 HydrophobicContact CG-CG1 4.17Å; L10-I14 WeakPolarHBondContact O-CG1 3Å; L10-I14 PolarHBondContact O-N 3.25Å; L10-E30 HydrophobicContact CD1-CB 4.11Å; L10-E30 HydrophobicContact CD1-CG 3.97Å; L10-E30 HydrophobicContact CD2-CG 4.23Å; L10-K52 HydrophobicContact CB-CD 4.25Å; L10-K52 HydrophobicContact CB-CG 4.3Å; L10-K52 HydrophobicContact CD2-CB 3.7Å; L10-K52 HydrophobicContact CD2-CD 4.05Å; L10-K52 HydrophobicContact CD2-CG 3.69Å; L10-Y55 HydrophobicContact CD2-CD1 4.36Å; L10-M56 HydrophobicContact CD1-CE 4.47Å; L10-M56 HydrophobicContact CD2-CE 3.78Å; L10-M56 HydrophobicContact CD2-CG 4.43Å |
| 11 | I | 96.7 | Very high | 90.6 | Very high | 48 Ų | 48 | 99.8 Ų | 99.8 | 25% | 0.246 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -58.3 | -37.2 | 177.4 | -65.4 | 166.4 | 0 | 0 | 0 | 111.1 | L7 E9 R15 Y55 | L7-I11 HydrophobicContact CD1-CD1 3.82Å; L7-I11 HydrophobicContact CD1-CG1 4.1Å; L7-I11 HydrophobicContact CD2-CD1 4.48Å; L7-I11 HydrophobicContact CG-CD1 3.77Å; L7-I11 HydrophobicContact CG-CG1 4.46Å; L7-I11 VanDerWaalsContact O-CG1 3.32Å; L7-I11 WeakPolarHBondContact O-CG1 3.31Å; L7-I11 PolarHBondContact O-N 2.82Å; E9-I11 VanDerWaalsContact C-N 3.33Å; E9-I11 PolarHBondContact O-N 2.78Å; I11-R15 VanDerWaalsContact O-CB 3.3Å; I11-R15 WeakPolarHBondContact O-CB 3.37Å; I11-R15 VanDerWaalsContact O-CG 3.23Å; I11-R15 WeakPolarHBondContact O-CG 3.07Å; I11-R15 PolarHBondContact O-N 3.45Å; I11-R15 VanDerWaalsContact O-N 3.08Å; I11-Y55 HydrophobicContact CB-CE1 4.39Å; I11-Y55 HydrophobicContact CD1-CD2 4.35Å; I11-Y55 HydrophobicContact CD1-CE2 4.42Å; I11-Y55 HydrophobicContact CG1-CD1 3.83Å; I11-Y55 HydrophobicContact CG1-CD2 4.14Å; I11-Y55 HydrophobicContact CG1-CE1 3.64Å; I11-Y55 HydrophobicContact CG1-CE2 3.99Å; I11-Y55 HydrophobicContact CG1-CG 4.08Å |
| 12 | R | 96.9 | Very high | 92.7 | Very high | 147 Ų | 147 | 94.4 Ų | 94.4 | 56% | 0.555 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.8 | -47.7 | 174 | -174.9 | -174.5 | -69.6 | 138.4 | -2.1 | 111.3 | R8 E9 L10 R15 T16 | R8-R12 PolarHBondContact O-N 3.38Å; R8-R12 VanDerWaalsContact O-N 3.11Å; E9-R12 WeakPolarHBondContact O-CA 3.45Å; E9-R12 WeakPolarHBondContact O-CB 3.49Å; E9-R12 PolarHBondContact O-N 3.1Å; E9-R12 IonicContact OE1-CZ 2.89Å; E9-R12 IonicContact OE1-NE 2.7Å; E9-R12 IonicContact OE1-NH1 2.76Å; E9-R12 PolarHBondContact OE1-NH1 3.05Å; E9-R12 IonicContact OE2-CZ 3.54Å; E9-R12 IonicContact OE2-NH1 2.72Å; E9-R12 PolarHBondContact OE2-NH1 2.93Å; L10-R12 PolarHBondContact O-N 3.36Å; R12-R15 CarbonylContact O-C 3.59Å; R12-R15 PolarHBondContact O-N 2.94Å; R12-T16 PolarHBondContact O-N 3.25Å; R12-T16 VanDerWaalsContact O-N 3.15Å |
| 13 | T | 95.3 | Very high | 94.2 | Very high | 52 Ų | 52 | 90.8 Ų | 90.8 | 32% | 0.319 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.7 | -48 | 179.4 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | E9 L10 R15 T16 A17 M26 | E9-T13 PolarHBondContact O-N 2.68Å; E9-T13 PolarHBondContact O-OG1 3.3Å; E9-T13 VanDerWaalsContact O-OG1 3.1Å; L10-T13 PolarHBondContact O-N 3.48Å; L10-T13 VanDerWaalsContact O-N 3.11Å; T13-R15 VanDerWaalsContact C-N 3.29Å; T13-R15 PolarHBondContact O-N 3.14Å; T13-T16 PolarHBondContact O-N 3.47Å; T13-T16 PolarHBondContact O-OG1 3.36Å; T13-A17 PolarHBondContact O-N 3.18Å; T13-M26 HydrophobicContact CG2-CG 4.36Å; T13-M26 HydrophobicContact CG2-SD 3.76Å; T13-M26 VanDerWaalsContact O-SD 3.37Å |
| 14 | I | 95.4 | Very high | 95 | Very high | 12 Ų | 12 | 94.8 Ų | 94.8 | 6% | 0.062 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 175.1 | -64.2 | -50 | 0 | 0 | 0 | 111 | L10 T16 A17 E23 M26 I27 Y55 L59 | L10-I14 HydrophobicContact CD1-CD1 4.11Å; L10-I14 HydrophobicContact CD1-CG1 3.83Å; L10-I14 HydrophobicContact CG-CG1 4.17Å; L10-I14 WeakPolarHBondContact O-CG1 3Å; L10-I14 PolarHBondContact O-N 3.25Å; I14-T16 PolarHBondContact O-N 3.13Å; I14-A17 WeakPolarHBondContact O-CB 3.08Å; I14-A17 PolarHBondContact O-N 3.19Å; I14-A17 VanDerWaalsContact O-N 3.15Å; I14-E23 HydrophobicContact CD1-CG 4.49Å; I14-E23 HydrophobicContact CG2-CG 3.91Å; I14-M26 HydrophobicContact CD1-CB 3.69Å; I14-I27 HydrophobicContact CD1-CD1 3.58Å; I14-I27 HydrophobicContact CD1-CG1 3.71Å; I14-I27 HydrophobicContact CG1-CD1 3.99Å; I14-Y55 HydrophobicContact CB-CE1 4.49Å; I14-Y55 HydrophobicContact CG1-CE1 4.42Å; I14-Y55 HydrophobicContact CG2-CE1 4.49Å; I14-L59 HydrophobicContact CG2-CD1 3.99Å |
| 15 | R | 95.6 | Very high | 95.5 | Very high | 206 Ų | 206 | 99.8 Ų | 99.8 | 78% | 0.777 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -1.4 | 173.4 | -72.8 | -176 | 65.8 | -172 | -0.4 | 115.4 | I11 R12 T13 | I11-R15 VanDerWaalsContact O-CB 3.3Å; I11-R15 WeakPolarHBondContact O-CB 3.37Å; I11-R15 VanDerWaalsContact O-CG 3.23Å; I11-R15 WeakPolarHBondContact O-CG 3.07Å; I11-R15 PolarHBondContact O-N 3.45Å; I11-R15 VanDerWaalsContact O-N 3.08Å; R12-R15 CarbonylContact O-C 3.59Å; R12-R15 PolarHBondContact O-N 2.94Å; T13-R15 VanDerWaalsContact C-N 3.29Å; T13-R15 PolarHBondContact O-N 3.14Å |
| 16 | T | 96.4 | Very high | 95.6 | Very high | 85 Ų | 85 | 98.8 Ų | 98.8 | 52% | 0.521 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -10.1 | 168.8 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | R12 T13 I14 | R12-T16 PolarHBondContact O-N 3.25Å; R12-T16 VanDerWaalsContact O-N 3.15Å; T13-T16 PolarHBondContact O-N 3.47Å; T13-T16 PolarHBondContact O-OG1 3.36Å; I14-T16 PolarHBondContact O-N 3.13Å |
| 17 | A | 95.5 | Very high | 95.6 | Very high | 26 Ų | 26 | 89.9 Ų | 89.9 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | trans | -63.6 | 137.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | T13 I14 E22 E23 M26 | T13-A17 PolarHBondContact O-N 3.18Å; I14-A17 WeakPolarHBondContact O-CB 3.08Å; I14-A17 PolarHBondContact O-N 3.19Å; I14-A17 VanDerWaalsContact O-N 3.15Å; A17-E22 HydrophobicContact CB-CB 4.39Å; A17-E22 HydrophobicContact CB-CG 4.04Å; A17-E23 HydrophobicContact CB-CB 3.9Å; A17-E23 HydrophobicContact CB-CG 4.36Å; A17-M26 HydrophobicContact CB-CE 4.28Å; A17-M26 HydrophobicContact CB-SD 3.96Å | ||
| 18 | R | 95.4 | Very high | 95.6 | Very high | 229 Ų | 229 | 92.2 Ų | 92.2 | 86% | 0.864 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -98.5 | -18.3 | -179.5 | -54.9 | -178.9 | -178.9 | -161 | -0.2 | 112.6 | E22 | R18-E22 WeakPolarHBondContact CB-OE2 3.25Å; R18-E22 PolarHBondContact N-OE2 3.25Å |
| 19 | T | 96.8 | Very high | 95.6 | Very high | 80 Ų | 80 | 90 Ų | 90 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -137.7 | 154.2 | -179.8 | 68.4 | 0 | 0 | 0 | 0 | 110.7 | A21 E22 E23 | T19-A21 PolarHBondContact O-N 3.26Å; T19-E22 PolarHBondContact O-N 3.28Å; T19-E22 WeakPolarHBondContact OG1-CB 3.14Å; T19-E22 PolarHBondContact OG1-N 2.95Å; T19-E22 VanDerWaalsContact OG1-N 3.14Å; T19-E23 WeakPolarHBondContact O-CB 3.4Å; T19-E23 PolarHBondContact O-N 3.45Å |
| 20 | Q | 94.7 | Very high | 95.5 | Very high | 156 Ų | 156 | 87.6 Ų | 87.6 | 73% | 0.729 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.5 | -23.4 | 175.7 | -162.9 | -178.5 | 21.1 | 0 | 0 | 112.7 | R24 | Q20-R24 VanDerWaalsContact O-CB 3.22Å; Q20-R24 WeakPolarHBondContact O-CB 3.48Å; Q20-R24 PolarHBondContact O-N 2.99Å |
| 21 | A | 95.9 | Very high | 95.5 | Very high | 62 Ų | 62 | 87.8 Ų | 87.8 | 51% | 0.512 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.9 | -50.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T19 E23 R24 E25 | T19-A21 PolarHBondContact O-N 3.26Å; A21-E23 VanDerWaalsContact C-N 3.31Å; A21-E23 PolarHBondContact O-N 3Å; A21-R24 WeakPolarHBondContact O-CB 3.46Å; A21-R24 PolarHBondContact O-N 3.01Å; A21-E25 PolarHBondContact O-N 2.95Å |
| 22 | E | 95.3 | Very high | 95.4 | Very high | 61 Ų | 61 | 87.5 Ų | 87.5 | 29% | 0.285 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 173.7 | 178.5 | -177.9 | -170.4 | 0 | 0 | 111.5 | A17 R18 T19 E25 M26 | A17-E22 HydrophobicContact CB-CB 4.39Å; A17-E22 HydrophobicContact CB-CG 4.04Å; R18-E22 WeakPolarHBondContact CB-OE2 3.25Å; R18-E22 PolarHBondContact N-OE2 3.25Å; T19-E22 PolarHBondContact O-N 3.28Å; T19-E22 WeakPolarHBondContact OG1-CB 3.14Å; T19-E22 PolarHBondContact OG1-N 2.95Å; T19-E22 VanDerWaalsContact OG1-N 3.14Å; E22-E25 PolarHBondContact O-N 2.92Å; E22-M26 HydrophobicContact CG-CE 3.72Å; E22-M26 WeakPolarHBondContact O-CG 3.25Å; E22-M26 PolarHBondContact O-N 3.14Å |
| 23 | E | 95.8 | Very high | 95.2 | Very high | 45 Ų | 45 | 83 Ų | 83 | 21% | 0.21 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.4 | -49 | 173.5 | -163.4 | -155.7 | 111.4 | 0 | 0 | 111.1 | I14 A17 T19 A21 E25 M26 I27 Y61 | I14-E23 HydrophobicContact CD1-CG 4.49Å; I14-E23 HydrophobicContact CG2-CG 3.91Å; A17-E23 HydrophobicContact CB-CB 3.9Å; A17-E23 HydrophobicContact CB-CG 4.36Å; T19-E23 WeakPolarHBondContact O-CB 3.4Å; T19-E23 PolarHBondContact O-N 3.45Å; A21-E23 VanDerWaalsContact C-N 3.31Å; A21-E23 PolarHBondContact O-N 3Å; E23-E25 VanDerWaalsContact C-N 3.33Å; E23-E25 PolarHBondContact O-N 3.43Å; E23-M26 PolarHBondContact O-N 3.43Å; E23-I27 WeakPolarHBondContact O-CG1 3.5Å; E23-I27 PolarHBondContact O-N 3.09Å; E23-Y61 WeakPolarHBondContact OE1-CE2 3.38Å; E23-Y61 VanDerWaalsContact OE1-CZ 3.32Å; E23-Y61 PolarHBondContact OE1-OH 3.28Å |
| 24 | R | 95.9 | Very high | 95.2 | Very high | 145 Ų | 145 | 80.5 Ų | 80.5 | 55% | 0.547 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 178 | -179.1 | 177.3 | -178.3 | 122.5 | -4.8 | 112.3 | Q20 A21 Q28 Y61 | Q20-R24 VanDerWaalsContact O-CB 3.22Å; Q20-R24 WeakPolarHBondContact O-CB 3.48Å; Q20-R24 PolarHBondContact O-N 2.99Å; A21-R24 WeakPolarHBondContact O-CB 3.46Å; A21-R24 PolarHBondContact O-N 3.01Å; R24-Q28 WeakPolarHBondContact O-CB 3.42Å; R24-Q28 VanDerWaalsContact O-CG 3.24Å; R24-Q28 WeakPolarHBondContact O-CG 3.13Å; R24-Q28 PolarHBondContact O-N 3.49Å; R24-Y61 HydrophobicContact CB-CE1 4.26Å; R24-Y61 HydrophobicContact CG-CE1 4.21Å |
| 25 | E | 95.4 | Very high | 95.1 | Very high | 137 Ų | 137 | 85.4 Ų | 85.4 | 64% | 0.64 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.4 | -46.4 | 173.1 | -73.4 | 179.2 | -166.5 | 0 | 0 | 111.9 | A21 E22 E23 I27 Q28 K29 | A21-E25 PolarHBondContact O-N 2.95Å; E22-E25 PolarHBondContact O-N 2.92Å; E23-E25 VanDerWaalsContact C-N 3.33Å; E23-E25 PolarHBondContact O-N 3.43Å; E25-I27 VanDerWaalsContact C-N 3.35Å; E25-I27 PolarHBondContact O-N 2.85Å; E25-Q28 PolarHBondContact O-N 3.25Å; E25-K29 VanDerWaalsContact O-CB 3.31Å; E25-K29 WeakPolarHBondContact O-CB 3.47Å; E25-K29 PolarHBondContact O-N 2.82Å |
| 26 | M | 94.5 | Very high | 95 | Very high | 42 Ų | 42 | 78.6 Ų | 78.6 | 21% | 0.207 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 176 | -68.4 | 177.3 | -176.9 | 0 | 0 | 111.8 | T13 I14 A17 E22 E23 E30 | T13-M26 HydrophobicContact CG2-CG 4.36Å; T13-M26 HydrophobicContact CG2-SD 3.76Å; T13-M26 VanDerWaalsContact O-SD 3.37Å; I14-M26 HydrophobicContact CD1-CB 3.69Å; A17-M26 HydrophobicContact CB-CE 4.28Å; A17-M26 HydrophobicContact CB-SD 3.96Å; E22-M26 HydrophobicContact CG-CE 3.72Å; E22-M26 WeakPolarHBondContact O-CG 3.25Å; E22-M26 PolarHBondContact O-N 3.14Å; E23-M26 PolarHBondContact O-N 3.43Å; M26-E30 PolarHBondContact O-N 3.33Å; M26-E30 VanDerWaalsContact O-N 3.13Å |
| 27 | I | 95.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.2 | -50.7 | 175.2 | -65.3 | -78 | 0 | 0 | 0 | 110.2 | I14 E23 E25 K29 E30 C31 M56 L59 Y61 | I14-I27 HydrophobicContact CD1-CD1 3.58Å; I14-I27 HydrophobicContact CD1-CG1 3.71Å; I14-I27 HydrophobicContact CG1-CD1 3.99Å; E23-I27 WeakPolarHBondContact O-CG1 3.5Å; E23-I27 PolarHBondContact O-N 3.09Å; E25-I27 VanDerWaalsContact C-N 3.35Å; E25-I27 PolarHBondContact O-N 2.85Å; I27-K29 VanDerWaalsContact C-N 3.31Å; I27-K29 PolarHBondContact O-N 3.43Å; I27-E30 PolarHBondContact O-N 2.63Å; I27-C31 WeakPolarHBondContact O-CB 3.38Å; I27-C31 PolarHBondContact O-N 3.02Å; I27-C31 PolarHBondContact O-SG 2.77Å; I27-M56 HydrophobicContact CD1-CB 4.43Å; I27-M56 HydrophobicContact CD1-CG 3.79Å; I27-M56 HydrophobicContact CG2-CG 4.26Å; I27-L59 HydrophobicContact CD1-CD1 4.15Å; I27-Y61 HydrophobicContact CB-CE1 4.41Å; I27-Y61 HydrophobicContact CB-CE2 4.44Å; I27-Y61 HydrophobicContact CD1-CD2 4.11Å; I27-Y61 HydrophobicContact CD1-CE2 4.04Å; I27-Y61 HydrophobicContact CG1-CD2 4.09Å; I27-Y61 HydrophobicContact CG1-CE1 4.45Å; I27-Y61 HydrophobicContact CG1-CE2 3.72Å; I27-Y61 HydrophobicContact CG2-CD1 3.86Å; I27-Y61 HydrophobicContact CG2-CD2 3.96Å; I27-Y61 HydrophobicContact CG2-CE1 4.23Å; I27-Y61 HydrophobicContact CG2-CE2 4.33Å; I27-Y61 HydrophobicContact CG2-CG 3.71Å |
| 28 | Q | 94.6 | Very high | 94.7 | Very high | 106 Ų | 106 | 74.5 Ų | 74.5 | 50% | 0.495 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.8 | -40.4 | -179.5 | -77.6 | -179.4 | 8.3 | 0 | 0 | 112.6 | R24 E25 C31 A32 | R24-Q28 WeakPolarHBondContact O-CB 3.42Å; R24-Q28 VanDerWaalsContact O-CG 3.24Å; R24-Q28 WeakPolarHBondContact O-CG 3.13Å; R24-Q28 PolarHBondContact O-N 3.49Å; E25-Q28 PolarHBondContact O-N 3.25Å; Q28-C31 PolarHBondContact O-N 2.86Å; Q28-A32 WeakPolarHBondContact O-CB 3.48Å; Q28-A32 PolarHBondContact O-N 3.23Å |
| 29 | K | 95.1 | Very high | 94.5 | Very high | 169 Ų | 169 | 74.4 Ų | 74.4 | 74% | 0.735 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61 | -47.9 | 176.3 | -174.8 | 178.6 | -175.7 | 175.6 | 0 | 112.1 | E25 I27 A32 A33 | E25-K29 VanDerWaalsContact O-CB 3.31Å; E25-K29 WeakPolarHBondContact O-CB 3.47Å; E25-K29 PolarHBondContact O-N 2.82Å; I27-K29 VanDerWaalsContact C-N 3.31Å; I27-K29 PolarHBondContact O-N 3.43Å; K29-A32 PolarHBondContact O-N 3.02Å; K29-A33 PolarHBondContact O-N 3.36Å |
| 30 | E | 94.9 | Very high | 94.2 | Very high | 26 Ų | 26 | 76.2 Ų | 76.2 | 12% | 0.121 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -73 | -35.9 | 177.8 | -174.9 | 68.7 | -168.7 | 0 | 0 | 111.8 | I5 L10 M26 I27 A32 A33 I34 K52 M56 | I5-E30 WeakPolarHBondContact CG1-OE1 3.22Å; L10-E30 HydrophobicContact CD1-CB 4.11Å; L10-E30 HydrophobicContact CD1-CG 3.97Å; L10-E30 HydrophobicContact CD2-CG 4.23Å; M26-E30 PolarHBondContact O-N 3.33Å; M26-E30 VanDerWaalsContact O-N 3.13Å; I27-E30 PolarHBondContact O-N 2.63Å; E30-A32 VanDerWaalsContact C-N 3.26Å; E30-A32 PolarHBondContact O-N 3.31Å; E30-A33 PolarHBondContact O-N 3.47Å; E30-I34 HydrophobicContact CG-CD1 4.07Å; E30-I34 HydrophobicContact CG-CG1 4.47Å; E30-I34 VanDerWaalsContact O-CG1 3.32Å; E30-I34 WeakPolarHBondContact O-CG1 3.26Å; E30-I34 PolarHBondContact O-N 2.84Å; E30-K52 HydrophobicContact CG-CD 4.42Å; E30-K52 WeakPolarHBondContact OE1-CD 3.4Å; E30-K52 VanDerWaalsContact OE1-CE 3.28Å; E30-K52 WeakPolarHBondContact OE1-CE 3.36Å; E30-K52 IonicContact OE1-NZ 3.02Å; E30-K52 PolarHBondContact OE1-NZ 2.71Å; E30-M56 HydrophobicContact CB-CE 3.56Å; E30-M56 HydrophobicContact CG-CE 3.54Å |
| 31 | C | 94.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 73.1 Ų | 73.1 | 5% | 0.054 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.2 | -36.6 | 171.7 | -72.1 | 0 | 0 | 0 | 0 | 112.1 | I27 Q28 I34 R35 M56 F65 | I27-C31 WeakPolarHBondContact O-CB 3.38Å; I27-C31 PolarHBondContact O-N 3.02Å; I27-C31 PolarHBondContact O-SG 2.77Å; Q28-C31 PolarHBondContact O-N 2.86Å; C31-I34 PolarHBondContact O-N 3.35Å; C31-R35 WeakPolarHBondContact O-CG 3.25Å; C31-R35 PolarHBondContact O-N 3.33Å; C31-M56 PolarHBondContact SG-SD 2.89Å; C31-F65 HydrophobicContact CB-CZ 4.45Å |
| 32 | A | 94.1 | Very high | 93 | Very high | 42 Ų | 42 | 71.9 Ų | 71.9 | 35% | 0.347 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q28 K29 E30 I34 R35 S36 | Q28-A32 WeakPolarHBondContact O-CB 3.48Å; Q28-A32 PolarHBondContact O-N 3.23Å; K29-A32 PolarHBondContact O-N 3.02Å; E30-A32 VanDerWaalsContact C-N 3.26Å; E30-A32 PolarHBondContact O-N 3.31Å; A32-I34 VanDerWaalsContact C-N 3.34Å; A32-I34 PolarHBondContact O-N 2.82Å; A32-R35 PolarHBondContact O-N 3.43Å; A32-S36 PolarHBondContact O-N 3.04Å; A32-S36 PolarHBondContact O-OG 3.29Å |
| 33 | A | 93.5 | Very high | 92.5 | Very high | 51 Ų | 51 | 74.2 Ų | 74.2 | 42% | 0.421 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K29 E30 S37 | K29-A33 PolarHBondContact O-N 3.36Å; E30-A33 PolarHBondContact O-N 3.47Å; A33-S37 WeakPolarHBondContact O-CB 3.33Å; A33-S37 PolarHBondContact O-N 2.92Å |
| 34 | I | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 175.2 | -70.2 | 168.1 | 0 | 0 | 0 | 110.8 | E30 C31 A32 S36 S37 F38 N49 K52 M56 F65 | E30-I34 HydrophobicContact CG-CD1 4.07Å; E30-I34 HydrophobicContact CG-CG1 4.47Å; E30-I34 VanDerWaalsContact O-CG1 3.32Å; E30-I34 WeakPolarHBondContact O-CG1 3.26Å; E30-I34 PolarHBondContact O-N 2.84Å; C31-I34 PolarHBondContact O-N 3.35Å; A32-I34 VanDerWaalsContact C-N 3.34Å; A32-I34 PolarHBondContact O-N 2.82Å; I34-S36 PolarHBondContact O-N 3.41Å; I34-S37 PolarHBondContact O-N 3.09Å; I34-F38 HydrophobicContact CG2-CD2 3.91Å; I34-F38 HydrophobicContact CG2-CE1 4.05Å; I34-F38 HydrophobicContact CG2-CE2 3.38Å; I34-F38 HydrophobicContact CG2-CG 4.45Å; I34-F38 HydrophobicContact CG2-CZ 3.46Å; I34-F38 VanDerWaalsContact CG2-CZ 3.46Å; I34-F38 WeakPolarHBondContact O-CG 3.32Å; I34-F38 PolarHBondContact O-N 2.9Å; I34-N49 HydrophobicContact CG1-CB 4.23Å; I34-N49 HydrophobicContact CG2-CB 4.25Å; I34-K52 HydrophobicContact CD1-CB 3.87Å; I34-M56 HydrophobicContact CD1-CE 3.88Å; I34-M56 HydrophobicContact CD1-SD 3.9Å; I34-F65 HydrophobicContact CG2-CE2 3.98Å |
| 35 | R | 93.6 | Very high | 91.8 | Very high | 115 Ų | 115 | 72.7 Ų | 72.7 | 43% | 0.434 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 177.4 | -76.7 | -173.5 | -62.5 | -96.8 | 0.3 | 112.5 | C31 A32 F38 R39 F65 | C31-R35 WeakPolarHBondContact O-CG 3.25Å; C31-R35 PolarHBondContact O-N 3.33Å; A32-R35 PolarHBondContact O-N 3.43Å; R35-F38 PolarHBondContact O-N 2.64Å; R35-R39 PolarHBondContact O-N 2.84Å; R35-R39 VanDerWaalsContact O-N 3.11Å; R35-F65 HydrophobicContact CG-CD1 4.37Å; R35-F65 HydrophobicContact CG-CD2 3.57Å; R35-F65 HydrophobicContact CG-CE1 4.3Å; R35-F65 HydrophobicContact CG-CE2 3.47Å; R35-F65 VanDerWaalsContact CG-CE2 3.47Å; R35-F65 HydrophobicContact CG-CG 4.04Å; R35-F65 HydrophobicContact CG-CZ 3.86Å |
| 36 | S | 92.4 | Very high | 91.6 | Very high | 64 Ų | 64 | 66.8 Ų | 66.8 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 174.7 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | A32 I34 F38 R39 E40 | A32-S36 PolarHBondContact O-N 3.04Å; A32-S36 PolarHBondContact O-OG 3.29Å; I34-S36 PolarHBondContact O-N 3.41Å; S36-F38 VanDerWaalsContact C-N 3.34Å; S36-F38 PolarHBondContact O-N 2.99Å; S36-R39 WeakPolarHBondContact O-CB 3.46Å; S36-R39 PolarHBondContact O-N 3.17Å; S36-R39 VanDerWaalsContact O-N 3.12Å; S36-E40 PolarHBondContact O-N 2.94Å; S36-E40 VanDerWaalsContact O-N 3.14Å |
| 37 | S | 93.1 | Very high | 91.6 | Very high | 9 Ų | 9 | 65.7 Ų | 65.7 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.7 | -28.9 | 179.8 | 179.2 | 0 | 0 | 0 | 0 | 113.8 | A33 I34 E40 N49 | A33-S37 WeakPolarHBondContact O-CB 3.33Å; A33-S37 PolarHBondContact O-N 2.92Å; I34-S37 PolarHBondContact O-N 3.09Å; S37-E40 PolarHBondContact O-N 3.47Å; S37-N49 WeakPolarHBondContact CB-ND2 3.4Å; S37-N49 PolarHBondContact OG-ND2 3.26Å |
| 38 | F | 93.3 | Very high | 91.5 | Very high | 15 Ų | 15 | 69.1 Ų | 69.1 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.7 | -38.1 | 170 | -66.6 | -22 | 0 | 0 | 0 | 111.8 | I34 R35 S36 E40 E41 R46 N49 V50 L53 F65 E69 | I34-F38 HydrophobicContact CG2-CD2 3.91Å; I34-F38 HydrophobicContact CG2-CE1 4.05Å; I34-F38 HydrophobicContact CG2-CE2 3.38Å; I34-F38 HydrophobicContact CG2-CG 4.45Å; I34-F38 HydrophobicContact CG2-CZ 3.46Å; I34-F38 VanDerWaalsContact CG2-CZ 3.46Å; I34-F38 WeakPolarHBondContact O-CG 3.32Å; I34-F38 PolarHBondContact O-N 2.9Å; R35-F38 PolarHBondContact O-N 2.64Å; S36-F38 VanDerWaalsContact C-N 3.34Å; S36-F38 PolarHBondContact O-N 2.99Å; F38-E40 PolarHBondContact O-N 2.93Å; F38-E41 PolarHBondContact O-N 3.44Å; F38-R46 HydrophobicContact CE1-CG 4.28Å; F38-N49 HydrophobicContact CE1-CB 3.72Å; F38-N49 HydrophobicContact CZ-CB 4.25Å; F38-V50 HydrophobicContact CE1-CG2 4.01Å; F38-V50 HydrophobicContact CZ-CG2 3.75Å; F38-L53 HydrophobicContact CE2-CD2 3.97Å; F38-L53 HydrophobicContact CZ-CD2 4.33Å; F38-F65 HydrophobicContact CD2-CD2 4.01Å; F38-F65 HydrophobicContact CD2-CE2 4.25Å; F38-F65 AromaticContact CE2-CD2 3.98Å; F38-F65 HydrophobicContact CE2-CD2 3.98Å; F38-F65 AromaticContact CE2-CE2 3.97Å; F38-F65 HydrophobicContact CE2-CE2 3.97Å; F38-E69 HydrophobicContact CB-CG 4.29Å; F38-E69 HydrophobicContact CD1-CG 3.82Å; F38-E69 HydrophobicContact CD2-CG 3.69Å; F38-E69 HydrophobicContact CE1-CB 4.21Å; F38-E69 HydrophobicContact CE1-CG 3.94Å; F38-E69 HydrophobicContact CE2-CB 4.39Å; F38-E69 HydrophobicContact CE2-CG 3.8Å; F38-E69 HydrophobicContact CG-CG 3.7Å; F38-E69 HydrophobicContact CZ-CB 4.14Å; F38-E69 HydrophobicContact CZ-CG 3.93Å |
| 39 | R | 91.8 | Very high | 91.5 | Very high | 228 Ų | 228 | 64.1 Ų | 64.1 | 86% | 0.86 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.4 | -22.9 | 174.3 | -166.5 | 178.4 | -176.3 | -175.1 | 2.2 | 113.3 | R35 S36 E41 | R35-R39 PolarHBondContact O-N 2.84Å; R35-R39 VanDerWaalsContact O-N 3.11Å; S36-R39 WeakPolarHBondContact O-CB 3.46Å; S36-R39 PolarHBondContact O-N 3.17Å; S36-R39 VanDerWaalsContact O-N 3.12Å; R39-E41 VanDerWaalsContact C-N 3.32Å |
| 40 | E | 89.8 | Confident | 91.5 | Very high | 118 Ų | 118 | 56 Ų | 56 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -2.7 | 172 | -66.5 | 177.7 | 139.2 | 0 | 0 | 113.6 | M1 S36 S37 F38 D42 | M1-E40 VanDerWaalsContact CE-CD 3.45Å; M1-E40 WeakPolarHBondContact CE-OE1 3.31Å; M1-E40 VanDerWaalsContact CE-OE2 3.27Å; M1-E40 WeakPolarHBondContact CE-OE2 3.3Å; S36-E40 PolarHBondContact O-N 2.94Å; S36-E40 VanDerWaalsContact O-N 3.14Å; S37-E40 PolarHBondContact O-N 3.47Å; F38-E40 PolarHBondContact O-N 2.93Å; E40-D42 PolarHBondContact O-N 3.42Å; E40-D42 VanDerWaalsContact O-N 3.13Å |
| 41 | E | 86.2 | Confident | 91.6 | Very high | 91 Ų | 91 | 55.5 Ų | 55.5 | 43% | 0.425 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 23.5 | -179.7 | -68 | -69.2 | -175 | 0 | 0 | 116 | F38 R39 N43 R46 K72 | F38-E41 PolarHBondContact O-N 3.44Å; R39-E41 VanDerWaalsContact C-N 3.32Å; E41-N43 PolarHBondContact O-N 3.12Å; E41-R46 VanDerWaalsContact C-NH2 3.31Å; E41-R46 PolarHBondContact O-NH2 3.01Å; E41-R46 IonicContact OE2-CZ 3.84Å; E41-R46 IonicContact OE2-NH2 2.68Å; E41-R46 PolarHBondContact OE2-NH2 3.42Å; E41-K72 IonicContact OE1-NZ 3.8Å; E41-K72 PolarHBondContact OE1-NZ 3.46Å; E41-K72 IonicContact OE2-NZ 2.94Å; E41-K72 PolarHBondContact OE2-NZ 3.42Å |
| 42 | D | 80.4 | Confident | 91.6 | Very high | 36 Ų | 36 | 55.1 Ų | 55.1 | 19% | 0.193 | 28% | 0.276 | C | S | . | . | trans | -64.6 | 105.7 | -171.4 | 173.6 | 41.8 | 0 | 0 | 0 | 114.4 | E40 T44 Y45 R46 | E40-D42 PolarHBondContact O-N 3.42Å; E40-D42 VanDerWaalsContact O-N 3.13Å; D42-T44 PolarHBondContact O-N 3.14Å; D42-T44 VanDerWaalsContact O-N 3.14Å; D42-T44 WeakPolarHBondContact OD1-CA 3.26Å; D42-T44 WeakPolarHBondContact OD1-CB 3.19Å; D42-T44 PolarHBondContact OD1-N 3.08Å; D42-T44 PolarHBondContact OD1-OG1 3.05Å; D42-T44 WeakPolarHBondContact OD2-CB 3.42Å; D42-Y45 WeakPolarHBondContact OD2-CA 3.46Å; D42-Y45 WeakPolarHBondContact OD2-CB 3.1Å; D42-Y45 WeakPolarHBondContact OD2-CD2 3.48Å; D42-Y45 VanDerWaalsContact OD2-CG 3.24Å; D42-Y45 PolarHBondContact OD2-N 3.27Å; D42-R46 WeakPolarHBondContact O-CB 3.07Å; D42-R46 PolarHBondContact O-N 2.97Å; D42-R46 VanDerWaalsContact O-N 3.08Å | ||
| 43 | N | 83.8 | Confident | 91.7 | Very high | 110 Ų | 110 | 53.2 Ų | 53.2 | 59% | 0.588 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -10.3 | 173.5 | -62.1 | -56.1 | 0 | 0 | 0 | 114.4 | E41 R46 | E41-N43 PolarHBondContact O-N 3.12Å; N43-R46 PolarHBondContact OD1-NH1 2.77Å |
| 44 | T | 87.1 | Confident | 91.9 | Very high | 91 Ų | 91 | 51.4 Ų | 51.4 | 56% | 0.558 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -41.7 | -178.2 | -37.7 | 0 | 0 | 0 | 0 | 111.9 | D42 | D42-T44 PolarHBondContact O-N 3.14Å; D42-T44 VanDerWaalsContact O-N 3.14Å; D42-T44 WeakPolarHBondContact OD1-CA 3.26Å; D42-T44 WeakPolarHBondContact OD1-CB 3.19Å; D42-T44 PolarHBondContact OD1-N 3.08Å; D42-T44 PolarHBondContact OD1-OG1 3.05Å; D42-T44 WeakPolarHBondContact OD2-CB 3.42Å |
| 45 | Y | 90.1 | Very high | 92 | Very high | 66 Ų | 66 | 53.3 Ų | 53.3 | 26% | 0.259 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -6.6 | -171.9 | -51.6 | -43.4 | 0 | 0 | 0 | 114.4 | A3 P4 D42 C47 R48 N49 | A3-Y45 HydrophobicContact CB-CE2 4.3Å; P4-Y45 HydrophobicContact CG-CD2 3.78Å; P4-Y45 HydrophobicContact CG-CG 4.17Å; D42-Y45 WeakPolarHBondContact OD2-CA 3.46Å; D42-Y45 WeakPolarHBondContact OD2-CB 3.1Å; D42-Y45 WeakPolarHBondContact OD2-CD2 3.48Å; D42-Y45 VanDerWaalsContact OD2-CG 3.24Å; D42-Y45 PolarHBondContact OD2-N 3.27Å; Y45-C47 PolarHBondContact O-N 3.11Å; Y45-C47 VanDerWaalsContact O-N 3.12Å; Y45-R48 VanDerWaalsContact CD1-NH2 3.35Å; Y45-R48 VanDerWaalsContact CE1-NH2 3.29Å; Y45-R48 WeakPolarHBondContact O-CG 3.24Å; Y45-R48 PolarHBondContact O-N 2.79Å; Y45-N49 WeakPolarHBondContact O-CB 3.37Å; Y45-N49 PolarHBondContact O-N 2.99Å |
| 46 | R | 92.1 | Very high | 92.1 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -45 | -45.7 | 171 | -171.6 | -176.6 | -69 | 107.3 | 2.8 | 112.4 | F38 E41 D42 N43 R48 N49 V50 E69 L73 | F38-R46 HydrophobicContact CE1-CG 4.28Å; E41-R46 VanDerWaalsContact C-NH2 3.31Å; E41-R46 PolarHBondContact O-NH2 3.01Å; E41-R46 IonicContact OE2-CZ 3.84Å; E41-R46 IonicContact OE2-NH2 2.68Å; E41-R46 PolarHBondContact OE2-NH2 3.42Å; D42-R46 WeakPolarHBondContact O-CB 3.07Å; D42-R46 PolarHBondContact O-N 2.97Å; D42-R46 VanDerWaalsContact O-N 3.08Å; N43-R46 PolarHBondContact OD1-NH1 2.77Å; R46-R48 PolarHBondContact O-N 3Å; R46-N49 PolarHBondContact O-N 2.76Å; R46-V50 HydrophobicContact CG-CG2 4.3Å; R46-V50 WeakPolarHBondContact O-CG2 3.28Å; R46-V50 PolarHBondContact O-N 2.9Å; R46-E69 VanDerWaalsContact CD-OE2 3.25Å; R46-E69 WeakPolarHBondContact CD-OE2 3.48Å; R46-E69 HydrophobicContact CG-CB 4.29Å; R46-E69 IonicContact CZ-OE2 2.73Å; R46-E69 IonicContact NE-OE2 3.28Å; R46-E69 PolarHBondContact NE-OE2 3.24Å; R46-E69 IonicContact NH2-OE2 2.73Å; R46-L73 HydrophobicContact CB-CD2 4.17Å; R46-L73 HydrophobicContact CG-CD1 4.32Å; R46-L73 HydrophobicContact CG-CD2 3.94Å; R46-L73 HydrophobicContact CG-CG 3.97Å |
| 47 | C | 93.6 | Very high | 92.2 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 13% | 0.128 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.2 | -44.7 | 178.6 | -175.5 | 0 | 0 | 0 | 0 | 113.7 | Y45 A51 L73 D81 | Y45-C47 PolarHBondContact O-N 3.11Å; Y45-C47 VanDerWaalsContact O-N 3.12Å; C47-A51 WeakPolarHBondContact O-CB 3.49Å; C47-A51 PolarHBondContact O-N 3.36Å; C47-A51 VanDerWaalsContact O-N 3.15Å; C47-L73 HydrophobicContact CB-CD2 4.03Å; C47-D81 WeakPolarHBondContact CB-OD1 3.38Å; C47-D81 PolarHBondContact SG-OD1 3.42Å |
| 48 | R | 93.2 | Very high | 92.4 | Very high | 73 Ų | 73 | 54.7 Ų | 54.7 | 28% | 0.275 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -75.9 | -28.5 | 176.2 | 71.1 | 173.6 | 70.1 | 157.7 | 8.6 | 112.8 | P4 Y45 R46 K52 | P4-R48 VanDerWaalsContact O-CD 3.29Å; P4-R48 WeakPolarHBondContact O-CD 3.43Å; P4-R48 PolarHBondContact O-NH1 3.44Å; Y45-R48 VanDerWaalsContact CD1-NH2 3.35Å; Y45-R48 VanDerWaalsContact CE1-NH2 3.29Å; Y45-R48 WeakPolarHBondContact O-CG 3.24Å; Y45-R48 PolarHBondContact O-N 2.79Å; R46-R48 PolarHBondContact O-N 3Å; R48-K52 WeakPolarHBondContact O-CE 3.42Å; R48-K52 WeakPolarHBondContact O-CG 3.41Å; R48-K52 PolarHBondContact O-N 3.22Å |
| 49 | N | 94.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -75.7 | -43.1 | -178.5 | -71.8 | -13.7 | 0 | 0 | 0 | 111.3 | I34 S37 F38 Y45 R46 K52 L53 | I34-N49 HydrophobicContact CG1-CB 4.23Å; I34-N49 HydrophobicContact CG2-CB 4.25Å; S37-N49 WeakPolarHBondContact CB-ND2 3.4Å; S37-N49 PolarHBondContact OG-ND2 3.26Å; F38-N49 HydrophobicContact CE1-CB 3.72Å; F38-N49 HydrophobicContact CZ-CB 4.25Å; Y45-N49 WeakPolarHBondContact O-CB 3.37Å; Y45-N49 PolarHBondContact O-N 2.99Å; R46-N49 PolarHBondContact O-N 2.76Å; N49-K52 PolarHBondContact O-N 3.12Å; N49-K52 WeakPolarHBondContact OD1-CE 3.37Å; N49-K52 PolarHBondContact OD1-NZ 2.94Å; N49-L53 WeakPolarHBondContact O-CB 3.48Å; N49-L53 PolarHBondContact O-N 2.81Å |
| 50 | V | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 167.9 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | F38 R46 K52 L53 L54 E69 L73 I84 | F38-V50 HydrophobicContact CE1-CG2 4.01Å; F38-V50 HydrophobicContact CZ-CG2 3.75Å; R46-V50 HydrophobicContact CG-CG2 4.3Å; R46-V50 WeakPolarHBondContact O-CG2 3.28Å; R46-V50 PolarHBondContact O-N 2.9Å; V50-K52 VanDerWaalsContact C-N 3.28Å; V50-K52 PolarHBondContact O-N 3.11Å; V50-L53 CarbonylContact O-C 3.58Å; V50-L53 WeakPolarHBondContact O-CA 3.47Å; V50-L53 WeakPolarHBondContact O-CB 3.46Å; V50-L53 PolarHBondContact O-N 2.92Å; V50-L54 HydrophobicContact CG1-CD1 4.09Å; V50-L54 HydrophobicContact CG1-CG 4.17Å; V50-L54 WeakPolarHBondContact O-CG 3.29Å; V50-L54 PolarHBondContact O-N 2.63Å; V50-E69 HydrophobicContact CG2-CB 3.79Å; V50-L73 HydrophobicContact CB-CD1 3.69Å; V50-L73 HydrophobicContact CG1-CD1 3.98Å; V50-L73 HydrophobicContact CG2-CD1 3.64Å; V50-I84 HydrophobicContact CB-CG2 4.21Å; V50-I84 HydrophobicContact CG1-CG2 3.89Å |
| 51 | A | 96.1 | Very high | 92.9 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 12% | 0.124 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.3 | -34.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L7 C47 Y55 I84 | L7-A51 HydrophobicContact CD2-CB 4.32Å; C47-A51 WeakPolarHBondContact O-CB 3.49Å; C47-A51 PolarHBondContact O-N 3.36Å; C47-A51 VanDerWaalsContact O-N 3.15Å; A51-Y55 PolarHBondContact O-N 3.35Å; A51-I84 HydrophobicContact CB-CD1 4.4Å; A51-I84 HydrophobicContact CB-CG2 4.24Å |
| 52 | K | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.6 | -43.6 | 169.6 | -77 | 177.9 | -60.7 | -172.1 | 0 | 112.2 | I5 L7 L10 E30 I34 R48 N49 V50 L54 Y55 M56 | I5-K52 HydrophobicContact CG1-CD 4.27Å; I5-K52 WeakPolarHBondContact O-CD 3.37Å; I5-K52 WeakPolarHBondContact O-CE 3.46Å; I5-K52 PolarHBondContact O-NZ 2.81Å; L7-K52 HydrophobicContact CB-CG 4.35Å; L7-K52 HydrophobicContact CD1-CG 4.17Å; L10-K52 HydrophobicContact CB-CD 4.25Å; L10-K52 HydrophobicContact CB-CG 4.3Å; L10-K52 HydrophobicContact CD2-CB 3.7Å; L10-K52 HydrophobicContact CD2-CD 4.05Å; L10-K52 HydrophobicContact CD2-CG 3.69Å; E30-K52 HydrophobicContact CG-CD 4.42Å; E30-K52 WeakPolarHBondContact OE1-CD 3.4Å; E30-K52 VanDerWaalsContact OE1-CE 3.28Å; E30-K52 WeakPolarHBondContact OE1-CE 3.36Å; E30-K52 IonicContact OE1-NZ 3.02Å; E30-K52 PolarHBondContact OE1-NZ 2.71Å; I34-K52 HydrophobicContact CD1-CB 3.87Å; R48-K52 WeakPolarHBondContact O-CE 3.42Å; R48-K52 WeakPolarHBondContact O-CG 3.41Å; R48-K52 PolarHBondContact O-N 3.22Å; N49-K52 PolarHBondContact O-N 3.12Å; N49-K52 WeakPolarHBondContact OD1-CE 3.37Å; N49-K52 PolarHBondContact OD1-NZ 2.94Å; V50-K52 VanDerWaalsContact C-N 3.28Å; V50-K52 PolarHBondContact O-N 3.11Å; K52-L54 VanDerWaalsContact C-N 3.33Å; K52-L54 PolarHBondContact O-N 3.5Å; K52-Y55 WeakPolarHBondContact O-CB 3.47Å; K52-Y55 PolarHBondContact O-N 2.98Å; K52-Y55 VanDerWaalsContact O-N 3.15Å; K52-M56 WeakPolarHBondContact O-CG 3.37Å; K52-M56 PolarHBondContact O-N 3.04Å |
| 53 | L | 96.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.5 | -35.5 | 179.2 | -172.4 | 59.4 | 0 | 0 | 0 | 112.8 | F38 N49 V50 Y55 M56 H57 A63 F65 | F38-L53 HydrophobicContact CE2-CD2 3.97Å; F38-L53 HydrophobicContact CZ-CD2 4.33Å; N49-L53 WeakPolarHBondContact O-CB 3.48Å; N49-L53 PolarHBondContact O-N 2.81Å; V50-L53 CarbonylContact O-C 3.58Å; V50-L53 WeakPolarHBondContact O-CA 3.47Å; V50-L53 WeakPolarHBondContact O-CB 3.46Å; V50-L53 PolarHBondContact O-N 2.92Å; L53-Y55 VanDerWaalsContact C-N 3.35Å; L53-M56 HydrophobicContact CD1-SD 4.04Å; L53-M56 WeakPolarHBondContact O-CB 3.15Å; L53-M56 PolarHBondContact O-N 3.42Å; L53-H57 WeakPolarHBondContact O-CB 3.44Å; L53-H57 PolarHBondContact O-N 3.24Å; L53-A63 HydrophobicContact CD1-CB 3.81Å; L53-A63 HydrophobicContact CD2-CB 4.41Å; L53-A63 HydrophobicContact CG-CB 3.84Å; L53-F65 HydrophobicContact CD1-CE1 4.15Å; L53-F65 HydrophobicContact CD1-CE2 4.01Å; L53-F65 HydrophobicContact CD1-CZ 3.5Å; L53-F65 VanDerWaalsContact CD1-CZ 3.5Å; L53-F65 HydrophobicContact CD2-CD2 4.17Å; L53-F65 HydrophobicContact CD2-CE2 3.68Å; L53-F65 HydrophobicContact CD2-CZ 4.02Å; L53-F65 HydrophobicContact CG-CZ 4.43Å |
| 54 | L | 96.3 | Very high | 94.2 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 7% | 0.073 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.1 | -35.7 | 172.5 | -64.2 | 176 | 0 | 0 | 0 | 112.3 | V50 K52 H57 M58 L87 L91 L92 | V50-L54 HydrophobicContact CG1-CD1 4.09Å; V50-L54 HydrophobicContact CG1-CG 4.17Å; V50-L54 WeakPolarHBondContact O-CG 3.29Å; V50-L54 PolarHBondContact O-N 2.63Å; K52-L54 VanDerWaalsContact C-N 3.33Å; K52-L54 PolarHBondContact O-N 3.5Å; L54-H57 PolarHBondContact O-N 2.93Å; L54-M58 WeakPolarHBondContact O-CB 3.24Å; L54-M58 PolarHBondContact O-N 3.11Å; L54-L87 HydrophobicContact CD1-CG 4.35Å; L54-L91 HydrophobicContact CD2-CB 4.17Å; L54-L91 HydrophobicContact CD2-CD1 4.26Å; L54-L92 HydrophobicContact CD2-CD1 3.64Å; L54-L92 HydrophobicContact CD2-CD2 4.15Å; L54-L92 HydrophobicContact CD2-CG 3.6Å |
| 55 | Y | 97.1 | Very high | 94.3 | Very high | 39 Ų | 39 | 42.2 Ų | 42.2 | 15% | 0.153 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.5 | -40.8 | 172.1 | 176.5 | -107.7 | 0 | 0 | 0 | 112 | L7 L10 I11 I14 A51 K52 L53 H57 M58 L59 | L7-Y55 HydrophobicContact CD1-CG 4.26Å; L10-Y55 HydrophobicContact CD2-CD1 4.36Å; I11-Y55 HydrophobicContact CB-CE1 4.39Å; I11-Y55 HydrophobicContact CD1-CD2 4.35Å; I11-Y55 HydrophobicContact CD1-CE2 4.42Å; I11-Y55 HydrophobicContact CG1-CD1 3.83Å; I11-Y55 HydrophobicContact CG1-CD2 4.14Å; I11-Y55 HydrophobicContact CG1-CE1 3.64Å; I11-Y55 HydrophobicContact CG1-CE2 3.99Å; I11-Y55 HydrophobicContact CG1-CG 4.08Å; I14-Y55 HydrophobicContact CB-CE1 4.49Å; I14-Y55 HydrophobicContact CG1-CE1 4.42Å; I14-Y55 HydrophobicContact CG2-CE1 4.49Å; A51-Y55 PolarHBondContact O-N 3.35Å; K52-Y55 WeakPolarHBondContact O-CB 3.47Å; K52-Y55 PolarHBondContact O-N 2.98Å; K52-Y55 VanDerWaalsContact O-N 3.15Å; L53-Y55 VanDerWaalsContact C-N 3.35Å; Y55-H57 VanDerWaalsContact C-N 3.32Å; Y55-H57 PolarHBondContact O-N 3.18Å; Y55-M58 HydrophobicContact CD2-CE 3.7Å; Y55-M58 HydrophobicContact CE2-CE 3.74Å; Y55-M58 PolarHBondContact O-N 3.15Å; Y55-L59 HydrophobicContact CD1-CD1 4.25Å; Y55-L59 HydrophobicContact CE1-CD1 3.67Å; Y55-L59 HydrophobicContact CE1-CG 4.47Å; Y55-L59 HydrophobicContact CE2-CD1 4.5Å; Y55-L59 WeakPolarHBondContact O-CG 3.4Å; Y55-L59 PolarHBondContact O-N 3.19Å |
| 56 | M | 95.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -40.6 | 172.3 | -64.1 | 158.5 | 160.4 | 0 | 0 | 111.8 | L10 I27 E30 C31 I34 K52 L53 L59 G60 Y61 | L10-M56 HydrophobicContact CD1-CE 4.47Å; L10-M56 HydrophobicContact CD2-CE 3.78Å; L10-M56 HydrophobicContact CD2-CG 4.43Å; I27-M56 HydrophobicContact CD1-CB 4.43Å; I27-M56 HydrophobicContact CD1-CG 3.79Å; I27-M56 HydrophobicContact CG2-CG 4.26Å; E30-M56 HydrophobicContact CB-CE 3.56Å; E30-M56 HydrophobicContact CG-CE 3.54Å; C31-M56 PolarHBondContact SG-SD 2.89Å; I34-M56 HydrophobicContact CD1-CE 3.88Å; I34-M56 HydrophobicContact CD1-SD 3.9Å; K52-M56 WeakPolarHBondContact O-CG 3.37Å; K52-M56 PolarHBondContact O-N 3.04Å; L53-M56 HydrophobicContact CD1-SD 4.04Å; L53-M56 WeakPolarHBondContact O-CB 3.15Å; L53-M56 PolarHBondContact O-N 3.42Å; M56-L59 WeakPolarHBondContact O-CB 3.08Å; M56-L59 PolarHBondContact O-N 3.11Å; M56-G60 PolarHBondContact O-N 2.64Å; M56-Y61 WeakPolarHBondContact O-CB 3.45Å; M56-Y61 WeakPolarHBondContact O-CD2 3.32Å; M56-Y61 PolarHBondContact O-N 3.43Å |
| 57 | H | 95.9 | Very high | 94.2 | Very high | 74 Ų | 74 | 40.1 Ų | 40.1 | 34% | 0.343 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 176.6 | -174.9 | 50.9 | 0 | 0 | 0 | 112.4 | L53 L54 Y55 L59 G60 A63 L91 L92 | L53-H57 WeakPolarHBondContact O-CB 3.44Å; L53-H57 PolarHBondContact O-N 3.24Å; L54-H57 PolarHBondContact O-N 2.93Å; Y55-H57 VanDerWaalsContact C-N 3.32Å; Y55-H57 PolarHBondContact O-N 3.18Å; H57-L59 PolarHBondContact O-N 2.81Å; H57-G60 WeakPolarHBondContact O-CA 3.38Å; H57-G60 PolarHBondContact O-N 3.23Å; H57-A63 HydrophobicContact CB-CB 3.8Å; H57-L91 PolarHBondContact NE2-O 3.29Å; H57-L92 HydrophobicContact CB-CD2 4.01Å; H57-L92 VanDerWaalsContact CD2-CD2 3.46Å; H57-L92 WeakPolarHBondContact CD2-CD2 3.31Å |
| 58 | M | 96.3 | Very high | 94 | Very high | 142 Ų | 142 | 44 Ų | 44 | 70% | 0.7 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.6 | -22.7 | 174.1 | -168.2 | -172 | 76.9 | 0 | 0 | 113.1 | L54 Y55 G60 | L54-M58 WeakPolarHBondContact O-CB 3.24Å; L54-M58 PolarHBondContact O-N 3.11Å; Y55-M58 HydrophobicContact CD2-CE 3.7Å; Y55-M58 HydrophobicContact CE2-CE 3.74Å; Y55-M58 PolarHBondContact O-N 3.15Å; M58-G60 VanDerWaalsContact C-N 3.32Å |
| 59 | L | 95.5 | Very high | 93.9 | Very high | 65 Ų | 65 | 41.1 Ų | 41.1 | 34% | 0.34 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 3.7 | 170.1 | -64.8 | 173.8 | 0 | 0 | 0 | 113.3 | I14 I27 Y55 M56 H57 Y61 | I14-L59 HydrophobicContact CG2-CD1 3.99Å; I27-L59 HydrophobicContact CD1-CD1 4.15Å; Y55-L59 HydrophobicContact CD1-CD1 4.25Å; Y55-L59 HydrophobicContact CE1-CD1 3.67Å; Y55-L59 HydrophobicContact CE1-CG 4.47Å; Y55-L59 HydrophobicContact CE2-CD1 4.5Å; Y55-L59 WeakPolarHBondContact O-CG 3.4Å; Y55-L59 PolarHBondContact O-N 3.19Å; M56-L59 WeakPolarHBondContact O-CB 3.08Å; M56-L59 PolarHBondContact O-N 3.11Å; H57-L59 PolarHBondContact O-N 2.81Å; L59-Y61 HydrophobicContact CB-CD2 3.75Å; L59-Y61 HydrophobicContact CB-CE2 3.81Å |
| 60 | G | 94.9 | Very high | 93.8 | Very high | 67 Ų | 67 | 41.1 Ų | 41.1 | 69% | 0.691 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90 | 5.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | M56 H57 M58 | M56-G60 PolarHBondContact O-N 2.64Å; H57-G60 WeakPolarHBondContact O-CA 3.38Å; H57-G60 PolarHBondContact O-N 3.23Å; M58-G60 VanDerWaalsContact C-N 3.32Å |
| 61 | Y | 95.7 | Very high | 93.6 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | trans | -83.5 | 150.1 | -179.1 | -64.2 | -83.3 | 0 | 0 | 0 | 113.1 | E23 R24 I27 M56 L59 A63 | E23-Y61 WeakPolarHBondContact OE1-CE2 3.38Å; E23-Y61 VanDerWaalsContact OE1-CZ 3.32Å; E23-Y61 PolarHBondContact OE1-OH 3.28Å; R24-Y61 HydrophobicContact CB-CE1 4.26Å; R24-Y61 HydrophobicContact CG-CE1 4.21Å; I27-Y61 HydrophobicContact CB-CE1 4.41Å; I27-Y61 HydrophobicContact CB-CE2 4.44Å; I27-Y61 HydrophobicContact CD1-CD2 4.11Å; I27-Y61 HydrophobicContact CD1-CE2 4.04Å; I27-Y61 HydrophobicContact CG1-CD2 4.09Å; I27-Y61 HydrophobicContact CG1-CE1 4.45Å; I27-Y61 HydrophobicContact CG1-CE2 3.72Å; I27-Y61 HydrophobicContact CG2-CD1 3.86Å; I27-Y61 HydrophobicContact CG2-CD2 3.96Å; I27-Y61 HydrophobicContact CG2-CE1 4.23Å; I27-Y61 HydrophobicContact CG2-CE2 4.33Å; I27-Y61 HydrophobicContact CG2-CG 3.71Å; M56-Y61 WeakPolarHBondContact O-CB 3.45Å; M56-Y61 WeakPolarHBondContact O-CD2 3.32Å; M56-Y61 PolarHBondContact O-N 3.43Å; L59-Y61 HydrophobicContact CB-CD2 3.75Å; L59-Y61 HydrophobicContact CB-CE2 3.81Å; Y61-A63 PolarHBondContact O-N 3.39Å | ||
| 62 | P | 94.1 | Very high | 93.4 | Very high | 91 Ų | 91 | 44.2 Ų | 44.2 | 59% | 0.591 | 24% | 0.236 | S | C | * | . | trans | -69.9 | 123.2 | -175.8 | 26.7 | -34.9 | 0 | 0 | 0 | 112.7 | ||||
| 63 | A | 93.7 | Very high | 93.3 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.033 | 24% | 0.236 | C | C | . | . | trans | -122.8 | 8.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L53 H57 Y61 F65 G66 L92 | L53-A63 HydrophobicContact CD1-CB 3.81Å; L53-A63 HydrophobicContact CD2-CB 4.41Å; L53-A63 HydrophobicContact CG-CB 3.84Å; H57-A63 HydrophobicContact CB-CB 3.8Å; Y61-A63 PolarHBondContact O-N 3.39Å; A63-F65 PolarHBondContact O-N 3.02Å; A63-F65 VanDerWaalsContact O-N 3.07Å; A63-G66 PolarHBondContact O-N 3.47Å; A63-L92 HydrophobicContact CB-CD1 4.45Å; A63-L92 HydrophobicContact CB-CD2 3.65Å | ||
| 64 | H | 89 | Confident | 93.2 | Very high | 124 Ų | 124 | 44.4 Ų | 44.4 | 57% | 0.574 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -47.2 | -41 | -176.2 | 55.2 | -98.4 | 0 | 0 | 0 | 113.8 | G66 Q67 | H64-G66 PolarHBondContact O-N 3.28Å; H64-Q67 WeakPolarHBondContact O-CB 3.3Å; H64-Q67 VanDerWaalsContact O-CG 3.25Å; H64-Q67 WeakPolarHBondContact O-CG 3.39Å; H64-Q67 PolarHBondContact O-N 3.15Å; H64-Q67 PolarHBondContact O-OE1 3.32Å |
| 65 | F | 90.5 | Very high | 93 | Very high | 48 Ų | 48 | 46.9 Ų | 46.9 | 21% | 0.211 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -65.5 | -8.4 | -178 | 65 | -94.9 | 0 | 0 | 0 | 114.4 | C31 I34 R35 F38 L53 A63 | C31-F65 HydrophobicContact CB-CZ 4.45Å; I34-F65 HydrophobicContact CG2-CE2 3.98Å; R35-F65 HydrophobicContact CG-CD1 4.37Å; R35-F65 HydrophobicContact CG-CD2 3.57Å; R35-F65 HydrophobicContact CG-CE1 4.3Å; R35-F65 HydrophobicContact CG-CE2 3.47Å; R35-F65 VanDerWaalsContact CG-CE2 3.47Å; R35-F65 HydrophobicContact CG-CG 4.04Å; R35-F65 HydrophobicContact CG-CZ 3.86Å; F38-F65 HydrophobicContact CD2-CD2 4.01Å; F38-F65 HydrophobicContact CD2-CE2 4.25Å; F38-F65 AromaticContact CE2-CD2 3.98Å; F38-F65 HydrophobicContact CE2-CD2 3.98Å; F38-F65 AromaticContact CE2-CE2 3.97Å; F38-F65 HydrophobicContact CE2-CE2 3.97Å; L53-F65 HydrophobicContact CD1-CE1 4.15Å; L53-F65 HydrophobicContact CD1-CE2 4.01Å; L53-F65 HydrophobicContact CD1-CZ 3.5Å; L53-F65 VanDerWaalsContact CD1-CZ 3.5Å; L53-F65 HydrophobicContact CD2-CD2 4.17Å; L53-F65 HydrophobicContact CD2-CE2 3.68Å; L53-F65 HydrophobicContact CD2-CZ 4.02Å; L53-F65 HydrophobicContact CG-CZ 4.43Å; A63-F65 PolarHBondContact O-N 3.02Å; A63-F65 VanDerWaalsContact O-N 3.07Å |
| 66 | G | 90.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -91.6 | -9.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A63 H64 L68 E69 C70 | A63-G66 PolarHBondContact O-N 3.47Å; H64-G66 PolarHBondContact O-N 3.28Å; G66-L68 PolarHBondContact O-N 3.4Å; G66-E69 WeakPolarHBondContact O-CB 3.28Å; G66-E69 PolarHBondContact O-N 2.89Å; G66-E69 VanDerWaalsContact O-N 3.07Å; G66-C70 PolarHBondContact O-N 3.41Å; G66-C70 PolarHBondContact O-SG 2.95Å |
| 67 | Q | 89.6 | Confident | 92.7 | Very high | 37 Ų | 37 | 55.1 Ų | 55.1 | 17% | 0.173 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.5 | -48 | -173.9 | -74.2 | 171.5 | -36.2 | 0 | 0 | 112.8 | H64 E69 C70 L71 L92 L93 | H64-Q67 WeakPolarHBondContact O-CB 3.3Å; H64-Q67 VanDerWaalsContact O-CG 3.25Å; H64-Q67 WeakPolarHBondContact O-CG 3.39Å; H64-Q67 PolarHBondContact O-N 3.15Å; H64-Q67 PolarHBondContact O-OE1 3.32Å; Q67-E69 VanDerWaalsContact C-N 3.3Å; Q67-E69 PolarHBondContact O-N 3.2Å; Q67-C70 WeakPolarHBondContact O-CB 3.3Å; Q67-C70 PolarHBondContact O-N 2.9Å; Q67-L71 PolarHBondContact O-N 3.31Å; Q67-L92 HydrophobicContact CG-CB 4.03Å; Q67-L92 WeakPolarHBondContact CG-O 3.3Å; Q67-L92 PolarHBondContact NE2-O 2.98Å; Q67-L93 HydrophobicContact CB-CD2 3.77Å; Q67-L93 HydrophobicContact CG-CD2 3.83Å |
| 68 | L | 88.4 | Confident | 92.6 | Very high | 101 Ų | 101 | 57 Ų | 57 | 53% | 0.529 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67 | -30.5 | 176.8 | -64.9 | 172.9 | 0 | 0 | 0 | 112.5 | G66 C70 L71 K72 V99 | G66-L68 PolarHBondContact O-N 3.4Å; L68-C70 VanDerWaalsContact C-N 3.34Å; L68-L71 HydrophobicContact CD2-CD1 4.24Å; L68-L71 PolarHBondContact O-N 3.37Å; L68-K72 PolarHBondContact O-N 3.31Å; L68-V99 HydrophobicContact CD2-CG1 4.29Å |
| 69 | E | 91.2 | Very high | 92.5 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.3 | -30.6 | 176.8 | -57.4 | -57.2 | 118.2 | 0 | 0 | 112.2 | F38 R46 V50 G66 Q67 K72 L73 | F38-E69 HydrophobicContact CB-CG 4.29Å; F38-E69 HydrophobicContact CD1-CG 3.82Å; F38-E69 HydrophobicContact CD2-CG 3.69Å; F38-E69 HydrophobicContact CE1-CB 4.21Å; F38-E69 HydrophobicContact CE1-CG 3.94Å; F38-E69 HydrophobicContact CE2-CB 4.39Å; F38-E69 HydrophobicContact CE2-CG 3.8Å; F38-E69 HydrophobicContact CG-CG 3.7Å; F38-E69 HydrophobicContact CZ-CB 4.14Å; F38-E69 HydrophobicContact CZ-CG 3.93Å; R46-E69 VanDerWaalsContact CD-OE2 3.25Å; R46-E69 WeakPolarHBondContact CD-OE2 3.48Å; R46-E69 HydrophobicContact CG-CB 4.29Å; R46-E69 IonicContact CZ-OE2 2.73Å; R46-E69 IonicContact NE-OE2 3.28Å; R46-E69 PolarHBondContact NE-OE2 3.24Å; R46-E69 IonicContact NH2-OE2 2.73Å; V50-E69 HydrophobicContact CG2-CB 3.79Å; G66-E69 WeakPolarHBondContact O-CB 3.28Å; G66-E69 PolarHBondContact O-N 2.89Å; G66-E69 VanDerWaalsContact O-N 3.07Å; Q67-E69 VanDerWaalsContact C-N 3.3Å; Q67-E69 PolarHBondContact O-N 3.2Å; E69-K72 PolarHBondContact O-N 3.1Å; E69-K72 WeakPolarHBondContact OE1-CD 3.36Å; E69-K72 WeakPolarHBondContact OE1-CE 3.45Å; E69-K72 IonicContact OE1-NZ 3.44Å; E69-K72 PolarHBondContact OE1-NZ 2.96Å; E69-K72 IonicContact OE2-NZ 2.75Å; E69-L73 WeakPolarHBondContact O-CG 3.47Å; E69-L73 PolarHBondContact O-N 2.87Å |
| 70 | C | 92.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 170 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | G66 Q67 L68 L73 I74 G85 | G66-C70 PolarHBondContact O-N 3.41Å; G66-C70 PolarHBondContact O-SG 2.95Å; Q67-C70 WeakPolarHBondContact O-CB 3.3Å; Q67-C70 PolarHBondContact O-N 2.9Å; L68-C70 VanDerWaalsContact C-N 3.34Å; C70-L73 PolarHBondContact O-N 3.46Å; C70-I74 WeakPolarHBondContact O-CG1 3.24Å; C70-I74 PolarHBondContact O-N 3.37Å; C70-G85 WeakPolarHBondContact O-CA 3.42Å |
| 71 | L | 90.7 | Very high | 92.5 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 175.8 | -61.6 | 172.9 | 0 | 0 | 0 | 111.6 | Q67 L68 L73 I74 A75 L93 V99 L102 M103 | Q67-L71 PolarHBondContact O-N 3.31Å; L68-L71 HydrophobicContact CD2-CD1 4.24Å; L68-L71 PolarHBondContact O-N 3.37Å; L71-L73 VanDerWaalsContact C-N 3.27Å; L71-L73 PolarHBondContact O-N 3.01Å; L71-I74 HydrophobicContact CD2-CD1 4.46Å; L71-I74 PolarHBondContact O-N 3.07Å; L71-I74 VanDerWaalsContact O-N 3.15Å; L71-A75 PolarHBondContact O-N 3.44Å; L71-L93 HydrophobicContact CD2-CD1 4.09Å; L71-V99 HydrophobicContact CD1-CB 3.86Å; L71-V99 HydrophobicContact CD1-CG1 4.17Å; L71-V99 HydrophobicContact CD1-CG2 4.18Å; L71-L102 HydrophobicContact CD1-CB 4.38Å; L71-L102 HydrophobicContact CD1-CD1 4.2Å; L71-M103 HydrophobicContact CD2-CB 4.17Å |
| 72 | K | 91.8 | Very high | 92.5 | Very high | 68 Ų | 68 | 52.4 Ų | 52.4 | 30% | 0.296 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.4 | -35.8 | 172.6 | -68.3 | 174.2 | -175.3 | 171.3 | 0 | 112.6 | E41 L68 E69 S76 | E41-K72 IonicContact OE1-NZ 3.8Å; E41-K72 PolarHBondContact OE1-NZ 3.46Å; E41-K72 IonicContact OE2-NZ 2.94Å; E41-K72 PolarHBondContact OE2-NZ 3.42Å; L68-K72 PolarHBondContact O-N 3.31Å; E69-K72 PolarHBondContact O-N 3.1Å; E69-K72 WeakPolarHBondContact OE1-CD 3.36Å; E69-K72 WeakPolarHBondContact OE1-CE 3.45Å; E69-K72 IonicContact OE1-NZ 3.44Å; E69-K72 PolarHBondContact OE1-NZ 2.96Å; E69-K72 IonicContact OE2-NZ 2.75Å; K72-S76 PolarHBondContact O-N 2.86Å |
| 73 | L | 93.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.6 | -34.3 | 174.6 | -73.6 | 177.2 | 0 | 0 | 0 | 113.1 | R46 C47 V50 E69 C70 L71 S76 D81 K82 I84 | R46-L73 HydrophobicContact CB-CD2 4.17Å; R46-L73 HydrophobicContact CG-CD1 4.32Å; R46-L73 HydrophobicContact CG-CD2 3.94Å; R46-L73 HydrophobicContact CG-CG 3.97Å; C47-L73 HydrophobicContact CB-CD2 4.03Å; V50-L73 HydrophobicContact CB-CD1 3.69Å; V50-L73 HydrophobicContact CG1-CD1 3.98Å; V50-L73 HydrophobicContact CG2-CD1 3.64Å; E69-L73 WeakPolarHBondContact O-CG 3.47Å; E69-L73 PolarHBondContact O-N 2.87Å; C70-L73 PolarHBondContact O-N 3.46Å; L71-L73 VanDerWaalsContact C-N 3.27Å; L71-L73 PolarHBondContact O-N 3.01Å; L73-S76 WeakPolarHBondContact O-CB 3.44Å; L73-S76 PolarHBondContact O-N 3.27Å; L73-D81 HydrophobicContact CD2-CB 3.79Å; L73-D81 CarbonylContact O-C 3.57Å; L73-K82 WeakPolarHBondContact O-CA 3.13Å; L73-K82 PolarHBondContact O-N 3.2Å; L73-I84 HydrophobicContact CD1-CB 4.46Å; L73-I84 HydrophobicContact CD1-CG2 4.02Å |
| 74 | I | 94.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | 171.1 | -66.7 | 164.2 | 0 | 0 | 0 | 110.3 | C70 L71 S76 K82 G85 Y86 A89 C106 | C70-I74 WeakPolarHBondContact O-CG1 3.24Å; C70-I74 PolarHBondContact O-N 3.37Å; L71-I74 HydrophobicContact CD2-CD1 4.46Å; L71-I74 PolarHBondContact O-N 3.07Å; L71-I74 VanDerWaalsContact O-N 3.15Å; I74-S76 PolarHBondContact O-N 2.88Å; I74-K82 PolarHBondContact O-NZ 3.49Å; I74-G85 VanDerWaalsContact CG1-C 3.49Å; I74-Y86 HydrophobicContact CD1-CD1 3.66Å; I74-Y86 HydrophobicContact CD1-CE1 3.9Å; I74-Y86 HydrophobicContact CD1-CG 4.27Å; I74-Y86 HydrophobicContact CG1-CD1 3.81Å; I74-Y86 HydrophobicContact CG1-CD2 4.32Å; I74-Y86 HydrophobicContact CG1-CE1 4.05Å; I74-Y86 HydrophobicContact CG1-CG 3.97Å; I74-Y86 HydrophobicContact CG2-CD1 4.36Å; I74-Y86 HydrophobicContact CG2-CE1 3.75Å; I74-Y86 HydrophobicContact CG2-CE2 3.97Å; I74-A89 HydrophobicContact CD1-CB 3.91Å; I74-C106 HydrophobicContact CG2-CB 3.68Å |
| 75 | A | 92.8 | Very high | 93.1 | Very high | 67 Ų | 67 | 50.9 Ų | 50.9 | 55% | 0.554 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -68.7 | -14.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L71 | L71-A75 PolarHBondContact O-N 3.44Š|
| 76 | S | 93.2 | Very high | 93.3 | Very high | 25 Ų | 25 | 48.6 Ų | 48.6 | 18% | 0.175 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -65.4 | 146 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | K72 L73 I74 K78 D81 K82 | K72-S76 PolarHBondContact O-N 2.86Å; L73-S76 WeakPolarHBondContact O-CB 3.44Å; L73-S76 PolarHBondContact O-N 3.27Å; I74-S76 PolarHBondContact O-N 2.88Å; S76-K78 VanDerWaalsContact C-N 3.31Å; S76-K78 PolarHBondContact OG-N 3.08Å; S76-D81 VanDerWaalsContact CB-CB 3.5Å; S76-D81 WeakPolarHBondContact OG-CB 3.32Å; S76-D81 PolarHBondContact OG-OD2 3.46Å; S76-K82 WeakPolarHBondContact O-CE 3.2Å; S76-K82 WeakPolarHBondContact O-CG 3.26Å; S76-K82 PolarHBondContact O-NZ 3.03Å |
| 77 | Q | 91.7 | Very high | 93.6 | Very high | 187 Ų | 187 | 52.4 Ų | 52.4 | 87% | 0.874 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -75.4 | -17.4 | 173.5 | -65.2 | 179.6 | -4.5 | 0 | 0 | 113 | ||
| 78 | K | 93.9 | Very high | 93.8 | Very high | 114 Ų | 114 | 50.6 Ų | 50.6 | 50% | 0.496 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -79.8 | 125.9 | -176.8 | -56.4 | -179.8 | -158 | 143.5 | 0 | 110.5 | S76 T80 D81 K82 | S76-K78 VanDerWaalsContact C-N 3.31Å; S76-K78 PolarHBondContact OG-N 3.08Å; K78-T80 PolarHBondContact O-N 3.49Å; K78-D81 HydrophobicContact CB-CB 4.16Å; K78-D81 WeakPolarHBondContact CD-OD2 3.13Å; K78-D81 IonicContact NZ-OD2 2.65Å; K78-D81 WeakPolarHBondContact O-CB 3.47Å; K78-D81 PolarHBondContact O-N 3.23Å; K78-K82 PolarHBondContact O-N 3Å |
| 79 | F | 95.3 | Very high | 94 | Very high | 85 Ų | 85 | 45.8 Ų | 45.8 | 37% | 0.373 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -54 | -37.8 | 177.1 | 177.5 | -108.5 | 0 | 0 | 0 | 113.7 | D81 R83 V118 L121 | F79-D81 VanDerWaalsContact C-N 3.34Å; F79-D81 PolarHBondContact O-N 3.42Å; F79-R83 VanDerWaalsContact O-CB 3.27Å; F79-R83 WeakPolarHBondContact O-CB 3.35Å; F79-R83 PolarHBondContact O-N 3.44Å; F79-V118 HydrophobicContact CD2-CG2 3.92Å; F79-V118 HydrophobicContact CE2-CG2 4.5Å; F79-L121 HydrophobicContact CD2-CD1 4.24Å; F79-L121 HydrophobicContact CE2-CD1 3.64Å; F79-L121 HydrophobicContact CZ-CD1 4.34Å |
| 80 | T | 95.1 | Very high | 94 | Very high | 94 Ų | 94 | 48 Ų | 48 | 58% | 0.577 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63.4 | -39.2 | 176.8 | -47.2 | 0 | 0 | 0 | 0 | 112.3 | K78 I84 | K78-T80 PolarHBondContact O-N 3.49Å; T80-I84 PolarHBondContact O-N 3.48Å |
| 81 | D | 95.1 | Very high | 94.1 | Very high | 14 Ų | 14 | 52.2 Ų | 52.2 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.8 | -51.5 | 178.1 | -64.2 | -8.9 | 0 | 0 | 0 | 109.5 | C47 L73 S76 K78 F79 R83 I84 G85 | C47-D81 WeakPolarHBondContact CB-OD1 3.38Å; C47-D81 PolarHBondContact SG-OD1 3.42Å; L73-D81 HydrophobicContact CD2-CB 3.79Å; L73-D81 CarbonylContact O-C 3.57Å; S76-D81 VanDerWaalsContact CB-CB 3.5Å; S76-D81 WeakPolarHBondContact OG-CB 3.32Å; S76-D81 PolarHBondContact OG-OD2 3.46Å; K78-D81 HydrophobicContact CB-CB 4.16Å; K78-D81 WeakPolarHBondContact CD-OD2 3.13Å; K78-D81 IonicContact NZ-OD2 2.65Å; K78-D81 WeakPolarHBondContact O-CB 3.47Å; K78-D81 PolarHBondContact O-N 3.23Å; F79-D81 VanDerWaalsContact C-N 3.34Å; F79-D81 PolarHBondContact O-N 3.42Å; D81-R83 PolarHBondContact O-N 2.84Å; D81-I84 PolarHBondContact O-N 2.97Å; D81-G85 PolarHBondContact O-N 3.44Å |
| 82 | K | 95.6 | Very high | 94.1 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 6% | 0.057 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -51.9 | -43.1 | 174.6 | -70 | -171.9 | 172.7 | -64.9 | 0 | 112.2 | L73 I74 S76 K78 I84 G85 Y86 D110 V118 | L73-K82 WeakPolarHBondContact O-CA 3.13Å; L73-K82 PolarHBondContact O-N 3.2Å; I74-K82 PolarHBondContact O-NZ 3.49Å; S76-K82 WeakPolarHBondContact O-CE 3.2Å; S76-K82 WeakPolarHBondContact O-CG 3.26Å; S76-K82 PolarHBondContact O-NZ 3.03Å; K78-K82 PolarHBondContact O-N 3Å; K82-I84 PolarHBondContact O-N 3.26Å; K82-G85 PolarHBondContact O-N 2.98Å; K82-Y86 HydrophobicContact CB-CD2 4.45Å; K82-Y86 WeakPolarHBondContact O-CB 3.45Å; K82-Y86 WeakPolarHBondContact O-CD2 3.41Å; K82-Y86 PolarHBondContact O-N 3.34Å; K82-D110 WeakPolarHBondContact CD-OD2 3.43Å; K82-D110 WeakPolarHBondContact CE-OD1 3.41Å; K82-D110 WeakPolarHBondContact CE-OD2 3.25Å; K82-D110 IonicContact NZ-OD1 2.73Å; K82-D110 PolarHBondContact NZ-OD1 3.24Å; K82-D110 IonicContact NZ-OD2 2.77Å; K82-D110 PolarHBondContact NZ-OD2 2.99Å; K82-V118 HydrophobicContact CD-CG1 3.86Å; K82-V118 HydrophobicContact CD-CG2 4.11Å |
| 83 | R | 96.5 | Very high | 93.9 | Very high | 153 Ų | 153 | 49.6 Ų | 49.6 | 58% | 0.577 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -63.1 | -38.7 | 179.1 | -177.6 | 175.9 | 176.9 | 174.4 | 0.7 | 113.1 | F79 D81 L87 L121 | F79-R83 VanDerWaalsContact O-CB 3.27Å; F79-R83 WeakPolarHBondContact O-CB 3.35Å; F79-R83 PolarHBondContact O-N 3.44Å; D81-R83 PolarHBondContact O-N 2.84Å; R83-L87 WeakPolarHBondContact O-CB 3.44Å; R83-L87 PolarHBondContact O-N 3.06Å; R83-L121 HydrophobicContact CB-CD1 4.09Å; R83-L121 HydrophobicContact CG-CD2 4.43Å |
| 84 | I | 96.3 | Very high | 93.4 | Very high | 34 Ų | 34 | 53 Ų | 53 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -79.1 | -37.2 | 176.1 | -63.8 | -59.6 | 0 | 0 | 0 | 111.3 | V50 A51 L73 T80 D81 K82 L87 G88 | V50-I84 HydrophobicContact CB-CG2 4.21Å; V50-I84 HydrophobicContact CG1-CG2 3.89Å; A51-I84 HydrophobicContact CB-CD1 4.4Å; A51-I84 HydrophobicContact CB-CG2 4.24Å; L73-I84 HydrophobicContact CD1-CB 4.46Å; L73-I84 HydrophobicContact CD1-CG2 4.02Å; T80-I84 PolarHBondContact O-N 3.48Å; D81-I84 PolarHBondContact O-N 2.97Å; K82-I84 PolarHBondContact O-N 3.26Å; I84-L87 PolarHBondContact O-N 2.88Å; I84-G88 PolarHBondContact O-N 3.17Å |
| 85 | G | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61 | -48.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C70 I74 D81 K82 G88 A89 | C70-G85 WeakPolarHBondContact O-CA 3.42Å; I74-G85 VanDerWaalsContact CG1-C 3.49Å; D81-G85 PolarHBondContact O-N 3.44Å; K82-G85 PolarHBondContact O-N 2.98Å; G85-G88 CarbonylContact O-C 3.56Å; G85-G88 PolarHBondContact O-N 3.31Å; G85-A89 PolarHBondContact O-N 2.98Å |
| 86 | Y | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 176.5 | -82.2 | -54.6 | 0 | 0 | 0 | 113.2 | I74 K82 G88 A89 M90 I107 D110 L121 T125 | I74-Y86 HydrophobicContact CD1-CD1 3.66Å; I74-Y86 HydrophobicContact CD1-CE1 3.9Å; I74-Y86 HydrophobicContact CD1-CG 4.27Å; I74-Y86 HydrophobicContact CG1-CD1 3.81Å; I74-Y86 HydrophobicContact CG1-CD2 4.32Å; I74-Y86 HydrophobicContact CG1-CE1 4.05Å; I74-Y86 HydrophobicContact CG1-CG 3.97Å; I74-Y86 HydrophobicContact CG2-CD1 4.36Å; I74-Y86 HydrophobicContact CG2-CE1 3.75Å; I74-Y86 HydrophobicContact CG2-CE2 3.97Å; K82-Y86 HydrophobicContact CB-CD2 4.45Å; K82-Y86 WeakPolarHBondContact O-CB 3.45Å; K82-Y86 WeakPolarHBondContact O-CD2 3.41Å; K82-Y86 PolarHBondContact O-N 3.34Å; Y86-G88 VanDerWaalsContact C-N 3.28Å; Y86-G88 PolarHBondContact O-N 2.82Å; Y86-A89 PolarHBondContact O-N 2.86Å; Y86-M90 WeakPolarHBondContact O-CG 3.18Å; Y86-M90 PolarHBondContact O-N 3.45Å; Y86-M90 VanDerWaalsContact O-N 3.08Å; Y86-I107 HydrophobicContact CE1-CD1 4.37Å; Y86-I107 HydrophobicContact CE1-CG1 3.79Å; Y86-D110 WeakPolarHBondContact CE2-OD2 3.38Å; Y86-D110 WeakPolarHBondContact OH-CB 3.4Å; Y86-D110 PolarHBondContact OH-OD2 3.3Å; Y86-L121 HydrophobicContact CD2-CB 3.59Å; Y86-L121 HydrophobicContact CD2-CD1 4.3Å; Y86-L121 HydrophobicContact CD2-CG 4.48Å; Y86-L121 HydrophobicContact CE2-CB 4.05Å; Y86-L121 HydrophobicContact CG-CB 4.23Å; Y86-T125 HydrophobicContact CD1-CG2 3.89Å; Y86-T125 WeakPolarHBondContact CD1-OG1 3.39Å; Y86-T125 HydrophobicContact CE1-CG2 4.36Å |
| 87 | L | 95.9 | Very high | 91.5 | Very high | 79 Ų | 79 | 67.4 Ų | 67.4 | 41% | 0.414 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 171.1 | 178.5 | 61.2 | 0 | 0 | 0 | 111.4 | L54 R83 I84 M90 L91 | L54-L87 HydrophobicContact CD1-CG 4.35Å; R83-L87 WeakPolarHBondContact O-CB 3.44Å; R83-L87 PolarHBondContact O-N 3.06Å; I84-L87 PolarHBondContact O-N 2.88Å; L87-M90 PolarHBondContact O-N 2.97Å; L87-L91 HydrophobicContact CD1-CD1 3.99Å; L87-L91 HydrophobicContact CG-CD1 4.13Å; L87-L91 WeakPolarHBondContact O-CG 3.26Å; L87-L91 PolarHBondContact O-N 3.42Å |
| 88 | G | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.2 | -32.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I84 G85 Y86 L91 L92 | I84-G88 PolarHBondContact O-N 3.17Å; G85-G88 CarbonylContact O-C 3.56Å; G85-G88 PolarHBondContact O-N 3.31Å; Y86-G88 VanDerWaalsContact C-N 3.28Å; Y86-G88 PolarHBondContact O-N 2.82Å; G88-L91 PolarHBondContact O-N 2.94Å; G88-L92 WeakPolarHBondContact O-CB 3.48Å; G88-L92 PolarHBondContact O-N 3.28Å |
| 89 | A | 92.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I74 G85 Y86 L91 L93 M103 T125 | I74-A89 HydrophobicContact CD1-CB 3.91Å; G85-A89 PolarHBondContact O-N 2.98Å; Y86-A89 PolarHBondContact O-N 2.86Å; A89-L91 PolarHBondContact O-N 2.92Å; A89-L93 HydrophobicContact CB-CD1 3.91Å; A89-L93 WeakPolarHBondContact O-CB 3.21Å; A89-L93 PolarHBondContact O-N 3.43Å; A89-L93 VanDerWaalsContact O-N 3.12Å; A89-M103 HydrophobicContact CB-SD 4.16Å; A89-T125 HydrophobicContact CB-CG2 4.33Å |
| 90 | M | 93.1 | Very high | 88.7 | Confident | 58 Ų | 58 | 57.7 Ų | 57.7 | 29% | 0.286 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.4 | -5.2 | 177 | -66.8 | -175.5 | -67.4 | 0 | 0 | 115.4 | Y86 L87 T125 C128 M129 | Y86-M90 WeakPolarHBondContact O-CG 3.18Å; Y86-M90 PolarHBondContact O-N 3.45Å; Y86-M90 VanDerWaalsContact O-N 3.08Å; L87-M90 PolarHBondContact O-N 2.97Å; M90-T125 HydrophobicContact CG-CG2 3.95Å; M90-C128 HydrophobicContact SD-CB 4.03Å; M90-M129 HydrophobicContact CG-CG 4Å |
| 91 | L | 93.4 | Very high | 88 | Confident | 88 Ų | 88 | 59.6 Ų | 59.6 | 46% | 0.461 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -121.4 | -32.2 | -179 | -67.9 | 174 | 0 | 0 | 0 | 113.7 | L54 H57 L87 G88 A89 | L54-L91 HydrophobicContact CD2-CB 4.17Å; L54-L91 HydrophobicContact CD2-CD1 4.26Å; H57-L91 PolarHBondContact NE2-O 3.29Å; L87-L91 HydrophobicContact CD1-CD1 3.99Å; L87-L91 HydrophobicContact CG-CD1 4.13Å; L87-L91 WeakPolarHBondContact O-CG 3.26Å; L87-L91 PolarHBondContact O-N 3.42Å; G88-L91 PolarHBondContact O-N 2.94Å; A89-L91 PolarHBondContact O-N 2.92Å |
| 92 | L | 90.8 | Very high | 87.6 | Confident | 15 Ų | 15 | 63.9 Ų | 63.9 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -109.5 | -13.4 | -175 | -59.7 | -177.8 | 0 | 0 | 0 | 114.2 | L54 H57 A63 Q67 G88 | L54-L92 HydrophobicContact CD2-CD1 3.64Å; L54-L92 HydrophobicContact CD2-CD2 4.15Å; L54-L92 HydrophobicContact CD2-CG 3.6Å; H57-L92 HydrophobicContact CB-CD2 4.01Å; H57-L92 VanDerWaalsContact CD2-CD2 3.46Å; H57-L92 WeakPolarHBondContact CD2-CD2 3.31Å; A63-L92 HydrophobicContact CB-CD1 4.45Å; A63-L92 HydrophobicContact CB-CD2 3.65Å; Q67-L92 HydrophobicContact CG-CB 4.03Å; Q67-L92 WeakPolarHBondContact CG-O 3.3Å; Q67-L92 PolarHBondContact NE2-O 2.98Å; G88-L92 WeakPolarHBondContact O-CB 3.48Å; G88-L92 PolarHBondContact O-N 3.28Å |
| 93 | L | 88.3 | Confident | 87.2 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | trans | -106.4 | 128.1 | 177.3 | -58.2 | 179.2 | 0 | 0 | 0 | 109.5 | Q67 L71 A89 Q97 V99 M103 M129 | Q67-L93 HydrophobicContact CB-CD2 3.77Å; Q67-L93 HydrophobicContact CG-CD2 3.83Å; L71-L93 HydrophobicContact CD2-CD1 4.09Å; A89-L93 HydrophobicContact CB-CD1 3.91Å; A89-L93 WeakPolarHBondContact O-CB 3.21Å; A89-L93 PolarHBondContact O-N 3.43Å; A89-L93 VanDerWaalsContact O-N 3.12Å; L93-Q97 HydrophobicContact CD2-CG 4.31Å; L93-V99 HydrophobicContact CD1-CG2 4.02Å; L93-V99 HydrophobicContact CD2-CG2 3.79Å; L93-V99 HydrophobicContact CG-CG2 4.48Å; L93-M103 HydrophobicContact CD1-CE 4.19Å; L93-M103 HydrophobicContact CD1-SD 3.75Å; L93-M129 HydrophobicContact CB-CE 3.76Å; L93-M129 WeakPolarHBondContact O-CE 3.3Å | ||
| 94 | D | 83.7 | Confident | 87 | Confident | 73 Ų | 73 | 56.6 Ų | 56.6 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | trans | -111.7 | 178.2 | 169.7 | 71.9 | -9.3 | 0 | 0 | 0 | 110.1 | R96 Q97 H100 | D94-R96 PolarHBondContact O-N 2.73Å; D94-R96 WeakPolarHBondContact OD1-CB 3.41Å; D94-R96 PolarHBondContact OD1-N 3.05Å; D94-R96 VanDerWaalsContact OD1-N 3.15Å; D94-R96 WeakPolarHBondContact OD2-CB 3.34Å; D94-R96 WeakPolarHBondContact OD2-CD 3.13Å; D94-R96 WeakPolarHBondContact OD2-CG 3.31Å; D94-Q97 PolarHBondContact OD1-N 3.32Å; D94-H100 PolarHBondContact O-CE1 2.95Å | ||
| 95 | E | 81.8 | Confident | 86.9 | Confident | 93 Ų | 93 | 59.5 Ų | 59.5 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -11.4 | 178.8 | -62.9 | -176.8 | 101.2 | 0 | 0 | 113.2 | H100 S131 K167 | E95-H100 PolarHBondContact O-NE2 3.16Å; E95-S131 WeakPolarHBondContact OE1-CA 3.22Å; E95-K167 WeakPolarHBondContact OE1-CE 3.31Å; E95-K167 IonicContact OE1-NZ 3.13Å; E95-K167 PolarHBondContact OE1-NZ 3.08Å; E95-K167 IonicContact OE2-NZ 2.7Å; E95-K167 PolarHBondContact OE2-NZ 3.25Å |
| 96 | R | 81.1 | Confident | 86.8 | Confident | 230 Ų | 230 | 60.7 Ų | 60.7 | 87% | 0.868 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -25.9 | -178.8 | -55 | 178.4 | 172.9 | -177.3 | -4.2 | 112.4 | D94 | D94-R96 PolarHBondContact O-N 2.73Å; D94-R96 WeakPolarHBondContact OD1-CB 3.41Å; D94-R96 PolarHBondContact OD1-N 3.05Å; D94-R96 VanDerWaalsContact OD1-N 3.15Å; D94-R96 WeakPolarHBondContact OD2-CB 3.34Å; D94-R96 WeakPolarHBondContact OD2-CD 3.13Å; D94-R96 WeakPolarHBondContact OD2-CG 3.31Å |
| 97 | Q | 77.6 | Confident | 86.7 | Confident | 73 Ų | 73 | 60.7 Ų | 60.7 | 34% | 0.341 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -79.8 | 117.6 | -179.1 | -173.2 | 60.1 | 52 | 0 | 0 | 111.8 | L93 D94 V99 H100 | L93-Q97 HydrophobicContact CD2-CG 4.31Å; D94-Q97 PolarHBondContact OD1-N 3.32Å; Q97-V99 VanDerWaalsContact C-N 3.25Å; Q97-V99 HydrophobicContact CG-CG1 4.13Å; Q97-V99 HydrophobicContact CG-CG2 4.05Å; Q97-V99 PolarHBondContact O-N 3.07Å; Q97-H100 PolarHBondContact O-CE1 2.72Å; Q97-H100 PolarHBondContact O-NE2 2.89Å |
| 98 | D | 71.4 | Confident | 86.7 | Confident | 135 Ų | 135 | 61 Ų | 61 | 72% | 0.722 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -75.4 | 69.5 | -179.2 | -169.9 | 22 | 0 | 0 | 0 | 113.3 | ||
| 99 | V | 76.3 | Confident | 86.8 | Confident | 13 Ų | 13 | 65.7 Ų | 65.7 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | trans | -127.4 | 9.3 | 171.4 | -63 | 0 | 0 | 0 | 0 | 112.5 | L68 L71 L93 Q97 L101 L102 M103 | L68-V99 HydrophobicContact CD2-CG1 4.29Å; L71-V99 HydrophobicContact CD1-CB 3.86Å; L71-V99 HydrophobicContact CD1-CG1 4.17Å; L71-V99 HydrophobicContact CD1-CG2 4.18Å; L93-V99 HydrophobicContact CD1-CG2 4.02Å; L93-V99 HydrophobicContact CD2-CG2 3.79Å; L93-V99 HydrophobicContact CG-CG2 4.48Å; Q97-V99 VanDerWaalsContact C-N 3.25Å; Q97-V99 HydrophobicContact CG-CG1 4.13Å; Q97-V99 HydrophobicContact CG-CG2 4.05Å; Q97-V99 PolarHBondContact O-N 3.07Å; V99-L101 VanDerWaalsContact C-N 3.34Å; V99-L101 PolarHBondContact O-N 2.89Å; V99-L102 PolarHBondContact O-N 3.47Å; V99-M103 PolarHBondContact O-N 3.32Å | ||
| 100 | H | 72.6 | Confident | 87 | Confident | 34 Ų | 34 | 66.1 Ų | 66.1 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.8 | -44.2 | -171.4 | -59.9 | -36.9 | 0 | 0 | 0 | 112.2 | D94 E95 Q97 L102 M103 T104 M134 | D94-H100 PolarHBondContact O-CE1 2.95Å; E95-H100 PolarHBondContact O-NE2 3.16Å; Q97-H100 PolarHBondContact O-CE1 2.72Å; Q97-H100 PolarHBondContact O-NE2 2.89Å; H100-L102 VanDerWaalsContact C-N 3.35Å; H100-L102 PolarHBondContact O-N 3.43Å; H100-M103 CarbonylContact O-C 3.6Å; H100-M103 PolarHBondContact O-N 3.22Å; H100-T104 PolarHBondContact O-N 3.13Å; H100-T104 PolarHBondContact O-OG1 3.42Å; H100-T104 VanDerWaalsContact O-OG1 3.12Å; H100-M134 HydrophobicContact CB-CG 4.37Å |
| 101 | L | 81.7 | Confident | 87.1 | Confident | 135 Ų | 135 | 63.4 Ų | 63.4 | 71% | 0.707 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -56.4 | -42.9 | 179.4 | -66.2 | 173.1 | 0 | 0 | 0 | 113.6 | V99 M103 N105 | V99-L101 VanDerWaalsContact C-N 3.34Å; V99-L101 PolarHBondContact O-N 2.89Å; L101-M103 VanDerWaalsContact C-N 3.34Å; L101-N105 PolarHBondContact O-N 3.07Å |
| 102 | L | 85.4 | Confident | 87.2 | Confident | 103 Ų | 103 | 63 Ų | 63 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 177.8 | -66.8 | 175 | 0 | 0 | 0 | 110.9 | L71 V99 H100 C106 | L71-L102 HydrophobicContact CD1-CB 4.38Å; L71-L102 HydrophobicContact CD1-CD1 4.2Å; V99-L102 PolarHBondContact O-N 3.47Å; H100-L102 VanDerWaalsContact C-N 3.35Å; H100-L102 PolarHBondContact O-N 3.43Å; L102-C106 WeakPolarHBondContact O-CB 3.49Å; L102-C106 PolarHBondContact O-N 2.9Å; L102-C106 VanDerWaalsContact O-N 3.09Å; L102-C106 PolarHBondContact O-SG 2.73Å |
| 103 | M | 88.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.4 | -39.8 | 179.2 | -169.2 | 158.1 | 58.8 | 0 | 0 | 112.3 | L71 A89 L93 V99 H100 L101 C106 I107 M129 M134 | L71-M103 HydrophobicContact CD2-CB 4.17Å; A89-M103 HydrophobicContact CB-SD 4.16Å; L93-M103 HydrophobicContact CD1-CE 4.19Å; L93-M103 HydrophobicContact CD1-SD 3.75Å; V99-M103 PolarHBondContact O-N 3.32Å; H100-M103 CarbonylContact O-C 3.6Å; H100-M103 PolarHBondContact O-N 3.22Å; L101-M103 VanDerWaalsContact C-N 3.34Å; M103-C106 PolarHBondContact O-N 2.71Å; M103-I107 HydrophobicContact CG-CD1 3.78Å; M103-I107 HydrophobicContact CG-CG1 4.41Å; M103-I107 WeakPolarHBondContact O-CB 3.28Å; M103-I107 VanDerWaalsContact O-CG1 3.3Å; M103-I107 WeakPolarHBondContact O-CG1 3.5Å; M103-I107 PolarHBondContact O-N 3.15Å; M103-M129 HydrophobicContact CE-CE 3.6Å; M103-M129 HydrophobicContact CE-SD 3.78Å; M103-M129 HydrophobicContact SD-CE 4.26Å; M103-M129 HydrophobicContact SD-SD 4.06Å; M103-M134 HydrophobicContact CB-CE 4.26Å; M103-M134 HydrophobicContact CE-CE 3.66Å; M103-M134 HydrophobicContact CE-SD 3.54Å; M103-M134 VanDerWaalsContact CE-SD 3.54Å; M103-M134 HydrophobicContact CG-CE 3.73Å; M103-M134 HydrophobicContact SD-CE 4.27Å |
| 104 | T | 91.8 | Very high | 87.8 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 8% | 0.08 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.2 | -52.3 | 172.1 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | H100 I107 K108 M134 D137 L138 | H100-T104 PolarHBondContact O-N 3.13Å; H100-T104 PolarHBondContact O-OG1 3.42Å; H100-T104 VanDerWaalsContact O-OG1 3.12Å; T104-I107 PolarHBondContact O-N 3.15Å; T104-K108 WeakPolarHBondContact O-CB 3.45Å; T104-K108 PolarHBondContact O-N 2.97Å; T104-M134 WeakPolarHBondContact OG1-CG 3.32Å; T104-D137 HydrophobicContact CG2-CB 3.55Å; T104-D137 WeakPolarHBondContact CG2-OD2 3.22Å; T104-L138 HydrophobicContact CG2-CD1 4.29Å; T104-L138 HydrophobicContact CG2-CD2 4.09Å; T104-L138 HydrophobicContact CG2-CG 4.1Å |
| 105 | N | 93.4 | Very high | 88.3 | Confident | 95 Ų | 95 | 69.2 Ų | 69.2 | 51% | 0.508 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.9 | -48.9 | -179.5 | -173.9 | 0.4 | 0 | 0 | 0 | 111.1 | L101 I107 K108 N109 | L101-N105 PolarHBondContact O-N 3.07Å; N105-I107 VanDerWaalsContact C-N 3.35Å; N105-I107 PolarHBondContact O-N 2.65Å; N105-K108 PolarHBondContact O-N 3.19Å; N105-N109 PolarHBondContact O-N 3.4Å; N105-N109 VanDerWaalsContact O-N 3.13Å; N105-N109 PolarHBondContact O-ND2 3Å; N105-N109 PolarHBondContact OD1-ND2 3.4Å |
| 106 | C | 93.4 | Very high | 89 | Confident | 26 Ų | 26 | 67.7 Ų | 67.7 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.4 | -45 | 176.7 | -70.2 | 0 | 0 | 0 | 0 | 112.7 | I74 L102 M103 D110 | I74-C106 HydrophobicContact CG2-CB 3.68Å; L102-C106 WeakPolarHBondContact O-CB 3.49Å; L102-C106 PolarHBondContact O-N 2.9Å; L102-C106 VanDerWaalsContact O-N 3.09Å; L102-C106 PolarHBondContact O-SG 2.73Å; M103-C106 PolarHBondContact O-N 2.71Å; C106-D110 WeakPolarHBondContact O-CB 3.27Å; C106-D110 PolarHBondContact O-N 3.36Å |
| 107 | I | 95.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 177 | -72.1 | 171.6 | 0 | 0 | 0 | 110.9 | Y86 M103 T104 N105 N109 D110 L111 A122 T125 L126 M134 L138 | Y86-I107 HydrophobicContact CE1-CD1 4.37Å; Y86-I107 HydrophobicContact CE1-CG1 3.79Å; M103-I107 HydrophobicContact CG-CD1 3.78Å; M103-I107 HydrophobicContact CG-CG1 4.41Å; M103-I107 WeakPolarHBondContact O-CB 3.28Å; M103-I107 VanDerWaalsContact O-CG1 3.3Å; M103-I107 WeakPolarHBondContact O-CG1 3.5Å; M103-I107 PolarHBondContact O-N 3.15Å; T104-I107 PolarHBondContact O-N 3.15Å; N105-I107 VanDerWaalsContact C-N 3.35Å; N105-I107 PolarHBondContact O-N 2.65Å; I107-N109 VanDerWaalsContact C-N 3.28Å; I107-N109 PolarHBondContact O-N 2.91Å; I107-D110 PolarHBondContact O-N 3.35Å; I107-D110 VanDerWaalsContact O-N 3.13Å; I107-L111 HydrophobicContact CG2-CD1 3.76Å; I107-L111 HydrophobicContact CG2-CG 3.88Å; I107-L111 WeakPolarHBondContact O-CB 3.45Å; I107-L111 WeakPolarHBondContact O-CG 3.28Å; I107-L111 PolarHBondContact O-N 3.02Å; I107-A122 HydrophobicContact CG2-CB 4.24Å; I107-T125 HydrophobicContact CD1-CG2 4.37Å; I107-L126 HydrophobicContact CG2-CD2 4.48Å; I107-M134 HydrophobicContact CD1-CE 3.59Å; I107-L138 HydrophobicContact CB-CD1 4.12Å; I107-L138 HydrophobicContact CG2-CD1 3.59Å; I107-L138 HydrophobicContact CG2-CD2 4.5Å |
| 108 | K | 95.1 | Very high | 90.7 | Very high | 85 Ų | 85 | 59.1 Ų | 59.1 | 37% | 0.37 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.2 | -40.1 | 179.6 | -164.2 | 158.4 | -170.8 | 155.9 | 0 | 112.7 | T104 N105 N112 D137 L138 E141 | T104-K108 WeakPolarHBondContact O-CB 3.45Å; T104-K108 PolarHBondContact O-N 2.97Å; N105-K108 PolarHBondContact O-N 3.19Å; K108-N112 PolarHBondContact O-ND2 3.09Å; K108-D137 PolarHBondContact NZ-O 2.85Å; K108-L138 HydrophobicContact CB-CD2 3.71Å; K108-L138 HydrophobicContact CD-CD2 4.16Å; K108-L138 HydrophobicContact CG-CD2 4.05Å; K108-E141 HydrophobicContact CG-CG 4.31Å |
| 109 | N | 95.3 | Very high | 91.9 | Very high | 98 Ų | 98 | 54 Ų | 54 | 52% | 0.524 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.6 | -46.5 | 174.6 | -63.6 | -42.7 | 0 | 0 | 0 | 111.6 | N105 I107 L111 N112 H113 | N105-N109 PolarHBondContact O-N 3.4Å; N105-N109 VanDerWaalsContact O-N 3.13Å; N105-N109 PolarHBondContact O-ND2 3Å; N105-N109 PolarHBondContact OD1-ND2 3.4Å; I107-N109 VanDerWaalsContact C-N 3.28Å; I107-N109 PolarHBondContact O-N 2.91Å; N109-L111 PolarHBondContact O-N 3.06Å; N109-N112 CarbonylContact O-C 3.5Å; N109-N112 PolarHBondContact O-N 3.4Å; N109-N112 VanDerWaalsContact O-N 3.08Å; N109-H113 PolarHBondContact O-N 3.41Å |
| 110 | D | 96.3 | Very high | 92.8 | Very high | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.053 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.1 | -25.1 | -178.5 | -85.5 | 8.7 | 0 | 0 | 0 | 114.2 | K82 Y86 C106 I107 N112 H113 V118 Q119 A122 | K82-D110 WeakPolarHBondContact CD-OD2 3.43Å; K82-D110 WeakPolarHBondContact CE-OD1 3.41Å; K82-D110 WeakPolarHBondContact CE-OD2 3.25Å; K82-D110 IonicContact NZ-OD1 2.73Å; K82-D110 PolarHBondContact NZ-OD1 3.24Å; K82-D110 IonicContact NZ-OD2 2.77Å; K82-D110 PolarHBondContact NZ-OD2 2.99Å; Y86-D110 WeakPolarHBondContact CE2-OD2 3.38Å; Y86-D110 WeakPolarHBondContact OH-CB 3.4Å; Y86-D110 PolarHBondContact OH-OD2 3.3Å; C106-D110 WeakPolarHBondContact O-CB 3.27Å; C106-D110 PolarHBondContact O-N 3.36Å; I107-D110 PolarHBondContact O-N 3.35Å; I107-D110 VanDerWaalsContact O-N 3.13Å; D110-N112 PolarHBondContact O-N 3.48Å; D110-H113 VanDerWaalsContact O-CB 3.32Å; D110-H113 WeakPolarHBondContact O-CB 3.47Å; D110-H113 PolarHBondContact O-N 3.45Å; D110-V118 HydrophobicContact CB-CG1 3.67Å; D110-V118 WeakPolarHBondContact OD2-CG1 3.33Å; D110-Q119 WeakPolarHBondContact O-CA 3.43Å; D110-Q119 WeakPolarHBondContact O-CG 3.46Å; D110-Q119 PolarHBondContact O-N 2.79Å; D110-A122 HydrophobicContact CB-CB 3.96Å |
| 111 | L | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.8 | -26.9 | 168.2 | -72.4 | 177.3 | 0 | 0 | 0 | 112.1 | I107 N109 Q119 A122 L123 L138 E141 L145 | I107-L111 HydrophobicContact CG2-CD1 3.76Å; I107-L111 HydrophobicContact CG2-CG 3.88Å; I107-L111 WeakPolarHBondContact O-CB 3.45Å; I107-L111 WeakPolarHBondContact O-CG 3.28Å; I107-L111 PolarHBondContact O-N 3.02Å; N109-L111 PolarHBondContact O-N 3.06Å; L111-Q119 WeakPolarHBondContact O-CG 3.34Å; L111-Q119 PolarHBondContact O-NE2 2.87Å; L111-A122 HydrophobicContact CD2-CB 3.74Å; L111-A122 HydrophobicContact CG-CB 4.04Å; L111-L123 HydrophobicContact CD2-CB 4.47Å; L111-L123 HydrophobicContact CD2-CD2 3.6Å; L111-L123 HydrophobicContact CD2-CG 3.58Å; L111-L138 HydrophobicContact CD1-CD2 4.38Å; L111-E141 HydrophobicContact CD1-CB 3.88Å; L111-L145 HydrophobicContact CB-CD1 3.97Å; L111-L145 HydrophobicContact CD2-CD1 3.67Å; L111-L145 HydrophobicContact CG-CD1 4.3Å |
| 112 | N | 95.4 | Very high | 94.7 | Very high | 79 Ų | 79 | 46.9 Ų | 46.9 | 42% | 0.422 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 5.5 | 176.7 | -74.9 | -82.5 | 0 | 0 | 0 | 113.3 | K108 N109 D110 E141 K144 | K108-N112 PolarHBondContact O-ND2 3.09Å; N109-N112 CarbonylContact O-C 3.5Å; N109-N112 PolarHBondContact O-N 3.4Å; N109-N112 VanDerWaalsContact O-N 3.08Å; D110-N112 PolarHBondContact O-N 3.48Å; N112-E141 PolarHBondContact ND2-OE2 2.78Å; N112-K144 PolarHBondContact OD1-NZ 3.2Å |
| 113 | H | 96.3 | Very high | 95.2 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 28% | 0.282 | 22% | 0.222 | S | C | . | . | trans | -71.4 | 141.4 | -179 | -174.9 | -93.7 | 0 | 0 | 0 | 112.8 | N109 D110 T115 V118 Q119 | N109-H113 PolarHBondContact O-N 3.41Å; D110-H113 VanDerWaalsContact O-CB 3.32Å; D110-H113 WeakPolarHBondContact O-CB 3.47Å; D110-H113 PolarHBondContact O-N 3.45Å; H113-T115 PolarHBondContact CE1-OG1 2.89Å; H113-T115 PolarHBondContact ND1-N 3.36Å; H113-T115 VanDerWaalsContact ND1-N 3.17Å; H113-T115 PolarHBondContact O-N 2.74Å; H113-T115 VanDerWaalsContact O-N 3.1Å; H113-V118 HydrophobicContact CB-CB 4.2Å; H113-V118 HydrophobicContact CB-CG1 3.8Å; H113-V118 WeakPolarHBondContact ND1-CB 3.37Å; H113-Q119 WeakPolarHBondContact O-CG 3.38Å | ||
| 114 | S | 94.6 | Very high | 95.6 | Very high | 112 Ų | 112 | 44.1 Ų | 44.1 | 78% | 0.783 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -58.2 | -27.9 | -175.1 | 62.3 | 0 | 0 | 0 | 0 | 115.2 | ||
| 115 | T | 95.9 | Very high | 95.8 | Very high | 58 Ų | 58 | 43.5 Ų | 43.5 | 36% | 0.356 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -93.7 | 114.3 | -177.8 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | H113 Y117 V118 Q119 | H113-T115 PolarHBondContact CE1-OG1 2.89Å; H113-T115 PolarHBondContact ND1-N 3.36Å; H113-T115 VanDerWaalsContact ND1-N 3.17Å; H113-T115 PolarHBondContact O-N 2.74Å; H113-T115 VanDerWaalsContact O-N 3.1Å; T115-Y117 HydrophobicContact CG2-CD2 4.1Å; T115-Y117 PolarHBondContact O-N 3.24Å; T115-V118 WeakPolarHBondContact O-CB 3.11Å; T115-V118 PolarHBondContact O-N 2.71Å; T115-Q119 PolarHBondContact O-N 2.76Å |
| 116 | Q | 95.9 | Very high | 95.9 | Very high | 62 Ų | 62 | 39 Ų | 39 | 29% | 0.29 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -50.2 | -29.2 | 179.1 | 62.1 | 174.2 | -33.1 | 0 | 0 | 115.4 | G120 N150 Y152 L153 | Q116-G120 WeakPolarHBondContact O-CA 3.49Å; Q116-G120 PolarHBondContact O-N 2.82Å; Q116-N150 PolarHBondContact OE1-ND2 3.46Å; Q116-Y152 HydrophobicContact CB-CD1 4.42Å; Q116-L153 HydrophobicContact CB-CD1 4.35Å; Q116-L153 HydrophobicContact CB-CD2 4.21Å; Q116-L153 HydrophobicContact CB-CG 4.34Å; Q116-L153 WeakPolarHBondContact O-CD2 3.35Å |
| 117 | Y | 96.6 | Very high | 96 | Very high | 119 Ų | 119 | 38.8 Ų | 38.8 | 47% | 0.467 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -73.8 | -25 | 178 | -57.5 | -61.3 | 0 | 0 | 0 | 113.4 | T115 L121 Y152 | T115-Y117 HydrophobicContact CG2-CD2 4.1Å; T115-Y117 PolarHBondContact O-N 3.24Å; Y117-L121 WeakPolarHBondContact O-CG 3.43Å; Y117-L121 PolarHBondContact O-N 2.84Å; Y117-L121 VanDerWaalsContact O-N 3.16Å; Y117-Y152 HydrophobicContact CD1-CE1 4.12Å; Y117-Y152 AromaticContact CD1-CZ 3.92Å; Y117-Y152 HydrophobicContact CE1-CE2 4.46Å |
| 118 | V | 96.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -76.6 | -49.8 | 173.6 | 173 | 0 | 0 | 0 | 0 | 109.8 | F79 K82 D110 H113 T115 G120 L121 A122 | F79-V118 HydrophobicContact CD2-CG2 3.92Å; F79-V118 HydrophobicContact CE2-CG2 4.5Å; K82-V118 HydrophobicContact CD-CG1 3.86Å; K82-V118 HydrophobicContact CD-CG2 4.11Å; D110-V118 HydrophobicContact CB-CG1 3.67Å; D110-V118 WeakPolarHBondContact OD2-CG1 3.33Å; H113-V118 HydrophobicContact CB-CB 4.2Å; H113-V118 HydrophobicContact CB-CG1 3.8Å; H113-V118 WeakPolarHBondContact ND1-CB 3.37Å; T115-V118 WeakPolarHBondContact O-CB 3.11Å; T115-V118 PolarHBondContact O-N 2.71Å; V118-G120 PolarHBondContact O-N 3.47Å; V118-L121 WeakPolarHBondContact O-CB 3.24Å; V118-L121 PolarHBondContact O-N 2.72Å; V118-A122 PolarHBondContact O-N 2.97Å |
| 119 | Q | 96.8 | Very high | 95.7 | Very high | 28 Ų | 28 | 40 Ų | 40 | 13% | 0.131 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -53.4 | -39.3 | 170.2 | -54.8 | 177.3 | -68.6 | 0 | 0 | 110.9 | D110 L111 H113 T115 L121 A122 L123 L153 | D110-Q119 WeakPolarHBondContact O-CA 3.43Å; D110-Q119 WeakPolarHBondContact O-CG 3.46Å; D110-Q119 PolarHBondContact O-N 2.79Å; L111-Q119 WeakPolarHBondContact O-CG 3.34Å; L111-Q119 PolarHBondContact O-NE2 2.87Å; H113-Q119 WeakPolarHBondContact O-CG 3.38Å; T115-Q119 PolarHBondContact O-N 2.76Å; Q119-L121 VanDerWaalsContact C-N 3.34Å; Q119-L121 PolarHBondContact O-N 3.02Å; Q119-A122 PolarHBondContact O-N 3.13Å; Q119-L123 WeakPolarHBondContact O-CB 3.47Å; Q119-L123 WeakPolarHBondContact O-CG 3.28Å; Q119-L123 PolarHBondContact O-N 3.21Å; Q119-L153 HydrophobicContact CB-CD2 3.82Å |
| 120 | G | 96.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.8 | -17.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q116 V118 C124 K156 | Q116-G120 WeakPolarHBondContact O-CA 3.49Å; Q116-G120 PolarHBondContact O-N 2.82Å; V118-G120 PolarHBondContact O-N 3.47Å; G120-C124 WeakPolarHBondContact O-CB 3.33Å; G120-K156 VanDerWaalsContact O-CE 3.29Å; G120-K156 WeakPolarHBondContact O-CE 3.3Å; G120-K156 PolarHBondContact O-NZ 2.83Å |
| 121 | L | 96.8 | Very high | 95.4 | Very high | 29 Ų | 29 | 35.1 Ų | 35.1 | 15% | 0.152 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -85.3 | -42.8 | 168.4 | -73.6 | 166.6 | 0 | 0 | 0 | 110.9 | F79 R83 Y86 Y117 V118 Q119 C124 T125 | F79-L121 HydrophobicContact CD2-CD1 4.24Å; F79-L121 HydrophobicContact CE2-CD1 3.64Å; F79-L121 HydrophobicContact CZ-CD1 4.34Å; R83-L121 HydrophobicContact CB-CD1 4.09Å; R83-L121 HydrophobicContact CG-CD2 4.43Å; Y86-L121 HydrophobicContact CD2-CB 3.59Å; Y86-L121 HydrophobicContact CD2-CD1 4.3Å; Y86-L121 HydrophobicContact CD2-CG 4.48Å; Y86-L121 HydrophobicContact CE2-CB 4.05Å; Y86-L121 HydrophobicContact CG-CB 4.23Å; Y117-L121 WeakPolarHBondContact O-CG 3.43Å; Y117-L121 PolarHBondContact O-N 2.84Å; Y117-L121 VanDerWaalsContact O-N 3.16Å; V118-L121 WeakPolarHBondContact O-CB 3.24Å; V118-L121 PolarHBondContact O-N 2.72Å; Q119-L121 VanDerWaalsContact C-N 3.34Å; Q119-L121 PolarHBondContact O-N 3.02Å; L121-C124 WeakPolarHBondContact O-CB 3.06Å; L121-C124 PolarHBondContact O-N 3.38Å; L121-C124 VanDerWaalsContact O-N 3.1Å; L121-T125 PolarHBondContact O-N 2.91Å; L121-T125 PolarHBondContact O-OG1 2.97Å |
| 122 | A | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.9 | -51.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | I107 D110 L111 V118 Q119 C124 T125 L126 | I107-A122 HydrophobicContact CG2-CB 4.24Å; D110-A122 HydrophobicContact CB-CB 3.96Å; L111-A122 HydrophobicContact CD2-CB 3.74Å; L111-A122 HydrophobicContact CG-CB 4.04Å; V118-A122 PolarHBondContact O-N 2.97Å; Q119-A122 PolarHBondContact O-N 3.13Å; A122-C124 PolarHBondContact O-N 3.48Å; A122-T125 PolarHBondContact O-N 3.14Å; A122-L126 WeakPolarHBondContact O-CB 3.43Å; A122-L126 PolarHBondContact O-N 2.64Å |
| 123 | L | 96.9 | Very high | 95 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -29.6 | 172.5 | -72.9 | 173.3 | 0 | 0 | 0 | 113.3 | L111 Q119 G127 V142 L145 L153 K156 A157 C160 | L111-L123 HydrophobicContact CD2-CB 4.47Å; L111-L123 HydrophobicContact CD2-CD2 3.6Å; L111-L123 HydrophobicContact CD2-CG 3.58Å; Q119-L123 WeakPolarHBondContact O-CB 3.47Å; Q119-L123 WeakPolarHBondContact O-CG 3.28Å; Q119-L123 PolarHBondContact O-N 3.21Å; L123-G127 PolarHBondContact O-N 3.25Å; L123-G127 VanDerWaalsContact O-N 3.09Å; L123-V142 HydrophobicContact CD2-CG2 4.29Å; L123-L145 HydrophobicContact CD1-CD1 4.28Å; L123-L145 HydrophobicContact CD2-CD1 4.15Å; L123-L145 HydrophobicContact CG-CD1 4.34Å; L123-L153 HydrophobicContact CD1-CD2 4.46Å; L123-K156 HydrophobicContact CB-CB 4.06Å; L123-K156 HydrophobicContact CD1-CB 3.86Å; L123-A157 HydrophobicContact CD1-CB 4.31Å; L123-C160 HydrophobicContact CD2-CB 4.08Å |
| 124 | C | 97.3 | Very high | 94.8 | Very high | 43 Ų | 43 | 35.2 Ų | 35.2 | 29% | 0.291 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -71.8 | -43.8 | 177.6 | -151.9 | 0 | 0 | 0 | 0 | 111.2 | G120 L121 A122 C128 | G120-C124 WeakPolarHBondContact O-CB 3.33Å; L121-C124 WeakPolarHBondContact O-CB 3.06Å; L121-C124 PolarHBondContact O-N 3.38Å; L121-C124 VanDerWaalsContact O-N 3.1Å; A122-C124 PolarHBondContact O-N 3.48Å; C124-C128 WeakPolarHBondContact O-CB 3.4Å; C124-C128 PolarHBondContact O-N 3.04Å; C124-C128 VanDerWaalsContact O-N 3.15Å; C124-C128 PolarHBondContact O-SG 3.45Å |
| 125 | T | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.6 | -49.9 | -178.9 | -52.8 | 0 | 0 | 0 | 0 | 110.1 | Y86 A89 M90 I107 L121 A122 G127 C128 M129 | Y86-T125 HydrophobicContact CD1-CG2 3.89Å; Y86-T125 WeakPolarHBondContact CD1-OG1 3.39Å; Y86-T125 HydrophobicContact CE1-CG2 4.36Å; A89-T125 HydrophobicContact CB-CG2 4.33Å; M90-T125 HydrophobicContact CG-CG2 3.95Å; I107-T125 HydrophobicContact CD1-CG2 4.37Å; L121-T125 PolarHBondContact O-N 2.91Å; L121-T125 PolarHBondContact O-OG1 2.97Å; A122-T125 PolarHBondContact O-N 3.14Å; T125-G127 VanDerWaalsContact C-N 3.32Å; T125-G127 PolarHBondContact O-N 3.43Å; T125-C128 PolarHBondContact O-N 3.28Å; T125-C128 VanDerWaalsContact O-N 3.11Å; T125-M129 HydrophobicContact CG2-CG 4.15Å; T125-M129 HydrophobicContact CG2-SD 3.69Å; T125-M129 PolarHBondContact O-N 3.42Å |
| 126 | L | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.8 | -42.7 | 177 | -173.1 | 62.7 | 0 | 0 | 0 | 111.8 | I107 A122 C128 G130 M134 L138 V142 H163 | I107-L126 HydrophobicContact CG2-CD2 4.48Å; A122-L126 WeakPolarHBondContact O-CB 3.43Å; A122-L126 PolarHBondContact O-N 2.64Å; L126-C128 VanDerWaalsContact C-N 3.28Å; L126-C128 PolarHBondContact O-N 2.88Å; L126-G130 WeakPolarHBondContact O-CA 3.37Å; L126-G130 PolarHBondContact O-N 2.95Å; L126-G130 VanDerWaalsContact O-N 3.08Å; L126-M134 HydrophobicContact CD1-CB 4.12Å; L126-M134 HydrophobicContact CD1-CE 4.28Å; L126-L138 HydrophobicContact CD1-CD1 3.71Å; L126-L138 HydrophobicContact CD2-CB 3.84Å; L126-L138 HydrophobicContact CD2-CD1 3.88Å; L126-L138 HydrophobicContact CG-CD1 4.43Å; L126-V142 HydrophobicContact CD2-CG2 3.74Å; L126-H163 PolarHBondContact O-CD2 3.38Å |
| 127 | G | 94.9 | Very high | 94.6 | Very high | 22 Ų | 22 | 33.2 Ų | 33.2 | 23% | 0.227 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -78.4 | 2.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | L123 T125 | L123-G127 PolarHBondContact O-N 3.25Å; L123-G127 VanDerWaalsContact O-N 3.09Å; T125-G127 VanDerWaalsContact C-N 3.32Å; T125-G127 PolarHBondContact O-N 3.43Å |
| 128 | C | 93.9 | Very high | 94.6 | Very high | 83 Ų | 83 | 27.5 Ų | 27.5 | 56% | 0.561 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -117 | -36.9 | 175.3 | -75.1 | 0 | 0 | 0 | 0 | 113 | M90 C124 T125 L126 | M90-C128 HydrophobicContact SD-CB 4.03Å; C124-C128 WeakPolarHBondContact O-CB 3.4Å; C124-C128 PolarHBondContact O-N 3.04Å; C124-C128 VanDerWaalsContact O-N 3.15Å; C124-C128 PolarHBondContact O-SG 3.45Å; T125-C128 PolarHBondContact O-N 3.28Å; T125-C128 VanDerWaalsContact O-N 3.11Å; L126-C128 VanDerWaalsContact C-N 3.28Å; L126-C128 PolarHBondContact O-N 2.88Å |
| 129 | M | 91.6 | Very high | 94.5 | Very high | 28 Ų | 28 | 27.4 Ų | 27.4 | 14% | 0.138 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -142.8 | 12.7 | -172.9 | 61.4 | 79.2 | 61.2 | 0 | 0 | 114.7 | M90 L93 M103 T125 S131 | M90-M129 HydrophobicContact CG-CG 4Å; L93-M129 HydrophobicContact CB-CE 3.76Å; L93-M129 WeakPolarHBondContact O-CE 3.3Å; M103-M129 HydrophobicContact CE-CE 3.6Å; M103-M129 HydrophobicContact CE-SD 3.78Å; M103-M129 HydrophobicContact SD-CE 4.26Å; M103-M129 HydrophobicContact SD-SD 4.06Å; T125-M129 HydrophobicContact CG2-CG 4.15Å; T125-M129 HydrophobicContact CG2-SD 3.69Å; T125-M129 PolarHBondContact O-N 3.42Å; M129-S131 PolarHBondContact O-N 3.28Å |
| 130 | G | 90.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -57.9 | 128.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L126 H163 | L126-G130 WeakPolarHBondContact O-CA 3.37Å; L126-G130 PolarHBondContact O-N 2.95Å; L126-G130 VanDerWaalsContact O-N 3.08Å; G130-H163 PolarHBondContact O-NE2 2.87Å | ||
| 131 | S | 92.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | trans | -77.2 | 169.8 | 173.4 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | E95 M129 E133 M134 C135 | E95-S131 WeakPolarHBondContact OE1-CA 3.22Å; M129-S131 PolarHBondContact O-N 3.28Å; S131-E133 VanDerWaalsContact C-N 3.29Å; S131-E133 PolarHBondContact O-N 3.16Å; S131-M134 PolarHBondContact O-N 3.39Å; S131-M134 VanDerWaalsContact OG-CG 3.32Å; S131-M134 WeakPolarHBondContact OG-CG 3.45Å; S131-C135 WeakPolarHBondContact O-CB 3.22Å; S131-C135 PolarHBondContact O-N 3.17Å; S131-C135 PolarHBondContact O-SG 2.96Å | ||
| 132 | S | 92.4 | Very high | 94.4 | Very high | 42 Ų | 42 | 28 Ų | 28 | 29% | 0.294 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -52.3 | -46.5 | 178.2 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | C135 R136 | S132-C135 WeakPolarHBondContact O-CB 3.34Å; S132-C135 PolarHBondContact O-N 3.4Å; S132-R136 WeakPolarHBondContact O-CG 3.46Å; S132-R136 PolarHBondContact O-N 3Å |
| 133 | E | 90.8 | Very high | 94.3 | Very high | 100 Ų | 100 | 29.1 Ų | 29.1 | 47% | 0.467 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -72.6 | -39.7 | -176.1 | -49.1 | -40.1 | 111.1 | 0 | 0 | 111.6 | S131 C135 R136 D137 | S131-E133 VanDerWaalsContact C-N 3.29Å; S131-E133 PolarHBondContact O-N 3.16Å; E133-C135 VanDerWaalsContact C-N 3.26Å; E133-C135 PolarHBondContact O-N 3.26Å; E133-R136 WeakPolarHBondContact O-CB 3.24Å; E133-R136 PolarHBondContact O-N 2.95Å; E133-R136 VanDerWaalsContact O-N 3.14Å; E133-R136 IonicContact OE1-NE 2.71Å; E133-R136 WeakPolarHBondContact OE2-CD 3.48Å; E133-R136 IonicContact OE2-NE 3.89Å; E133-D137 PolarHBondContact O-N 2.97Å |
| 134 | M | 92.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.5 | -38.4 | 170.3 | -66.8 | 176.2 | 68.8 | 0 | 0 | 111.8 | H100 M103 T104 I107 L126 S131 L138 | H100-M134 HydrophobicContact CB-CG 4.37Å; M103-M134 HydrophobicContact CB-CE 4.26Å; M103-M134 HydrophobicContact CE-CE 3.66Å; M103-M134 HydrophobicContact CE-SD 3.54Å; M103-M134 VanDerWaalsContact CE-SD 3.54Å; M103-M134 HydrophobicContact CG-CE 3.73Å; M103-M134 HydrophobicContact SD-CE 4.27Å; T104-M134 WeakPolarHBondContact OG1-CG 3.32Å; I107-M134 HydrophobicContact CD1-CE 3.59Å; L126-M134 HydrophobicContact CD1-CB 4.12Å; L126-M134 HydrophobicContact CD1-CE 4.28Å; S131-M134 PolarHBondContact O-N 3.39Å; S131-M134 VanDerWaalsContact OG-CG 3.32Å; S131-M134 WeakPolarHBondContact OG-CG 3.45Å; M134-L138 VanDerWaalsContact O-CB 3.24Å; M134-L138 WeakPolarHBondContact O-CB 3.28Å; M134-L138 WeakPolarHBondContact O-CD1 3.41Å; M134-L138 VanDerWaalsContact O-CG 3.27Å; M134-L138 WeakPolarHBondContact O-CG 3.31Å; M134-L138 PolarHBondContact O-N 2.85Å |
| 135 | C | 94.5 | Very high | 94 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 175.3 | -74.1 | 0 | 0 | 0 | 0 | 111.4 | S131 S132 E133 A139 V164 K167 V168 | S131-C135 WeakPolarHBondContact O-CB 3.22Å; S131-C135 PolarHBondContact O-N 3.17Å; S131-C135 PolarHBondContact O-SG 2.96Å; S132-C135 WeakPolarHBondContact O-CB 3.34Å; S132-C135 PolarHBondContact O-N 3.4Å; E133-C135 VanDerWaalsContact C-N 3.26Å; E133-C135 PolarHBondContact O-N 3.26Å; C135-A139 VanDerWaalsContact O-CB 3.24Å; C135-A139 WeakPolarHBondContact O-CB 3.37Å; C135-A139 PolarHBondContact O-N 3.22Å; C135-V164 HydrophobicContact CB-CB 4.36Å; C135-V164 HydrophobicContact CB-CG1 4.25Å; C135-V164 HydrophobicContact CB-CG2 3.99Å; C135-K167 HydrophobicContact CB-CB 4.49Å; C135-V168 HydrophobicContact CB-CG2 4.19Å |
| 136 | R | 93.9 | Very high | 93.9 | Very high | 108 Ų | 108 | 32.4 Ų | 32.4 | 41% | 0.408 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.8 | -53.5 | 173.8 | -66.6 | 175.1 | -172.5 | -66.8 | -5.8 | 112.2 | S132 E133 L138 V168 E170 L171 | S132-R136 WeakPolarHBondContact O-CG 3.46Å; S132-R136 PolarHBondContact O-N 3Å; E133-R136 WeakPolarHBondContact O-CB 3.24Å; E133-R136 PolarHBondContact O-N 2.95Å; E133-R136 VanDerWaalsContact O-N 3.14Å; E133-R136 IonicContact OE1-NE 2.71Å; E133-R136 WeakPolarHBondContact OE2-CD 3.48Å; E133-R136 IonicContact OE2-NE 3.89Å; R136-L138 PolarHBondContact O-N 2.85Å; R136-V168 HydrophobicContact CG-CG1 4.37Å; R136-V168 HydrophobicContact CG-CG2 4.38Å; R136-E170 IonicContact CZ-OE1 2.66Å; R136-E170 IonicContact NH1-OE1 2.78Å; R136-E170 PolarHBondContact NH1-OE1 3.49Å; R136-E170 IonicContact NH2-OE1 3.69Å; R136-E170 PolarHBondContact NH2-OE1 2.79Å; R136-L171 HydrophobicContact CG-CD1 4.33Å |
| 137 | D | 94.4 | Very high | 93.7 | Very high | 81 Ų | 81 | 38.5 Ų | 38.5 | 43% | 0.433 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.7 | -24.6 | -174.8 | -76.7 | -24.8 | 0 | 0 | 0 | 114.7 | T104 K108 E133 | T104-D137 HydrophobicContact CG2-CB 3.55Å; T104-D137 WeakPolarHBondContact CG2-OD2 3.22Å; K108-D137 PolarHBondContact NZ-O 2.85Å; E133-D137 PolarHBondContact O-N 2.97Å |
| 138 | L | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -116.4 | -10.1 | -169.2 | -58.6 | 171.6 | 0 | 0 | 0 | 114 | T104 I107 K108 L111 L126 M134 R136 G140 E141 V142 | T104-L138 HydrophobicContact CG2-CD1 4.29Å; T104-L138 HydrophobicContact CG2-CD2 4.09Å; T104-L138 HydrophobicContact CG2-CG 4.1Å; I107-L138 HydrophobicContact CB-CD1 4.12Å; I107-L138 HydrophobicContact CG2-CD1 3.59Å; I107-L138 HydrophobicContact CG2-CD2 4.5Å; K108-L138 HydrophobicContact CB-CD2 3.71Å; K108-L138 HydrophobicContact CD-CD2 4.16Å; K108-L138 HydrophobicContact CG-CD2 4.05Å; L111-L138 HydrophobicContact CD1-CD2 4.38Å; L126-L138 HydrophobicContact CD1-CD1 3.71Å; L126-L138 HydrophobicContact CD2-CB 3.84Å; L126-L138 HydrophobicContact CD2-CD1 3.88Å; L126-L138 HydrophobicContact CG-CD1 4.43Å; M134-L138 VanDerWaalsContact O-CB 3.24Å; M134-L138 WeakPolarHBondContact O-CB 3.28Å; M134-L138 WeakPolarHBondContact O-CD1 3.41Å; M134-L138 VanDerWaalsContact O-CG 3.27Å; M134-L138 WeakPolarHBondContact O-CG 3.31Å; M134-L138 PolarHBondContact O-N 2.85Å; R136-L138 PolarHBondContact O-N 2.85Å; L138-G140 VanDerWaalsContact C-N 3.25Å; L138-G140 PolarHBondContact O-N 2.72Å; L138-E141 PolarHBondContact O-N 3.46Å; L138-V142 PolarHBondContact O-N 3.07Å |
| 139 | A | 95.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55 | -38.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C135 E141 V142 E143 V164 L171 M174 F175 | C135-A139 VanDerWaalsContact O-CB 3.24Å; C135-A139 WeakPolarHBondContact O-CB 3.37Å; C135-A139 PolarHBondContact O-N 3.22Å; A139-E141 PolarHBondContact O-N 3.46Å; A139-V142 PolarHBondContact O-N 2.65Å; A139-E143 WeakPolarHBondContact O-CB 3.39Å; A139-E143 PolarHBondContact O-N 3.07Å; A139-V164 HydrophobicContact CB-CG1 4Å; A139-L171 HydrophobicContact CB-CD1 4.06Å; A139-M174 HydrophobicContact CB-CE 4.03Å; A139-M174 HydrophobicContact CB-SD 3.53Å; A139-M174 VanDerWaalsContact CB-SD 3.53Å; A139-F175 HydrophobicContact CB-CZ 4.22Å |
| 140 | G | 95.1 | Very high | 93.5 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 42% | 0.423 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.4 | -33.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L138 K144 | L138-G140 VanDerWaalsContact C-N 3.25Å; L138-G140 PolarHBondContact O-N 2.72Å; G140-K144 VanDerWaalsContact O-CB 3.26Å; G140-K144 WeakPolarHBondContact O-CB 3.21Å; G140-K144 PolarHBondContact O-N 2.98Å; G140-K144 VanDerWaalsContact O-N 3.1Å |
| 141 | E | 95.4 | Very high | 93.7 | Very high | 32 Ų | 32 | 43 Ų | 43 | 15% | 0.15 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.7 | -34.2 | 173.6 | -59.5 | -68.2 | 164.8 | 0 | 0 | 111.1 | K108 L111 N112 L138 A139 K144 L145 | K108-E141 HydrophobicContact CG-CG 4.31Å; L111-E141 HydrophobicContact CD1-CB 3.88Å; N112-E141 PolarHBondContact ND2-OE2 2.78Å; L138-E141 PolarHBondContact O-N 3.46Å; A139-E141 PolarHBondContact O-N 3.46Å; E141-K144 IonicContact OE1-NZ 3.27Å; E141-K144 IonicContact OE2-NZ 3.57Å; E141-K144 PolarHBondContact OE2-NZ 2.81Å; E141-L145 WeakPolarHBondContact O-CB 3.43Å; E141-L145 VanDerWaalsContact O-CG 3.29Å; E141-L145 WeakPolarHBondContact O-CG 3.48Å; E141-L145 PolarHBondContact O-N 2.71Å |
| 142 | V | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | 173.9 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | L123 L126 L138 A139 L145 L146 C160 A161 F175 | L123-V142 HydrophobicContact CD2-CG2 4.29Å; L126-V142 HydrophobicContact CD2-CG2 3.74Å; L138-V142 PolarHBondContact O-N 3.07Å; A139-V142 PolarHBondContact O-N 2.65Å; V142-L145 CarbonylContact O-C 3.57Å; V142-L145 PolarHBondContact O-N 3.22Å; V142-L146 WeakPolarHBondContact O-CB 3.39Å; V142-L146 PolarHBondContact O-N 2.68Å; V142-C160 HydrophobicContact CG1-CB 4.03Å; V142-A161 HydrophobicContact CG1-CB 4.14Å; V142-F175 HydrophobicContact CB-CE1 4.38Å; V142-F175 HydrophobicContact CG1-CE1 4.09Å; V142-F175 HydrophobicContact CG1-CZ 4.48Å |
| 143 | E | 94.6 | Very high | 93.9 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.8 | -47.7 | 176.7 | -160.4 | -79 | 167.1 | 0 | 0 | 111.2 | A139 L145 L146 K147 M174 F175 | A139-E143 WeakPolarHBondContact O-CB 3.39Å; A139-E143 PolarHBondContact O-N 3.07Å; E143-L145 VanDerWaalsContact C-N 3.35Å; E143-L145 PolarHBondContact O-N 3.28Å; E143-L146 WeakPolarHBondContact O-CB 3.43Å; E143-L146 PolarHBondContact O-N 3.13Å; E143-L146 VanDerWaalsContact O-N 3.12Å; E143-K147 PolarHBondContact O-N 3.46Å; E143-K147 WeakPolarHBondContact OE1-CE 3.36Å; E143-K147 IonicContact OE1-NZ 3.88Å; E143-K147 PolarHBondContact OE1-NZ 3.23Å; E143-K147 WeakPolarHBondContact OE2-CE 3.44Å; E143-K147 IonicContact OE2-NZ 3.68Å; E143-K147 PolarHBondContact OE2-NZ 3.1Å; E143-M174 HydrophobicContact CB-CE 4.44Å; E143-M174 HydrophobicContact CG-CG 4.35Å; E143-M174 WeakPolarHBondContact CG-O 3.31Å; E143-F175 HydrophobicContact CB-CD1 4.13Å; E143-F175 HydrophobicContact CB-CE1 3.86Å; E143-F175 HydrophobicContact CG-CD1 4.03Å; E143-F175 HydrophobicContact CG-CE1 4.26Å |
| 144 | K | 94.3 | Very high | 94.1 | Very high | 99 Ų | 99 | 41 Ų | 41 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.7 | -41.6 | 171.9 | 170.6 | 179.7 | 155.4 | -158.8 | 0 | 112.7 | N112 G140 E141 K147 | N112-K144 PolarHBondContact OD1-NZ 3.2Å; G140-K144 VanDerWaalsContact O-CB 3.26Å; G140-K144 WeakPolarHBondContact O-CB 3.21Å; G140-K144 PolarHBondContact O-N 2.98Å; G140-K144 VanDerWaalsContact O-N 3.1Å; E141-K144 IonicContact OE1-NZ 3.27Å; E141-K144 IonicContact OE2-NZ 3.57Å; E141-K144 PolarHBondContact OE2-NZ 2.81Å; K144-K147 PolarHBondContact O-N 3.18Å |
| 145 | L | 94 | Very high | 94.2 | Very high | 13 Ų | 13 | 44.8 Ų | 44.8 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -75.7 | -22.2 | 175.8 | -74.2 | 171 | 0 | 0 | 0 | 113.6 | L111 L123 E141 V142 E143 K147 T148 A157 | L111-L145 HydrophobicContact CB-CD1 3.97Å; L111-L145 HydrophobicContact CD2-CD1 3.67Å; L111-L145 HydrophobicContact CG-CD1 4.3Å; L123-L145 HydrophobicContact CD1-CD1 4.28Å; L123-L145 HydrophobicContact CD2-CD1 4.15Å; L123-L145 HydrophobicContact CG-CD1 4.34Å; E141-L145 WeakPolarHBondContact O-CB 3.43Å; E141-L145 VanDerWaalsContact O-CG 3.29Å; E141-L145 WeakPolarHBondContact O-CG 3.48Å; E141-L145 PolarHBondContact O-N 2.71Å; V142-L145 CarbonylContact O-C 3.57Å; V142-L145 PolarHBondContact O-N 3.22Å; E143-L145 VanDerWaalsContact C-N 3.35Å; E143-L145 PolarHBondContact O-N 3.28Å; L145-K147 VanDerWaalsContact C-N 3.29Å; L145-T148 WeakPolarHBondContact O-CG2 3.49Å; L145-T148 PolarHBondContact O-N 2.99Å; L145-A157 HydrophobicContact CB-CB 4.23Å |
| 146 | L | 93.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.7 | -27.6 | 172.5 | -172.4 | 57.5 | 0 | 0 | 0 | 111.9 | V142 E143 A157 A158 F175 A178 L182 L197 | V142-L146 WeakPolarHBondContact O-CB 3.39Å; V142-L146 PolarHBondContact O-N 2.68Å; E143-L146 WeakPolarHBondContact O-CB 3.43Å; E143-L146 PolarHBondContact O-N 3.13Å; E143-L146 VanDerWaalsContact O-N 3.12Å; L146-A157 HydrophobicContact CB-CB 4.12Å; L146-A157 HydrophobicContact CD1-CB 4.19Å; L146-A158 HydrophobicContact CD1-CB 3.85Å; L146-F175 HydrophobicContact CD2-CD1 4.22Å; L146-A178 HydrophobicContact CD2-CB 3.8Å; L146-A178 HydrophobicContact CG-CB 4.1Å; L146-L182 HydrophobicContact CD1-CD1 3.83Å; L146-L182 HydrophobicContact CD1-CD2 4.45Å; L146-L182 HydrophobicContact CD2-CD1 4.32Å; L146-L182 HydrophobicContact CG-CD1 4.16Å; L146-L197 HydrophobicContact CD2-CD2 3.96Å |
| 147 | K | 91.8 | Very high | 94.4 | Very high | 129 Ų | 129 | 41.8 Ų | 41.8 | 56% | 0.561 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -7.1 | 175 | -70.7 | 168.6 | 174.4 | 156.7 | 0 | 115.1 | E143 K144 L145 | E143-K147 PolarHBondContact O-N 3.46Å; E143-K147 WeakPolarHBondContact OE1-CE 3.36Å; E143-K147 IonicContact OE1-NZ 3.88Å; E143-K147 PolarHBondContact OE1-NZ 3.23Å; E143-K147 WeakPolarHBondContact OE2-CE 3.44Å; E143-K147 IonicContact OE2-NZ 3.68Å; E143-K147 PolarHBondContact OE2-NZ 3.1Å; K144-K147 PolarHBondContact O-N 3.18Å; L145-K147 VanDerWaalsContact C-N 3.29Å |
| 148 | T | 92.4 | Very high | 94.5 | Very high | 41 Ų | 41 | 38 Ų | 38 | 25% | 0.252 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -67 | 149.7 | -178.4 | -166.1 | 0 | 0 | 0 | 0 | 112.3 | L145 N150 L153 R154 | L145-T148 WeakPolarHBondContact O-CG2 3.49Å; L145-T148 PolarHBondContact O-N 2.99Å; T148-N150 VanDerWaalsContact C-N 3.26Å; T148-N150 HydrophobicContact CG2-CB 4.16Å; T148-N150 PolarHBondContact O-N 2.74Å; T148-L153 HydrophobicContact CG2-CB 3.76Å; T148-L153 HydrophobicContact CG2-CD1 4.3Å; T148-R154 HydrophobicContact CG2-CG 3.92Å; T148-R154 WeakPolarHBondContact O-CD 3.41Å; T148-R154 WeakPolarHBondContact O-CG 3.15Å; T148-R154 PolarHBondContact O-NE 3.32Å |
| 149 | S | 89.4 | Confident | 94.5 | Very high | 104 Ų | 104 | 41.7 Ų | 41.7 | 73% | 0.727 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -69.2 | -24.4 | 174.6 | 56 | 0 | 0 | 0 | 0 | 113 | S151 R154 | S149-S151 PolarHBondContact O-N 3.32Å; S149-S151 VanDerWaalsContact O-N 3.17Å; S149-R154 PolarHBondContact O-NE 3.06Å; S149-R154 PolarHBondContact O-NH2 2.81Å |
| 150 | N | 94.1 | Very high | 94.6 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 26% | 0.262 | 22% | 0.219 | S | C | . | . | trans | -69.6 | 109 | -174.8 | -176.9 | -10.4 | 0 | 0 | 0 | 113.1 | Q116 T148 Y152 L153 R154 | Q116-N150 PolarHBondContact OE1-ND2 3.46Å; T148-N150 VanDerWaalsContact C-N 3.26Å; T148-N150 HydrophobicContact CG2-CB 4.16Å; T148-N150 PolarHBondContact O-N 2.74Å; N150-Y152 VanDerWaalsContact C-N 3.26Å; N150-Y152 PolarHBondContact O-N 3.49Å; N150-Y152 WeakPolarHBondContact OD1-CB 3.38Å; N150-Y152 PolarHBondContact OD1-N 2.99Å; N150-L153 HydrophobicContact CB-CB 4.38Å; N150-L153 HydrophobicContact CB-CD1 4.18Å; N150-L153 HydrophobicContact CB-CG 4.33Å; N150-L153 PolarHBondContact O-N 3.27Å; N150-L153 VanDerWaalsContact O-N 3.07Å; N150-R154 PolarHBondContact O-N 2.68Å | ||
| 151 | S | 93.7 | Very high | 94.7 | Very high | 32 Ų | 32 | 39.8 Ų | 39.8 | 22% | 0.224 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -23.2 | -180 | -45.3 | 0 | 0 | 0 | 0 | 114.3 | S149 R154 K155 E185 V190 | S149-S151 PolarHBondContact O-N 3.32Å; S149-S151 VanDerWaalsContact O-N 3.17Å; S151-R154 PolarHBondContact OG-NH2 2.94Å; S151-K155 WeakPolarHBondContact O-CG 3.48Å; S151-K155 PolarHBondContact O-N 2.98Å; S151-E185 PolarHBondContact OG-OE1 3.39Å; S151-E185 VanDerWaalsContact OG-OE1 3.1Å; S151-V190 WeakPolarHBondContact O-CG2 3.27Å |
| 152 | Y | 95 | Very high | 94.7 | Very high | 73 Ų | 73 | 38.3 Ų | 38.3 | 29% | 0.286 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.8 | -37.9 | 172.4 | 174.8 | -93.5 | 0 | 0 | 0 | 111.9 | Q116 Y117 N150 K156 | Q116-Y152 HydrophobicContact CB-CD1 4.42Å; Y117-Y152 HydrophobicContact CD1-CE1 4.12Å; Y117-Y152 AromaticContact CD1-CZ 3.92Å; Y117-Y152 HydrophobicContact CE1-CE2 4.46Å; N150-Y152 VanDerWaalsContact C-N 3.26Å; N150-Y152 PolarHBondContact O-N 3.49Å; N150-Y152 WeakPolarHBondContact OD1-CB 3.38Å; N150-Y152 PolarHBondContact OD1-N 2.99Å; Y152-K156 HydrophobicContact CE1-CD 4.23Å |
| 153 | L | 95.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -80.2 | -46.5 | 177.6 | -64.8 | 176.8 | 0 | 0 | 0 | 111.2 | Q116 Q119 L123 T148 N150 K155 K156 A157 | Q116-L153 HydrophobicContact CB-CD1 4.35Å; Q116-L153 HydrophobicContact CB-CD2 4.21Å; Q116-L153 HydrophobicContact CB-CG 4.34Å; Q116-L153 WeakPolarHBondContact O-CD2 3.35Å; Q119-L153 HydrophobicContact CB-CD2 3.82Å; L123-L153 HydrophobicContact CD1-CD2 4.46Å; T148-L153 HydrophobicContact CG2-CB 3.76Å; T148-L153 HydrophobicContact CG2-CD1 4.3Å; N150-L153 HydrophobicContact CB-CB 4.38Å; N150-L153 HydrophobicContact CB-CD1 4.18Å; N150-L153 HydrophobicContact CB-CG 4.33Å; N150-L153 PolarHBondContact O-N 3.27Å; N150-L153 VanDerWaalsContact O-N 3.07Å; L153-K155 VanDerWaalsContact C-N 3.32Å; L153-K155 PolarHBondContact O-N 3.19Å; L153-K156 CarbonylContact O-C 3.58Å; L153-K156 WeakPolarHBondContact O-CA 3.5Å; L153-K156 WeakPolarHBondContact O-CB 3.43Å; L153-K156 PolarHBondContact O-N 3.07Å; L153-A157 PolarHBondContact O-N 3.4Å |
| 154 | R | 93.9 | Very high | 94.8 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 11% | 0.106 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -52.2 | -45.8 | -179.2 | -79.7 | -167 | -86 | 159.4 | 1 | 113.2 | T148 S149 N150 S151 K156 A157 A158 E185 V190 | T148-R154 HydrophobicContact CG2-CG 3.92Å; T148-R154 WeakPolarHBondContact O-CD 3.41Å; T148-R154 WeakPolarHBondContact O-CG 3.15Å; T148-R154 PolarHBondContact O-NE 3.32Å; S149-R154 PolarHBondContact O-NE 3.06Å; S149-R154 PolarHBondContact O-NH2 2.81Å; N150-R154 PolarHBondContact O-N 2.68Å; S151-R154 PolarHBondContact OG-NH2 2.94Å; R154-K156 VanDerWaalsContact C-N 3.26Å; R154-K156 PolarHBondContact O-N 3.42Å; R154-A157 PolarHBondContact O-N 2.68Å; R154-A158 WeakPolarHBondContact O-CB 3.29Å; R154-A158 PolarHBondContact O-N 3.14Å; R154-E185 VanDerWaalsContact CZ-CD 3.49Å; R154-E185 IonicContact CZ-OE1 3.97Å; R154-E185 IonicContact CZ-OE2 2.75Å; R154-E185 VanDerWaalsContact CZ-OE2 3.27Å; R154-E185 IonicContact NH1-OE1 3.78Å; R154-E185 IonicContact NH1-OE2 2.65Å; R154-E185 PolarHBondContact NH1-OE2 3.18Å; R154-E185 IonicContact NH2-OE1 2.75Å; R154-E185 PolarHBondContact NH2-OE1 3.44Å; R154-E185 IonicContact NH2-OE2 3.89Å; R154-E185 PolarHBondContact NH2-OE2 3.26Å; R154-V190 HydrophobicContact CB-CG1 4.06Å; R154-V190 HydrophobicContact CB-CG2 4.17Å |
| 155 | K | 94.9 | Very high | 94.9 | Very high | 79 Ų | 79 | 33.8 Ų | 33.8 | 34% | 0.343 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.7 | -27.4 | 179.2 | 71.9 | -172.3 | -177.5 | -178.2 | 0 | 114 | S151 L153 V190 T193 | S151-K155 WeakPolarHBondContact O-CG 3.48Å; S151-K155 PolarHBondContact O-N 2.98Å; L153-K155 VanDerWaalsContact C-N 3.32Å; L153-K155 PolarHBondContact O-N 3.19Å; K155-V190 HydrophobicContact CB-CG2 4.21Å; K155-T193 WeakPolarHBondContact CA-OG1 3.26Å; K155-T193 HydrophobicContact CB-CG2 4.07Å |
| 156 | K | 96.7 | Very high | 94.9 | Very high | 46 Ų | 46 | 39.3 Ų | 39.3 | 20% | 0.2 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -79.9 | -42.8 | 172.8 | -75.7 | 175.7 | 159.5 | -77 | 0 | 111.5 | G120 L123 Y152 L153 R154 A158 L159 C160 | G120-K156 VanDerWaalsContact O-CE 3.29Å; G120-K156 WeakPolarHBondContact O-CE 3.3Å; G120-K156 PolarHBondContact O-NZ 2.83Å; L123-K156 HydrophobicContact CB-CB 4.06Å; L123-K156 HydrophobicContact CD1-CB 3.86Å; Y152-K156 HydrophobicContact CE1-CD 4.23Å; L153-K156 CarbonylContact O-C 3.58Å; L153-K156 WeakPolarHBondContact O-CA 3.5Å; L153-K156 WeakPolarHBondContact O-CB 3.43Å; L153-K156 PolarHBondContact O-N 3.07Å; R154-K156 VanDerWaalsContact C-N 3.26Å; R154-K156 PolarHBondContact O-N 3.42Å; K156-A158 VanDerWaalsContact C-N 3.34Å; K156-A158 PolarHBondContact O-N 3.31Å; K156-L159 PolarHBondContact O-N 2.95Å; K156-C160 VanDerWaalsContact O-CB 3.27Å; K156-C160 WeakPolarHBondContact O-CB 3.15Å; K156-C160 PolarHBondContact O-N 3.3Å |
| 157 | A | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L123 L145 L146 L153 R154 C160 A161 | L123-A157 HydrophobicContact CD1-CB 4.31Å; L145-A157 HydrophobicContact CB-CB 4.23Å; L146-A157 HydrophobicContact CB-CB 4.12Å; L146-A157 HydrophobicContact CD1-CB 4.19Å; L153-A157 PolarHBondContact O-N 3.4Å; R154-A157 PolarHBondContact O-N 2.68Å; A157-C160 PolarHBondContact O-N 3.29Å; A157-A161 WeakPolarHBondContact O-CB 3.49Å; A157-A161 PolarHBondContact O-N 3.43Å |
| 158 | A | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -46.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L146 R154 K156 C160 A161 V162 | L146-A158 HydrophobicContact CD1-CB 3.85Å; R154-A158 WeakPolarHBondContact O-CB 3.29Å; R154-A158 PolarHBondContact O-N 3.14Å; K156-A158 VanDerWaalsContact C-N 3.34Å; K156-A158 PolarHBondContact O-N 3.31Å; A158-C160 VanDerWaalsContact C-N 3.35Å; A158-A161 PolarHBondContact O-N 3.2Å; A158-V162 WeakPolarHBondContact O-CG2 3.44Å; A158-V162 PolarHBondContact O-N 3.49Å |
| 159 | L | 97.1 | Very high | 95.1 | Very high | 79 Ų | 79 | 37.4 Ų | 37.4 | 41% | 0.414 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -70.4 | -30.9 | 174.9 | -65.3 | -179.6 | 0 | 0 | 0 | 112.7 | K156 V162 H163 T193 V196 | K156-L159 PolarHBondContact O-N 2.95Å; L159-V162 WeakPolarHBondContact O-CB 3.47Å; L159-V162 PolarHBondContact O-N 2.97Å; L159-H163 PolarHBondContact O-N 2.92Å; L159-T193 HydrophobicContact CD1-CG2 3.75Å; L159-T193 HydrophobicContact CD2-CG2 3.95Å; L159-T193 HydrophobicContact CG-CG2 3.63Å; L159-V196 HydrophobicContact CD2-CB 4.4Å; L159-V196 HydrophobicContact CD2-CG1 4.03Å |
| 160 | C | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.5 | -37.7 | 172.8 | -165.4 | 0 | 0 | 0 | 0 | 111.6 | L123 V142 K156 A157 A158 H163 V164 | L123-C160 HydrophobicContact CD2-CB 4.08Å; V142-C160 HydrophobicContact CG1-CB 4.03Å; K156-C160 VanDerWaalsContact O-CB 3.27Å; K156-C160 WeakPolarHBondContact O-CB 3.15Å; K156-C160 PolarHBondContact O-N 3.3Å; A157-C160 PolarHBondContact O-N 3.29Å; A158-C160 VanDerWaalsContact C-N 3.35Å; C160-H163 PolarHBondContact O-N 2.75Å; C160-V164 WeakPolarHBondContact O-CG2 3.49Å; C160-V164 PolarHBondContact O-N 3.41Å |
| 161 | A | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.8 | -38.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V142 A157 A158 H163 V164 I165 F175 L197 | V142-A161 HydrophobicContact CG1-CB 4.14Å; A157-A161 WeakPolarHBondContact O-CB 3.49Å; A157-A161 PolarHBondContact O-N 3.43Å; A158-A161 PolarHBondContact O-N 3.2Å; A161-H163 VanDerWaalsContact C-N 3.33Å; A161-H163 PolarHBondContact O-N 3.11Å; A161-V164 PolarHBondContact O-N 3.18Å; A161-I165 WeakPolarHBondContact O-CB 3.12Å; A161-I165 VanDerWaalsContact O-CG1 3.27Å; A161-I165 WeakPolarHBondContact O-CG1 3.21Å; A161-I165 PolarHBondContact O-N 3.26Å; A161-F175 HydrophobicContact CB-CD1 3.78Å; A161-F175 HydrophobicContact CB-CD2 4.43Å; A161-F175 HydrophobicContact CB-CE1 3.69Å; A161-F175 HydrophobicContact CB-CE2 4.35Å; A161-F175 HydrophobicContact CB-CG 4.16Å; A161-F175 HydrophobicContact CB-CZ 3.99Å; A161-L197 HydrophobicContact CB-CD1 4.06Å; A161-L197 HydrophobicContact CB-CD2 4.42Å |
| 162 | V | 96.8 | Very high | 95 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 170.3 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | A158 L159 I165 R166 V196 L197 E200 | A158-V162 WeakPolarHBondContact O-CG2 3.44Å; A158-V162 PolarHBondContact O-N 3.49Å; L159-V162 WeakPolarHBondContact O-CB 3.47Å; L159-V162 PolarHBondContact O-N 2.97Å; V162-I165 PolarHBondContact O-N 2.84Å; V162-R166 WeakPolarHBondContact O-CB 3.35Å; V162-R166 VanDerWaalsContact O-CG 3.28Å; V162-R166 WeakPolarHBondContact O-CG 3.31Å; V162-R166 PolarHBondContact O-N 3.15Å; V162-V196 HydrophobicContact CG2-CG1 4.35Å; V162-L197 VanDerWaalsContact CG2-CA 3.47Å; V162-L197 HydrophobicContact CG2-CB 3.89Å; V162-L197 HydrophobicContact CG2-CD1 3.76Å; V162-L197 HydrophobicContact CG2-CG 4.44Å; V162-E200 HydrophobicContact CG1-CB 4.31Å; V162-E200 HydrophobicContact CG1-CG 4.24Å; V162-E200 HydrophobicContact CG2-CB 4.44Å |
| 163 | H | 96.2 | Very high | 94.7 | Very high | 27 Ų | 27 | 40.6 Ų | 40.6 | 13% | 0.125 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.9 | -43.3 | 176.1 | -173.5 | 83 | 0 | 0 | 0 | 112.3 | L126 G130 L159 C160 A161 I165 R166 K167 | L126-H163 PolarHBondContact O-CD2 3.38Å; G130-H163 PolarHBondContact O-NE2 2.87Å; L159-H163 PolarHBondContact O-N 2.92Å; C160-H163 PolarHBondContact O-N 2.75Å; A161-H163 VanDerWaalsContact C-N 3.33Å; A161-H163 PolarHBondContact O-N 3.11Å; H163-I165 PolarHBondContact O-N 2.89Å; H163-R166 PolarHBondContact O-N 3.47Å; H163-K167 PolarHBondContact O-N 2.94Å |
| 164 | V | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.8 | -48.4 | 173.6 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | C135 A139 C160 A161 R166 K167 V168 L171 F175 | C135-V164 HydrophobicContact CB-CB 4.36Å; C135-V164 HydrophobicContact CB-CG1 4.25Å; C135-V164 HydrophobicContact CB-CG2 3.99Å; A139-V164 HydrophobicContact CB-CG1 4Å; C160-V164 WeakPolarHBondContact O-CG2 3.49Å; C160-V164 PolarHBondContact O-N 3.41Å; A161-V164 PolarHBondContact O-N 3.18Å; V164-R166 VanDerWaalsContact C-N 3.35Å; V164-R166 PolarHBondContact O-N 3.2Å; V164-K167 PolarHBondContact O-N 2.83Å; V164-V168 PolarHBondContact O-N 2.82Å; V164-L171 HydrophobicContact CG1-CB 4.29Å; V164-L171 HydrophobicContact CG1-CD1 4.08Å; V164-F175 HydrophobicContact CG1-CE2 3.96Å; V164-F175 HydrophobicContact CG1-CZ 4.14Å |
| 165 | I | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65 | -36.2 | 178.7 | -68.2 | 168.4 | 0 | 0 | 0 | 111.8 | A161 V162 H163 V168 P169 M172 F175 L197 E200 M201 R204 | A161-I165 WeakPolarHBondContact O-CB 3.12Å; A161-I165 VanDerWaalsContact O-CG1 3.27Å; A161-I165 WeakPolarHBondContact O-CG1 3.21Å; A161-I165 PolarHBondContact O-N 3.26Å; V162-I165 PolarHBondContact O-N 2.84Å; H163-I165 PolarHBondContact O-N 2.89Å; I165-V168 CarbonylContact O-C 3.57Å; I165-P169 VanDerWaalsContact O-CA 3.26Å; I165-P169 WeakPolarHBondContact O-CA 3.3Å; I165-M172 HydrophobicContact CD1-CB 3.96Å; I165-M172 HydrophobicContact CG1-CB 3.87Å; I165-M172 HydrophobicContact CG2-CB 4.13Å; I165-F175 HydrophobicContact CD1-CD2 3.98Å; I165-F175 HydrophobicContact CG1-CD2 4.14Å; I165-F175 HydrophobicContact CG1-CE2 4.34Å; I165-L197 HydrophobicContact CD1-CD1 3.76Å; I165-E200 HydrophobicContact CG2-CG 4.01Å; I165-M201 HydrophobicContact CD1-CE 4.47Å; I165-M201 HydrophobicContact CD1-CG 3.94Å; I165-R204 HydrophobicContact CG2-CG 4.19Å |
| 166 | R | 95.3 | Very high | 94.2 | Very high | 129 Ų | 129 | 40.3 Ų | 40.3 | 49% | 0.487 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66 | -36.6 | 174.9 | -78.2 | 173.8 | -179.6 | 159.8 | 9.4 | 113.3 | V162 H163 V164 E200 | V162-R166 WeakPolarHBondContact O-CB 3.35Å; V162-R166 VanDerWaalsContact O-CG 3.28Å; V162-R166 WeakPolarHBondContact O-CG 3.31Å; V162-R166 PolarHBondContact O-N 3.15Å; H163-R166 PolarHBondContact O-N 3.47Å; V164-R166 VanDerWaalsContact C-N 3.35Å; V164-R166 PolarHBondContact O-N 3.2Å; R166-E200 HydrophobicContact CG-CG 4.35Å; R166-E200 VanDerWaalsContact CG-OE1 3.23Å; R166-E200 WeakPolarHBondContact CG-OE1 3.24Å; R166-E200 IonicContact CZ-OE2 3.43Å; R166-E200 IonicContact NE-OE1 3.23Å; R166-E200 IonicContact NE-OE2 3.93Å; R166-E200 PolarHBondContact NE-OE2 3.37Å; R166-E200 IonicContact NH2-OE2 3.29Å; R166-E200 PolarHBondContact NH2-OE2 3.01Å |
| 167 | K | 93.9 | Very high | 93.7 | Very high | 73 Ų | 73 | 41.9 Ų | 41.9 | 32% | 0.317 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -82.7 | -36.4 | 179.6 | -76.4 | -72.1 | -177.9 | 178.8 | 0 | 112.9 | E95 C135 H163 V164 | E95-K167 WeakPolarHBondContact OE1-CE 3.31Å; E95-K167 IonicContact OE1-NZ 3.13Å; E95-K167 PolarHBondContact OE1-NZ 3.08Å; E95-K167 IonicContact OE2-NZ 2.7Å; E95-K167 PolarHBondContact OE2-NZ 3.25Å; C135-K167 HydrophobicContact CB-CB 4.49Å; H163-K167 PolarHBondContact O-N 2.94Å; V164-K167 PolarHBondContact O-N 2.83Å |
| 168 | V | 95.1 | Very high | 93.2 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | trans | -142.2 | 82 | -172.7 | -175 | 0 | 0 | 0 | 0 | 108.8 | C135 R136 V164 I165 E170 L171 | C135-V168 HydrophobicContact CB-CG2 4.19Å; R136-V168 HydrophobicContact CG-CG1 4.37Å; R136-V168 HydrophobicContact CG-CG2 4.38Å; V164-V168 PolarHBondContact O-N 2.82Å; I165-V168 CarbonylContact O-C 3.57Å; V168-E170 VanDerWaalsContact C-N 3.31Å; V168-E170 HydrophobicContact CG1-CG 3.7Å; V168-E170 WeakPolarHBondContact CG1-OE1 3.34Å; V168-E170 PolarHBondContact O-N 3.48Å; V168-L171 HydrophobicContact CB-CD1 3.98Å; V168-L171 HydrophobicContact CG1-CB 4.47Å; V168-L171 HydrophobicContact CG1-CD1 3.58Å; V168-L171 HydrophobicContact CG1-CG 3.83Å; V168-L171 PolarHBondContact O-N 3.1Å | ||
| 169 | P | 92.6 | Very high | 92.5 | Very high | 55 Ų | 55 | 42.2 Ų | 42.2 | 36% | 0.357 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -60.3 | -34.5 | -171 | -27 | 35.9 | 0 | 0 | 0 | 114.9 | I165 L171 M172 | I165-P169 VanDerWaalsContact O-CA 3.26Å; I165-P169 WeakPolarHBondContact O-CA 3.3Å; P169-L171 PolarHBondContact O-N 3.35Å; P169-L171 VanDerWaalsContact O-N 3.1Å; P169-M172 VanDerWaalsContact O-CB 3.27Å; P169-M172 WeakPolarHBondContact O-CB 3.21Å; P169-M172 WeakPolarHBondContact O-CG 3.36Å; P169-M172 PolarHBondContact O-N 3.24Å |
| 170 | E | 92 | Very high | 91.4 | Very high | 129 Ų | 129 | 43.8 Ų | 43.8 | 60% | 0.603 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -56.5 | -24.7 | 178.6 | 64.1 | -164.9 | 154.6 | 0 | 0 | 114.2 | R136 V168 M172 | R136-E170 IonicContact CZ-OE1 2.66Å; R136-E170 IonicContact NH1-OE1 2.78Å; R136-E170 PolarHBondContact NH1-OE1 3.49Å; R136-E170 IonicContact NH2-OE1 3.69Å; R136-E170 PolarHBondContact NH2-OE1 2.79Å; V168-E170 VanDerWaalsContact C-N 3.31Å; V168-E170 HydrophobicContact CG1-CG 3.7Å; V168-E170 WeakPolarHBondContact CG1-OE1 3.34Å; V168-E170 PolarHBondContact O-N 3.48Å; E170-M172 PolarHBondContact O-N 2.83Å |
| 171 | L | 92.1 | Very high | 90.4 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -76.7 | -3.5 | 177 | -72.2 | 169.4 | 0 | 0 | 0 | 113.6 | R136 A139 V164 V168 P169 E173 M174 F175 | R136-L171 HydrophobicContact CG-CD1 4.33Å; A139-L171 HydrophobicContact CB-CD1 4.06Å; V164-L171 HydrophobicContact CG1-CB 4.29Å; V164-L171 HydrophobicContact CG1-CD1 4.08Å; V168-L171 HydrophobicContact CB-CD1 3.98Å; V168-L171 HydrophobicContact CG1-CB 4.47Å; V168-L171 HydrophobicContact CG1-CD1 3.58Å; V168-L171 HydrophobicContact CG1-CG 3.83Å; V168-L171 PolarHBondContact O-N 3.1Å; P169-L171 PolarHBondContact O-N 3.35Å; P169-L171 VanDerWaalsContact O-N 3.1Å; L171-E173 VanDerWaalsContact C-N 3.3Å; L171-E173 PolarHBondContact O-N 3.44Å; L171-M174 HydrophobicContact CB-SD 4.25Å; L171-M174 HydrophobicContact CD2-SD 4.01Å; L171-M174 VanDerWaalsContact O-CG 3.24Å; L171-M174 WeakPolarHBondContact O-CG 3.33Å; L171-M174 PolarHBondContact O-N 3.05Å; L171-F175 WeakPolarHBondContact O-CD2 3.49Å |
| 172 | M | 91 | Very high | 89.7 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.044 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -61.1 | -33.5 | -174.6 | 68.4 | -171.2 | -59.3 | 0 | 0 | 114.3 | I165 P169 E170 M174 F175 M201 R204 S205 M208 | I165-M172 HydrophobicContact CD1-CB 3.96Å; I165-M172 HydrophobicContact CG1-CB 3.87Å; I165-M172 HydrophobicContact CG2-CB 4.13Å; P169-M172 VanDerWaalsContact O-CB 3.27Å; P169-M172 WeakPolarHBondContact O-CB 3.21Å; P169-M172 WeakPolarHBondContact O-CG 3.36Å; P169-M172 PolarHBondContact O-N 3.24Å; E170-M172 PolarHBondContact O-N 2.83Å; M172-M174 PolarHBondContact O-N 3.43Å; M172-F175 PolarHBondContact O-N 2.89Å; M172-F175 VanDerWaalsContact O-N 3.15Å; M172-M201 HydrophobicContact CB-CE 4.5Å; M172-M201 HydrophobicContact CE-CB 4.06Å; M172-M201 HydrophobicContact CE-CG 4.33Å; M172-M201 WeakPolarHBondContact CE-O 3.39Å; M172-M201 WeakPolarHBondContact O-CE 3.09Å; M172-R204 HydrophobicContact CE-CB 3.87Å; M172-R204 HydrophobicContact SD-CB 4.12Å; M172-S205 PolarHBondContact SD-OG 3.36Å; M172-M208 HydrophobicContact CE-CG 3.78Å |
| 173 | E | 89.2 | Confident | 89 | Confident | 149 Ų | 149 | 49.9 Ų | 49.9 | 70% | 0.696 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -61.8 | -33 | -177.4 | -63.4 | -168.8 | 172.4 | 0 | 0 | 112.5 | L171 F175 L176 | L171-E173 VanDerWaalsContact C-N 3.3Å; L171-E173 PolarHBondContact O-N 3.44Å; E173-F175 PolarHBondContact O-N 3.05Å; E173-F175 VanDerWaalsContact O-N 3.15Å; E173-L176 WeakPolarHBondContact O-CB 3.43Å; E173-L176 PolarHBondContact O-N 3.1Å; E173-L176 VanDerWaalsContact O-N 3.14Å |
| 174 | M | 92 | Very high | 88.4 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 32% | 0.315 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -63.8 | -23.5 | -179.5 | 87.5 | -167.8 | -63.5 | 0 | 0 | 112.9 | A139 E143 L171 M172 P177 | A139-M174 HydrophobicContact CB-CE 4.03Å; A139-M174 HydrophobicContact CB-SD 3.53Å; A139-M174 VanDerWaalsContact CB-SD 3.53Å; E143-M174 HydrophobicContact CB-CE 4.44Å; E143-M174 HydrophobicContact CG-CG 4.35Å; E143-M174 WeakPolarHBondContact CG-O 3.31Å; L171-M174 HydrophobicContact CB-SD 4.25Å; L171-M174 HydrophobicContact CD2-SD 4.01Å; L171-M174 VanDerWaalsContact O-CG 3.24Å; L171-M174 WeakPolarHBondContact O-CG 3.33Å; L171-M174 PolarHBondContact O-N 3.05Å; M172-M174 PolarHBondContact O-N 3.43Å; M174-P177 WeakPolarHBondContact O-CD 3.38Å |
| 175 | F | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -89.3 | -15.6 | -179.8 | -60.6 | -74 | 0 | 0 | 0 | 113.2 | A139 V142 E143 L146 A161 V164 I165 L171 M172 E173 P177 A178 T179 M201 | A139-F175 HydrophobicContact CB-CZ 4.22Å; V142-F175 HydrophobicContact CB-CE1 4.38Å; V142-F175 HydrophobicContact CG1-CE1 4.09Å; V142-F175 HydrophobicContact CG1-CZ 4.48Å; E143-F175 HydrophobicContact CB-CD1 4.13Å; E143-F175 HydrophobicContact CB-CE1 3.86Å; E143-F175 HydrophobicContact CG-CD1 4.03Å; E143-F175 HydrophobicContact CG-CE1 4.26Å; L146-F175 HydrophobicContact CD2-CD1 4.22Å; A161-F175 HydrophobicContact CB-CD1 3.78Å; A161-F175 HydrophobicContact CB-CD2 4.43Å; A161-F175 HydrophobicContact CB-CE1 3.69Å; A161-F175 HydrophobicContact CB-CE2 4.35Å; A161-F175 HydrophobicContact CB-CG 4.16Å; A161-F175 HydrophobicContact CB-CZ 3.99Å; V164-F175 HydrophobicContact CG1-CE2 3.96Å; V164-F175 HydrophobicContact CG1-CZ 4.14Å; I165-F175 HydrophobicContact CD1-CD2 3.98Å; I165-F175 HydrophobicContact CG1-CD2 4.14Å; I165-F175 HydrophobicContact CG1-CE2 4.34Å; L171-F175 WeakPolarHBondContact O-CD2 3.49Å; M172-F175 PolarHBondContact O-N 2.89Å; M172-F175 VanDerWaalsContact O-N 3.15Å; E173-F175 PolarHBondContact O-N 3.05Å; E173-F175 VanDerWaalsContact O-N 3.15Å; F175-P177 VanDerWaalsContact C-CD 3.47Å; F175-A178 WeakPolarHBondContact O-CB 3.15Å; F175-A178 PolarHBondContact O-N 3.28Å; F175-T179 PolarHBondContact O-N 2.98Å; F175-M201 HydrophobicContact CB-CE 4.07Å |
| 176 | L | 88.6 | Confident | 87.4 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.7 | -39.2 | 179.8 | 171.7 | 60 | 0 | 0 | 0 | 114.3 | E173 A178 T179 M201 M208 F212 | E173-L176 WeakPolarHBondContact O-CB 3.43Å; E173-L176 PolarHBondContact O-N 3.1Å; E173-L176 VanDerWaalsContact O-N 3.14Å; L176-A178 VanDerWaalsContact C-N 3.28Å; L176-A178 PolarHBondContact O-N 2.8Å; L176-T179 PolarHBondContact O-OG1 2.98Å; L176-M201 HydrophobicContact CB-CE 4.42Å; L176-M208 HydrophobicContact CB-CE 4.17Å; L176-M208 HydrophobicContact CD1-CE 3.77Å; L176-M208 HydrophobicContact CD2-CE 4.29Å; L176-M208 HydrophobicContact CD2-SD 4.35Å; L176-M208 HydrophobicContact CG-CE 4.28Å; L176-F212 HydrophobicContact CD1-CE1 3.84Å; L176-F212 HydrophobicContact CD1-CZ 3.69Å |
| 177 | P | 87.4 | Confident | 87.2 | Confident | 79 Ų | 79 | 61.1 Ų | 61.1 | 51% | 0.513 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.1 | -34.6 | 175.3 | -23.4 | 35.4 | 0 | 0 | 0 | 112.8 | M174 F175 | M174-P177 WeakPolarHBondContact O-CD 3.38Å; F175-P177 VanDerWaalsContact C-CD 3.47Å |
| 178 | A | 84.2 | Confident | 87.1 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 5% | 0.05 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -74.9 | -36.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L146 F175 L176 K180 N181 | L146-A178 HydrophobicContact CD2-CB 3.8Å; L146-A178 HydrophobicContact CG-CB 4.1Å; F175-A178 WeakPolarHBondContact O-CB 3.15Å; F175-A178 PolarHBondContact O-N 3.28Å; L176-A178 VanDerWaalsContact C-N 3.28Å; L176-A178 PolarHBondContact O-N 2.8Å; A178-K180 VanDerWaalsContact C-N 3.3Å; A178-K180 PolarHBondContact O-N 3.44Å; A178-N181 PolarHBondContact O-N 3.22Å |
| 179 | T | 81.3 | Confident | 87 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.7 | -32.9 | -173 | 53.8 | 0 | 0 | 0 | 0 | 114.4 | F175 L176 N181 L182 L197 L198 M201 F212 | F175-T179 PolarHBondContact O-N 2.98Å; L176-T179 PolarHBondContact O-OG1 2.98Å; T179-N181 PolarHBondContact O-N 2.65Å; T179-L182 PolarHBondContact O-N 3.11Å; T179-L182 VanDerWaalsContact O-N 3.07Å; T179-L197 HydrophobicContact CG2-CD2 3.87Å; T179-L197 HydrophobicContact CG2-CG 4.21Å; T179-L198 HydrophobicContact CG2-CD2 4.15Å; T179-M201 HydrophobicContact CG2-SD 3.72Å; T179-F212 HydrophobicContact CG2-CZ 4.44Å; T179-F212 WeakPolarHBondContact OG1-CE1 3.23Å; T179-F212 WeakPolarHBondContact OG1-CZ 3.49Å |
| 180 | K | 74.4 | Confident | 87 | Confident | 112 Ų | 112 | 58.3 Ų | 58.3 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -35.5 | -177.1 | -67.6 | 178.2 | 179.1 | 176 | 0 | 112.6 | A178 L182 H211 | A178-K180 VanDerWaalsContact C-N 3.3Å; A178-K180 PolarHBondContact O-N 3.44Å; K180-L182 VanDerWaalsContact C-N 3.34Å; K180-H211 WeakPolarHBondContact CE-CE1 3.41Å; K180-H211 WeakPolarHBondContact CE-NE2 3.45Å; K180-H211 PolarHBondContact NZ-NE2 3.35Å |
| 181 | N | 75.3 | Confident | 87.1 | Confident | 118 Ų | 118 | 52.7 Ų | 52.7 | 63% | 0.631 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -2.4 | -177.2 | -65.4 | -13.6 | 0 | 0 | 0 | 113.6 | A178 T179 S184 | A178-N181 PolarHBondContact O-N 3.22Å; T179-N181 PolarHBondContact O-N 2.65Å; N181-S184 PolarHBondContact O-OG 2.8Å |
| 182 | L | 81.6 | Confident | 87.2 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -26.9 | -175 | -60.8 | 176.1 | 0 | 0 | 0 | 113.5 | L146 T179 K180 S184 E185 V190 S194 | L146-L182 HydrophobicContact CD1-CD1 3.83Å; L146-L182 HydrophobicContact CD1-CD2 4.45Å; L146-L182 HydrophobicContact CD2-CD1 4.32Å; L146-L182 HydrophobicContact CG-CD1 4.16Å; T179-L182 PolarHBondContact O-N 3.11Å; T179-L182 VanDerWaalsContact O-N 3.07Å; K180-L182 VanDerWaalsContact C-N 3.34Å; L182-S184 PolarHBondContact O-N 3.2Å; L182-E185 WeakPolarHBondContact O-CB 3.44Å; L182-E185 PolarHBondContact O-N 3.29Å; L182-V190 HydrophobicContact CD2-CG1 4.46Å; L182-S194 WeakPolarHBondContact CB-OG 3.45Å |
| 183 | L | 82.5 | Confident | 87.5 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -4.3 | 177.7 | -69.7 | -171.8 | 0 | 0 | 0 | 114.4 | L191 V195 L198 L215 Q218 L219 I222 | L183-L191 HydrophobicContact CD2-CD1 3.78Å; L183-V195 HydrophobicContact CD2-CG2 4.11Å; L183-L198 HydrophobicContact CD1-CD1 3.75Å; L183-L198 HydrophobicContact CD2-CD1 3.7Å; L183-L198 HydrophobicContact CG-CD1 3.81Å; L183-L215 HydrophobicContact CD1-CB 4.12Å; L183-L215 HydrophobicContact CD1-CD1 3.9Å; L183-Q218 VanDerWaalsContact C-NE2 3.32Å; L183-Q218 PolarHBondContact O-NE2 2.84Å; L183-L219 HydrophobicContact CD1-CD2 3.9Å; L183-L219 HydrophobicContact CD1-CG 4.26Å; L183-L219 HydrophobicContact CD2-CD2 3.9Å; L183-I222 WeakPolarHBondContact O-CD1 3.44Å |
| 184 | S | 84.1 | Confident | 87.7 | Confident | 90 Ų | 90 | 46 Ų | 46 | 63% | 0.629 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -0.1 | 173.4 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | N181 L182 | N181-S184 PolarHBondContact O-OG 2.8Å; L182-S184 PolarHBondContact O-N 3.2Å |
| 185 | E | 85.1 | Confident | 87.9 | Confident | 41 Ų | 41 | 43 Ų | 43 | 19% | 0.192 | 23% | 0.23 | C | C | . | . | trans | -74.3 | 130.4 | -178.1 | -179.6 | 64.8 | -172.8 | 0 | 0 | 111.8 | S151 R154 L182 N187 V190 | S151-E185 PolarHBondContact OG-OE1 3.39Å; S151-E185 VanDerWaalsContact OG-OE1 3.1Å; R154-E185 VanDerWaalsContact CZ-CD 3.49Å; R154-E185 IonicContact CZ-OE1 3.97Å; R154-E185 IonicContact CZ-OE2 2.75Å; R154-E185 VanDerWaalsContact CZ-OE2 3.27Å; R154-E185 IonicContact NH1-OE1 3.78Å; R154-E185 IonicContact NH1-OE2 2.65Å; R154-E185 PolarHBondContact NH1-OE2 3.18Å; R154-E185 IonicContact NH2-OE1 2.75Å; R154-E185 PolarHBondContact NH2-OE1 3.44Å; R154-E185 IonicContact NH2-OE2 3.89Å; R154-E185 PolarHBondContact NH2-OE2 3.26Å; L182-E185 WeakPolarHBondContact O-CB 3.44Å; L182-E185 PolarHBondContact O-N 3.29Å; E185-N187 VanDerWaalsContact C-N 3.3Å; E185-N187 HydrophobicContact CG-CB 4.09Å; E185-N187 PolarHBondContact O-N 3.47Å; E185-V190 HydrophobicContact CB-CG1 4.42Å; E185-V190 HydrophobicContact CG-CB 3.83Å; E185-V190 HydrophobicContact CG-CG1 3.91Å; E185-V190 HydrophobicContact CG-CG2 4.34Å | ||
| 186 | K | 85.9 | Confident | 88.1 | Confident | 201 Ų | 201 | 43.6 Ų | 43.6 | 87% | 0.874 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -73.1 | -18.5 | 179.3 | -64 | -175.4 | 179.6 | -177.9 | 0 | 114.1 | H188 | K186-H188 PolarHBondContact O-N 3.06Š|
| 187 | N | 90.9 | Very high | 88.4 | Confident | 60 Ų | 60 | 41.6 Ų | 41.6 | 32% | 0.321 | 22% | 0.223 | S | C | . | . | trans | -81 | 109.1 | -179.1 | -171.2 | -90.5 | 0 | 0 | 0 | 110.9 | E185 G189 V190 L191 | E185-N187 VanDerWaalsContact C-N 3.3Å; E185-N187 HydrophobicContact CG-CB 4.09Å; E185-N187 PolarHBondContact O-N 3.47Å; N187-G189 PolarHBondContact O-N 2.86Å; N187-G189 VanDerWaalsContact O-N 3.15Å; N187-G189 WeakPolarHBondContact OD1-CA 3.38Å; N187-G189 PolarHBondContact OD1-N 3.33Å; N187-V190 HydrophobicContact CB-CB 4.39Å; N187-V190 HydrophobicContact CB-CG2 4.15Å; N187-V190 PolarHBondContact O-N 2.88Å; N187-V190 PolarHBondContact OD1-N 2.76Å; N187-V190 VanDerWaalsContact OD1-N 3.15Å; N187-L191 PolarHBondContact O-N 3.34Å | ||
| 188 | H | 91.2 | Very high | 88.7 | Confident | 44 Ų | 44 | 38 Ų | 38 | 20% | 0.204 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -49 | -40.6 | 177.8 | -78.1 | -126 | 0 | 0 | 0 | 113.4 | K186 V190 L191 H192 L226 H235 D242 | K186-H188 PolarHBondContact O-N 3.06Å; H188-V190 PolarHBondContact O-N 3.43Å; H188-L191 PolarHBondContact O-N 2.87Å; H188-H192 WeakPolarHBondContact O-CB 3.46Å; H188-H192 PolarHBondContact O-N 3.29Å; H188-L226 WeakPolarHBondContact CE1-CD2 3.24Å; H188-H235 AromaticContact CD2-CD2 3.57Å; H188-H235 AromaticContact CD2-NE2 3.8Å; H188-H235 AromaticContact CE1-CD2 3.69Å; H188-H235 AromaticContact CG-CD2 3.31Å; H188-H235 AromaticContact CG-NE2 3.59Å; H188-H235 AromaticContact ND1-CD2 3.4Å; H188-H235 PolarHBondContact ND1-CD2 3.39Å; H188-H235 AromaticContact NE2-CD2 3.81Å; H188-D242 WeakPolarHBondContact CB-OD2 3.3Å; H188-D242 IonicContact CE1-OD2 3.66Å; H188-D242 IonicContact CG-OD2 2.63Å; H188-D242 IonicContact ND1-OD2 2.69Å; H188-D242 PolarHBondContact ND1-OD2 3.17Å |
| 189 | G | 92.6 | Very high | 89.2 | Confident | 28 Ų | 28 | 38.1 Ų | 38.1 | 29% | 0.289 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.5 | -37.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N187 T193 | N187-G189 PolarHBondContact O-N 2.86Å; N187-G189 VanDerWaalsContact O-N 3.15Å; N187-G189 WeakPolarHBondContact OD1-CA 3.38Å; N187-G189 PolarHBondContact OD1-N 3.33Å; G189-T193 WeakPolarHBondContact O-CG2 3.26Å; G189-T193 PolarHBondContact O-N 3.49Å; G189-T193 PolarHBondContact O-OG1 3.42Å |
| 190 | V | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.4 | -50.7 | 170.8 | 179 | 0 | 0 | 0 | 0 | 109.2 | S151 R154 K155 L182 E185 N187 H188 H192 T193 S194 | S151-V190 WeakPolarHBondContact O-CG2 3.27Å; R154-V190 HydrophobicContact CB-CG1 4.06Å; R154-V190 HydrophobicContact CB-CG2 4.17Å; K155-V190 HydrophobicContact CB-CG2 4.21Å; L182-V190 HydrophobicContact CD2-CG1 4.46Å; E185-V190 HydrophobicContact CB-CG1 4.42Å; E185-V190 HydrophobicContact CG-CB 3.83Å; E185-V190 HydrophobicContact CG-CG1 3.91Å; E185-V190 HydrophobicContact CG-CG2 4.34Å; N187-V190 HydrophobicContact CB-CB 4.39Å; N187-V190 HydrophobicContact CB-CG2 4.15Å; N187-V190 PolarHBondContact O-N 2.88Å; N187-V190 PolarHBondContact OD1-N 2.76Å; N187-V190 VanDerWaalsContact OD1-N 3.15Å; H188-V190 PolarHBondContact O-N 3.43Å; V190-H192 PolarHBondContact O-N 2.96Å; V190-T193 CarbonylContact O-C 3.59Å; V190-T193 PolarHBondContact O-N 3.47Å; V190-T193 PolarHBondContact O-OG1 3.19Å; V190-S194 PolarHBondContact O-N 2.6Å; V190-S194 PolarHBondContact O-OG 2.94Å |
| 191 | L | 93.4 | Very high | 90.8 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.3 | -45.6 | -177.2 | -174.1 | 55.4 | 0 | 0 | 0 | 112.4 | L183 N187 H188 T193 S194 V195 I222 L245 | L183-L191 HydrophobicContact CD2-CD1 3.78Å; N187-L191 PolarHBondContact O-N 3.34Å; H188-L191 PolarHBondContact O-N 2.87Å; L191-T193 PolarHBondContact O-N 2.86Å; L191-S194 PolarHBondContact O-N 2.9Å; L191-V195 WeakPolarHBondContact O-CG2 3.49Å; L191-V195 PolarHBondContact O-N 3.33Å; L191-I222 HydrophobicContact CD2-CG2 4.01Å; L191-L245 HydrophobicContact CD2-CD2 3.99Å; L191-L245 HydrophobicContact CG-CD1 4.17Å; L191-L245 HydrophobicContact CG-CD2 4.28Å |
| 192 | H | 94.9 | Very high | 91.6 | Very high | 47 Ų | 47 | 27.8 Ų | 27.8 | 22% | 0.218 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56 | -50 | 172.6 | 169.3 | -80.2 | 0 | 0 | 0 | 111.9 | H188 V190 S194 V195 V196 L245 R248 | H188-H192 WeakPolarHBondContact O-CB 3.46Å; H188-H192 PolarHBondContact O-N 3.29Å; V190-H192 PolarHBondContact O-N 2.96Å; H192-S194 VanDerWaalsContact C-N 3.25Å; H192-S194 PolarHBondContact O-N 3.23Å; H192-V195 PolarHBondContact O-N 2.86Å; H192-V196 WeakPolarHBondContact O-CG2 3.27Å; H192-V196 PolarHBondContact O-N 3.21Å; H192-L245 HydrophobicContact CB-CD1 4.13Å; H192-R248 WeakPolarHBondContact NE2-CG 3.47Å |
| 193 | T | 95.8 | Very high | 92.1 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67 | -27.2 | 179.6 | 58.1 | 0 | 0 | 0 | 0 | 113.2 | K155 L159 G189 V190 L191 L197 | K155-T193 WeakPolarHBondContact CA-OG1 3.26Å; K155-T193 HydrophobicContact CB-CG2 4.07Å; L159-T193 HydrophobicContact CD1-CG2 3.75Å; L159-T193 HydrophobicContact CD2-CG2 3.95Å; L159-T193 HydrophobicContact CG-CG2 3.63Å; G189-T193 WeakPolarHBondContact O-CG2 3.26Å; G189-T193 PolarHBondContact O-N 3.49Å; G189-T193 PolarHBondContact O-OG1 3.42Å; V190-T193 CarbonylContact O-C 3.59Å; V190-T193 PolarHBondContact O-N 3.47Å; V190-T193 PolarHBondContact O-OG1 3.19Å; L191-T193 PolarHBondContact O-N 2.86Å; T193-L197 PolarHBondContact O-N 2.85Å |
| 194 | S | 94.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -77.4 | -37.6 | 175 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | L182 V190 L191 H192 V196 L197 L198 | L182-S194 WeakPolarHBondContact CB-OG 3.45Å; V190-S194 PolarHBondContact O-N 2.6Å; V190-S194 PolarHBondContact O-OG 2.94Å; L191-S194 PolarHBondContact O-N 2.9Å; H192-S194 VanDerWaalsContact C-N 3.25Å; H192-S194 PolarHBondContact O-N 3.23Å; S194-V196 VanDerWaalsContact C-N 3.31Å; S194-L197 PolarHBondContact O-N 3.37Å; S194-L198 WeakPolarHBondContact O-CG 3.4Å; S194-L198 PolarHBondContact O-N 3.4Å |
| 195 | V | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -38.2 | 169.2 | 172 | 0 | 0 | 0 | 0 | 110.5 | L183 L191 H192 L198 T199 L219 L245 R248 I249 L252 | L183-V195 HydrophobicContact CD2-CG2 4.11Å; L191-V195 WeakPolarHBondContact O-CG2 3.49Å; L191-V195 PolarHBondContact O-N 3.33Å; H192-V195 PolarHBondContact O-N 2.86Å; V195-L198 PolarHBondContact O-N 3.23Å; V195-T199 WeakPolarHBondContact O-CB 3.37Å; V195-T199 PolarHBondContact O-N 3.43Å; V195-T199 PolarHBondContact O-OG1 3.03Å; V195-L219 HydrophobicContact CG2-CD2 4.36Å; V195-L245 HydrophobicContact CG2-CD1 4.31Å; V195-R248 HydrophobicContact CG1-CB 3.77Å; V195-R248 WeakPolarHBondContact CG1-O 3.37Å; V195-I249 HydrophobicContact CG1-CG1 4.33Å; V195-I249 HydrophobicContact CG2-CG1 4.16Å; V195-L252 HydrophobicContact CG1-CB 4.12Å; V195-L252 HydrophobicContact CG1-CD2 3.9Å |
| 196 | V | 96.6 | Very high | 93 | Very high | 12 Ų | 12 | 38.6 Ų | 38.6 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.4 | -39.1 | 172.8 | 174.1 | 0 | 0 | 0 | 0 | 112 | L159 V162 H192 S194 T199 E200 R248 | L159-V196 HydrophobicContact CD2-CB 4.4Å; L159-V196 HydrophobicContact CD2-CG1 4.03Å; V162-V196 HydrophobicContact CG2-CG1 4.35Å; H192-V196 WeakPolarHBondContact O-CG2 3.27Å; H192-V196 PolarHBondContact O-N 3.21Å; S194-V196 VanDerWaalsContact C-N 3.31Å; V196-T199 WeakPolarHBondContact O-CB 3.41Å; V196-T199 PolarHBondContact O-N 3.15Å; V196-E200 PolarHBondContact O-N 2.77Å; V196-E200 VanDerWaalsContact O-N 3.11Å; V196-R248 HydrophobicContact CG2-CG 4.07Å |
| 197 | L | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -46.8 | 173 | 177.1 | 59.7 | 0 | 0 | 0 | 112.1 | L146 A161 V162 I165 T179 T193 S194 T199 E200 M201 | L146-L197 HydrophobicContact CD2-CD2 3.96Å; A161-L197 HydrophobicContact CB-CD1 4.06Å; A161-L197 HydrophobicContact CB-CD2 4.42Å; V162-L197 VanDerWaalsContact CG2-CA 3.47Å; V162-L197 HydrophobicContact CG2-CB 3.89Å; V162-L197 HydrophobicContact CG2-CD1 3.76Å; V162-L197 HydrophobicContact CG2-CG 4.44Å; I165-L197 HydrophobicContact CD1-CD1 3.76Å; T179-L197 HydrophobicContact CG2-CD2 3.87Å; T179-L197 HydrophobicContact CG2-CG 4.21Å; T193-L197 PolarHBondContact O-N 2.85Å; S194-L197 PolarHBondContact O-N 3.37Å; L197-T199 VanDerWaalsContact C-N 3.3Å; L197-T199 PolarHBondContact O-N 3.46Å; L197-E200 PolarHBondContact O-N 3.01Å; L197-M201 HydrophobicContact CD1-CG 4.28Å; L197-M201 HydrophobicContact CD1-SD 4.18Å; L197-M201 HydrophobicContact CG-SD 4.13Å; L197-M201 VanDerWaalsContact O-CG 3.31Å; L197-M201 WeakPolarHBondContact O-CG 3.31Å; L197-M201 PolarHBondContact O-N 3.01Å |
| 198 | L | 93.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.7 | -38 | 174.6 | -68.8 | 171 | 0 | 0 | 0 | 112.3 | T179 L183 S194 V195 M201 C202 F212 L252 | T179-L198 HydrophobicContact CG2-CD2 4.15Å; L183-L198 HydrophobicContact CD1-CD1 3.75Å; L183-L198 HydrophobicContact CD2-CD1 3.7Å; L183-L198 HydrophobicContact CG-CD1 3.81Å; S194-L198 WeakPolarHBondContact O-CG 3.4Å; S194-L198 PolarHBondContact O-N 3.4Å; V195-L198 PolarHBondContact O-N 3.23Å; L198-M201 PolarHBondContact O-N 3.44Å; L198-C202 VanDerWaalsContact O-CB 3.22Å; L198-C202 WeakPolarHBondContact O-CB 3.07Å; L198-C202 PolarHBondContact O-N 3.27Å; L198-C202 PolarHBondContact O-SG 2.83Å; L198-F212 HydrophobicContact CD2-CD1 3.7Å; L198-F212 HydrophobicContact CD2-CD2 3.81Å; L198-F212 HydrophobicContact CD2-CE1 3.43Å; L198-F212 VanDerWaalsContact CD2-CE1 3.43Å; L198-F212 HydrophobicContact CD2-CE2 3.51Å; L198-F212 HydrophobicContact CD2-CG 3.9Å; L198-F212 HydrophobicContact CD2-CZ 3.33Å; L198-L252 HydrophobicContact CB-CD1 4.21Å; L198-L252 HydrophobicContact CB-CD2 3.85Å; L198-L252 HydrophobicContact CD1-CD2 4.2Å |
| 199 | T | 95.1 | Very high | 92.9 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.9 | -51 | 176.6 | -55.8 | 0 | 0 | 0 | 0 | 110.5 | V195 V196 L197 C202 E203 I255 | V195-T199 WeakPolarHBondContact O-CB 3.37Å; V195-T199 PolarHBondContact O-N 3.43Å; V195-T199 PolarHBondContact O-OG1 3.03Å; V196-T199 WeakPolarHBondContact O-CB 3.41Å; V196-T199 PolarHBondContact O-N 3.15Å; L197-T199 VanDerWaalsContact C-N 3.3Å; L197-T199 PolarHBondContact O-N 3.46Å; T199-C202 PolarHBondContact O-N 2.67Å; T199-E203 VanDerWaalsContact O-CB 3.3Å; T199-E203 WeakPolarHBondContact O-CB 3.34Å; T199-E203 PolarHBondContact O-N 2.86Å; T199-I255 HydrophobicContact CG2-CD1 3.82Å |
| 200 | E | 94.9 | Very high | 92.6 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 177.9 | -167.6 | 78.8 | -151.8 | 0 | 0 | 111.5 | V162 I165 R166 V196 L197 C202 E203 R204 | V162-E200 HydrophobicContact CG1-CB 4.31Å; V162-E200 HydrophobicContact CG1-CG 4.24Å; V162-E200 HydrophobicContact CG2-CB 4.44Å; I165-E200 HydrophobicContact CG2-CG 4.01Å; R166-E200 HydrophobicContact CG-CG 4.35Å; R166-E200 VanDerWaalsContact CG-OE1 3.23Å; R166-E200 WeakPolarHBondContact CG-OE1 3.24Å; R166-E200 IonicContact CZ-OE2 3.43Å; R166-E200 IonicContact NE-OE1 3.23Å; R166-E200 IonicContact NE-OE2 3.93Å; R166-E200 PolarHBondContact NE-OE2 3.37Å; R166-E200 IonicContact NH2-OE2 3.29Å; R166-E200 PolarHBondContact NH2-OE2 3.01Å; V196-E200 PolarHBondContact O-N 2.77Å; V196-E200 VanDerWaalsContact O-N 3.11Å; L197-E200 PolarHBondContact O-N 3.01Å; E200-C202 VanDerWaalsContact C-N 3.33Å; E200-C202 PolarHBondContact O-N 2.97Å; E200-E203 PolarHBondContact O-N 2.68Å; E200-R204 HydrophobicContact CG-CG 4.44Å; E200-R204 WeakPolarHBondContact O-CG 3.22Å; E200-R204 PolarHBondContact O-N 2.92Å; E200-R204 VanDerWaalsContact O-N 3.07Å; E200-R204 IonicContact OE1-CZ 3.17Å; E200-R204 VanDerWaalsContact OE1-CZ 3.28Å; E200-R204 IonicContact OE1-NE 2.58Å; E200-R204 PolarHBondContact OE1-NE 3.15Å; E200-R204 IonicContact OE1-NH2 2.77Å; E200-R204 PolarHBondContact OE1-NH2 3.19Å |
| 201 | M | 93.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | 179.2 | -67.7 | 177.2 | 104.4 | 0 | 0 | 112.9 | I165 M172 F175 L176 T179 L197 L198 S205 M208 F212 | I165-M201 HydrophobicContact CD1-CE 4.47Å; I165-M201 HydrophobicContact CD1-CG 3.94Å; M172-M201 HydrophobicContact CB-CE 4.5Å; M172-M201 HydrophobicContact CE-CB 4.06Å; M172-M201 HydrophobicContact CE-CG 4.33Å; M172-M201 WeakPolarHBondContact CE-O 3.39Å; M172-M201 WeakPolarHBondContact O-CE 3.09Å; F175-M201 HydrophobicContact CB-CE 4.07Å; L176-M201 HydrophobicContact CB-CE 4.42Å; T179-M201 HydrophobicContact CG2-SD 3.72Å; L197-M201 HydrophobicContact CD1-CG 4.28Å; L197-M201 HydrophobicContact CD1-SD 4.18Å; L197-M201 HydrophobicContact CG-SD 4.13Å; L197-M201 VanDerWaalsContact O-CG 3.31Å; L197-M201 WeakPolarHBondContact O-CG 3.31Å; L197-M201 PolarHBondContact O-N 3.01Å; L198-M201 PolarHBondContact O-N 3.44Å; M201-S205 PolarHBondContact O-N 3.36Å; M201-M208 HydrophobicContact CB-CE 4.34Å; M201-M208 HydrophobicContact CE-CE 3.65Å; M201-M208 WeakPolarHBondContact O-CB 3.46Å; M201-M208 HydrophobicContact SD-CE 4.33Å; M201-F212 HydrophobicContact CB-CE2 3.96Å; M201-F212 HydrophobicContact SD-CE2 4.09Å; M201-F212 HydrophobicContact SD-CZ 4.16Å |
| 202 | C | 92.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.4 | -36.6 | 174.1 | -75.8 | 0 | 0 | 0 | 0 | 112.8 | L198 T199 E200 R204 L209 L252 I255 | L198-C202 VanDerWaalsContact O-CB 3.22Å; L198-C202 WeakPolarHBondContact O-CB 3.07Å; L198-C202 PolarHBondContact O-N 3.27Å; L198-C202 PolarHBondContact O-SG 2.83Å; T199-C202 PolarHBondContact O-N 2.67Å; E200-C202 VanDerWaalsContact C-N 3.33Å; E200-C202 PolarHBondContact O-N 2.97Å; C202-R204 VanDerWaalsContact C-N 3.34Å; C202-L209 HydrophobicContact CB-CD2 3.49Å; C202-L209 VanDerWaalsContact CB-CD2 3.49Å; C202-L209 WeakPolarHBondContact O-CD2 3.49Å; C202-L252 HydrophobicContact CB-CD1 4.4Å; C202-I255 HydrophobicContact CB-CG2 3.93Å |
| 203 | E | 92.3 | Very high | 92 | Very high | 129 Ų | 129 | 36.4 Ų | 36.4 | 60% | 0.603 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -75.6 | -22.1 | -179 | -170.2 | 165.7 | -168 | 0 | 0 | 112.7 | T199 E200 | T199-E203 VanDerWaalsContact O-CB 3.3Å; T199-E203 WeakPolarHBondContact O-CB 3.34Å; T199-E203 PolarHBondContact O-N 2.86Å; E200-E203 PolarHBondContact O-N 2.68Å |
| 204 | R | 91.1 | Very high | 91.6 | Very high | 110 Ų | 110 | 44.1 Ų | 44.1 | 42% | 0.415 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -88.5 | -42.1 | -179.4 | -65.2 | -69.4 | 173.2 | 162.9 | -2.4 | 114.9 | I165 M172 E200 C202 | I165-R204 HydrophobicContact CG2-CG 4.19Å; M172-R204 HydrophobicContact CE-CB 3.87Å; M172-R204 HydrophobicContact SD-CB 4.12Å; E200-R204 HydrophobicContact CG-CG 4.44Å; E200-R204 WeakPolarHBondContact O-CG 3.22Å; E200-R204 PolarHBondContact O-N 2.92Å; E200-R204 VanDerWaalsContact O-N 3.07Å; E200-R204 IonicContact OE1-CZ 3.17Å; E200-R204 VanDerWaalsContact OE1-CZ 3.28Å; E200-R204 IonicContact OE1-NE 2.58Å; E200-R204 PolarHBondContact OE1-NE 3.15Å; E200-R204 IonicContact OE1-NH2 2.77Å; E200-R204 PolarHBondContact OE1-NH2 3.19Å; C202-R204 VanDerWaalsContact C-N 3.34Å |
| 205 | S | 89.4 | Confident | 91.3 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | trans | -137.6 | 123.5 | -169.7 | -64.7 | 0 | 0 | 0 | 0 | 113.3 | M172 M201 D207 M208 | M172-S205 PolarHBondContact SD-OG 3.36Å; M201-S205 PolarHBondContact O-N 3.36Å; S205-D207 VanDerWaalsContact C-N 3.3Å; S205-D207 PolarHBondContact O-N 3.21Å; S205-M208 WeakPolarHBondContact O-CB 3.42Å; S205-M208 PolarHBondContact O-N 3.08Å; S205-M208 VanDerWaalsContact O-N 3.1Å | ||
| 206 | P | 89.2 | Confident | 91.2 | Very high | 96 Ų | 96 | 45.8 Ų | 45.8 | 62% | 0.623 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -57.4 | -34.6 | -179.3 | -28.1 | 36.5 | 0 | 0 | 0 | 115.1 | M208 L209 A210 | P206-M208 PolarHBondContact O-N 3.35Å; P206-L209 WeakPolarHBondContact O-CA 3.38Å; P206-L209 VanDerWaalsContact O-CB 3.23Å; P206-L209 WeakPolarHBondContact O-CB 3.5Å; P206-L209 PolarHBondContact O-N 3.28Å; P206-A210 PolarHBondContact O-N 2.97Å |
| 207 | D | 89.2 | Confident | 90.9 | Very high | 129 Ų | 129 | 49 Ų | 49 | 69% | 0.69 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.6 | -29.5 | 179.5 | -51.5 | -72.1 | 0 | 0 | 0 | 112.3 | S205 A210 H211 | S205-D207 VanDerWaalsContact C-N 3.3Å; S205-D207 PolarHBondContact O-N 3.21Å; D207-A210 PolarHBondContact O-N 3.49Å; D207-H211 PolarHBondContact O-N 3.49Å |
| 208 | M | 87.4 | Confident | 90.8 | Very high | 14 Ų | 14 | 52.4 Ų | 52.4 | 7% | 0.069 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.1 | -30.6 | 175.2 | -56.3 | -63.3 | -60.8 | 0 | 0 | 111.7 | M172 L176 M201 S205 P206 H211 F212 | M172-M208 HydrophobicContact CE-CG 3.78Å; L176-M208 HydrophobicContact CB-CE 4.17Å; L176-M208 HydrophobicContact CD1-CE 3.77Å; L176-M208 HydrophobicContact CD2-CE 4.29Å; L176-M208 HydrophobicContact CD2-SD 4.35Å; L176-M208 HydrophobicContact CG-CE 4.28Å; M201-M208 HydrophobicContact CB-CE 4.34Å; M201-M208 HydrophobicContact CE-CE 3.65Å; M201-M208 WeakPolarHBondContact O-CB 3.46Å; M201-M208 HydrophobicContact SD-CE 4.33Å; S205-M208 WeakPolarHBondContact O-CB 3.42Å; S205-M208 PolarHBondContact O-N 3.08Å; S205-M208 VanDerWaalsContact O-N 3.1Å; P206-M208 PolarHBondContact O-N 3.35Å; M208-H211 PolarHBondContact O-N 3.48Å; M208-F212 HydrophobicContact CB-CD2 4.27Å; M208-F212 HydrophobicContact CB-CE2 4.29Å; M208-F212 HydrophobicContact CE-CD2 4.32Å; M208-F212 HydrophobicContact CE-CE2 3.38Å; M208-F212 HydrophobicContact CE-CZ 3.66Å; M208-F212 WeakPolarHBondContact O-CB 3.14Å; M208-F212 WeakPolarHBondContact O-CD2 3.47Å; M208-F212 WeakPolarHBondContact O-CG 3.3Å; M208-F212 PolarHBondContact O-N 3.1Å |
| 209 | L | 89.3 | Confident | 90.7 | Very high | 30 Ų | 30 | 52.3 Ų | 52.3 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 168.9 | -59.2 | 170.3 | 0 | 0 | 0 | 110 | C202 P206 H211 F212 R213 I255 L256 | C202-L209 HydrophobicContact CB-CD2 3.49Å; C202-L209 VanDerWaalsContact CB-CD2 3.49Å; C202-L209 WeakPolarHBondContact O-CD2 3.49Å; P206-L209 WeakPolarHBondContact O-CA 3.38Å; P206-L209 VanDerWaalsContact O-CB 3.23Å; P206-L209 WeakPolarHBondContact O-CB 3.5Å; P206-L209 PolarHBondContact O-N 3.28Å; L209-H211 VanDerWaalsContact C-N 3.26Å; L209-H211 PolarHBondContact O-N 3.45Å; L209-F212 PolarHBondContact O-N 3.49Å; L209-R213 WeakPolarHBondContact O-CB 3.47Å; L209-R213 VanDerWaalsContact O-CG 3.27Å; L209-R213 WeakPolarHBondContact O-CG 3.4Å; L209-R213 PolarHBondContact O-N 2.95Å; L209-I255 HydrophobicContact CD2-CG2 3.76Å; L209-L256 HydrophobicContact CD2-CD2 4.16Å |
| 210 | A | 88.3 | Confident | 90.6 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 46% | 0.463 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.4 | -34.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P206 D207 | P206-A210 PolarHBondContact O-N 2.97Å; D207-A210 PolarHBondContact O-N 3.49Å |
| 211 | H | 89.1 | Confident | 90.5 | Very high | 54 Ų | 54 | 61 Ų | 61 | 25% | 0.25 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.5 | -49.8 | 172 | -178.8 | -86.4 | 0 | 0 | 0 | 112.5 | K180 D207 M208 L209 | K180-H211 WeakPolarHBondContact CE-CE1 3.41Å; K180-H211 WeakPolarHBondContact CE-NE2 3.45Å; K180-H211 PolarHBondContact NZ-NE2 3.35Å; D207-H211 PolarHBondContact O-N 3.49Å; M208-H211 PolarHBondContact O-N 3.48Å; L209-H211 VanDerWaalsContact C-N 3.26Å; L209-H211 PolarHBondContact O-N 3.45Å |
| 212 | F | 89.9 | Confident | 90.4 | Very high | 3 Ų | 3 | 62.3 Ų | 62.3 | 1% | 0.013 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -83.5 | -17.2 | -171.6 | -65.7 | -46.3 | 0 | 0 | 0 | 115.3 | L176 T179 L198 M201 M208 L209 K214 L215 L256 | L176-F212 HydrophobicContact CD1-CE1 3.84Å; L176-F212 HydrophobicContact CD1-CZ 3.69Å; T179-F212 HydrophobicContact CG2-CZ 4.44Å; T179-F212 WeakPolarHBondContact OG1-CE1 3.23Å; T179-F212 WeakPolarHBondContact OG1-CZ 3.49Å; L198-F212 HydrophobicContact CD2-CD1 3.7Å; L198-F212 HydrophobicContact CD2-CD2 3.81Å; L198-F212 HydrophobicContact CD2-CE1 3.43Å; L198-F212 VanDerWaalsContact CD2-CE1 3.43Å; L198-F212 HydrophobicContact CD2-CE2 3.51Å; L198-F212 HydrophobicContact CD2-CG 3.9Å; L198-F212 HydrophobicContact CD2-CZ 3.33Å; M201-F212 HydrophobicContact CB-CE2 3.96Å; M201-F212 HydrophobicContact SD-CE2 4.09Å; M201-F212 HydrophobicContact SD-CZ 4.16Å; M208-F212 HydrophobicContact CB-CD2 4.27Å; M208-F212 HydrophobicContact CB-CE2 4.29Å; M208-F212 HydrophobicContact CE-CD2 4.32Å; M208-F212 HydrophobicContact CE-CE2 3.38Å; M208-F212 HydrophobicContact CE-CZ 3.66Å; M208-F212 WeakPolarHBondContact O-CB 3.14Å; M208-F212 WeakPolarHBondContact O-CD2 3.47Å; M208-F212 WeakPolarHBondContact O-CG 3.3Å; M208-F212 PolarHBondContact O-N 3.1Å; L209-F212 PolarHBondContact O-N 3.49Å; F212-K214 PolarHBondContact O-N 3.35Å; F212-K214 VanDerWaalsContact O-N 3.14Å; F212-L215 HydrophobicContact CD1-CD1 3.8Å; F212-L215 HydrophobicContact CE1-CD1 4.49Å; F212-L215 WeakPolarHBondContact O-CB 3.26Å; F212-L215 PolarHBondContact O-N 3.03Å; F212-L256 HydrophobicContact CB-CD2 4.15Å |
| 213 | R | 89.4 | Confident | 90.5 | Very high | 59 Ų | 59 | 62.1 Ų | 62.1 | 22% | 0.223 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -52.7 | -33.4 | 170.5 | -84.9 | 175.5 | -173.6 | 163.4 | 13.4 | 112.5 | L209 L215 V216 L256 D260 | L209-R213 WeakPolarHBondContact O-CB 3.47Å; L209-R213 VanDerWaalsContact O-CG 3.27Å; L209-R213 WeakPolarHBondContact O-CG 3.4Å; L209-R213 PolarHBondContact O-N 2.95Å; R213-L215 PolarHBondContact O-N 2.73Å; R213-V216 VanDerWaalsContact O-CB 3.31Å; R213-V216 WeakPolarHBondContact O-CB 3.36Å; R213-V216 VanDerWaalsContact O-CG2 3.32Å; R213-V216 WeakPolarHBondContact O-CG2 3.49Å; R213-V216 PolarHBondContact O-N 3.41Å; R213-L256 HydrophobicContact CG-CB 4.28Å; R213-L256 HydrophobicContact CG-CD2 3.96Å; R213-L256 PolarHBondContact NE-O 3.33Å; R213-L256 PolarHBondContact NH2-O 2.96Å; R213-D260 VanDerWaalsContact CD-OD1 3.29Å; R213-D260 WeakPolarHBondContact CD-OD1 3.32Å; R213-D260 IonicContact CZ-OD1 2.67Å; R213-D260 VanDerWaalsContact CZ-OD1 3.29Å; R213-D260 IonicContact NE-OD1 3.71Å; R213-D260 PolarHBondContact NE-OD1 3.17Å; R213-D260 IonicContact NH1-OD1 2.94Å; R213-D260 PolarHBondContact NH1-OD1 3.22Å |
| 214 | K | 87.9 | Confident | 90.5 | Very high | 170 Ų | 170 | 58.9 Ų | 58.9 | 74% | 0.739 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -61.4 | -15.2 | 176.3 | -59.3 | 178.1 | -176.1 | 179.1 | 0 | 113.8 | F212 | F212-K214 PolarHBondContact O-N 3.35Å; F212-K214 VanDerWaalsContact O-N 3.14Å |
| 215 | L | 88.4 | Confident | 90.5 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 19% | 0.194 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -98.1 | -2.4 | 177.7 | -53.8 | 175.8 | 0 | 0 | 0 | 112.9 | L183 F212 R213 Q218 L219 | L183-L215 HydrophobicContact CD1-CB 4.12Å; L183-L215 HydrophobicContact CD1-CD1 3.9Å; F212-L215 HydrophobicContact CD1-CD1 3.8Å; F212-L215 HydrophobicContact CE1-CD1 4.49Å; F212-L215 WeakPolarHBondContact O-CB 3.26Å; F212-L215 PolarHBondContact O-N 3.03Å; R213-L215 PolarHBondContact O-N 2.73Å; L215-Q218 WeakPolarHBondContact O-CB 3.21Å; L215-Q218 PolarHBondContact O-N 2.91Å; L215-L219 PolarHBondContact O-N 3.37Å |
| 216 | V | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.2 | -47.1 | 178.6 | 166.3 | 0 | 0 | 0 | 0 | 112.5 | R213 Q218 L219 V220 L253 L256 A266 M267 | R213-V216 VanDerWaalsContact O-CB 3.31Å; R213-V216 WeakPolarHBondContact O-CB 3.36Å; R213-V216 VanDerWaalsContact O-CG2 3.32Å; R213-V216 WeakPolarHBondContact O-CG2 3.49Å; R213-V216 PolarHBondContact O-N 3.41Å; V216-Q218 PolarHBondContact O-N 2.91Å; V216-L219 PolarHBondContact O-N 2.76Å; V216-L219 VanDerWaalsContact O-N 3.09Å; V216-V220 HydrophobicContact CG1-CG2 4.05Å; V216-V220 WeakPolarHBondContact O-CB 3.35Å; V216-V220 VanDerWaalsContact O-CG2 3.3Å; V216-V220 WeakPolarHBondContact O-CG2 3.36Å; V216-V220 PolarHBondContact O-N 2.81Å; V216-L253 HydrophobicContact CB-CD2 4.44Å; V216-L253 HydrophobicContact CG1-CD2 3.82Å; V216-L253 HydrophobicContact CG2-CD2 4.21Å; V216-L256 HydrophobicContact CG2-CB 4.07Å; V216-L256 HydrophobicContact CG2-CD1 3.71Å; V216-L256 HydrophobicContact CG2-CG 4.45Å; V216-A266 HydrophobicContact CG1-CB 4.28Å; V216-M267 HydrophobicContact CG1-CE 4.17Å |
| 217 | P | 91.9 | Very high | 90.6 | Very high | 79 Ų | 79 | 54.5 Ų | 54.5 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.3 | -29.5 | 177.4 | -25.4 | 36 | 0 | 0 | 0 | 114 | R221 | P217-R221 WeakPolarHBondContact O-CB 3.45Å; P217-R221 PolarHBondContact O-N 3.36Å |
| 218 | Q | 91.6 | Very high | 90.5 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 34% | 0.341 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72.2 | -43.8 | 173.8 | 178.7 | 175.3 | -9.2 | 0 | 0 | 111.1 | L183 L215 V216 R221 I222 | L183-Q218 VanDerWaalsContact C-NE2 3.32Å; L183-Q218 PolarHBondContact O-NE2 2.84Å; L215-Q218 WeakPolarHBondContact O-CB 3.21Å; L215-Q218 PolarHBondContact O-N 2.91Å; V216-Q218 PolarHBondContact O-N 2.91Å; Q218-R221 PolarHBondContact O-N 3.46Å; Q218-I222 HydrophobicContact CG-CD1 4.06Å; Q218-I222 VanDerWaalsContact O-CG1 3.27Å; Q218-I222 WeakPolarHBondContact O-CG1 3.44Å; Q218-I222 PolarHBondContact O-N 2.93Å |
| 219 | L | 91.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 175.2 | -67.9 | 169.3 | 0 | 0 | 0 | 111.8 | L183 V195 L215 V216 I222 L223 I249 L252 L253 L256 | L183-L219 HydrophobicContact CD1-CD2 3.9Å; L183-L219 HydrophobicContact CD1-CG 4.26Å; L183-L219 HydrophobicContact CD2-CD2 3.9Å; V195-L219 HydrophobicContact CG2-CD2 4.36Å; L215-L219 PolarHBondContact O-N 3.37Å; V216-L219 PolarHBondContact O-N 2.76Å; V216-L219 VanDerWaalsContact O-N 3.09Å; L219-I222 PolarHBondContact O-N 2.92Å; L219-L223 WeakPolarHBondContact O-CB 3.36Å; L219-L223 PolarHBondContact O-N 3.31Å; L219-I249 HydrophobicContact CB-CG2 4.2Å; L219-L252 HydrophobicContact CD1-CD2 3.64Å; L219-L252 HydrophobicContact CD1-CG 4.13Å; L219-L252 HydrophobicContact CD2-CD2 4.22Å; L219-L253 HydrophobicContact CB-CD2 4.33Å; L219-L256 HydrophobicContact CD1-CD1 4.08Å |
| 220 | V | 93.7 | Very high | 89.4 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 173.7 | 167.4 | 0 | 0 | 0 | 0 | 110.9 | V216 I222 L223 K224 L253 M267 I270 | V216-V220 HydrophobicContact CG1-CG2 4.05Å; V216-V220 WeakPolarHBondContact O-CB 3.35Å; V216-V220 VanDerWaalsContact O-CG2 3.3Å; V216-V220 WeakPolarHBondContact O-CG2 3.36Å; V216-V220 PolarHBondContact O-N 2.81Å; V220-I222 PolarHBondContact O-N 3.3Å; V220-L223 PolarHBondContact O-N 3.04Å; V220-K224 WeakPolarHBondContact O-CB 3.47Å; V220-K224 PolarHBondContact O-N 3.15Å; V220-L253 HydrophobicContact CG2-CD1 4.48Å; V220-L253 HydrophobicContact CG2-CD2 4.19Å; V220-M267 HydrophobicContact CG2-CB 3.95Å; V220-I270 HydrophobicContact CB-CG2 4.33Å; V220-I270 HydrophobicContact CG1-CB 4.01Å; V220-I270 HydrophobicContact CG1-CG2 3.79Å; V220-I270 HydrophobicContact CG2-CG2 3.96Å |
| 221 | R | 92.9 | Very high | 89.1 | Confident | 185 Ų | 185 | 63.5 Ų | 63.5 | 70% | 0.698 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.9 | -37.8 | 175.5 | -172.9 | 176.2 | -178 | 178.4 | 1.5 | 112.7 | P217 Q218 N225 | P217-R221 WeakPolarHBondContact O-CB 3.45Å; P217-R221 PolarHBondContact O-N 3.36Å; Q218-R221 PolarHBondContact O-N 3.46Å; R221-N225 WeakPolarHBondContact O-CB 3.48Å; R221-N225 PolarHBondContact O-N 3.1Å; R221-N225 PolarHBondContact O-ND2 3.48Å; R221-N225 PolarHBondContact O-OD1 2.89Å |
| 222 | I | 92 | Very high | 88.8 | Confident | 27 Ų | 27 | 62.4 Ų | 62.4 | 14% | 0.138 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 174.4 | -70.1 | 164.2 | 0 | 0 | 0 | 110.2 | L183 L191 Q218 L219 V220 K224 N225 L226 I249 | L183-I222 WeakPolarHBondContact O-CD1 3.44Å; L191-I222 HydrophobicContact CD2-CG2 4.01Å; Q218-I222 HydrophobicContact CG-CD1 4.06Å; Q218-I222 VanDerWaalsContact O-CG1 3.27Å; Q218-I222 WeakPolarHBondContact O-CG1 3.44Å; Q218-I222 PolarHBondContact O-N 2.93Å; L219-I222 PolarHBondContact O-N 2.92Å; V220-I222 PolarHBondContact O-N 3.3Å; I222-K224 PolarHBondContact O-N 3.41Å; I222-N225 WeakPolarHBondContact O-CB 3.5Å; I222-N225 PolarHBondContact O-N 2.93Å; I222-L226 HydrophobicContact CG2-CD1 4.4Å; I222-L226 WeakPolarHBondContact O-CG 3.19Å; I222-L226 PolarHBondContact O-N 3.31Å; I222-I249 HydrophobicContact CG2-CD1 3.7Å |
| 223 | L | 93.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -42 | 177.5 | -176.6 | 57.8 | 0 | 0 | 0 | 112 | L219 V220 N225 L226 I227 Q246 I249 L250 L253 I270 | L219-L223 WeakPolarHBondContact O-CB 3.36Å; L219-L223 PolarHBondContact O-N 3.31Å; V220-L223 PolarHBondContact O-N 3.04Å; L223-N225 VanDerWaalsContact C-N 3.33Å; L223-N225 PolarHBondContact O-N 3.25Å; L223-L226 PolarHBondContact O-N 3Å; L223-L226 VanDerWaalsContact O-N 3.1Å; L223-I227 HydrophobicContact CD1-CD1 4.08Å; L223-I227 HydrophobicContact CG-CD1 3.97Å; L223-I227 WeakPolarHBondContact O-CG1 3.12Å; L223-I227 PolarHBondContact O-N 3.34Å; L223-Q246 HydrophobicContact CD1-CB 3.99Å; L223-Q246 HydrophobicContact CD1-CG 3.84Å; L223-I249 HydrophobicContact CB-CG2 4.12Å; L223-I249 HydrophobicContact CD2-CG2 4.27Å; L223-L250 HydrophobicContact CD2-CD2 3.89Å; L223-L250 HydrophobicContact CD2-CG 4.22Å; L223-L253 HydrophobicContact CD2-CD1 4.16Å; L223-I270 HydrophobicContact CB-CG1 4.26Å; L223-I270 HydrophobicContact CD2-CG1 3.85Å; L223-I270 HydrophobicContact CD2-CG2 4.43Å; L223-I270 HydrophobicContact CG-CG1 3.9Å |
| 224 | K | 92.9 | Very high | 88.3 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 27% | 0.265 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 174.4 | -162.5 | 155.5 | -171.3 | 154.9 | 0 | 111.9 | V220 I222 I227 M228 D269 I270 | V220-K224 WeakPolarHBondContact O-CB 3.47Å; V220-K224 PolarHBondContact O-N 3.15Å; I222-K224 PolarHBondContact O-N 3.41Å; K224-I227 PolarHBondContact O-N 3.46Å; K224-M228 HydrophobicContact CG-SD 3.93Å; K224-M228 WeakPolarHBondContact O-CB 3.49Å; K224-M228 WeakPolarHBondContact O-CG 3.4Å; K224-M228 PolarHBondContact O-N 3.27Å; K224-D269 IonicContact NZ-OD1 2.72Å; K224-D269 IonicContact NZ-OD2 2.9Å; K224-D269 PolarHBondContact NZ-OD2 3.49Å; K224-I270 HydrophobicContact CB-CD1 3.73Å; K224-I270 HydrophobicContact CD-CD1 4.24Å; K224-I270 HydrophobicContact CG-CD1 3.97Å |
| 225 | N | 91.7 | Very high | 88.3 | Confident | 95 Ų | 95 | 66.7 Ų | 66.7 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 171.2 | -70.1 | -13.2 | 0 | 0 | 0 | 112.3 | R221 I222 L223 S229 | R221-N225 WeakPolarHBondContact O-CB 3.48Å; R221-N225 PolarHBondContact O-N 3.1Å; R221-N225 PolarHBondContact O-ND2 3.48Å; R221-N225 PolarHBondContact O-OD1 2.89Å; I222-N225 WeakPolarHBondContact O-CB 3.5Å; I222-N225 PolarHBondContact O-N 2.93Å; L223-N225 VanDerWaalsContact C-N 3.33Å; L223-N225 PolarHBondContact O-N 3.25Å; N225-S229 WeakPolarHBondContact O-CA 3.23Å; N225-S229 WeakPolarHBondContact O-CB 3.42Å; N225-S229 PolarHBondContact O-N 2.73Å |
| 226 | L | 90.7 | Very high | 88.4 | Confident | 13 Ų | 13 | 66.7 Ų | 66.7 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.5 | -37.8 | 177.7 | -68.2 | 170.3 | 0 | 0 | 0 | 112.6 | H188 I222 L223 D242 L245 Q246 I249 | H188-L226 WeakPolarHBondContact CE1-CD2 3.24Å; I222-L226 HydrophobicContact CG2-CD1 4.4Å; I222-L226 WeakPolarHBondContact O-CG 3.19Å; I222-L226 PolarHBondContact O-N 3.31Å; L223-L226 PolarHBondContact O-N 3Å; L223-L226 VanDerWaalsContact O-N 3.1Å; L226-D242 HydrophobicContact CD2-CB 4.4Å; L226-L245 HydrophobicContact CD1-CB 4.33Å; L226-L245 HydrophobicContact CD1-CD2 3.73Å; L226-L245 HydrophobicContact CD1-CG 3.77Å; L226-L245 HydrophobicContact CD2-CD2 4.25Å; L226-Q246 HydrophobicContact CB-CG 4.08Å; L226-Q246 HydrophobicContact CD1-CG 3.97Å; L226-I249 HydrophobicContact CD1-CD1 3.93Å |
| 227 | I | 89.1 | Confident | 88.3 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -75.5 | -36.2 | 178.9 | -67.1 | 161.3 | 0 | 0 | 0 | 111.5 | L223 K224 I270 V274 | L223-I227 HydrophobicContact CD1-CD1 4.08Å; L223-I227 HydrophobicContact CG-CD1 3.97Å; L223-I227 WeakPolarHBondContact O-CG1 3.12Å; L223-I227 PolarHBondContact O-N 3.34Å; K224-I227 PolarHBondContact O-N 3.46Å; I227-I270 HydrophobicContact CD1-CD1 3.84Å; I227-I270 HydrophobicContact CD1-CG1 4.41Å; I227-V274 HydrophobicContact CD1-CB 3.65Å; I227-V274 HydrophobicContact CD1-CG2 3.59Å; I227-V274 HydrophobicContact CG1-CG2 4.31Å |
| 228 | M | 87.8 | Confident | 88 | Confident | 134 Ų | 134 | 69.4 Ų | 69.4 | 66% | 0.66 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -86.7 | -13.8 | 177.6 | -64.6 | -178.5 | 67.2 | 0 | 0 | 113.6 | K224 G230 | K224-M228 HydrophobicContact CG-SD 3.93Å; K224-M228 WeakPolarHBondContact O-CB 3.49Å; K224-M228 WeakPolarHBondContact O-CG 3.4Å; K224-M228 PolarHBondContact O-N 3.27Å; M228-G230 PolarHBondContact O-N 3.22Å |
| 229 | S | 81.5 | Confident | 87.8 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 43% | 0.427 | 38% | 0.378 | S | S | . | . | trans | -75.9 | 114.1 | 174 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | N225 S241 | N225-S229 WeakPolarHBondContact O-CA 3.23Å; N225-S229 WeakPolarHBondContact O-CB 3.42Å; N225-S229 PolarHBondContact O-N 2.73Å; S229-S241 PolarHBondContact O-OG 3.2Å | ||
| 230 | G | 71.6 | Confident | 87.7 | Confident | 57 Ų | 57 | 69.6 Ų | 69.6 | 59% | 0.588 | 38% | 0.382 | S | S | * | . | trans | -60.4 | -179.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M228 S232 S241 | M228-G230 PolarHBondContact O-N 3.22Å; G230-S232 PolarHBondContact O-N 3.46Å; G230-S241 PolarHBondContact O-OG 3.18Å | ||
| 231 | Y | 81.6 | Confident | 87.5 | Confident | 165 Ų | 165 | 69.2 Ų | 69.2 | 65% | 0.647 | 38% | 0.381 | S | S | * | . | trans | -39.3 | 119.9 | -171.8 | 179.6 | -108 | 0 | 0 | 0 | 115.3 | P233 D236 | Y231-P233 HydrophobicContact CD1-CG 4.29Å; Y231-P233 HydrophobicContact CE1-CB 4.27Å; Y231-P233 HydrophobicContact CE1-CG 3.77Å; Y231-D236 HydrophobicContact CD2-CB 3.67Å; Y231-D236 HydrophobicContact CE2-CB 3.67Å | ||
| 232 | S | 84.2 | Confident | 87.5 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | trans | -113.6 | 110.9 | 173.5 | -179 | 0 | 0 | 0 | 0 | 110.2 | G230 E234 H235 D236 | G230-S232 PolarHBondContact O-N 3.46Å; S232-E234 PolarHBondContact O-N 3.18Å; S232-H235 PolarHBondContact O-N 3.27Å; S232-D236 WeakPolarHBondContact O-CB 3.47Å; S232-D236 PolarHBondContact O-N 2.94Å | ||
| 233 | P | 83.3 | Confident | 87.6 | Confident | 104 Ų | 104 | 60.5 Ų | 60.5 | 68% | 0.675 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24 | -170.4 | -26.8 | 32.8 | 0 | 0 | 0 | 116.6 | Y231 | Y231-P233 HydrophobicContact CD1-CG 4.29Å; Y231-P233 HydrophobicContact CE1-CB 4.27Å; Y231-P233 HydrophobicContact CE1-CG 3.77Å |
| 234 | E | 84.8 | Confident | 87.7 | Confident | 166 Ų | 166 | 67.2 Ų | 67.2 | 78% | 0.776 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -16.6 | 179 | -64.5 | -166.7 | 177.5 | 0 | 0 | 113.7 | S232 | S232-E234 PolarHBondContact O-N 3.18Š|
| 235 | H | 86.9 | Confident | 87.8 | Confident | 51 Ų | 51 | 64.4 Ų | 64.4 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | -7.9 | -164.9 | -56.7 | -17.7 | 0 | 0 | 0 | 114.1 | H188 S232 D242 | H188-H235 AromaticContact CD2-CD2 3.57Å; H188-H235 AromaticContact CD2-NE2 3.8Å; H188-H235 AromaticContact CE1-CD2 3.69Å; H188-H235 AromaticContact CG-CD2 3.31Å; H188-H235 AromaticContact CG-NE2 3.59Å; H188-H235 AromaticContact ND1-CD2 3.4Å; H188-H235 PolarHBondContact ND1-CD2 3.39Å; H188-H235 AromaticContact NE2-CD2 3.81Å; S232-H235 PolarHBondContact O-N 3.27Å; H235-D242 HydrophobicContact CB-CB 4.18Å; H235-D242 WeakPolarHBondContact O-CA 3.33Å; H235-D242 PolarHBondContact O-N 3.35Å |
| 236 | D | 90.6 | Very high | 87.9 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 20% | 0.203 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -67.5 | 135.9 | 171.3 | -175.1 | 94.3 | 0 | 0 | 0 | 111.5 | Y231 S232 S238 G239 I240 | Y231-D236 HydrophobicContact CD2-CB 3.67Å; Y231-D236 HydrophobicContact CE2-CB 3.67Å; S232-D236 WeakPolarHBondContact O-CB 3.47Å; S232-D236 PolarHBondContact O-N 2.94Å; D236-S238 PolarHBondContact OD2-N 3.45Å; D236-G239 WeakPolarHBondContact OD1-CA 3.23Å; D236-G239 PolarHBondContact OD1-N 3.13Å; D236-G239 PolarHBondContact OD2-N 2.79Å; D236-I240 WeakPolarHBondContact CA-O 3.48Å; D236-I240 PolarHBondContact OD1-N 3.26Å; D236-I240 VanDerWaalsContact OD1-N 3.11Å |
| 237 | V | 90.3 | Very high | 88.2 | Confident | 58 Ų | 58 | 60.9 Ų | 60.9 | 35% | 0.352 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -129 | 94 | 165.8 | -169.5 | 0 | 0 | 0 | 0 | 109.8 | I240 P243 V284 | V237-I240 PolarHBondContact N-O 2.87Å; V237-P243 HydrophobicContact CB-CG 4.2Å; V237-P243 HydrophobicContact CG2-CG 4.07Å; V237-V284 HydrophobicContact CB-CG2 4.41Å; V237-V284 HydrophobicContact CG1-CG2 3.87Å |
| 238 | S | 86.7 | Confident | 88.6 | Confident | 77 Ų | 77 | 62.8 Ų | 62.8 | 54% | 0.538 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 66.6 | 42.6 | 178.6 | -50.9 | 0 | 0 | 0 | 0 | 114.2 | D236 | D236-S238 PolarHBondContact OD2-N 3.45Š|
| 239 | G | 85.6 | Confident | 89 | Confident | 59 Ų | 59 | 56.4 Ų | 56.4 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 89.8 | 10.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D236 | D236-G239 WeakPolarHBondContact OD1-CA 3.23Å; D236-G239 PolarHBondContact OD1-N 3.13Å; D236-G239 PolarHBondContact OD2-N 2.79Å |
| 240 | I | 90 | Very high | 89.7 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | trans | -125 | 117.7 | -178.3 | -63 | 178.4 | 0 | 0 | 0 | 109.9 | D236 V237 D242 P243 V284 I288 | D236-I240 WeakPolarHBondContact CA-O 3.48Å; D236-I240 PolarHBondContact OD1-N 3.26Å; D236-I240 VanDerWaalsContact OD1-N 3.11Å; V237-I240 PolarHBondContact N-O 2.87Å; I240-D242 PolarHBondContact O-N 2.96Å; I240-P243 HydrophobicContact CG2-CB 4.27Å; I240-V284 HydrophobicContact CB-CG1 4.08Å; I240-V284 HydrophobicContact CD1-CB 4.18Å; I240-V284 HydrophobicContact CD1-CG1 3.92Å; I240-V284 HydrophobicContact CG2-CG1 4.1Å; I240-I288 HydrophobicContact CG2-CD1 3.52Å | ||
| 241 | S | 90.5 | Very high | 90.8 | Very high | 9 Ų | 9 | 54.8 Ų | 54.8 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -73.5 | 111.1 | -179.3 | -64.8 | 0 | 0 | 0 | 0 | 113 | S229 G230 Q246 | S229-S241 PolarHBondContact O-OG 3.2Å; G230-S241 PolarHBondContact O-OG 3.18Å; S241-Q246 PolarHBondContact O-NE2 3.46Å |
| 242 | D | 92.6 | Very high | 91.5 | Very high | 16 Ų | 16 | 47 Ų | 47 | 9% | 0.086 | 26% | 0.257 | C | S | . | . | trans | 48 | 68 | 177 | -160.3 | -14.5 | 0 | 0 | 0 | 115.7 | H188 L226 H235 I240 F244 L245 Q246 | H188-D242 WeakPolarHBondContact CB-OD2 3.3Å; H188-D242 IonicContact CE1-OD2 3.66Å; H188-D242 IonicContact CG-OD2 2.63Å; H188-D242 IonicContact ND1-OD2 2.69Å; H188-D242 PolarHBondContact ND1-OD2 3.17Å; L226-D242 HydrophobicContact CD2-CB 4.4Å; H235-D242 HydrophobicContact CB-CB 4.18Å; H235-D242 WeakPolarHBondContact O-CA 3.33Å; H235-D242 PolarHBondContact O-N 3.35Å; I240-D242 PolarHBondContact O-N 2.96Å; D242-F244 PolarHBondContact O-N 3.06Å; D242-F244 PolarHBondContact OD1-N 3.41Å; D242-L245 HydrophobicContact CB-CB 4.16Å; D242-L245 PolarHBondContact O-N 2.86Å; D242-L245 WeakPolarHBondContact OD1-CB 3.31Å; D242-L245 PolarHBondContact OD1-N 3.44Å; D242-L245 VanDerWaalsContact OD2-CB 3.23Å; D242-L245 WeakPolarHBondContact OD2-CB 3.22Å; D242-Q246 WeakPolarHBondContact O-CG 3.45Å; D242-Q246 PolarHBondContact O-N 2.87Å; D242-Q246 VanDerWaalsContact O-N 3.11Å | ||
| 243 | P | 94 | Very high | 92 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 8% | 0.078 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.8 | -27.2 | 179 | 27.7 | -37.5 | 0 | 0 | 0 | 113.4 | V237 I240 V247 V284 I288 | V237-P243 HydrophobicContact CB-CG 4.2Å; V237-P243 HydrophobicContact CG2-CG 4.07Å; I240-P243 HydrophobicContact CG2-CB 4.27Å; P243-V247 WeakPolarHBondContact O-CB 3.45Å; P243-V247 WeakPolarHBondContact O-CG2 3.46Å; P243-V247 PolarHBondContact O-N 3.38Å; P243-V284 HydrophobicContact CB-CG1 3.43Å; P243-V284 VanDerWaalsContact CB-CG1 3.43Å; P243-V284 HydrophobicContact CG-CG1 3.61Å; P243-I288 HydrophobicContact CB-CD1 3.89Å; P243-I288 HydrophobicContact CB-CG1 4.26Å |
| 244 | F | 95.6 | Very high | 92.5 | Very high | 142 Ų | 142 | 42.2 Ų | 42.2 | 62% | 0.623 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -69.9 | -44.9 | 179.7 | -61.5 | -75 | 0 | 0 | 0 | 111.2 | D242 R248 | D242-F244 PolarHBondContact O-N 3.06Å; D242-F244 PolarHBondContact OD1-N 3.41Å; F244-R248 WeakPolarHBondContact O-CG 3.48Å; F244-R248 PolarHBondContact O-N 3.1Å; F244-R248 VanDerWaalsContact O-N 3.1Å |
| 245 | L | 94.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.6 | -41.6 | 174.4 | 179.8 | 57.5 | 0 | 0 | 0 | 111.7 | L191 H192 V195 L226 D242 V247 R248 I249 | L191-L245 HydrophobicContact CD2-CD2 3.99Å; L191-L245 HydrophobicContact CG-CD1 4.17Å; L191-L245 HydrophobicContact CG-CD2 4.28Å; H192-L245 HydrophobicContact CB-CD1 4.13Å; V195-L245 HydrophobicContact CG2-CD1 4.31Å; L226-L245 HydrophobicContact CD1-CB 4.33Å; L226-L245 HydrophobicContact CD1-CD2 3.73Å; L226-L245 HydrophobicContact CD1-CG 3.77Å; L226-L245 HydrophobicContact CD2-CD2 4.25Å; D242-L245 HydrophobicContact CB-CB 4.16Å; D242-L245 PolarHBondContact O-N 2.86Å; D242-L245 WeakPolarHBondContact OD1-CB 3.31Å; D242-L245 PolarHBondContact OD1-N 3.44Å; D242-L245 VanDerWaalsContact OD2-CB 3.23Å; D242-L245 WeakPolarHBondContact OD2-CB 3.22Å; L245-V247 PolarHBondContact O-N 2.77Å; L245-R248 PolarHBondContact O-N 3.11Å; L245-I249 HydrophobicContact CD1-CD1 3.9Å; L245-I249 HydrophobicContact CD1-CG1 4.06Å; L245-I249 HydrophobicContact CG-CD1 3.85Å; L245-I249 HydrophobicContact CG-CG1 4.44Å; L245-I249 WeakPolarHBondContact O-CG1 3.31Å; L245-I249 PolarHBondContact O-N 2.77Å |
| 246 | Q | 94.8 | Very high | 93.2 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.8 | -51 | 176.1 | -68 | -171.5 | 38.4 | 0 | 0 | 111.9 | L223 L226 S241 D242 R248 I249 L250 I288 | L223-Q246 HydrophobicContact CD1-CB 3.99Å; L223-Q246 HydrophobicContact CD1-CG 3.84Å; L226-Q246 HydrophobicContact CB-CG 4.08Å; L226-Q246 HydrophobicContact CD1-CG 3.97Å; S241-Q246 PolarHBondContact O-NE2 3.46Å; D242-Q246 WeakPolarHBondContact O-CG 3.45Å; D242-Q246 PolarHBondContact O-N 2.87Å; D242-Q246 VanDerWaalsContact O-N 3.11Å; Q246-R248 VanDerWaalsContact C-N 3.3Å; Q246-R248 PolarHBondContact O-N 3.28Å; Q246-I249 PolarHBondContact O-N 3.23Å; Q246-L250 WeakPolarHBondContact O-CG 3.37Å; Q246-L250 PolarHBondContact O-N 3.19Å; Q246-I288 HydrophobicContact CB-CG1 4.37Å |
| 247 | V | 96.9 | Very high | 93.1 | Very high | 29 Ų | 29 | 31.7 Ų | 31.7 | 18% | 0.176 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.8 | -36.5 | 177.2 | 167.7 | 0 | 0 | 0 | 0 | 112.1 | P243 L245 R251 I288 E291 | P243-V247 WeakPolarHBondContact O-CB 3.45Å; P243-V247 WeakPolarHBondContact O-CG2 3.46Å; P243-V247 PolarHBondContact O-N 3.38Å; L245-V247 PolarHBondContact O-N 2.77Å; V247-R251 WeakPolarHBondContact O-CB 3.36Å; V247-R251 PolarHBondContact O-N 2.58Å; V247-I288 HydrophobicContact CG2-CG1 4.11Å; V247-E291 HydrophobicContact CG1-CB 4.13Å; V247-E291 HydrophobicContact CG1-CG 3.99Å; V247-E291 HydrophobicContact CG2-CB 4.36Å |
| 248 | R | 96.4 | Very high | 92.9 | Very high | 81 Ų | 81 | 34.8 Ų | 34.8 | 31% | 0.306 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -69.5 | -38.9 | 175.2 | -70.3 | -58 | -177.7 | 173 | -6.5 | 113.2 | H192 V195 V196 F244 L245 Q246 R251 L252 | H192-R248 WeakPolarHBondContact NE2-CG 3.47Å; V195-R248 HydrophobicContact CG1-CB 3.77Å; V195-R248 WeakPolarHBondContact CG1-O 3.37Å; V196-R248 HydrophobicContact CG2-CG 4.07Å; F244-R248 WeakPolarHBondContact O-CG 3.48Å; F244-R248 PolarHBondContact O-N 3.1Å; F244-R248 VanDerWaalsContact O-N 3.1Å; L245-R248 PolarHBondContact O-N 3.11Å; Q246-R248 VanDerWaalsContact C-N 3.3Å; Q246-R248 PolarHBondContact O-N 3.28Å; R248-R251 PolarHBondContact O-N 2.66Å; R248-L252 PolarHBondContact O-N 3.41Å |
| 249 | I | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.4 | -45.6 | 176.1 | -65.5 | 165.3 | 0 | 0 | 0 | 110 | V195 L219 I222 L223 L226 L245 Q246 R251 L252 L253 | V195-I249 HydrophobicContact CG1-CG1 4.33Å; V195-I249 HydrophobicContact CG2-CG1 4.16Å; L219-I249 HydrophobicContact CB-CG2 4.2Å; I222-I249 HydrophobicContact CG2-CD1 3.7Å; L223-I249 HydrophobicContact CB-CG2 4.12Å; L223-I249 HydrophobicContact CD2-CG2 4.27Å; L226-I249 HydrophobicContact CD1-CD1 3.93Å; L245-I249 HydrophobicContact CD1-CD1 3.9Å; L245-I249 HydrophobicContact CD1-CG1 4.06Å; L245-I249 HydrophobicContact CG-CD1 3.85Å; L245-I249 HydrophobicContact CG-CG1 4.44Å; L245-I249 WeakPolarHBondContact O-CG1 3.31Å; L245-I249 PolarHBondContact O-N 2.77Å; Q246-I249 PolarHBondContact O-N 3.23Å; I249-R251 VanDerWaalsContact C-N 3.34Å; I249-R251 PolarHBondContact O-N 2.78Å; I249-L252 PolarHBondContact O-N 2.96Å; I249-L253 HydrophobicContact CG2-CD1 3.92Å; I249-L253 HydrophobicContact CG2-CG 4.2Å; I249-L253 WeakPolarHBondContact O-CB 3.38Å; I249-L253 VanDerWaalsContact O-CG 3.31Å; I249-L253 WeakPolarHBondContact O-CG 3.49Å; I249-L253 PolarHBondContact O-N 3.28Å |
| 250 | L | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.9 | -46.3 | 174.9 | -72.2 | 166.9 | 0 | 0 | 0 | 111.9 | L223 Q246 L252 L253 R254 L271 I288 E291 T292 T295 | L223-L250 HydrophobicContact CD2-CD2 3.89Å; L223-L250 HydrophobicContact CD2-CG 4.22Å; Q246-L250 WeakPolarHBondContact O-CG 3.37Å; Q246-L250 PolarHBondContact O-N 3.19Å; L250-L252 PolarHBondContact O-N 2.67Å; L250-L253 WeakPolarHBondContact O-CB 3.22Å; L250-L253 PolarHBondContact O-N 3.26Å; L250-R254 PolarHBondContact O-N 3.14Å; L250-L271 HydrophobicContact CD2-CD2 3.66Å; L250-I288 HydrophobicContact CD1-CG2 4.09Å; L250-E291 HydrophobicContact CB-CB 4.4Å; L250-E291 HydrophobicContact CB-CG 3.89Å; L250-E291 HydrophobicContact CD1-CB 4.38Å; L250-T292 WeakPolarHBondContact CD1-OG1 3.45Å; L250-T295 PolarHBondContact O-OG1 3.19Å |
| 251 | R | 96.3 | Very high | 92.9 | Very high | 84 Ų | 84 | 37.4 Ų | 37.4 | 32% | 0.317 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 176.9 | -169.1 | 169.1 | -63.9 | -173.9 | 5.7 | 113.4 | V247 R248 I249 R254 I255 E291 | V247-R251 WeakPolarHBondContact O-CB 3.36Å; V247-R251 PolarHBondContact O-N 2.58Å; R248-R251 PolarHBondContact O-N 2.66Å; I249-R251 VanDerWaalsContact C-N 3.34Å; I249-R251 PolarHBondContact O-N 2.78Å; R251-R254 PolarHBondContact O-N 2.88Å; R251-I255 WeakPolarHBondContact O-CG1 3.27Å; R251-I255 PolarHBondContact O-N 3.35Å; R251-E291 HydrophobicContact CB-CG 4.42Å; R251-E291 WeakPolarHBondContact CB-OE1 3.47Å; R251-E291 WeakPolarHBondContact CG-OE1 3.5Å; R251-E291 IonicContact CZ-OE1 2.86Å; R251-E291 IonicContact CZ-OE2 3.08Å; R251-E291 IonicContact NE-OE1 2.73Å; R251-E291 PolarHBondContact NE-OE1 3.06Å; R251-E291 IonicContact NE-OE2 3.83Å; R251-E291 PolarHBondContact NE-OE2 3.11Å; R251-E291 IonicContact NH2-OE1 2.7Å; R251-E291 PolarHBondContact NH2-OE1 2.65Å; R251-E291 IonicContact NH2-OE2 3.2Å; R251-E291 PolarHBondContact NH2-OE2 2.96Å |
| 252 | L | 95.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67 | -42.7 | 175.9 | 176.9 | 57.9 | 0 | 0 | 0 | 111.3 | V195 L198 C202 L219 R248 I249 L250 R254 I255 L256 | V195-L252 HydrophobicContact CG1-CB 4.12Å; V195-L252 HydrophobicContact CG1-CD2 3.9Å; L198-L252 HydrophobicContact CB-CD1 4.21Å; L198-L252 HydrophobicContact CB-CD2 3.85Å; L198-L252 HydrophobicContact CD1-CD2 4.2Å; C202-L252 HydrophobicContact CB-CD1 4.4Å; L219-L252 HydrophobicContact CD1-CD2 3.64Å; L219-L252 HydrophobicContact CD1-CG 4.13Å; L219-L252 HydrophobicContact CD2-CD2 4.22Å; R248-L252 PolarHBondContact O-N 3.41Å; I249-L252 PolarHBondContact O-N 2.96Å; L250-L252 PolarHBondContact O-N 2.67Å; L252-R254 VanDerWaalsContact C-N 3.35Å; L252-R254 PolarHBondContact O-N 2.87Å; L252-I255 PolarHBondContact O-N 2.93Å; L252-L256 HydrophobicContact CD1-CD1 3.87Å; L252-L256 HydrophobicContact CD1-CG 4.16Å; L252-L256 HydrophobicContact CG-CD1 3.8Å; L252-L256 WeakPolarHBondContact O-CG 3.4Å; L252-L256 PolarHBondContact O-N 3.33Å |
| 253 | L | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.3 | -44.6 | 174.3 | -73.5 | 174.4 | 0 | 0 | 0 | 111.5 | V216 L219 V220 L223 I249 L250 I255 L256 G257 M267 T295 | V216-L253 HydrophobicContact CB-CD2 4.44Å; V216-L253 HydrophobicContact CG1-CD2 3.82Å; V216-L253 HydrophobicContact CG2-CD2 4.21Å; L219-L253 HydrophobicContact CB-CD2 4.33Å; V220-L253 HydrophobicContact CG2-CD1 4.48Å; V220-L253 HydrophobicContact CG2-CD2 4.19Å; L223-L253 HydrophobicContact CD2-CD1 4.16Å; I249-L253 HydrophobicContact CG2-CD1 3.92Å; I249-L253 HydrophobicContact CG2-CG 4.2Å; I249-L253 WeakPolarHBondContact O-CB 3.38Å; I249-L253 VanDerWaalsContact O-CG 3.31Å; I249-L253 WeakPolarHBondContact O-CG 3.49Å; I249-L253 PolarHBondContact O-N 3.28Å; L250-L253 WeakPolarHBondContact O-CB 3.22Å; L250-L253 PolarHBondContact O-N 3.26Å; L253-I255 VanDerWaalsContact C-N 3.32Å; L253-I255 PolarHBondContact O-N 3.21Å; L253-L256 PolarHBondContact O-N 3.46Å; L253-G257 PolarHBondContact O-N 3.19Å; L253-M267 HydrophobicContact CB-CE 4.13Å; L253-M267 HydrophobicContact CB-SD 3.76Å; L253-M267 HydrophobicContact CD2-CB 4.45Å; L253-M267 HydrophobicContact CD2-CE 3.96Å; L253-M267 HydrophobicContact CD2-SD 4.27Å; L253-M267 HydrophobicContact CG-SD 4.44Å; L253-M267 WeakPolarHBondContact O-CE 3.5Å; L253-T295 HydrophobicContact CB-CG2 4.44Å |
| 254 | R | 94 | Very high | 92.7 | Very high | 36 Ų | 36 | 42.8 Ų | 42.8 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.8 | -44.6 | 175.9 | -168.9 | 170.6 | 85.5 | -124.8 | -8.7 | 113.1 | L250 R251 L252 K258 E291 L294 T295 D298 I299 | L250-R254 PolarHBondContact O-N 3.14Å; R251-R254 PolarHBondContact O-N 2.88Å; L252-R254 VanDerWaalsContact C-N 3.35Å; L252-R254 PolarHBondContact O-N 2.87Å; R254-K258 WeakPolarHBondContact O-CB 3.4Å; R254-K258 PolarHBondContact O-N 3.47Å; R254-E291 IonicContact CZ-OE1 3.03Å; R254-E291 IonicContact NH1-OE1 2.68Å; R254-E291 PolarHBondContact NH1-OE1 2.86Å; R254-E291 IonicContact NH2-OE1 3.62Å; R254-L294 WeakPolarHBondContact CD-O 3.4Å; R254-T295 HydrophobicContact CB-CG2 3.92Å; R254-D298 WeakPolarHBondContact CD-OD2 3.27Å; R254-D298 HydrophobicContact CG-CB 3.5Å; R254-D298 VanDerWaalsContact CG-CB 3.5Å; R254-D298 IonicContact CZ-OD2 2.66Å; R254-D298 IonicContact NE-OD2 2.98Å; R254-D298 PolarHBondContact NE-OD2 2.9Å; R254-I299 HydrophobicContact CG-CG2 4.46Å; R254-I299 WeakPolarHBondContact O-CG2 3.03Å |
| 255 | I | 93.4 | Very high | 92.5 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 17% | 0.174 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.4 | -39.7 | -179.4 | -66.1 | 167.8 | 0 | 0 | 0 | 110.7 | T199 C202 L209 R251 L252 L253 | T199-I255 HydrophobicContact CG2-CD1 3.82Å; C202-I255 HydrophobicContact CB-CG2 3.93Å; L209-I255 HydrophobicContact CD2-CG2 3.76Å; R251-I255 WeakPolarHBondContact O-CG1 3.27Å; R251-I255 PolarHBondContact O-N 3.35Å; L252-I255 PolarHBondContact O-N 2.93Å; L253-I255 VanDerWaalsContact C-N 3.32Å; L253-I255 PolarHBondContact O-N 3.21Å |
| 256 | L | 92.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.6 | -43.1 | 179.6 | -70.6 | 166.2 | 0 | 0 | 0 | 112.5 | L209 F212 R213 V216 L219 L252 L253 | L209-L256 HydrophobicContact CD2-CD2 4.16Å; F212-L256 HydrophobicContact CB-CD2 4.15Å; R213-L256 HydrophobicContact CG-CB 4.28Å; R213-L256 HydrophobicContact CG-CD2 3.96Å; R213-L256 PolarHBondContact NE-O 3.33Å; R213-L256 PolarHBondContact NH2-O 2.96Å; V216-L256 HydrophobicContact CG2-CB 4.07Å; V216-L256 HydrophobicContact CG2-CD1 3.71Å; V216-L256 HydrophobicContact CG2-CG 4.45Å; L219-L256 HydrophobicContact CD1-CD1 4.08Å; L252-L256 HydrophobicContact CD1-CD1 3.87Å; L252-L256 HydrophobicContact CD1-CG 4.16Å; L252-L256 HydrophobicContact CG-CD1 3.8Å; L252-L256 WeakPolarHBondContact O-CG 3.4Å; L252-L256 PolarHBondContact O-N 3.33Å; L253-L256 PolarHBondContact O-N 3.46Å |
| 257 | G | 87.6 | Confident | 92.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -85.3 | -7.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | L253 S259 D260 S264 | L253-G257 PolarHBondContact O-N 3.19Å; G257-S259 PolarHBondContact O-N 2.89Å; G257-D260 PolarHBondContact O-N 3.41Å; G257-S264 PolarHBondContact O-OG 3.49Å; G257-S264 VanDerWaalsContact O-OG 3.12Å |
| 258 | K | 86.6 | Confident | 92.1 | Very high | 122 Ų | 122 | 43.2 Ų | 43.2 | 53% | 0.53 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -18.8 | -172.6 | -175.6 | 162 | -177.2 | 172 | 0 | 115.5 | R254 | R254-K258 WeakPolarHBondContact O-CB 3.4Å; R254-K258 PolarHBondContact O-N 3.47Å |
| 259 | S | 84.3 | Confident | 91.9 | Very high | 88 Ų | 88 | 43.8 Ų | 43.8 | 62% | 0.615 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -149.5 | 39.4 | 176.4 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | G257 | G257-S259 PolarHBondContact O-N 2.89Š|
| 260 | D | 89.2 | Confident | 91.8 | Very high | 33 Ų | 33 | 43.8 Ų | 43.8 | 18% | 0.176 | 23% | 0.228 | C | C | . | . | trans | -149 | 117 | -171.6 | -167.1 | 92.4 | 0 | 0 | 0 | 111.5 | R213 G257 S263 S264 | R213-D260 VanDerWaalsContact CD-OD1 3.29Å; R213-D260 WeakPolarHBondContact CD-OD1 3.32Å; R213-D260 IonicContact CZ-OD1 2.67Å; R213-D260 VanDerWaalsContact CZ-OD1 3.29Å; R213-D260 IonicContact NE-OD1 3.71Å; R213-D260 PolarHBondContact NE-OD1 3.17Å; R213-D260 IonicContact NH1-OD1 2.94Å; R213-D260 PolarHBondContact NH1-OD1 3.22Å; G257-D260 PolarHBondContact O-N 3.41Å; D260-S263 WeakPolarHBondContact CB-OG 3.29Å; D260-S263 WeakPolarHBondContact OD2-CB 3.28Å; D260-S263 PolarHBondContact OD2-N 3.49Å; D260-S263 PolarHBondContact OD2-OG 2.91Å; D260-S264 VanDerWaalsContact O-CB 3.27Å; D260-S264 WeakPolarHBondContact O-CB 3.46Å; D260-S264 PolarHBondContact O-N 2.91Å; D260-S264 PolarHBondContact O-OG 3.32Å | ||
| 261 | D | 89.6 | Confident | 91.7 | Very high | 90 Ų | 90 | 43.8 Ų | 43.8 | 48% | 0.481 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -85.2 | -39.3 | -164.4 | -55.6 | 3.6 | 0 | 0 | 0 | 109.5 | S264 E265 K300 | D261-S264 PolarHBondContact O-N 2.95Å; D261-E265 PolarHBondContact O-N 3.5Å; D261-K300 VanDerWaalsContact CG-NZ 3.29Å; D261-K300 WeakPolarHBondContact OD1-CD 3.48Å; D261-K300 WeakPolarHBondContact OD1-CE 3.37Å; D261-K300 IonicContact OD1-NZ 3.95Å; D261-K300 PolarHBondContact OD1-NZ 3.25Å; D261-K300 IonicContact OD2-NZ 3.63Å; D261-K300 PolarHBondContact OD2-NZ 3.08Å |
| 262 | D | 90.3 | Very high | 91.6 | Very high | 143 Ų | 143 | 41.6 Ų | 41.6 | 77% | 0.765 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -60.4 | -48.1 | 175.1 | -71.2 | -19.7 | 0 | 0 | 0 | 112.7 | E265 A266 | D262-E265 PolarHBondContact O-N 3.26Å; D262-A266 WeakPolarHBondContact O-CB 3.21Å; D262-A266 PolarHBondContact O-N 3.31Å |
| 263 | S | 90.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.4 | -27.5 | 178.7 | 65 | 0 | 0 | 0 | 0 | 113.1 | D260 M267 | D260-S263 WeakPolarHBondContact CB-OG 3.29Å; D260-S263 WeakPolarHBondContact OD2-CB 3.28Å; D260-S263 PolarHBondContact OD2-N 3.49Å; D260-S263 PolarHBondContact OD2-OG 2.91Å; S263-M267 WeakPolarHBondContact O-CE 3.36Å; S263-M267 WeakPolarHBondContact O-CG 3.34Å; S263-M267 PolarHBondContact O-N 3.33Å |
| 264 | S | 91.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 169.5 | -64.9 | 0 | 0 | 0 | 0 | 111 | G257 D260 D261 M267 N268 | G257-S264 PolarHBondContact O-OG 3.49Å; G257-S264 VanDerWaalsContact O-OG 3.12Å; D260-S264 VanDerWaalsContact O-CB 3.27Å; D260-S264 WeakPolarHBondContact O-CB 3.46Å; D260-S264 PolarHBondContact O-N 2.91Å; D260-S264 PolarHBondContact O-OG 3.32Å; D261-S264 PolarHBondContact O-N 2.95Å; S264-M267 CarbonylContact O-C 3.6Å; S264-M267 WeakPolarHBondContact O-CG 3.49Å; S264-M267 PolarHBondContact O-N 3.37Å; S264-M267 VanDerWaalsContact O-N 3.13Å; S264-N268 VanDerWaalsContact O-CG 3.3Å; S264-N268 PolarHBondContact O-N 3.17Å; S264-N268 PolarHBondContact O-OD1 2.87Å |
| 265 | E | 91.4 | Very high | 91.3 | Very high | 130 Ų | 130 | 42.2 Ų | 42.2 | 61% | 0.607 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -65.2 | -41.4 | 177 | -173.9 | 62.2 | -176.3 | 0 | 0 | 111.9 | D261 D262 M267 N268 | D261-E265 PolarHBondContact O-N 3.5Å; D262-E265 PolarHBondContact O-N 3.26Å; E265-M267 PolarHBondContact O-N 2.81Å; E265-N268 PolarHBondContact O-N 3.43Å; E265-N268 VanDerWaalsContact O-N 3.13Å; E265-N268 PolarHBondContact OE2-ND2 2.97Å |
| 266 | A | 91.6 | Very high | 91.2 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 36% | 0.355 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.5 | -16.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V216 D262 | V216-A266 HydrophobicContact CG1-CB 4.28Å; D262-A266 WeakPolarHBondContact O-CB 3.21Å; D262-A266 PolarHBondContact O-N 3.31Å |
| 267 | M | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -110.3 | -7.5 | 175 | 70.5 | -179.9 | 85.2 | 0 | 0 | 114.8 | V216 V220 L253 S263 S264 E265 D269 I270 L271 I299 | V216-M267 HydrophobicContact CG1-CE 4.17Å; V220-M267 HydrophobicContact CG2-CB 3.95Å; L253-M267 HydrophobicContact CB-CE 4.13Å; L253-M267 HydrophobicContact CB-SD 3.76Å; L253-M267 HydrophobicContact CD2-CB 4.45Å; L253-M267 HydrophobicContact CD2-CE 3.96Å; L253-M267 HydrophobicContact CD2-SD 4.27Å; L253-M267 HydrophobicContact CG-SD 4.44Å; L253-M267 WeakPolarHBondContact O-CE 3.5Å; S263-M267 WeakPolarHBondContact O-CE 3.36Å; S263-M267 WeakPolarHBondContact O-CG 3.34Å; S263-M267 PolarHBondContact O-N 3.33Å; S264-M267 CarbonylContact O-C 3.6Å; S264-M267 WeakPolarHBondContact O-CG 3.49Å; S264-M267 PolarHBondContact O-N 3.37Å; S264-M267 VanDerWaalsContact O-N 3.13Å; E265-M267 PolarHBondContact O-N 2.81Å; M267-D269 PolarHBondContact O-N 3.28Å; M267-I270 HydrophobicContact CB-CG2 4.26Å; M267-I270 VanDerWaalsContact O-CG2 3.25Å; M267-I270 WeakPolarHBondContact O-CG2 3.48Å; M267-I270 PolarHBondContact O-N 3.07Å; M267-L271 HydrophobicContact CB-CD1 4.44Å; M267-L271 HydrophobicContact CG-CD1 3.84Å; M267-L271 WeakPolarHBondContact O-CB 3.33Å; M267-L271 VanDerWaalsContact O-CG 3.31Å; M267-L271 WeakPolarHBondContact O-CG 3.44Å; M267-L271 PolarHBondContact O-N 3.31Å; M267-L271 HydrophobicContact SD-CD1 4.13Å; M267-I299 HydrophobicContact CG-CD1 4.09Å; M267-I299 HydrophobicContact SD-CD1 3.67Å |
| 268 | N | 92.8 | Very high | 91.1 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 8% | 0.075 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.8 | -42 | -178.3 | -83 | -27.4 | 0 | 0 | 0 | 112.4 | S264 E265 I270 L271 A272 | S264-N268 VanDerWaalsContact O-CG 3.3Å; S264-N268 PolarHBondContact O-N 3.17Å; S264-N268 PolarHBondContact O-OD1 2.87Å; E265-N268 PolarHBondContact O-N 3.43Å; E265-N268 VanDerWaalsContact O-N 3.13Å; E265-N268 PolarHBondContact OE2-ND2 2.97Å; N268-I270 PolarHBondContact O-N 3.17Å; N268-L271 PolarHBondContact O-N 2.75Å; N268-A272 WeakPolarHBondContact O-CB 3.46Å; N268-A272 PolarHBondContact O-N 3.34Å |
| 269 | D | 91.8 | Very high | 91.2 | Very high | 93 Ų | 93 | 51 Ų | 51 | 50% | 0.497 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.3 | -49 | 174.9 | 167.6 | 74.2 | 0 | 0 | 0 | 112.5 | K224 M267 A272 Q273 | K224-D269 IonicContact NZ-OD1 2.72Å; K224-D269 IonicContact NZ-OD2 2.9Å; K224-D269 PolarHBondContact NZ-OD2 3.49Å; M267-D269 PolarHBondContact O-N 3.28Å; D269-A272 PolarHBondContact O-N 2.84Å; D269-Q273 WeakPolarHBondContact O-CB 3.44Å; D269-Q273 PolarHBondContact O-N 2.67Å |
| 270 | I | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74.2 | -30.4 | -177.1 | -166.1 | 56.8 | 0 | 0 | 0 | 112.3 | V220 L223 K224 I227 M267 N268 Q273 V274 | V220-I270 HydrophobicContact CB-CG2 4.33Å; V220-I270 HydrophobicContact CG1-CB 4.01Å; V220-I270 HydrophobicContact CG1-CG2 3.79Å; V220-I270 HydrophobicContact CG2-CG2 3.96Å; L223-I270 HydrophobicContact CB-CG1 4.26Å; L223-I270 HydrophobicContact CD2-CG1 3.85Å; L223-I270 HydrophobicContact CD2-CG2 4.43Å; L223-I270 HydrophobicContact CG-CG1 3.9Å; K224-I270 HydrophobicContact CB-CD1 3.73Å; K224-I270 HydrophobicContact CD-CD1 4.24Å; K224-I270 HydrophobicContact CG-CD1 3.97Å; I227-I270 HydrophobicContact CD1-CD1 3.84Å; I227-I270 HydrophobicContact CD1-CG1 4.41Å; M267-I270 HydrophobicContact CB-CG2 4.26Å; M267-I270 VanDerWaalsContact O-CG2 3.25Å; M267-I270 WeakPolarHBondContact O-CG2 3.48Å; M267-I270 PolarHBondContact O-N 3.07Å; N268-I270 PolarHBondContact O-N 3.17Å; I270-Q273 HydrophobicContact CD1-CB 4.28Å; I270-Q273 PolarHBondContact O-N 3.23Å; I270-V274 WeakPolarHBondContact O-CB 3.46Å; I270-V274 WeakPolarHBondContact O-CG1 3.46Å; I270-V274 PolarHBondContact O-N 2.92Å |
| 271 | L | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 173 | -71 | 172.8 | 0 | 0 | 0 | 111.4 | L250 M267 N268 A275 T292 T295 I296 I299 L305 | L250-L271 HydrophobicContact CD2-CD2 3.66Å; M267-L271 HydrophobicContact CB-CD1 4.44Å; M267-L271 HydrophobicContact CG-CD1 3.84Å; M267-L271 WeakPolarHBondContact O-CB 3.33Å; M267-L271 VanDerWaalsContact O-CG 3.31Å; M267-L271 WeakPolarHBondContact O-CG 3.44Å; M267-L271 PolarHBondContact O-N 3.31Å; M267-L271 HydrophobicContact SD-CD1 4.13Å; N268-L271 PolarHBondContact O-N 2.75Å; L271-A275 WeakPolarHBondContact O-CB 3.48Å; L271-A275 PolarHBondContact O-N 3.42Å; L271-T292 HydrophobicContact CD2-CG2 4.08Å; L271-T295 HydrophobicContact CD1-CG2 4.05Å; L271-T295 HydrophobicContact CD2-CG2 3.77Å; L271-I296 HydrophobicContact CB-CD1 4.48Å; L271-I296 HydrophobicContact CB-CG1 4.17Å; L271-I296 HydrophobicContact CD1-CG1 4.14Å; L271-I296 HydrophobicContact CD2-CG1 4.4Å; L271-I296 HydrophobicContact CG-CG1 4.48Å; L271-I299 HydrophobicContact CD1-CD1 3.68Å; L271-L305 HydrophobicContact CB-CD2 3.86Å |
| 272 | A | 92.9 | Very high | 91.2 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 31% | 0.314 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N268 D269 A275 T276 L305 | N268-A272 WeakPolarHBondContact O-CB 3.46Å; N268-A272 PolarHBondContact O-N 3.34Å; D269-A272 PolarHBondContact O-N 2.84Å; A272-A275 PolarHBondContact O-N 3.19Å; A272-T276 WeakPolarHBondContact O-CB 3.48Å; A272-T276 WeakPolarHBondContact O-CG2 3.45Å; A272-T276 PolarHBondContact O-N 2.91Å; A272-T276 VanDerWaalsContact O-N 3.15Å; A272-T276 PolarHBondContact O-OG1 2.75Å; A272-L305 HydrophobicContact CB-CD1 4.17Å |
| 273 | Q | 92.6 | Very high | 91.3 | Very high | 38 Ų | 38 | 49.5 Ų | 49.5 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 178.3 | -171.7 | -176.8 | -0.2 | 0 | 0 | 112.1 | D269 I270 T276 N277 | D269-Q273 WeakPolarHBondContact O-CB 3.44Å; D269-Q273 PolarHBondContact O-N 2.67Å; I270-Q273 HydrophobicContact CD1-CB 4.28Å; I270-Q273 PolarHBondContact O-N 3.23Å; Q273-T276 PolarHBondContact O-OG1 3.18Å; Q273-N277 WeakPolarHBondContact CG-ND2 3.29Å; Q273-N277 WeakPolarHBondContact O-CB 3.32Å; Q273-N277 PolarHBondContact O-N 3.05Å; Q273-N277 PolarHBondContact O-ND2 3.12Å |
| 274 | V | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -74.2 | -34.2 | 179.1 | 77.1 | 0 | 0 | 0 | 0 | 111.7 | I227 I270 T276 T278 I288 T292 | I227-V274 HydrophobicContact CD1-CB 3.65Å; I227-V274 HydrophobicContact CD1-CG2 3.59Å; I227-V274 HydrophobicContact CG1-CG2 4.31Å; I270-V274 WeakPolarHBondContact O-CB 3.46Å; I270-V274 WeakPolarHBondContact O-CG1 3.46Å; I270-V274 PolarHBondContact O-N 2.92Å; V274-T276 PolarHBondContact O-N 2.94Å; V274-T278 VanDerWaalsContact CG2-OG1 3.29Å; V274-T278 WeakPolarHBondContact CG2-OG1 3.35Å; V274-T278 VanDerWaalsContact O-CB 3.25Å; V274-T278 WeakPolarHBondContact O-CB 3.09Å; V274-T278 PolarHBondContact O-N 3.47Å; V274-T278 PolarHBondContact O-OG1 2.87Å; V274-I288 HydrophobicContact CG2-CG2 3.73Å; V274-T292 HydrophobicContact CG1-CG2 3.48Å; V274-T292 VanDerWaalsContact CG1-CG2 3.48Å; V274-T292 WeakPolarHBondContact CG1-OG1 3.38Å |
| 275 | A | 92.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 50.5 Ų | 50.5 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -25.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L271 A272 L289 T292 L308 I312 | L271-A275 WeakPolarHBondContact O-CB 3.48Å; L271-A275 PolarHBondContact O-N 3.42Å; A272-A275 PolarHBondContact O-N 3.19Å; A275-L289 HydrophobicContact CB-CD1 4.24Å; A275-T292 HydrophobicContact CB-CG2 4.27Å; A275-L308 HydrophobicContact CB-CD2 4.03Å; A275-I312 HydrophobicContact CB-CD1 4.18Å |
| 276 | T | 91.1 | Very high | 91.4 | Very high | 95 Ų | 95 | 44.9 Ų | 44.9 | 58% | 0.583 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -98.9 | -37.6 | -178.7 | 49.5 | 0 | 0 | 0 | 0 | 113.8 | A272 Q273 V274 L308 | A272-T276 WeakPolarHBondContact O-CB 3.48Å; A272-T276 WeakPolarHBondContact O-CG2 3.45Å; A272-T276 PolarHBondContact O-N 2.91Å; A272-T276 VanDerWaalsContact O-N 3.15Å; A272-T276 PolarHBondContact O-OG1 2.75Å; Q273-T276 PolarHBondContact O-OG1 3.18Å; V274-T276 PolarHBondContact O-N 2.94Å; T276-L308 HydrophobicContact CG2-CD2 4.28Å |
| 277 | N | 90.1 | Very high | 91.5 | Very high | 111 Ų | 111 | 44.8 Ų | 44.8 | 59% | 0.594 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -92.6 | -11.6 | -174.9 | -64.6 | -69.8 | 0 | 0 | 0 | 114.9 | Q273 E279 | Q273-N277 WeakPolarHBondContact CG-ND2 3.29Å; Q273-N277 WeakPolarHBondContact O-CB 3.32Å; Q273-N277 PolarHBondContact O-N 3.05Å; Q273-N277 PolarHBondContact O-ND2 3.12Å; N277-E279 PolarHBondContact O-N 3.1Å |
| 278 | T | 89.5 | Confident | 91.5 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 14% | 0.135 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -72.6 | 123.7 | -176.7 | -62 | 0 | 0 | 0 | 0 | 112.3 | V274 T280 G285 I288 | V274-T278 VanDerWaalsContact CG2-OG1 3.29Å; V274-T278 WeakPolarHBondContact CG2-OG1 3.35Å; V274-T278 VanDerWaalsContact O-CB 3.25Å; V274-T278 WeakPolarHBondContact O-CB 3.09Å; V274-T278 PolarHBondContact O-N 3.47Å; V274-T278 PolarHBondContact O-OG1 2.87Å; T278-T280 PolarHBondContact O-N 2.96Å; T278-T280 VanDerWaalsContact O-N 3.14Å; T278-G285 VanDerWaalsContact CG2-CA 3.48Å; T278-G285 VanDerWaalsContact CG2-O 3.3Å; T278-G285 WeakPolarHBondContact CG2-O 3.35Å; T278-I288 HydrophobicContact CG2-CB 4.36Å; T278-I288 HydrophobicContact CG2-CG2 4.39Å |
| 279 | E | 87.8 | Confident | 91.5 | Very high | 114 Ų | 114 | 44.1 Ų | 44.1 | 53% | 0.533 | 25% | 0.25 | S | S | . | . | trans | -71.8 | 106.7 | -179.8 | -164.3 | -167.8 | 153.1 | 0 | 0 | 112.3 | N277 S281 | N277-E279 PolarHBondContact O-N 3.1Å; E279-S281 PolarHBondContact O-N 3.14Å; E279-S281 VanDerWaalsContact O-N 3.16Å; E279-S281 WeakPolarHBondContact OE1-CB 3.33Å; E279-S281 PolarHBondContact OE1-OG 3.35Å | ||
| 280 | T | 87 | Confident | 91.5 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 23% | 0.233 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 14.5 | 179.9 | 51.7 | 0 | 0 | 0 | 0 | 115.4 | T278 K282 N286 L289 R315 F316 | T278-T280 PolarHBondContact O-N 2.96Å; T278-T280 VanDerWaalsContact O-N 3.14Å; T280-K282 VanDerWaalsContact C-N 3.35Å; T280-N286 WeakPolarHBondContact CA-OD1 3.25Å; T280-N286 WeakPolarHBondContact CB-OD1 3.39Å; T280-N286 VanDerWaalsContact CG2-OD1 3.31Å; T280-N286 WeakPolarHBondContact CG2-OD1 3.5Å; T280-N286 PolarHBondContact O-ND2 3.16Å; T280-N286 PolarHBondContact O-OD1 3.2Å; T280-L289 HydrophobicContact CG2-CD2 3.43Å; T280-L289 VanDerWaalsContact CG2-CD2 3.43Å; T280-R315 PolarHBondContact OG1-NH1 3.24Å; T280-F316 HydrophobicContact CG2-CE1 4.49Å |
| 281 | S | 87.5 | Confident | 91.6 | Very high | 66 Ų | 66 | 42.6 Ų | 42.6 | 46% | 0.462 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -20 | -179.3 | 84.5 | 0 | 0 | 0 | 0 | 113.6 | E279 | E279-S281 PolarHBondContact O-N 3.14Å; E279-S281 VanDerWaalsContact O-N 3.16Å; E279-S281 WeakPolarHBondContact OE1-CB 3.33Å; E279-S281 PolarHBondContact OE1-OG 3.35Å |
| 282 | K | 89.1 | Confident | 91.6 | Very high | 109 Ų | 109 | 42.6 Ų | 42.6 | 47% | 0.474 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -123.5 | 156 | 179.8 | -51.2 | -58 | 169.3 | -165.7 | 0 | 110.9 | T280 V284 G285 N286 | T280-K282 VanDerWaalsContact C-N 3.35Å; K282-V284 PolarHBondContact O-N 3.05Å; K282-V284 VanDerWaalsContact O-N 3.14Å; K282-G285 PolarHBondContact O-N 3.34Å; K282-N286 PolarHBondContact O-N 3.07Å; K282-N286 PolarHBondContact O-ND2 3.38Å |
| 283 | N | 91.2 | Very high | 91.5 | Very high | 109 Ų | 109 | 40.8 Ų | 40.8 | 58% | 0.583 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -55.3 | -31.1 | 174.2 | -169.8 | 32.5 | 0 | 0 | 0 | 112.9 | N286 A287 | N283-N286 PolarHBondContact O-N 2.95Å; N283-A287 WeakPolarHBondContact O-CB 3.31Å; N283-A287 PolarHBondContact O-N 3.09Å |
| 284 | V | 93 | Very high | 91.5 | Very high | 29 Ų | 29 | 39.4 Ų | 39.4 | 18% | 0.176 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.5 | -51.7 | 178.7 | -176.3 | 0 | 0 | 0 | 0 | 112 | V237 I240 P243 K282 A287 I288 | V237-V284 HydrophobicContact CB-CG2 4.41Å; V237-V284 HydrophobicContact CG1-CG2 3.87Å; I240-V284 HydrophobicContact CB-CG1 4.08Å; I240-V284 HydrophobicContact CD1-CB 4.18Å; I240-V284 HydrophobicContact CD1-CG1 3.92Å; I240-V284 HydrophobicContact CG2-CG1 4.1Å; P243-V284 HydrophobicContact CB-CG1 3.43Å; P243-V284 VanDerWaalsContact CB-CG1 3.43Å; P243-V284 HydrophobicContact CG-CG1 3.61Å; K282-V284 PolarHBondContact O-N 3.05Å; K282-V284 VanDerWaalsContact O-N 3.14Å; V284-A287 PolarHBondContact O-N 3.22Å; V284-I288 PolarHBondContact O-N 3.11Å |
| 285 | G | 91.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.1 | -37.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T278 K282 A287 I288 L289 | T278-G285 VanDerWaalsContact CG2-CA 3.48Å; T278-G285 VanDerWaalsContact CG2-O 3.3Å; T278-G285 WeakPolarHBondContact CG2-O 3.35Å; K282-G285 PolarHBondContact O-N 3.34Å; G285-A287 VanDerWaalsContact C-N 3.3Å; G285-A287 PolarHBondContact O-N 3Å; G285-I288 PolarHBondContact O-N 3.42Å; G285-L289 VanDerWaalsContact O-CB 3.29Å; G285-L289 WeakPolarHBondContact O-CB 3.11Å; G285-L289 PolarHBondContact O-N 3.5Å |
| 286 | N | 91.8 | Very high | 91.5 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.5 | -33 | 175.1 | -65.9 | -28.8 | 0 | 0 | 0 | 112.7 | T280 K282 N283 Y290 F316 I324 | T280-N286 WeakPolarHBondContact CA-OD1 3.25Å; T280-N286 WeakPolarHBondContact CB-OD1 3.39Å; T280-N286 VanDerWaalsContact CG2-OD1 3.31Å; T280-N286 WeakPolarHBondContact CG2-OD1 3.5Å; T280-N286 PolarHBondContact O-ND2 3.16Å; T280-N286 PolarHBondContact O-OD1 3.2Å; K282-N286 PolarHBondContact O-N 3.07Å; K282-N286 PolarHBondContact O-ND2 3.38Å; N283-N286 PolarHBondContact O-N 2.95Å; N286-Y290 VanDerWaalsContact O-CB 3.28Å; N286-Y290 WeakPolarHBondContact O-CB 3.17Å; N286-Y290 PolarHBondContact O-N 2.79Å; N286-F316 HydrophobicContact CB-CZ 4.2Å; N286-I324 HydrophobicContact CB-CD1 3.71Å |
| 287 | A | 93.4 | Very high | 91.4 | Very high | 41 Ų | 41 | 34.4 Ų | 34.4 | 34% | 0.339 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -71.1 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N283 V284 G285 E291 | N283-A287 WeakPolarHBondContact O-CB 3.31Å; N283-A287 PolarHBondContact O-N 3.09Å; V284-A287 PolarHBondContact O-N 3.22Å; G285-A287 VanDerWaalsContact C-N 3.3Å; G285-A287 PolarHBondContact O-N 3Å; A287-E291 PolarHBondContact O-N 3.45Å |
| 288 | I | 94.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -47.4 | 170.9 | -68.8 | 160.2 | 0 | 0 | 0 | 110 | I240 P243 Q246 V247 L250 V274 T278 V284 G285 Y290 E291 T292 | I240-I288 HydrophobicContact CG2-CD1 3.52Å; P243-I288 HydrophobicContact CB-CD1 3.89Å; P243-I288 HydrophobicContact CB-CG1 4.26Å; Q246-I288 HydrophobicContact CB-CG1 4.37Å; V247-I288 HydrophobicContact CG2-CG1 4.11Å; L250-I288 HydrophobicContact CD1-CG2 4.09Å; V274-I288 HydrophobicContact CG2-CG2 3.73Å; T278-I288 HydrophobicContact CG2-CB 4.36Å; T278-I288 HydrophobicContact CG2-CG2 4.39Å; V284-I288 PolarHBondContact O-N 3.11Å; G285-I288 PolarHBondContact O-N 3.42Å; I288-Y290 VanDerWaalsContact C-N 3.31Å; I288-Y290 PolarHBondContact O-N 2.93Å; I288-E291 PolarHBondContact O-N 3.07Å; I288-T292 WeakPolarHBondContact O-CB 3.5Å; I288-T292 PolarHBondContact O-N 3.46Å; I288-T292 PolarHBondContact O-OG1 3.36Å |
| 289 | L | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.6 | -31.6 | -177.6 | -167.6 | 60 | 0 | 0 | 0 | 112.3 | A275 T280 G285 T292 V293 I312 F316 | A275-L289 HydrophobicContact CB-CD1 4.24Å; T280-L289 HydrophobicContact CG2-CD2 3.43Å; T280-L289 VanDerWaalsContact CG2-CD2 3.43Å; G285-L289 VanDerWaalsContact O-CB 3.29Å; G285-L289 WeakPolarHBondContact O-CB 3.11Å; G285-L289 PolarHBondContact O-N 3.5Å; L289-T292 WeakPolarHBondContact O-CB 3.09Å; L289-T292 PolarHBondContact O-N 3.01Å; L289-V293 WeakPolarHBondContact O-CB 3.14Å; L289-V293 VanDerWaalsContact O-CG2 3.3Å; L289-V293 WeakPolarHBondContact O-CG2 3.45Å; L289-V293 PolarHBondContact O-N 2.97Å; L289-I312 HydrophobicContact CD1-CD1 4.02Å; L289-I312 HydrophobicContact CD2-CD1 4.47Å; L289-I312 HydrophobicContact CD2-CG1 4.5Å; L289-I312 HydrophobicContact CD2-CG2 3.67Å; L289-I312 HydrophobicContact CG-CD1 4.49Å; L289-I312 HydrophobicContact CG-CG2 3.85Å; L289-F316 HydrophobicContact CB-CZ 4.18Å; L289-F316 HydrophobicContact CD2-CE1 4.27Å; L289-F316 HydrophobicContact CD2-CZ 3.84Å; L289-F316 HydrophobicContact CG-CZ 4.14Å |
| 290 | Y | 92.1 | Very high | 91.2 | Very high | 55 Ų | 55 | 30.5 Ų | 30.5 | 22% | 0.216 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.6 | -51.5 | 170.6 | 167 | -135 | 0 | 0 | 0 | 112.5 | N286 I288 T292 V293 L294 V327 S331 | N286-Y290 VanDerWaalsContact O-CB 3.28Å; N286-Y290 WeakPolarHBondContact O-CB 3.17Å; N286-Y290 PolarHBondContact O-N 2.79Å; I288-Y290 VanDerWaalsContact C-N 3.31Å; I288-Y290 PolarHBondContact O-N 2.93Å; Y290-T292 VanDerWaalsContact C-N 3.26Å; Y290-T292 PolarHBondContact O-N 2.96Å; Y290-V293 PolarHBondContact O-N 3.15Å; Y290-L294 HydrophobicContact CD2-CD1 4.2Å; Y290-L294 HydrophobicContact CD2-CG 4.04Å; Y290-L294 HydrophobicContact CE1-CD1 4.42Å; Y290-L294 HydrophobicContact CE2-CD1 3.52Å; Y290-L294 HydrophobicContact CE2-CD2 4.03Å; Y290-L294 HydrophobicContact CE2-CG 3.66Å; Y290-L294 PolarHBondContact O-N 3.47Å; Y290-V327 HydrophobicContact CD1-CG1 3.86Å; Y290-V327 HydrophobicContact CD2-CG1 3.4Å; Y290-V327 VanDerWaalsContact CD2-CG1 3.4Å; Y290-V327 HydrophobicContact CE1-CG1 4.19Å; Y290-V327 HydrophobicContact CE2-CG1 3.78Å; Y290-V327 HydrophobicContact CG-CG1 3.44Å; Y290-V327 VanDerWaalsContact CG-CG1 3.44Å; Y290-S331 WeakPolarHBondContact CD2-OG 3.47Å; Y290-S331 WeakPolarHBondContact CE2-OG 3.3Å |
| 291 | E | 94.4 | Very high | 91 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 2% | 0.023 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.5 | -32.9 | 177.2 | -163.1 | 83.7 | -151.3 | 0 | 0 | 111.1 | V247 L250 R251 R254 A287 I288 L294 T295 | V247-E291 HydrophobicContact CG1-CB 4.13Å; V247-E291 HydrophobicContact CG1-CG 3.99Å; V247-E291 HydrophobicContact CG2-CB 4.36Å; L250-E291 HydrophobicContact CB-CB 4.4Å; L250-E291 HydrophobicContact CB-CG 3.89Å; L250-E291 HydrophobicContact CD1-CB 4.38Å; R251-E291 HydrophobicContact CB-CG 4.42Å; R251-E291 WeakPolarHBondContact CB-OE1 3.47Å; R251-E291 WeakPolarHBondContact CG-OE1 3.5Å; R251-E291 IonicContact CZ-OE1 2.86Å; R251-E291 IonicContact CZ-OE2 3.08Å; R251-E291 IonicContact NE-OE1 2.73Å; R251-E291 PolarHBondContact NE-OE1 3.06Å; R251-E291 IonicContact NE-OE2 3.83Å; R251-E291 PolarHBondContact NE-OE2 3.11Å; R251-E291 IonicContact NH2-OE1 2.7Å; R251-E291 PolarHBondContact NH2-OE1 2.65Å; R251-E291 IonicContact NH2-OE2 3.2Å; R251-E291 PolarHBondContact NH2-OE2 2.96Å; R254-E291 IonicContact CZ-OE1 3.03Å; R254-E291 IonicContact NH1-OE1 2.68Å; R254-E291 PolarHBondContact NH1-OE1 2.86Å; R254-E291 IonicContact NH2-OE1 3.62Å; A287-E291 PolarHBondContact O-N 3.45Å; I288-E291 PolarHBondContact O-N 3.07Å; E291-L294 PolarHBondContact O-N 3.4Å; E291-T295 WeakPolarHBondContact O-CB 3.36Å; E291-T295 PolarHBondContact O-N 3.36Å; E291-T295 PolarHBondContact O-OG1 3.32Å |
| 292 | T | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.9 | -50.1 | 171.2 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | L250 L271 V274 A275 I288 L289 Y290 T295 I296 | L250-T292 WeakPolarHBondContact CD1-OG1 3.45Å; L271-T292 HydrophobicContact CD2-CG2 4.08Å; V274-T292 HydrophobicContact CG1-CG2 3.48Å; V274-T292 VanDerWaalsContact CG1-CG2 3.48Å; V274-T292 WeakPolarHBondContact CG1-OG1 3.38Å; A275-T292 HydrophobicContact CB-CG2 4.27Å; I288-T292 WeakPolarHBondContact O-CB 3.5Å; I288-T292 PolarHBondContact O-N 3.46Å; I288-T292 PolarHBondContact O-OG1 3.36Å; L289-T292 WeakPolarHBondContact O-CB 3.09Å; L289-T292 PolarHBondContact O-N 3.01Å; Y290-T292 VanDerWaalsContact C-N 3.26Å; Y290-T292 PolarHBondContact O-N 2.96Å; T292-T295 WeakPolarHBondContact O-CA 3.44Å; T292-T295 WeakPolarHBondContact O-CB 3.3Å; T292-T295 PolarHBondContact O-N 3.26Å; T292-T295 VanDerWaalsContact O-N 3.08Å; T292-I296 HydrophobicContact CG2-CD1 3.88Å; T292-I296 WeakPolarHBondContact O-CG1 3.45Å; T292-I296 PolarHBondContact O-N 3.45Å |
| 293 | V | 92.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 178.7 | 162.5 | 0 | 0 | 0 | 0 | 111.5 | L289 Y290 T295 I296 M297 A309 I312 L313 | L289-V293 WeakPolarHBondContact O-CB 3.14Å; L289-V293 VanDerWaalsContact O-CG2 3.3Å; L289-V293 WeakPolarHBondContact O-CG2 3.45Å; L289-V293 PolarHBondContact O-N 2.97Å; Y290-V293 PolarHBondContact O-N 3.15Å; V293-T295 PolarHBondContact O-N 2.93Å; V293-I296 PolarHBondContact O-N 2.86Å; V293-M297 HydrophobicContact CG1-CG 4.47Å; V293-M297 VanDerWaalsContact O-CG 3.27Å; V293-M297 WeakPolarHBondContact O-CG 3.37Å; V293-M297 PolarHBondContact O-N 2.99Å; V293-M297 VanDerWaalsContact O-N 3.08Å; V293-A309 HydrophobicContact CG1-CB 4.26Å; V293-A309 HydrophobicContact CG2-CB 4.08Å; V293-I312 HydrophobicContact CG2-CB 4.22Å; V293-I312 HydrophobicContact CG2-CD1 4.44Å; V293-I312 HydrophobicContact CG2-CG2 3.86Å; V293-L313 HydrophobicContact CG1-CD1 3.68Å; V293-L313 HydrophobicContact CG1-CD2 3.81Å; V293-L313 HydrophobicContact CG1-CG 3.71Å |
| 294 | L | 91 | Very high | 90.6 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.2 | -39.7 | 172.5 | -68.9 | -177 | 0 | 0 | 0 | 111.2 | R254 Y290 E291 M297 D298 K334 | R254-L294 WeakPolarHBondContact CD-O 3.4Å; Y290-L294 HydrophobicContact CD2-CD1 4.2Å; Y290-L294 HydrophobicContact CD2-CG 4.04Å; Y290-L294 HydrophobicContact CE1-CD1 4.42Å; Y290-L294 HydrophobicContact CE2-CD1 3.52Å; Y290-L294 HydrophobicContact CE2-CD2 4.03Å; Y290-L294 HydrophobicContact CE2-CG 3.66Å; Y290-L294 PolarHBondContact O-N 3.47Å; E291-L294 PolarHBondContact O-N 3.4Å; L294-M297 PolarHBondContact O-N 3.3Å; L294-D298 WeakPolarHBondContact O-CB 3.26Å; L294-D298 PolarHBondContact O-N 3.38Å; L294-K334 HydrophobicContact CD2-CD 4.48Å |
| 295 | T | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -49.4 | 178.2 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | L250 L253 R254 L271 E291 T292 V293 M297 I299 | L250-T295 PolarHBondContact O-OG1 3.19Å; L253-T295 HydrophobicContact CB-CG2 4.44Å; R254-T295 HydrophobicContact CB-CG2 3.92Å; L271-T295 HydrophobicContact CD1-CG2 4.05Å; L271-T295 HydrophobicContact CD2-CG2 3.77Å; E291-T295 WeakPolarHBondContact O-CB 3.36Å; E291-T295 PolarHBondContact O-N 3.36Å; E291-T295 PolarHBondContact O-OG1 3.32Å; T292-T295 WeakPolarHBondContact O-CA 3.44Å; T292-T295 WeakPolarHBondContact O-CB 3.3Å; T292-T295 PolarHBondContact O-N 3.26Å; T292-T295 VanDerWaalsContact O-N 3.08Å; V293-T295 PolarHBondContact O-N 2.93Å; T295-M297 VanDerWaalsContact C-N 3.31Å; T295-M297 PolarHBondContact O-N 2.95Å; T295-I299 VanDerWaalsContact O-CG1 3.28Å; T295-I299 WeakPolarHBondContact O-CG1 3.43Å; T295-I299 WeakPolarHBondContact O-CG2 3.35Å; T295-I299 PolarHBondContact O-N 2.88Å |
| 296 | I | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.6 | -41 | 177.5 | -68.4 | 164.1 | 0 | 0 | 0 | 112 | L271 T292 V293 S301 L305 R306 A309 | L271-I296 HydrophobicContact CB-CD1 4.48Å; L271-I296 HydrophobicContact CB-CG1 4.17Å; L271-I296 HydrophobicContact CD1-CG1 4.14Å; L271-I296 HydrophobicContact CD2-CG1 4.4Å; L271-I296 HydrophobicContact CG-CG1 4.48Å; T292-I296 HydrophobicContact CG2-CD1 3.88Å; T292-I296 WeakPolarHBondContact O-CG1 3.45Å; T292-I296 PolarHBondContact O-N 3.45Å; V293-I296 PolarHBondContact O-N 2.86Å; I296-S301 PolarHBondContact O-OG 2.72Å; I296-L305 HydrophobicContact CD1-CD1 3.7Å; I296-L305 HydrophobicContact CD1-CD2 4.33Å; I296-L305 HydrophobicContact CD1-CG 3.8Å; I296-L305 HydrophobicContact CG1-CD1 4.31Å; I296-L305 HydrophobicContact CG1-CD2 4.04Å; I296-L305 HydrophobicContact CG1-CG 3.88Å; I296-L305 HydrophobicContact CG2-CB 4.48Å; I296-L305 HydrophobicContact CG2-CG 3.9Å; I296-R306 HydrophobicContact CG2-CG 4.11Å; I296-A309 HydrophobicContact CB-CB 4.22Å; I296-A309 HydrophobicContact CD1-CB 4.13Å; I296-A309 HydrophobicContact CG2-CB 3.81Å |
| 297 | M | 88.8 | Confident | 90.3 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -86.7 | -23.8 | -170.4 | -62.5 | -61.2 | -55.6 | 0 | 0 | 114.6 | V293 L294 T295 R306 A309 I310 T335 D339 | V293-M297 HydrophobicContact CG1-CG 4.47Å; V293-M297 VanDerWaalsContact O-CG 3.27Å; V293-M297 WeakPolarHBondContact O-CG 3.37Å; V293-M297 PolarHBondContact O-N 2.99Å; V293-M297 VanDerWaalsContact O-N 3.08Å; L294-M297 PolarHBondContact O-N 3.3Å; T295-M297 VanDerWaalsContact C-N 3.31Å; T295-M297 PolarHBondContact O-N 2.95Å; M297-R306 HydrophobicContact SD-CB 3.87Å; M297-R306 HydrophobicContact SD-CG 3.93Å; M297-A309 HydrophobicContact CG-CB 4.28Å; M297-A309 HydrophobicContact SD-CB 4.09Å; M297-I310 HydrophobicContact CE-CD1 3.89Å; M297-I310 HydrophobicContact CE-CG1 4.2Å; M297-I310 HydrophobicContact SD-CD1 4.43Å; M297-I310 HydrophobicContact SD-CG1 4.21Å; M297-T335 HydrophobicContact CB-CG2 3.5Å; M297-T335 HydrophobicContact CE-CG2 4.09Å; M297-T335 HydrophobicContact CG-CG2 3.81Å; M297-D339 HydrophobicContact CE-CB 3.97Å |
| 298 | D | 89.1 | Confident | 90.1 | Very high | 52 Ų | 52 | 32.4 Ų | 32.4 | 28% | 0.278 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -82.3 | -23.4 | 173 | -83.4 | 15.3 | 0 | 0 | 0 | 112.7 | R254 L294 | R254-D298 WeakPolarHBondContact CD-OD2 3.27Å; R254-D298 HydrophobicContact CG-CB 3.5Å; R254-D298 VanDerWaalsContact CG-CB 3.5Å; R254-D298 IonicContact CZ-OD2 2.66Å; R254-D298 IonicContact NE-OD2 2.98Å; R254-D298 PolarHBondContact NE-OD2 2.9Å; L294-D298 WeakPolarHBondContact O-CB 3.26Å; L294-D298 PolarHBondContact O-N 3.38Å |
| 299 | I | 90.4 | Very high | 90 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 167.1 | 179.5 | 75.7 | -175.9 | 0 | 0 | 0 | 112.2 | R254 M267 L271 T295 S301 R306 | R254-I299 HydrophobicContact CG-CG2 4.46Å; R254-I299 WeakPolarHBondContact O-CG2 3.03Å; M267-I299 HydrophobicContact CG-CD1 4.09Å; M267-I299 HydrophobicContact SD-CD1 3.67Å; L271-I299 HydrophobicContact CD1-CD1 3.68Å; T295-I299 VanDerWaalsContact O-CG1 3.28Å; T295-I299 WeakPolarHBondContact O-CG1 3.43Å; T295-I299 WeakPolarHBondContact O-CG2 3.35Å; T295-I299 PolarHBondContact O-N 2.88Å; I299-S301 PolarHBondContact O-N 3.12Å; I299-R306 PolarHBondContact O-NH2 3.31Å |
| 300 | K | 84.4 | Confident | 89.8 | Confident | 111 Ų | 111 | 32.6 Ų | 32.6 | 48% | 0.483 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 64.4 | 170.8 | -70.7 | 171.1 | 166.3 | -171.3 | 0 | 111.3 | D261 | D261-K300 VanDerWaalsContact CG-NZ 3.29Å; D261-K300 WeakPolarHBondContact OD1-CD 3.48Å; D261-K300 WeakPolarHBondContact OD1-CE 3.37Å; D261-K300 IonicContact OD1-NZ 3.95Å; D261-K300 PolarHBondContact OD1-NZ 3.25Å; D261-K300 IonicContact OD2-NZ 3.63Å; D261-K300 PolarHBondContact OD2-NZ 3.08Å |
| 301 | S | 81.6 | Confident | 89.7 | Confident | 15 Ų | 15 | 34.1 Ų | 34.1 | 11% | 0.105 | 19% | 0.188 | C | C | . | . | trans | -73.4 | 168.1 | 175.7 | 74.1 | 0 | 0 | 0 | 0 | 112.4 | I296 I299 R306 | I296-S301 PolarHBondContact O-OG 2.72Å; I299-S301 PolarHBondContact O-N 3.12Å; S301-R306 WeakPolarHBondContact OG-CG 3.47Å | ||
| 302 | E | 86 | Confident | 89.6 | Confident | 120 Ų | 120 | 34.3 Ų | 34.3 | 56% | 0.561 | 19% | 0.189 | S | C | * | . | trans | -54.4 | 146.3 | 165.2 | -158.2 | -146.2 | 140 | 0 | 0 | 111.7 | G304 L305 R306 | E302-G304 PolarHBondContact O-N 2.93Å; E302-L305 HydrophobicContact CB-CB 4.36Å; E302-L305 PolarHBondContact O-N 3.13Å; E302-R306 PolarHBondContact O-N 3.02Å | ||
| 303 | S | 86.5 | Confident | 89.5 | Confident | 91 Ų | 91 | 34.3 Ų | 34.3 | 64% | 0.636 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -67.1 | -33.9 | 179.6 | 58.8 | 0 | 0 | 0 | 0 | 112.9 | L305 R306 V307 | S303-L305 VanDerWaalsContact C-N 3.31Å; S303-L305 PolarHBondContact O-N 2.96Å; S303-R306 PolarHBondContact O-N 3.45Å; S303-V307 WeakPolarHBondContact O-CG2 3.35Å; S303-V307 PolarHBondContact O-N 3.1Å |
| 304 | G | 88.3 | Confident | 89.4 | Confident | 36 Ų | 36 | 34.5 Ų | 34.5 | 37% | 0.371 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.9 | -42 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E302 V307 L308 | E302-G304 PolarHBondContact O-N 2.93Å; G304-V307 PolarHBondContact O-N 3.36Å; G304-L308 PolarHBondContact O-N 3.25Å |
| 305 | L | 90.4 | Very high | 89.3 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.2 | -36.1 | 178.4 | -170.9 | 55.1 | 0 | 0 | 0 | 112.4 | L271 A272 I296 E302 S303 L308 A309 | L271-L305 HydrophobicContact CB-CD2 3.86Å; A272-L305 HydrophobicContact CB-CD1 4.17Å; I296-L305 HydrophobicContact CD1-CD1 3.7Å; I296-L305 HydrophobicContact CD1-CD2 4.33Å; I296-L305 HydrophobicContact CD1-CG 3.8Å; I296-L305 HydrophobicContact CG1-CD1 4.31Å; I296-L305 HydrophobicContact CG1-CD2 4.04Å; I296-L305 HydrophobicContact CG1-CG 3.88Å; I296-L305 HydrophobicContact CG2-CB 4.48Å; I296-L305 HydrophobicContact CG2-CG 3.9Å; E302-L305 HydrophobicContact CB-CB 4.36Å; E302-L305 PolarHBondContact O-N 3.13Å; S303-L305 VanDerWaalsContact C-N 3.31Å; S303-L305 PolarHBondContact O-N 2.96Å; L305-L308 HydrophobicContact CD1-CD2 4.27Å; L305-L308 PolarHBondContact O-N 3.48Å; L305-A309 WeakPolarHBondContact O-CB 3.38Å; L305-A309 PolarHBondContact O-N 3.22Å |
| 306 | R | 89.3 | Confident | 89.3 | Confident | 47 Ų | 47 | 40.3 Ų | 40.3 | 18% | 0.177 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.6 | -41 | 171.3 | -63.5 | -162.5 | 178 | 176 | -0.6 | 113 | I296 M297 I299 S301 E302 S303 L308 A309 I310 D339 | I296-R306 HydrophobicContact CG2-CG 4.11Å; M297-R306 HydrophobicContact SD-CB 3.87Å; M297-R306 HydrophobicContact SD-CG 3.93Å; I299-R306 PolarHBondContact O-NH2 3.31Å; S301-R306 WeakPolarHBondContact OG-CG 3.47Å; E302-R306 PolarHBondContact O-N 3.02Å; S303-R306 PolarHBondContact O-N 3.45Å; R306-L308 VanDerWaalsContact C-N 3.31Å; R306-L308 PolarHBondContact O-N 2.96Å; R306-A309 PolarHBondContact O-N 2.83Å; R306-I310 WeakPolarHBondContact O-CG1 3.42Å; R306-I310 PolarHBondContact O-N 3.09Å; R306-D339 VanDerWaalsContact CD-OD2 3.23Å; R306-D339 WeakPolarHBondContact CD-OD2 3.41Å; R306-D339 IonicContact CZ-OD2 3.92Å; R306-D339 IonicContact NE-OD2 3.5Å; R306-D339 IonicContact NH1-OD2 2.78Å; R306-D339 PolarHBondContact NH1-OD2 3Å |
| 307 | V | 88.4 | Confident | 89.3 | Confident | 67 Ų | 67 | 40.5 Ų | 40.5 | 41% | 0.406 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 175.1 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | S303 G304 I310 N311 | S303-V307 WeakPolarHBondContact O-CG2 3.35Å; S303-V307 PolarHBondContact O-N 3.1Å; G304-V307 PolarHBondContact O-N 3.36Å; V307-I310 PolarHBondContact O-N 2.78Å; V307-N311 WeakPolarHBondContact O-CB 3.36Å; V307-N311 PolarHBondContact O-N 3Å; V307-N311 PolarHBondContact O-ND2 3.04Å |
| 308 | L | 90.2 | Very high | 89.5 | Confident | 59 Ų | 59 | 46.3 Ų | 46.3 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 172.1 | 177.7 | 60.1 | 0 | 0 | 0 | 111.9 | A275 T276 G304 L305 R306 I310 N311 I312 | A275-L308 HydrophobicContact CB-CD2 4.03Å; T276-L308 HydrophobicContact CG2-CD2 4.28Å; G304-L308 PolarHBondContact O-N 3.25Å; L305-L308 HydrophobicContact CD1-CD2 4.27Å; L305-L308 PolarHBondContact O-N 3.48Å; R306-L308 VanDerWaalsContact C-N 3.31Å; R306-L308 PolarHBondContact O-N 2.96Å; L308-I310 PolarHBondContact O-N 2.84Å; L308-N311 PolarHBondContact O-N 3.06Å; L308-I312 HydrophobicContact CD1-CD1 4.18Å; L308-I312 HydrophobicContact CD1-CG1 4.48Å; L308-I312 HydrophobicContact CG-CD1 4Å; L308-I312 WeakPolarHBondContact O-CD1 3.4Å; L308-I312 WeakPolarHBondContact O-CG1 3.35Å; L308-I312 PolarHBondContact O-N 2.76Å |
| 309 | A | 91.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.2 | -41 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V293 I296 M297 L305 R306 I312 L313 | V293-A309 HydrophobicContact CG1-CB 4.26Å; V293-A309 HydrophobicContact CG2-CB 4.08Å; I296-A309 HydrophobicContact CB-CB 4.22Å; I296-A309 HydrophobicContact CD1-CB 4.13Å; I296-A309 HydrophobicContact CG2-CB 3.81Å; M297-A309 HydrophobicContact CG-CB 4.28Å; M297-A309 HydrophobicContact SD-CB 4.09Å; L305-A309 WeakPolarHBondContact O-CB 3.38Å; L305-A309 PolarHBondContact O-N 3.22Å; R306-A309 PolarHBondContact O-N 2.83Å; A309-I312 WeakPolarHBondContact O-CB 3.38Å; A309-I312 PolarHBondContact O-N 3.07Å; A309-L313 PolarHBondContact O-N 3.43Å |
| 310 | I | 90.2 | Very high | 89.7 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.8 | -36.9 | 177.1 | -66.1 | 177 | 0 | 0 | 0 | 111.4 | M297 R306 V307 L308 I312 L313 G314 D339 A342 | M297-I310 HydrophobicContact CE-CD1 3.89Å; M297-I310 HydrophobicContact CE-CG1 4.2Å; M297-I310 HydrophobicContact SD-CD1 4.43Å; M297-I310 HydrophobicContact SD-CG1 4.21Å; R306-I310 WeakPolarHBondContact O-CG1 3.42Å; R306-I310 PolarHBondContact O-N 3.09Å; V307-I310 PolarHBondContact O-N 2.78Å; L308-I310 PolarHBondContact O-N 2.84Å; I310-I312 VanDerWaalsContact C-N 3.27Å; I310-I312 PolarHBondContact O-N 3.41Å; I310-L313 PolarHBondContact O-N 3.32Å; I310-L313 VanDerWaalsContact O-N 3.16Å; I310-G314 PolarHBondContact O-N 2.97Å; I310-D339 HydrophobicContact CD1-CB 4.34Å; I310-A342 HydrophobicContact CD1-CB 3.37Å; I310-A342 HydrophobicContact CG2-CB 4.39Å |
| 311 | N | 89.4 | Confident | 90.1 | Very high | 88 Ų | 88 | 50.8 Ų | 50.8 | 47% | 0.471 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.6 | -35.9 | 171.6 | -69.9 | -22.8 | 0 | 0 | 0 | 112.1 | V307 L308 G314 R315 | V307-N311 WeakPolarHBondContact O-CB 3.36Å; V307-N311 PolarHBondContact O-N 3Å; V307-N311 PolarHBondContact O-ND2 3.04Å; L308-N311 PolarHBondContact O-N 3.06Å; N311-G314 PolarHBondContact O-N 3.3Å; N311-R315 PolarHBondContact O-N 3.25Å |
| 312 | I | 92.2 | Very high | 90.7 | Very high | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -45.2 | 172.4 | -71.3 | 158.4 | 0 | 0 | 0 | 110.9 | A275 L289 V293 L308 A309 I310 G314 R315 F316 | A275-I312 HydrophobicContact CB-CD1 4.18Å; L289-I312 HydrophobicContact CD1-CD1 4.02Å; L289-I312 HydrophobicContact CD2-CD1 4.47Å; L289-I312 HydrophobicContact CD2-CG1 4.5Å; L289-I312 HydrophobicContact CD2-CG2 3.67Å; L289-I312 HydrophobicContact CG-CD1 4.49Å; L289-I312 HydrophobicContact CG-CG2 3.85Å; V293-I312 HydrophobicContact CG2-CB 4.22Å; V293-I312 HydrophobicContact CG2-CD1 4.44Å; V293-I312 HydrophobicContact CG2-CG2 3.86Å; L308-I312 HydrophobicContact CD1-CD1 4.18Å; L308-I312 HydrophobicContact CD1-CG1 4.48Å; L308-I312 HydrophobicContact CG-CD1 4Å; L308-I312 WeakPolarHBondContact O-CD1 3.4Å; L308-I312 WeakPolarHBondContact O-CG1 3.35Å; L308-I312 PolarHBondContact O-N 2.76Å; A309-I312 WeakPolarHBondContact O-CB 3.38Å; A309-I312 PolarHBondContact O-N 3.07Å; I310-I312 VanDerWaalsContact C-N 3.27Å; I310-I312 PolarHBondContact O-N 3.41Å; I312-G314 VanDerWaalsContact C-N 3.34Å; I312-G314 PolarHBondContact O-N 2.89Å; I312-R315 WeakPolarHBondContact O-CB 3.25Å; I312-R315 PolarHBondContact O-N 2.87Å; I312-R315 VanDerWaalsContact O-N 3.15Å; I312-F316 HydrophobicContact CG2-CD2 4.37Å; I312-F316 HydrophobicContact CG2-CE1 4.34Å; I312-F316 HydrophobicContact CG2-CE2 4.08Å; I312-F316 HydrophobicContact CG2-CZ 4.08Å; I312-F316 PolarHBondContact O-N 3.24Å |
| 313 | L | 91.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 175.2 | -66.8 | 178.1 | 0 | 0 | 0 | 112.6 | V293 A309 I310 R315 F316 L317 L332 | V293-L313 HydrophobicContact CG1-CD1 3.68Å; V293-L313 HydrophobicContact CG1-CD2 3.81Å; V293-L313 HydrophobicContact CG1-CG 3.71Å; A309-L313 PolarHBondContact O-N 3.43Å; I310-L313 PolarHBondContact O-N 3.32Å; I310-L313 VanDerWaalsContact O-N 3.16Å; L313-R315 VanDerWaalsContact C-N 3.33Å; L313-R315 PolarHBondContact O-N 2.87Å; L313-F316 HydrophobicContact CD2-CD2 4.26Å; L313-F316 PolarHBondContact O-N 3.41Å; L313-F316 VanDerWaalsContact O-N 3.15Å; L313-L317 PolarHBondContact O-N 3.27Å; L313-L332 HydrophobicContact CB-CD2 3.92Å; L313-L332 HydrophobicContact CB-CG 4.23Å; L313-L332 HydrophobicContact CD1-CD2 3.47Å; L313-L332 VanDerWaalsContact CD1-CD2 3.47Å; L313-L332 HydrophobicContact CD1-CG 3.94Å; L313-L332 HydrophobicContact CG-CD2 4.34Å |
| 314 | G | 90.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | I310 N311 I312 F316 L317 L318 | I310-G314 PolarHBondContact O-N 2.97Å; N311-G314 PolarHBondContact O-N 3.3Å; I312-G314 VanDerWaalsContact C-N 3.34Å; I312-G314 PolarHBondContact O-N 2.89Å; G314-F316 VanDerWaalsContact C-N 3.35Å; G314-L317 PolarHBondContact O-N 3.22Å; G314-L318 WeakPolarHBondContact O-CG 3.46Å; G314-L318 PolarHBondContact O-N 3.04Å |
| 315 | R | 90.6 | Very high | 91.7 | Very high | 127 Ų | 127 | 50.3 Ų | 50.3 | 48% | 0.479 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.9 | -31.9 | 173.2 | -174.9 | 168.9 | 64.2 | 117 | -3.6 | 112.7 | T280 N311 I312 L313 | T280-R315 PolarHBondContact OG1-NH1 3.24Å; N311-R315 PolarHBondContact O-N 3.25Å; I312-R315 WeakPolarHBondContact O-CB 3.25Å; I312-R315 PolarHBondContact O-N 2.87Å; I312-R315 VanDerWaalsContact O-N 3.15Å; L313-R315 VanDerWaalsContact C-N 3.33Å; L313-R315 PolarHBondContact O-N 2.87Å |
| 316 | F | 92.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.1 | -36.7 | 174.6 | -72.4 | -7.7 | 0 | 0 | 0 | 113 | T280 N286 L289 I312 L313 G314 L318 N319 I324 A328 | T280-F316 HydrophobicContact CG2-CE1 4.49Å; N286-F316 HydrophobicContact CB-CZ 4.2Å; L289-F316 HydrophobicContact CB-CZ 4.18Å; L289-F316 HydrophobicContact CD2-CE1 4.27Å; L289-F316 HydrophobicContact CD2-CZ 3.84Å; L289-F316 HydrophobicContact CG-CZ 4.14Å; I312-F316 HydrophobicContact CG2-CD2 4.37Å; I312-F316 HydrophobicContact CG2-CE1 4.34Å; I312-F316 HydrophobicContact CG2-CE2 4.08Å; I312-F316 HydrophobicContact CG2-CZ 4.08Å; I312-F316 PolarHBondContact O-N 3.24Å; L313-F316 HydrophobicContact CD2-CD2 4.26Å; L313-F316 PolarHBondContact O-N 3.41Å; L313-F316 VanDerWaalsContact O-N 3.15Å; G314-F316 VanDerWaalsContact C-N 3.35Å; F316-L318 VanDerWaalsContact C-N 3.27Å; F316-L318 PolarHBondContact O-N 3Å; F316-N319 VanDerWaalsContact O-CB 3.25Å; F316-N319 WeakPolarHBondContact O-CB 3.45Å; F316-N319 PolarHBondContact O-N 3.1Å; F316-N319 VanDerWaalsContact O-N 3.16Å; F316-I324 HydrophobicContact CB-CG2 3.59Å; F316-I324 HydrophobicContact CD1-CG2 3.72Å; F316-I324 HydrophobicContact CD2-CG2 4.28Å; F316-I324 HydrophobicContact CE1-CG2 4.4Å; F316-I324 HydrophobicContact CG-CG2 3.63Å; F316-A328 HydrophobicContact CB-CB 3.69Å |
| 317 | L | 92.8 | Very high | 92.1 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.7 | -39.9 | 171.3 | -79 | 177.8 | 0 | 0 | 0 | 112.2 | L313 G314 N319 A328 L329 L332 H346 T349 I350 | L313-L317 PolarHBondContact O-N 3.27Å; G314-L317 PolarHBondContact O-N 3.22Å; L317-N319 PolarHBondContact O-N 3.37Å; L317-A328 HydrophobicContact CD2-CB 3.91Å; L317-A328 HydrophobicContact CG-CB 3.98Å; L317-L329 HydrophobicContact CD2-CD1 3.53Å; L317-L329 HydrophobicContact CD2-CG 3.8Å; L317-L332 HydrophobicContact CD1-CD1 3.64Å; L317-L332 HydrophobicContact CD2-CD1 4.3Å; L317-L332 HydrophobicContact CG-CD1 4.06Å; L317-H346 HydrophobicContact CD1-CB 3.86Å; L317-T349 HydrophobicContact CB-CG2 4.05Å; L317-T349 HydrophobicContact CD1-CG2 4.41Å; L317-I350 HydrophobicContact CD1-CG1 4.1Å |
| 318 | L | 92.4 | Very high | 92.3 | Very high | 123 Ų | 123 | 49.8 Ų | 49.8 | 64% | 0.644 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 5.7 | -179.7 | -63.1 | 173.9 | 0 | 0 | 0 | 113.8 | G314 F316 T349 | G314-L318 WeakPolarHBondContact O-CG 3.46Å; G314-L318 PolarHBondContact O-N 3.04Å; F316-L318 VanDerWaalsContact C-N 3.27Å; F316-L318 PolarHBondContact O-N 3Å; L318-T349 HydrophobicContact CD2-CG2 3.81Å |
| 319 | N | 93.1 | Very high | 92.5 | Very high | 52 Ų | 52 | 47 Ų | 47 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | trans | -73.8 | 150.5 | 178.1 | -159.6 | -40.5 | 0 | 0 | 0 | 111.1 | F316 L317 D321 I324 R325 | F316-N319 VanDerWaalsContact O-CB 3.25Å; F316-N319 WeakPolarHBondContact O-CB 3.45Å; F316-N319 PolarHBondContact O-N 3.1Å; F316-N319 VanDerWaalsContact O-N 3.16Å; L317-N319 PolarHBondContact O-N 3.37Å; N319-D321 PolarHBondContact OD1-N 3.09Å; N319-I324 HydrophobicContact CB-CB 4.06Å; N319-I324 HydrophobicContact CB-CG2 3.81Å; N319-R325 PolarHBondContact O-NE 2.95Å; N319-R325 PolarHBondContact O-NH2 3.48Å; N319-R325 VanDerWaalsContact O-NH2 3.14Å | ||
| 320 | N | 90.9 | Very high | 92.6 | Very high | 146 Ų | 146 | 48.1 Ų | 48.1 | 78% | 0.781 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -76.9 | -23.6 | 173.2 | -70.9 | -36.6 | 0 | 0 | 0 | 112.6 | K322 | N320-K322 PolarHBondContact O-N 3.06Š|
| 321 | D | 93.1 | Very high | 92.6 | Very high | 61 Ų | 61 | 47.9 Ų | 47.9 | 33% | 0.326 | 24% | 0.235 | S | C | . | . | trans | -75.6 | 115.4 | 175.2 | -174.7 | -3.9 | 0 | 0 | 0 | 111.2 | N319 N323 I324 R325 | N319-D321 PolarHBondContact OD1-N 3.09Å; D321-N323 PolarHBondContact O-N 3.23Å; D321-N323 WeakPolarHBondContact OD1-CB 3.42Å; D321-N323 PolarHBondContact OD1-N 2.99Å; D321-N323 PolarHBondContact OD1-ND2 3.38Å; D321-I324 HydrophobicContact CB-CB 4.3Å; D321-I324 HydrophobicContact CB-CG1 3.89Å; D321-I324 PolarHBondContact O-N 2.81Å; D321-R325 PolarHBondContact O-N 3.38Å; D321-R325 VanDerWaalsContact O-N 3.09Å | ||
| 322 | K | 93.9 | Very high | 92.7 | Very high | 82 Ų | 82 | 43.7 Ų | 43.7 | 36% | 0.357 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -54.2 | -34.5 | 174.6 | -73.5 | 179.4 | 157.1 | -163.2 | 0 | 113 | N320 I324 R325 Y326 D356 D358 | N320-K322 PolarHBondContact O-N 3.06Å; K322-I324 VanDerWaalsContact C-N 3.3Å; K322-I324 PolarHBondContact O-N 3.42Å; K322-R325 PolarHBondContact O-N 3.15Å; K322-Y326 WeakPolarHBondContact O-CB 3.42Å; K322-Y326 PolarHBondContact O-N 3.19Å; K322-D356 IonicContact NZ-OD1 3.35Å; K322-D358 HydrophobicContact CD-CB 4.2Å; K322-D358 WeakPolarHBondContact CD-OD2 3.45Å; K322-D358 WeakPolarHBondContact CE-OD2 3.48Å; K322-D358 VanDerWaalsContact NZ-CB 3.34Å; K322-D358 IonicContact NZ-OD2 3.61Å; K322-D358 PolarHBondContact NZ-OD2 3Å |
| 323 | N | 93.6 | Very high | 92.6 | Very high | 110 Ų | 110 | 45.5 Ų | 45.5 | 59% | 0.588 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -62.8 | -41.3 | 177.7 | -60 | -80.6 | 0 | 0 | 0 | 110.8 | D321 Y326 V327 | D321-N323 PolarHBondContact O-N 3.23Å; D321-N323 WeakPolarHBondContact OD1-CB 3.42Å; D321-N323 PolarHBondContact OD1-N 2.99Å; D321-N323 PolarHBondContact OD1-ND2 3.38Å; N323-Y326 PolarHBondContact O-N 3.32Å; N323-V327 WeakPolarHBondContact O-CB 3.43Å; N323-V327 VanDerWaalsContact O-CG2 3.3Å; N323-V327 WeakPolarHBondContact O-CG2 3.37Å; N323-V327 PolarHBondContact O-N 3.31Å |
| 324 | I | 93.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.1 | -37.2 | 178.7 | -55.9 | -58.1 | 0 | 0 | 0 | 111.1 | N286 F316 N319 D321 K322 A328 | N286-I324 HydrophobicContact CB-CD1 3.71Å; F316-I324 HydrophobicContact CB-CG2 3.59Å; F316-I324 HydrophobicContact CD1-CG2 3.72Å; F316-I324 HydrophobicContact CD2-CG2 4.28Å; F316-I324 HydrophobicContact CE1-CG2 4.4Å; F316-I324 HydrophobicContact CG-CG2 3.63Å; N319-I324 HydrophobicContact CB-CB 4.06Å; N319-I324 HydrophobicContact CB-CG2 3.81Å; D321-I324 HydrophobicContact CB-CB 4.3Å; D321-I324 HydrophobicContact CB-CG1 3.89Å; D321-I324 PolarHBondContact O-N 2.81Å; K322-I324 VanDerWaalsContact C-N 3.3Å; K322-I324 PolarHBondContact O-N 3.42Å; I324-A328 WeakPolarHBondContact O-CB 3.23Å; I324-A328 PolarHBondContact O-N 3.16Å |
| 325 | R | 94.6 | Very high | 92 | Very high | 56 Ų | 56 | 51 Ų | 51 | 21% | 0.211 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -51.8 | 169.1 | -63 | -175.5 | -170.1 | 169.8 | 1.1 | 111.4 | N319 D321 K322 V327 A328 L329 D356 I361 | N319-R325 PolarHBondContact O-NE 2.95Å; N319-R325 PolarHBondContact O-NH2 3.48Å; N319-R325 VanDerWaalsContact O-NH2 3.14Å; D321-R325 PolarHBondContact O-N 3.38Å; D321-R325 VanDerWaalsContact O-N 3.09Å; K322-R325 PolarHBondContact O-N 3.15Å; R325-V327 VanDerWaalsContact C-N 3.28Å; R325-V327 PolarHBondContact O-N 3.41Å; R325-A328 WeakPolarHBondContact O-CA 3.33Å; R325-A328 WeakPolarHBondContact O-CB 3.2Å; R325-A328 PolarHBondContact O-N 2.85Å; R325-L329 HydrophobicContact CB-CD1 4.3Å; R325-L329 WeakPolarHBondContact O-CD1 3.45Å; R325-L329 PolarHBondContact O-N 2.79Å; R325-D356 IonicContact CZ-OD2 2.76Å; R325-D356 IonicContact NH1-OD2 3.8Å; R325-D356 PolarHBondContact NH1-OD2 2.91Å; R325-I361 HydrophobicContact CB-CD1 3.69Å |
| 326 | Y | 95.1 | Very high | 91.8 | Very high | 78 Ų | 78 | 45.6 Ų | 45.6 | 31% | 0.306 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.9 | -43.5 | -179.1 | -179.8 | -93.2 | 0 | 0 | 0 | 111.6 | K322 N323 T330 I361 R364 | K322-Y326 WeakPolarHBondContact O-CB 3.42Å; K322-Y326 PolarHBondContact O-N 3.19Å; N323-Y326 PolarHBondContact O-N 3.32Å; Y326-T330 VanDerWaalsContact O-CB 3.23Å; Y326-T330 WeakPolarHBondContact O-CB 3.37Å; Y326-T330 PolarHBondContact O-N 2.87Å; Y326-T330 PolarHBondContact O-OG1 2.73Å; Y326-I361 VanDerWaalsContact N-CD1 3.32Å; Y326-R364 HydrophobicContact CD2-CG 3.9Å; Y326-R364 HydrophobicContact CE2-CG 3.44Å; Y326-R364 VanDerWaalsContact CE2-CG 3.44Å; Y326-R364 PolarHBondContact OH-NE 3.32Å; Y326-R364 VanDerWaalsContact OH-NE 3.13Å; Y326-R364 PolarHBondContact OH-NH2 2.87Å; Y326-R364 VanDerWaalsContact OH-NH2 3.08Å |
| 327 | V | 92.9 | Very high | 91.3 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 20% | 0.2 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 173.2 | 166.6 | 0 | 0 | 0 | 0 | 111.6 | Y290 N323 R325 T330 S331 | Y290-V327 HydrophobicContact CD1-CG1 3.86Å; Y290-V327 HydrophobicContact CD2-CG1 3.4Å; Y290-V327 VanDerWaalsContact CD2-CG1 3.4Å; Y290-V327 HydrophobicContact CE1-CG1 4.19Å; Y290-V327 HydrophobicContact CE2-CG1 3.78Å; Y290-V327 HydrophobicContact CG-CG1 3.44Å; Y290-V327 VanDerWaalsContact CG-CG1 3.44Å; N323-V327 WeakPolarHBondContact O-CB 3.43Å; N323-V327 VanDerWaalsContact O-CG2 3.3Å; N323-V327 WeakPolarHBondContact O-CG2 3.37Å; N323-V327 PolarHBondContact O-N 3.31Å; R325-V327 VanDerWaalsContact C-N 3.28Å; R325-V327 PolarHBondContact O-N 3.41Å; V327-T330 PolarHBondContact O-N 3.2Å; V327-S331 WeakPolarHBondContact O-CB 3.39Å; V327-S331 PolarHBondContact O-N 3.47Å; V327-S331 PolarHBondContact O-OG 3.15Å |
| 328 | A | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -50.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F316 L317 I324 R325 T330 S331 L332 | F316-A328 HydrophobicContact CB-CB 3.69Å; L317-A328 HydrophobicContact CD2-CB 3.91Å; L317-A328 HydrophobicContact CG-CB 3.98Å; I324-A328 WeakPolarHBondContact O-CB 3.23Å; I324-A328 PolarHBondContact O-N 3.16Å; R325-A328 WeakPolarHBondContact O-CA 3.33Å; R325-A328 WeakPolarHBondContact O-CB 3.2Å; R325-A328 PolarHBondContact O-N 2.85Å; A328-T330 PolarHBondContact O-N 3.09Å; A328-S331 WeakPolarHBondContact O-CB 3.39Å; A328-S331 PolarHBondContact O-N 3.14Å; A328-L332 WeakPolarHBondContact O-CG 3.39Å; A328-L332 PolarHBondContact O-N 3.41Å |
| 329 | L | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 177.1 | -79.2 | 102.9 | 0 | 0 | 0 | 111.8 | L317 R325 S331 L332 L333 C353 I361 R364 A365 L368 | L317-L329 HydrophobicContact CD2-CD1 3.53Å; L317-L329 HydrophobicContact CD2-CG 3.8Å; R325-L329 HydrophobicContact CB-CD1 4.3Å; R325-L329 WeakPolarHBondContact O-CD1 3.45Å; R325-L329 PolarHBondContact O-N 2.79Å; L329-S331 VanDerWaalsContact C-N 3.27Å; L329-S331 PolarHBondContact O-N 3.31Å; L329-L332 PolarHBondContact O-N 2.86Å; L329-L333 WeakPolarHBondContact O-CB 3.35Å; L329-L333 PolarHBondContact O-N 3.27Å; L329-C353 HydrophobicContact CD2-CB 4.28Å; L329-I361 HydrophobicContact CD1-CG2 4.44Å; L329-R364 HydrophobicContact CB-CB 3.85Å; L329-R364 HydrophobicContact CD2-CB 4.24Å; L329-A365 HydrophobicContact CD2-CB 3.59Å; L329-A365 VanDerWaalsContact CD2-N 3.33Å; L329-L368 HydrophobicContact CB-CD2 4.34Å; L329-L368 HydrophobicContact CD2-CD2 4.22Å; L329-L368 HydrophobicContact CG-CD2 4.22Å |
| 330 | T | 92.8 | Very high | 89.8 | Confident | 23 Ų | 23 | 53.5 Ų | 53.5 | 14% | 0.141 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -32.2 | 176.8 | -56 | 0 | 0 | 0 | 0 | 112.3 | Y326 V327 A328 | Y326-T330 VanDerWaalsContact O-CB 3.23Å; Y326-T330 WeakPolarHBondContact O-CB 3.37Å; Y326-T330 PolarHBondContact O-N 2.87Å; Y326-T330 PolarHBondContact O-OG1 2.73Å; V327-T330 PolarHBondContact O-N 3.2Å; A328-T330 PolarHBondContact O-N 3.09Å |
| 331 | S | 90.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.3 | -53 | 173.3 | -56 | 0 | 0 | 0 | 0 | 110.8 | Y290 V327 A328 L329 L333 K334 T335 | Y290-S331 WeakPolarHBondContact CD2-OG 3.47Å; Y290-S331 WeakPolarHBondContact CE2-OG 3.3Å; V327-S331 WeakPolarHBondContact O-CB 3.39Å; V327-S331 PolarHBondContact O-N 3.47Å; V327-S331 PolarHBondContact O-OG 3.15Å; A328-S331 WeakPolarHBondContact O-CB 3.39Å; A328-S331 PolarHBondContact O-N 3.14Å; L329-S331 VanDerWaalsContact C-N 3.27Å; L329-S331 PolarHBondContact O-N 3.31Å; S331-L333 VanDerWaalsContact C-N 3.28Å; S331-L333 PolarHBondContact O-N 2.82Å; S331-K334 PolarHBondContact O-N 2.91Å; S331-K334 VanDerWaalsContact O-N 3.09Å; S331-T335 PolarHBondContact O-N 3.12Å |
| 332 | L | 91.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -36 | -177.3 | -67.1 | 171.1 | 0 | 0 | 0 | 112 | L313 L317 A328 L329 K334 T335 V336 V343 I350 L368 | L313-L332 HydrophobicContact CB-CD2 3.92Å; L313-L332 HydrophobicContact CB-CG 4.23Å; L313-L332 HydrophobicContact CD1-CD2 3.47Å; L313-L332 VanDerWaalsContact CD1-CD2 3.47Å; L313-L332 HydrophobicContact CD1-CG 3.94Å; L313-L332 HydrophobicContact CG-CD2 4.34Å; L317-L332 HydrophobicContact CD1-CD1 3.64Å; L317-L332 HydrophobicContact CD2-CD1 4.3Å; L317-L332 HydrophobicContact CG-CD1 4.06Å; A328-L332 WeakPolarHBondContact O-CG 3.39Å; A328-L332 PolarHBondContact O-N 3.41Å; L329-L332 PolarHBondContact O-N 2.86Å; L332-K334 VanDerWaalsContact C-N 3.25Å; L332-K334 PolarHBondContact O-N 3Å; L332-T335 WeakPolarHBondContact CA-OG1 3.46Å; L332-T335 PolarHBondContact O-N 2.92Å; L332-T335 VanDerWaalsContact O-N 3.09Å; L332-T335 PolarHBondContact O-OG1 3.05Å; L332-V336 WeakPolarHBondContact O-CG2 3.35Å; L332-V336 PolarHBondContact O-N 2.99Å; L332-V343 HydrophobicContact CB-CG1 4.1Å; L332-V343 HydrophobicContact CD2-CG1 4.06Å; L332-V343 HydrophobicContact CD2-CG2 4.06Å; L332-V343 HydrophobicContact CG-CG1 4.44Å; L332-I350 HydrophobicContact CD1-CD1 4.35Å; L332-L368 HydrophobicContact CB-CD1 4.11Å; L332-L368 HydrophobicContact CB-CD2 3.81Å; L332-L368 HydrophobicContact CD1-CD2 4.37Å |
| 333 | L | 91 | Very high | 88.9 | Confident | 47 Ų | 47 | 47 Ų | 47 | 25% | 0.246 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.2 | -36 | 175.7 | -176.6 | 63.1 | 0 | 0 | 0 | 112.7 | L329 S331 E367 L368 A371 | L329-L333 WeakPolarHBondContact O-CB 3.35Å; L329-L333 PolarHBondContact O-N 3.27Å; S331-L333 VanDerWaalsContact C-N 3.28Å; S331-L333 PolarHBondContact O-N 2.82Å; L333-E367 HydrophobicContact CD1-CB 4.17Å; L333-E367 HydrophobicContact CD2-CB 4.08Å; L333-E367 VanDerWaalsContact CD2-OE2 3.29Å; L333-E367 WeakPolarHBondContact CD2-OE2 3.16Å; L333-L368 HydrophobicContact CB-CD1 4.4Å; L333-L368 HydrophobicContact CD1-CB 4.39Å; L333-A371 HydrophobicContact CD1-CB 4.03Å |
| 334 | K | 85.2 | Confident | 88.6 | Confident | 118 Ų | 118 | 43.5 Ų | 43.5 | 51% | 0.513 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -74 | -38.9 | 173.9 | -65.7 | -174.5 | 175.4 | -168.3 | 0 | 112.3 | L294 S331 L332 | L294-K334 HydrophobicContact CD2-CD 4.48Å; S331-K334 PolarHBondContact O-N 2.91Å; S331-K334 VanDerWaalsContact O-N 3.09Å; L332-K334 VanDerWaalsContact C-N 3.25Å; L332-K334 PolarHBondContact O-N 3Å |
| 335 | T | 84.2 | Confident | 88.5 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -84.4 | -13.2 | -172.3 | 65.6 | 0 | 0 | 0 | 0 | 114.9 | M297 S331 L332 Q337 T338 D339 | M297-T335 HydrophobicContact CB-CG2 3.5Å; M297-T335 HydrophobicContact CE-CG2 4.09Å; M297-T335 HydrophobicContact CG-CG2 3.81Å; S331-T335 PolarHBondContact O-N 3.12Å; L332-T335 WeakPolarHBondContact CA-OG1 3.46Å; L332-T335 PolarHBondContact O-N 2.92Å; L332-T335 VanDerWaalsContact O-N 3.09Å; L332-T335 PolarHBondContact O-OG1 3.05Å; T335-Q337 PolarHBondContact O-N 3.45Å; T335-T338 PolarHBondContact O-N 3.07Å; T335-D339 PolarHBondContact O-N 2.95Å |
| 336 | V | 86.6 | Confident | 88.3 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 7% | 0.073 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.5 | -36.5 | 174.3 | 159.2 | 0 | 0 | 0 | 0 | 112.5 | L332 T338 H340 V343 L368 A371 L372 | L332-V336 WeakPolarHBondContact O-CG2 3.35Å; L332-V336 PolarHBondContact O-N 2.99Å; V336-T338 VanDerWaalsContact C-N 3.28Å; V336-T338 PolarHBondContact O-N 3.18Å; V336-H340 WeakPolarHBondContact O-CA 3.49Å; V336-H340 WeakPolarHBondContact O-CB 3.41Å; V336-H340 PolarHBondContact O-N 2.94Å; V336-V343 HydrophobicContact CG2-CB 4.01Å; V336-V343 HydrophobicContact CG2-CG1 3.8Å; V336-V343 HydrophobicContact CG2-CG2 4.05Å; V336-L368 HydrophobicContact CG2-CD1 3.72Å; V336-A371 HydrophobicContact CG1-CB 4.08Å; V336-A371 WeakPolarHBondContact CG1-O 3.33Å; V336-L372 HydrophobicContact CG2-CD2 3.81Å; V336-L372 HydrophobicContact CG2-CG 4.2Å |
| 337 | Q | 81.6 | Confident | 88.1 | Confident | 173 Ų | 173 | 51.9 Ų | 51.9 | 81% | 0.808 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -66.2 | -29.5 | 177.8 | -62.1 | -174.9 | 3.9 | 0 | 0 | 112.9 | T335 | T335-Q337 PolarHBondContact O-N 3.45Å |
| 338 | T | 80.8 | Confident | 88.2 | Confident | 72 Ų | 72 | 53.9 Ų | 53.9 | 44% | 0.442 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -90.5 | -48.9 | -177.8 | -46.8 | 0 | 0 | 0 | 0 | 112.4 | T335 V336 | T335-T338 PolarHBondContact O-N 3.07Å; V336-T338 VanDerWaalsContact C-N 3.28Å; V336-T338 PolarHBondContact O-N 3.18Å |
| 339 | D | 81.2 | Confident | 88.2 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -135.3 | 45.2 | -166.2 | -84.8 | -62.2 | 0 | 0 | 0 | 112.6 | M297 R306 I310 T335 N341 A342 V343 | M297-D339 HydrophobicContact CE-CB 3.97Å; R306-D339 VanDerWaalsContact CD-OD2 3.23Å; R306-D339 WeakPolarHBondContact CD-OD2 3.41Å; R306-D339 IonicContact CZ-OD2 3.92Å; R306-D339 IonicContact NE-OD2 3.5Å; R306-D339 IonicContact NH1-OD2 2.78Å; R306-D339 PolarHBondContact NH1-OD2 3Å; I310-D339 HydrophobicContact CD1-CB 4.34Å; T335-D339 PolarHBondContact O-N 2.95Å; D339-N341 VanDerWaalsContact C-N 3.29Å; D339-N341 PolarHBondContact O-N 3.04Å; D339-N341 VanDerWaalsContact O-N 3.08Å; D339-A342 PolarHBondContact O-N 2.84Å; D339-V343 PolarHBondContact O-N 2.83Å |
| 340 | H | 85.3 | Confident | 88.2 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 26% | 0.259 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -38.4 | -50.3 | -179.4 | -175.1 | 78.5 | 0 | 0 | 0 | 114.6 | V336 A342 V343 Q344 A371 L372 N374 | V336-H340 WeakPolarHBondContact O-CA 3.49Å; V336-H340 WeakPolarHBondContact O-CB 3.41Å; V336-H340 PolarHBondContact O-N 2.94Å; H340-A342 PolarHBondContact O-N 3.12Å; H340-V343 PolarHBondContact O-N 3.25Å; H340-V343 VanDerWaalsContact O-N 3.16Å; H340-Q344 PolarHBondContact CE1-NE2 3.34Å; H340-Q344 PolarHBondContact NE2-NE2 3.15Å; H340-Q344 WeakPolarHBondContact O-CG 3.25Å; H340-Q344 PolarHBondContact O-N 2.82Å; H340-A371 PolarHBondContact CE1-O 3.02Å; H340-L372 WeakPolarHBondContact CE1-CA 3.36Å; H340-L372 PolarHBondContact CE1-O 2.63Å; H340-N374 WeakPolarHBondContact NE2-CB 3.45Å; H340-N374 PolarHBondContact NE2-ND2 2.85Å |
| 341 | N | 86.4 | Confident | 88.2 | Confident | 136 Ų | 136 | 55 Ų | 55 | 73% | 0.727 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.2 | -27.6 | -176 | -73.4 | -26.3 | 0 | 0 | 0 | 114 | D339 | D339-N341 VanDerWaalsContact C-N 3.29Å; D339-N341 PolarHBondContact O-N 3.04Å; D339-N341 VanDerWaalsContact O-N 3.08Å |
| 342 | A | 85.2 | Confident | 88.4 | Confident | 17 Ų | 17 | 59.1 Ų | 59.1 | 14% | 0.14 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -82.2 | -36.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I310 D339 H340 R345 | I310-A342 HydrophobicContact CD1-CB 3.37Å; I310-A342 HydrophobicContact CG2-CB 4.39Å; D339-A342 PolarHBondContact O-N 2.84Å; H340-A342 PolarHBondContact O-N 3.12Å; A342-R345 WeakPolarHBondContact O-CB 3.43Å; A342-R345 WeakPolarHBondContact O-CG 3.36Å; A342-R345 PolarHBondContact O-N 2.83Å |
| 343 | V | 87.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.6 | -36 | 174.5 | -172 | 0 | 0 | 0 | 0 | 111.9 | L332 V336 D339 H340 R345 H346 I350 L368 L372 | L332-V343 HydrophobicContact CB-CG1 4.1Å; L332-V343 HydrophobicContact CD2-CG1 4.06Å; L332-V343 HydrophobicContact CD2-CG2 4.06Å; L332-V343 HydrophobicContact CG-CG1 4.44Å; V336-V343 HydrophobicContact CG2-CB 4.01Å; V336-V343 HydrophobicContact CG2-CG1 3.8Å; V336-V343 HydrophobicContact CG2-CG2 4.05Å; D339-V343 PolarHBondContact O-N 2.83Å; H340-V343 PolarHBondContact O-N 3.25Å; H340-V343 VanDerWaalsContact O-N 3.16Å; V343-R345 PolarHBondContact O-N 3.28Å; V343-H346 PolarHBondContact O-N 2.92Å; V343-I350 HydrophobicContact CG1-CD1 4.25Å; V343-L368 HydrophobicContact CG1-CD1 4.44Å; V343-L372 HydrophobicContact CB-CD2 4.07Å; V343-L372 HydrophobicContact CG1-CD1 4.23Å; V343-L372 HydrophobicContact CG1-CD2 3.83Å; V343-L372 HydrophobicContact CG1-CG 4.5Å |
| 344 | Q | 87.9 | Confident | 88.7 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -53 | -25.3 | 175.4 | -71.6 | -72.8 | -32.8 | 0 | 0 | 113.7 | H340 H346 R347 L372 N374 N377 | H340-Q344 PolarHBondContact CE1-NE2 3.34Å; H340-Q344 PolarHBondContact NE2-NE2 3.15Å; H340-Q344 WeakPolarHBondContact O-CG 3.25Å; H340-Q344 PolarHBondContact O-N 2.82Å; Q344-H346 PolarHBondContact O-N 3.16Å; Q344-R347 VanDerWaalsContact O-CB 3.26Å; Q344-R347 WeakPolarHBondContact O-CB 3.38Å; Q344-R347 PolarHBondContact O-N 2.71Å; Q344-L372 HydrophobicContact CG-CD2 4.26Å; Q344-L372 VanDerWaalsContact NE2-CD2 3.34Å; Q344-L372 PolarHBondContact NE2-O 3.37Å; Q344-N374 PolarHBondContact NE2-ND2 2.92Å; Q344-N377 PolarHBondContact OE1-ND2 2.69Å; Q344-N377 VanDerWaalsContact OE1-ND2 3.1Å |
| 345 | R | 89.5 | Confident | 89.1 | Confident | 171 Ų | 171 | 58.2 Ų | 58.2 | 65% | 0.645 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -62.7 | -28.2 | 176.9 | -60.9 | 177.6 | -179.6 | 175.4 | -0.1 | 113 | A342 V343 | A342-R345 WeakPolarHBondContact O-CB 3.43Å; A342-R345 WeakPolarHBondContact O-CG 3.36Å; A342-R345 PolarHBondContact O-N 2.83Å; V343-R345 PolarHBondContact O-N 3.28Å |
| 346 | H | 91.3 | Very high | 89.5 | Confident | 35 Ų | 35 | 59 Ų | 59 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -98.3 | 9.3 | -179.2 | -60.6 | -70.3 | 0 | 0 | 0 | 113.3 | L317 V343 Q344 S348 T349 I350 | L317-H346 HydrophobicContact CD1-CB 3.86Å; V343-H346 PolarHBondContact O-N 2.92Å; Q344-H346 PolarHBondContact O-N 3.16Å; H346-S348 VanDerWaalsContact C-N 3.28Å; H346-S348 PolarHBondContact O-N 2.9Å; H346-T349 PolarHBondContact O-N 3.32Å; H346-T349 VanDerWaalsContact O-N 3.15Å; H346-I350 HydrophobicContact CB-CD1 4.19Å; H346-I350 WeakPolarHBondContact O-CG1 3.41Å; H346-I350 PolarHBondContact O-N 3.38Å |
| 347 | R | 92 | Very high | 89.8 | Confident | 108 Ų | 108 | 65.9 Ų | 65.9 | 41% | 0.408 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -54.2 | -38.2 | -175.4 | -169.9 | -166.8 | 78.4 | -164 | 3.6 | 113.7 | Q344 I350 V351 M381 | Q344-R347 VanDerWaalsContact O-CB 3.26Å; Q344-R347 WeakPolarHBondContact O-CB 3.38Å; Q344-R347 PolarHBondContact O-N 2.71Å; R347-I350 PolarHBondContact O-N 3.2Å; R347-V351 WeakPolarHBondContact O-CG2 3.18Å; R347-V351 PolarHBondContact O-N 3.48Å; R347-M381 HydrophobicContact CG-CE 4.43Å; R347-M381 HydrophobicContact CG-SD 4.27Å |
| 348 | S | 93.2 | Very high | 90.5 | Very high | 75 Ų | 75 | 59.6 Ų | 59.6 | 52% | 0.524 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.1 | -54.9 | 176.4 | 43 | 0 | 0 | 0 | 0 | 111.4 | H346 I350 V351 D352 | H346-S348 VanDerWaalsContact C-N 3.28Å; H346-S348 PolarHBondContact O-N 2.9Å; S348-I350 PolarHBondContact O-N 2.94Å; S348-V351 PolarHBondContact O-N 3.49Å; S348-V351 VanDerWaalsContact O-N 3.1Å; S348-D352 PolarHBondContact O-N 3.32Å |
| 349 | T | 93.9 | Very high | 91.1 | Very high | 32 Ų | 32 | 59 Ų | 59 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.5 | -34.9 | 178 | -46.6 | 0 | 0 | 0 | 0 | 112.7 | L317 L318 H346 D352 C353 | L317-T349 HydrophobicContact CB-CG2 4.05Å; L317-T349 HydrophobicContact CD1-CG2 4.41Å; L318-T349 HydrophobicContact CD2-CG2 3.81Å; H346-T349 PolarHBondContact O-N 3.32Å; H346-T349 VanDerWaalsContact O-N 3.15Å; T349-D352 PolarHBondContact O-N 2.98Å; T349-C353 PolarHBondContact O-N 3.09Å; T349-C353 PolarHBondContact O-SG 3.3Å |
| 350 | I | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.9 | -42.4 | 176.5 | -65.8 | 162.8 | 0 | 0 | 0 | 111.3 | L317 L332 V343 H346 R347 S348 D352 C353 L368 L372 | L317-I350 HydrophobicContact CD1-CG1 4.1Å; L332-I350 HydrophobicContact CD1-CD1 4.35Å; V343-I350 HydrophobicContact CG1-CD1 4.25Å; H346-I350 HydrophobicContact CB-CD1 4.19Å; H346-I350 WeakPolarHBondContact O-CG1 3.41Å; H346-I350 PolarHBondContact O-N 3.38Å; R347-I350 PolarHBondContact O-N 3.2Å; S348-I350 PolarHBondContact O-N 2.94Å; I350-D352 VanDerWaalsContact C-N 3.33Å; I350-C353 WeakPolarHBondContact O-CB 3.27Å; I350-C353 PolarHBondContact O-N 2.89Å; I350-L368 HydrophobicContact CD1-CD2 3.68Å; I350-L368 HydrophobicContact CD1-CG 4.12Å; I350-L368 HydrophobicContact CG1-CD2 3.91Å; I350-L368 HydrophobicContact CG2-CB 4.28Å; I350-L368 HydrophobicContact CG2-CD2 3.88Å; I350-L368 HydrophobicContact CG2-CG 3.88Å; I350-L372 HydrophobicContact CD1-CD1 3.66Å; I350-L372 HydrophobicContact CG2-CD1 4.39Å |
| 351 | V | 93.8 | Very high | 92.2 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 10% | 0.097 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.9 | -35.8 | 173.5 | 168.4 | 0 | 0 | 0 | 0 | 111.2 | R347 S348 C353 L354 E384 | R347-V351 WeakPolarHBondContact O-CG2 3.18Å; R347-V351 PolarHBondContact O-N 3.48Å; S348-V351 PolarHBondContact O-N 3.49Å; S348-V351 VanDerWaalsContact O-N 3.1Å; V351-C353 VanDerWaalsContact C-N 3.28Å; V351-C353 PolarHBondContact O-N 2.94Å; V351-L354 HydrophobicContact CG1-CD1 4.34Å; V351-L354 VanDerWaalsContact O-CB 3.23Å; V351-L354 WeakPolarHBondContact O-CB 3.3Å; V351-L354 WeakPolarHBondContact O-CG 3.31Å; V351-L354 PolarHBondContact O-N 3.29Å; V351-L354 VanDerWaalsContact O-N 3.12Å; V351-E384 HydrophobicContact CG1-CB 4.08Å; V351-E384 HydrophobicContact CG1-CG 3.98Å |
| 352 | D | 93.6 | Very high | 92.6 | Very high | 86 Ų | 86 | 51.6 Ų | 51.6 | 46% | 0.46 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.5 | -26.4 | 173.6 | -69.5 | -40.6 | 0 | 0 | 0 | 112.7 | S348 T349 I350 L354 K355 | S348-D352 PolarHBondContact O-N 3.32Å; T349-D352 PolarHBondContact O-N 2.98Å; I350-D352 VanDerWaalsContact C-N 3.33Å; D352-L354 PolarHBondContact O-N 3.18Å; D352-K355 WeakPolarHBondContact O-CB 3.47Å; D352-K355 PolarHBondContact O-N 3.33Å; D352-K355 IonicContact OD1-NZ 3.16Å; D352-K355 PolarHBondContact OD1-NZ 3.24Å |
| 353 | C | 94.8 | Very high | 93.1 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 7% | 0.068 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -68.8 | -15.3 | 170.6 | -70.3 | 0 | 0 | 0 | 0 | 114 | L329 T349 I350 V351 K355 D356 I361 A365 | L329-C353 HydrophobicContact CD2-CB 4.28Å; T349-C353 PolarHBondContact O-N 3.09Å; T349-C353 PolarHBondContact O-SG 3.3Å; I350-C353 WeakPolarHBondContact O-CB 3.27Å; I350-C353 PolarHBondContact O-N 2.89Å; V351-C353 VanDerWaalsContact C-N 3.28Å; V351-C353 PolarHBondContact O-N 2.94Å; C353-K355 PolarHBondContact O-N 2.4Å; C353-D356 WeakPolarHBondContact O-CB 3.39Å; C353-D356 PolarHBondContact O-N 3Å; C353-I361 HydrophobicContact CB-CG2 3.95Å; C353-A365 HydrophobicContact CB-CB 3.78Å |
| 354 | L | 94.1 | Very high | 93.5 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -65.8 | -19.3 | 167.5 | -60 | 170.1 | 0 | 0 | 0 | 112.1 | V351 D352 A365 M366 F388 | V351-L354 HydrophobicContact CG1-CD1 4.34Å; V351-L354 VanDerWaalsContact O-CB 3.23Å; V351-L354 WeakPolarHBondContact O-CB 3.3Å; V351-L354 WeakPolarHBondContact O-CG 3.31Å; V351-L354 PolarHBondContact O-N 3.29Å; V351-L354 VanDerWaalsContact O-N 3.12Å; D352-L354 PolarHBondContact O-N 3.18Å; L354-A365 HydrophobicContact CD2-CB 3.77Å; L354-A365 HydrophobicContact CG-CB 4.24Å; L354-M366 HydrophobicContact CD2-CB 4.1Å; L354-F388 HydrophobicContact CB-CD2 3.89Å; L354-F388 HydrophobicContact CB-CE2 4.18Å; L354-F388 HydrophobicContact CD2-CD2 4.42Å; L354-F388 HydrophobicContact CD2-CE2 4.42Å; L354-F388 WeakPolarHBondContact O-CE2 3.47Å |
| 355 | K | 93.1 | Very high | 93.9 | Very high | 124 Ų | 124 | 55 Ų | 55 | 54% | 0.539 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -97.6 | 4.1 | -179.1 | -51.9 | 162 | -166.5 | 162.6 | 0 | 112.1 | D352 C353 | D352-K355 WeakPolarHBondContact O-CB 3.47Å; D352-K355 PolarHBondContact O-N 3.33Å; D352-K355 IonicContact OD1-NZ 3.16Å; D352-K355 PolarHBondContact OD1-NZ 3.24Å; C353-K355 PolarHBondContact O-N 2.4Å |
| 356 | D | 93.9 | Very high | 94.1 | Very high | 20 Ų | 20 | 47 Ų | 47 | 11% | 0.107 | 24% | 0.24 | C | C | . | . | trans | -68.3 | 147.9 | 174.8 | -159.1 | -55.3 | 0 | 0 | 0 | 110.2 | K322 R325 C353 D358 I361 K362 | K322-D356 IonicContact NZ-OD1 3.35Å; R325-D356 IonicContact CZ-OD2 2.76Å; R325-D356 IonicContact NH1-OD2 3.8Å; R325-D356 PolarHBondContact NH1-OD2 2.91Å; C353-D356 WeakPolarHBondContact O-CB 3.39Å; C353-D356 PolarHBondContact O-N 3Å; D356-D358 PolarHBondContact O-N 2.68Å; D356-D358 PolarHBondContact OD1-N 2.95Å; D356-I361 HydrophobicContact CB-CB 4.09Å; D356-I361 HydrophobicContact CB-CG2 3.73Å; D356-K362 VanDerWaalsContact O-CD 3.26Å; D356-K362 WeakPolarHBondContact O-CD 3.5Å; D356-K362 WeakPolarHBondContact O-CE 3.44Å; D356-K362 VanDerWaalsContact O-CG 3.3Å; D356-K362 WeakPolarHBondContact O-CG 3.35Å | ||
| 357 | L | 92.3 | Very high | 94.3 | Very high | 157 Ų | 157 | 47.9 Ų | 47.9 | 82% | 0.822 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -74.2 | -15.3 | 176.7 | -60.3 | 177.4 | 0 | 0 | 0 | 112.1 | ||
| 358 | D | 95.2 | Very high | 94.5 | Very high | 40 Ų | 40 | 42.7 Ų | 42.7 | 21% | 0.214 | 22% | 0.224 | C | C | . | . | trans | -79.5 | 124.4 | 178.6 | -147.2 | -83 | 0 | 0 | 0 | 113.8 | K322 D356 S360 I361 K362 | K322-D358 HydrophobicContact CD-CB 4.2Å; K322-D358 WeakPolarHBondContact CD-OD2 3.45Å; K322-D358 WeakPolarHBondContact CE-OD2 3.48Å; K322-D358 VanDerWaalsContact NZ-CB 3.34Å; K322-D358 IonicContact NZ-OD2 3.61Å; K322-D358 PolarHBondContact NZ-OD2 3Å; D356-D358 PolarHBondContact O-N 2.68Å; D356-D358 PolarHBondContact OD1-N 2.95Å; D358-S360 VanDerWaalsContact C-N 3.26Å; D358-S360 PolarHBondContact O-N 3.22Å; D358-S360 VanDerWaalsContact OD1-CB 3.23Å; D358-S360 WeakPolarHBondContact OD1-CB 3.34Å; D358-S360 PolarHBondContact OD1-N 3.16Å; D358-S360 PolarHBondContact OD1-OG 2.85Å; D358-I361 HydrophobicContact CB-CB 3.89Å; D358-I361 HydrophobicContact CB-CG1 3.65Å; D358-I361 PolarHBondContact O-N 3.47Å; D358-K362 WeakPolarHBondContact O-CB 3.47Å; D358-K362 WeakPolarHBondContact O-CG 3.4Å; D358-K362 PolarHBondContact O-N 3.42Å | ||
| 359 | V | 93.9 | Very high | 94.5 | Very high | 59 Ų | 59 | 39.1 Ų | 39.1 | 36% | 0.358 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -54.5 | -41.8 | 171.5 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | I361 K362 R363 E395 F396 | V359-I361 PolarHBondContact O-N 3.47Å; V359-K362 PolarHBondContact O-N 2.86Å; V359-R363 WeakPolarHBondContact O-CB 3.46Å; V359-R363 PolarHBondContact O-N 3.16Å; V359-E395 VanDerWaalsContact CG1-OE1 3.27Å; V359-E395 WeakPolarHBondContact CG1-OE1 3.49Å; V359-E395 WeakPolarHBondContact CG1-OE2 3.39Å; V359-F396 HydrophobicContact CB-CZ 4.41Å; V359-F396 HydrophobicContact CG1-CE2 4.48Å; V359-F396 HydrophobicContact CG1-CZ 3.88Å; V359-F396 WeakPolarHBondContact O-CZ 3.36Å |
| 360 | S | 95.1 | Very high | 94.6 | Very high | 59 Ų | 59 | 39.3 Ų | 39.3 | 41% | 0.413 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.5 | -34 | -176.7 | -44.2 | 0 | 0 | 0 | 0 | 112.1 | D358 R364 | D358-S360 VanDerWaalsContact C-N 3.26Å; D358-S360 PolarHBondContact O-N 3.22Å; D358-S360 VanDerWaalsContact OD1-CB 3.23Å; D358-S360 WeakPolarHBondContact OD1-CB 3.34Å; D358-S360 PolarHBondContact OD1-N 3.16Å; D358-S360 PolarHBondContact OD1-OG 2.85Å; S360-R364 PolarHBondContact O-N 3.39Å |
| 361 | I | 95.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.3 | -48.9 | 174.9 | -59.1 | -61.2 | 0 | 0 | 0 | 110.1 | R325 Y326 L329 C353 D356 D358 V359 R363 R364 A365 | R325-I361 HydrophobicContact CB-CD1 3.69Å; Y326-I361 VanDerWaalsContact N-CD1 3.32Å; L329-I361 HydrophobicContact CD1-CG2 4.44Å; C353-I361 HydrophobicContact CB-CG2 3.95Å; D356-I361 HydrophobicContact CB-CB 4.09Å; D356-I361 HydrophobicContact CB-CG2 3.73Å; D358-I361 HydrophobicContact CB-CB 3.89Å; D358-I361 HydrophobicContact CB-CG1 3.65Å; D358-I361 PolarHBondContact O-N 3.47Å; V359-I361 PolarHBondContact O-N 3.47Å; I361-R363 VanDerWaalsContact C-N 3.28Å; I361-R363 PolarHBondContact O-N 3.47Å; I361-R364 PolarHBondContact O-N 2.97Å; I361-A365 WeakPolarHBondContact O-CB 3.46Å; I361-A365 PolarHBondContact O-N 2.84Å |
| 362 | K | 94.7 | Very high | 94.5 | Very high | 26 Ų | 26 | 40.4 Ų | 40.4 | 11% | 0.113 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -53.3 | -45.5 | 175.2 | -77.1 | -172.8 | -74.7 | 179.4 | 0 | 111.8 | D356 D358 V359 A365 M366 F388 D393 F396 | D356-K362 VanDerWaalsContact O-CD 3.26Å; D356-K362 WeakPolarHBondContact O-CD 3.5Å; D356-K362 WeakPolarHBondContact O-CE 3.44Å; D356-K362 VanDerWaalsContact O-CG 3.3Å; D356-K362 WeakPolarHBondContact O-CG 3.35Å; D358-K362 WeakPolarHBondContact O-CB 3.47Å; D358-K362 WeakPolarHBondContact O-CG 3.4Å; D358-K362 PolarHBondContact O-N 3.42Å; V359-K362 PolarHBondContact O-N 2.86Å; K362-A365 PolarHBondContact O-N 2.78Å; K362-M366 VanDerWaalsContact O-CB 3.31Å; K362-M366 WeakPolarHBondContact O-CB 3.25Å; K362-M366 PolarHBondContact O-N 2.87Å; K362-F388 HydrophobicContact CB-CZ 4.5Å; K362-F388 HydrophobicContact CD-CE2 4.27Å; K362-F388 HydrophobicContact CG-CE2 4.49Å; K362-D393 IonicContact NZ-OD1 2.66Å; K362-D393 IonicContact NZ-OD2 2.69Å; K362-D393 PolarHBondContact NZ-OD2 3.06Å; K362-F396 HydrophobicContact CB-CE1 4.26Å; K362-F396 HydrophobicContact CB-CE2 4.27Å; K362-F396 HydrophobicContact CB-CZ 3.82Å; K362-F396 HydrophobicContact CD-CE2 4.46Å |
| 363 | R | 95.4 | Very high | 94.5 | Very high | 54 Ų | 54 | 36.4 Ų | 36.4 | 20% | 0.204 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.4 | -52.8 | 178.4 | -162.9 | 158.9 | -77.5 | -77.5 | 1.6 | 112.5 | V359 I361 A365 M366 E367 E395 F396 D399 | V359-R363 WeakPolarHBondContact O-CB 3.46Å; V359-R363 PolarHBondContact O-N 3.16Å; I361-R363 VanDerWaalsContact C-N 3.28Å; I361-R363 PolarHBondContact O-N 3.47Å; R363-A365 PolarHBondContact O-N 2.79Å; R363-M366 PolarHBondContact O-N 3.44Å; R363-E367 WeakPolarHBondContact O-CG 3.04Å; R363-E367 PolarHBondContact O-N 3.15Å; R363-E367 VanDerWaalsContact O-N 3.07Å; R363-E395 IonicContact CZ-OE2 3.5Å; R363-E395 IonicContact NE-OE2 3.49Å; R363-E395 PolarHBondContact NH2-O 3.3Å; R363-E395 IonicContact NH2-OE2 3.51Å; R363-E395 PolarHBondContact NH2-OE2 3.21Å; R363-F396 HydrophobicContact CB-CE1 3.79Å; R363-F396 HydrophobicContact CB-CZ 4.47Å; R363-F396 HydrophobicContact CG-CE1 4.23Å; R363-D399 IonicContact CZ-OD2 3.71Å; R363-D399 IonicContact NH1-OD2 3.43Å; R363-D399 PolarHBondContact NH1-OD2 3.33Å; R363-D399 IonicContact NH2-OD2 2.67Å |
| 364 | R | 95.3 | Very high | 94.3 | Very high | 70 Ų | 70 | 37 Ų | 37 | 26% | 0.264 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70.1 | -30.3 | 177.9 | -60.5 | -54.7 | -179.3 | -151.4 | -9.9 | 113.2 | Y326 L329 S360 I361 E367 L368 | Y326-R364 HydrophobicContact CD2-CG 3.9Å; Y326-R364 HydrophobicContact CE2-CG 3.44Å; Y326-R364 VanDerWaalsContact CE2-CG 3.44Å; Y326-R364 PolarHBondContact OH-NE 3.32Å; Y326-R364 VanDerWaalsContact OH-NE 3.13Å; Y326-R364 PolarHBondContact OH-NH2 2.87Å; Y326-R364 VanDerWaalsContact OH-NH2 3.08Å; L329-R364 HydrophobicContact CB-CB 3.85Å; L329-R364 HydrophobicContact CD2-CB 4.24Å; S360-R364 PolarHBondContact O-N 3.39Å; I361-R364 PolarHBondContact O-N 2.97Å; R364-E367 WeakPolarHBondContact CD-OE2 3.36Å; R364-E367 IonicContact CZ-OE1 3.4Å; R364-E367 IonicContact CZ-OE2 2.64Å; R364-E367 IonicContact NE-OE2 3.32Å; R364-E367 IonicContact NH1-OE1 2.68Å; R364-E367 PolarHBondContact NH1-OE1 3.03Å; R364-E367 IonicContact NH1-OE2 3.51Å; R364-E367 PolarHBondContact NH1-OE2 2.73Å; R364-L368 WeakPolarHBondContact O-CB 3.07Å; R364-L368 PolarHBondContact O-N 3Å |
| 365 | A | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.5 | -39.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L329 C353 L354 I361 K362 R363 S369 | L329-A365 HydrophobicContact CD2-CB 3.59Å; L329-A365 VanDerWaalsContact CD2-N 3.33Å; C353-A365 HydrophobicContact CB-CB 3.78Å; L354-A365 HydrophobicContact CD2-CB 3.77Å; L354-A365 HydrophobicContact CG-CB 4.24Å; I361-A365 WeakPolarHBondContact O-CB 3.46Å; I361-A365 PolarHBondContact O-N 2.84Å; K362-A365 PolarHBondContact O-N 2.78Å; R363-A365 PolarHBondContact O-N 2.79Å; A365-S369 WeakPolarHBondContact O-CB 3.41Å; A365-S369 PolarHBondContact O-N 2.94Å; A365-S369 PolarHBondContact O-OG 2.88Å |
| 366 | M | 95.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.5 | -52.9 | 174.7 | 178.1 | -175.7 | 71.5 | 0 | 0 | 111.4 | L354 K362 R363 L368 S369 F370 F388 F396 D399 C400 | L354-M366 HydrophobicContact CD2-CB 4.1Å; K362-M366 VanDerWaalsContact O-CB 3.31Å; K362-M366 WeakPolarHBondContact O-CB 3.25Å; K362-M366 PolarHBondContact O-N 2.87Å; R363-M366 PolarHBondContact O-N 3.44Å; M366-L368 PolarHBondContact O-N 3.23Å; M366-S369 PolarHBondContact O-N 3.14Å; M366-F370 HydrophobicContact CG-CD2 3.92Å; M366-F370 HydrophobicContact CG-CE2 3.46Å; M366-F370 VanDerWaalsContact CG-CE2 3.46Å; M366-F370 HydrophobicContact CG-CZ 4.47Å; M366-F370 WeakPolarHBondContact O-CD2 3.35Å; M366-F370 PolarHBondContact O-N 2.61Å; M366-F370 HydrophobicContact SD-CE2 4.26Å; M366-F388 HydrophobicContact CB-CE1 4.31Å; M366-F388 HydrophobicContact CG-CE1 4.2Å; M366-F388 HydrophobicContact SD-CE1 3.88Å; M366-F396 HydrophobicContact CE-CD1 4.06Å; M366-F396 HydrophobicContact SD-CD1 4.22Å; M366-D399 HydrophobicContact CE-CB 3.57Å; M366-D399 HydrophobicContact SD-CB 4.37Å; M366-C400 HydrophobicContact SD-CB 3.69Å |
| 367 | E | 94.9 | Very high | 94 | Very high | 53 Ų | 53 | 40 Ų | 40 | 25% | 0.248 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.3 | -49.1 | 176.1 | -69.4 | 164.8 | -166.2 | 0 | 0 | 112 | L333 R363 R364 S369 F370 A371 | L333-E367 HydrophobicContact CD1-CB 4.17Å; L333-E367 HydrophobicContact CD2-CB 4.08Å; L333-E367 VanDerWaalsContact CD2-OE2 3.29Å; L333-E367 WeakPolarHBondContact CD2-OE2 3.16Å; R363-E367 WeakPolarHBondContact O-CG 3.04Å; R363-E367 PolarHBondContact O-N 3.15Å; R363-E367 VanDerWaalsContact O-N 3.07Å; R364-E367 WeakPolarHBondContact CD-OE2 3.36Å; R364-E367 IonicContact CZ-OE1 3.4Å; R364-E367 IonicContact CZ-OE2 2.64Å; R364-E367 IonicContact NE-OE2 3.32Å; R364-E367 IonicContact NH1-OE1 2.68Å; R364-E367 PolarHBondContact NH1-OE1 3.03Å; R364-E367 IonicContact NH1-OE2 3.51Å; R364-E367 PolarHBondContact NH1-OE2 2.73Å; E367-S369 VanDerWaalsContact C-N 3.35Å; E367-S369 PolarHBondContact O-N 3.06Å; E367-F370 PolarHBondContact O-N 2.91Å; E367-A371 WeakPolarHBondContact O-CB 3.46Å; E367-A371 PolarHBondContact O-N 2.91Å |
| 368 | L | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.7 | -33.9 | 178.1 | -178.2 | 57 | 0 | 0 | 0 | 112.5 | L329 L332 L333 V336 V343 I350 R364 M366 A371 L372 | L329-L368 HydrophobicContact CB-CD2 4.34Å; L329-L368 HydrophobicContact CD2-CD2 4.22Å; L329-L368 HydrophobicContact CG-CD2 4.22Å; L332-L368 HydrophobicContact CB-CD1 4.11Å; L332-L368 HydrophobicContact CB-CD2 3.81Å; L332-L368 HydrophobicContact CD1-CD2 4.37Å; L333-L368 HydrophobicContact CB-CD1 4.4Å; L333-L368 HydrophobicContact CD1-CB 4.39Å; V336-L368 HydrophobicContact CG2-CD1 3.72Å; V343-L368 HydrophobicContact CG1-CD1 4.44Å; I350-L368 HydrophobicContact CD1-CD2 3.68Å; I350-L368 HydrophobicContact CD1-CG 4.12Å; I350-L368 HydrophobicContact CG1-CD2 3.91Å; I350-L368 HydrophobicContact CG2-CB 4.28Å; I350-L368 HydrophobicContact CG2-CD2 3.88Å; I350-L368 HydrophobicContact CG2-CG 3.88Å; R364-L368 WeakPolarHBondContact O-CB 3.07Å; R364-L368 PolarHBondContact O-N 3Å; M366-L368 PolarHBondContact O-N 3.23Å; L368-A371 PolarHBondContact O-N 2.92Å; L368-L372 HydrophobicContact CD1-CD1 4.18Å; L368-L372 HydrophobicContact CD1-CG 4.29Å; L368-L372 HydrophobicContact CG-CD1 4.11Å; L368-L372 WeakPolarHBondContact O-CB 3.36Å; L368-L372 VanDerWaalsContact O-CG 3.25Å; L368-L372 WeakPolarHBondContact O-CG 3.47Å; L368-L372 PolarHBondContact O-N 2.98Å |
| 369 | S | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -44.2 | 173.4 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | A365 M366 E367 L372 V373 M381 | A365-S369 WeakPolarHBondContact O-CB 3.41Å; A365-S369 PolarHBondContact O-N 2.94Å; A365-S369 PolarHBondContact O-OG 2.88Å; M366-S369 PolarHBondContact O-N 3.14Å; E367-S369 VanDerWaalsContact C-N 3.35Å; E367-S369 PolarHBondContact O-N 3.06Å; S369-L372 PolarHBondContact O-N 2.92Å; S369-V373 WeakPolarHBondContact O-CG2 3.36Å; S369-V373 PolarHBondContact O-N 2.64Å; S369-M381 WeakPolarHBondContact O-CE 3.39Å |
| 370 | F | 94.7 | Very high | 94 | Very high | 35 Ų | 35 | 36.9 Ų | 36.9 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 175.2 | -71.8 | -57.8 | 0 | 0 | 0 | 112 | M366 E367 L372 V373 L385 C400 V404 A407 | M366-F370 HydrophobicContact CG-CD2 3.92Å; M366-F370 HydrophobicContact CG-CE2 3.46Å; M366-F370 VanDerWaalsContact CG-CE2 3.46Å; M366-F370 HydrophobicContact CG-CZ 4.47Å; M366-F370 WeakPolarHBondContact O-CD2 3.35Å; M366-F370 PolarHBondContact O-N 2.61Å; M366-F370 HydrophobicContact SD-CE2 4.26Å; E367-F370 PolarHBondContact O-N 2.91Å; F370-L372 PolarHBondContact O-N 3.27Å; F370-V373 WeakPolarHBondContact O-CB 3.41Å; F370-V373 PolarHBondContact O-N 3.13Å; F370-V373 VanDerWaalsContact O-N 3.1Å; F370-L385 HydrophobicContact CD1-CD1 3.94Å; F370-L385 HydrophobicContact CD1-CD2 4.44Å; F370-L385 HydrophobicContact CE1-CD1 3.75Å; F370-L385 HydrophobicContact CE1-CD2 3.99Å; F370-L385 HydrophobicContact CE1-CG 4.33Å; F370-L385 HydrophobicContact CE2-CD2 4.49Å; F370-L385 HydrophobicContact CZ-CD2 4.01Å; F370-C400 VanDerWaalsContact CZ-O 3.31Å; F370-C400 WeakPolarHBondContact CZ-O 3.44Å; F370-V404 HydrophobicContact CE1-CB 4.5Å; F370-V404 HydrophobicContact CE1-CG2 3.85Å; F370-V404 VanDerWaalsContact CE1-N 3.33Å; F370-V404 HydrophobicContact CZ-CG2 4.02Å; F370-A407 HydrophobicContact CD1-CB 4.3Å |
| 371 | A | 93.3 | Very high | 93.9 | Very high | 39 Ų | 39 | 34.4 Ų | 34.4 | 32% | 0.322 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.5 | -28.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | L333 V336 H340 E367 L368 | L333-A371 HydrophobicContact CD1-CB 4.03Å; V336-A371 HydrophobicContact CG1-CB 4.08Å; V336-A371 WeakPolarHBondContact CG1-O 3.33Å; H340-A371 PolarHBondContact CE1-O 3.02Å; E367-A371 WeakPolarHBondContact O-CB 3.46Å; E367-A371 PolarHBondContact O-N 2.91Å; L368-A371 PolarHBondContact O-N 2.92Å |
| 372 | L | 92.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -4.9 | 176.9 | -74.3 | 170.3 | 0 | 0 | 0 | 114.6 | V336 H340 V343 Q344 I350 L368 S369 F370 N374 N377 M381 | V336-L372 HydrophobicContact CG2-CD2 3.81Å; V336-L372 HydrophobicContact CG2-CG 4.2Å; H340-L372 WeakPolarHBondContact CE1-CA 3.36Å; H340-L372 PolarHBondContact CE1-O 2.63Å; V343-L372 HydrophobicContact CB-CD2 4.07Å; V343-L372 HydrophobicContact CG1-CD1 4.23Å; V343-L372 HydrophobicContact CG1-CD2 3.83Å; V343-L372 HydrophobicContact CG1-CG 4.5Å; Q344-L372 HydrophobicContact CG-CD2 4.26Å; Q344-L372 VanDerWaalsContact NE2-CD2 3.34Å; Q344-L372 PolarHBondContact NE2-O 3.37Å; I350-L372 HydrophobicContact CD1-CD1 3.66Å; I350-L372 HydrophobicContact CG2-CD1 4.39Å; L368-L372 HydrophobicContact CD1-CD1 4.18Å; L368-L372 HydrophobicContact CD1-CG 4.29Å; L368-L372 HydrophobicContact CG-CD1 4.11Å; L368-L372 WeakPolarHBondContact O-CB 3.36Å; L368-L372 VanDerWaalsContact O-CG 3.25Å; L368-L372 WeakPolarHBondContact O-CG 3.47Å; L368-L372 PolarHBondContact O-N 2.98Å; S369-L372 PolarHBondContact O-N 2.92Å; F370-L372 PolarHBondContact O-N 3.27Å; L372-N374 PolarHBondContact O-ND2 3.4Å; L372-N377 PolarHBondContact O-ND2 3.11Å; L372-M381 HydrophobicContact CB-CE 4.15Å; L372-M381 HydrophobicContact CB-SD 4.42Å |
| 373 | V | 94.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | trans | -67.9 | 136.2 | 177.1 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | S369 F370 N377 I378 M381 L385 A407 Y411 | S369-V373 WeakPolarHBondContact O-CG2 3.36Å; S369-V373 PolarHBondContact O-N 2.64Å; F370-V373 WeakPolarHBondContact O-CB 3.41Å; F370-V373 PolarHBondContact O-N 3.13Å; F370-V373 VanDerWaalsContact O-N 3.1Å; V373-N377 WeakPolarHBondContact CA-OD1 3.38Å; V373-I378 HydrophobicContact CG1-CB 4.24Å; V373-I378 HydrophobicContact CG1-CD1 3.47Å; V373-I378 VanDerWaalsContact CG1-CD1 3.47Å; V373-I378 HydrophobicContact CG1-CG1 4.44Å; V373-M381 HydrophobicContact CG2-CB 4.44Å; V373-M381 HydrophobicContact CG2-CE 4.29Å; V373-M381 HydrophobicContact CG2-SD 4.34Å; V373-L385 HydrophobicContact CG2-CD1 4.2Å; V373-A407 HydrophobicContact CB-CB 4.43Å; V373-A407 HydrophobicContact CG1-CB 4.25Å; V373-A407 HydrophobicContact CG2-CB 4.37Å; V373-Y411 HydrophobicContact CB-CD2 4.45Å; V373-Y411 HydrophobicContact CG1-CD2 3.85Å; V373-Y411 WeakPolarHBondContact O-CE2 3.34Å | ||
| 374 | N | 91.5 | Very high | 93.8 | Very high | 24 Ų | 24 | 42 Ų | 42 | 13% | 0.128 | 22% | 0.22 | C | C | . | . | trans | -150.1 | 167.7 | 172.7 | 62.1 | 68.4 | 0 | 0 | 0 | 110.7 | H340 Q344 L372 N376 N377 I378 | H340-N374 WeakPolarHBondContact NE2-CB 3.45Å; H340-N374 PolarHBondContact NE2-ND2 2.85Å; Q344-N374 PolarHBondContact NE2-ND2 2.92Å; L372-N374 PolarHBondContact O-ND2 3.4Å; N374-N376 PolarHBondContact O-N 2.69Å; N374-N376 WeakPolarHBondContact OD1-CB 3.43Å; N374-N376 PolarHBondContact OD1-N 2.77Å; N374-N377 PolarHBondContact N-OD1 3.07Å; N374-N377 PolarHBondContact ND2-ND2 3.43Å; N374-N377 PolarHBondContact O-N 2.99Å; N374-N377 PolarHBondContact O-OD1 3.05Å; N374-N377 VanDerWaalsContact O-OD1 3.07Å; N374-N377 PolarHBondContact OD1-N 2.77Å; N374-I378 WeakPolarHBondContact O-CB 3.2Å; N374-I378 PolarHBondContact O-N 3.24Å | ||
| 375 | G | 90.8 | Very high | 93.8 | Very high | 44 Ų | 44 | 38.7 Ų | 38.7 | 45% | 0.454 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | I378 | G375-I378 WeakPolarHBondContact O-CG2 3.42Š|
| 376 | N | 90.8 | Very high | 93.7 | Very high | 163 Ų | 163 | 40.1 Ų | 40.1 | 87% | 0.872 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -31.5 | 178.2 | -59.8 | -12 | 0 | 0 | 0 | 112.5 | N374 | N374-N376 PolarHBondContact O-N 2.69Å; N374-N376 WeakPolarHBondContact OD1-CB 3.43Å; N374-N376 PolarHBondContact OD1-N 2.77Å |
| 377 | N | 92.3 | Very high | 93.7 | Very high | 10 Ų | 10 | 47.3 Ų | 47.3 | 5% | 0.053 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -12.2 | -174.6 | 74.6 | 13.3 | 0 | 0 | 0 | 114.4 | Q344 L372 V373 N374 R379 G380 M381 | Q344-N377 PolarHBondContact OE1-ND2 2.69Å; Q344-N377 VanDerWaalsContact OE1-ND2 3.1Å; L372-N377 PolarHBondContact O-ND2 3.11Å; V373-N377 WeakPolarHBondContact CA-OD1 3.38Å; N374-N377 PolarHBondContact N-OD1 3.07Å; N374-N377 PolarHBondContact ND2-ND2 3.43Å; N374-N377 PolarHBondContact O-N 2.99Å; N374-N377 PolarHBondContact O-OD1 3.05Å; N374-N377 VanDerWaalsContact O-OD1 3.07Å; N374-N377 PolarHBondContact OD1-N 2.77Å; N377-R379 PolarHBondContact O-N 3.15Å; N377-G380 WeakPolarHBondContact O-CA 3.28Å; N377-G380 PolarHBondContact O-N 2.81Å; N377-M381 HydrophobicContact CB-CG 4.27Å; N377-M381 HydrophobicContact CB-SD 4.34Å; N377-M381 PolarHBondContact ND2-SD 3.15Å; N377-M381 PolarHBondContact O-N 3.04Å |
| 378 | I | 95.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -44.1 | -52.7 | -177.8 | -178.3 | 67 | 0 | 0 | 0 | 113.5 | V373 N374 G375 G380 M381 M382 W417 | V373-I378 HydrophobicContact CG1-CB 4.24Å; V373-I378 HydrophobicContact CG1-CD1 3.47Å; V373-I378 VanDerWaalsContact CG1-CD1 3.47Å; V373-I378 HydrophobicContact CG1-CG1 4.44Å; N374-I378 WeakPolarHBondContact O-CB 3.2Å; N374-I378 PolarHBondContact O-N 3.24Å; G375-I378 WeakPolarHBondContact O-CG2 3.42Å; I378-G380 PolarHBondContact O-N 3.41Å; I378-G380 VanDerWaalsContact O-N 3.17Å; I378-M381 PolarHBondContact O-N 3.28Å; I378-M382 HydrophobicContact CD1-CE 3.81Å; I378-M382 WeakPolarHBondContact O-CB 3.48Å; I378-M382 PolarHBondContact O-N 2.98Å; I378-W417 HydrophobicContact CD1-CH2 3.7Å; I378-W417 HydrophobicContact CD1-CZ3 4.3Å; I378-W417 HydrophobicContact CG1-CH2 3.46Å; I378-W417 VanDerWaalsContact CG1-CH2 3.46Å; I378-W417 HydrophobicContact CG1-CZ2 4.08Å; I378-W417 HydrophobicContact CG1-CZ3 3.96Å |
| 379 | R | 93.2 | Very high | 93.6 | Very high | 147 Ų | 147 | 45.2 Ų | 45.2 | 56% | 0.555 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -63.4 | -23.1 | -178.2 | -70.2 | -171.2 | 176 | -162.7 | -0.7 | 114.3 | N377 P413 | N377-R379 PolarHBondContact O-N 3.15Å; R379-P413 HydrophobicContact CG-CG 3.97Å |
| 380 | G | 92.6 | Very high | 93.5 | Very high | 42 Ų | 42 | 49 Ų | 49 | 43% | 0.433 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -90.5 | -55 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N377 I378 M382 K383 | N377-G380 WeakPolarHBondContact O-CA 3.28Å; N377-G380 PolarHBondContact O-N 2.81Å; I378-G380 PolarHBondContact O-N 3.41Å; I378-G380 VanDerWaalsContact O-N 3.17Å; G380-M382 VanDerWaalsContact C-N 3.27Å; G380-M382 PolarHBondContact O-N 2.79Å; G380-K383 WeakPolarHBondContact O-CB 3.42Å; G380-K383 PolarHBondContact O-N 2.67Å; G380-K383 VanDerWaalsContact O-N 3.1Å |
| 381 | M | 93.8 | Very high | 93.4 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -35.8 | -178.4 | -70.3 | -166.3 | 67.2 | 0 | 0 | 112.6 | R347 S369 L372 V373 N377 I378 K383 E384 L385 | R347-M381 HydrophobicContact CG-CE 4.43Å; R347-M381 HydrophobicContact CG-SD 4.27Å; S369-M381 WeakPolarHBondContact O-CE 3.39Å; L372-M381 HydrophobicContact CB-CE 4.15Å; L372-M381 HydrophobicContact CB-SD 4.42Å; V373-M381 HydrophobicContact CG2-CB 4.44Å; V373-M381 HydrophobicContact CG2-CE 4.29Å; V373-M381 HydrophobicContact CG2-SD 4.34Å; N377-M381 HydrophobicContact CB-CG 4.27Å; N377-M381 HydrophobicContact CB-SD 4.34Å; N377-M381 PolarHBondContact ND2-SD 3.15Å; N377-M381 PolarHBondContact O-N 3.04Å; I378-M381 PolarHBondContact O-N 3.28Å; M381-K383 PolarHBondContact O-N 3.27Å; M381-E384 PolarHBondContact O-N 2.84Å; M381-L385 HydrophobicContact CB-CD1 4.44Å; M381-L385 WeakPolarHBondContact O-CB 3.47Å; M381-L385 VanDerWaalsContact O-CG 3.31Å; M381-L385 WeakPolarHBondContact O-CG 3.31Å; M381-L385 PolarHBondContact O-N 3.14Å |
| 382 | M | 95.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.02 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.2 | -27.3 | 178.6 | -165.9 | 58.2 | 76.6 | 0 | 0 | 113 | I378 G380 L385 L386 V404 A407 A408 W417 T421 | I378-M382 HydrophobicContact CD1-CE 3.81Å; I378-M382 WeakPolarHBondContact O-CB 3.48Å; I378-M382 PolarHBondContact O-N 2.98Å; G380-M382 VanDerWaalsContact C-N 3.27Å; G380-M382 PolarHBondContact O-N 2.79Å; M382-L385 HydrophobicContact SD-CB 4.49Å; M382-L386 HydrophobicContact CG-CD1 4.06Å; M382-L386 HydrophobicContact CG-CG 4.24Å; M382-L386 VanDerWaalsContact O-CB 3.3Å; M382-L386 WeakPolarHBondContact O-CB 3.17Å; M382-L386 WeakPolarHBondContact O-CG 3.37Å; M382-L386 PolarHBondContact O-N 2.77Å; M382-L386 HydrophobicContact SD-CG 4.37Å; M382-V404 HydrophobicContact CE-CB 4.46Å; M382-V404 HydrophobicContact CE-CG1 3.88Å; M382-V404 HydrophobicContact SD-CB 4.1Å; M382-V404 HydrophobicContact SD-CG1 3.46Å; M382-V404 WeakPolarHBondContact SD-CG1 3.03Å; M382-V404 HydrophobicContact SD-CG2 3.74Å; M382-A407 HydrophobicContact CE-CB 4.13Å; M382-A408 HydrophobicContact CE-CB 4.37Å; M382-W417 HydrophobicContact CB-CH2 4.03Å; M382-W417 HydrophobicContact CB-CZ2 3.74Å; M382-W417 HydrophobicContact CE-CH2 4.11Å; M382-W417 HydrophobicContact CG-CH2 3.83Å; M382-W417 HydrophobicContact CG-CZ2 3.75Å; M382-T421 HydrophobicContact CE-CG2 4.22Å; M382-T421 HydrophobicContact CG-CG2 3.71Å; M382-T421 HydrophobicContact SD-CG2 3.91Å |
| 383 | K | 93.8 | Very high | 93.2 | Very high | 154 Ų | 154 | 52.8 Ų | 52.8 | 67% | 0.67 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -69.4 | -45.3 | 175.1 | -66.6 | -176.2 | 176.9 | -169.5 | 0 | 111.7 | G380 M381 L385 L386 Y387 | G380-K383 WeakPolarHBondContact O-CB 3.42Å; G380-K383 PolarHBondContact O-N 2.67Å; G380-K383 VanDerWaalsContact O-N 3.1Å; M381-K383 PolarHBondContact O-N 3.27Å; K383-L385 VanDerWaalsContact C-N 3.34Å; K383-L386 PolarHBondContact O-N 3.08Å; K383-Y387 WeakPolarHBondContact O-CB 3.44Å; K383-Y387 PolarHBondContact O-N 3.28Å |
| 384 | E | 93.9 | Very high | 93 | Very high | 82 Ų | 82 | 56.4 Ų | 56.4 | 38% | 0.383 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 175.2 | -57.6 | -65.5 | 142.2 | 0 | 0 | 111.2 | V351 M381 Y387 F388 | V351-E384 HydrophobicContact CG1-CB 4.08Å; V351-E384 HydrophobicContact CG1-CG 3.98Å; M381-E384 PolarHBondContact O-N 2.84Å; E384-Y387 PolarHBondContact O-N 2.97Å; E384-F388 WeakPolarHBondContact O-CB 3.14Å; E384-F388 PolarHBondContact O-N 3.47Å |
| 385 | L | 95.2 | Very high | 93 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.6 | -38.4 | 178.4 | -71 | 164.7 | 0 | 0 | 0 | 112.8 | F370 V373 M381 M382 K383 F388 L389 V404 | F370-L385 HydrophobicContact CD1-CD1 3.94Å; F370-L385 HydrophobicContact CD1-CD2 4.44Å; F370-L385 HydrophobicContact CE1-CD1 3.75Å; F370-L385 HydrophobicContact CE1-CD2 3.99Å; F370-L385 HydrophobicContact CE1-CG 4.33Å; F370-L385 HydrophobicContact CE2-CD2 4.49Å; F370-L385 HydrophobicContact CZ-CD2 4.01Å; V373-L385 HydrophobicContact CG2-CD1 4.2Å; M381-L385 HydrophobicContact CB-CD1 4.44Å; M381-L385 WeakPolarHBondContact O-CB 3.47Å; M381-L385 VanDerWaalsContact O-CG 3.31Å; M381-L385 WeakPolarHBondContact O-CG 3.31Å; M381-L385 PolarHBondContact O-N 3.14Å; M382-L385 HydrophobicContact SD-CB 4.49Å; K383-L385 VanDerWaalsContact C-N 3.34Å; L385-F388 PolarHBondContact O-N 3.12Å; L385-L389 WeakPolarHBondContact O-CB 3.39Å; L385-L389 PolarHBondContact O-N 3.43Å; L385-V404 HydrophobicContact CB-CG2 4.4Å |
| 386 | L | 94.6 | Very high | 93.1 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.7 | -35.9 | 173 | -73.3 | 171.8 | 0 | 0 | 0 | 112.1 | M382 K383 L389 D390 V404 T421 R424 V425 | M382-L386 HydrophobicContact CG-CD1 4.06Å; M382-L386 HydrophobicContact CG-CG 4.24Å; M382-L386 VanDerWaalsContact O-CB 3.3Å; M382-L386 WeakPolarHBondContact O-CB 3.17Å; M382-L386 WeakPolarHBondContact O-CG 3.37Å; M382-L386 PolarHBondContact O-N 2.77Å; M382-L386 HydrophobicContact SD-CG 4.37Å; K383-L386 PolarHBondContact O-N 3.08Å; L386-L389 HydrophobicContact CD2-CD2 4.22Å; L386-L389 PolarHBondContact O-N 3.5Å; L386-D390 PolarHBondContact O-N 2.82Å; L386-V404 HydrophobicContact CD2-CG1 4.43Å; L386-T421 HydrophobicContact CD1-CG2 4.45Å; L386-R424 HydrophobicContact CD1-CB 4.5Å; L386-R424 HydrophobicContact CD1-CG 4.23Å; L386-R424 HydrophobicContact CD2-CG 4.17Å; L386-V425 HydrophobicContact CD2-CG2 3.74Å |
| 387 | Y | 94.3 | Very high | 93.2 | Very high | 154 Ų | 154 | 51.1 Ų | 51.1 | 60% | 0.604 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -65.7 | -38.8 | 172.3 | 176.2 | -97.8 | 0 | 0 | 0 | 111.9 | K383 E384 D390 S391 | K383-Y387 WeakPolarHBondContact O-CB 3.44Å; K383-Y387 PolarHBondContact O-N 3.28Å; E384-Y387 PolarHBondContact O-N 2.97Å; Y387-D390 WeakPolarHBondContact O-CB 3.36Å; Y387-D390 PolarHBondContact O-N 3.36Å; Y387-S391 PolarHBondContact O-N 3.19Å; Y387-S391 PolarHBondContact O-OG 3.43Å |
| 388 | F | 94.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 52.2 Ų | 52.2 | 4% | 0.044 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64 | -44.3 | 170.6 | -179.7 | -102.3 | 0 | 0 | 0 | 111.4 | L354 K362 M366 E384 L385 D390 S391 C392 F396 | L354-F388 HydrophobicContact CB-CD2 3.89Å; L354-F388 HydrophobicContact CB-CE2 4.18Å; L354-F388 HydrophobicContact CD2-CD2 4.42Å; L354-F388 HydrophobicContact CD2-CE2 4.42Å; L354-F388 WeakPolarHBondContact O-CE2 3.47Å; K362-F388 HydrophobicContact CB-CZ 4.5Å; K362-F388 HydrophobicContact CD-CE2 4.27Å; K362-F388 HydrophobicContact CG-CE2 4.49Å; M366-F388 HydrophobicContact CB-CE1 4.31Å; M366-F388 HydrophobicContact CG-CE1 4.2Å; M366-F388 HydrophobicContact SD-CE1 3.88Å; E384-F388 WeakPolarHBondContact O-CB 3.14Å; E384-F388 PolarHBondContact O-N 3.47Å; L385-F388 PolarHBondContact O-N 3.12Å; F388-D390 VanDerWaalsContact C-N 3.26Å; F388-D390 PolarHBondContact O-N 2.84Å; F388-S391 CarbonylContact O-C 3.59Å; F388-S391 PolarHBondContact O-N 3.45Å; F388-S391 VanDerWaalsContact O-N 3.11Å; F388-S391 PolarHBondContact O-OG 2.66Å; F388-C392 HydrophobicContact CD1-CB 4.13Å; F388-C392 HydrophobicContact CD2-CB 4.26Å; F388-C392 HydrophobicContact CE1-CB 3.81Å; F388-C392 HydrophobicContact CE2-CB 3.96Å; F388-C392 HydrophobicContact CG-CB 4.35Å; F388-C392 HydrophobicContact CZ-CB 3.72Å; F388-C392 WeakPolarHBondContact O-CB 3.4Å; F388-C392 PolarHBondContact O-N 3.4Å; F388-C392 PolarHBondContact O-SG 3.45Å; F388-F396 HydrophobicContact CE1-CB 4.36Å; F388-F396 HydrophobicContact CZ-CB 4.48Å; F388-F396 HydrophobicContact CZ-CG 4.35Å |
| 389 | L | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.7 | -35.1 | 176.7 | -178.6 | 60.7 | 0 | 0 | 0 | 113.4 | L385 L386 K397 C400 A401 V425 A429 | L385-L389 WeakPolarHBondContact O-CB 3.39Å; L385-L389 PolarHBondContact O-N 3.43Å; L386-L389 HydrophobicContact CD2-CD2 4.22Å; L386-L389 PolarHBondContact O-N 3.5Å; L389-K397 HydrophobicContact CD1-CB 4.31Å; L389-K397 HydrophobicContact CD1-CG 4.34Å; L389-K397 WeakPolarHBondContact O-CE 3.42Å; L389-K397 PolarHBondContact O-NZ 3.4Å; L389-C400 HydrophobicContact CD1-CB 3.93Å; L389-A401 HydrophobicContact CD1-CB 4.38Å; L389-V425 HydrophobicContact CD2-CB 4.3Å; L389-V425 HydrophobicContact CD2-CG1 4.1Å; L389-V425 HydrophobicContact CD2-CG2 3.92Å; L389-A429 HydrophobicContact CD1-CB 4.11Å; L389-A429 HydrophobicContact CD2-CB 4.3Å; L389-A429 HydrophobicContact CG-CB 4.44Å |
| 390 | D | 93.6 | Very high | 93.1 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.1 | -50.4 | 173.7 | -136.7 | -34.6 | 0 | 0 | 0 | 110.7 | L386 Y387 F388 K397 R424 T428 | L386-D390 PolarHBondContact O-N 2.82Å; Y387-D390 WeakPolarHBondContact O-CB 3.36Å; Y387-D390 PolarHBondContact O-N 3.36Å; F388-D390 VanDerWaalsContact C-N 3.26Å; F388-D390 PolarHBondContact O-N 2.84Å; D390-K397 PolarHBondContact O-NZ 3.28Å; D390-R424 IonicContact OD2-CZ 3.29Å; D390-R424 IonicContact OD2-NH2 3.24Å; D390-R424 PolarHBondContact OD2-NH2 3.05Å; D390-T428 HydrophobicContact CB-CG2 4.1Å |
| 391 | S | 91.3 | Very high | 93.1 | Very high | 77 Ų | 77 | 46.1 Ų | 46.1 | 54% | 0.538 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -93.4 | -5.4 | -168.8 | 56.6 | 0 | 0 | 0 | 0 | 116.5 | Y387 F388 | Y387-S391 PolarHBondContact O-N 3.19Å; Y387-S391 PolarHBondContact O-OG 3.43Å; F388-S391 CarbonylContact O-C 3.59Å; F388-S391 PolarHBondContact O-N 3.45Å; F388-S391 VanDerWaalsContact O-N 3.11Å; F388-S391 PolarHBondContact O-OG 2.66Å |
| 392 | C | 90.5 | Very high | 93 | Very high | 10 Ų | 10 | 47.3 Ų | 47.3 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -85 | 158.3 | -175.1 | 69.3 | 0 | 0 | 0 | 0 | 114.4 | F388 F396 K397 | F388-C392 HydrophobicContact CD1-CB 4.13Å; F388-C392 HydrophobicContact CD2-CB 4.26Å; F388-C392 HydrophobicContact CE1-CB 3.81Å; F388-C392 HydrophobicContact CE2-CB 3.96Å; F388-C392 HydrophobicContact CG-CB 4.35Å; F388-C392 HydrophobicContact CZ-CB 3.72Å; F388-C392 WeakPolarHBondContact O-CB 3.4Å; F388-C392 PolarHBondContact O-N 3.4Å; F388-C392 PolarHBondContact O-SG 3.45Å; C392-F396 HydrophobicContact CB-CB 3.94Å; C392-F396 HydrophobicContact CB-CD2 4.45Å; C392-K397 WeakPolarHBondContact O-CE 3.45Å; C392-K397 VanDerWaalsContact SG-CG 3.55Å |
| 393 | D | 91 | Very high | 92.8 | Very high | 66 Ų | 66 | 47.8 Ų | 47.8 | 35% | 0.353 | 25% | 0.251 | S | S | . | . | trans | -66.2 | 154.4 | 179.2 | -40.3 | -92.5 | 0 | 0 | 0 | 111.5 | K362 E395 F396 K397 | K362-D393 IonicContact NZ-OD1 2.66Å; K362-D393 IonicContact NZ-OD2 2.69Å; K362-D393 PolarHBondContact NZ-OD2 3.06Å; D393-E395 HydrophobicContact CB-CG 4.26Å; D393-E395 PolarHBondContact O-N 3.09Å; D393-F396 HydrophobicContact CB-CD2 3.93Å; D393-F396 HydrophobicContact CB-CE2 4.33Å; D393-F396 WeakPolarHBondContact O-CB 3.42Å; D393-F396 PolarHBondContact O-N 3.45Å; D393-F396 WeakPolarHBondContact OD2-CD2 3.49Å; D393-F396 WeakPolarHBondContact OD2-CE2 3.45Å; D393-K397 PolarHBondContact O-N 3.01Å | ||
| 394 | P | 90.8 | Very high | 92.8 | Very high | 78 Ų | 78 | 40.4 Ų | 40.4 | 51% | 0.506 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -51.1 | -33.6 | -178.9 | -32.2 | 38.1 | 0 | 0 | 0 | 115.5 | F396 K397 Y432 | P394-F396 PolarHBondContact O-N 3.32Å; P394-K397 PolarHBondContact O-N 3.08Å; P394-Y432 HydrophobicContact CB-CE1 3.85Å |
| 395 | E | 90.6 | Very high | 92.6 | Very high | 91 Ų | 91 | 37.6 Ų | 37.6 | 43% | 0.425 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.6 | -12.9 | 177.3 | 65.8 | 160.4 | 121.6 | 0 | 0 | 114.5 | V359 R363 D393 | V359-E395 VanDerWaalsContact CG1-OE1 3.27Å; V359-E395 WeakPolarHBondContact CG1-OE1 3.49Å; V359-E395 WeakPolarHBondContact CG1-OE2 3.39Å; R363-E395 IonicContact CZ-OE2 3.5Å; R363-E395 IonicContact NE-OE2 3.49Å; R363-E395 PolarHBondContact NH2-O 3.3Å; R363-E395 IonicContact NH2-OE2 3.51Å; R363-E395 PolarHBondContact NH2-OE2 3.21Å; D393-E395 HydrophobicContact CB-CG 4.26Å; D393-E395 PolarHBondContact O-N 3.09Å |
| 396 | F | 92.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -105.1 | -24.8 | 177.8 | -64.7 | -66.9 | 0 | 0 | 0 | 112.9 | V359 K362 R363 M366 F388 C392 D393 P394 A398 D399 C400 | V359-F396 HydrophobicContact CB-CZ 4.41Å; V359-F396 HydrophobicContact CG1-CE2 4.48Å; V359-F396 HydrophobicContact CG1-CZ 3.88Å; V359-F396 WeakPolarHBondContact O-CZ 3.36Å; K362-F396 HydrophobicContact CB-CE1 4.26Å; K362-F396 HydrophobicContact CB-CE2 4.27Å; K362-F396 HydrophobicContact CB-CZ 3.82Å; K362-F396 HydrophobicContact CD-CE2 4.46Å; R363-F396 HydrophobicContact CB-CE1 3.79Å; R363-F396 HydrophobicContact CB-CZ 4.47Å; R363-F396 HydrophobicContact CG-CE1 4.23Å; M366-F396 HydrophobicContact CE-CD1 4.06Å; M366-F396 HydrophobicContact SD-CD1 4.22Å; F388-F396 HydrophobicContact CE1-CB 4.36Å; F388-F396 HydrophobicContact CZ-CB 4.48Å; F388-F396 HydrophobicContact CZ-CG 4.35Å; C392-F396 HydrophobicContact CB-CB 3.94Å; C392-F396 HydrophobicContact CB-CD2 4.45Å; D393-F396 HydrophobicContact CB-CD2 3.93Å; D393-F396 HydrophobicContact CB-CE2 4.33Å; D393-F396 WeakPolarHBondContact O-CB 3.42Å; D393-F396 PolarHBondContact O-N 3.45Å; D393-F396 WeakPolarHBondContact OD2-CD2 3.49Å; D393-F396 WeakPolarHBondContact OD2-CE2 3.45Å; P394-F396 PolarHBondContact O-N 3.32Å; F396-A398 VanDerWaalsContact C-N 3.3Å; F396-A398 PolarHBondContact O-N 3.42Å; F396-D399 PolarHBondContact O-N 3.14Å; F396-C400 WeakPolarHBondContact O-CB 3.32Å; F396-C400 PolarHBondContact O-N 2.94Å |
| 397 | K | 93.2 | Very high | 92.3 | Very high | 29 Ų | 29 | 41.6 Ų | 41.6 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -36.6 | -171.6 | -71.4 | -165 | 178.6 | -119 | 0 | 112.9 | L389 D390 C392 D393 P394 A401 Y432 | L389-K397 HydrophobicContact CD1-CB 4.31Å; L389-K397 HydrophobicContact CD1-CG 4.34Å; L389-K397 WeakPolarHBondContact O-CE 3.42Å; L389-K397 PolarHBondContact O-NZ 3.4Å; D390-K397 PolarHBondContact O-NZ 3.28Å; C392-K397 WeakPolarHBondContact O-CE 3.45Å; C392-K397 VanDerWaalsContact SG-CG 3.55Å; D393-K397 PolarHBondContact O-N 3.01Å; P394-K397 PolarHBondContact O-N 3.08Å; K397-A401 WeakPolarHBondContact O-CB 3.41Å; K397-A401 PolarHBondContact O-N 3.24Å; K397-Y432 HydrophobicContact CB-CD1 4.08Å; K397-Y432 HydrophobicContact CB-CD2 3.92Å; K397-Y432 HydrophobicContact CB-CG 3.63Å; K397-Y432 HydrophobicContact CD-CD2 3.95Å; K397-Y432 HydrophobicContact CD-CE2 4.1Å |
| 398 | A | 91.9 | Very high | 92.2 | Very high | 34 Ų | 34 | 34.2 Ų | 34.2 | 28% | 0.281 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69.5 | -51.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F396 C400 A401 S402 Y432 | F396-A398 VanDerWaalsContact C-N 3.3Å; F396-A398 PolarHBondContact O-N 3.42Å; A398-C400 VanDerWaalsContact C-N 3.33Å; A398-C400 PolarHBondContact O-N 2.96Å; A398-A401 PolarHBondContact O-N 3.08Å; A398-S402 WeakPolarHBondContact O-CB 3.38Å; A398-S402 PolarHBondContact O-N 3.44Å; A398-Y432 VanDerWaalsContact CA-O 3.27Å; A398-Y432 WeakPolarHBondContact CA-O 3.28Å; A398-Y432 WeakPolarHBondContact CB-O 3.18Å |
| 399 | D | 92.1 | Very high | 91.9 | Very high | 62 Ų | 62 | 38.5 Ų | 38.5 | 33% | 0.332 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 177.8 | -67.2 | -33.4 | 0 | 0 | 0 | 111.5 | R363 M366 F396 S402 G403 | R363-D399 IonicContact CZ-OD2 3.71Å; R363-D399 IonicContact NH1-OD2 3.43Å; R363-D399 PolarHBondContact NH1-OD2 3.33Å; R363-D399 IonicContact NH2-OD2 2.67Å; M366-D399 HydrophobicContact CE-CB 3.57Å; M366-D399 HydrophobicContact SD-CB 4.37Å; F396-D399 PolarHBondContact O-N 3.14Å; D399-S402 PolarHBondContact O-N 3.43Å; D399-G403 PolarHBondContact O-N 2.86Å |
| 400 | C | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.2 | -45.9 | 179.9 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | M366 F370 L389 F396 A398 S402 G403 V404 | M366-C400 HydrophobicContact SD-CB 3.69Å; F370-C400 VanDerWaalsContact CZ-O 3.31Å; F370-C400 WeakPolarHBondContact CZ-O 3.44Å; L389-C400 HydrophobicContact CD1-CB 3.93Å; F396-C400 WeakPolarHBondContact O-CB 3.32Å; F396-C400 PolarHBondContact O-N 2.94Å; A398-C400 VanDerWaalsContact C-N 3.33Å; A398-C400 PolarHBondContact O-N 2.96Å; C400-S402 PolarHBondContact O-N 3.24Å; C400-G403 PolarHBondContact O-N 3.05Å; C400-V404 WeakPolarHBondContact O-CG2 3.46Å; C400-V404 PolarHBondContact O-N 3.15Å |
| 401 | A | 92.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.4 | -51 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L389 K397 A398 G403 V404 F405 V425 A429 V433 | L389-A401 HydrophobicContact CD1-CB 4.38Å; K397-A401 WeakPolarHBondContact O-CB 3.41Å; K397-A401 PolarHBondContact O-N 3.24Å; A398-A401 PolarHBondContact O-N 3.08Å; A401-G403 VanDerWaalsContact C-N 3.31Å; A401-G403 PolarHBondContact O-N 3.39Å; A401-V404 WeakPolarHBondContact O-CB 3.33Å; A401-V404 PolarHBondContact O-N 3.3Å; A401-V404 VanDerWaalsContact O-N 3.1Å; A401-F405 VanDerWaalsContact O-CD2 3.26Å; A401-F405 WeakPolarHBondContact O-CD2 3.42Å; A401-F405 PolarHBondContact O-N 2.99Å; A401-V425 HydrophobicContact CB-CG1 3.66Å; A401-A429 HydrophobicContact CB-CB 4.17Å; A401-V433 HydrophobicContact CB-CG2 4.21Å |
| 402 | S | 91.6 | Very high | 91.7 | Very high | 31 Ų | 31 | 43 Ų | 43 | 22% | 0.217 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -35.8 | -179.1 | -159.7 | 0 | 0 | 0 | 0 | 112.7 | A398 D399 C400 L406 R434 | A398-S402 WeakPolarHBondContact O-CB 3.38Å; A398-S402 PolarHBondContact O-N 3.44Å; D399-S402 PolarHBondContact O-N 3.43Å; C400-S402 PolarHBondContact O-N 3.24Å; S402-L406 PolarHBondContact O-N 3.16Å; S402-L406 VanDerWaalsContact O-N 3.14Å; S402-R434 PolarHBondContact OG-NE 2.89Å; S402-R434 PolarHBondContact OG-NH2 2.7Å |
| 403 | G | 91.8 | Very high | 91.8 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.3 | -38.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D399 C400 A401 A407 | D399-G403 PolarHBondContact O-N 2.86Å; C400-G403 PolarHBondContact O-N 3.05Å; A401-G403 VanDerWaalsContact C-N 3.31Å; A401-G403 PolarHBondContact O-N 3.39Å; G403-A407 VanDerWaalsContact O-CB 3.24Å; G403-A407 WeakPolarHBondContact O-CB 3.48Å; G403-A407 PolarHBondContact O-N 3.16Å |
| 404 | V | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -46.4 | 173.6 | 167.3 | 0 | 0 | 0 | 0 | 111.1 | F370 M382 L385 L386 C400 A401 L406 A407 A408 T421 V425 | F370-V404 HydrophobicContact CE1-CB 4.5Å; F370-V404 HydrophobicContact CE1-CG2 3.85Å; F370-V404 VanDerWaalsContact CE1-N 3.33Å; F370-V404 HydrophobicContact CZ-CG2 4.02Å; M382-V404 HydrophobicContact CE-CB 4.46Å; M382-V404 HydrophobicContact CE-CG1 3.88Å; M382-V404 HydrophobicContact SD-CB 4.1Å; M382-V404 HydrophobicContact SD-CG1 3.46Å; M382-V404 WeakPolarHBondContact SD-CG1 3.03Å; M382-V404 HydrophobicContact SD-CG2 3.74Å; L385-V404 HydrophobicContact CB-CG2 4.4Å; L386-V404 HydrophobicContact CD2-CG1 4.43Å; C400-V404 WeakPolarHBondContact O-CG2 3.46Å; C400-V404 PolarHBondContact O-N 3.15Å; A401-V404 WeakPolarHBondContact O-CB 3.33Å; A401-V404 PolarHBondContact O-N 3.3Å; A401-V404 VanDerWaalsContact O-N 3.1Å; V404-L406 PolarHBondContact O-N 3.4Å; V404-A407 PolarHBondContact O-N 2.92Å; V404-A408 VanDerWaalsContact O-CB 3.22Å; V404-A408 WeakPolarHBondContact O-CB 3.33Å; V404-A408 PolarHBondContact O-N 3.32Å; V404-T421 HydrophobicContact CG1-CG2 3.76Å; V404-V425 HydrophobicContact CB-CG2 3.97Å; V404-V425 HydrophobicContact CG1-CG2 3.35Å |
| 405 | F | 90.3 | Very high | 91.8 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 10% | 0.101 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54.8 | -51.9 | 175.4 | -86.8 | -81.4 | 0 | 0 | 0 | 111.4 | A401 A407 A408 E409 I422 V425 V433 | A401-F405 VanDerWaalsContact O-CD2 3.26Å; A401-F405 WeakPolarHBondContact O-CD2 3.42Å; A401-F405 PolarHBondContact O-N 2.99Å; F405-A407 PolarHBondContact O-N 3.25Å; F405-A408 PolarHBondContact O-N 3.38Å; F405-E409 PolarHBondContact O-N 2.99Å; F405-I422 HydrophobicContact CD1-CD1 3.73Å; F405-I422 HydrophobicContact CD1-CG1 3.8Å; F405-I422 HydrophobicContact CD1-CG2 4.34Å; F405-I422 HydrophobicContact CE1-CB 4.14Å; F405-I422 HydrophobicContact CE1-CD1 3.79Å; F405-I422 HydrophobicContact CE1-CG1 3.72Å; F405-I422 HydrophobicContact CE1-CG2 3.38Å; F405-I422 HydrophobicContact CZ-CG1 4.5Å; F405-I422 HydrophobicContact CZ-CG2 3.71Å; F405-V425 HydrophobicContact CD2-CG1 4.14Å; F405-V425 HydrophobicContact CE2-CB 4.35Å; F405-V425 HydrophobicContact CE2-CG1 3.59Å; F405-V425 HydrophobicContact CZ-CG1 4.37Å; F405-V433 HydrophobicContact CE2-CG1 3.64Å; F405-V433 HydrophobicContact CE2-CG2 4.39Å; F405-V433 HydrophobicContact CZ-CG1 4.05Å |
| 406 | L | 90.3 | Very high | 91.7 | Very high | 107 Ų | 107 | 43.2 Ų | 43.2 | 56% | 0.56 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.8 | -41.8 | -179.2 | -175.4 | 66.7 | 0 | 0 | 0 | 112.7 | S402 V404 K410 | S402-L406 PolarHBondContact O-N 3.16Å; S402-L406 VanDerWaalsContact O-N 3.14Å; V404-L406 PolarHBondContact O-N 3.4Å; L406-K410 WeakPolarHBondContact O-CB 3.27Å; L406-K410 PolarHBondContact O-N 2.86Å |
| 407 | A | 92.3 | Very high | 91.7 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.5 | -35.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F370 V373 M382 G403 V404 F405 Y411 | F370-A407 HydrophobicContact CD1-CB 4.3Å; V373-A407 HydrophobicContact CB-CB 4.43Å; V373-A407 HydrophobicContact CG1-CB 4.25Å; V373-A407 HydrophobicContact CG2-CB 4.37Å; M382-A407 HydrophobicContact CE-CB 4.13Å; G403-A407 VanDerWaalsContact O-CB 3.24Å; G403-A407 WeakPolarHBondContact O-CB 3.48Å; G403-A407 PolarHBondContact O-N 3.16Å; V404-A407 PolarHBondContact O-N 2.92Å; F405-A407 PolarHBondContact O-N 3.25Å; A407-Y411 PolarHBondContact O-N 2.95Å |
| 408 | A | 92.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.9 | -46.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | M382 V404 F405 K410 Y411 A412 W417 T421 | M382-A408 HydrophobicContact CE-CB 4.37Å; V404-A408 VanDerWaalsContact O-CB 3.22Å; V404-A408 WeakPolarHBondContact O-CB 3.33Å; V404-A408 PolarHBondContact O-N 3.32Å; F405-A408 PolarHBondContact O-N 3.38Å; A408-K410 VanDerWaalsContact C-N 3.31Å; A408-K410 PolarHBondContact O-N 2.85Å; A408-Y411 PolarHBondContact O-N 2.51Å; A408-A412 WeakPolarHBondContact O-CA 3.48Å; A408-A412 WeakPolarHBondContact O-CB 3.21Å; A408-A412 PolarHBondContact O-N 2.87Å; A408-W417 HydrophobicContact CB-CZ3 4.26Å; A408-T421 HydrophobicContact CB-CG2 4.32Å |
| 409 | E | 88.2 | Confident | 91.5 | Very high | 99 Ų | 99 | 43 Ų | 43 | 46% | 0.463 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 179.3 | -171.8 | 177.9 | -170.4 | 0 | 0 | 112.5 | F405 H418 K588 | F405-E409 PolarHBondContact O-N 2.99Å; E409-H418 VanDerWaalsContact CA-CE1 3.45Å; E409-H418 WeakPolarHBondContact CA-CE1 3.27Å; E409-H418 PolarHBondContact N-NE2 2.93Å; E409-K588 IonicContact OE1-NZ 2.71Å; E409-K588 PolarHBondContact OE1-NZ 3.41Å |
| 410 | K | 90.2 | Very high | 91.4 | Very high | 143 Ų | 143 | 42 Ų | 42 | 62% | 0.622 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -77.2 | -27.4 | -175.7 | -164.7 | 176.5 | -178.9 | -162.8 | 0 | 114.2 | L406 A408 | L406-K410 WeakPolarHBondContact O-CB 3.27Å; L406-K410 PolarHBondContact O-N 2.86Å; A408-K410 VanDerWaalsContact C-N 3.31Å; A408-K410 PolarHBondContact O-N 2.85Å |
| 411 | Y | 94.3 | Very high | 91.3 | Very high | 73 Ų | 73 | 42.2 Ų | 42.2 | 29% | 0.286 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -134.1 | 12.6 | -169.2 | -58.7 | -63.2 | 0 | 0 | 0 | 115.5 | V373 A407 A408 P413 | V373-Y411 HydrophobicContact CB-CD2 4.45Å; V373-Y411 HydrophobicContact CG1-CD2 3.85Å; V373-Y411 WeakPolarHBondContact O-CE2 3.34Å; A407-Y411 PolarHBondContact O-N 2.95Å; A408-Y411 PolarHBondContact O-N 2.51Å; Y411-P413 WeakPolarHBondContact O-CD 3.16Å |
| 412 | A | 92 | Very high | 91.1 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 28% | 0.281 | 22% | 0.217 | S | C | . | . | trans | -57.2 | 124.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A408 W417 H418 | A408-A412 WeakPolarHBondContact O-CA 3.48Å; A408-A412 WeakPolarHBondContact O-CB 3.21Å; A408-A412 PolarHBondContact O-N 2.87Å; A412-W417 HydrophobicContact CB-CE3 4.09Å; A412-W417 HydrophobicContact CB-CZ3 4.22Å; A412-H418 HydrophobicContact CB-CB 3.72Å | ||
| 413 | P | 92.5 | Very high | 90.9 | Very high | 60 Ų | 60 | 41.5 Ų | 41.5 | 39% | 0.39 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -82.1 | -12 | 179.5 | 33.3 | -35.8 | 0 | 0 | 0 | 114 | R379 Y411 W417 | R379-P413 HydrophobicContact CG-CG 3.97Å; Y411-P413 WeakPolarHBondContact O-CD 3.16Å; P413-W417 VanDerWaalsContact CD-CE3 3.47Å; P413-W417 HydrophobicContact CG-CD2 4.17Å; P413-W417 HydrophobicContact CG-CE3 4.33Å; P413-W417 HydrophobicContact CG-CG 4.27Å |
| 414 | S | 91.4 | Very high | 90.9 | Very high | 52 Ų | 52 | 46.2 Ų | 46.2 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -159.3 | 159.3 | 170.2 | 67.8 | 0 | 0 | 0 | 0 | 111 | W417 H418 | S414-W417 PolarHBondContact O-N 3.2Å; S414-W417 WeakPolarHBondContact OG-CB 3.39Å; S414-W417 PolarHBondContact OG-N 3.3Å; S414-H418 PolarHBondContact O-N 3.48Å; S414-H418 VanDerWaalsContact O-N 3.15Å |
| 415 | K | 88.8 | Confident | 90.8 | Very high | 76 Ų | 76 | 46.2 Ų | 46.2 | 33% | 0.33 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62 | -48.5 | 178.3 | -64.9 | -63.1 | -161.3 | 133.3 | 0 | 112.1 | W417 H418 I419 N447 S448 M451 | K415-W417 PolarHBondContact O-N 2.85Å; K415-H418 WeakPolarHBondContact O-CB 3.34Å; K415-H418 PolarHBondContact O-N 2.87Å; K415-H418 VanDerWaalsContact O-N 3.17Å; K415-I419 WeakPolarHBondContact O-CG1 3.44Å; K415-I419 PolarHBondContact O-N 3.35Å; K415-N447 PolarHBondContact NZ-O 3.02Å; K415-S448 PolarHBondContact NZ-OG 2.85Å; K415-M451 HydrophobicContact CB-CG 4.02Å |
| 416 | R | 90.2 | Very high | 90.8 | Very high | 63 Ų | 63 | 45.3 Ų | 45.3 | 24% | 0.238 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -51.6 | -53.5 | 174.1 | -167.1 | -167 | -174.1 | 134.4 | -5.1 | 111.8 | H418 I419 D420 M451 Y454 E494 E495 | R416-H418 VanDerWaalsContact C-N 3.26Å; R416-H418 PolarHBondContact O-N 2.93Å; R416-I419 PolarHBondContact O-N 3.2Å; R416-I419 VanDerWaalsContact O-N 3.1Å; R416-D420 PolarHBondContact O-N 3.33Å; R416-M451 HydrophobicContact CB-CE 3.69Å; R416-M451 HydrophobicContact CB-SD 4.32Å; R416-M451 HydrophobicContact CG-CE 3.81Å; R416-Y454 HydrophobicContact CG-CD1 4.41Å; R416-Y454 HydrophobicContact CG-CE1 3.74Å; R416-Y454 PolarHBondContact NE-OH 2.87Å; R416-Y454 VanDerWaalsContact NH2-CE2 3.26Å; R416-Y454 PolarHBondContact NH2-OH 3.12Å; R416-E494 WeakPolarHBondContact CD-OE2 3.49Å; R416-E494 WeakPolarHBondContact CG-OE2 3.35Å; R416-E494 IonicContact CZ-OE2 3.68Å; R416-E494 VanDerWaalsContact CZ-OE2 3.32Å; R416-E494 IonicContact NE-OE2 2.89Å; R416-E494 PolarHBondContact NE-OE2 2.93Å; R416-E494 PolarHBondContact NH1-O 3.28Å; R416-E494 IonicContact NH1-OE1 3.67Å; R416-E494 PolarHBondContact NH1-OE1 3.07Å; R416-E494 IonicContact NH1-OE2 2.71Å; R416-E494 PolarHBondContact NH1-OE2 3.28Å; R416-E494 PolarHBondContact NH2-O 3.33Å; R416-E495 IonicContact NH2-OE2 2.73Å |
| 417 | W | 92.7 | Very high | 90.8 | Very high | 42 Ų | 42 | 42.4 Ų | 42.4 | 16% | 0.159 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -34.9 | -178.4 | -179.1 | 88.6 | 0 | 0 | 0 | 113.1 | I378 M382 A408 A412 P413 S414 K415 T421 | I378-W417 HydrophobicContact CD1-CH2 3.7Å; I378-W417 HydrophobicContact CD1-CZ3 4.3Å; I378-W417 HydrophobicContact CG1-CH2 3.46Å; I378-W417 VanDerWaalsContact CG1-CH2 3.46Å; I378-W417 HydrophobicContact CG1-CZ2 4.08Å; I378-W417 HydrophobicContact CG1-CZ3 3.96Å; M382-W417 HydrophobicContact CB-CH2 4.03Å; M382-W417 HydrophobicContact CB-CZ2 3.74Å; M382-W417 HydrophobicContact CE-CH2 4.11Å; M382-W417 HydrophobicContact CG-CH2 3.83Å; M382-W417 HydrophobicContact CG-CZ2 3.75Å; A408-W417 HydrophobicContact CB-CZ3 4.26Å; A412-W417 HydrophobicContact CB-CE3 4.09Å; A412-W417 HydrophobicContact CB-CZ3 4.22Å; P413-W417 VanDerWaalsContact CD-CE3 3.47Å; P413-W417 HydrophobicContact CG-CD2 4.17Å; P413-W417 HydrophobicContact CG-CE3 4.33Å; P413-W417 HydrophobicContact CG-CG 4.27Å; S414-W417 PolarHBondContact O-N 3.2Å; S414-W417 WeakPolarHBondContact OG-CB 3.39Å; S414-W417 PolarHBondContact OG-N 3.3Å; K415-W417 PolarHBondContact O-N 2.85Å; W417-T421 HydrophobicContact CH2-CG2 4.27Å; W417-T421 WeakPolarHBondContact CZ2-OG1 3.3Å; W417-T421 WeakPolarHBondContact O-CB 3.23Å; W417-T421 PolarHBondContact O-N 2.67Å; W417-T421 PolarHBondContact O-OG1 2.72Å |
| 418 | H | 91.1 | Very high | 90.6 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 6% | 0.06 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -48.3 | 176.2 | -164 | 174.5 | 0 | 0 | 0 | 110.8 | E409 A412 S414 K415 R416 T421 I422 L444 | E409-H418 VanDerWaalsContact CA-CE1 3.45Å; E409-H418 WeakPolarHBondContact CA-CE1 3.27Å; E409-H418 PolarHBondContact N-NE2 2.93Å; A412-H418 HydrophobicContact CB-CB 3.72Å; S414-H418 PolarHBondContact O-N 3.48Å; S414-H418 VanDerWaalsContact O-N 3.15Å; K415-H418 WeakPolarHBondContact O-CB 3.34Å; K415-H418 PolarHBondContact O-N 2.87Å; K415-H418 VanDerWaalsContact O-N 3.17Å; R416-H418 VanDerWaalsContact C-N 3.26Å; R416-H418 PolarHBondContact O-N 2.93Å; H418-T421 PolarHBondContact O-N 2.74Å; H418-I422 VanDerWaalsContact CD2-CD1 3.47Å; H418-I422 WeakPolarHBondContact CD2-CD1 3.29Å; H418-I422 WeakPolarHBondContact NE2-CD1 3.42Å; H418-I422 PolarHBondContact O-N 3.15Å; H418-L444 WeakPolarHBondContact CE1-CD2 3.37Å |
| 419 | I | 89.1 | Confident | 90.4 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 176.5 | -64.7 | 161.6 | 0 | 0 | 0 | 110.3 | K415 R416 T421 I422 M423 M451 T455 | K415-I419 WeakPolarHBondContact O-CG1 3.44Å; K415-I419 PolarHBondContact O-N 3.35Å; R416-I419 PolarHBondContact O-N 3.2Å; R416-I419 VanDerWaalsContact O-N 3.1Å; I419-T421 PolarHBondContact O-N 3.24Å; I419-I422 PolarHBondContact O-N 2.91Å; I419-M423 HydrophobicContact CG2-CG 4.28Å; I419-M423 WeakPolarHBondContact O-CB 3.3Å; I419-M423 VanDerWaalsContact O-CG 3.28Å; I419-M423 WeakPolarHBondContact O-CG 3.44Å; I419-M423 PolarHBondContact O-N 3.39Å; I419-M451 HydrophobicContact CD1-CB 3.71Å; I419-M451 HydrophobicContact CD1-CG 3.91Å; I419-T455 HydrophobicContact CG2-CG2 3.86Å |
| 420 | D | 90.6 | Very high | 90.3 | Very high | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.219 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.1 | -46.5 | 176 | -64 | -25 | 0 | 0 | 0 | 112.5 | R416 M423 R424 Y454 R458 | R416-D420 PolarHBondContact O-N 3.33Å; D420-M423 PolarHBondContact O-N 2.8Å; D420-R424 PolarHBondContact O-N 2.86Å; D420-Y454 PolarHBondContact OD1-OH 2.8Å; D420-R458 IonicContact OD1-CZ 2.77Å; D420-R458 IonicContact OD1-NH1 2.73Å; D420-R458 PolarHBondContact OD1-NH1 3.06Å; D420-R458 IonicContact OD1-NH2 3.9Å |
| 421 | T | 91.8 | Very high | 90.1 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.4 | -46.9 | -179.8 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | M382 L386 V404 A408 W417 H418 I419 R424 V425 | M382-T421 HydrophobicContact CE-CG2 4.22Å; M382-T421 HydrophobicContact CG-CG2 3.71Å; M382-T421 HydrophobicContact SD-CG2 3.91Å; L386-T421 HydrophobicContact CD1-CG2 4.45Å; V404-T421 HydrophobicContact CG1-CG2 3.76Å; A408-T421 HydrophobicContact CB-CG2 4.32Å; W417-T421 HydrophobicContact CH2-CG2 4.27Å; W417-T421 WeakPolarHBondContact CZ2-OG1 3.3Å; W417-T421 WeakPolarHBondContact O-CB 3.23Å; W417-T421 PolarHBondContact O-N 2.67Å; W417-T421 PolarHBondContact O-OG1 2.72Å; H418-T421 PolarHBondContact O-N 2.74Å; I419-T421 PolarHBondContact O-N 3.24Å; T421-R424 PolarHBondContact O-N 3.29Å; T421-V425 WeakPolarHBondContact O-CG2 3.11Å; T421-V425 PolarHBondContact O-N 3.22Å |
| 422 | I | 89.3 | Confident | 89.8 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.1 | -40.8 | 179.2 | -71.4 | 174.5 | 0 | 0 | 0 | 111.7 | F405 H418 I419 R424 V425 L426 L441 L444 | F405-I422 HydrophobicContact CD1-CD1 3.73Å; F405-I422 HydrophobicContact CD1-CG1 3.8Å; F405-I422 HydrophobicContact CD1-CG2 4.34Å; F405-I422 HydrophobicContact CE1-CB 4.14Å; F405-I422 HydrophobicContact CE1-CD1 3.79Å; F405-I422 HydrophobicContact CE1-CG1 3.72Å; F405-I422 HydrophobicContact CE1-CG2 3.38Å; F405-I422 HydrophobicContact CZ-CG1 4.5Å; F405-I422 HydrophobicContact CZ-CG2 3.71Å; H418-I422 VanDerWaalsContact CD2-CD1 3.47Å; H418-I422 WeakPolarHBondContact CD2-CD1 3.29Å; H418-I422 WeakPolarHBondContact NE2-CD1 3.42Å; H418-I422 PolarHBondContact O-N 3.15Å; I419-I422 PolarHBondContact O-N 2.91Å; I422-R424 VanDerWaalsContact C-N 3.26Å; I422-R424 PolarHBondContact O-N 2.98Å; I422-V425 PolarHBondContact O-N 3.49Å; I422-V425 VanDerWaalsContact O-N 3.1Å; I422-L426 HydrophobicContact CG2-CD1 4.26Å; I422-L426 HydrophobicContact CG2-CG 4.37Å; I422-L426 PolarHBondContact O-N 2.94Å; I422-L441 HydrophobicContact CB-CD1 4.33Å; I422-L441 HydrophobicContact CD1-CD1 4.05Å; I422-L441 HydrophobicContact CG2-CD1 3.68Å; I422-L441 HydrophobicContact CG2-CD2 3.42Å; I422-L441 VanDerWaalsContact CG2-CD2 3.42Å; I422-L441 HydrophobicContact CG2-CG 4.08Å; I422-L444 HydrophobicContact CD1-CD2 3.79Å |
| 423 | M | 87.3 | Confident | 89.7 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 6% | 0.059 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.8 | -36.7 | 173.7 | -77 | -60.1 | -62.3 | 0 | 0 | 111.9 | I419 D420 L426 T427 L459 A462 L472 | I419-M423 HydrophobicContact CG2-CG 4.28Å; I419-M423 WeakPolarHBondContact O-CB 3.3Å; I419-M423 VanDerWaalsContact O-CG 3.28Å; I419-M423 WeakPolarHBondContact O-CG 3.44Å; I419-M423 PolarHBondContact O-N 3.39Å; D420-M423 PolarHBondContact O-N 2.8Å; M423-L426 HydrophobicContact SD-CD1 4.4Å; M423-T427 WeakPolarHBondContact O-CB 3.49Å; M423-T427 WeakPolarHBondContact O-CG2 3.25Å; M423-T427 PolarHBondContact O-N 3.11Å; M423-T427 PolarHBondContact O-OG1 3.47Å; M423-L459 HydrophobicContact CE-CD2 3.84Å; M423-L459 HydrophobicContact CE-CG 4.15Å; M423-L459 HydrophobicContact SD-CD2 3.47Å; M423-L459 WeakPolarHBondContact SD-CD2 3.2Å; M423-L459 HydrophobicContact SD-CG 3.88Å; M423-A462 HydrophobicContact CE-CB 3.86Å; M423-L472 HydrophobicContact CE-CD1 4.04Å; M423-L472 HydrophobicContact SD-CD1 4.45Å |
| 424 | R | 91.3 | Very high | 89.2 | Confident | 113 Ų | 113 | 39.1 Ų | 39.1 | 43% | 0.426 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.8 | -39.4 | 172.4 | -176.2 | 58.5 | -175.9 | 170.9 | 4.6 | 112.3 | L386 D390 D420 T421 I422 T427 T428 | L386-R424 HydrophobicContact CD1-CB 4.5Å; L386-R424 HydrophobicContact CD1-CG 4.23Å; L386-R424 HydrophobicContact CD2-CG 4.17Å; D390-R424 IonicContact OD2-CZ 3.29Å; D390-R424 IonicContact OD2-NH2 3.24Å; D390-R424 PolarHBondContact OD2-NH2 3.05Å; D420-R424 PolarHBondContact O-N 2.86Å; T421-R424 PolarHBondContact O-N 3.29Å; I422-R424 VanDerWaalsContact C-N 3.26Å; I422-R424 PolarHBondContact O-N 2.98Å; R424-T427 WeakPolarHBondContact CA-OG1 3.49Å; R424-T427 PolarHBondContact O-OG1 3Å; R424-T428 WeakPolarHBondContact CD-OG1 3.36Å; R424-T428 PolarHBondContact NE-OG1 3.28Å; R424-T428 VanDerWaalsContact NE-OG1 3.07Å; R424-T428 VanDerWaalsContact O-CB 3.22Å; R424-T428 WeakPolarHBondContact O-CB 3.35Å; R424-T428 PolarHBondContact O-N 3.25Å; R424-T428 VanDerWaalsContact O-N 3.1Å; R424-T428 PolarHBondContact O-OG1 2.9Å |
| 425 | V | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -50.3 | 173.7 | 173.5 | 0 | 0 | 0 | 0 | 111 | L386 L389 A401 V404 F405 T421 I422 T427 T428 A429 V433 | L386-V425 HydrophobicContact CD2-CG2 3.74Å; L389-V425 HydrophobicContact CD2-CB 4.3Å; L389-V425 HydrophobicContact CD2-CG1 4.1Å; L389-V425 HydrophobicContact CD2-CG2 3.92Å; A401-V425 HydrophobicContact CB-CG1 3.66Å; V404-V425 HydrophobicContact CB-CG2 3.97Å; V404-V425 HydrophobicContact CG1-CG2 3.35Å; F405-V425 HydrophobicContact CD2-CG1 4.14Å; F405-V425 HydrophobicContact CE2-CB 4.35Å; F405-V425 HydrophobicContact CE2-CG1 3.59Å; F405-V425 HydrophobicContact CZ-CG1 4.37Å; T421-V425 WeakPolarHBondContact O-CG2 3.11Å; T421-V425 PolarHBondContact O-N 3.22Å; I422-V425 PolarHBondContact O-N 3.49Å; I422-V425 VanDerWaalsContact O-N 3.1Å; V425-T427 PolarHBondContact O-N 2.86Å; V425-T428 PolarHBondContact O-N 2.97Å; V425-A429 HydrophobicContact CG1-CB 4.39Å; V425-A429 VanDerWaalsContact O-CB 3.29Å; V425-A429 WeakPolarHBondContact O-CB 3.4Å; V425-A429 PolarHBondContact O-N 3.08Å; V425-V433 HydrophobicContact CG1-CG2 4.04Å |
| 426 | L | 89.1 | Confident | 88 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.4 | -55.5 | 178.5 | -76 | 175.2 | 0 | 0 | 0 | 110.7 | I422 M423 T428 G430 V433 L441 Q469 P471 L472 | I422-L426 HydrophobicContact CG2-CD1 4.26Å; I422-L426 HydrophobicContact CG2-CG 4.37Å; I422-L426 PolarHBondContact O-N 2.94Å; M423-L426 HydrophobicContact SD-CD1 4.4Å; L426-T428 VanDerWaalsContact C-N 3.26Å; L426-T428 PolarHBondContact O-N 3.37Å; L426-G430 VanDerWaalsContact O-CA 3.24Å; L426-G430 WeakPolarHBondContact O-CA 3.24Å; L426-G430 PolarHBondContact O-N 3.15Å; L426-V433 HydrophobicContact CD2-CG1 4.33Å; L426-V433 HydrophobicContact CD2-CG2 4.4Å; L426-L441 HydrophobicContact CD1-CD2 3.55Å; L426-Q469 PolarHBondContact O-OE1 3.21Å; L426-P471 HydrophobicContact CD2-CB 4.04Å; L426-L472 HydrophobicContact CB-CB 4.29Å; L426-L472 HydrophobicContact CB-CD1 4.08Å; L426-L472 HydrophobicContact CD1-CD1 4.07Å |
| 427 | T | 89.8 | Confident | 87.5 | Confident | 47 Ų | 47 | 38.6 Ų | 38.6 | 29% | 0.288 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.9 | -20.9 | -178.3 | 49.5 | 0 | 0 | 0 | 0 | 115.4 | M423 R424 V425 A462 Q469 L472 | M423-T427 WeakPolarHBondContact O-CB 3.49Å; M423-T427 WeakPolarHBondContact O-CG2 3.25Å; M423-T427 PolarHBondContact O-N 3.11Å; M423-T427 PolarHBondContact O-OG1 3.47Å; R424-T427 WeakPolarHBondContact CA-OG1 3.49Å; R424-T427 PolarHBondContact O-OG1 3Å; V425-T427 PolarHBondContact O-N 2.86Å; T427-A462 HydrophobicContact CG2-CB 3.91Å; T427-Q469 VanDerWaalsContact CA-OE1 3.29Å; T427-Q469 PolarHBondContact O-NE2 3.32Å; T427-L472 HydrophobicContact CG2-CD2 4.1Å |
| 428 | T | 89.9 | Confident | 87.1 | Confident | 26 Ų | 26 | 36.8 Ų | 36.8 | 16% | 0.16 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -103.1 | -30 | -176.3 | -48.1 | 0 | 0 | 0 | 0 | 113.2 | D390 R424 V425 L426 | D390-T428 HydrophobicContact CB-CG2 4.1Å; R424-T428 WeakPolarHBondContact CD-OG1 3.36Å; R424-T428 PolarHBondContact NE-OG1 3.28Å; R424-T428 VanDerWaalsContact NE-OG1 3.07Å; R424-T428 VanDerWaalsContact O-CB 3.22Å; R424-T428 WeakPolarHBondContact O-CB 3.35Å; R424-T428 PolarHBondContact O-N 3.25Å; R424-T428 VanDerWaalsContact O-N 3.1Å; R424-T428 PolarHBondContact O-OG1 2.9Å; V425-T428 PolarHBondContact O-N 2.97Å; L426-T428 VanDerWaalsContact C-N 3.26Å; L426-T428 PolarHBondContact O-N 3.37Å |
| 429 | A | 86.8 | Confident | 86.9 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -108.7 | -25.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L389 A401 V425 S431 Y432 V433 | L389-A429 HydrophobicContact CD1-CB 4.11Å; L389-A429 HydrophobicContact CD2-CB 4.3Å; L389-A429 HydrophobicContact CG-CB 4.44Å; A401-A429 HydrophobicContact CB-CB 4.17Å; V425-A429 HydrophobicContact CG1-CB 4.39Å; V425-A429 VanDerWaalsContact O-CB 3.29Å; V425-A429 WeakPolarHBondContact O-CB 3.4Å; V425-A429 PolarHBondContact O-N 3.08Å; A429-S431 PolarHBondContact O-N 2.76Å; A429-Y432 WeakPolarHBondContact O-CB 3.26Å; A429-Y432 VanDerWaalsContact O-CD2 3.3Å; A429-Y432 WeakPolarHBondContact O-CD2 3.5Å; A429-Y432 PolarHBondContact O-N 3.27Å; A429-V433 HydrophobicContact CB-CG2 3.89Å |
| 430 | G | 85.3 | Confident | 86.6 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | 45.3 | -107.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L426 Y432 V433 | L426-G430 VanDerWaalsContact O-CA 3.24Å; L426-G430 WeakPolarHBondContact O-CA 3.24Å; L426-G430 PolarHBondContact O-N 3.15Å; G430-Y432 PolarHBondContact O-N 2.73Å; G430-V433 WeakPolarHBondContact O-CB 3.42Å; G430-V433 PolarHBondContact O-N 3.49Å; G430-V433 VanDerWaalsContact O-N 3.16Å |
| 431 | S | 86 | Confident | 86.2 | Confident | 96 Ų | 96 | 41.5 Ų | 41.5 | 67% | 0.671 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -65.7 | -12.7 | 179.5 | 52.5 | 0 | 0 | 0 | 0 | 115.9 | A429 | A429-S431 PolarHBondContact O-N 2.76Š|
| 432 | Y | 89.3 | Confident | 86.1 | Confident | 94 Ų | 94 | 41.8 Ų | 41.8 | 37% | 0.369 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -86.3 | -9.4 | 173.5 | -62 | -79.3 | 0 | 0 | 0 | 112.9 | P394 K397 A398 A429 G430 | P394-Y432 HydrophobicContact CB-CE1 3.85Å; K397-Y432 HydrophobicContact CB-CD1 4.08Å; K397-Y432 HydrophobicContact CB-CD2 3.92Å; K397-Y432 HydrophobicContact CB-CG 3.63Å; K397-Y432 HydrophobicContact CD-CD2 3.95Å; K397-Y432 HydrophobicContact CD-CE2 4.1Å; A398-Y432 VanDerWaalsContact CA-O 3.27Å; A398-Y432 WeakPolarHBondContact CA-O 3.28Å; A398-Y432 WeakPolarHBondContact CB-O 3.18Å; A429-Y432 WeakPolarHBondContact O-CB 3.26Å; A429-Y432 VanDerWaalsContact O-CD2 3.3Å; A429-Y432 WeakPolarHBondContact O-CD2 3.5Å; A429-Y432 PolarHBondContact O-N 3.27Å; G430-Y432 PolarHBondContact O-N 2.73Å |
| 433 | V | 89.2 | Confident | 86 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -75.5 | 130.9 | 174.7 | 180 | 0 | 0 | 0 | 0 | 109.4 | A401 F405 V425 L426 A429 G430 P471 | A401-V433 HydrophobicContact CB-CG2 4.21Å; F405-V433 HydrophobicContact CE2-CG1 3.64Å; F405-V433 HydrophobicContact CE2-CG2 4.39Å; F405-V433 HydrophobicContact CZ-CG1 4.05Å; V425-V433 HydrophobicContact CG1-CG2 4.04Å; L426-V433 HydrophobicContact CD2-CG1 4.33Å; L426-V433 HydrophobicContact CD2-CG2 4.4Å; A429-V433 HydrophobicContact CB-CG2 3.89Å; G430-V433 WeakPolarHBondContact O-CB 3.42Å; G430-V433 PolarHBondContact O-N 3.49Å; G430-V433 VanDerWaalsContact O-N 3.16Å; V433-P471 HydrophobicContact CB-CB 4.43Å; V433-P471 HydrophobicContact CB-CG 4.34Å |
| 434 | R | 82.8 | Confident | 86 | Confident | 116 Ų | 116 | 43.8 Ų | 43.8 | 44% | 0.438 | 23% | 0.225 | S | C | . | . | trans | -69.3 | 137.1 | 178.8 | -54 | -173.2 | -57.4 | 103 | 16 | 110.5 | S402 D436 S437 | S402-R434 PolarHBondContact OG-NE 2.89Å; S402-R434 PolarHBondContact OG-NH2 2.7Å; R434-D436 WeakPolarHBondContact CB-OD1 3.35Å; R434-D436 IonicContact CZ-OD1 3.77Å; R434-D436 IonicContact CZ-OD2 3.98Å; R434-D436 IonicContact NE-OD1 3.58Å; R434-D436 IonicContact NH1-OD1 2.73Å; R434-D436 PolarHBondContact NH1-OD1 3.37Å; R434-D436 IonicContact NH1-OD2 3.95Å; R434-D436 PolarHBondContact NH1-OD2 3.4Å; R434-D436 IonicContact NH2-OD1 2.67Å; R434-D436 PolarHBondContact NH2-OD1 3.06Å; R434-D436 IonicContact NH2-OD2 2.76Å; R434-D436 PolarHBondContact NH2-OD2 2.74Å; R434-D436 PolarHBondContact O-N 3.08Å; R434-D436 VanDerWaalsContact O-N 3.15Å; R434-S437 WeakPolarHBondContact O-CB 3.47Å; R434-S437 PolarHBondContact O-N 2.87Å; R434-S437 PolarHBondContact O-OG 3.32Å | ||
| 435 | D | 77.4 | Confident | 85.8 | Confident | 109 Ų | 109 | 38.5 Ų | 38.5 | 58% | 0.583 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -27.7 | -173.4 | -65.7 | -44.3 | 0 | 0 | 0 | 114.1 | S437 V438 P439 | D435-S437 PolarHBondContact O-N 3.43Å; D435-V438 VanDerWaalsContact O-CB 3.31Å; D435-V438 WeakPolarHBondContact O-CB 3.24Å; D435-V438 PolarHBondContact O-N 2.67Å; D435-V438 VanDerWaalsContact O-N 3.07Å; D435-P439 VanDerWaalsContact O-CD 3.28Å; D435-P439 WeakPolarHBondContact O-CD 3.24Å |
| 436 | D | 76.6 | Confident | 85.7 | Confident | 66 Ų | 66 | 39 Ų | 39 | 35% | 0.353 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13.7 | 173.7 | 67.8 | -42.9 | 0 | 0 | 0 | 113.6 | R434 V438 P439 N440 | R434-D436 WeakPolarHBondContact CB-OD1 3.35Å; R434-D436 IonicContact CZ-OD1 3.77Å; R434-D436 IonicContact CZ-OD2 3.98Å; R434-D436 IonicContact NE-OD1 3.58Å; R434-D436 IonicContact NH1-OD1 2.73Å; R434-D436 PolarHBondContact NH1-OD1 3.37Å; R434-D436 IonicContact NH1-OD2 3.95Å; R434-D436 PolarHBondContact NH1-OD2 3.4Å; R434-D436 IonicContact NH2-OD1 2.67Å; R434-D436 PolarHBondContact NH2-OD1 3.06Å; R434-D436 IonicContact NH2-OD2 2.76Å; R434-D436 PolarHBondContact NH2-OD2 2.74Å; R434-D436 PolarHBondContact O-N 3.08Å; R434-D436 VanDerWaalsContact O-N 3.15Å; D436-V438 VanDerWaalsContact C-N 3.29Å; D436-P439 WeakPolarHBondContact O-CD 3.47Å; D436-P439 WeakPolarHBondContact O-CG 3.46Å; D436-N440 PolarHBondContact O-ND2 2.86Å |
| 437 | S | 79.8 | Confident | 85.6 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.7 | -25.7 | 171.5 | -42.6 | 0 | 0 | 0 | 0 | 112.2 | R434 D435 L441 | R434-S437 WeakPolarHBondContact O-CB 3.47Å; R434-S437 PolarHBondContact O-N 2.87Å; R434-S437 PolarHBondContact O-OG 3.32Å; D435-S437 PolarHBondContact O-N 3.43Å; S437-L441 WeakPolarHBondContact O-CB 3.3Å; S437-L441 PolarHBondContact O-N 3.47Å |
| 438 | V | 84.2 | Confident | 85.5 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.4 | -56.1 | 179.3 | 171.8 | 0 | 0 | 0 | 0 | 112.4 | D435 D436 N440 L441 I442 P471 Q474 V475 | D435-V438 VanDerWaalsContact O-CB 3.31Å; D435-V438 WeakPolarHBondContact O-CB 3.24Å; D435-V438 PolarHBondContact O-N 2.67Å; D435-V438 VanDerWaalsContact O-N 3.07Å; D436-V438 VanDerWaalsContact C-N 3.29Å; V438-N440 VanDerWaalsContact C-N 3.33Å; V438-N440 PolarHBondContact O-N 3.42Å; V438-L441 PolarHBondContact O-N 3.36Å; V438-I442 HydrophobicContact CG1-CD1 3.86Å; V438-I442 WeakPolarHBondContact O-CG1 3.33Å; V438-I442 PolarHBondContact O-N 3.2Å; V438-P471 HydrophobicContact CG2-CB 3.79Å; V438-Q474 HydrophobicContact CG1-CB 4.19Å; V438-V475 HydrophobicContact CB-CG2 4.29Å; V438-V475 HydrophobicContact CG1-CG2 3.84Å; V438-V475 HydrophobicContact CG2-CG2 4.23Å |
| 439 | P | 87.4 | Confident | 85.3 | Confident | 64 Ų | 64 | 42.7 Ų | 42.7 | 42% | 0.416 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.7 | -36.4 | 177.9 | 24.7 | -34.2 | 0 | 0 | 0 | 112.5 | D435 D436 L441 I442 Q443 | D435-P439 VanDerWaalsContact O-CD 3.28Å; D435-P439 WeakPolarHBondContact O-CD 3.24Å; D436-P439 WeakPolarHBondContact O-CD 3.47Å; D436-P439 WeakPolarHBondContact O-CG 3.46Å; P439-L441 VanDerWaalsContact C-N 3.35Å; P439-L441 PolarHBondContact O-N 3.18Å; P439-I442 PolarHBondContact O-N 2.9Å; P439-Q443 WeakPolarHBondContact O-CB 3.42Å; P439-Q443 PolarHBondContact O-N 3.08Å |
| 440 | N | 82.8 | Confident | 85.1 | Confident | 85 Ų | 85 | 49.8 Ų | 49.8 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 177.6 | -66.9 | -13.1 | 0 | 0 | 0 | 111.7 | D436 V438 L444 | D436-N440 PolarHBondContact O-ND2 2.86Å; V438-N440 VanDerWaalsContact C-N 3.33Å; V438-N440 PolarHBondContact O-N 3.42Å; N440-L444 WeakPolarHBondContact O-CB 3.36Å; N440-L444 PolarHBondContact O-N 3.26Å |
| 441 | L | 82.6 | Confident | 85.2 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.2 | -43.4 | 173.5 | 178.5 | 55.9 | 0 | 0 | 0 | 112.3 | I422 L426 S437 V438 P439 Q443 L444 I445 V475 | I422-L441 HydrophobicContact CB-CD1 4.33Å; I422-L441 HydrophobicContact CD1-CD1 4.05Å; I422-L441 HydrophobicContact CG2-CD1 3.68Å; I422-L441 HydrophobicContact CG2-CD2 3.42Å; I422-L441 VanDerWaalsContact CG2-CD2 3.42Å; I422-L441 HydrophobicContact CG2-CG 4.08Å; L426-L441 HydrophobicContact CD1-CD2 3.55Å; S437-L441 WeakPolarHBondContact O-CB 3.3Å; S437-L441 PolarHBondContact O-N 3.47Å; V438-L441 PolarHBondContact O-N 3.36Å; P439-L441 VanDerWaalsContact C-N 3.35Å; P439-L441 PolarHBondContact O-N 3.18Å; L441-Q443 VanDerWaalsContact C-N 3.28Å; L441-Q443 PolarHBondContact O-N 3.36Å; L441-L444 HydrophobicContact CD1-CD2 4.08Å; L441-L444 WeakPolarHBondContact O-CB 3.34Å; L441-L444 PolarHBondContact O-N 2.96Å; L441-L444 VanDerWaalsContact O-N 3.11Å; L441-I445 HydrophobicContact CD1-CD1 3.83Å; L441-I445 HydrophobicContact CD1-CG1 3.92Å; L441-I445 HydrophobicContact CD2-CD1 4.49Å; L441-I445 HydrophobicContact CG-CD1 3.8Å; L441-I445 HydrophobicContact CG-CG1 4.34Å; L441-I445 VanDerWaalsContact O-CG1 3.31Å; L441-I445 WeakPolarHBondContact O-CG1 3.44Å; L441-I445 PolarHBondContact O-N 3.21Å; L441-V475 HydrophobicContact CD2-CB 4.46Å; L441-V475 HydrophobicContact CD2-CG1 3.84Å; L441-V475 HydrophobicContact CD2-CG2 4.01Å; L441-V475 HydrophobicContact CG-CG1 4.22Å |
| 442 | I | 89.1 | Confident | 85.3 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.4 | -44.7 | 174.6 | -76 | 168.9 | 0 | 0 | 0 | 110.3 | V438 P439 I445 T446 W478 Y525 | V438-I442 HydrophobicContact CG1-CD1 3.86Å; V438-I442 WeakPolarHBondContact O-CG1 3.33Å; V438-I442 PolarHBondContact O-N 3.2Å; P439-I442 PolarHBondContact O-N 2.9Å; I442-I445 PolarHBondContact O-N 3.38Å; I442-T446 WeakPolarHBondContact O-CB 3.38Å; I442-T446 PolarHBondContact O-N 3.49Å; I442-T446 PolarHBondContact O-OG1 2.87Å; I442-W478 HydrophobicContact CB-CE3 4.41Å; I442-W478 HydrophobicContact CD1-CB 3.97Å; I442-W478 HydrophobicContact CD1-CD2 4.08Å; I442-W478 HydrophobicContact CD1-CE3 4.46Å; I442-W478 HydrophobicContact CD1-CG 3.84Å; I442-W478 HydrophobicContact CG1-CD2 4.12Å; I442-W478 HydrophobicContact CG1-CE3 4.02Å; I442-W478 HydrophobicContact CG1-CG 4.36Å; I442-W478 HydrophobicContact CG2-CD2 3.76Å; I442-W478 HydrophobicContact CG2-CE3 3.76Å; I442-W478 HydrophobicContact CG2-CH2 3.71Å; I442-W478 HydrophobicContact CG2-CZ2 3.66Å; I442-W478 HydrophobicContact CG2-CZ3 3.74Å; I442-Y525 HydrophobicContact CD1-CE1 4.36Å |
| 443 | Q | 87.9 | Confident | 85.2 | Confident | 34 Ų | 34 | 42.4 Ų | 42.4 | 16% | 0.159 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 174.7 | -176.4 | 172 | 28.6 | 0 | 0 | 112.1 | P439 L441 N447 M586 E587 | P439-Q443 WeakPolarHBondContact O-CB 3.42Å; P439-Q443 PolarHBondContact O-N 3.08Å; L441-Q443 VanDerWaalsContact C-N 3.28Å; L441-Q443 PolarHBondContact O-N 3.36Å; Q443-N447 WeakPolarHBondContact CG-ND2 3.37Å; Q443-N447 WeakPolarHBondContact O-CB 3.01Å; Q443-N447 PolarHBondContact O-N 3.46Å; Q443-N447 PolarHBondContact O-ND2 2.76Å; Q443-M586 HydrophobicContact CG-CB 4.21Å; Q443-M586 PolarHBondContact NE2-O 2.92Å; Q443-E587 PolarHBondContact NE2-O 3.46Å |
| 444 | L | 86.3 | Confident | 85.2 | Confident | 25 Ų | 25 | 42.6 Ų | 42.6 | 13% | 0.131 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 176.3 | 174.2 | 66.9 | 0 | 0 | 0 | 112.2 | H418 I422 N440 L441 N447 S448 | H418-L444 WeakPolarHBondContact CE1-CD2 3.37Å; I422-L444 HydrophobicContact CD1-CD2 3.79Å; N440-L444 WeakPolarHBondContact O-CB 3.36Å; N440-L444 PolarHBondContact O-N 3.26Å; L441-L444 HydrophobicContact CD1-CD2 4.08Å; L441-L444 WeakPolarHBondContact O-CB 3.34Å; L441-L444 PolarHBondContact O-N 2.96Å; L441-L444 VanDerWaalsContact O-N 3.11Å; L444-N447 PolarHBondContact O-N 3.42Å; L444-S448 WeakPolarHBondContact O-CB 3.34Å; L444-S448 PolarHBondContact O-N 2.9Å; L444-S448 PolarHBondContact O-OG 3.02Å |
| 445 | I | 87.4 | Confident | 85.6 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -49.5 | 179.9 | -65 | 168 | 0 | 0 | 0 | 109.6 | L441 I442 N447 S448 H452 T455 L459 V475 Y483 | L441-I445 HydrophobicContact CD1-CD1 3.83Å; L441-I445 HydrophobicContact CD1-CG1 3.92Å; L441-I445 HydrophobicContact CD2-CD1 4.49Å; L441-I445 HydrophobicContact CG-CD1 3.8Å; L441-I445 HydrophobicContact CG-CG1 4.34Å; L441-I445 VanDerWaalsContact O-CG1 3.31Å; L441-I445 WeakPolarHBondContact O-CG1 3.44Å; L441-I445 PolarHBondContact O-N 3.21Å; I442-I445 PolarHBondContact O-N 3.38Å; I445-N447 PolarHBondContact O-N 3.31Å; I445-S448 CarbonylContact O-C 3.14Å; I445-S448 WeakPolarHBondContact O-CA 3.21Å; I445-S448 WeakPolarHBondContact O-CB 3.35Å; I445-S448 PolarHBondContact O-N 2.93Å; I445-H452 PolarHBondContact O-CD2 3.21Å; I445-H452 PolarHBondContact O-NE2 3.06Å; I445-T455 HydrophobicContact CD1-CG2 3.72Å; I445-T455 HydrophobicContact CG1-CG2 3.95Å; I445-T455 HydrophobicContact CG2-CG2 4.1Å; I445-L459 HydrophobicContact CD1-CD1 4.37Å; I445-V475 HydrophobicContact CD1-CG1 4.02Å; I445-Y483 HydrophobicContact CG2-CE2 4.34Å |
| 446 | T | 89.8 | Confident | 86.2 | Confident | 9 Ų | 9 | 32 Ų | 32 | 6% | 0.055 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.8 | -32.6 | 178.4 | -51.1 | 0 | 0 | 0 | 0 | 112.9 | I442 S448 W478 I585 | I442-T446 WeakPolarHBondContact O-CB 3.38Å; I442-T446 PolarHBondContact O-N 3.49Å; I442-T446 PolarHBondContact O-OG1 2.87Å; T446-S448 VanDerWaalsContact C-N 3.26Å; T446-S448 PolarHBondContact O-N 2.94Å; T446-W478 WeakPolarHBondContact OG1-CH2 3.37Å; T446-I585 HydrophobicContact CG2-CB 4.46Å; T446-I585 HydrophobicContact CG2-CG1 4.18Å; T446-I585 HydrophobicContact CG2-CG2 4.45Å |
| 447 | N | 88 | Confident | 86.8 | Confident | 60 Ų | 60 | 29.4 Ų | 29.4 | 32% | 0.321 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 7.7 | 174.2 | -83.5 | -84.3 | 0 | 0 | 0 | 114 | K415 Q443 L444 I445 I585 M586 | K415-N447 PolarHBondContact NZ-O 3.02Å; Q443-N447 WeakPolarHBondContact CG-ND2 3.37Å; Q443-N447 WeakPolarHBondContact O-CB 3.01Å; Q443-N447 PolarHBondContact O-N 3.46Å; Q443-N447 PolarHBondContact O-ND2 2.76Å; L444-N447 PolarHBondContact O-N 3.42Å; I445-N447 PolarHBondContact O-N 3.31Å; N447-I585 WeakPolarHBondContact OD1-CG2 3.37Å; N447-M586 PolarHBondContact ND2-O 3.44Å |
| 448 | S | 87.3 | Confident | 87.2 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | trans | -130.2 | 60.1 | -173.8 | -53 | 0 | 0 | 0 | 0 | 110 | K415 L444 I445 T446 E450 M451 | K415-S448 PolarHBondContact NZ-OG 2.85Å; L444-S448 WeakPolarHBondContact O-CB 3.34Å; L444-S448 PolarHBondContact O-N 2.9Å; L444-S448 PolarHBondContact O-OG 3.02Å; I445-S448 CarbonylContact O-C 3.14Å; I445-S448 WeakPolarHBondContact O-CA 3.21Å; I445-S448 WeakPolarHBondContact O-CB 3.35Å; I445-S448 PolarHBondContact O-N 2.93Å; T446-S448 VanDerWaalsContact C-N 3.26Å; T446-S448 PolarHBondContact O-N 2.94Å; S448-E450 VanDerWaalsContact C-N 3.27Å; S448-E450 PolarHBondContact O-N 3.14Å; S448-M451 WeakPolarHBondContact O-CA 3.44Å; S448-M451 WeakPolarHBondContact O-CB 3.26Å; S448-M451 PolarHBondContact O-N 3.46Å | ||
| 449 | V | 84.6 | Confident | 87.5 | Confident | 92 Ų | 92 | 32 Ų | 32 | 56% | 0.558 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -55.2 | -37.9 | -167.3 | -174.2 | 0 | 0 | 0 | 0 | 113.8 | M451 H452 I585 | V449-M451 PolarHBondContact O-N 3.22Å; V449-H452 PolarHBondContact O-ND1 2.92Å; V449-I585 HydrophobicContact CG2-CD1 4.49Å |
| 450 | E | 84.4 | Confident | 87.7 | Confident | 153 Ų | 153 | 29.5 Ų | 29.5 | 72% | 0.715 | 15% | 0.15 | S | C | * | . | G | 310 helix | trans | -60.4 | -23.1 | 174.2 | 65.2 | -145.3 | -177.8 | 0 | 0 | 114.3 | S448 | S448-E450 VanDerWaalsContact C-N 3.27Å; S448-E450 PolarHBondContact O-N 3.14Å |
| 451 | M | 85.6 | Confident | 88 | Confident | 10 Ų | 10 | 31 Ų | 31 | 5% | 0.049 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -101.9 | -0.5 | -172.2 | -57.6 | -58.5 | -47.2 | 0 | 0 | 114.3 | K415 R416 I419 S448 V449 A453 Y454 T455 E494 | K415-M451 HydrophobicContact CB-CG 4.02Å; R416-M451 HydrophobicContact CB-CE 3.69Å; R416-M451 HydrophobicContact CB-SD 4.32Å; R416-M451 HydrophobicContact CG-CE 3.81Å; I419-M451 HydrophobicContact CD1-CB 3.71Å; I419-M451 HydrophobicContact CD1-CG 3.91Å; S448-M451 WeakPolarHBondContact O-CA 3.44Å; S448-M451 WeakPolarHBondContact O-CB 3.26Å; S448-M451 PolarHBondContact O-N 3.46Å; V449-M451 PolarHBondContact O-N 3.22Å; M451-A453 PolarHBondContact O-N 3.32Å; M451-Y454 HydrophobicContact CE-CD1 3.42Å; M451-Y454 VanDerWaalsContact CE-CD1 3.42Å; M451-Y454 HydrophobicContact CE-CE1 4.1Å; M451-Y454 HydrophobicContact CE-CG 3.92Å; M451-Y454 PolarHBondContact O-N 2.98Å; M451-T455 WeakPolarHBondContact O-CB 3.32Å; M451-T455 PolarHBondContact O-N 2.8Å; M451-T455 PolarHBondContact O-OG1 3.4Å; M451-E494 VanDerWaalsContact CE-OE2 3.26Å; M451-E494 WeakPolarHBondContact CE-OE2 3.36Å |
| 452 | H | 88.8 | Confident | 88.3 | Confident | 14 Ų | 14 | 31.2 Ų | 31.2 | 7% | 0.065 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.1 | -53.6 | -169.7 | -68 | 162.4 | 0 | 0 | 0 | 113 | I445 V449 Y454 T455 V456 Y483 L486 | I445-H452 PolarHBondContact O-CD2 3.21Å; I445-H452 PolarHBondContact O-NE2 3.06Å; V449-H452 PolarHBondContact O-ND1 2.92Å; H452-Y454 PolarHBondContact O-N 3.22Å; H452-T455 PolarHBondContact O-N 3Å; H452-V456 WeakPolarHBondContact O-CG2 3.4Å; H452-V456 PolarHBondContact O-N 3.42Å; H452-Y483 HydrophobicContact CB-CD1 4.25Å; H452-Y483 HydrophobicContact CB-CD2 4.44Å; H452-Y483 HydrophobicContact CB-CE1 4.5Å; H452-Y483 HydrophobicContact CB-CG 4.25Å; H452-Y483 AromaticContact CD2-CE2 3.98Å; H452-Y483 AromaticContact CD2-CZ 3.78Å; H452-Y483 AromaticContact CE1-CE1 3.46Å; H452-Y483 VanDerWaalsContact CE1-CE1 3.46Å; H452-Y483 WeakPolarHBondContact CE1-CE1 3.29Å; H452-Y483 AromaticContact CE1-CZ 3.53Å; H452-Y483 PolarHBondContact CE1-OH 3.39Å; H452-Y483 AromaticContact CG-CE1 3.84Å; H452-Y483 AromaticContact CG-CZ 3.9Å; H452-Y483 AromaticContact ND1-CD1 3.84Å; H452-Y483 AromaticContact ND1-CE1 3.38Å; H452-Y483 WeakPolarHBondContact ND1-CE1 3.36Å; H452-Y483 AromaticContact ND1-CZ 3.76Å; H452-Y483 AromaticContact NE2-CE1 3.97Å; H452-Y483 AromaticContact NE2-CZ 3.56Å; H452-Y483 PolarHBondContact NE2-OH 2.98Å; H452-L486 HydrophobicContact CB-CD1 3.75Å |
| 453 | A | 87.8 | Confident | 88.4 | Confident | 15 Ų | 15 | 30.6 Ų | 30.6 | 12% | 0.124 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.9 | -47.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M451 T455 V456 Q457 L486 Q491 | M451-A453 PolarHBondContact O-N 3.32Å; A453-T455 VanDerWaalsContact C-N 3.34Å; A453-T455 PolarHBondContact O-N 2.84Å; A453-V456 PolarHBondContact O-N 2.82Å; A453-Q457 WeakPolarHBondContact O-CB 3.29Å; A453-Q457 VanDerWaalsContact O-CG 3.31Å; A453-Q457 WeakPolarHBondContact O-CG 3.44Å; A453-Q457 PolarHBondContact O-N 2.88Å; A453-L486 HydrophobicContact CB-CB 4.09Å; A453-Q491 WeakPolarHBondContact CB-O 3.45Å |
| 454 | Y | 89 | Confident | 88.4 | Confident | 11 Ų | 11 | 33.8 Ų | 33.8 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.8 | -48.1 | 174.7 | 178.5 | -105.6 | 0 | 0 | 0 | 112.9 | R416 D420 M451 H452 R458 E494 E495 | R416-Y454 HydrophobicContact CG-CD1 4.41Å; R416-Y454 HydrophobicContact CG-CE1 3.74Å; R416-Y454 PolarHBondContact NE-OH 2.87Å; R416-Y454 VanDerWaalsContact NH2-CE2 3.26Å; R416-Y454 PolarHBondContact NH2-OH 3.12Å; D420-Y454 PolarHBondContact OD1-OH 2.8Å; M451-Y454 HydrophobicContact CE-CD1 3.42Å; M451-Y454 VanDerWaalsContact CE-CD1 3.42Å; M451-Y454 HydrophobicContact CE-CE1 4.1Å; M451-Y454 HydrophobicContact CE-CG 3.92Å; M451-Y454 PolarHBondContact O-N 2.98Å; H452-Y454 PolarHBondContact O-N 3.22Å; Y454-R458 VanDerWaalsContact CE1-NH1 3.32Å; Y454-R458 PolarHBondContact O-N 3.25Å; Y454-R458 VanDerWaalsContact OH-CD 3.24Å; Y454-R458 WeakPolarHBondContact OH-CD 3.28Å; Y454-R458 PolarHBondContact OH-NE 2.92Å; Y454-R458 PolarHBondContact OH-NH1 2.83Å; Y454-R458 VanDerWaalsContact OH-NH1 3.13Å; Y454-E494 HydrophobicContact CD2-CB 4.08Å; Y454-E495 HydrophobicContact CD2-CB 4.16Å; Y454-E495 HydrophobicContact CE2-CB 3.86Å; Y454-E495 WeakPolarHBondContact CE2-OE2 3.49Å; Y454-E495 PolarHBondContact OH-OE2 3.48Å |
| 455 | T | 90.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.9 | -41.6 | -175.9 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | I419 I445 M451 H452 A453 R458 L459 | I419-T455 HydrophobicContact CG2-CG2 3.86Å; I445-T455 HydrophobicContact CD1-CG2 3.72Å; I445-T455 HydrophobicContact CG1-CG2 3.95Å; I445-T455 HydrophobicContact CG2-CG2 4.1Å; M451-T455 WeakPolarHBondContact O-CB 3.32Å; M451-T455 PolarHBondContact O-N 2.8Å; M451-T455 PolarHBondContact O-OG1 3.4Å; H452-T455 PolarHBondContact O-N 3Å; A453-T455 VanDerWaalsContact C-N 3.34Å; A453-T455 PolarHBondContact O-N 2.84Å; T455-R458 PolarHBondContact O-N 2.93Å; T455-L459 HydrophobicContact CG2-CD1 3.88Å; T455-L459 HydrophobicContact CG2-CG 4.47Å; T455-L459 WeakPolarHBondContact O-CB 3.23Å; T455-L459 WeakPolarHBondContact O-CG 3.45Å; T455-L459 PolarHBondContact O-N 3.16Å |
| 456 | V | 90.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.1 | -41.9 | -177.9 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | H452 A453 R458 L459 Y460 C479 I480 Y483 L487 | H452-V456 WeakPolarHBondContact O-CG2 3.4Å; H452-V456 PolarHBondContact O-N 3.42Å; A453-V456 PolarHBondContact O-N 2.82Å; V456-R458 VanDerWaalsContact C-N 3.31Å; V456-R458 PolarHBondContact O-N 2.94Å; V456-L459 PolarHBondContact O-N 2.82Å; V456-Y460 VanDerWaalsContact O-CB 3.3Å; V456-Y460 WeakPolarHBondContact O-CB 3.47Å; V456-Y460 PolarHBondContact O-N 2.79Å; V456-C479 HydrophobicContact CG2-CB 4.1Å; V456-I480 HydrophobicContact CG1-CG1 4.27Å; V456-Y483 HydrophobicContact CG2-CD2 3.81Å; V456-Y483 HydrophobicContact CG2-CG 4.12Å; V456-L487 HydrophobicContact CG1-CB 3.91Å; V456-L487 HydrophobicContact CG1-CD1 4.32Å; V456-L487 HydrophobicContact CG1-CD2 4.21Å; V456-L487 HydrophobicContact CG1-CG 4.38Å |
| 457 | Q | 88.9 | Confident | 88.3 | Confident | 12 Ų | 12 | 43.7 Ų | 43.7 | 6% | 0.056 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.2 | -44.6 | 172.3 | -80.4 | -86 | -12.9 | 0 | 0 | 111.8 | A453 K461 L487 I498 | A453-Q457 WeakPolarHBondContact O-CB 3.29Å; A453-Q457 VanDerWaalsContact O-CG 3.31Å; A453-Q457 WeakPolarHBondContact O-CG 3.44Å; A453-Q457 PolarHBondContact O-N 2.88Å; Q457-K461 PolarHBondContact O-N 3.12Å; Q457-L487 HydrophobicContact CG-CD1 3.99Å; Q457-L487 PolarHBondContact NE2-O 3.07Å; Q457-L487 VanDerWaalsContact NE2-O 3.15Å; Q457-I498 PolarHBondContact NE2-O 3.2Å; Q457-I498 VanDerWaalsContact OE1-CB 3.23Å |
| 458 | R | 88.5 | Confident | 88.3 | Confident | 65 Ų | 65 | 43.5 Ų | 43.5 | 25% | 0.245 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -77.7 | -32.2 | 179.2 | -71.8 | 179.6 | 63.4 | -133.7 | 8.6 | 114.3 | D420 Y454 T455 V456 A462 | D420-R458 IonicContact OD1-CZ 2.77Å; D420-R458 IonicContact OD1-NH1 2.73Å; D420-R458 PolarHBondContact OD1-NH1 3.06Å; D420-R458 IonicContact OD1-NH2 3.9Å; Y454-R458 VanDerWaalsContact CE1-NH1 3.32Å; Y454-R458 PolarHBondContact O-N 3.25Å; Y454-R458 VanDerWaalsContact OH-CD 3.24Å; Y454-R458 WeakPolarHBondContact OH-CD 3.28Å; Y454-R458 PolarHBondContact OH-NE 2.92Å; Y454-R458 PolarHBondContact OH-NH1 2.83Å; Y454-R458 VanDerWaalsContact OH-NH1 3.13Å; T455-R458 PolarHBondContact O-N 2.93Å; V456-R458 VanDerWaalsContact C-N 3.31Å; V456-R458 PolarHBondContact O-N 2.94Å; R458-A462 WeakPolarHBondContact O-CB 3.35Å; R458-A462 PolarHBondContact O-N 3.14Å |
| 459 | L | 90.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 169.4 | -81.2 | 165.3 | 0 | 0 | 0 | 111.2 | M423 I445 T455 V456 A462 L463 L472 V475 A476 C479 | M423-L459 HydrophobicContact CE-CD2 3.84Å; M423-L459 HydrophobicContact CE-CG 4.15Å; M423-L459 HydrophobicContact SD-CD2 3.47Å; M423-L459 WeakPolarHBondContact SD-CD2 3.2Å; M423-L459 HydrophobicContact SD-CG 3.88Å; I445-L459 HydrophobicContact CD1-CD1 4.37Å; T455-L459 HydrophobicContact CG2-CD1 3.88Å; T455-L459 HydrophobicContact CG2-CG 4.47Å; T455-L459 WeakPolarHBondContact O-CB 3.23Å; T455-L459 WeakPolarHBondContact O-CG 3.45Å; T455-L459 PolarHBondContact O-N 3.16Å; V456-L459 PolarHBondContact O-N 2.82Å; L459-A462 PolarHBondContact O-N 3.09Å; L459-L463 WeakPolarHBondContact O-CB 3.46Å; L459-L463 PolarHBondContact O-N 3.19Å; L459-L472 HydrophobicContact CD2-CD1 3.96Å; L459-V475 HydrophobicContact CD1-CG1 4.01Å; L459-V475 HydrophobicContact CD2-CB 4.42Å; L459-V475 HydrophobicContact CD2-CG1 3.94Å; L459-A476 HydrophobicContact CB-CB 4.03Å; L459-A476 HydrophobicContact CD2-CB 4.05Å; L459-C479 HydrophobicContact CD1-CB 3.65Å; L459-C479 VanDerWaalsContact CD1-SG 3.58Å |
| 460 | Y | 90.6 | Very high | 88.7 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 4% | 0.039 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -44.3 | 176.6 | -177.5 | -110 | 0 | 0 | 0 | 111.7 | V456 L463 L464 I480 L487 V500 V505 V508 | V456-Y460 VanDerWaalsContact O-CB 3.3Å; V456-Y460 WeakPolarHBondContact O-CB 3.47Å; V456-Y460 PolarHBondContact O-N 2.79Å; Y460-L463 WeakPolarHBondContact O-CB 3.3Å; Y460-L463 PolarHBondContact O-N 3.07Å; Y460-L464 HydrophobicContact CD1-CD1 4.14Å; Y460-L464 HydrophobicContact CE1-CD1 3.74Å; Y460-L464 WeakPolarHBondContact O-CG 3.49Å; Y460-L464 PolarHBondContact O-N 3.32Å; Y460-L464 VanDerWaalsContact O-N 3.11Å; Y460-I480 HydrophobicContact CD2-CD1 4.06Å; Y460-L487 HydrophobicContact CD1-CD1 4.28Å; Y460-L487 HydrophobicContact CD1-CD2 4.47Å; Y460-L487 HydrophobicContact CD2-CD2 4.04Å; Y460-L487 HydrophobicContact CG-CD1 4.25Å; Y460-L487 HydrophobicContact CG-CD2 3.96Å; Y460-V500 HydrophobicContact CD1-CG1 4.14Å; Y460-V500 HydrophobicContact CD1-CG2 3.87Å; Y460-V500 HydrophobicContact CE1-CB 4.24Å; Y460-V500 HydrophobicContact CE1-CG1 3.48Å; Y460-V500 VanDerWaalsContact CE1-CG1 3.48Å; Y460-V500 HydrophobicContact CE1-CG2 3.65Å; Y460-V505 HydrophobicContact CE2-CG2 3.98Å; Y460-V508 HydrophobicContact CE2-CB 4.4Å; Y460-V508 HydrophobicContact CE2-CG2 4.05Å |
| 461 | K | 89.3 | Confident | 88.9 | Confident | 118 Ų | 118 | 34.2 Ų | 34.2 | 51% | 0.513 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.6 | -50 | 174.1 | -170.5 | 176.5 | -171.8 | 167.9 | 0 | 112.5 | Q457 L463 L464 D465 I498 | Q457-K461 PolarHBondContact O-N 3.12Å; K461-L463 PolarHBondContact O-N 2.95Å; K461-L464 WeakPolarHBondContact O-CB 3.43Å; K461-L464 PolarHBondContact O-N 3.35Å; K461-L464 VanDerWaalsContact O-N 3.15Å; K461-D465 PolarHBondContact O-N 3.31Å; K461-I498 HydrophobicContact CB-CD1 4.26Å; K461-I498 HydrophobicContact CD-CD1 4.08Å; K461-I498 HydrophobicContact CG-CD1 4.41Å |
| 462 | A | 89.9 | Confident | 89.2 | Confident | 9 Ų | 9 | 33.8 Ų | 33.8 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.9 | -28.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M423 T427 R458 L459 D465 D466 L472 | M423-A462 HydrophobicContact CE-CB 3.86Å; T427-A462 HydrophobicContact CG2-CB 3.91Å; R458-A462 WeakPolarHBondContact O-CB 3.35Å; R458-A462 PolarHBondContact O-N 3.14Å; L459-A462 PolarHBondContact O-N 3.09Å; A462-D465 PolarHBondContact O-N 2.77Å; A462-D466 PolarHBondContact O-N 3.27Å; A462-L472 HydrophobicContact CB-CD1 4.27Å; A462-L472 HydrophobicContact CB-CD2 4.14Å |
| 463 | L | 89.7 | Confident | 89.3 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.3 | -31.2 | 175 | 179.7 | 62.2 | 0 | 0 | 0 | 112.9 | L459 Y460 K461 D465 I467 V473 A476 I480 V508 L512 | L459-L463 WeakPolarHBondContact O-CB 3.46Å; L459-L463 PolarHBondContact O-N 3.19Å; Y460-L463 WeakPolarHBondContact O-CB 3.3Å; Y460-L463 PolarHBondContact O-N 3.07Å; K461-L463 PolarHBondContact O-N 2.95Å; L463-D465 VanDerWaalsContact C-N 3.35Å; L463-I467 HydrophobicContact CD1-CG2 4.25Å; L463-I467 WeakPolarHBondContact O-CG2 3.5Å; L463-V473 HydrophobicContact CD1-CB 4.23Å; L463-V473 HydrophobicContact CD1-CG1 3.93Å; L463-V473 HydrophobicContact CD1-CG2 3.84Å; L463-A476 HydrophobicContact CB-CB 4.26Å; L463-A476 HydrophobicContact CD2-CB 4.01Å; L463-I480 HydrophobicContact CD2-CD1 3.85Å; L463-V508 HydrophobicContact CD2-CG1 3.58Å; L463-V508 HydrophobicContact CG-CG1 3.88Å; L463-L512 HydrophobicContact CD1-CD1 4.12Å; L463-L512 HydrophobicContact CD1-CD2 4.19Å; L463-L512 HydrophobicContact CD2-CD1 4.25Å |
| 464 | L | 89 | Confident | 89.5 | Confident | 101 Ų | 101 | 33 Ų | 33 | 53% | 0.529 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -71.2 | -30.2 | 171.9 | -69.9 | 167.8 | 0 | 0 | 0 | 112.3 | Y460 K461 V508 | Y460-L464 HydrophobicContact CD1-CD1 4.14Å; Y460-L464 HydrophobicContact CE1-CD1 3.74Å; Y460-L464 WeakPolarHBondContact O-CG 3.49Å; Y460-L464 PolarHBondContact O-N 3.32Å; Y460-L464 VanDerWaalsContact O-N 3.11Å; K461-L464 WeakPolarHBondContact O-CB 3.43Å; K461-L464 PolarHBondContact O-N 3.35Å; K461-L464 VanDerWaalsContact O-N 3.15Å; L464-V508 HydrophobicContact CD2-CG2 3.57Å |
| 465 | D | 88.1 | Confident | 89.7 | Confident | 129 Ų | 129 | 32.5 Ų | 32.5 | 69% | 0.69 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -74.6 | -45.8 | -179.8 | -67.3 | -36.5 | 0 | 0 | 0 | 112.7 | K461 A462 L463 | K461-D465 PolarHBondContact O-N 3.31Å; A462-D465 PolarHBondContact O-N 2.77Å; L463-D465 VanDerWaalsContact C-N 3.35Å |
| 466 | D | 86.2 | Confident | 89.8 | Confident | 57 Ų | 57 | 32.4 Ų | 32.4 | 31% | 0.305 | 16% | 0.164 | S | C | . | . | trans | -152.2 | 109 | -178 | -174.2 | 0.8 | 0 | 0 | 0 | 114.3 | A462 S468 Q469 | A462-D466 PolarHBondContact O-N 3.27Å; D466-S468 VanDerWaalsContact CG-OG 3.27Å; D466-S468 WeakPolarHBondContact OD1-CB 3.48Å; D466-S468 PolarHBondContact OD1-N 3.32Å; D466-S468 PolarHBondContact OD1-OG 3.41Å; D466-S468 PolarHBondContact OD2-OG 2.87Å; D466-Q469 VanDerWaalsContact OD2-CG 3.31Å; D466-Q469 WeakPolarHBondContact OD2-CG 3.36Å; D466-Q469 PolarHBondContact OD2-NE2 3.37Å | ||
| 467 | I | 87.3 | Confident | 90 | Very high | 58 Ų | 58 | 32.4 Ų | 32.4 | 30% | 0.297 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -84.5 | -2 | 176.4 | 66 | 167.6 | 0 | 0 | 0 | 114.7 | L463 Q469 Q470 L512 L517 | L463-I467 HydrophobicContact CD1-CG2 4.25Å; L463-I467 WeakPolarHBondContact O-CG2 3.5Å; I467-Q469 VanDerWaalsContact C-N 3.34Å; I467-Q470 PolarHBondContact O-NE2 3.31Å; I467-L512 HydrophobicContact CB-CD2 3.92Å; I467-L512 HydrophobicContact CG2-CD2 3.83Å; I467-L517 HydrophobicContact CG1-CD1 4.31Å |
| 468 | S | 88 | Confident | 90.2 | Very high | 55 Ų | 55 | 33.7 Ų | 33.7 | 39% | 0.385 | 17% | 0.169 | S | C | . | . | trans | -73.8 | -28.9 | -179.6 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | D466 Q470 | D466-S468 VanDerWaalsContact CG-OG 3.27Å; D466-S468 WeakPolarHBondContact OD1-CB 3.48Å; D466-S468 PolarHBondContact OD1-N 3.32Å; D466-S468 PolarHBondContact OD1-OG 3.41Å; D466-S468 PolarHBondContact OD2-OG 2.87Å; S468-Q470 PolarHBondContact O-N 2.75Å; S468-Q470 PolarHBondContact O-NE2 2.79Å | ||
| 469 | Q | 89.4 | Confident | 90.5 | Very high | 25 Ų | 25 | 30.6 Ų | 30.6 | 12% | 0.117 | 16% | 0.157 | C | C | . | . | trans | -79.4 | 81.9 | -168.9 | -55.4 | -173.6 | 16.4 | 0 | 0 | 112.2 | L426 T427 D466 I467 P471 L472 V473 | L426-Q469 PolarHBondContact O-OE1 3.21Å; T427-Q469 VanDerWaalsContact CA-OE1 3.29Å; T427-Q469 PolarHBondContact O-NE2 3.32Å; D466-Q469 VanDerWaalsContact OD2-CG 3.31Å; D466-Q469 WeakPolarHBondContact OD2-CG 3.36Å; D466-Q469 PolarHBondContact OD2-NE2 3.37Å; I467-Q469 VanDerWaalsContact C-N 3.34Å; Q469-P471 VanDerWaalsContact O-N 3.16Å; Q469-L472 HydrophobicContact CB-CB 4.05Å; Q469-L472 HydrophobicContact CB-CD2 4.37Å; Q469-L472 WeakPolarHBondContact O-CB 3.47Å; Q469-L472 PolarHBondContact O-N 3.26Å; Q469-V473 WeakPolarHBondContact O-CG2 3.45Å; Q469-V473 PolarHBondContact O-N 3.23Å; Q469-V473 VanDerWaalsContact O-N 3.09Å | ||
| 470 | Q | 89.8 | Confident | 90.6 | Very high | 25 Ų | 25 | 30.6 Ų | 30.6 | 12% | 0.117 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -50.9 | -43.2 | -167.9 | -59.9 | -58.5 | -65.1 | 0 | 0 | 115.8 | I467 S468 L472 V473 Q474 L517 T519 T522 | I467-Q470 PolarHBondContact O-NE2 3.31Å; S468-Q470 PolarHBondContact O-N 2.75Å; S468-Q470 PolarHBondContact O-NE2 2.79Å; Q470-L472 PolarHBondContact O-N 2.88Å; Q470-V473 PolarHBondContact O-N 3.32Å; Q470-Q474 VanDerWaalsContact O-CG 3.28Å; Q470-Q474 WeakPolarHBondContact O-CG 3.4Å; Q470-Q474 PolarHBondContact O-N 2.97Å; Q470-L517 PolarHBondContact NE2-O 2.97Å; Q470-T519 HydrophobicContact CB-CG2 4.49Å; Q470-T519 HydrophobicContact CG-CG2 3.93Å; Q470-T522 PolarHBondContact OE1-OG1 3.17Å |
| 471 | P | 89.8 | Confident | 90.7 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.6 | -38 | 176.1 | -25.8 | 37.7 | 0 | 0 | 0 | 113.7 | L426 V433 V438 Q469 V475 | L426-P471 HydrophobicContact CD2-CB 4.04Å; V433-P471 HydrophobicContact CB-CB 4.43Å; V433-P471 HydrophobicContact CB-CG 4.34Å; V438-P471 HydrophobicContact CG2-CB 3.79Å; Q469-P471 VanDerWaalsContact O-N 3.16Å; P471-V475 VanDerWaalsContact O-CG2 3.28Å; P471-V475 WeakPolarHBondContact O-CG2 3.37Å; P471-V475 PolarHBondContact O-N 3.26Å |
| 472 | L | 90.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.7 | -47 | 174.8 | 174.1 | 64.7 | 0 | 0 | 0 | 110.6 | M423 L426 T427 L459 A462 Q469 Q470 Q474 V475 A476 | M423-L472 HydrophobicContact CE-CD1 4.04Å; M423-L472 HydrophobicContact SD-CD1 4.45Å; L426-L472 HydrophobicContact CB-CB 4.29Å; L426-L472 HydrophobicContact CB-CD1 4.08Å; L426-L472 HydrophobicContact CD1-CD1 4.07Å; T427-L472 HydrophobicContact CG2-CD2 4.1Å; L459-L472 HydrophobicContact CD2-CD1 3.96Å; A462-L472 HydrophobicContact CB-CD1 4.27Å; A462-L472 HydrophobicContact CB-CD2 4.14Å; Q469-L472 HydrophobicContact CB-CB 4.05Å; Q469-L472 HydrophobicContact CB-CD2 4.37Å; Q469-L472 WeakPolarHBondContact O-CB 3.47Å; Q469-L472 PolarHBondContact O-N 3.26Å; Q470-L472 PolarHBondContact O-N 2.88Å; L472-Q474 PolarHBondContact O-N 2.73Å; L472-V475 PolarHBondContact O-N 3.29Å; L472-A476 VanDerWaalsContact O-CB 3.3Å; L472-A476 WeakPolarHBondContact O-CB 3.28Å; L472-A476 PolarHBondContact O-N 2.99Å |
| 473 | V | 91.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.6 | -38 | -178.2 | -177.7 | 0 | 0 | 0 | 0 | 112 | L463 Q469 Q470 S477 L512 T522 | L463-V473 HydrophobicContact CD1-CB 4.23Å; L463-V473 HydrophobicContact CD1-CG1 3.93Å; L463-V473 HydrophobicContact CD1-CG2 3.84Å; Q469-V473 WeakPolarHBondContact O-CG2 3.45Å; Q469-V473 PolarHBondContact O-N 3.23Å; Q469-V473 VanDerWaalsContact O-N 3.09Å; Q470-V473 PolarHBondContact O-N 3.32Å; V473-S477 VanDerWaalsContact O-CB 3.26Å; V473-S477 WeakPolarHBondContact O-CB 3.45Å; V473-S477 PolarHBondContact O-N 2.73Å; V473-S477 PolarHBondContact O-OG 3.3Å; V473-L512 HydrophobicContact CG1-CD1 3.46Å; V473-L512 VanDerWaalsContact CG1-CD1 3.46Å; V473-L512 HydrophobicContact CG1-CD2 3.55Å; V473-L512 HydrophobicContact CG1-CG 4.11Å; V473-T522 HydrophobicContact CB-CG2 3.94Å; V473-T522 HydrophobicContact CG1-CG2 3.36Å |
| 474 | Q | 92 | Very high | 90.8 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 6% | 0.056 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.7 | -46.7 | 176.6 | -72.3 | 168.4 | 16.4 | 0 | 0 | 112 | V438 Q470 L472 W478 T522 Y525 | V438-Q474 HydrophobicContact CG1-CB 4.19Å; Q470-Q474 VanDerWaalsContact O-CG 3.28Å; Q470-Q474 WeakPolarHBondContact O-CG 3.4Å; Q470-Q474 PolarHBondContact O-N 2.97Å; L472-Q474 PolarHBondContact O-N 2.73Å; Q474-W478 WeakPolarHBondContact O-CB 3.48Å; Q474-W478 PolarHBondContact O-N 3.23Å; Q474-T522 HydrophobicContact CG-CG2 4.25Å; Q474-T522 WeakPolarHBondContact CG-OG1 3.24Å; Q474-T522 PolarHBondContact NE2-OG1 3.11Å; Q474-Y525 HydrophobicContact CB-CD2 4.06Å; Q474-Y525 HydrophobicContact CB-CE2 4.23Å; Q474-Y525 HydrophobicContact CG-CD2 3.89Å; Q474-Y525 HydrophobicContact CG-CE2 4.23Å |
| 475 | V | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.2 | -47.7 | 176.1 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | V438 L441 I445 L459 P471 L472 S477 W478 C479 | V438-V475 HydrophobicContact CB-CG2 4.29Å; V438-V475 HydrophobicContact CG1-CG2 3.84Å; V438-V475 HydrophobicContact CG2-CG2 4.23Å; L441-V475 HydrophobicContact CD2-CB 4.46Å; L441-V475 HydrophobicContact CD2-CG1 3.84Å; L441-V475 HydrophobicContact CD2-CG2 4.01Å; L441-V475 HydrophobicContact CG-CG1 4.22Å; I445-V475 HydrophobicContact CD1-CG1 4.02Å; L459-V475 HydrophobicContact CD1-CG1 4.01Å; L459-V475 HydrophobicContact CD2-CB 4.42Å; L459-V475 HydrophobicContact CD2-CG1 3.94Å; P471-V475 VanDerWaalsContact O-CG2 3.28Å; P471-V475 WeakPolarHBondContact O-CG2 3.37Å; P471-V475 PolarHBondContact O-N 3.26Å; L472-V475 PolarHBondContact O-N 3.29Å; V475-S477 PolarHBondContact O-N 2.93Å; V475-W478 PolarHBondContact O-N 3.25Å; V475-C479 WeakPolarHBondContact O-CB 3.44Å; V475-C479 PolarHBondContact O-N 3.45Å; V475-C479 PolarHBondContact O-SG 3.24Å; V475-C479 VanDerWaalsContact O-SG 3.42Å |
| 476 | A | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.9 | -48.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | L459 L463 L472 W478 C479 I480 | L459-A476 HydrophobicContact CB-CB 4.03Å; L459-A476 HydrophobicContact CD2-CB 4.05Å; L463-A476 HydrophobicContact CB-CB 4.26Å; L463-A476 HydrophobicContact CD2-CB 4.01Å; L472-A476 VanDerWaalsContact O-CB 3.3Å; L472-A476 WeakPolarHBondContact O-CB 3.28Å; L472-A476 PolarHBondContact O-N 2.99Å; A476-W478 PolarHBondContact O-N 3.36Å; A476-C479 PolarHBondContact O-N 3.11Å; A476-I480 WeakPolarHBondContact O-CB 3.35Å; A476-I480 WeakPolarHBondContact O-CD1 3.32Å; A476-I480 WeakPolarHBondContact O-CG1 3.38Å; A476-I480 PolarHBondContact O-N 2.93Å |
| 477 | S | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.3 | -46 | 177.1 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | V473 V475 G481 A529 | V473-S477 VanDerWaalsContact O-CB 3.26Å; V473-S477 WeakPolarHBondContact O-CB 3.45Å; V473-S477 PolarHBondContact O-N 2.73Å; V473-S477 PolarHBondContact O-OG 3.3Å; V475-S477 PolarHBondContact O-N 2.93Å; S477-G481 PolarHBondContact O-N 3.47Å; S477-G481 VanDerWaalsContact O-N 3.08Å; S477-A529 WeakPolarHBondContact O-CB 3.17Å |
| 478 | W | 94.8 | Very high | 90.6 | Very high | 38 Ų | 38 | 15.1 Ų | 15.1 | 14% | 0.144 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 178.6 | -173.1 | 92.7 | 0 | 0 | 0 | 112.1 | I442 T446 Q474 V475 A476 G481 E482 Y483 Y525 | I442-W478 HydrophobicContact CB-CE3 4.41Å; I442-W478 HydrophobicContact CD1-CB 3.97Å; I442-W478 HydrophobicContact CD1-CD2 4.08Å; I442-W478 HydrophobicContact CD1-CE3 4.46Å; I442-W478 HydrophobicContact CD1-CG 3.84Å; I442-W478 HydrophobicContact CG1-CD2 4.12Å; I442-W478 HydrophobicContact CG1-CE3 4.02Å; I442-W478 HydrophobicContact CG1-CG 4.36Å; I442-W478 HydrophobicContact CG2-CD2 3.76Å; I442-W478 HydrophobicContact CG2-CE3 3.76Å; I442-W478 HydrophobicContact CG2-CH2 3.71Å; I442-W478 HydrophobicContact CG2-CZ2 3.66Å; I442-W478 HydrophobicContact CG2-CZ3 3.74Å; T446-W478 WeakPolarHBondContact OG1-CH2 3.37Å; Q474-W478 WeakPolarHBondContact O-CB 3.48Å; Q474-W478 PolarHBondContact O-N 3.23Å; V475-W478 PolarHBondContact O-N 3.25Å; A476-W478 PolarHBondContact O-N 3.36Å; W478-G481 PolarHBondContact O-N 3.16Å; W478-G481 VanDerWaalsContact O-N 3.16Å; W478-E482 HydrophobicContact CD2-CG 4.24Å; W478-E482 HydrophobicContact CE3-CG 4.26Å; W478-E482 HydrophobicContact CH2-CB 4.48Å; W478-E482 HydrophobicContact CH2-CG 3.69Å; W478-E482 HydrophobicContact CZ2-CG 3.69Å; W478-E482 HydrophobicContact CZ3-CB 4.45Å; W478-E482 HydrophobicContact CZ3-CG 3.99Å; W478-E482 PolarHBondContact O-N 3Å; W478-E482 VanDerWaalsContact O-N 3.14Å; W478-Y483 HydrophobicContact CZ3-CE2 4Å; W478-Y525 HydrophobicContact CB-CD1 3.89Å; W478-Y525 HydrophobicContact CB-CE1 4.06Å; W478-Y525 AromaticContact CD1-CE1 3.75Å; W478-Y525 HydrophobicContact CG-CD1 4.37Å; W478-Y525 HydrophobicContact CG-CE1 4.23Å |
| 479 | C | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.3 | -39.8 | 179.5 | -72.5 | 0 | 0 | 0 | 0 | 112.7 | V456 L459 V475 A476 G481 E482 Y483 | V456-C479 HydrophobicContact CG2-CB 4.1Å; L459-C479 HydrophobicContact CD1-CB 3.65Å; L459-C479 VanDerWaalsContact CD1-SG 3.58Å; V475-C479 WeakPolarHBondContact O-CB 3.44Å; V475-C479 PolarHBondContact O-N 3.45Å; V475-C479 PolarHBondContact O-SG 3.24Å; V475-C479 VanDerWaalsContact O-SG 3.42Å; A476-C479 PolarHBondContact O-N 3.11Å; C479-G481 VanDerWaalsContact C-N 3.26Å; C479-G481 PolarHBondContact O-N 2.92Å; C479-E482 PolarHBondContact O-N 3.44Å; C479-Y483 HydrophobicContact CB-CD2 4.46Å; C479-Y483 WeakPolarHBondContact O-CB 3.42Å; C479-Y483 PolarHBondContact O-N 3.1Å |
| 480 | I | 93.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.9 | -37 | 173.4 | -68.9 | 163.9 | 0 | 0 | 0 | 110.5 | V456 Y460 L463 A476 G484 L487 V505 L509 L533 | V456-I480 HydrophobicContact CG1-CG1 4.27Å; Y460-I480 HydrophobicContact CD2-CD1 4.06Å; L463-I480 HydrophobicContact CD2-CD1 3.85Å; A476-I480 WeakPolarHBondContact O-CB 3.35Å; A476-I480 WeakPolarHBondContact O-CD1 3.32Å; A476-I480 WeakPolarHBondContact O-CG1 3.38Å; A476-I480 PolarHBondContact O-N 2.93Å; I480-G484 VanDerWaalsContact O-CA 3.25Å; I480-G484 WeakPolarHBondContact O-CA 3.45Å; I480-G484 PolarHBondContact O-N 2.77Å; I480-L487 HydrophobicContact CG1-CD2 4.4Å; I480-V505 HydrophobicContact CG2-CG1 3.54Å; I480-L509 HydrophobicContact CG2-CD1 3.99Å; I480-L533 HydrophobicContact CG2-CD1 4.25Å; I480-L533 WeakPolarHBondContact O-CD2 3.43Å |
| 481 | G | 93.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.5 | -39.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S477 W478 C479 K532 | S477-G481 PolarHBondContact O-N 3.47Å; S477-G481 VanDerWaalsContact O-N 3.08Å; W478-G481 PolarHBondContact O-N 3.16Å; W478-G481 VanDerWaalsContact O-N 3.16Å; C479-G481 VanDerWaalsContact C-N 3.26Å; C479-G481 PolarHBondContact O-N 2.92Å; G481-K532 WeakPolarHBondContact O-CB 3.38Å |
| 482 | E | 91.1 | Very high | 87.2 | Confident | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.019 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -83.9 | -31.2 | -179.5 | -71.4 | -73.4 | 159.5 | 0 | 0 | 113.9 | W478 C479 K532 R582 M583 | W478-E482 HydrophobicContact CD2-CG 4.24Å; W478-E482 HydrophobicContact CE3-CG 4.26Å; W478-E482 HydrophobicContact CH2-CB 4.48Å; W478-E482 HydrophobicContact CH2-CG 3.69Å; W478-E482 HydrophobicContact CZ2-CG 3.69Å; W478-E482 HydrophobicContact CZ3-CB 4.45Å; W478-E482 HydrophobicContact CZ3-CG 3.99Å; W478-E482 PolarHBondContact O-N 3Å; W478-E482 VanDerWaalsContact O-N 3.14Å; C479-E482 PolarHBondContact O-N 3.44Å; E482-K532 WeakPolarHBondContact OE1-CE 3.4Å; E482-K532 IonicContact OE1-NZ 2.79Å; E482-K532 PolarHBondContact OE1-NZ 2.94Å; E482-R582 PolarHBondContact O-NE 3.46Å; E482-R582 VanDerWaalsContact OE2-CA 3.27Å; E482-R582 WeakPolarHBondContact OE2-CA 3.38Å; E482-M583 WeakPolarHBondContact OE1-CG 3.43Å; E482-M583 PolarHBondContact OE2-N 2.94Å |
| 483 | Y | 91.2 | Very high | 86 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -131.2 | 18 | -166.1 | -49.3 | -57.3 | 0 | 0 | 0 | 113.6 | I445 H452 V456 W478 C479 D485 L486 L487 | I445-Y483 HydrophobicContact CG2-CE2 4.34Å; H452-Y483 HydrophobicContact CB-CD1 4.25Å; H452-Y483 HydrophobicContact CB-CD2 4.44Å; H452-Y483 HydrophobicContact CB-CE1 4.5Å; H452-Y483 HydrophobicContact CB-CG 4.25Å; H452-Y483 AromaticContact CD2-CE2 3.98Å; H452-Y483 AromaticContact CD2-CZ 3.78Å; H452-Y483 AromaticContact CE1-CE1 3.46Å; H452-Y483 VanDerWaalsContact CE1-CE1 3.46Å; H452-Y483 WeakPolarHBondContact CE1-CE1 3.29Å; H452-Y483 AromaticContact CE1-CZ 3.53Å; H452-Y483 PolarHBondContact CE1-OH 3.39Å; H452-Y483 AromaticContact CG-CE1 3.84Å; H452-Y483 AromaticContact CG-CZ 3.9Å; H452-Y483 AromaticContact ND1-CD1 3.84Å; H452-Y483 AromaticContact ND1-CE1 3.38Å; H452-Y483 WeakPolarHBondContact ND1-CE1 3.36Å; H452-Y483 AromaticContact ND1-CZ 3.76Å; H452-Y483 AromaticContact NE2-CE1 3.97Å; H452-Y483 AromaticContact NE2-CZ 3.56Å; H452-Y483 PolarHBondContact NE2-OH 2.98Å; V456-Y483 HydrophobicContact CG2-CD2 3.81Å; V456-Y483 HydrophobicContact CG2-CG 4.12Å; W478-Y483 HydrophobicContact CZ3-CE2 4Å; C479-Y483 HydrophobicContact CB-CD2 4.46Å; C479-Y483 WeakPolarHBondContact O-CB 3.42Å; C479-Y483 PolarHBondContact O-N 3.1Å; Y483-D485 VanDerWaalsContact C-OD1 3.25Å; Y483-D485 WeakPolarHBondContact CA-OD1 3.35Å; Y483-D485 PolarHBondContact O-N 3.23Å; Y483-L486 HydrophobicContact CD1-CD1 4.39Å; Y483-L486 WeakPolarHBondContact O-CA 3.16Å; Y483-L486 WeakPolarHBondContact O-CB 3.43Å; Y483-L486 PolarHBondContact O-N 2.75Å; Y483-L487 PolarHBondContact O-N 2.89Å |
| 484 | G | 87.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.8 | -28 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I480 L486 L487 V488 F537 | I480-G484 VanDerWaalsContact O-CA 3.25Å; I480-G484 WeakPolarHBondContact O-CA 3.45Å; I480-G484 PolarHBondContact O-N 2.77Å; G484-L486 VanDerWaalsContact C-N 3.29Å; G484-L486 PolarHBondContact O-N 2.94Å; G484-L487 WeakPolarHBondContact O-CB 3.45Å; G484-L487 PolarHBondContact O-N 3.09Å; G484-L487 VanDerWaalsContact O-N 3.13Å; G484-V488 PolarHBondContact O-N 3.03Å; G484-F537 WeakPolarHBondContact O-CE1 3.47Å |
| 485 | D | 88.1 | Confident | 83.7 | Confident | 49 Ų | 49 | 40.4 Ų | 40.4 | 26% | 0.262 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.3 | -36.3 | 169.7 | 58.4 | -36.4 | 0 | 0 | 0 | 112.6 | Y483 S489 R536 R582 | Y483-D485 VanDerWaalsContact C-OD1 3.25Å; Y483-D485 WeakPolarHBondContact CA-OD1 3.35Å; Y483-D485 PolarHBondContact O-N 3.23Å; D485-S489 VanDerWaalsContact O-CB 3.26Å; D485-S489 WeakPolarHBondContact O-CB 3.12Å; D485-S489 PolarHBondContact O-N 3.46Å; D485-S489 VanDerWaalsContact O-N 3.15Å; D485-S489 PolarHBondContact O-OG 3.28Å; D485-R536 HydrophobicContact CB-CB 4.37Å; D485-R582 IonicContact OD1-CZ 2.93Å; D485-R582 IonicContact OD1-NH2 3.76Å; D485-R582 PolarHBondContact OD1-NH2 2.88Å; D485-R582 IonicContact OD2-CZ 3.2Å; D485-R582 IonicContact OD2-NH2 2.79Å; D485-R582 PolarHBondContact OD2-NH2 3.34Å |
| 486 | L | 87.1 | Confident | 82.7 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 25% | 0.251 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -80 | -17.5 | 174.4 | -56.6 | -179.6 | 0 | 0 | 0 | 113.5 | H452 A453 Y483 G484 S489 | H452-L486 HydrophobicContact CB-CD1 3.75Å; A453-L486 HydrophobicContact CB-CB 4.09Å; Y483-L486 HydrophobicContact CD1-CD1 4.39Å; Y483-L486 WeakPolarHBondContact O-CA 3.16Å; Y483-L486 WeakPolarHBondContact O-CB 3.43Å; Y483-L486 PolarHBondContact O-N 2.75Å; G484-L486 VanDerWaalsContact C-N 3.29Å; G484-L486 PolarHBondContact O-N 2.94Å; L486-S489 PolarHBondContact O-OG 2.7Å |
| 487 | L | 86.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -75.3 | -51.8 | 172.5 | -179.5 | 59.6 | 0 | 0 | 0 | 110.5 | V456 Q457 Y460 I480 Y483 G484 V500 V505 | V456-L487 HydrophobicContact CG1-CB 3.91Å; V456-L487 HydrophobicContact CG1-CD1 4.32Å; V456-L487 HydrophobicContact CG1-CD2 4.21Å; V456-L487 HydrophobicContact CG1-CG 4.38Å; Q457-L487 HydrophobicContact CG-CD1 3.99Å; Q457-L487 PolarHBondContact NE2-O 3.07Å; Q457-L487 VanDerWaalsContact NE2-O 3.15Å; Y460-L487 HydrophobicContact CD1-CD1 4.28Å; Y460-L487 HydrophobicContact CD1-CD2 4.47Å; Y460-L487 HydrophobicContact CD2-CD2 4.04Å; Y460-L487 HydrophobicContact CG-CD1 4.25Å; Y460-L487 HydrophobicContact CG-CD2 3.96Å; I480-L487 HydrophobicContact CG1-CD2 4.4Å; Y483-L487 PolarHBondContact O-N 2.89Å; G484-L487 WeakPolarHBondContact O-CB 3.45Å; G484-L487 PolarHBondContact O-N 3.09Å; G484-L487 VanDerWaalsContact O-N 3.13Å; L487-V500 HydrophobicContact CD1-CB 4.5Å; L487-V500 HydrophobicContact CD1-CG2 4.22Å; L487-V500 HydrophobicContact CD2-CG1 4.33Å; L487-V500 HydrophobicContact CG-CB 4.39Å; L487-V500 HydrophobicContact CG-CG1 4.19Å; L487-V505 HydrophobicContact CD2-CG2 3.73Å |
| 488 | V | 84.8 | Confident | 80.9 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 29% | 0.291 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -77.9 | -24.6 | -175.3 | 176.3 | 0 | 0 | 0 | 0 | 113 | G484 G490 E502 F537 | G484-V488 PolarHBondContact O-N 3.03Å; V488-G490 PolarHBondContact O-N 2.68Å; V488-E502 HydrophobicContact CG1-CG 4.19Å; V488-E502 HydrophobicContact CG2-CG 4.45Å; V488-F537 HydrophobicContact CB-CE1 4.18Å; V488-F537 HydrophobicContact CG2-CE1 3.51Å; V488-F537 HydrophobicContact CG2-CZ 3.48Å; V488-F537 VanDerWaalsContact CG2-CZ 3.48Å |
| 489 | S | 79.4 | Confident | 80 | Confident | 54 Ų | 54 | 62.3 Ų | 62.3 | 38% | 0.378 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18.6 | 176.9 | 69.8 | 0 | 0 | 0 | 0 | 114.2 | D485 L486 Q491 | D485-S489 VanDerWaalsContact O-CB 3.26Å; D485-S489 WeakPolarHBondContact O-CB 3.12Å; D485-S489 PolarHBondContact O-N 3.46Å; D485-S489 VanDerWaalsContact O-N 3.15Å; D485-S489 PolarHBondContact O-OG 3.28Å; L486-S489 PolarHBondContact O-OG 2.7Å; S489-Q491 PolarHBondContact O-N 3.35Å; S489-Q491 PolarHBondContact OG-N 3.11Å |
| 490 | G | 68.1 | Low | 79.4 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | trans | 65 | 16.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V488 C492 P497 | V488-G490 PolarHBondContact O-N 2.68Å; G490-C492 PolarHBondContact O-N 3.32Å; G490-P497 WeakPolarHBondContact O-CB 3.42Å; G490-P497 WeakPolarHBondContact O-CG 3.36Å | ||
| 491 | Q | 67.5 | Low | 79 | Confident | 154 Ų | 154 | 66.3 Ų | 66.3 | 72% | 0.72 | 34% | 0.343 | S | S | * | . | trans | -96.4 | 86.3 | -177.1 | -69.4 | 177.7 | -0.5 | 0 | 0 | 111.1 | A453 S489 | A453-Q491 WeakPolarHBondContact CB-O 3.45Å; S489-Q491 PolarHBondContact O-N 3.35Å; S489-Q491 PolarHBondContact OG-N 3.11Å | ||
| 492 | C | 70.9 | Confident | 78.7 | Confident | 21 Ų | 21 | 68.1 Ų | 68.1 | 14% | 0.142 | 35% | 0.352 | C | S | . | . | trans | -116.8 | 119.6 | 168.7 | -167.5 | 0 | 0 | 0 | 0 | 109.7 | G490 E494 P497 | G490-C492 PolarHBondContact O-N 3.32Å; C492-E494 VanDerWaalsContact C-N 3.34Å; C492-P497 HydrophobicContact CB-CB 4.39Å; C492-P497 HydrophobicContact CB-CG 4.04Å | ||
| 493 | E | 65.3 | Low | 78.5 | Confident | 210 Ų | 210 | 71.7 Ų | 71.7 | 98% | 0.981 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -84.6 | -8.3 | 176.6 | -57.7 | -147.8 | 143.7 | 0 | 0 | 113.3 | ||
| 494 | E | 65.6 | Low | 78.4 | Confident | 85 Ų | 85 | 75.6 Ų | 75.6 | 40% | 0.397 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -110 | -15.1 | -166.6 | -95 | -126.4 | 143.6 | 0 | 0 | 115.4 | R416 M451 Y454 C492 | R416-E494 WeakPolarHBondContact CD-OE2 3.49Å; R416-E494 WeakPolarHBondContact CG-OE2 3.35Å; R416-E494 IonicContact CZ-OE2 3.68Å; R416-E494 VanDerWaalsContact CZ-OE2 3.32Å; R416-E494 IonicContact NE-OE2 2.89Å; R416-E494 PolarHBondContact NE-OE2 2.93Å; R416-E494 PolarHBondContact NH1-O 3.28Å; R416-E494 IonicContact NH1-OE1 3.67Å; R416-E494 PolarHBondContact NH1-OE1 3.07Å; R416-E494 IonicContact NH1-OE2 2.71Å; R416-E494 PolarHBondContact NH1-OE2 3.28Å; R416-E494 PolarHBondContact NH2-O 3.33Å; M451-E494 VanDerWaalsContact CE-OE2 3.26Å; M451-E494 WeakPolarHBondContact CE-OE2 3.36Å; Y454-E494 HydrophobicContact CD2-CB 4.08Å; C492-E494 VanDerWaalsContact C-N 3.34Å |
| 495 | E | 70.4 | Confident | 78.5 | Confident | 102 Ų | 102 | 75.6 Ų | 75.6 | 48% | 0.477 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -160.5 | 156.4 | 176.4 | -171.6 | 159.6 | -163.2 | 0 | 0 | 108.7 | R416 Y454 P497 | R416-E495 IonicContact NH2-OE2 2.73Å; Y454-E495 HydrophobicContact CD2-CB 4.16Å; Y454-E495 HydrophobicContact CE2-CB 3.86Å; Y454-E495 WeakPolarHBondContact CE2-OE2 3.49Å; Y454-E495 PolarHBondContact OH-OE2 3.48Å; E495-P497 WeakPolarHBondContact O-CD 3.35Å |
| 496 | E | 72.3 | Confident | 78.6 | Confident | 184 Ų | 184 | 73.3 Ų | 73.3 | 86% | 0.86 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 120.4 | -178.8 | -70.6 | -172.4 | 155.2 | 0 | 0 | 111 | I498 | E496-I498 PolarHBondContact O-N 3.29Š|
| 497 | P | 72.8 | Confident | 78.8 | Confident | 58 Ų | 58 | 75.1 Ų | 75.1 | 38% | 0.377 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 132.6 | -175.7 | -16.4 | 27.5 | 0 | 0 | 0 | 112 | G490 C492 E495 | G490-P497 WeakPolarHBondContact O-CB 3.42Å; G490-P497 WeakPolarHBondContact O-CG 3.36Å; C492-P497 HydrophobicContact CB-CB 4.39Å; C492-P497 HydrophobicContact CB-CG 4.04Å; E495-P497 WeakPolarHBondContact O-CD 3.35Å |
| 498 | I | 75.6 | Confident | 79.1 | Confident | 70 Ų | 70 | 76.3 Ų | 76.3 | 36% | 0.359 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 130.8 | 166.2 | -49.2 | 174 | 0 | 0 | 0 | 107.1 | Q457 K461 E496 V500 | Q457-I498 PolarHBondContact NE2-O 3.2Å; Q457-I498 VanDerWaalsContact OE1-CB 3.23Å; K461-I498 HydrophobicContact CB-CD1 4.26Å; K461-I498 HydrophobicContact CD-CD1 4.08Å; K461-I498 HydrophobicContact CG-CD1 4.41Å; E496-I498 PolarHBondContact O-N 3.29Å; I498-V500 HydrophobicContact CB-CG2 4.15Å; I498-V500 HydrophobicContact CG2-CG2 3.95Å; I498-V500 PolarHBondContact O-N 3.1Å |
| 499 | Q | 75.4 | Confident | 79.4 | Confident | 186 Ų | 186 | 74 Ų | 74 | 87% | 0.869 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 120.2 | 167.7 | -66.1 | -166.3 | -2.4 | 0 | 0 | 108.6 | ||
| 500 | V | 80.7 | Confident | 80 | Confident | 11 Ų | 11 | 73.9 Ų | 73.9 | 7% | 0.067 | 37% | 0.374 | C | S | . | . | trans | -131.3 | 128.2 | -175.9 | 178.9 | 0 | 0 | 0 | 0 | 108 | Y460 L487 I498 V505 | Y460-V500 HydrophobicContact CD1-CG1 4.14Å; Y460-V500 HydrophobicContact CD1-CG2 3.87Å; Y460-V500 HydrophobicContact CE1-CB 4.24Å; Y460-V500 HydrophobicContact CE1-CG1 3.48Å; Y460-V500 VanDerWaalsContact CE1-CG1 3.48Å; Y460-V500 HydrophobicContact CE1-CG2 3.65Å; L487-V500 HydrophobicContact CD1-CB 4.5Å; L487-V500 HydrophobicContact CD1-CG2 4.22Å; L487-V500 HydrophobicContact CD2-CG1 4.33Å; L487-V500 HydrophobicContact CG-CB 4.39Å; L487-V500 HydrophobicContact CG-CG1 4.19Å; I498-V500 HydrophobicContact CB-CG2 4.15Å; I498-V500 HydrophobicContact CG2-CG2 3.95Å; I498-V500 PolarHBondContact O-N 3.1Å; V500-V505 HydrophobicContact CG1-CG2 3.47Å; V500-V505 VanDerWaalsContact CG1-CG2 3.47Å | ||
| 501 | T | 85.7 | Confident | 81.1 | Confident | 72 Ų | 72 | 74.3 Ų | 74.3 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | trans | -89.3 | 158.3 | 179.3 | 66.6 | 0 | 0 | 0 | 0 | 112.2 | D503 E504 V505 | T501-D503 PolarHBondContact O-N 3.48Å; T501-E504 WeakPolarHBondContact CB-OE2 3.39Å; T501-E504 WeakPolarHBondContact CG2-OE2 3.41Å; T501-E504 PolarHBondContact N-OE2 3.19Å; T501-E504 VanDerWaalsContact OG1-CG 3.25Å; T501-E504 WeakPolarHBondContact OG1-CG 3.4Å; T501-E504 PolarHBondContact OG1-N 3.06Å; T501-E504 PolarHBondContact OG1-OE2 3.42Å; T501-V505 WeakPolarHBondContact O-CG2 3.46Å; T501-V505 PolarHBondContact O-N 3.47Å | ||
| 502 | E | 86.8 | Confident | 82.3 | Confident | 39 Ų | 39 | 67 Ų | 67 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.3 | -37.1 | 175.1 | -65.7 | -170.2 | -174.9 | 0 | 0 | 112.2 | V488 L506 F537 S538 S539 | V488-E502 HydrophobicContact CG1-CG 4.19Å; V488-E502 HydrophobicContact CG2-CG 4.45Å; E502-L506 WeakPolarHBondContact O-CG 3.31Å; E502-L506 PolarHBondContact O-N 3.03Å; E502-F537 HydrophobicContact CB-CD2 3.88Å; E502-F537 HydrophobicContact CB-CE2 4.05Å; E502-F537 HydrophobicContact CB-CG 4.29Å; E502-F537 HydrophobicContact CG-CB 4.28Å; E502-F537 HydrophobicContact CG-CD1 4.05Å; E502-F537 HydrophobicContact CG-CD2 3.95Å; E502-F537 HydrophobicContact CG-CE1 4.33Å; E502-F537 HydrophobicContact CG-CE2 4.25Å; E502-F537 HydrophobicContact CG-CG 3.85Å; E502-F537 HydrophobicContact CG-CZ 4.44Å; E502-F537 WeakPolarHBondContact OE2-CB 3.35Å; E502-S538 VanDerWaalsContact CD-N 3.31Å; E502-S538 VanDerWaalsContact OE1-CB 3.26Å; E502-S538 WeakPolarHBondContact OE1-CB 3.43Å; E502-S538 PolarHBondContact OE1-N 3.2Å; E502-S538 PolarHBondContact OE1-OG 3.35Å; E502-S538 PolarHBondContact OE2-N 3.01Å; E502-S539 WeakPolarHBondContact OE2-CB 3.31Å; E502-S539 PolarHBondContact OE2-N 3.1Å; E502-S539 PolarHBondContact OE2-OG 3.23Å |
| 503 | D | 87.1 | Confident | 83.2 | Confident | 79 Ų | 79 | 66.1 Ų | 66.1 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72 | -41.4 | -176.6 | -89.8 | -62.5 | 0 | 0 | 0 | 112.9 | T501 V505 L506 D507 R542 | T501-D503 PolarHBondContact O-N 3.48Å; D503-V505 VanDerWaalsContact C-N 3.29Å; D503-V505 PolarHBondContact O-N 2.91Å; D503-L506 CarbonylContact O-C 3.56Å; D503-L506 WeakPolarHBondContact O-CA 3.36Å; D503-L506 WeakPolarHBondContact O-CB 3.13Å; D503-L506 PolarHBondContact O-N 3.4Å; D503-D507 PolarHBondContact O-N 2.91Å; D503-D507 VanDerWaalsContact O-OD2 3.12Å; D503-R542 PolarHBondContact O-NH1 3.13Å; D503-R542 VanDerWaalsContact OD1-CD 3.3Å; D503-R542 WeakPolarHBondContact OD1-CD 3.34Å; D503-R542 IonicContact OD1-CZ 3.73Å; D503-R542 IonicContact OD1-NE 3.88Å; D503-R542 IonicContact OD1-NH1 2.82Å; D503-R542 PolarHBondContact OD1-NH1 3.04Å |
| 504 | E | 88.9 | Confident | 84.4 | Confident | 90 Ų | 90 | 61.4 Ų | 61.4 | 42% | 0.421 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 177.2 | -69.4 | 160.4 | 134.2 | 0 | 0 | 111.6 | T501 L506 D507 V508 | T501-E504 WeakPolarHBondContact CB-OE2 3.39Å; T501-E504 WeakPolarHBondContact CG2-OE2 3.41Å; T501-E504 PolarHBondContact N-OE2 3.19Å; T501-E504 VanDerWaalsContact OG1-CG 3.25Å; T501-E504 WeakPolarHBondContact OG1-CG 3.4Å; T501-E504 PolarHBondContact OG1-N 3.06Å; T501-E504 PolarHBondContact OG1-OE2 3.42Å; E504-L506 VanDerWaalsContact C-N 3.29Å; E504-L506 PolarHBondContact O-N 2.94Å; E504-D507 PolarHBondContact O-N 3.27Å; E504-V508 WeakPolarHBondContact O-CG2 3.31Å; E504-V508 PolarHBondContact O-N 3.37Å |
| 505 | V | 90.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 174.7 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | Y460 I480 L487 V500 T501 D503 L509 L533 F537 | Y460-V505 HydrophobicContact CE2-CG2 3.98Å; I480-V505 HydrophobicContact CG2-CG1 3.54Å; L487-V505 HydrophobicContact CD2-CG2 3.73Å; V500-V505 HydrophobicContact CG1-CG2 3.47Å; V500-V505 VanDerWaalsContact CG1-CG2 3.47Å; T501-V505 WeakPolarHBondContact O-CG2 3.46Å; T501-V505 PolarHBondContact O-N 3.47Å; D503-V505 VanDerWaalsContact C-N 3.29Å; D503-V505 PolarHBondContact O-N 2.91Å; V505-L509 HydrophobicContact CG1-CD1 4.32Å; V505-L509 WeakPolarHBondContact O-CG 3.39Å; V505-L509 PolarHBondContact O-N 3.37Å; V505-L533 HydrophobicContact CG1-CD1 4.03Å; V505-F537 HydrophobicContact CB-CE2 4.08Å; V505-F537 HydrophobicContact CB-CZ 4.3Å; V505-F537 HydrophobicContact CG1-CE2 4.03Å; V505-F537 HydrophobicContact CG1-CZ 4.17Å; V505-F537 HydrophobicContact CG2-CZ 4.43Å |
| 506 | L | 90.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -73.2 | -38.2 | 175.6 | -67.1 | 176 | 0 | 0 | 0 | 112.2 | E502 D503 E504 V508 L509 E510 L533 R542 I543 | E502-L506 WeakPolarHBondContact O-CG 3.31Å; E502-L506 PolarHBondContact O-N 3.03Å; D503-L506 CarbonylContact O-C 3.56Å; D503-L506 WeakPolarHBondContact O-CA 3.36Å; D503-L506 WeakPolarHBondContact O-CB 3.13Å; D503-L506 PolarHBondContact O-N 3.4Å; E504-L506 VanDerWaalsContact C-N 3.29Å; E504-L506 PolarHBondContact O-N 2.94Å; L506-V508 VanDerWaalsContact C-N 3.32Å; L506-V508 PolarHBondContact O-N 3.21Å; L506-L509 PolarHBondContact O-N 2.65Å; L506-E510 VanDerWaalsContact O-CB 3.25Å; L506-E510 WeakPolarHBondContact O-CB 3.31Å; L506-E510 VanDerWaalsContact O-CG 3.25Å; L506-E510 WeakPolarHBondContact O-CG 3.46Å; L506-E510 PolarHBondContact O-N 3.02Å; L506-L533 HydrophobicContact CD2-CD1 4.01Å; L506-R542 HydrophobicContact CD1-CB 4.32Å; L506-R542 HydrophobicContact CD1-CG 4.18Å; L506-I543 HydrophobicContact CD1-CD1 4.28Å; L506-I543 HydrophobicContact CD1-CG1 3.87Å; L506-I543 HydrophobicContact CD2-CD1 4.07Å; L506-I543 HydrophobicContact CD2-CG1 3.66Å; L506-I543 HydrophobicContact CG-CG1 4.46Å |
| 507 | D | 91.3 | Very high | 87.5 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 173.1 | -76.2 | -52.9 | 0 | 0 | 0 | 111.6 | D503 E504 G511 R542 | D503-D507 PolarHBondContact O-N 2.91Å; D503-D507 VanDerWaalsContact O-OD2 3.12Å; E504-D507 PolarHBondContact O-N 3.27Å; D507-G511 PolarHBondContact O-N 2.94Å; D507-R542 IonicContact OD1-CZ 3.53Å; D507-R542 IonicContact OD1-NH1 3.48Å; D507-R542 PolarHBondContact OD1-NH1 2.96Å; D507-R542 IonicContact OD1-NH2 2.7Å; D507-R542 PolarHBondContact OD1-NH2 3.43Å; D507-R542 IonicContact OD2-NH1 3.36Å; D507-R542 PolarHBondContact OD2-NH1 2.88Å; D507-R542 IonicContact OD2-NH2 3.91Å |
| 508 | V | 91.5 | Very high | 88.4 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 15% | 0.152 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.2 | -48.7 | 176.2 | 173 | 0 | 0 | 0 | 0 | 111.5 | Y460 L463 L464 E504 L506 G511 L512 | Y460-V508 HydrophobicContact CE2-CB 4.4Å; Y460-V508 HydrophobicContact CE2-CG2 4.05Å; L463-V508 HydrophobicContact CD2-CG1 3.58Å; L463-V508 HydrophobicContact CG-CG1 3.88Å; L464-V508 HydrophobicContact CD2-CG2 3.57Å; E504-V508 WeakPolarHBondContact O-CG2 3.31Å; E504-V508 PolarHBondContact O-N 3.37Å; L506-V508 VanDerWaalsContact C-N 3.32Å; L506-V508 PolarHBondContact O-N 3.21Å; V508-G511 PolarHBondContact O-N 3.05Å; V508-L512 WeakPolarHBondContact O-CG 3.43Å; V508-L512 PolarHBondContact O-N 3.11Å |
| 509 | L | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.8 | -34.2 | -179 | -64.7 | 175.2 | 0 | 0 | 0 | 112.7 | I480 V505 L506 L512 L513 A529 I530 L533 | I480-L509 HydrophobicContact CG2-CD1 3.99Å; V505-L509 HydrophobicContact CG1-CD1 4.32Å; V505-L509 WeakPolarHBondContact O-CG 3.39Å; V505-L509 PolarHBondContact O-N 3.37Å; L506-L509 PolarHBondContact O-N 2.65Å; L509-L512 HydrophobicContact CD2-CD1 4.11Å; L509-L512 PolarHBondContact O-N 2.78Å; L509-L513 WeakPolarHBondContact O-CG 3.47Å; L509-L513 PolarHBondContact O-N 2.9Å; L509-L513 VanDerWaalsContact O-N 3.11Å; L509-A529 HydrophobicContact CD1-CB 4.32Å; L509-I530 HydrophobicContact CB-CD1 3.79Å; L509-I530 HydrophobicContact CB-CG1 3.83Å; L509-I530 HydrophobicContact CD1-CG1 3.91Å; L509-L533 HydrophobicContact CD1-CD1 3.63Å |
| 510 | E | 91.3 | Very high | 90 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 23% | 0.234 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 169.8 | -74.9 | 172.9 | -152 | 0 | 0 | 110.8 | L506 L512 L513 V514 R542 V546 | L506-E510 VanDerWaalsContact O-CB 3.25Å; L506-E510 WeakPolarHBondContact O-CB 3.31Å; L506-E510 VanDerWaalsContact O-CG 3.25Å; L506-E510 WeakPolarHBondContact O-CG 3.46Å; L506-E510 PolarHBondContact O-N 3.02Å; E510-L512 PolarHBondContact O-N 3.44Å; E510-L513 PolarHBondContact O-N 3.22Å; E510-V514 WeakPolarHBondContact O-CG2 3.43Å; E510-V514 PolarHBondContact O-N 3.29Å; E510-V514 VanDerWaalsContact O-N 3.09Å; E510-R542 IonicContact OE1-CZ 3.4Å; E510-R542 IonicContact OE1-NE 2.78Å; E510-R542 PolarHBondContact OE1-NE 3.42Å; E510-R542 IonicContact OE1-NH2 3.16Å; E510-R542 PolarHBondContact OE1-NH2 3.15Å; E510-R542 VanDerWaalsContact OE1-NH2 3.16Å; E510-R542 IonicContact OE2-CZ 3.81Å; E510-R542 IonicContact OE2-NE 3.79Å; E510-R542 IonicContact OE2-NH2 2.9Å; E510-R542 PolarHBondContact OE2-NH2 3Å; E510-V546 HydrophobicContact CG-CG1 4.14Å; E510-V546 HydrophobicContact CG-CG2 3.72Å; E510-V546 WeakPolarHBondContact OE1-CG2 3.45Å |
| 511 | G | 91.2 | Very high | 90.6 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 38% | 0.381 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D507 V508 V514 S515 | D507-G511 PolarHBondContact O-N 2.94Å; V508-G511 PolarHBondContact O-N 3.05Å; G511-V514 PolarHBondContact O-N 3.03Å; G511-S515 WeakPolarHBondContact O-CB 3.43Å; G511-S515 PolarHBondContact O-N 2.86Å |
| 512 | L | 91.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 174.4 | -71 | -177.6 | 0 | 0 | 0 | 113.1 | L463 I467 V473 V508 L509 E510 S518 | L463-L512 HydrophobicContact CD1-CD1 4.12Å; L463-L512 HydrophobicContact CD1-CD2 4.19Å; L463-L512 HydrophobicContact CD2-CD1 4.25Å; I467-L512 HydrophobicContact CB-CD2 3.92Å; I467-L512 HydrophobicContact CG2-CD2 3.83Å; V473-L512 HydrophobicContact CG1-CD1 3.46Å; V473-L512 VanDerWaalsContact CG1-CD1 3.46Å; V473-L512 HydrophobicContact CG1-CD2 3.55Å; V473-L512 HydrophobicContact CG1-CG 4.11Å; V508-L512 WeakPolarHBondContact O-CG 3.43Å; V508-L512 PolarHBondContact O-N 3.11Å; L509-L512 HydrophobicContact CD2-CD1 4.11Å; L509-L512 PolarHBondContact O-N 2.78Å; E510-L512 PolarHBondContact O-N 3.44Å; L512-S518 VanDerWaalsContact O-CB 3.28Å; L512-S518 WeakPolarHBondContact O-CB 3.27Å; L512-S518 PolarHBondContact O-OG 3.31Å |
| 513 | L | 90.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 177.1 | -78 | 178.8 | 0 | 0 | 0 | 111.6 | L509 E510 R523 L527 I530 V546 Y550 | L509-L513 WeakPolarHBondContact O-CG 3.47Å; L509-L513 PolarHBondContact O-N 2.9Å; L509-L513 VanDerWaalsContact O-N 3.11Å; E510-L513 PolarHBondContact O-N 3.22Å; L513-R523 HydrophobicContact CD2-CB 3.93Å; L513-R523 HydrophobicContact CD2-CG 4.33Å; L513-R523 WeakPolarHBondContact CD2-O 3.41Å; L513-R523 VanDerWaalsContact O-CD 3.29Å; L513-R523 WeakPolarHBondContact O-CD 3.32Å; L513-R523 PolarHBondContact O-NE 3.17Å; L513-L527 HydrophobicContact CD2-CB 4.21Å; L513-I530 HydrophobicContact CD1-CD1 3.51Å; L513-I530 HydrophobicContact CG-CD1 4.34Å; L513-V546 HydrophobicContact CD1-CG1 3.92Å; L513-Y550 VanDerWaalsContact C-OH 3.24Å; L513-Y550 HydrophobicContact CB-CE2 3.97Å; L513-Y550 HydrophobicContact CD1-CD2 4.21Å; L513-Y550 HydrophobicContact CD1-CE2 3.99Å; L513-Y550 HydrophobicContact CD2-CE1 4.31Å; L513-Y550 HydrophobicContact CG-CE2 4.45Å; L513-Y550 PolarHBondContact O-OH 3.42Å |
| 514 | V | 90.8 | Very high | 91.7 | Very high | 111 Ų | 111 | 44.9 Ų | 44.9 | 67% | 0.673 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -78.9 | -29.2 | -177.8 | 177.6 | 0 | 0 | 0 | 0 | 112.8 | E510 G511 N516 | E510-V514 WeakPolarHBondContact O-CG2 3.43Å; E510-V514 PolarHBondContact O-N 3.29Å; E510-V514 VanDerWaalsContact O-N 3.09Å; G511-V514 PolarHBondContact O-N 3.03Å; V514-N516 PolarHBondContact O-N 2.84Å |
| 515 | S | 92.8 | Very high | 92 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | trans | -58.3 | 132.6 | -177.2 | 178 | 0 | 0 | 0 | 0 | 112.7 | G511 L517 S518 R523 | G511-S515 WeakPolarHBondContact O-CB 3.43Å; G511-S515 PolarHBondContact O-N 2.86Å; S515-L517 PolarHBondContact O-N 3.02Å; S515-L517 PolarHBondContact OG-N 2.82Å; S515-S518 PolarHBondContact O-N 3.4Å; S515-R523 PolarHBondContact O-NH2 3.31Å | ||
| 516 | N | 90.7 | Very high | 92.2 | Very high | 160 Ų | 160 | 43.6 Ų | 43.6 | 86% | 0.856 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -19.8 | 174.6 | -71.7 | -30.6 | 0 | 0 | 0 | 113.3 | V514 S518 | V514-N516 PolarHBondContact O-N 2.84Å; N516-S518 VanDerWaalsContact C-N 3.32Å |
| 517 | L | 89.5 | Confident | 92.4 | Very high | 107 Ų | 107 | 43.6 Ų | 43.6 | 56% | 0.56 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -25.7 | 179.7 | -60.2 | 175.9 | 0 | 0 | 0 | 112.4 | I467 Q470 S515 | I467-L517 HydrophobicContact CG1-CD1 4.31Å; Q470-L517 PolarHBondContact NE2-O 2.97Å; S515-L517 PolarHBondContact O-N 3.02Å; S515-L517 PolarHBondContact OG-N 2.82Å |
| 518 | S | 92.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -68.1 | 132.3 | -178.5 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | L512 S515 N516 R523 | L512-S518 VanDerWaalsContact O-CB 3.28Å; L512-S518 WeakPolarHBondContact O-CB 3.27Å; L512-S518 PolarHBondContact O-OG 3.31Å; S515-S518 PolarHBondContact O-N 3.4Å; N516-S518 VanDerWaalsContact C-N 3.32Å; S518-R523 PolarHBondContact O-NH1 2.73Å; S518-R523 PolarHBondContact O-NH2 3.15Å |
| 519 | T | 92.1 | Very high | 92.8 | Very high | 50 Ų | 50 | 39.7 Ų | 39.7 | 31% | 0.307 | 23% | 0.227 | S | C | . | . | trans | -71.6 | 160.9 | 167.8 | 71 | 0 | 0 | 0 | 0 | 111 | Q470 V521 T522 R523 | Q470-T519 HydrophobicContact CB-CG2 4.49Å; Q470-T519 HydrophobicContact CG-CG2 3.93Å; T519-V521 PolarHBondContact O-N 3.46Å; T519-V521 PolarHBondContact OG1-N 3.29Å; T519-T522 PolarHBondContact O-N 3.22Å; T519-T522 PolarHBondContact OG1-N 3.38Å; T519-T522 VanDerWaalsContact OG1-N 3.13Å; T519-T522 PolarHBondContact OG1-OG1 3.27Å; T519-R523 PolarHBondContact O-N 2.65Å | ||
| 520 | P | 92.2 | Very high | 92.9 | Very high | 67 Ų | 67 | 39.7 Ų | 39.7 | 44% | 0.435 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -49.7 | -43.6 | 169 | -31.3 | 38.6 | 0 | 0 | 0 | 113.5 | T522 R523 G524 D555 | P520-T522 PolarHBondContact O-N 3.44Å; P520-R523 PolarHBondContact O-N 3.49Å; P520-G524 PolarHBondContact O-N 2.84Å; P520-D555 WeakPolarHBondContact CB-OD2 3.34Å |
| 521 | V | 92.5 | Very high | 93 | Very high | 86 Ų | 86 | 37.4 Ų | 37.4 | 52% | 0.521 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.1 | -47 | 177.9 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | T519 R523 G524 Y525 | T519-V521 PolarHBondContact O-N 3.46Å; T519-V521 PolarHBondContact OG1-N 3.29Å; V521-R523 VanDerWaalsContact C-N 3.34Å; V521-R523 PolarHBondContact O-N 3.27Å; V521-G524 WeakPolarHBondContact O-CA 3.36Å; V521-G524 PolarHBondContact O-N 2.8Å; V521-G524 VanDerWaalsContact O-N 3.08Å; V521-Y525 HydrophobicContact CG1-CD2 3.89Å; V521-Y525 HydrophobicContact CG1-CE2 3.72Å; V521-Y525 WeakPolarHBondContact O-CD2 3.24Å; V521-Y525 PolarHBondContact O-N 2.84Å |
| 522 | T | 93.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -39.6 | 176.4 | -53.3 | 0 | 0 | 0 | 0 | 112.2 | Q470 V473 Q474 T519 P520 Y525 S526 | Q470-T522 PolarHBondContact OE1-OG1 3.17Å; V473-T522 HydrophobicContact CB-CG2 3.94Å; V473-T522 HydrophobicContact CG1-CG2 3.36Å; Q474-T522 HydrophobicContact CG-CG2 4.25Å; Q474-T522 WeakPolarHBondContact CG-OG1 3.24Å; Q474-T522 PolarHBondContact NE2-OG1 3.11Å; T519-T522 PolarHBondContact O-N 3.22Å; T519-T522 PolarHBondContact OG1-N 3.38Å; T519-T522 VanDerWaalsContact OG1-N 3.13Å; T519-T522 PolarHBondContact OG1-OG1 3.27Å; P520-T522 PolarHBondContact O-N 3.44Å; T522-Y525 PolarHBondContact O-N 3.17Å; T522-S526 PolarHBondContact O-N 2.98Å; T522-S526 PolarHBondContact O-OG 2.89Å |
| 523 | R | 94.5 | Very high | 93.2 | Very high | 44 Ų | 44 | 36.4 Ų | 36.4 | 17% | 0.166 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.7 | -38.1 | 172.3 | -67.1 | -168.9 | -171.6 | 80.5 | 10.4 | 112 | L513 S515 S518 T519 P520 V521 S526 L527 L558 | L513-R523 HydrophobicContact CD2-CB 3.93Å; L513-R523 HydrophobicContact CD2-CG 4.33Å; L513-R523 WeakPolarHBondContact CD2-O 3.41Å; L513-R523 VanDerWaalsContact O-CD 3.29Å; L513-R523 WeakPolarHBondContact O-CD 3.32Å; L513-R523 PolarHBondContact O-NE 3.17Å; S515-R523 PolarHBondContact O-NH2 3.31Å; S518-R523 PolarHBondContact O-NH1 2.73Å; S518-R523 PolarHBondContact O-NH2 3.15Å; T519-R523 PolarHBondContact O-N 2.65Å; P520-R523 PolarHBondContact O-N 3.49Å; V521-R523 VanDerWaalsContact C-N 3.34Å; V521-R523 PolarHBondContact O-N 3.27Å; R523-S526 PolarHBondContact O-N 3.01Å; R523-L527 WeakPolarHBondContact O-CB 3.39Å; R523-L527 PolarHBondContact O-N 2.83Å; R523-L558 HydrophobicContact CB-CD1 3.67Å; R523-L558 HydrophobicContact CB-CD2 3.94Å; R523-L558 HydrophobicContact CB-CG 4.48Å; R523-L558 HydrophobicContact CG-CD1 4.41Å |
| 524 | G | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -47.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | P520 V521 S526 L527 T528 L558 R561 | P520-G524 PolarHBondContact O-N 2.84Å; V521-G524 WeakPolarHBondContact O-CA 3.36Å; V521-G524 PolarHBondContact O-N 2.8Å; V521-G524 VanDerWaalsContact O-N 3.08Å; G524-S526 VanDerWaalsContact C-N 3.34Å; G524-S526 PolarHBondContact O-N 3.07Å; G524-L527 PolarHBondContact O-N 3.19Å; G524-T528 WeakPolarHBondContact O-CB 3.35Å; G524-T528 PolarHBondContact O-N 3.46Å; G524-T528 PolarHBondContact O-OG1 2.73Å; G524-L558 VanDerWaalsContact N-CD2 3.35Å; G524-R561 VanDerWaalsContact C-NH1 3.26Å; G524-R561 PolarHBondContact O-NH1 2.9Å |
| 525 | Y | 95.2 | Very high | 93.1 | Very high | 63 Ų | 63 | 33 Ų | 33 | 25% | 0.247 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.7 | -46.3 | 171.7 | -84.2 | -78.4 | 0 | 0 | 0 | 111.9 | I442 Q474 W478 V521 T522 T528 A529 | I442-Y525 HydrophobicContact CD1-CE1 4.36Å; Q474-Y525 HydrophobicContact CB-CD2 4.06Å; Q474-Y525 HydrophobicContact CB-CE2 4.23Å; Q474-Y525 HydrophobicContact CG-CD2 3.89Å; Q474-Y525 HydrophobicContact CG-CE2 4.23Å; W478-Y525 HydrophobicContact CB-CD1 3.89Å; W478-Y525 HydrophobicContact CB-CE1 4.06Å; W478-Y525 AromaticContact CD1-CE1 3.75Å; W478-Y525 HydrophobicContact CG-CD1 4.37Å; W478-Y525 HydrophobicContact CG-CE1 4.23Å; V521-Y525 HydrophobicContact CG1-CD2 3.89Å; V521-Y525 HydrophobicContact CG1-CE2 3.72Å; V521-Y525 WeakPolarHBondContact O-CD2 3.24Å; V521-Y525 PolarHBondContact O-N 2.84Å; T522-Y525 PolarHBondContact O-N 3.17Å; Y525-T528 PolarHBondContact O-N 2.85Å; Y525-A529 VanDerWaalsContact O-CB 3.32Å; Y525-A529 WeakPolarHBondContact O-CB 3.22Å; Y525-A529 PolarHBondContact O-N 3.15Å |
| 526 | S | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 179.5 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | T522 R523 G524 A529 I530 | T522-S526 PolarHBondContact O-N 2.98Å; T522-S526 PolarHBondContact O-OG 2.89Å; R523-S526 PolarHBondContact O-N 3.01Å; G524-S526 VanDerWaalsContact C-N 3.34Å; G524-S526 PolarHBondContact O-N 3.07Å; S526-A529 WeakPolarHBondContact O-CB 3.27Å; S526-A529 PolarHBondContact O-N 2.84Å; S526-I530 WeakPolarHBondContact O-CB 3.43Å; S526-I530 WeakPolarHBondContact O-CG1 3.47Å; S526-I530 PolarHBondContact O-N 3.02Å |
| 527 | L | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.3 | -39.7 | 179.2 | -177 | 61.6 | 0 | 0 | 0 | 112 | L513 R523 G524 M531 V547 R561 A562 Y565 | L513-L527 HydrophobicContact CD2-CB 4.21Å; R523-L527 WeakPolarHBondContact O-CB 3.39Å; R523-L527 PolarHBondContact O-N 2.83Å; G524-L527 PolarHBondContact O-N 3.19Å; L527-M531 PolarHBondContact O-N 2.66Å; L527-V547 HydrophobicContact CD1-CG2 4.14Å; L527-R561 HydrophobicContact CD2-CB 3.81Å; L527-A562 HydrophobicContact CD2-CB 4.15Å; L527-Y565 HydrophobicContact CG-CD2 4.34Å; L527-Y565 HydrophobicContact CG-CE2 4.22Å |
| 528 | T | 95.7 | Very high | 92.2 | Very high | 28 Ų | 28 | 27.6 Ų | 27.6 | 17% | 0.172 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.7 | -33.5 | 174 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | G524 Y525 M531 K532 R561 Y565 | G524-T528 WeakPolarHBondContact O-CB 3.35Å; G524-T528 PolarHBondContact O-N 3.46Å; G524-T528 PolarHBondContact O-OG1 2.73Å; Y525-T528 PolarHBondContact O-N 2.85Å; T528-M531 PolarHBondContact O-N 2.98Å; T528-K532 WeakPolarHBondContact O-CG 3.36Å; T528-K532 PolarHBondContact O-N 2.88Å; T528-R561 PolarHBondContact OG1-NH1 2.88Å; T528-Y565 PolarHBondContact OG1-OH 3.2Å |
| 529 | A | 95.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.6 | -50.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S477 L509 Y525 S526 M531 K532 L533 | S477-A529 WeakPolarHBondContact O-CB 3.17Å; L509-A529 HydrophobicContact CD1-CB 4.32Å; Y525-A529 VanDerWaalsContact O-CB 3.32Å; Y525-A529 WeakPolarHBondContact O-CB 3.22Å; Y525-A529 PolarHBondContact O-N 3.15Å; S526-A529 WeakPolarHBondContact O-CB 3.27Å; S526-A529 PolarHBondContact O-N 2.84Å; A529-M531 PolarHBondContact O-N 2.58Å; A529-K532 PolarHBondContact O-N 2.85Å; A529-L533 WeakPolarHBondContact O-CG 3.27Å; A529-L533 PolarHBondContact O-N 2.88Å |
| 530 | I | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -52.6 | -40.9 | 172.4 | -75.3 | 163.8 | 0 | 0 | 0 | 111.3 | L509 L513 S526 L533 S534 I543 V546 V547 | L509-I530 HydrophobicContact CB-CD1 3.79Å; L509-I530 HydrophobicContact CB-CG1 3.83Å; L509-I530 HydrophobicContact CD1-CG1 3.91Å; L513-I530 HydrophobicContact CD1-CD1 3.51Å; L513-I530 HydrophobicContact CG-CD1 4.34Å; S526-I530 WeakPolarHBondContact O-CB 3.43Å; S526-I530 WeakPolarHBondContact O-CG1 3.47Å; S526-I530 PolarHBondContact O-N 3.02Å; I530-L533 PolarHBondContact O-N 2.83Å; I530-S534 PolarHBondContact O-N 3.29Å; I530-I543 HydrophobicContact CG2-CB 4.39Å; I530-I543 HydrophobicContact CG2-CG1 4.39Å; I530-I543 HydrophobicContact CG2-CG2 3.67Å; I530-I543 WeakPolarHBondContact O-CG2 3.35Å; I530-V546 HydrophobicContact CD1-CG1 4.29Å; I530-V547 HydrophobicContact CG2-CG2 4.06Å |
| 531 | M | 94.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.3 | -46 | 175.8 | -174.1 | 56.3 | 172.8 | 0 | 0 | 112.6 | L527 T528 A529 L533 S534 Y565 L568 F569 R576 L580 | L527-M531 PolarHBondContact O-N 2.66Å; T528-M531 PolarHBondContact O-N 2.98Å; A529-M531 PolarHBondContact O-N 2.58Å; M531-L533 VanDerWaalsContact C-N 3.35Å; M531-L533 PolarHBondContact O-N 2.95Å; M531-S534 VanDerWaalsContact O-CB 3.24Å; M531-S534 WeakPolarHBondContact O-CB 3.27Å; M531-S534 PolarHBondContact O-N 3.04Å; M531-S534 VanDerWaalsContact O-N 3.11Å; M531-S534 PolarHBondContact O-OG 2.83Å; M531-Y565 HydrophobicContact CB-CD2 3.55Å; M531-Y565 HydrophobicContact CB-CE2 3.56Å; M531-Y565 HydrophobicContact CB-CG 4.07Å; M531-Y565 HydrophobicContact CE-CD1 4.08Å; M531-Y565 HydrophobicContact CE-CG 4.08Å; M531-Y565 HydrophobicContact CG-CD1 3.82Å; M531-Y565 HydrophobicContact CG-CD2 3.68Å; M531-Y565 HydrophobicContact CG-CE1 4.06Å; M531-Y565 HydrophobicContact CG-CE2 3.91Å; M531-Y565 HydrophobicContact CG-CG 3.63Å; M531-Y565 HydrophobicContact SD-CD1 4.3Å; M531-Y565 HydrophobicContact SD-CD2 4.2Å; M531-Y565 HydrophobicContact SD-CG 3.82Å; M531-L568 HydrophobicContact CE-CB 3.97Å; M531-L568 HydrophobicContact CE-CD1 3.55Å; M531-L568 HydrophobicContact CE-CG 4.41Å; M531-F569 HydrophobicContact CE-CE2 4.22Å; M531-F569 HydrophobicContact CE-CZ 4.46Å; M531-F569 HydrophobicContact SD-CD2 4.33Å; M531-F569 HydrophobicContact SD-CE2 3.42Å; M531-F569 WeakPolarHBondContact SD-CE2 2.88Å; M531-F569 HydrophobicContact SD-CZ 3.63Å; M531-R576 HydrophobicContact CE-CG 4.1Å; M531-L580 HydrophobicContact CE-CD1 4.19Å; M531-L580 HydrophobicContact CG-CD1 4.08Å; M531-L580 HydrophobicContact CG-CD2 4.12Å; M531-L580 VanDerWaalsContact O-CD1 3.3Å; M531-L580 WeakPolarHBondContact O-CD1 3.46Å; M531-L580 HydrophobicContact SD-CD1 4.41Å |
| 532 | K | 93.7 | Very high | 90.2 | Very high | 18 Ų | 18 | 29.8 Ų | 29.8 | 8% | 0.078 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62 | -40.5 | 176 | -68.5 | 176 | -175.2 | 179.5 | 0 | 112.3 | G481 E482 T528 A529 S534 T535 R536 L580 | G481-K532 WeakPolarHBondContact O-CB 3.38Å; E482-K532 WeakPolarHBondContact OE1-CE 3.4Å; E482-K532 IonicContact OE1-NZ 2.79Å; E482-K532 PolarHBondContact OE1-NZ 2.94Å; T528-K532 WeakPolarHBondContact O-CG 3.36Å; T528-K532 PolarHBondContact O-N 2.88Å; A529-K532 PolarHBondContact O-N 2.85Å; K532-S534 PolarHBondContact O-N 3.22Å; K532-S534 VanDerWaalsContact O-N 3.12Å; K532-T535 PolarHBondContact O-N 3.38Å; K532-R536 PolarHBondContact O-N 3.4Å; K532-L580 HydrophobicContact CG-CD2 4.23Å |
| 533 | L | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.3 | -28.2 | 174.5 | -70 | 179.9 | 0 | 0 | 0 | 112.2 | I480 V505 L506 L509 A529 I530 M531 T535 R536 F537 I543 | I480-L533 HydrophobicContact CG2-CD1 4.25Å; I480-L533 WeakPolarHBondContact O-CD2 3.43Å; V505-L533 HydrophobicContact CG1-CD1 4.03Å; L506-L533 HydrophobicContact CD2-CD1 4.01Å; L509-L533 HydrophobicContact CD1-CD1 3.63Å; A529-L533 WeakPolarHBondContact O-CG 3.27Å; A529-L533 PolarHBondContact O-N 2.88Å; I530-L533 PolarHBondContact O-N 2.83Å; M531-L533 VanDerWaalsContact C-N 3.35Å; M531-L533 PolarHBondContact O-N 2.95Å; L533-T535 PolarHBondContact O-N 2.7Å; L533-R536 PolarHBondContact O-N 3.13Å; L533-F537 HydrophobicContact CB-CD2 4.12Å; L533-F537 HydrophobicContact CB-CG 4.42Å; L533-F537 HydrophobicContact CD1-CD2 4.18Å; L533-F537 HydrophobicContact CD1-CE2 3.84Å; L533-F537 HydrophobicContact CD1-CZ 4.46Å; L533-F537 HydrophobicContact CD2-CD1 4.2Å; L533-F537 HydrophobicContact CD2-CD2 4.05Å; L533-F537 HydrophobicContact CD2-CE1 3.95Å; L533-F537 HydrophobicContact CD2-CE2 3.78Å; L533-F537 HydrophobicContact CD2-CG 4.25Å; L533-F537 HydrophobicContact CD2-CZ 3.72Å; L533-F537 HydrophobicContact CG-CD2 4.34Å; L533-F537 HydrophobicContact CG-CE2 4.26Å; L533-F537 WeakPolarHBondContact O-CB 3.49Å; L533-F537 PolarHBondContact O-N 3.13Å; L533-I543 HydrophobicContact CB-CD1 4.02Å |
| 534 | S | 91.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.6 | -13.6 | 175.3 | 82.4 | 0 | 0 | 0 | 0 | 115.5 | I530 M531 K532 F569 R576 | I530-S534 PolarHBondContact O-N 3.29Å; M531-S534 VanDerWaalsContact O-CB 3.24Å; M531-S534 WeakPolarHBondContact O-CB 3.27Å; M531-S534 PolarHBondContact O-N 3.04Å; M531-S534 VanDerWaalsContact O-N 3.11Å; M531-S534 PolarHBondContact O-OG 2.83Å; K532-S534 PolarHBondContact O-N 3.22Å; K532-S534 VanDerWaalsContact O-N 3.12Å; S534-F569 VanDerWaalsContact CB-CZ 3.49Å; S534-R576 PolarHBondContact O-NH1 3.13Å; S534-R576 PolarHBondContact OG-NH1 3.46Å |
| 535 | T | 89.9 | Confident | 89.8 | Confident | 37 Ų | 37 | 38.2 Ų | 38.2 | 23% | 0.227 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -102.9 | -22.8 | 172.5 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | K532 L533 R576 P577 L580 | K532-T535 PolarHBondContact O-N 3.38Å; L533-T535 PolarHBondContact O-N 2.7Å; T535-R576 PolarHBondContact OG1-O 3.4Å; T535-P577 HydrophobicContact CG2-CB 4.18Å; T535-L580 WeakPolarHBondContact OG1-CD1 3.34Å |
| 536 | R | 87.4 | Confident | 89.6 | Confident | 54 Ų | 54 | 35.8 Ų | 35.8 | 20% | 0.204 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -98.6 | -23.6 | -175.7 | -53.5 | -60.1 | 169 | -175.3 | -5.1 | 114 | D485 K532 L533 L580 E581 R582 | D485-R536 HydrophobicContact CB-CB 4.37Å; K532-R536 PolarHBondContact O-N 3.4Å; L533-R536 PolarHBondContact O-N 3.13Å; R536-L580 PolarHBondContact NH2-O 3.45Å; R536-E581 IonicContact CZ-OE1 2.77Å; R536-E581 IonicContact NH1-OE1 2.77Å; R536-E581 PolarHBondContact NH1-OE1 3.1Å; R536-E581 IonicContact NH2-OE1 3.21Å; R536-E581 PolarHBondContact NH2-OE1 3.25Å; R536-R582 VanDerWaalsContact NH2-N 3.2Å |
| 537 | F | 87.4 | Confident | 89.4 | Confident | 13 Ų | 13 | 35.8 Ų | 35.8 | 6% | 0.057 | 19% | 0.185 | C | C | . | . | trans | -113.6 | 158.7 | -176.2 | -77.4 | -0.1 | 0 | 0 | 0 | 112.8 | G484 V488 E502 V505 L533 | G484-F537 WeakPolarHBondContact O-CE1 3.47Å; V488-F537 HydrophobicContact CB-CE1 4.18Å; V488-F537 HydrophobicContact CG2-CE1 3.51Å; V488-F537 HydrophobicContact CG2-CZ 3.48Å; V488-F537 VanDerWaalsContact CG2-CZ 3.48Å; E502-F537 HydrophobicContact CB-CD2 3.88Å; E502-F537 HydrophobicContact CB-CE2 4.05Å; E502-F537 HydrophobicContact CB-CG 4.29Å; E502-F537 HydrophobicContact CG-CB 4.28Å; E502-F537 HydrophobicContact CG-CD1 4.05Å; E502-F537 HydrophobicContact CG-CD2 3.95Å; E502-F537 HydrophobicContact CG-CE1 4.33Å; E502-F537 HydrophobicContact CG-CE2 4.25Å; E502-F537 HydrophobicContact CG-CG 3.85Å; E502-F537 HydrophobicContact CG-CZ 4.44Å; E502-F537 WeakPolarHBondContact OE2-CB 3.35Å; V505-F537 HydrophobicContact CB-CE2 4.08Å; V505-F537 HydrophobicContact CB-CZ 4.3Å; V505-F537 HydrophobicContact CG1-CE2 4.03Å; V505-F537 HydrophobicContact CG1-CZ 4.17Å; V505-F537 HydrophobicContact CG2-CZ 4.43Å; L533-F537 HydrophobicContact CB-CD2 4.12Å; L533-F537 HydrophobicContact CB-CG 4.42Å; L533-F537 HydrophobicContact CD1-CD2 4.18Å; L533-F537 HydrophobicContact CD1-CE2 3.84Å; L533-F537 HydrophobicContact CD1-CZ 4.46Å; L533-F537 HydrophobicContact CD2-CD1 4.2Å; L533-F537 HydrophobicContact CD2-CD2 4.05Å; L533-F537 HydrophobicContact CD2-CE1 3.95Å; L533-F537 HydrophobicContact CD2-CE2 3.78Å; L533-F537 HydrophobicContact CD2-CG 4.25Å; L533-F537 HydrophobicContact CD2-CZ 3.72Å; L533-F537 HydrophobicContact CG-CD2 4.34Å; L533-F537 HydrophobicContact CG-CE2 4.26Å; L533-F537 WeakPolarHBondContact O-CB 3.49Å; L533-F537 PolarHBondContact O-N 3.13Å | ||
| 538 | S | 78.2 | Confident | 89.3 | Confident | 106 Ų | 106 | 38.2 Ų | 38.2 | 74% | 0.741 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -78.4 | -32.1 | 178.2 | -41.1 | 0 | 0 | 0 | 0 | 112.5 | E502 V540 | E502-S538 VanDerWaalsContact CD-N 3.31Å; E502-S538 VanDerWaalsContact OE1-CB 3.26Å; E502-S538 WeakPolarHBondContact OE1-CB 3.43Å; E502-S538 PolarHBondContact OE1-N 3.2Å; E502-S538 PolarHBondContact OE1-OG 3.35Å; E502-S538 PolarHBondContact OE2-N 3.01Å; S538-V540 PolarHBondContact O-N 3.26Å |
| 539 | S | 76.9 | Confident | 89.2 | Confident | 24 Ų | 24 | 42 Ų | 42 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | trans | -72.3 | 27.3 | -171.1 | 48.6 | 0 | 0 | 0 | 0 | 116.5 | E502 N541 R542 | E502-S539 WeakPolarHBondContact OE2-CB 3.31Å; E502-S539 PolarHBondContact OE2-N 3.1Å; E502-S539 PolarHBondContact OE2-OG 3.23Å; S539-N541 PolarHBondContact O-N 3.46Å; S539-R542 PolarHBondContact O-N 3.32Å | ||
| 540 | V | 78.2 | Confident | 89 | Confident | 31 Ų | 31 | 43.7 Ų | 43.7 | 19% | 0.188 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -48.7 | -34.5 | -171.5 | -174.6 | 0 | 0 | 0 | 0 | 114.8 | S538 R542 I543 K544 F569 | S538-V540 PolarHBondContact O-N 3.26Å; V540-R542 PolarHBondContact O-N 3.46Å; V540-I543 PolarHBondContact O-N 3.47Å; V540-K544 WeakPolarHBondContact O-CB 3.49Å; V540-K544 PolarHBondContact O-N 3.17Å; V540-F569 HydrophobicContact CG1-CE1 3.95Å |
| 541 | N | 84.6 | Confident | 88.9 | Confident | 138 Ų | 138 | 44.5 Ų | 44.5 | 74% | 0.738 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -66 | -32.7 | -178.6 | -73.3 | -38.6 | 0 | 0 | 0 | 113.7 | S539 K545 | S539-N541 PolarHBondContact O-N 3.46Å; N541-K545 PolarHBondContact O-N 2.79Å |
| 542 | R | 88.3 | Confident | 88.9 | Confident | 61 Ų | 61 | 49.3 Ų | 49.3 | 23% | 0.23 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.7 | -52.4 | 175.5 | 179.7 | 175.7 | 174 | 166.5 | 6.7 | 109.8 | D503 L506 D507 E510 S539 V540 K544 K545 V546 | D503-R542 PolarHBondContact O-NH1 3.13Å; D503-R542 VanDerWaalsContact OD1-CD 3.3Å; D503-R542 WeakPolarHBondContact OD1-CD 3.34Å; D503-R542 IonicContact OD1-CZ 3.73Å; D503-R542 IonicContact OD1-NE 3.88Å; D503-R542 IonicContact OD1-NH1 2.82Å; D503-R542 PolarHBondContact OD1-NH1 3.04Å; L506-R542 HydrophobicContact CD1-CB 4.32Å; L506-R542 HydrophobicContact CD1-CG 4.18Å; D507-R542 IonicContact OD1-CZ 3.53Å; D507-R542 IonicContact OD1-NH1 3.48Å; D507-R542 PolarHBondContact OD1-NH1 2.96Å; D507-R542 IonicContact OD1-NH2 2.7Å; D507-R542 PolarHBondContact OD1-NH2 3.43Å; D507-R542 IonicContact OD2-NH1 3.36Å; D507-R542 PolarHBondContact OD2-NH1 2.88Å; D507-R542 IonicContact OD2-NH2 3.91Å; E510-R542 IonicContact OE1-CZ 3.4Å; E510-R542 IonicContact OE1-NE 2.78Å; E510-R542 PolarHBondContact OE1-NE 3.42Å; E510-R542 IonicContact OE1-NH2 3.16Å; E510-R542 PolarHBondContact OE1-NH2 3.15Å; E510-R542 VanDerWaalsContact OE1-NH2 3.16Å; E510-R542 IonicContact OE2-CZ 3.81Å; E510-R542 IonicContact OE2-NE 3.79Å; E510-R542 IonicContact OE2-NH2 2.9Å; E510-R542 PolarHBondContact OE2-NH2 3Å; S539-R542 PolarHBondContact O-N 3.32Å; V540-R542 PolarHBondContact O-N 3.46Å; R542-K544 VanDerWaalsContact C-N 3.3Å; R542-K544 PolarHBondContact O-N 3.19Å; R542-K545 VanDerWaalsContact O-CB 3.31Å; R542-K545 WeakPolarHBondContact O-CB 3.49Å; R542-K545 PolarHBondContact O-N 3.42Å; R542-V546 PolarHBondContact O-N 2.99Å |
| 543 | I | 89.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -51.1 | -47.2 | 176.4 | -68.5 | 167.3 | 0 | 0 | 0 | 112 | L506 I530 L533 V540 K545 V546 V547 F569 | L506-I543 HydrophobicContact CD1-CD1 4.28Å; L506-I543 HydrophobicContact CD1-CG1 3.87Å; L506-I543 HydrophobicContact CD2-CD1 4.07Å; L506-I543 HydrophobicContact CD2-CG1 3.66Å; L506-I543 HydrophobicContact CG-CG1 4.46Å; I530-I543 HydrophobicContact CG2-CB 4.39Å; I530-I543 HydrophobicContact CG2-CG1 4.39Å; I530-I543 HydrophobicContact CG2-CG2 3.67Å; I530-I543 WeakPolarHBondContact O-CG2 3.35Å; L533-I543 HydrophobicContact CB-CD1 4.02Å; V540-I543 PolarHBondContact O-N 3.47Å; I543-K545 VanDerWaalsContact C-N 3.26Å; I543-K545 PolarHBondContact O-N 2.88Å; I543-V546 PolarHBondContact O-N 3.07Å; I543-V546 VanDerWaalsContact O-N 3.14Å; I543-V547 HydrophobicContact CG2-CG2 4.45Å; I543-V547 PolarHBondContact O-N 3.36Å; I543-F569 HydrophobicContact CG2-CE2 4.27Å; I543-F569 HydrophobicContact CG2-CZ 3.72Å |
| 544 | K | 90.9 | Very high | 89 | Confident | 64 Ų | 64 | 58 Ų | 58 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.5 | -32.2 | 179 | -176.2 | 162.6 | 177.1 | 164.7 | 0 | 113.3 | V540 R542 S548 F569 D573 | V540-K544 WeakPolarHBondContact O-CB 3.49Å; V540-K544 PolarHBondContact O-N 3.17Å; R542-K544 VanDerWaalsContact C-N 3.3Å; R542-K544 PolarHBondContact O-N 3.19Å; K544-S548 WeakPolarHBondContact O-CB 3.46Å; K544-S548 PolarHBondContact O-N 3.41Å; K544-F569 HydrophobicContact CB-CD1 4.21Å; K544-F569 HydrophobicContact CB-CE1 4.47Å; K544-F569 HydrophobicContact CB-CG 4.31Å; K544-F569 HydrophobicContact CD-CB 3.95Å; K544-F569 HydrophobicContact CD-CD1 4.02Å; K544-F569 HydrophobicContact CD-CG 4.17Å; K544-F569 WeakPolarHBondContact CE-O 3.27Å; K544-F569 HydrophobicContact CG-CB 3.94Å; K544-F569 HydrophobicContact CG-CD1 4.18Å; K544-F569 HydrophobicContact CG-CG 4Å; K544-F569 PolarHBondContact NZ-O 3.19Å; K544-D573 IonicContact NZ-OD2 3.14Å; K544-D573 PolarHBondContact NZ-OD2 2.83Å; K544-D573 VanDerWaalsContact NZ-OD2 3.14Å |
| 545 | K | 91.5 | Very high | 89.1 | Confident | 158 Ų | 158 | 60 Ų | 60 | 69% | 0.687 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -70 | -47.5 | 173.5 | -176.6 | -170.8 | 172.3 | -165.5 | 0 | 111.3 | N541 R542 I543 S548 I549 | N541-K545 PolarHBondContact O-N 2.79Å; R542-K545 VanDerWaalsContact O-CB 3.31Å; R542-K545 WeakPolarHBondContact O-CB 3.49Å; R542-K545 PolarHBondContact O-N 3.42Å; I543-K545 VanDerWaalsContact C-N 3.26Å; I543-K545 PolarHBondContact O-N 2.88Å; K545-S548 PolarHBondContact O-N 3.2Å; K545-I549 PolarHBondContact O-N 3.1Å; K545-I549 VanDerWaalsContact O-N 3.13Å |
| 546 | V | 91 | Very high | 89.4 | Confident | 11 Ų | 11 | 63.7 Ų | 63.7 | 7% | 0.067 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.4 | -48.8 | 179.6 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | E510 L513 I530 R542 I543 S548 I549 Y550 | E510-V546 HydrophobicContact CG-CG1 4.14Å; E510-V546 HydrophobicContact CG-CG2 3.72Å; E510-V546 WeakPolarHBondContact OE1-CG2 3.45Å; L513-V546 HydrophobicContact CD1-CG1 3.92Å; I530-V546 HydrophobicContact CD1-CG1 4.29Å; R542-V546 PolarHBondContact O-N 2.99Å; I543-V546 PolarHBondContact O-N 3.07Å; I543-V546 VanDerWaalsContact O-N 3.14Å; V546-S548 VanDerWaalsContact C-N 3.28Å; V546-S548 PolarHBondContact O-N 2.82Å; V546-I549 WeakPolarHBondContact O-CG1 3.39Å; V546-I549 PolarHBondContact O-N 3.25Å; V546-Y550 PolarHBondContact O-N 3.26Å |
| 547 | V | 93 | Very high | 89.8 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.7 | -36.6 | 177.5 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | L527 I530 I543 I549 Y550 N566 F569 | L527-V547 HydrophobicContact CD1-CG2 4.14Å; I530-V547 HydrophobicContact CG2-CG2 4.06Å; I543-V547 HydrophobicContact CG2-CG2 4.45Å; I543-V547 PolarHBondContact O-N 3.36Å; V547-I549 PolarHBondContact O-N 3.43Å; V547-Y550 PolarHBondContact O-N 2.82Å; V547-N566 HydrophobicContact CG1-CB 4.22Å; V547-F569 HydrophobicContact CB-CD2 4.39Å; V547-F569 HydrophobicContact CB-CE2 4.16Å; V547-F569 HydrophobicContact CG1-CD2 4.14Å; V547-F569 HydrophobicContact CG1-CE2 4.17Å; V547-F569 HydrophobicContact CG2-CE2 4.04Å |
| 548 | S | 92.8 | Very high | 90.1 | Very high | 51 Ų | 51 | 64.9 Ų | 64.9 | 36% | 0.357 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -74.8 | -18.8 | 179.2 | -165.7 | 0 | 0 | 0 | 0 | 115.1 | K544 K545 V546 N566 | K544-S548 WeakPolarHBondContact O-CB 3.46Å; K544-S548 PolarHBondContact O-N 3.41Å; K545-S548 PolarHBondContact O-N 3.2Å; V546-S548 VanDerWaalsContact C-N 3.28Å; V546-S548 PolarHBondContact O-N 2.82Å; S548-N566 WeakPolarHBondContact CA-ND2 3.46Å; S548-N566 WeakPolarHBondContact CB-ND2 3.46Å; S548-N566 PolarHBondContact OG-ND2 3.21Å |
| 549 | I | 92.2 | Very high | 91 | Very high | 107 Ų | 107 | 63.5 Ų | 63.5 | 55% | 0.549 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -84.8 | -29.8 | 171.6 | 59.5 | 169.6 | 0 | 0 | 0 | 112.3 | K545 V546 V547 G551 S552 | K545-I549 PolarHBondContact O-N 3.1Å; K545-I549 VanDerWaalsContact O-N 3.13Å; V546-I549 WeakPolarHBondContact O-CG1 3.39Å; V546-I549 PolarHBondContact O-N 3.25Å; V547-I549 PolarHBondContact O-N 3.43Å; I549-G551 PolarHBondContact O-N 3.07Å; I549-S552 PolarHBondContact O-OG 3.31Å |
| 550 | Y | 92.4 | Very high | 91.9 | Very high | 40 Ų | 40 | 67.4 Ų | 67.4 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.1 | -11.5 | 175.9 | -96.1 | -93.3 | 0 | 0 | 0 | 114.4 | L513 V546 V547 S552 S553 | L513-Y550 VanDerWaalsContact C-OH 3.24Å; L513-Y550 HydrophobicContact CB-CE2 3.97Å; L513-Y550 HydrophobicContact CD1-CD2 4.21Å; L513-Y550 HydrophobicContact CD1-CE2 3.99Å; L513-Y550 HydrophobicContact CD2-CE1 4.31Å; L513-Y550 HydrophobicContact CG-CE2 4.45Å; L513-Y550 PolarHBondContact O-OH 3.42Å; V546-Y550 PolarHBondContact O-N 3.26Å; V547-Y550 PolarHBondContact O-N 2.82Å; Y550-S552 PolarHBondContact O-N 3.47Å; Y550-S552 VanDerWaalsContact O-N 3.1Å; Y550-S553 VanDerWaalsContact O-CB 3.26Å; Y550-S553 WeakPolarHBondContact O-CB 3.44Å; Y550-S553 PolarHBondContact O-N 2.95Å |
| 551 | G | 91.5 | Very high | 92.7 | Very high | 17 Ų | 17 | 69 Ų | 69 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -9.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I549 Q559 | I549-G551 PolarHBondContact O-N 3.07Å; G551-Q559 PolarHBondContact O-NE2 3.18Å; G551-Q559 VanDerWaalsContact O-NE2 3.09Å |
| 552 | S | 93.4 | Very high | 93.2 | Very high | 101 Ų | 101 | 62.4 Ų | 62.4 | 71% | 0.706 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | 30 | 170.1 | 60.9 | 0 | 0 | 0 | 0 | 112.9 | I549 Y550 | I549-S552 PolarHBondContact O-OG 3.31Å; Y550-S552 PolarHBondContact O-N 3.47Å; Y550-S552 VanDerWaalsContact O-N 3.1Å |
| 553 | S | 94.1 | Very high | 93.6 | Very high | 21 Ų | 21 | 63 Ų | 63 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | trans | -58.6 | 147.6 | 167.7 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | Y550 D555 | Y550-S553 VanDerWaalsContact O-CB 3.26Å; Y550-S553 WeakPolarHBondContact O-CB 3.44Å; Y550-S553 PolarHBondContact O-N 2.95Å; S553-D555 VanDerWaalsContact C-N 3.33Å; S553-D555 WeakPolarHBondContact OG-CB 3.22Å; S553-D555 PolarHBondContact OG-N 3.46Å; S553-D555 PolarHBondContact OG-O 3.24Å | ||
| 554 | I | 93.6 | Very high | 93.9 | Very high | 179 Ų | 179 | 67.7 Ų | 67.7 | 92% | 0.918 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -78 | -20.7 | 168.8 | 61 | 172.7 | 0 | 0 | 0 | 112.7 | ||
| 555 | D | 95 | Very high | 94.1 | Very high | 46 Ų | 46 | 66.2 Ų | 66.2 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -82.7 | 121.6 | 175.1 | -172.3 | -61.4 | 0 | 0 | 0 | 109.4 | P520 S553 E557 L558 Q559 | P520-D555 WeakPolarHBondContact CB-OD2 3.34Å; S553-D555 VanDerWaalsContact C-N 3.33Å; S553-D555 WeakPolarHBondContact OG-CB 3.22Å; S553-D555 PolarHBondContact OG-N 3.46Å; S553-D555 PolarHBondContact OG-O 3.24Å; D555-E557 VanDerWaalsContact C-N 3.29Å; D555-E557 PolarHBondContact O-N 2.9Å; D555-E557 WeakPolarHBondContact OD1-CB 3.37Å; D555-E557 PolarHBondContact OD1-N 2.86Å; D555-L558 HydrophobicContact CB-CB 4.16Å; D555-L558 HydrophobicContact CB-CD1 3.93Å; D555-L558 HydrophobicContact CB-CG 3.95Å; D555-L558 PolarHBondContact O-N 3.38Å; D555-L558 PolarHBondContact OD1-N 3.43Å; D555-Q559 VanDerWaalsContact O-CB 3.24Å; D555-Q559 WeakPolarHBondContact O-CB 3.42Å; D555-Q559 PolarHBondContact O-N 3.36Å |
| 556 | V | 95.3 | Very high | 94.2 | Very high | 116 Ų | 116 | 59.5 Ų | 59.5 | 70% | 0.703 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.2 | -36.1 | -175.3 | -177.5 | 0 | 0 | 0 | 0 | 112 | Q560 | V556-Q560 VanDerWaalsContact O-CB 3.31Å; V556-Q560 WeakPolarHBondContact O-CB 3.43Å; V556-Q560 PolarHBondContact O-N 3.28Å |
| 557 | E | 95.6 | Very high | 94.3 | Very high | 87 Ų | 87 | 61 Ų | 61 | 41% | 0.407 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -73.3 | -48.6 | -176.4 | -150.9 | -72.2 | 154.2 | 0 | 0 | 109.9 | D555 Q559 Q560 R561 | D555-E557 VanDerWaalsContact C-N 3.29Å; D555-E557 PolarHBondContact O-N 2.9Å; D555-E557 WeakPolarHBondContact OD1-CB 3.37Å; D555-E557 PolarHBondContact OD1-N 2.86Å; E557-Q559 VanDerWaalsContact C-N 3.33Å; E557-Q559 PolarHBondContact O-N 2.95Å; E557-Q560 PolarHBondContact O-N 3.48Å; E557-R561 VanDerWaalsContact CD-NH2 3.28Å; E557-R561 PolarHBondContact O-N 3Å; E557-R561 IonicContact OE1-CZ 2.69Å; E557-R561 IonicContact OE1-NE 3.88Å; E557-R561 PolarHBondContact OE1-NE 3.42Å; E557-R561 IonicContact OE1-NH2 3.76Å; E557-R561 PolarHBondContact OE1-NH2 3.24Å; E557-R561 IonicContact OE2-CZ 2.63Å; E557-R561 VanDerWaalsContact OE2-CZ 3.29Å; E557-R561 IonicContact OE2-NE 3.95Å; E557-R561 PolarHBondContact OE2-NE 3Å; E557-R561 IonicContact OE2-NH2 3.72Å; E557-R561 PolarHBondContact OE2-NH2 3.33Å |
| 558 | L | 94.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 175.5 | -54.2 | -177.4 | 0 | 0 | 0 | 111.8 | R523 G524 D555 A562 | R523-L558 HydrophobicContact CB-CD1 3.67Å; R523-L558 HydrophobicContact CB-CD2 3.94Å; R523-L558 HydrophobicContact CB-CG 4.48Å; R523-L558 HydrophobicContact CG-CD1 4.41Å; G524-L558 VanDerWaalsContact N-CD2 3.35Å; D555-L558 HydrophobicContact CB-CB 4.16Å; D555-L558 HydrophobicContact CB-CD1 3.93Å; D555-L558 HydrophobicContact CB-CG 3.95Å; D555-L558 PolarHBondContact O-N 3.38Å; D555-L558 PolarHBondContact OD1-N 3.43Å; L558-A562 WeakPolarHBondContact O-CB 3.37Å; L558-A562 PolarHBondContact O-N 2.89Å |
| 559 | Q | 95.6 | Very high | 94.2 | Very high | 77 Ų | 77 | 60.1 Ų | 60.1 | 36% | 0.36 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.4 | -48 | 175.6 | 179.2 | 167.4 | 53.8 | 0 | 0 | 111 | G551 D555 E557 A562 V563 | G551-Q559 PolarHBondContact O-NE2 3.18Å; G551-Q559 VanDerWaalsContact O-NE2 3.09Å; D555-Q559 VanDerWaalsContact O-CB 3.24Å; D555-Q559 WeakPolarHBondContact O-CB 3.42Å; D555-Q559 PolarHBondContact O-N 3.36Å; E557-Q559 VanDerWaalsContact C-N 3.33Å; E557-Q559 PolarHBondContact O-N 2.95Å; Q559-A562 PolarHBondContact O-N 2.86Å; Q559-V563 HydrophobicContact CG-CG2 4.32Å; Q559-V563 WeakPolarHBondContact O-CB 3.32Å; Q559-V563 VanDerWaalsContact O-CG2 3.32Å; Q559-V563 WeakPolarHBondContact O-CG2 3.39Å; Q559-V563 PolarHBondContact O-N 2.71Å |
| 560 | Q | 96.1 | Very high | 94.1 | Very high | 106 Ų | 106 | 61.3 Ų | 61.3 | 50% | 0.495 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60 | -51.6 | 179.4 | -173.7 | 64.8 | 22.1 | 0 | 0 | 110.9 | V556 E557 A562 V563 E564 | V556-Q560 VanDerWaalsContact O-CB 3.31Å; V556-Q560 WeakPolarHBondContact O-CB 3.43Å; V556-Q560 PolarHBondContact O-N 3.28Å; E557-Q560 PolarHBondContact O-N 3.48Å; Q560-A562 VanDerWaalsContact C-N 3.34Å; Q560-A562 PolarHBondContact O-N 3.19Å; Q560-V563 PolarHBondContact O-N 3.47Å; Q560-E564 PolarHBondContact NE2-OE1 3.31Å; Q560-E564 WeakPolarHBondContact O-CG 3.5Å; Q560-E564 PolarHBondContact O-N 2.84Å |
| 561 | R | 95.9 | Very high | 94 | Very high | 65 Ų | 65 | 66.7 Ų | 66.7 | 25% | 0.245 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -54.3 | -49.2 | 175.2 | -71.6 | -170.5 | -166.2 | -168.3 | 12.5 | 111.5 | G524 L527 T528 E557 V563 E564 Y565 | G524-R561 VanDerWaalsContact C-NH1 3.26Å; G524-R561 PolarHBondContact O-NH1 2.9Å; L527-R561 HydrophobicContact CD2-CB 3.81Å; T528-R561 PolarHBondContact OG1-NH1 2.88Å; E557-R561 VanDerWaalsContact CD-NH2 3.28Å; E557-R561 PolarHBondContact O-N 3Å; E557-R561 IonicContact OE1-CZ 2.69Å; E557-R561 IonicContact OE1-NE 3.88Å; E557-R561 PolarHBondContact OE1-NE 3.42Å; E557-R561 IonicContact OE1-NH2 3.76Å; E557-R561 PolarHBondContact OE1-NH2 3.24Å; E557-R561 IonicContact OE2-CZ 2.63Å; E557-R561 VanDerWaalsContact OE2-CZ 3.29Å; E557-R561 IonicContact OE2-NE 3.95Å; E557-R561 PolarHBondContact OE2-NE 3Å; E557-R561 IonicContact OE2-NH2 3.72Å; E557-R561 PolarHBondContact OE2-NH2 3.33Å; R561-V563 PolarHBondContact O-N 2.99Å; R561-E564 PolarHBondContact O-N 2.95Å; R561-Y565 HydrophobicContact CB-CD2 4.42Å; R561-Y565 HydrophobicContact CB-CE2 3.98Å; R561-Y565 VanDerWaalsContact O-CB 3.28Å; R561-Y565 WeakPolarHBondContact O-CB 3.41Å; R561-Y565 WeakPolarHBondContact O-CD1 3.35Å; R561-Y565 WeakPolarHBondContact O-CD2 3.35Å; R561-Y565 PolarHBondContact O-N 2.96Å |
| 562 | A | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.6 | -38.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L527 L558 Q559 Q560 N566 | L527-A562 HydrophobicContact CD2-CB 4.15Å; L558-A562 WeakPolarHBondContact O-CB 3.37Å; L558-A562 PolarHBondContact O-N 2.89Å; Q559-A562 PolarHBondContact O-N 2.86Å; Q560-A562 VanDerWaalsContact C-N 3.34Å; Q560-A562 PolarHBondContact O-N 3.19Å; A562-N566 WeakPolarHBondContact O-CB 3.33Å; A562-N566 PolarHBondContact O-N 3.34Å |
| 563 | V | 96 | Very high | 93.7 | Very high | 74 Ų | 74 | 69 Ų | 69 | 45% | 0.448 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68 | -44.4 | 176.6 | 170 | 0 | 0 | 0 | 0 | 111.4 | Q559 Q560 R561 N566 A567 | Q559-V563 HydrophobicContact CG-CG2 4.32Å; Q559-V563 WeakPolarHBondContact O-CB 3.32Å; Q559-V563 VanDerWaalsContact O-CG2 3.32Å; Q559-V563 WeakPolarHBondContact O-CG2 3.39Å; Q559-V563 PolarHBondContact O-N 2.71Å; Q560-V563 PolarHBondContact O-N 3.47Å; R561-V563 PolarHBondContact O-N 2.99Å; V563-N566 PolarHBondContact O-N 3.47Å; V563-A567 PolarHBondContact O-N 2.88Å |
| 564 | E | 95.1 | Very high | 93.4 | Very high | 97 Ų | 97 | 75 Ų | 75 | 45% | 0.453 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.6 | -48.5 | 176.3 | -72 | 176.3 | -179.1 | 0 | 0 | 112 | Q560 R561 N566 A567 L568 | Q560-E564 PolarHBondContact NE2-OE1 3.31Å; Q560-E564 WeakPolarHBondContact O-CG 3.5Å; Q560-E564 PolarHBondContact O-N 2.84Å; R561-E564 PolarHBondContact O-N 2.95Å; E564-N566 VanDerWaalsContact C-N 3.33Å; E564-N566 PolarHBondContact O-N 2.94Å; E564-A567 WeakPolarHBondContact O-CB 3.08Å; E564-A567 PolarHBondContact O-N 3.03Å; E564-A567 VanDerWaalsContact O-N 3.12Å; E564-L568 PolarHBondContact O-N 3.03Å |
| 565 | Y | 95.3 | Very high | 93.2 | Very high | 33 Ų | 33 | 70.6 Ų | 70.6 | 13% | 0.129 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 177.9 | -62.6 | -9.4 | 0 | 0 | 0 | 111.3 | L527 T528 M531 R561 A567 L568 F569 | L527-Y565 HydrophobicContact CG-CD2 4.34Å; L527-Y565 HydrophobicContact CG-CE2 4.22Å; T528-Y565 PolarHBondContact OG1-OH 3.2Å; M531-Y565 HydrophobicContact CB-CD2 3.55Å; M531-Y565 HydrophobicContact CB-CE2 3.56Å; M531-Y565 HydrophobicContact CB-CG 4.07Å; M531-Y565 HydrophobicContact CE-CD1 4.08Å; M531-Y565 HydrophobicContact CE-CG 4.08Å; M531-Y565 HydrophobicContact CG-CD1 3.82Å; M531-Y565 HydrophobicContact CG-CD2 3.68Å; M531-Y565 HydrophobicContact CG-CE1 4.06Å; M531-Y565 HydrophobicContact CG-CE2 3.91Å; M531-Y565 HydrophobicContact CG-CG 3.63Å; M531-Y565 HydrophobicContact SD-CD1 4.3Å; M531-Y565 HydrophobicContact SD-CD2 4.2Å; M531-Y565 HydrophobicContact SD-CG 3.82Å; R561-Y565 HydrophobicContact CB-CD2 4.42Å; R561-Y565 HydrophobicContact CB-CE2 3.98Å; R561-Y565 VanDerWaalsContact O-CB 3.28Å; R561-Y565 WeakPolarHBondContact O-CB 3.41Å; R561-Y565 WeakPolarHBondContact O-CD1 3.35Å; R561-Y565 WeakPolarHBondContact O-CD2 3.35Å; R561-Y565 PolarHBondContact O-N 2.96Å; Y565-A567 VanDerWaalsContact C-N 3.33Å; Y565-A567 PolarHBondContact O-N 2.68Å; Y565-L568 WeakPolarHBondContact O-CB 3.37Å; Y565-L568 PolarHBondContact O-N 3.32Å; Y565-F569 WeakPolarHBondContact O-CD2 3.31Å; Y565-F569 PolarHBondContact O-N 3.03Å |
| 566 | N | 94.3 | Very high | 92.9 | Very high | 17 Ų | 17 | 69.4 Ų | 69.4 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.8 | -31.8 | 174.5 | -163.7 | 0.2 | 0 | 0 | 0 | 112.3 | V547 S548 A562 V563 E564 F569 K570 | V547-N566 HydrophobicContact CG1-CB 4.22Å; S548-N566 WeakPolarHBondContact CA-ND2 3.46Å; S548-N566 WeakPolarHBondContact CB-ND2 3.46Å; S548-N566 PolarHBondContact OG-ND2 3.21Å; A562-N566 WeakPolarHBondContact O-CB 3.33Å; A562-N566 PolarHBondContact O-N 3.34Å; V563-N566 PolarHBondContact O-N 3.47Å; E564-N566 VanDerWaalsContact C-N 3.33Å; E564-N566 PolarHBondContact O-N 2.94Å; N566-F569 PolarHBondContact O-N 3.47Å; N566-K570 VanDerWaalsContact CG-NZ 3.32Å; N566-K570 PolarHBondContact ND2-NZ 3.35Å; N566-K570 VanDerWaalsContact O-CB 3.31Å; N566-K570 WeakPolarHBondContact O-CB 3.46Å; N566-K570 VanDerWaalsContact O-CG 3.31Å; N566-K570 WeakPolarHBondContact O-CG 3.23Å; N566-K570 PolarHBondContact O-N 2.86Å; N566-K570 VanDerWaalsContact OD1-CD 3.3Å; N566-K570 WeakPolarHBondContact OD1-CD 3.38Å; N566-K570 WeakPolarHBondContact OD1-CE 3.42Å; N566-K570 PolarHBondContact OD1-NZ 2.82Å |
| 567 | A | 93.8 | Very high | 92.5 | Very high | 44 Ų | 44 | 67.1 Ų | 67.1 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V563 E564 Y565 K570 K571 | V563-A567 PolarHBondContact O-N 2.88Å; E564-A567 WeakPolarHBondContact O-CB 3.08Å; E564-A567 PolarHBondContact O-N 3.03Å; E564-A567 VanDerWaalsContact O-N 3.12Å; Y565-A567 VanDerWaalsContact C-N 3.33Å; Y565-A567 PolarHBondContact O-N 2.68Å; A567-K570 PolarHBondContact O-N 3.15Å; A567-K570 VanDerWaalsContact O-N 3.17Å; A567-K571 PolarHBondContact O-N 3.3Å |
| 568 | L | 92.7 | Very high | 92.1 | Very high | 32 Ų | 32 | 67.3 Ų | 67.3 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.1 | -50.3 | 171.4 | -68 | 171.5 | 0 | 0 | 0 | 110.9 | M531 E564 Y565 K570 Y572 D573 R576 L579 | M531-L568 HydrophobicContact CE-CB 3.97Å; M531-L568 HydrophobicContact CE-CD1 3.55Å; M531-L568 HydrophobicContact CE-CG 4.41Å; E564-L568 PolarHBondContact O-N 3.03Å; Y565-L568 WeakPolarHBondContact O-CB 3.37Å; Y565-L568 PolarHBondContact O-N 3.32Å; L568-K570 PolarHBondContact O-N 3.15Å; L568-K570 VanDerWaalsContact O-N 3.14Å; L568-Y572 CarbonylContact O-C 3.55Å; L568-Y572 WeakPolarHBondContact O-CA 3.49Å; L568-Y572 PolarHBondContact O-N 2.96Å; L568-D573 PolarHBondContact O-N 3.49Å; L568-D573 VanDerWaalsContact O-N 3.08Å; L568-R576 HydrophobicContact CB-CG 4.11Å; L568-L579 HydrophobicContact CD1-CD1 4.02Å; L568-L579 HydrophobicContact CD1-CD2 3.93Å; L568-L579 HydrophobicContact CD2-CD2 3.81Å |
| 569 | F | 90.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.1 | -14.3 | 174.8 | -75.1 | -59.7 | 0 | 0 | 0 | 115.4 | M531 S534 V540 I543 K544 V547 Y565 N566 D573 | M531-F569 HydrophobicContact CE-CE2 4.22Å; M531-F569 HydrophobicContact CE-CZ 4.46Å; M531-F569 HydrophobicContact SD-CD2 4.33Å; M531-F569 HydrophobicContact SD-CE2 3.42Å; M531-F569 WeakPolarHBondContact SD-CE2 2.88Å; M531-F569 HydrophobicContact SD-CZ 3.63Å; S534-F569 VanDerWaalsContact CB-CZ 3.49Å; V540-F569 HydrophobicContact CG1-CE1 3.95Å; I543-F569 HydrophobicContact CG2-CE2 4.27Å; I543-F569 HydrophobicContact CG2-CZ 3.72Å; K544-F569 HydrophobicContact CB-CD1 4.21Å; K544-F569 HydrophobicContact CB-CE1 4.47Å; K544-F569 HydrophobicContact CB-CG 4.31Å; K544-F569 HydrophobicContact CD-CB 3.95Å; K544-F569 HydrophobicContact CD-CD1 4.02Å; K544-F569 HydrophobicContact CD-CG 4.17Å; K544-F569 WeakPolarHBondContact CE-O 3.27Å; K544-F569 HydrophobicContact CG-CB 3.94Å; K544-F569 HydrophobicContact CG-CD1 4.18Å; K544-F569 HydrophobicContact CG-CG 4Å; K544-F569 PolarHBondContact NZ-O 3.19Å; V547-F569 HydrophobicContact CB-CD2 4.39Å; V547-F569 HydrophobicContact CB-CE2 4.16Å; V547-F569 HydrophobicContact CG1-CD2 4.14Å; V547-F569 HydrophobicContact CG1-CE2 4.17Å; V547-F569 HydrophobicContact CG2-CE2 4.04Å; Y565-F569 WeakPolarHBondContact O-CD2 3.31Å; Y565-F569 PolarHBondContact O-N 3.03Å; N566-F569 PolarHBondContact O-N 3.47Å; F569-D573 VanDerWaalsContact O-OD2 3.04Å |
| 570 | K | 89.3 | Confident | 91.6 | Very high | 132 Ų | 132 | 68.2 Ų | 68.2 | 57% | 0.574 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -105.6 | -24.4 | -178.3 | -79.5 | 171 | 174 | 157.1 | 0 | 114.2 | N566 A567 L568 | N566-K570 VanDerWaalsContact CG-NZ 3.32Å; N566-K570 PolarHBondContact ND2-NZ 3.35Å; N566-K570 VanDerWaalsContact O-CB 3.31Å; N566-K570 WeakPolarHBondContact O-CB 3.46Å; N566-K570 VanDerWaalsContact O-CG 3.31Å; N566-K570 WeakPolarHBondContact O-CG 3.23Å; N566-K570 PolarHBondContact O-N 2.86Å; N566-K570 VanDerWaalsContact OD1-CD 3.3Å; N566-K570 WeakPolarHBondContact OD1-CD 3.38Å; N566-K570 WeakPolarHBondContact OD1-CE 3.42Å; N566-K570 PolarHBondContact OD1-NZ 2.82Å; A567-K570 PolarHBondContact O-N 3.15Å; A567-K570 VanDerWaalsContact O-N 3.17Å; L568-K570 PolarHBondContact O-N 3.15Å; L568-K570 VanDerWaalsContact O-N 3.14Å |
| 571 | K | 90.4 | Very high | 91.3 | Very high | 152 Ų | 152 | 68.6 Ų | 68.6 | 66% | 0.661 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -130.4 | -26.9 | -173.5 | -66.7 | -177.6 | 177.7 | -178.7 | 0 | 114.3 | A567 | A567-K571 PolarHBondContact O-N 3.3Å |
| 572 | Y | 91.9 | Very high | 91 | Very high | 110 Ų | 110 | 69.7 Ų | 69.7 | 43% | 0.431 | 35% | 0.352 | S | S | . | . | trans | -135 | 37 | -164.9 | -55 | -68.9 | 0 | 0 | 0 | 112.1 | L568 H574 M575 | L568-Y572 CarbonylContact O-C 3.55Å; L568-Y572 WeakPolarHBondContact O-CA 3.49Å; L568-Y572 PolarHBondContact O-N 2.96Å; Y572-H574 PolarHBondContact O-N 3.4Å; Y572-H574 VanDerWaalsContact O-N 3.11Å; Y572-M575 HydrophobicContact CD1-SD 3.69Å; Y572-M575 HydrophobicContact CG-SD 3.95Å; Y572-M575 WeakPolarHBondContact O-CB 3.31Å; Y572-M575 PolarHBondContact O-N 2.78Å | ||
| 573 | D | 86.8 | Confident | 90.6 | Very high | 56 Ų | 56 | 74.7 Ų | 74.7 | 30% | 0.299 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -53.7 | -34.5 | -178.7 | -101.6 | -46 | 0 | 0 | 0 | 112.2 | K544 L568 F569 M575 R576 | K544-D573 IonicContact NZ-OD2 3.14Å; K544-D573 PolarHBondContact NZ-OD2 2.83Å; K544-D573 VanDerWaalsContact NZ-OD2 3.14Å; L568-D573 PolarHBondContact O-N 3.49Å; L568-D573 VanDerWaalsContact O-N 3.08Å; F569-D573 VanDerWaalsContact O-OD2 3.04Å; D573-M575 VanDerWaalsContact C-N 3.31Å; D573-M575 PolarHBondContact O-N 2.87Å; D573-R576 PolarHBondContact O-N 3.2Å; D573-R576 IonicContact OD1-CZ 3.62Å; D573-R576 IonicContact OD1-NE 2.72Å; D573-R576 PolarHBondContact OD1-NE 3.12Å; D573-R576 IonicContact OD1-NH2 3.93Å; D573-R576 PolarHBondContact OD1-NH2 2.68Å |
| 574 | H | 88.2 | Confident | 90.1 | Very high | 148 Ų | 148 | 76.3 Ų | 76.3 | 69% | 0.685 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -71.7 | -16.5 | 176.7 | 63 | -92.3 | 0 | 0 | 0 | 114.7 | Y572 | Y572-H574 PolarHBondContact O-N 3.4Å; Y572-H574 VanDerWaalsContact O-N 3.11Å |
| 575 | M | 90.1 | Very high | 89.6 | Confident | 86 Ų | 86 | 76.3 Ų | 76.3 | 42% | 0.424 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -87.2 | -20.4 | 176.8 | -60.4 | -177.1 | 67.2 | 0 | 0 | 112.4 | Y572 D573 A578 L579 | Y572-M575 HydrophobicContact CD1-SD 3.69Å; Y572-M575 HydrophobicContact CG-SD 3.95Å; Y572-M575 WeakPolarHBondContact O-CB 3.31Å; Y572-M575 PolarHBondContact O-N 2.78Å; D573-M575 VanDerWaalsContact C-N 3.31Å; D573-M575 PolarHBondContact O-N 2.87Å; M575-A578 PolarHBondContact O-N 3.02Å; M575-A578 VanDerWaalsContact O-N 3.1Å; M575-L579 HydrophobicContact CB-CD2 4.13Å; M575-L579 WeakPolarHBondContact O-CD2 3.25Å; M575-L579 PolarHBondContact O-N 3.13Å |
| 576 | R | 87.3 | Confident | 88.7 | Confident | 21 Ų | 21 | 80.2 Ų | 80.2 | 8% | 0.079 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -54.9 | -41.3 | -177.2 | -69.5 | -168.9 | -66 | 93.8 | 4.5 | 113.7 | M531 S534 T535 L568 D573 A578 L580 | M531-R576 HydrophobicContact CE-CG 4.1Å; S534-R576 PolarHBondContact O-NH1 3.13Å; S534-R576 PolarHBondContact OG-NH1 3.46Å; T535-R576 PolarHBondContact OG1-O 3.4Å; L568-R576 HydrophobicContact CB-CG 4.11Å; D573-R576 PolarHBondContact O-N 3.2Å; D573-R576 IonicContact OD1-CZ 3.62Å; D573-R576 IonicContact OD1-NE 2.72Å; D573-R576 PolarHBondContact OD1-NE 3.12Å; D573-R576 IonicContact OD1-NH2 3.93Å; D573-R576 PolarHBondContact OD1-NH2 2.68Å; R576-A578 PolarHBondContact O-N 3Å; R576-L580 HydrophobicContact CB-CD1 4.19Å; R576-L580 VanDerWaalsContact O-CB 3.24Å; R576-L580 WeakPolarHBondContact O-CB 3.18Å; R576-L580 VanDerWaalsContact O-CG 3.3Å; R576-L580 WeakPolarHBondContact O-CG 3.47Å; R576-L580 PolarHBondContact O-N 3.28Å; R576-L580 VanDerWaalsContact O-N 3.07Å |
| 577 | P | 87.1 | Confident | 87.3 | Confident | 68 Ų | 68 | 88 Ų | 88 | 44% | 0.442 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 176.2 | -24 | 36 | 0 | 0 | 0 | 113.4 | T535 L579 | T535-P577 HydrophobicContact CG2-CB 4.18Å; P577-L579 PolarHBondContact O-N 2.75Å |
| 578 | A | 86.6 | Confident | 85.6 | Confident | 91 Ų | 91 | 92.2 Ų | 92.2 | 75% | 0.752 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -73.2 | -25.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | M575 R576 | M575-A578 PolarHBondContact O-N 3.02Å; M575-A578 VanDerWaalsContact O-N 3.1Å; R576-A578 PolarHBondContact O-N 3Å |
| 579 | L | 90.3 | Very high | 83.4 | Confident | 80 Ų | 80 | 97.1 Ų | 97.1 | 42% | 0.419 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -101.8 | -14 | 179.9 | 74.4 | 94.6 | 0 | 0 | 0 | 114.2 | L568 M575 P577 | L568-L579 HydrophobicContact CD1-CD1 4.02Å; L568-L579 HydrophobicContact CD1-CD2 3.93Å; L568-L579 HydrophobicContact CD2-CD2 3.81Å; M575-L579 HydrophobicContact CB-CD2 4.13Å; M575-L579 WeakPolarHBondContact O-CD2 3.25Å; M575-L579 PolarHBondContact O-N 3.13Å; P577-L579 PolarHBondContact O-N 2.75Å |
| 580 | L | 91.3 | Very high | 80.8 | Confident | 21 Ų | 21 | 100.6 Ų | 100.6 | 11% | 0.11 | 52% | 0.518 | C | S | . | . | S | Bend | trans | -107.4 | 25.6 | 176.9 | -59 | 169.9 | 0 | 0 | 0 | 112.1 | M531 K532 T535 R536 R576 | M531-L580 HydrophobicContact CE-CD1 4.19Å; M531-L580 HydrophobicContact CG-CD1 4.08Å; M531-L580 HydrophobicContact CG-CD2 4.12Å; M531-L580 VanDerWaalsContact O-CD1 3.3Å; M531-L580 WeakPolarHBondContact O-CD1 3.46Å; M531-L580 HydrophobicContact SD-CD1 4.41Å; K532-L580 HydrophobicContact CG-CD2 4.23Å; T535-L580 WeakPolarHBondContact OG1-CD1 3.34Å; R536-L580 PolarHBondContact NH2-O 3.45Å; R576-L580 HydrophobicContact CB-CD1 4.19Å; R576-L580 VanDerWaalsContact O-CB 3.24Å; R576-L580 WeakPolarHBondContact O-CB 3.18Å; R576-L580 VanDerWaalsContact O-CG 3.3Å; R576-L580 WeakPolarHBondContact O-CG 3.47Å; R576-L580 PolarHBondContact O-N 3.28Å; R576-L580 VanDerWaalsContact O-N 3.07Å |
| 581 | E | 89.5 | Confident | 78.3 | Confident | 113 Ų | 113 | 99.4 Ų | 99.4 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -66.7 | 155.8 | 171.8 | -163.2 | 50.4 | -86.2 | 0 | 0 | 110.7 | R536 M583 | R536-E581 IonicContact CZ-OE1 2.77Å; R536-E581 IonicContact NH1-OE1 2.77Å; R536-E581 PolarHBondContact NH1-OE1 3.1Å; R536-E581 IonicContact NH2-OE1 3.21Å; R536-E581 PolarHBondContact NH2-OE1 3.25Å; E581-M583 PolarHBondContact O-N 3Å |
| 582 | R | 88.6 | Confident | 75.2 | Confident | 89 Ų | 89 | 99.8 Ų | 99.8 | 34% | 0.336 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 137.9 | -174.1 | -73.9 | -170.8 | 173.6 | 139.9 | 1.4 | 111.7 | E482 D485 R536 | E482-R582 PolarHBondContact O-NE 3.46Å; E482-R582 VanDerWaalsContact OE2-CA 3.27Å; E482-R582 WeakPolarHBondContact OE2-CA 3.38Å; D485-R582 IonicContact OD1-CZ 2.93Å; D485-R582 IonicContact OD1-NH2 3.76Å; D485-R582 PolarHBondContact OD1-NH2 2.88Å; D485-R582 IonicContact OD2-CZ 3.2Å; D485-R582 IonicContact OD2-NH2 2.79Å; D485-R582 PolarHBondContact OD2-NH2 3.34Å; R536-R582 VanDerWaalsContact NH2-N 3.2Å |
| 583 | M | 87.4 | Confident | 72.2 | Confident | 104 Ų | 104 | 96.9 Ų | 96.9 | 51% | 0.512 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -64 | 140.6 | -175.4 | -74.1 | -71.9 | 166.8 | 0 | 0 | 112 | E482 E581 | E482-M583 WeakPolarHBondContact OE1-CG 3.43Å; E482-M583 PolarHBondContact OE2-N 2.94Å; E581-M583 PolarHBondContact O-N 3Å |
| 584 | P | 86.6 | Confident | 69.4 | Low | 108 Ų | 108 | 100.1 Ų | 100.1 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 143.4 | 175.8 | -25.6 | 34.8 | 0 | 0 | 0 | 112.9 | M586 | P584-M586 PolarHBondContact O-N 3.37Š|
| 585 | I | 83.9 | Confident | 66.6 | Low | 98 Ų | 98 | 98.8 Ų | 98.8 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 124.4 | 178 | -55.5 | 174.3 | 0 | 0 | 0 | 109.1 | T446 N447 V449 E587 | T446-I585 HydrophobicContact CG2-CB 4.46Å; T446-I585 HydrophobicContact CG2-CG1 4.18Å; T446-I585 HydrophobicContact CG2-CG2 4.45Å; N447-I585 WeakPolarHBondContact OD1-CG2 3.37Å; V449-I585 HydrophobicContact CG2-CD1 4.49Å; I585-E587 PolarHBondContact O-N 2.88Å |
| 586 | M | 75.3 | Confident | 63.6 | Low | 115 Ų | 115 | 102 Ų | 102 | 57% | 0.567 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 119.9 | 179.3 | -57.6 | 175.3 | 74.8 | 0 | 0 | 110.2 | Q443 N447 P584 | Q443-M586 HydrophobicContact CG-CB 4.21Å; Q443-M586 PolarHBondContact NE2-O 2.92Å; N447-M586 PolarHBondContact ND2-O 3.44Å; P584-M586 PolarHBondContact O-N 3.37Å |
| 587 | E | 65.5 | Low | 60.8 | Low | 180 Ų | 180 | 108.1 Ų | 108.1 | 84% | 0.841 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 145.3 | 171.8 | -68.7 | -169.4 | 169 | 0 | 0 | 111.1 | Q443 I585 T589 | Q443-E587 PolarHBondContact NE2-O 3.46Å; I585-E587 PolarHBondContact O-N 2.88Å; E587-T589 PolarHBondContact O-N 2.86Å |
| 588 | K | 58.5 | Low | 57.8 | Low | 132 Ų | 132 | 109.8 Ų | 109.8 | 57% | 0.574 | 62% | 0.621 | S | S | * | * | trans | -69.6 | 112.6 | 177.1 | -85.6 | -171.7 | 165.1 | -113.6 | 0 | 110.5 | E409 A590 | E409-K588 IonicContact OE1-NZ 2.71Å; E409-K588 PolarHBondContact OE1-NZ 3.41Å; K588-A590 PolarHBondContact O-N 3.33Å | ||
| 589 | T | 47 | Very low | 55.2 | Low | 135 Ų | 135 | 113 Ų | 113 | 83% | 0.828 | 62% | 0.62 | S | S | * | * | trans | -63.4 | 97.5 | 163.3 | -45.3 | 0 | 0 | 0 | 0 | 108.5 | E587 S591 | E587-T589 PolarHBondContact O-N 2.86Å; T589-S591 PolarHBondContact O-N 2.92Å | ||
| 590 | A | 36.1 | Very low | 52.2 | Low | 73 Ų | 73 | 114.8 Ų | 114.8 | 60% | 0.603 | 63% | 0.634 | S | S | * | * | trans | -69.8 | 97.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111 | K588 N592 | K588-A590 PolarHBondContact O-N 3.33Å; A590-N592 PolarHBondContact O-N 3.44Å | ||
| 591 | S | 35.4 | Very low | 49.3 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 75% | 0.748 | 67% | 0.672 | S | S | * | * | trans | -70.3 | 73.2 | 172.3 | 58 | 0 | 0 | 0 | 0 | 110.8 | T589 G593 | T589-S591 PolarHBondContact O-N 2.92Å; S591-G593 VanDerWaalsContact C-N 3.29Å; S591-G593 PolarHBondContact O-N 2.93Å | ||
| 592 | N | 26.5 | Very low | 46.6 | Very low | 161 Ų | 161 | 120.1 Ų | 120.1 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | trans | -72.6 | 79.6 | 179.1 | -82.5 | -17.8 | 0 | 0 | 0 | 111.3 | A590 | A590-N592 PolarHBondContact O-N 3.44Š| ||
| 593 | G | 27.8 | Very low | 43.7 | Very low | 48 Ų | 48 | 125.2 Ų | 125.2 | 50% | 0.495 | 71% | 0.712 | S | S | . | * | S | Bend | trans | 177.3 | 148.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S591 T595 | S591-G593 VanDerWaalsContact C-N 3.29Å; S591-G593 PolarHBondContact O-N 2.93Å; G593-T595 PolarHBondContact O-N 3.35Å; G593-T595 VanDerWaalsContact O-N 3.16Å |
| 594 | P | 28.3 | Very low | 40.8 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | trans | -69.3 | 108.9 | 167.1 | 29.6 | -31.2 | 0 | 0 | 0 | 108.5 | E596 | P594-E596 VanDerWaalsContact C-N 3.32Å; P594-E596 PolarHBondContact O-N 2.91Å | ||
| 595 | T | 29.4 | Very low | 37.8 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | trans | -67.9 | 91.5 | 167.8 | 24.3 | 0 | 0 | 0 | 0 | 109.3 | G593 I597 | G593-T595 PolarHBondContact O-N 3.35Å; G593-T595 VanDerWaalsContact O-N 3.16Å; T595-I597 PolarHBondContact O-N 2.87Å | ||
| 596 | E | 26.7 | Very low | 35.2 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | -57 | 124.6 | 160.9 | -69.7 | -162.4 | 134.4 | 0 | 0 | 108.4 | P594 V598 | P594-E596 VanDerWaalsContact C-N 3.32Å; P594-E596 PolarHBondContact O-N 2.91Å; E596-V598 HydrophobicContact CB-CG2 4.22Å; E596-V598 PolarHBondContact O-N 3.32Å | ||
| 597 | I | 28.4 | Very low | 32.8 | Very low | 150 Ų | 150 | 131.8 Ų | 131.8 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -77.1 | 75.1 | 177.2 | -54.4 | 174.7 | 0 | 0 | 0 | 108 | T595 Q599 | T595-I597 PolarHBondContact O-N 2.87Å; I597-Q599 HydrophobicContact CG2-CG 4.34Å; I597-Q599 PolarHBondContact O-N 3.07Å; I597-Q599 VanDerWaalsContact O-N 3.12Å | ||
| 598 | V | 25.6 | Very low | 30.8 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 62% | 0.624 | 76% | 0.762 | S | S | * | * | trans | -74.4 | 97.8 | 168.8 | -175.9 | 0 | 0 | 0 | 0 | 107.3 | E596 T600 | E596-V598 HydrophobicContact CB-CG2 4.22Å; E596-V598 PolarHBondContact O-N 3.32Å; V598-T600 VanDerWaalsContact C-N 3.31Å; V598-T600 HydrophobicContact CG1-CG2 4.29Å; V598-T600 PolarHBondContact O-N 3.09Å | ||
| 599 | Q | 30.3 | Very low | 29.4 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | -67 | 89.5 | 169.9 | -72 | -177.1 | -22 | 0 | 0 | 109.9 | I597 | I597-Q599 HydrophobicContact CG2-CG 4.34Å; I597-Q599 PolarHBondContact O-N 3.07Å; I597-Q599 VanDerWaalsContact O-N 3.12Å | ||
| 600 | T | 28.6 | Very low | 28.4 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -86 | 140.4 | 157.5 | 42.5 | 0 | 0 | 0 | 0 | 109.6 | V598 | V598-T600 VanDerWaalsContact C-N 3.31Å; V598-T600 HydrophobicContact CG1-CG2 4.29Å; V598-T600 PolarHBondContact O-N 3.09Å |
| 601 | N | 29.6 | Very low | 27.9 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 139.5 | 180 | -66.9 | -35.1 | 0 | 0 | 0 | 110.8 | ||
| 602 | G | 34.1 | Very low | 27.5 | Very low | 76 Ų | 76 | 138.6 Ų | 138.6 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 128.7 | -161.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 603 | E | 27.5 | Very low | 27.6 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -135.6 | 133.1 | 148.6 | -95.6 | 170.1 | -171.7 | 0 | 0 | 106.4 | ||||
| 604 | T | 25 | Very low | 27.6 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -111.1 | 107.5 | -167.5 | -35.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 605 | E | 24.3 | Very low | 27.6 | Very low | 185 Ų | 185 | 142.2 Ų | 142.2 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 139.5 | 168.2 | -70.5 | -147.9 | 140.2 | 0 | 0 | 111.9 | ||
| 606 | P | 28.6 | Very low | 27.6 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 132.6 | -178.8 | 32.7 | -34 | 0 | 0 | 0 | 112.5 | T608 | P606-T608 PolarHBondContact O-N 2.84Š|
| 607 | S | 25 | Very low | 27.5 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 118 | 176.1 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 608 | T | 25.2 | Very low | 27.4 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 130.5 | 175.5 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | P606 | P606-T608 PolarHBondContact O-N 2.84Š|
| 609 | V | 28.4 | Very low | 27.3 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 132.3 | 175.6 | -177 | 0 | 0 | 0 | 0 | 110.4 | ||
| 610 | E | 25.1 | Very low | 27.4 | Very low | 190 Ų | 190 | 141.7 Ų | 141.7 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 127.9 | 176 | -66.5 | -169.4 | 146 | 0 | 0 | 112.3 | ||
| 611 | A | 27.1 | Very low | 27.4 | Very low | 94 Ų | 94 | 141.8 Ų | 141.8 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | -105.1 | 120.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 612 | K | 25.8 | Very low | 27.3 | Very low | 206 Ų | 206 | 141 Ų | 141 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | trans | -75.6 | 130.5 | 171 | -75.5 | 176.9 | 177.9 | 168.8 | 0 | 110.6 | ||||
| 613 | H | 27.8 | Very low | 27.2 | Very low | 181 Ų | 181 | 147.1 Ų | 147.1 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -135 | 155.7 | 169.9 | -98.1 | 8.1 | 0 | 0 | 0 | 113.4 | ||||
| 614 | P | 28.6 | Very low | 27.4 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 72% | 0.721 | 81% | 0.813 | S | S | * | * | trans | -86.2 | -178.8 | -167.2 | 40.1 | -40.1 | 0 | 0 | 0 | 112.7 | ||||
| 615 | P | 28.1 | Very low | 27.7 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 154.8 | -157.3 | 31.9 | -35 | 0 | 0 | 0 | 114.8 | ||
| 616 | P | 28.8 | Very low | 28.3 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 151.9 | -173.3 | 34 | -36.4 | 0 | 0 | 0 | 114.7 | ||
| 617 | V | 24.8 | Very low | 29 | Very low | 142 Ų | 142 | 141 Ų | 141 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 160.4 | 167.2 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 618 | T | 26.2 | Very low | 29.7 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -87 | 133.6 | -162.5 | 49 | 0 | 0 | 0 | 0 | 117 | ||
| 619 | Q | 24.7 | Very low | 30.6 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | 68.3 | 164.8 | 144.4 | -74.6 | -173.2 | 4.8 | 0 | 0 | 119.6 | ||||
| 620 | P | 32.9 | Very low | 31.4 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | cis | -130.6 | 163.1 | -11.1 | 29.2 | -8.1 | 0 | 0 | 0 | 116.9 | ||||
| 621 | T | 27.6 | Very low | 32.4 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | 19.1 | 125.2 | 150.2 | 60.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 622 | N | 28.1 | Very low | 32.8 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | -178.4 | 108.5 | 110.1 | -100 | -19.5 | 0 | 0 | 0 | 113.7 | |||||
| 623 | Q | 32.1 | Very low | 33 | Very low | 204 Ų | 204 | 131.9 Ų | 131.9 | 95% | 0.953 | 77% | 0.768 | S | S | * | * | trans | -177.3 | 99.7 | 156.7 | -107.3 | 168 | 21 | 0 | 0 | 109.2 | ||||
| 624 | A | 30.6 | Very low | 33.1 | Very low | 86 Ų | 86 | 131 Ų | 131 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -143.8 | -5.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 625 | N | 32.2 | Very low | 33 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -94.6 | -11.1 | -167.2 | -70.8 | 13.8 | 0 | 0 | 0 | 115.1 | L627 | N625-L627 VanDerWaalsContact C-N 3.32Å; N625-L627 PolarHBondContact O-N 3.09Å |
| 626 | D | 35.7 | Very low | 32.9 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 21.6 | -169.2 | -152.7 | 41.5 | 0 | 0 | 0 | 113.8 | ||
| 627 | L | 43.6 | Very low | 32.8 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 56% | 0.555 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.7 | 21.2 | -170.2 | -113 | 167.1 | 0 | 0 | 0 | 113.8 | N625 R793 | N625-L627 VanDerWaalsContact C-N 3.32Å; N625-L627 PolarHBondContact O-N 3.09Å; L627-R793 PolarHBondContact O-NH1 3.25Å |
| 628 | L | 40.4 | Very low | 33.2 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -102.8 | -24 | 175.3 | -134.9 | 74.1 | 0 | 0 | 0 | 113.2 | L630 | L628-L630 PolarHBondContact O-N 3.15Š|
| 629 | D | 43.2 | Very low | 33.2 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -75.1 | -19.7 | -168.5 | -159 | 46.6 | 0 | 0 | 0 | 114.3 | L631 | D629-L631 PolarHBondContact O-N 3.44Š|
| 630 | L | 45.8 | Very low | 33.3 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -85.9 | 2.2 | -170.3 | -140.8 | 84.9 | 0 | 0 | 0 | 115.5 | L628 | L628-L630 PolarHBondContact O-N 3.15Š|
| 631 | L | 45.3 | Very low | 33 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 61% | 0.607 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -139.4 | 8.7 | -170.9 | -79 | 173.3 | 0 | 0 | 0 | 115 | D629 | D629-L631 PolarHBondContact O-N 3.44Š|
| 632 | G | 36.1 | Very low | 32.7 | Very low | 67 Ų | 67 | 136.8 Ų | 136.8 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -150.6 | 83.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 633 | G | 30.9 | Very low | 32.5 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -171.7 | 111.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 634 | N | 29.6 | Very low | 32 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -92.6 | 116.4 | 178.5 | -72.4 | -11 | 0 | 0 | 0 | 110.1 | ||||
| 635 | D | 27 | Very low | 31.9 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | -179.2 | 93.2 | 143.5 | -99.5 | -21.4 | 0 | 0 | 0 | 111.6 | ||||
| 636 | V | 25.6 | Very low | 31.6 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -149.1 | 127.6 | 162 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 637 | V | 26.3 | Very low | 31.2 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -143.3 | 154.3 | 155.8 | -119.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 638 | P | 33.9 | Very low | 30.3 | Very low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | -132.2 | 162.4 | -92.2 | 40.5 | -26.7 | 0 | 0 | 0 | 115.6 | |||||
| 639 | V | 24.9 | Very low | 29.6 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -149.1 | 119.9 | 171 | 178.7 | 0 | 0 | 0 | 0 | 107.4 | ||
| 640 | I | 27.8 | Very low | 28.8 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | cis | -139.6 | 148.6 | -5.6 | -93 | 154 | 0 | 0 | 0 | 107.6 | ||||
| 641 | Q | 25.7 | Very low | 27.9 | Very low | 180 Ų | 180 | 126.3 Ų | 126.3 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | trans | -113.2 | 144.3 | 158.3 | -81.4 | -172.7 | -17.9 | 0 | 0 | 110.3 | ||||
| 642 | T | 22.1 | Very low | 27 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | trans | -95.3 | 119 | 169.6 | 49.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 643 | T | 24.2 | Very low | 26.5 | Very low | 116 Ų | 116 | 125 Ų | 125 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | trans | -138.1 | 154.7 | 166.4 | 55.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 644 | I | 21 | Very low | 26.4 | Very low | 164 Ų | 164 | 131 Ų | 131 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -124.2 | 117.6 | 169 | -56.6 | 176 | 0 | 0 | 0 | 108 | ||||
| 645 | P | 28.9 | Very low | 26.3 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -115.9 | 152.7 | 153.6 | 34.2 | -24.3 | 0 | 0 | 0 | 111.3 | ||||
| 646 | T | 24.7 | Very low | 26.6 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 161.2 | -176.9 | 34.8 | 0 | 0 | 0 | 0 | 114 | ||
| 647 | K | 27.5 | Very low | 26.9 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 70% | 0.7 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 158.3 | -164.6 | -110.3 | -165.1 | 167.4 | 178.3 | 0 | 116.2 | S650 | K647-S650 PolarHBondContact NZ-OG 3.16Š|
| 648 | P | 24.3 | Very low | 27.1 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | -101.1 | 166.4 | 114 | -20.7 | 35.3 | 0 | 0 | 0 | 115.5 | |||
| 649 | A | 26.2 | Very low | 26.9 | Very low | 91 Ų | 91 | 132 Ų | 132 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -103.7 | 174.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 650 | S | 27.7 | Very low | 27 | Very low | 88 Ų | 88 | 129 Ų | 129 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | cis | 164.6 | 142.9 | -34.5 | -140.9 | 0 | 0 | 0 | 0 | 107.1 | K647 | K647-S650 PolarHBondContact NZ-OG 3.16Š| ||
| 651 | A | 27.1 | Very low | 26.9 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | cis | -167.4 | 161.6 | -18.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 652 | G | 25 | Very low | 27.1 | Very low | 84 Ų | 84 | 127.3 Ų | 127.3 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | 126.8 | 138.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 653 | G | 26 | Very low | 27.3 | Very low | 73 Ų | 73 | 125.6 Ų | 125.6 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | cis | -166 | 173.7 | -2.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 654 | E | 29 | Very low | 27.3 | Very low | 196 Ų | 196 | 127.7 Ų | 127.7 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | trans | 16 | 125.9 | 159.9 | -64.4 | 169.9 | -178.1 | 0 | 0 | 120 | ||||
| 655 | L | 27.6 | Very low | 27.5 | Very low | 150 Ų | 150 | 125.4 Ų | 125.4 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | -153.8 | 106.4 | 129.9 | -110.4 | 169 | 0 | 0 | 0 | 110.6 | D657 | L655-D657 VanDerWaalsContact C-N 3.32Å; L655-D657 HydrophobicContact CD2-CB 3.62Å | |||
| 656 | L | 32.6 | Very low | 27.3 | Very low | 173 Ų | 173 | 124.1 Ų | 124.1 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | -100.1 | 64.9 | 158.9 | -162.1 | 165.8 | 0 | 0 | 0 | 107 | ||||
| 657 | D | 31.6 | Very low | 27.2 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 60% | 0.604 | 78% | 0.779 | S | S | * | * | trans | -158.6 | 123.1 | 164.5 | -113.3 | -8.6 | 0 | 0 | 0 | 105 | L655 | L655-D657 VanDerWaalsContact C-N 3.32Å; L655-D657 HydrophobicContact CD2-CB 3.62Å | ||
| 658 | L | 31.6 | Very low | 27.8 | Very low | 133 Ų | 133 | 119.7 Ų | 119.7 | 70% | 0.696 | 79% | 0.786 | S | S | * | * | cis | 102.7 | 101.2 | 39.8 | -176 | 74.7 | 0 | 0 | 0 | 110.9 | ||||
| 659 | L | 30.6 | Very low | 27.9 | Very low | 162 Ų | 162 | 118.3 Ų | 118.3 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | 67.7 | 140.8 | 161.7 | -58.2 | 166.8 | 0 | 0 | 0 | 118.9 | ||||
| 660 | G | 26.6 | Very low | 28.3 | Very low | 75 Ų | 75 | 120.5 Ų | 120.5 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 92.7 | 117.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 661 | D | 25.8 | Very low | 28.3 | Very low | 152 Ų | 152 | 121 Ų | 121 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | cis | 91.7 | 143.4 | 35 | -161.4 | 24.1 | 0 | 0 | 0 | 114.4 | ||||
| 662 | L | 28.4 | Very low | 29.6 | Very low | 137 Ų | 137 | 122.7 Ų | 122.7 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | trans | 67.6 | 98.7 | 174.2 | -56.6 | 178.3 | 0 | 0 | 0 | 121.1 | ||||
| 663 | S | 26.3 | Very low | 29.7 | Very low | 99 Ų | 99 | 123.3 Ų | 123.3 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | 73.2 | 131.6 | 111.2 | -60.5 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 664 | L | 25.1 | Very low | 30.3 | Very low | 159 Ų | 159 | 125.6 Ų | 125.6 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | 91 | 105.6 | 138.2 | -72.9 | 163.6 | 0 | 0 | 0 | 124 | ||||
| 665 | S | 25.4 | Very low | 30.1 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | 70.3 | 129.6 | 127.4 | 68.1 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 666 | G | 24 | Very low | 30.2 | Very low | 84 Ų | 84 | 121 Ų | 121 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | 132 | 120.6 | 126.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 667 | G | 22.3 | Very low | 30.8 | Very low | 79 Ų | 79 | 118.3 Ų | 118.3 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | 111.8 | 150 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 668 | P | 41.3 | Very low | 30.5 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | trans | -137.7 | 169.5 | -160.4 | 41.9 | -22.7 | 0 | 0 | 0 | 120 | ||||
| 669 | A | 26.5 | Very low | 30.2 | Very low | 95 Ų | 95 | 118.2 Ų | 118.2 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 77.2 | 137.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 670 | P | 34.8 | Very low | 30.1 | Very low | 137 Ų | 137 | 119.4 Ų | 119.4 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -131.7 | -177.3 | 150.3 | 39.8 | -26.1 | 0 | 0 | 0 | 114.2 | ||||
| 671 | A | 27.8 | Very low | 31.3 | Very low | 99 Ų | 99 | 121.3 Ų | 121.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -133.5 | 168.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 672 | P | 53.4 | Low | 32.1 | Very low | 132 Ų | 132 | 119.6 Ų | 119.6 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -119.9 | 175.8 | -158.2 | 43.3 | -33.8 | 0 | 0 | 0 | 118.1 | ||||
| 673 | A | 26.3 | Very low | 32.1 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -158.8 | 165.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 674 | P | 39.2 | Very low | 32.2 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -140.4 | -174.2 | -143.8 | 45.6 | -29.5 | 0 | 0 | 0 | 120.5 | ||||
| 675 | S | 25.9 | Very low | 32.4 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | 108 | 157.3 | 139.8 | 75.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 676 | V | 28.3 | Very low | 32.4 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | trans | -166.6 | -174.6 | -167.1 | -85.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 677 | P | 46.7 | Very low | 32.4 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | cis | -139.4 | -164.6 | 5.9 | 46.2 | -26.5 | 0 | 0 | 0 | 116.6 | ||||
| 678 | T | 24.2 | Very low | 32.5 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -178.5 | 162.8 | 167.9 | 14.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 679 | S | 25.9 | Very low | 31.9 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | cis | -172.7 | 151.9 | -31.3 | 47.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 680 | Q | 28.8 | Very low | 31.9 | Very low | 187 Ų | 187 | 131.6 Ų | 131.6 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -152.1 | -174.3 | 174.7 | -74.1 | -165.8 | -2.8 | 0 | 0 | 109 | ||||
| 681 | P | 50.9 | Low | 31.8 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | cis | -128.3 | -135 | 6.7 | 34.5 | -7.2 | 0 | 0 | 0 | 111.1 | ||||
| 682 | P | 43.2 | Very low | 31.8 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | cis | -138.6 | -153.1 | -5.6 | 45.5 | -23.5 | 0 | 0 | 0 | 116.6 | ||||
| 683 | F | 28.6 | Very low | 30.7 | Very low | 199 Ų | 199 | 134.9 Ų | 134.9 | 87% | 0.873 | 80% | 0.797 | S | S | * | * | trans | -140.5 | 175.3 | 178 | -111.1 | -99.1 | 0 | 0 | 0 | 110.3 | ||||
| 684 | L | 27.5 | Very low | 30.7 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | trans | -144.4 | 162.9 | 164.2 | -84.8 | -177.8 | 0 | 0 | 0 | 114 | ||||
| 685 | L | 29.6 | Very low | 30.1 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -111.6 | 178.7 | -171.8 | -132.5 | 70.6 | 0 | 0 | 0 | 110.9 | ||||
| 686 | D | 25.3 | Very low | 30.1 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | cis | -155.6 | -175.3 | 9.4 | -157.1 | 26.7 | 0 | 0 | 0 | 108 | ||||
| 687 | G | 23.9 | Very low | 30 | Very low | 54 Ų | 54 | 143.3 Ų | 143.3 | 56% | 0.557 | 80% | 0.797 | S | S | * | * | cis | 168.9 | -162.6 | 7.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 688 | L | 24.7 | Very low | 29.1 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | 73.8 | 159.9 | 170.1 | -64.2 | 179.9 | 0 | 0 | 0 | 120.5 | ||||
| 689 | T | 29 | Very low | 29.5 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -117.5 | 145.3 | -149.4 | 54.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 690 | S | 25.4 | Very low | 30.3 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -164.6 | 167.2 | 145.1 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 691 | Q | 33.7 | Very low | 31.7 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | -74 | 166.5 | -175.1 | -64.8 | 174.9 | -41.1 | 0 | 0 | 113.5 | ||||
| 692 | P | 28.2 | Very low | 32.8 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | -124.5 | 158.7 | 116.3 | 36.5 | -33.5 | 0 | 0 | 0 | 113.9 | |||||
| 693 | L | 30.1 | Very low | 34.5 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | -72.4 | 149.6 | 168.5 | -62.4 | 70.8 | 0 | 0 | 0 | 109.7 | ||||
| 694 | F | 26.1 | Very low | 37.2 | Very low | 209 Ų | 209 | 122.9 Ų | 122.9 | 92% | 0.917 | 74% | 0.737 | S | S | * | * | trans | -174.5 | 85.3 | 133.2 | -94.7 | -57.4 | 0 | 0 | 0 | 112.5 | ||||
| 695 | N | 27 | Very low | 40.1 | Very low | 135 Ų | 135 | 116.1 Ų | 116.1 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | trans | -94.8 | 152.2 | 144.1 | -96.1 | 55.3 | 0 | 0 | 0 | 106.4 | ||||
| 696 | D | 25.3 | Very low | 42.9 | Very low | 130 Ų | 130 | 112 Ų | 112 | 70% | 0.695 | 68% | 0.682 | S | S | * | * | cis | -147.4 | 137.1 | 0.9 | -97.5 | -56.5 | 0 | 0 | 0 | 109.1 | ||||
| 697 | I | 26.2 | Very low | 45.9 | Very low | 172 Ų | 172 | 105.8 Ų | 105.8 | 88% | 0.882 | 65% | 0.651 | S | S | * | * | trans | -140.3 | 102.1 | 149.2 | -58.8 | -175.6 | 0 | 0 | 0 | 107.8 | A699 | I697-A699 PolarHBondContact O-N 2.89Å; I697-A699 VanDerWaalsContact O-N 3.13Å | ||
| 698 | A | 27.3 | Very low | 49 | Very low | 98 Ų | 98 | 103.7 Ų | 103.7 | 81% | 0.81 | 63% | 0.626 | S | S | * | * | trans | -77.3 | 97 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 699 | A | 33.2 | Very low | 52.2 | Low | 93 Ų | 93 | 100.4 Ų | 100.4 | 77% | 0.769 | 61% | 0.61 | S | S | * | * | trans | -69.4 | 140.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | I697 G701 | I697-A699 PolarHBondContact O-N 2.89Å; I697-A699 VanDerWaalsContact O-N 3.13Å; A699-G701 VanDerWaalsContact C-N 3.3Å; A699-G701 PolarHBondContact O-N 2.95Å | ||
| 700 | A | 42.8 | Very low | 54.9 | Low | 110 Ų | 110 | 99.4 Ų | 99.4 | 91% | 0.909 | 59% | 0.594 | S | S | * | * | trans | -73.6 | 79.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 701 | G | 58.2 | Low | 57.6 | Low | 60 Ų | 60 | 98.4 Ų | 98.4 | 62% | 0.619 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 148.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A699 | A699-G701 VanDerWaalsContact C-N 3.3Å; A699-G701 PolarHBondContact O-N 2.95Å |
| 702 | I | 74.2 | Confident | 59.9 | Low | 34 Ų | 34 | 90.9 Ų | 90.9 | 17% | 0.174 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 129.4 | 174.3 | -57.6 | 164.6 | 0 | 0 | 0 | 108.1 | F719 R721 P815 Q817 | I702-F719 HydrophobicContact CB-CB 3.96Å; I702-F719 HydrophobicContact CD1-CB 3.94Å; I702-F719 HydrophobicContact CG2-CB 3.74Å; I702-F719 HydrophobicContact CG2-CD2 3.73Å; I702-F719 HydrophobicContact CG2-CG 3.96Å; I702-R721 HydrophobicContact CD1-CG 4.24Å; I702-P815 HydrophobicContact CG2-CB 4.11Å; I702-P815 HydrophobicContact CG2-CG 4.37Å; I702-Q817 WeakPolarHBondContact CD1-O 3.41Å; I702-Q817 HydrophobicContact CG1-CB 4.05Å; I702-Q817 HydrophobicContact CG2-CB 4.35Å |
| 703 | P | 79.2 | Confident | 62.8 | Low | 72 Ų | 72 | 85.1 Ų | 85.1 | 47% | 0.468 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 137.6 | -178.5 | 26.2 | -34.4 | 0 | 0 | 0 | 111.5 | F719 P815 | P703-F719 WeakPolarHBondContact O-CD2 3.49Å; P703-P815 HydrophobicContact CG-CB 4.19Å; P703-P815 HydrophobicContact CG-CG 4.14Å |
| 704 | S | 84.2 | Confident | 65.7 | Low | 81 Ų | 81 | 81.7 Ų | 81.7 | 57% | 0.566 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 158.2 | 172.1 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | F717 | S704-F717 VanDerWaalsContact CA-O 3.24Å; S704-F717 WeakPolarHBondContact CA-O 3.26Å; S704-F717 VanDerWaalsContact CB-O 3.24Å; S704-F717 WeakPolarHBondContact CB-O 3.44Å |
| 705 | M | 87.8 | Confident | 68.8 | Low | 27 Ų | 27 | 71.8 Ų | 71.8 | 13% | 0.133 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 143.6 | 179.1 | 66 | 176.1 | -72.6 | 0 | 0 | 112.1 | A707 D716 F717 F719 V811 N813 F814 | M705-A707 PolarHBondContact O-N 2.92Å; M705-D716 CarbonylContact O-C 3.58Å; M705-D716 WeakPolarHBondContact O-CA 3.44Å; M705-F717 HydrophobicContact CG-CB 4.04Å; M705-F717 HydrophobicContact CG-CD2 4.43Å; M705-F717 PolarHBondContact N-O 3.2Å; M705-F717 PolarHBondContact O-N 2.83Å; M705-F719 HydrophobicContact CG-CE2 3.87Å; M705-F719 HydrophobicContact CG-CZ 3.81Å; M705-F719 HydrophobicContact SD-CE2 4.26Å; M705-F719 HydrophobicContact SD-CZ 3.78Å; M705-V811 HydrophobicContact CE-CG1 3.48Å; M705-V811 VanDerWaalsContact CE-CG1 3.48Å; M705-N813 HydrophobicContact CE-CB 3.88Å; M705-F814 HydrophobicContact SD-CD1 3.97Å; M705-F814 HydrophobicContact SD-CE1 4.39Å; M705-F814 HydrophobicContact SD-CG 4.37Å |
| 706 | T | 89.7 | Confident | 71.9 | Confident | 70 Ų | 70 | 67 Ų | 67 | 43% | 0.429 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 117.4 | 168.4 | -57.1 | 0 | 0 | 0 | 0 | 109.6 | Y708 N709 K714 D716 | T706-Y708 VanDerWaalsContact CG2-O 3.31Å; T706-Y708 WeakPolarHBondContact CG2-O 3.46Å; T706-N709 HydrophobicContact CG2-CB 4.13Å; T706-K714 HydrophobicContact CG2-CG 4.01Å; T706-K714 VanDerWaalsContact OG1-CE 3.31Å; T706-K714 WeakPolarHBondContact OG1-CE 3.34Å; T706-D716 VanDerWaalsContact CA-OD1 3.24Å; T706-D716 WeakPolarHBondContact CA-OD1 3.4Å; T706-D716 VanDerWaalsContact CB-OD1 3.28Å; T706-D716 WeakPolarHBondContact CB-OD1 3.42Å; T706-D716 PolarHBondContact OG1-OD1 2.92Å |
| 707 | A | 87.2 | Confident | 75.1 | Confident | 14 Ų | 14 | 60.8 Ų | 60.8 | 12% | 0.116 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -28.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M705 I715 F717 V811 | M705-A707 PolarHBondContact O-N 2.92Å; A707-I715 PolarHBondContact N-O 2.92Å; A707-F717 HydrophobicContact CB-CD1 3.79Å; A707-F717 HydrophobicContact CB-CD2 3.72Å; A707-F717 HydrophobicContact CB-CE1 3.55Å; A707-F717 HydrophobicContact CB-CE2 3.49Å; A707-F717 VanDerWaalsContact CB-CE2 3.49Å; A707-F717 HydrophobicContact CB-CG 3.88Å; A707-F717 HydrophobicContact CB-CZ 3.41Å; A707-F717 VanDerWaalsContact CB-CZ 3.41Å; A707-V811 HydrophobicContact CB-CG2 4.15Å |
| 708 | Y | 90.2 | Very high | 78.2 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 4% | 0.035 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 143.4 | 176.1 | -162.8 | -107.8 | 0 | 0 | 0 | 111.9 | T706 K710 L713 K714 I715 I794 L796 D807 A809 | T706-Y708 VanDerWaalsContact CG2-O 3.31Å; T706-Y708 WeakPolarHBondContact CG2-O 3.46Å; Y708-K710 HydrophobicContact CE1-CB 3.89Å; Y708-K710 HydrophobicContact CE1-CG 4.33Å; Y708-K710 HydrophobicContact CE2-CD 4.33Å; Y708-K710 HydrophobicContact CE2-CG 4.25Å; Y708-K710 WeakPolarHBondContact OH-CD 3.48Å; Y708-L713 HydrophobicContact CD1-CD2 4.48Å; Y708-L713 HydrophobicContact CD1-CG 4.44Å; Y708-K714 CarbonylContact O-C 3.53Å; Y708-K714 WeakPolarHBondContact O-CA 3.27Å; Y708-I715 PolarHBondContact N-O 2.91Å; Y708-I715 VanDerWaalsContact N-O 3.12Å; Y708-I715 PolarHBondContact O-N 3.19Å; Y708-I794 HydrophobicContact CD2-CD1 4.43Å; Y708-L796 HydrophobicContact CD1-CD1 3.47Å; Y708-L796 VanDerWaalsContact CD1-CD1 3.47Å; Y708-L796 HydrophobicContact CD2-CD1 4.08Å; Y708-L796 HydrophobicContact CE1-CD1 3.65Å; Y708-L796 HydrophobicContact CE2-CD1 4.25Å; Y708-L796 HydrophobicContact CG-CD1 3.7Å; Y708-D807 VanDerWaalsContact OH-CB 3.26Å; Y708-D807 WeakPolarHBondContact OH-CB 3.33Å; Y708-D807 PolarHBondContact OH-OD1 2.95Å; Y708-D807 PolarHBondContact OH-OD2 3.35Å; Y708-A809 HydrophobicContact CD2-CB 3.87Å; Y708-A809 HydrophobicContact CE2-CB 4.02Å |
| 709 | N | 90.4 | Very high | 81.1 | Confident | 106 Ų | 106 | 51 Ų | 51 | 57% | 0.567 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 95.3 | 169.2 | -172.4 | 0 | 0 | 0 | 0 | 110.1 | T706 L713 K714 | T706-N709 HydrophobicContact CG2-CB 4.13Å; N709-L713 WeakPolarHBondContact CA-O 3.47Å; N709-K714 HydrophobicContact CB-CG 4.26Å |
| 710 | K | 86.3 | Confident | 83.4 | Confident | 109 Ų | 109 | 52.5 Ų | 52.5 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 159.6 | 170.7 | -59.1 | -169.1 | -163.1 | 161.1 | 0 | 109.9 | Y708 G712 L713 | Y708-K710 HydrophobicContact CE1-CB 3.89Å; Y708-K710 HydrophobicContact CE1-CG 4.33Å; Y708-K710 HydrophobicContact CE2-CD 4.33Å; Y708-K710 HydrophobicContact CE2-CG 4.25Å; Y708-K710 WeakPolarHBondContact OH-CD 3.48Å; K710-G712 PolarHBondContact O-N 3.43Å; K710-L713 PolarHBondContact N-O 3.47Å; K710-L713 VanDerWaalsContact N-O 3.15Å; K710-L713 PolarHBondContact O-N 2.97Å; K710-L713 VanDerWaalsContact O-O 3.1Å |
| 711 | N | 81.3 | Confident | 84.5 | Confident | 101 Ų | 101 | 54 Ų | 54 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 23.3 | 171.1 | -54.2 | -24.2 | 0 | 0 | 0 | 114.4 | L713 D807 | N711-L713 VanDerWaalsContact C-N 3.27Å; N711-L713 PolarHBondContact O-N 3Å; N711-D807 PolarHBondContact ND2-OD2 3.24Å |
| 712 | G | 82 | Confident | 84.5 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 18% | 0.175 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -5.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K710 N737 S738 | K710-G712 PolarHBondContact O-N 3.43Å; G712-N737 WeakPolarHBondContact O-CA 3.43Å; G712-S738 WeakPolarHBondContact CA-OG 3.47Å; G712-S738 PolarHBondContact O-N 3.17Å; G712-S738 PolarHBondContact O-OG 3.01Å |
| 713 | L | 89.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 119.2 | 171.4 | 178 | 63.7 | 0 | 0 | 0 | 110.1 | Y708 N709 K710 N711 I715 A735 T736 M743 F746 L796 Y798 | Y708-L713 HydrophobicContact CD1-CD2 4.48Å; Y708-L713 HydrophobicContact CD1-CG 4.44Å; N709-L713 WeakPolarHBondContact CA-O 3.47Å; K710-L713 PolarHBondContact N-O 3.47Å; K710-L713 VanDerWaalsContact N-O 3.15Å; K710-L713 PolarHBondContact O-N 2.97Å; K710-L713 VanDerWaalsContact O-O 3.1Å; N711-L713 VanDerWaalsContact C-N 3.27Å; N711-L713 PolarHBondContact O-N 3Å; L713-I715 HydrophobicContact CD1-CG1 4.49Å; L713-I715 HydrophobicContact CG-CG1 4.43Å; L713-A735 HydrophobicContact CD1-CB 4.41Å; L713-T736 WeakPolarHBondContact CA-O 3.42Å; L713-M743 HydrophobicContact CB-CE 4.05Å; L713-M743 HydrophobicContact CB-SD 4.02Å; L713-M743 HydrophobicContact CD1-SD 4.12Å; L713-M743 HydrophobicContact CG-SD 4.47Å; L713-F746 HydrophobicContact CD1-CE2 4.31Å; L713-F746 HydrophobicContact CD2-CE2 4.1Å; L713-L796 HydrophobicContact CD2-CD1 3.98Å; L713-Y798 HydrophobicContact CD2-CD1 3.94Å; L713-Y798 HydrophobicContact CD2-CE1 3.57Å |
| 714 | K | 91.6 | Very high | 82 | Confident | 69 Ų | 69 | 61 Ų | 61 | 30% | 0.3 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 135 | 172.9 | -169.5 | -161.1 | -176.7 | -147.1 | 0 | 110 | T706 Y708 N709 D716 A735 T736 | T706-K714 HydrophobicContact CG2-CG 4.01Å; T706-K714 VanDerWaalsContact OG1-CE 3.31Å; T706-K714 WeakPolarHBondContact OG1-CE 3.34Å; Y708-K714 CarbonylContact O-C 3.53Å; Y708-K714 WeakPolarHBondContact O-CA 3.27Å; N709-K714 HydrophobicContact CB-CG 4.26Å; K714-D716 WeakPolarHBondContact CE-OD1 3.35Å; K714-D716 WeakPolarHBondContact CE-OD2 3.29Å; K714-D716 IonicContact NZ-OD1 2.61Å; K714-D716 PolarHBondContact NZ-OD1 2.71Å; K714-D716 IonicContact NZ-OD2 2.7Å; K714-D716 PolarHBondContact NZ-OD2 2.72Å; K714-A735 CarbonylContact O-C 3.59Å; K714-A735 WeakPolarHBondContact O-CA 3.12Å; K714-T736 PolarHBondContact N-O 3Å; K714-T736 PolarHBondContact O-N 3.18Å; K714-T736 PolarHBondContact O-OG1 3.31Å |
| 715 | I | 91.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 118.8 | 174.8 | -54 | 179.6 | 0 | 0 | 0 | 108.7 | A707 Y708 L713 F717 I733 H734 A735 F746 F748 L796 | A707-I715 PolarHBondContact N-O 2.92Å; Y708-I715 PolarHBondContact N-O 2.91Å; Y708-I715 VanDerWaalsContact N-O 3.12Å; Y708-I715 PolarHBondContact O-N 3.19Å; L713-I715 HydrophobicContact CD1-CG1 4.49Å; L713-I715 HydrophobicContact CG-CG1 4.43Å; I715-F717 HydrophobicContact CG2-CD1 4.28Å; I715-F717 HydrophobicContact CG2-CE1 4Å; I715-I733 HydrophobicContact CG2-CB 4.05Å; I715-H734 WeakPolarHBondContact CA-O 3.4Å; I715-A735 HydrophobicContact CG1-CB 4.13Å; I715-F746 HydrophobicContact CD1-CZ 4.31Å; I715-F748 HydrophobicContact CD1-CD2 4.14Å; I715-F748 HydrophobicContact CD1-CE2 4.47Å; I715-L796 HydrophobicContact CD1-CD1 3.72Å; I715-L796 HydrophobicContact CD1-CD2 3.49Å; I715-L796 VanDerWaalsContact CD1-CD2 3.49Å; I715-L796 HydrophobicContact CD1-CG 4.27Å |
| 716 | D | 92 | Very high | 80.1 | Confident | 34 Ų | 34 | 64.1 Ų | 64.1 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 147.3 | 171.5 | -64.1 | -48.8 | 0 | 0 | 0 | 110.9 | M705 T706 K714 I733 H734 | M705-D716 CarbonylContact O-C 3.58Å; M705-D716 WeakPolarHBondContact O-CA 3.44Å; T706-D716 VanDerWaalsContact CA-OD1 3.24Å; T706-D716 WeakPolarHBondContact CA-OD1 3.4Å; T706-D716 VanDerWaalsContact CB-OD1 3.28Å; T706-D716 WeakPolarHBondContact CB-OD1 3.42Å; T706-D716 PolarHBondContact OG1-OD1 2.92Å; K714-D716 WeakPolarHBondContact CE-OD1 3.35Å; K714-D716 WeakPolarHBondContact CE-OD2 3.29Å; K714-D716 IonicContact NZ-OD1 2.61Å; K714-D716 PolarHBondContact NZ-OD1 2.71Å; K714-D716 IonicContact NZ-OD2 2.7Å; K714-D716 PolarHBondContact NZ-OD2 2.72Å; D716-I733 CarbonylContact O-C 3.37Å; D716-I733 WeakPolarHBondContact O-CA 3.46Å; D716-H734 PolarHBondContact N-O 3.29Å; D716-H734 PolarHBondContact O-N 3.08Å |
| 717 | F | 93.1 | Very high | 79.2 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 130.3 | 173.7 | -69 | -9.6 | 0 | 0 | 0 | 110.2 | S704 M705 A707 I715 F719 I731 I733 F748 M792 I794 V811 F814 | S704-F717 VanDerWaalsContact CA-O 3.24Å; S704-F717 WeakPolarHBondContact CA-O 3.26Å; S704-F717 VanDerWaalsContact CB-O 3.24Å; S704-F717 WeakPolarHBondContact CB-O 3.44Å; M705-F717 HydrophobicContact CG-CB 4.04Å; M705-F717 HydrophobicContact CG-CD2 4.43Å; M705-F717 PolarHBondContact N-O 3.2Å; M705-F717 PolarHBondContact O-N 2.83Å; A707-F717 HydrophobicContact CB-CD1 3.79Å; A707-F717 HydrophobicContact CB-CD2 3.72Å; A707-F717 HydrophobicContact CB-CE1 3.55Å; A707-F717 HydrophobicContact CB-CE2 3.49Å; A707-F717 VanDerWaalsContact CB-CE2 3.49Å; A707-F717 HydrophobicContact CB-CG 3.88Å; A707-F717 HydrophobicContact CB-CZ 3.41Å; A707-F717 VanDerWaalsContact CB-CZ 3.41Å; I715-F717 HydrophobicContact CG2-CD1 4.28Å; I715-F717 HydrophobicContact CG2-CE1 4Å; F717-F719 HydrophobicContact CB-CE1 4.36Å; F717-F719 HydrophobicContact CB-CE2 4.34Å; F717-F719 HydrophobicContact CB-CZ 3.89Å; F717-F719 HydrophobicContact CD2-CZ 4.47Å; F717-I731 HydrophobicContact CB-CG2 3.84Å; F717-I731 HydrophobicContact CD1-CG2 4.22Å; F717-I731 HydrophobicContact CD2-CG2 3.96Å; F717-I731 HydrophobicContact CG-CG2 3.76Å; F717-I733 HydrophobicContact CD1-CB 4.03Å; F717-I733 HydrophobicContact CD1-CG2 3.7Å; F717-I733 HydrophobicContact CE1-CB 4.05Å; F717-I733 HydrophobicContact CE1-CG2 3.47Å; F717-I733 VanDerWaalsContact CE1-CG2 3.47Å; F717-I733 HydrophobicContact CZ-CG2 4.48Å; F717-F748 HydrophobicContact CE1-CE2 4.4Å; F717-F748 HydrophobicContact CE1-CZ 4.32Å; F717-F748 HydrophobicContact CZ-CZ 4.31Å; F717-M792 HydrophobicContact CE2-SD 4.32Å; F717-M792 HydrophobicContact CZ-SD 4.26Å; F717-I794 HydrophobicContact CZ-CG2 4.36Å; F717-V811 HydrophobicContact CE2-CG1 4.31Å; F717-F814 AromaticContact CD2-CE1 3.74Å; F717-F814 HydrophobicContact CD2-CE1 3.74Å; F717-F814 HydrophobicContact CD2-CZ 4.26Å; F717-F814 AromaticContact CE2-CE1 3.85Å; F717-F814 HydrophobicContact CE2-CE1 3.85Å; F717-F814 AromaticContact CE2-CZ 3.89Å; F717-F814 HydrophobicContact CE2-CZ 3.89Å |
| 718 | T | 90.6 | Very high | 78.9 | Confident | 46 Ų | 46 | 65 Ų | 65 | 28% | 0.282 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 142.7 | 168.4 | 55.5 | 0 | 0 | 0 | 0 | 109.9 | T732 H734 | T718-T732 PolarHBondContact N-O 3.12Å; T718-T732 PolarHBondContact O-N 2.84Å; T718-T732 PolarHBondContact OG1-O 3.43Å; T718-H734 PolarHBondContact OG1-NE2 3.42Å |
| 719 | F | 87.6 | Confident | 78.5 | Confident | 20 Ų | 20 | 65.2 Ų | 65.2 | 9% | 0.088 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.6 | -168.5 | -57.7 | -78.9 | 0 | 0 | 0 | 112.9 | I702 P703 M705 F717 V730 I731 F814 P815 | I702-F719 HydrophobicContact CB-CB 3.96Å; I702-F719 HydrophobicContact CD1-CB 3.94Å; I702-F719 HydrophobicContact CG2-CB 3.74Å; I702-F719 HydrophobicContact CG2-CD2 3.73Å; I702-F719 HydrophobicContact CG2-CG 3.96Å; P703-F719 WeakPolarHBondContact O-CD2 3.49Å; M705-F719 HydrophobicContact CG-CE2 3.87Å; M705-F719 HydrophobicContact CG-CZ 3.81Å; M705-F719 HydrophobicContact SD-CE2 4.26Å; M705-F719 HydrophobicContact SD-CZ 3.78Å; F717-F719 HydrophobicContact CB-CE1 4.36Å; F717-F719 HydrophobicContact CB-CE2 4.34Å; F717-F719 HydrophobicContact CB-CZ 3.89Å; F717-F719 HydrophobicContact CD2-CZ 4.47Å; F719-V730 WeakPolarHBondContact CA-O 3.41Å; F719-I731 HydrophobicContact CD1-CB 4.5Å; F719-I731 HydrophobicContact CD1-CG1 3.96Å; F719-I731 HydrophobicContact CD1-CG2 4.24Å; F719-I731 HydrophobicContact CE1-CD1 4.25Å; F719-I731 HydrophobicContact CE1-CG1 3.99Å; F719-I731 HydrophobicContact CE1-CG2 3.93Å; F719-F814 AromaticContact CE1-CD1 3.72Å; F719-F814 HydrophobicContact CE1-CD1 3.72Å; F719-F814 HydrophobicContact CE1-CE1 4.03Å; F719-F814 AromaticContact CZ-CD1 3.79Å; F719-F814 HydrophobicContact CZ-CD1 3.79Å; F719-F814 HydrophobicContact CZ-CE1 4.22Å; F719-P815 HydrophobicContact CD2-CG 4.48Å; F719-P815 HydrophobicContact CE2-CG 3.99Å |
| 720 | E | 81.2 | Confident | 78.3 | Confident | 124 Ų | 124 | 61 Ų | 61 | 58% | 0.579 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 143.1 | 173 | -68.9 | 173.5 | -165.4 | 0 | 0 | 110 | V730 | E720-V730 HydrophobicContact CB-CB 4.18Å; E720-V730 PolarHBondContact N-O 3.1Å; E720-V730 WeakPolarHBondContact O-CB 3.09Å; E720-V730 PolarHBondContact O-N 3.27Å |
| 721 | R | 67 | Low | 78.5 | Confident | 141 Ų | 141 | 55.9 Ų | 55.9 | 53% | 0.532 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 127.2 | 172.4 | -73.2 | -178.8 | 175.1 | -159.7 | -8.9 | 109.4 | I702 N723 Q817 Q820 | I702-R721 HydrophobicContact CD1-CG 4.24Å; R721-N723 PolarHBondContact O-N 2.92Å; R721-Q817 PolarHBondContact NE-O 3.07Å; R721-Q817 PolarHBondContact NH2-O 3.28Å; R721-Q820 PolarHBondContact NH2-OXT 3.32Å |
| 722 | A | 58.4 | Low | 79 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 21% | 0.207 | 29% | 0.285 | C | S | . | . | trans | -76.3 | 94.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P724 N725 I728 V730 | A722-P724 CarbonylContact O-C 3.38Å; A722-N725 CarbonylContact O-C 3.56Å; A722-N725 PolarHBondContact O-N 3.44Å; A722-I728 HydrophobicContact CB-CB 4.05Å; A722-I728 HydrophobicContact CB-CG2 4.03Å; A722-I728 PolarHBondContact N-O 3.27Å; A722-V730 HydrophobicContact CB-CG2 3.93Å | ||
| 723 | N | 50.8 | Low | 79.6 | Confident | 159 Ų | 159 | 51.4 Ų | 51.4 | 85% | 0.85 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 130.3 | 161.7 | -76.3 | -18.8 | 0 | 0 | 0 | 108.9 | R721 | R721-N723 PolarHBondContact O-N 2.92Š|
| 724 | P | 49.7 | Very low | 79.7 | Confident | 129 Ų | 129 | 53.9 Ų | 53.9 | 84% | 0.838 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -102.3 | 10.1 | 10.7 | 40.3 | -36.7 | 0 | 0 | 0 | 115.6 | A722 P726 | A722-P724 CarbonylContact O-C 3.38Å; P724-P726 WeakPolarHBondContact O-CD 3.24Å |
| 725 | N | 67.7 | Low | 79.7 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | trans | -112 | 95.7 | -170.9 | -167.5 | -14 | 0 | 0 | 0 | 112 | A722 N727 I728 | A722-N725 CarbonylContact O-C 3.56Å; A722-N725 PolarHBondContact O-N 3.44Å; N725-N727 PolarHBondContact O-N 3.1Å; N725-N727 VanDerWaalsContact O-N 3.09Å; N725-I728 HydrophobicContact CB-CD1 4.22Å; N725-I728 PolarHBondContact O-N 2.87Å; N725-I728 VanDerWaalsContact O-N 3.11Å | ||
| 726 | P | 63.9 | Low | 79.7 | Confident | 100 Ų | 100 | 51.6 Ų | 51.6 | 65% | 0.649 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -15.2 | -168.4 | 28.2 | -36.5 | 0 | 0 | 0 | 114.5 | P724 I728 | P724-P726 WeakPolarHBondContact O-CD 3.24Å; P726-I728 PolarHBondContact O-N 3.33Å |
| 727 | N | 71.9 | Confident | 79.7 | Confident | 57 Ų | 57 | 50 Ų | 50 | 31% | 0.305 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -0.9 | 177.3 | -65.1 | -18.1 | 0 | 0 | 0 | 113 | N725 L783 N784 | N725-N727 PolarHBondContact O-N 3.1Å; N725-N727 VanDerWaalsContact O-N 3.09Å; N727-L783 HydrophobicContact CB-CD1 4.13Å; N727-L783 WeakPolarHBondContact O-CA 3.27Å; N727-N784 PolarHBondContact O-N 3.03Å |
| 728 | I | 79.1 | Confident | 79.5 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 23% | 0.226 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 112.8 | 176.9 | -59.8 | 175.6 | 0 | 0 | 0 | 110.4 | A722 N725 P726 R781 V782 L783 | A722-I728 HydrophobicContact CB-CB 4.05Å; A722-I728 HydrophobicContact CB-CG2 4.03Å; A722-I728 PolarHBondContact N-O 3.27Å; N725-I728 HydrophobicContact CB-CD1 4.22Å; N725-I728 PolarHBondContact O-N 2.87Å; N725-I728 VanDerWaalsContact O-N 3.11Å; P726-I728 PolarHBondContact O-N 3.33Å; I728-R781 HydrophobicContact CG2-CB 4.4Å; I728-V782 WeakPolarHBondContact CA-O 3.45Å; I728-L783 HydrophobicContact CD1-CD1 4.3Å; I728-L783 HydrophobicContact CG1-CD1 3.55Å |
| 729 | A | 81.9 | Confident | 79.4 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 12% | 0.124 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 133.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V782 S818 | A729-V782 PolarHBondContact N-O 3.3Å; A729-V782 PolarHBondContact O-N 2.93Å; A729-S818 WeakPolarHBondContact CB-O 3.21Å |
| 730 | V | 87 | Confident | 79.1 | Confident | 18 Ų | 18 | 59 Ų | 59 | 11% | 0.109 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.4 | 170.1 | -173.3 | 0 | 0 | 0 | 0 | 108 | F719 E720 A722 V779 | F719-V730 WeakPolarHBondContact CA-O 3.41Å; E720-V730 HydrophobicContact CB-CB 4.18Å; E720-V730 PolarHBondContact N-O 3.1Å; E720-V730 WeakPolarHBondContact O-CB 3.09Å; E720-V730 PolarHBondContact O-N 3.27Å; A722-V730 HydrophobicContact CB-CG2 3.93Å; V730-V779 HydrophobicContact CG1-CG1 3.64Å |
| 731 | I | 90.7 | Very high | 79.2 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 112.5 | 179.8 | -48.4 | 173.4 | 0 | 0 | 0 | 107 | F717 F719 I780 V782 L790 M792 F814 | F717-I731 HydrophobicContact CB-CG2 3.84Å; F717-I731 HydrophobicContact CD1-CG2 4.22Å; F717-I731 HydrophobicContact CD2-CG2 3.96Å; F717-I731 HydrophobicContact CG-CG2 3.76Å; F719-I731 HydrophobicContact CD1-CB 4.5Å; F719-I731 HydrophobicContact CD1-CG1 3.96Å; F719-I731 HydrophobicContact CD1-CG2 4.24Å; F719-I731 HydrophobicContact CE1-CD1 4.25Å; F719-I731 HydrophobicContact CE1-CG1 3.99Å; F719-I731 HydrophobicContact CE1-CG2 3.93Å; I731-I780 HydrophobicContact CB-CB 4.24Å; I731-I780 HydrophobicContact CB-CG1 4.5Å; I731-I780 PolarHBondContact N-O 3.26Å; I731-I780 PolarHBondContact O-N 3.46Å; I731-V782 HydrophobicContact CD1-CG2 4.1Å; I731-L790 HydrophobicContact CD1-CD2 3.84Å; I731-M792 HydrophobicContact CD1-CE 3.96Å; I731-F814 HydrophobicContact CD1-CE1 4.03Å |
| 732 | T | 91.6 | Very high | 80.2 | Confident | 22 Ų | 22 | 52.5 Ų | 52.5 | 14% | 0.135 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121.7 | 172.5 | -58.6 | 0 | 0 | 0 | 0 | 108.2 | T718 V779 | T718-T732 PolarHBondContact N-O 3.12Å; T718-T732 PolarHBondContact O-N 2.84Å; T718-T732 PolarHBondContact OG1-O 3.43Å; T732-V779 HydrophobicContact CG2-CG2 4.38Å |
| 733 | I | 93.7 | Very high | 81.6 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 146.5 | 174 | 88.1 | -179.3 | 0 | 0 | 0 | 109.3 | I715 D716 F717 F748 T777 Q778 I780 | I715-I733 HydrophobicContact CG2-CB 4.05Å; D716-I733 CarbonylContact O-C 3.37Å; D716-I733 WeakPolarHBondContact O-CA 3.46Å; F717-I733 HydrophobicContact CD1-CB 4.03Å; F717-I733 HydrophobicContact CD1-CG2 3.7Å; F717-I733 HydrophobicContact CE1-CB 4.05Å; F717-I733 HydrophobicContact CE1-CG2 3.47Å; F717-I733 VanDerWaalsContact CE1-CG2 3.47Å; F717-I733 HydrophobicContact CZ-CG2 4.48Å; I733-F748 HydrophobicContact CD1-CB 4Å; I733-F748 HydrophobicContact CD1-CD1 3.84Å; I733-F748 HydrophobicContact CD1-CD2 3.58Å; I733-F748 HydrophobicContact CD1-CE1 4.19Å; I733-F748 HydrophobicContact CD1-CE2 3.95Å; I733-F748 HydrophobicContact CD1-CG 3.54Å; I733-F748 HydrophobicContact CD1-CZ 4.25Å; I733-F748 HydrophobicContact CG2-CE1 4.38Å; I733-F748 HydrophobicContact CG2-CE2 4.47Å; I733-F748 HydrophobicContact CG2-CZ 4.11Å; I733-T777 VanDerWaalsContact O-CA 3.31Å; I733-T777 WeakPolarHBondContact O-CA 3.3Å; I733-Q778 HydrophobicContact CD1-CB 3.8Å; I733-Q778 HydrophobicContact CG1-CB 3.83Å; I733-Q778 PolarHBondContact N-O 3.3Å; I733-Q778 PolarHBondContact O-N 3.49Å; I733-I780 HydrophobicContact CG2-CD1 3.82Å; I733-I780 HydrophobicContact CG2-CG1 4.07Å |
| 734 | H | 92.8 | Very high | 83.3 | Confident | 52 Ų | 52 | 46.4 Ų | 46.4 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 104.6 | 171.7 | -57 | -98.4 | 0 | 0 | 0 | 108.2 | I715 D716 T718 | I715-H734 WeakPolarHBondContact CA-O 3.4Å; D716-H734 PolarHBondContact N-O 3.29Å; D716-H734 PolarHBondContact O-N 3.08Å; T718-H734 PolarHBondContact OG1-NE2 3.42Å |
| 735 | A | 91.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L713 K714 I715 F746 T775 V776 | L713-A735 HydrophobicContact CD1-CB 4.41Å; K714-A735 CarbonylContact O-C 3.59Å; K714-A735 WeakPolarHBondContact O-CA 3.12Å; I715-A735 HydrophobicContact CG1-CB 4.13Å; A735-F746 HydrophobicContact CB-CE1 4.14Å; A735-F746 HydrophobicContact CB-CE2 4.44Å; A735-F746 HydrophobicContact CB-CZ 3.81Å; A735-T775 WeakPolarHBondContact O-CA 3.47Å; A735-V776 HydrophobicContact CB-CB 4.32Å; A735-V776 PolarHBondContact N-O 3.05Å; A735-V776 PolarHBondContact O-N 3.47Å |
| 736 | T | 92.1 | Very high | 86.2 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 14% | 0.135 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 143.8 | -178.9 | 40.9 | 0 | 0 | 0 | 0 | 110.5 | L713 K714 T775 | L713-T736 WeakPolarHBondContact CA-O 3.42Å; K714-T736 PolarHBondContact N-O 3Å; K714-T736 PolarHBondContact O-N 3.18Å; K714-T736 PolarHBondContact O-OG1 3.31Å; T736-T775 HydrophobicContact CG2-CG2 3.68Å |
| 737 | N | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 112.8 | -178.8 | 163.3 | 23.8 | 0 | 0 | 0 | 109.3 | G712 T739 A741 M743 V768 P769 L771 N772 | G712-N737 WeakPolarHBondContact O-CA 3.43Å; N737-T739 VanDerWaalsContact C-N 3.34Å; N737-T739 WeakPolarHBondContact OD1-CB 3.09Å; N737-T739 PolarHBondContact OD1-N 3.31Å; N737-T739 PolarHBondContact OD1-OG1 2.81Å; N737-A741 PolarHBondContact ND2-O 3.24Å; N737-M743 HydrophobicContact CB-CE 4.34Å; N737-M743 HydrophobicContact CB-SD 4.02Å; N737-M743 WeakPolarHBondContact OD1-CE 2.94Å; N737-V768 HydrophobicContact CB-CB 4.19Å; N737-V768 HydrophobicContact CB-CG1 3.65Å; N737-V768 PolarHBondContact ND2-O 3.15Å; N737-P769 WeakPolarHBondContact CB-O 3.39Å; N737-P769 PolarHBondContact ND2-O 3.25Å; N737-L771 PolarHBondContact O-N 3.24Å; N737-N772 PolarHBondContact O-N 3.19Å |
| 738 | S | 88.6 | Confident | 88.3 | Confident | 66 Ų | 66 | 37.3 Ų | 37.3 | 46% | 0.462 | 21% | 0.207 | S | C | . | . | trans | -87.5 | 0.5 | -178.5 | 63.8 | 0 | 0 | 0 | 0 | 114.1 | G712 | G712-S738 WeakPolarHBondContact CA-OG 3.47Å; G712-S738 PolarHBondContact O-N 3.17Å; G712-S738 PolarHBondContact O-OG 3.01Å | ||
| 739 | T | 87.5 | Confident | 88.8 | Confident | 28 Ų | 28 | 39.9 Ų | 39.9 | 17% | 0.172 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -85.9 | 161.9 | 179.9 | 78.7 | 0 | 0 | 0 | 0 | 112.2 | N737 A741 M743 A770 L771 H800 | N737-T739 VanDerWaalsContact C-N 3.34Å; N737-T739 WeakPolarHBondContact OD1-CB 3.09Å; N737-T739 PolarHBondContact OD1-N 3.31Å; N737-T739 PolarHBondContact OD1-OG1 2.81Å; T739-A741 PolarHBondContact O-N 3.23Å; T739-A741 PolarHBondContact OG1-O 2.92Å; T739-M743 HydrophobicContact CG2-CE 4.33Å; T739-A770 WeakPolarHBondContact O-CA 3.23Å; T739-A770 WeakPolarHBondContact O-CB 3.5Å; T739-L771 PolarHBondContact O-N 3.01Å; T739-H800 PolarHBondContact OG1-NE2 3.15Å |
| 740 | E | 82.9 | Confident | 89.2 | Confident | 161 Ų | 161 | 40.2 Ų | 40.2 | 75% | 0.752 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -71.6 | -5.7 | 179 | -58 | 169.4 | 147.8 | 0 | 0 | 114.4 | L771 | E740-L771 HydrophobicContact CG-CD2 4.21Š|
| 741 | A | 83.4 | Confident | 89.2 | Confident | 27 Ų | 27 | 41.6 Ų | 41.6 | 22% | 0.223 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -125.3 | 139.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | N737 T739 K801 | N737-A741 PolarHBondContact ND2-O 3.24Å; T739-A741 PolarHBondContact O-N 3.23Å; T739-A741 PolarHBondContact OG1-O 2.92Å; A741-K801 HydrophobicContact CB-CG 3.94Å |
| 742 | E | 86.6 | Confident | 89.1 | Confident | 102 Ų | 102 | 43.1 Ų | 43.1 | 48% | 0.477 | 24% | 0.244 | S | C | . | . | trans | -64.9 | 153.8 | 178.8 | -54.5 | -175.2 | 143.1 | 0 | 0 | 111.4 | L767 A770 | E742-L767 HydrophobicContact CB-CD1 3.93Å; E742-A770 HydrophobicContact CG-CB 4.15Å | ||
| 743 | M | 88 | Confident | 88.7 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 111.7 | 173 | -66 | 173 | 178.5 | 0 | 0 | 108.5 | L713 N737 T739 L767 V768 Y798 T799 H800 | L713-M743 HydrophobicContact CB-CE 4.05Å; L713-M743 HydrophobicContact CB-SD 4.02Å; L713-M743 HydrophobicContact CD1-SD 4.12Å; L713-M743 HydrophobicContact CG-SD 4.47Å; N737-M743 HydrophobicContact CB-CE 4.34Å; N737-M743 HydrophobicContact CB-SD 4.02Å; N737-M743 WeakPolarHBondContact OD1-CE 2.94Å; T739-M743 HydrophobicContact CG2-CE 4.33Å; M743-L767 WeakPolarHBondContact O-CA 3.38Å; M743-V768 HydrophobicContact CB-CB 4.2Å; M743-V768 HydrophobicContact CB-CG2 4.41Å; M743-V768 PolarHBondContact N-O 3.22Å; M743-V768 VanDerWaalsContact N-O 3.09Å; M743-V768 PolarHBondContact O-N 2.88Å; M743-Y798 HydrophobicContact CB-CD2 4.02Å; M743-Y798 HydrophobicContact CE-CD2 4.45Å; M743-Y798 HydrophobicContact CE-CE2 3.85Å; M743-Y798 HydrophobicContact CG-CD2 3.79Å; M743-Y798 HydrophobicContact CG-CE2 4.14Å; M743-Y798 HydrophobicContact SD-CD2 3.74Å; M743-Y798 HydrophobicContact SD-CE2 3.68Å; M743-Y798 HydrophobicContact SD-CG 4.47Å; M743-T799 WeakPolarHBondContact CA-O 3.41Å; M743-H800 HydrophobicContact CG-CB 4.49Å |
| 744 | T | 87.6 | Confident | 88 | Confident | 56 Ų | 56 | 53.9 Ų | 53.9 | 34% | 0.344 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 166.1 | 177.6 | 66 | 0 | 0 | 0 | 0 | 110.9 | F746 L767 T799 | T744-F746 PolarHBondContact O-N 3.32Å; T744-F746 VanDerWaalsContact O-N 3.15Å; T744-L767 HydrophobicContact CG2-CD1 3.7Å; T744-T799 PolarHBondContact N-O 3.17Å; T744-T799 VanDerWaalsContact N-O 3.09Å; T744-T799 PolarHBondContact O-N 3.27Å; T744-T799 WeakPolarHBondContact OG1-CB 3.39Å |
| 745 | D | 87.1 | Confident | 87.3 | Confident | 87 Ų | 87 | 53.7 Ų | 53.7 | 47% | 0.465 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.8 | 34 | 174.4 | -45.9 | -62.8 | 0 | 0 | 0 | 113.3 | V747 N766 T799 | D745-V747 PolarHBondContact O-N 3.45Å; D745-N766 PolarHBondContact N-O 2.83Å; D745-N766 VanDerWaalsContact N-O 3.09Å; D745-T799 PolarHBondContact OD2-OG1 2.69Å |
| 746 | F | 90 | Very high | 86.8 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 2% | 0.022 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 113.8 | -179 | 178 | -99.9 | 0 | 0 | 0 | 110.8 | L713 I715 A735 T744 F748 N766 V768 V776 T797 | L713-F746 HydrophobicContact CD1-CE2 4.31Å; L713-F746 HydrophobicContact CD2-CE2 4.1Å; I715-F746 HydrophobicContact CD1-CZ 4.31Å; A735-F746 HydrophobicContact CB-CE1 4.14Å; A735-F746 HydrophobicContact CB-CE2 4.44Å; A735-F746 HydrophobicContact CB-CZ 3.81Å; T744-F746 PolarHBondContact O-N 3.32Å; T744-F746 VanDerWaalsContact O-N 3.15Å; F746-F748 HydrophobicContact CE1-CB 4.06Å; F746-F748 HydrophobicContact CZ-CB 4.02Å; F746-N766 PolarHBondContact N-O 3.09Å; F746-V768 HydrophobicContact CB-CG2 3.84Å; F746-V768 HydrophobicContact CD1-CG2 4.15Å; F746-V768 HydrophobicContact CD2-CG2 3.85Å; F746-V768 HydrophobicContact CE2-CG2 4.49Å; F746-V768 HydrophobicContact CG-CG2 3.66Å; F746-V776 HydrophobicContact CD1-CG1 4.18Å; F746-V776 HydrophobicContact CE1-CG1 4.32Å; F746-T797 WeakPolarHBondContact CA-O 3.43Å |
| 747 | V | 89 | Confident | 86.4 | Confident | 72 Ų | 72 | 59.8 Ų | 59.8 | 44% | 0.436 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 116.9 | 175.1 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | D745 Q749 T797 | D745-V747 PolarHBondContact O-N 3.45Å; V747-Q749 HydrophobicContact CG1-CG 4.07Å; V747-T797 PolarHBondContact N-O 2.85Å; V747-T797 PolarHBondContact O-N 3.32Å |
| 748 | F | 92.1 | Very high | 86.3 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 133.1 | 168.9 | 174.4 | -82.5 | 0 | 0 | 0 | 109.7 | I715 F717 I733 F746 A750 L760 I780 I794 L796 | I715-F748 HydrophobicContact CD1-CD2 4.14Å; I715-F748 HydrophobicContact CD1-CE2 4.47Å; F717-F748 HydrophobicContact CE1-CE2 4.4Å; F717-F748 HydrophobicContact CE1-CZ 4.32Å; F717-F748 HydrophobicContact CZ-CZ 4.31Å; I733-F748 HydrophobicContact CD1-CB 4Å; I733-F748 HydrophobicContact CD1-CD1 3.84Å; I733-F748 HydrophobicContact CD1-CD2 3.58Å; I733-F748 HydrophobicContact CD1-CE1 4.19Å; I733-F748 HydrophobicContact CD1-CE2 3.95Å; I733-F748 HydrophobicContact CD1-CG 3.54Å; I733-F748 HydrophobicContact CD1-CZ 4.25Å; I733-F748 HydrophobicContact CG2-CE1 4.38Å; I733-F748 HydrophobicContact CG2-CE2 4.47Å; I733-F748 HydrophobicContact CG2-CZ 4.11Å; F746-F748 HydrophobicContact CE1-CB 4.06Å; F746-F748 HydrophobicContact CZ-CB 4.02Å; F748-A750 HydrophobicContact CE1-CB 3.81Å; F748-A750 HydrophobicContact CZ-CB 4.16Å; F748-L760 HydrophobicContact CD1-CD1 4.13Å; F748-L760 HydrophobicContact CE1-CD1 4.11Å; F748-I780 HydrophobicContact CE1-CD1 3.71Å; F748-I780 HydrophobicContact CE1-CG1 4.4Å; F748-I780 HydrophobicContact CZ-CD1 3.89Å; F748-I794 HydrophobicContact CE2-CB 4.07Å; F748-I794 HydrophobicContact CE2-CD1 4.46Å; F748-I794 HydrophobicContact CE2-CG2 3.81Å; F748-I794 HydrophobicContact CZ-CB 4.32Å; F748-I794 HydrophobicContact CZ-CG2 3.66Å; F748-L796 HydrophobicContact CB-CD2 4.44Å; F748-L796 HydrophobicContact CD2-CD2 3.46Å; F748-L796 VanDerWaalsContact CD2-CD2 3.46Å; F748-L796 HydrophobicContact CE2-CD2 4.14Å; F748-L796 HydrophobicContact CG-CD2 4.32Å |
| 749 | Q | 89.4 | Confident | 86.2 | Confident | 99 Ų | 99 | 64.2 Ų | 64.2 | 46% | 0.463 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 145.8 | 173.5 | -62 | -178.3 | -35.6 | 0 | 0 | 109.4 | V747 I794 K795 | V747-Q749 HydrophobicContact CG1-CG 4.07Å; Q749-I794 CarbonylContact O-C 3.59Å; Q749-I794 WeakPolarHBondContact O-CA 3.32Å; Q749-K795 HydrophobicContact CB-CB 4.27Å; Q749-K795 PolarHBondContact N-O 2.92Å; Q749-K795 PolarHBondContact O-N 3.47Å |
| 750 | A | 90.6 | Very high | 86.1 | Confident | 22 Ų | 22 | 65.9 Ų | 65.9 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 142.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F748 L758 M792 R793 I794 | F748-A750 HydrophobicContact CE1-CB 3.81Å; F748-A750 HydrophobicContact CZ-CB 4.16Å; A750-L758 HydrophobicContact CB-CD1 3.88Å; A750-M792 HydrophobicContact CB-CG 4.05Å; A750-M792 HydrophobicContact CB-SD 3.76Å; A750-R793 CarbonylContact C-O 3.58Å; A750-R793 WeakPolarHBondContact CA-O 3.46Å; A750-I794 HydrophobicContact CB-CG2 4.44Å |
| 751 | A | 86.9 | Confident | 86.4 | Confident | 46 Ų | 46 | 61.2 Ų | 61.2 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 144.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | M792 R793 | A751-M792 CarbonylContact O-C 3.56Å; A751-M792 WeakPolarHBondContact O-CA 3.1Å; A751-R793 PolarHBondContact N-O 3.44Å; A751-R793 PolarHBondContact O-N 3.1Å |
| 752 | V | 87.6 | Confident | 86.4 | Confident | 34 Ų | 34 | 65 Ų | 65 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | trans | -131.5 | 161.1 | -178.9 | -67.7 | 0 | 0 | 0 | 0 | 109.9 | F756 L758 L790 M792 | V752-F756 HydrophobicContact CB-CB 4.08Å; V752-F756 HydrophobicContact CG2-CB 3.71Å; V752-L758 HydrophobicContact CG1-CD1 3.77Å; V752-L758 HydrophobicContact CG2-CB 3.75Å; V752-L758 HydrophobicContact CG2-CD1 4.29Å; V752-L790 HydrophobicContact CG1-CD1 4Å; V752-M792 HydrophobicContact CG1-CB 4.31Å; V752-M792 HydrophobicContact CG1-CE 4.21Å; V752-M792 HydrophobicContact CG1-CG 4.22Å | ||
| 753 | P | 83.6 | Confident | 86.4 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 28% | 0.279 | 34% | 0.343 | S | S | . | . | trans | -58.2 | 154.8 | 174.7 | -23.9 | 33.6 | 0 | 0 | 0 | 112.9 | T755 F756 R791 | P753-T755 PolarHBondContact O-N 3.34Å; P753-F756 HydrophobicContact CB-CD2 4.09Å; P753-F756 HydrophobicContact CB-CE2 4.37Å; P753-F756 HydrophobicContact CG-CD2 4.22Å; P753-F756 HydrophobicContact CG-CE2 4.23Å; P753-F756 PolarHBondContact O-N 3.17Å; P753-R791 VanDerWaalsContact CD-O 3.27Å; P753-R791 WeakPolarHBondContact CD-O 3.44Å | ||
| 754 | K | 79.2 | Confident | 86.4 | Confident | 205 Ų | 205 | 66.3 Ų | 66.3 | 89% | 0.891 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -11 | -178.1 | -63.5 | -179.9 | -178.1 | 171.2 | 0 | 115 | F756 | K754-F756 VanDerWaalsContact C-N 3.31Š|
| 755 | T | 77.1 | Confident | 86.4 | Confident | 48 Ų | 48 | 65.7 Ų | 65.7 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -10.6 | 173.4 | 48.3 | 0 | 0 | 0 | 0 | 113.7 | P753 P785 Q786 Q788 | P753-T755 PolarHBondContact O-N 3.34Å; T755-P785 WeakPolarHBondContact O-CD 3.46Å; T755-Q786 VanDerWaalsContact CG2-OE1 3.31Å; T755-Q788 PolarHBondContact OG1-OE1 3.33Å; T755-Q788 VanDerWaalsContact OG1-OE1 3.09Å |
| 756 | F | 82.6 | Confident | 86.3 | Confident | 14 Ų | 14 | 66.4 Ų | 66.4 | 6% | 0.061 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -113.3 | 153.7 | 176.8 | -58.8 | -100.2 | 0 | 0 | 0 | 110.4 | V752 P753 K754 V782 L783 N784 Q788 L790 | V752-F756 HydrophobicContact CB-CB 4.08Å; V752-F756 HydrophobicContact CG2-CB 3.71Å; P753-F756 HydrophobicContact CB-CD2 4.09Å; P753-F756 HydrophobicContact CB-CE2 4.37Å; P753-F756 HydrophobicContact CG-CD2 4.22Å; P753-F756 HydrophobicContact CG-CE2 4.23Å; P753-F756 PolarHBondContact O-N 3.17Å; K754-F756 VanDerWaalsContact C-N 3.31Å; F756-V782 HydrophobicContact CB-CG1 4.22Å; F756-V782 HydrophobicContact CD1-CG1 3.96Å; F756-L783 WeakPolarHBondContact CA-O 3.19Å; F756-N784 HydrophobicContact CD1-CB 3.95Å; F756-N784 HydrophobicContact CE1-CB 3.92Å; F756-N784 VanDerWaalsContact CE1-CG 3.41Å; F756-N784 WeakPolarHBondContact CE1-OD1 3.44Å; F756-Q788 HydrophobicContact CE2-CB 4.44Å; F756-Q788 HydrophobicContact CZ-CB 3.94Å; F756-L790 HydrophobicContact CD1-CD1 3.85Å; F756-L790 HydrophobicContact CE1-CB 4.26Å; F756-L790 HydrophobicContact CE1-CD1 3.78Å; F756-L790 HydrophobicContact CG-CD1 4.37Å; F756-L790 HydrophobicContact CZ-CD1 4.27Å |
| 757 | Q | 83.3 | Confident | 86.2 | Confident | 136 Ų | 136 | 68.7 Ų | 68.7 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.6 | 165.8 | -56.9 | 179.8 | -1.4 | 0 | 0 | 109.3 | V782 L783 | Q757-V782 CarbonylContact O-C 3.49Å; Q757-V782 WeakPolarHBondContact O-CA 3.41Å; Q757-L783 HydrophobicContact CB-CB 4.18Å; Q757-L783 HydrophobicContact CB-CD2 4.49Å; Q757-L783 HydrophobicContact CG-CD2 4.44Å; Q757-L783 PolarHBondContact N-O 2.91Å; Q757-L783 VanDerWaalsContact N-O 3.15Å; Q757-L783 PolarHBondContact O-N 3.14Å |
| 758 | L | 88.6 | Confident | 86.1 | Confident | 54 Ų | 54 | 65.3 Ų | 65.3 | 28% | 0.283 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.3 | -178.8 | -178.9 | 149.8 | 0 | 0 | 0 | 110.5 | A750 V752 L760 I780 R781 V782 M792 | A750-L758 HydrophobicContact CB-CD1 3.88Å; V752-L758 HydrophobicContact CG1-CD1 3.77Å; V752-L758 HydrophobicContact CG2-CB 3.75Å; V752-L758 HydrophobicContact CG2-CD1 4.29Å; L758-L760 HydrophobicContact CD2-CB 4.26Å; L758-I780 HydrophobicContact CD1-CG2 3.71Å; L758-I780 HydrophobicContact CD2-CG2 4.15Å; L758-I780 HydrophobicContact CG-CG2 3.7Å; L758-R781 WeakPolarHBondContact CA-O 3.36Å; L758-V782 HydrophobicContact CD1-CG2 4.28Å; L758-V782 HydrophobicContact CG-CG2 4.45Å; L758-M792 HydrophobicContact CD1-CE 4.08Å |
| 759 | Q | 86.6 | Confident | 85.9 | Confident | 105 Ų | 105 | 66.7 Ų | 66.7 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.7 | 168.9 | -178.7 | -176.7 | 39.8 | 0 | 0 | 108.7 | L761 R781 | Q759-L761 HydrophobicContact CG-CD2 4.27Å; Q759-R781 HydrophobicContact CB-CB 4.35Å; Q759-R781 PolarHBondContact N-O 2.57Å; Q759-R781 PolarHBondContact O-N 2.95Å |
| 760 | L | 87 | Confident | 85.7 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 33% | 0.33 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.2 | 175.1 | -165.3 | 71.3 | 0 | 0 | 0 | 108.8 | F748 L758 Q778 I780 | F748-L760 HydrophobicContact CD1-CD1 4.13Å; F748-L760 HydrophobicContact CE1-CD1 4.11Å; L758-L760 HydrophobicContact CD2-CB 4.26Å; L760-Q778 HydrophobicContact CD1-CG 4.38Å; L760-I780 HydrophobicContact CD1-CB 4.43Å; L760-I780 HydrophobicContact CD1-CG1 3.87Å; L760-I780 HydrophobicContact CD1-CG2 4.29Å |
| 761 | L | 88 | Confident | 85.3 | Confident | 64 Ų | 64 | 66 Ų | 66 | 34% | 0.335 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 164.8 | 171.8 | -56.7 | -171.7 | 0 | 0 | 0 | 110.4 | Q759 Q778 V779 | Q759-L761 HydrophobicContact CG-CD2 4.27Å; L761-Q778 WeakPolarHBondContact O-CG 3.46Å; L761-Q778 PolarHBondContact O-NE2 2.89Å; L761-V779 HydrophobicContact CB-CB 4.39Å; L761-V779 WeakPolarHBondContact CB-O 3.27Å; L761-V779 HydrophobicContact CD1-CB 4.1Å; L761-V779 HydrophobicContact CD1-CG1 4.17Å; L761-V779 HydrophobicContact CG-CB 4.43Å; L761-V779 PolarHBondContact N-O 3.43Å |
| 762 | S | 83.2 | Confident | 85.2 | Confident | 107 Ų | 107 | 68 Ų | 68 | 75% | 0.748 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 143.9 | 177.2 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 763 | P | 87.9 | Confident | 84.9 | Confident | 53 Ų | 53 | 73.8 Ų | 73.8 | 34% | 0.344 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 159 | 173.1 | 33.1 | -35 | 0 | 0 | 0 | 111.1 | S765 V776 T777 Q778 | P763-S765 VanDerWaalsContact C-N 3.27Å; P763-S765 PolarHBondContact O-N 3.42Å; P763-V776 HydrophobicContact CB-CG1 4.32Å; P763-T777 CarbonylContact C-O 3.56Å; P763-T777 WeakPolarHBondContact CA-O 3.4Å; P763-Q778 HydrophobicContact CB-CB 4.14Å; P763-Q778 HydrophobicContact CB-CG 4.08Å |
| 764 | S | 87.4 | Confident | 84.7 | Confident | 76 Ų | 76 | 72.9 Ų | 72.9 | 53% | 0.531 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -70.7 | -20.5 | 176.7 | 62.7 | 0 | 0 | 0 | 0 | 114.1 | T777 | S764-T777 PolarHBondContact N-O 2.7Å; S764-T777 PolarHBondContact OG-N 2.92Å; S764-T777 PolarHBondContact OG-O 3.23Å; S764-T777 PolarHBondContact OG-OG1 2.96Å |
| 765 | S | 86.3 | Confident | 85.1 | Confident | 43 Ų | 43 | 66.7 Ų | 66.7 | 30% | 0.301 | 38% | 0.376 | S | S | . | . | trans | -160.8 | 156.4 | -178.6 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | P763 L767 V776 | P763-S765 VanDerWaalsContact C-N 3.27Å; P763-S765 PolarHBondContact O-N 3.42Å; S765-L767 PolarHBondContact OG-N 3.21Å; S765-L767 PolarHBondContact OG-O 3.01Å; S765-V776 VanDerWaalsContact O-CG1 3.27Å; S765-V776 WeakPolarHBondContact O-CG1 3.37Å | ||
| 766 | N | 86.4 | Confident | 85.7 | Confident | 101 Ų | 101 | 64.6 Ų | 64.6 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -100.4 | 4.8 | 166.9 | 67.1 | -38.8 | 0 | 0 | 0 | 113 | D745 F746 | D745-N766 PolarHBondContact N-O 2.83Å; D745-N766 VanDerWaalsContact N-O 3.09Å; F746-N766 PolarHBondContact N-O 3.09Å |
| 767 | L | 87.1 | Confident | 86.2 | Confident | 54 Ų | 54 | 66.1 Ų | 66.1 | 28% | 0.283 | 37% | 0.373 | S | S | . | . | trans | -118.4 | 125.3 | 178.3 | -178.3 | 76.4 | 0 | 0 | 0 | 109.6 | E742 M743 T744 S765 V776 | E742-L767 HydrophobicContact CB-CD1 3.93Å; M743-L767 WeakPolarHBondContact O-CA 3.38Å; T744-L767 HydrophobicContact CG2-CD1 3.7Å; S765-L767 PolarHBondContact OG-N 3.21Å; S765-L767 PolarHBondContact OG-O 3.01Å; L767-V776 WeakPolarHBondContact O-CG2 3.5Å | ||
| 768 | V | 87.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -99.8 | 110.7 | 171.1 | -162.6 | 0 | 0 | 0 | 0 | 109.5 | N737 M743 F746 V776 | N737-V768 HydrophobicContact CB-CB 4.19Å; N737-V768 HydrophobicContact CB-CG1 3.65Å; N737-V768 PolarHBondContact ND2-O 3.15Å; M743-V768 HydrophobicContact CB-CB 4.2Å; M743-V768 HydrophobicContact CB-CG2 4.41Å; M743-V768 PolarHBondContact N-O 3.22Å; M743-V768 VanDerWaalsContact N-O 3.09Å; M743-V768 PolarHBondContact O-N 2.88Å; F746-V768 HydrophobicContact CB-CG2 3.84Å; F746-V768 HydrophobicContact CD1-CG2 4.15Å; F746-V768 HydrophobicContact CD2-CG2 3.85Å; F746-V768 HydrophobicContact CE2-CG2 4.49Å; F746-V768 HydrophobicContact CG-CG2 3.66Å; V768-V776 HydrophobicContact CB-CG2 4.19Å; V768-V776 HydrophobicContact CG1-CG2 4.29Å; V768-V776 HydrophobicContact CG2-CB 4.47Å; V768-V776 HydrophobicContact CG2-CG2 3.83Å |
| 769 | P | 87.8 | Confident | 86.7 | Confident | 33 Ų | 33 | 59.6 Ų | 59.6 | 21% | 0.214 | 34% | 0.344 | C | S | . | . | trans | -59.7 | 149.3 | -176.3 | -25.6 | 35.4 | 0 | 0 | 0 | 113.6 | N737 Q773 | N737-P769 WeakPolarHBondContact CB-O 3.39Å; N737-P769 PolarHBondContact ND2-O 3.25Å; P769-Q773 HydrophobicContact CB-CB 4.47Å | ||
| 770 | A | 85.4 | Confident | 86.9 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -65.4 | 164.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T739 E742 N772 Q773 | T739-A770 WeakPolarHBondContact O-CA 3.23Å; T739-A770 WeakPolarHBondContact O-CB 3.5Å; E742-A770 HydrophobicContact CG-CB 4.15Å; A770-N772 PolarHBondContact O-N 3.3Å; A770-Q773 WeakPolarHBondContact O-CB 3.16Å; A770-Q773 WeakPolarHBondContact O-CG 3.29Å; A770-Q773 PolarHBondContact O-N 2.83Å |
| 771 | L | 83.1 | Confident | 87 | Confident | 94 Ų | 94 | 57.3 Ų | 57.3 | 49% | 0.492 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | 54.4 | 26.3 | 168.6 | -59.3 | 172.2 | 0 | 0 | 0 | 115 | N737 T739 E740 Q773 | N737-L771 PolarHBondContact O-N 3.24Å; T739-L771 PolarHBondContact O-N 3.01Å; E740-L771 HydrophobicContact CG-CD2 4.21Å; L771-Q773 HydrophobicContact CB-CG 4.2Å; L771-Q773 PolarHBondContact O-N 3.35Å |
| 772 | N | 85.2 | Confident | 86.9 | Confident | 88 Ų | 88 | 54.4 Ų | 54.4 | 47% | 0.471 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | 56.8 | 26.3 | -172.6 | -44.1 | -75.1 | 0 | 0 | 0 | 114.7 | N737 A770 G774 | N737-N772 PolarHBondContact O-N 3.19Å; A770-N772 PolarHBondContact O-N 3.3Å; N772-G774 PolarHBondContact O-N 3.01Å |
| 773 | Q | 79.3 | Confident | 87 | Confident | 157 Ų | 157 | 51.5 Ų | 51.5 | 73% | 0.734 | 29% | 0.287 | S | S | * | . | trans | -71.8 | -5.1 | -177.2 | -66.9 | -177.5 | 6.2 | 0 | 0 | 114.5 | P769 A770 L771 | P769-Q773 HydrophobicContact CB-CB 4.47Å; A770-Q773 WeakPolarHBondContact O-CB 3.16Å; A770-Q773 WeakPolarHBondContact O-CG 3.29Å; A770-Q773 PolarHBondContact O-N 2.83Å; L771-Q773 HydrophobicContact CB-CG 4.2Å; L771-Q773 PolarHBondContact O-N 3.35Å | ||
| 774 | G | 80.3 | Confident | 86.8 | Confident | 24 Ų | 24 | 49.4 Ų | 49.4 | 25% | 0.247 | 27% | 0.273 | C | S | . | . | trans | -165.6 | 169.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N772 | N772-G774 PolarHBondContact O-N 3.01Š| ||
| 775 | T | 87.9 | Confident | 86.2 | Confident | 75 Ų | 75 | 49.3 Ų | 49.3 | 46% | 0.46 | 27% | 0.271 | S | S | . | . | trans | -115.7 | 143.3 | 174.4 | 69.7 | 0 | 0 | 0 | 0 | 110.5 | A735 T736 | A735-T775 WeakPolarHBondContact O-CA 3.47Å; T736-T775 HydrophobicContact CG2-CG2 3.68Å | ||
| 776 | V | 89.8 | Confident | 85.6 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 130.7 | 163.8 | 179.8 | 0 | 0 | 0 | 0 | 108 | A735 F746 P763 S765 L767 V768 | A735-V776 HydrophobicContact CB-CB 4.32Å; A735-V776 PolarHBondContact N-O 3.05Å; A735-V776 PolarHBondContact O-N 3.47Å; F746-V776 HydrophobicContact CD1-CG1 4.18Å; F746-V776 HydrophobicContact CE1-CG1 4.32Å; P763-V776 HydrophobicContact CB-CG1 4.32Å; S765-V776 VanDerWaalsContact O-CG1 3.27Å; S765-V776 WeakPolarHBondContact O-CG1 3.37Å; L767-V776 WeakPolarHBondContact O-CG2 3.5Å; V768-V776 HydrophobicContact CB-CG2 4.19Å; V768-V776 HydrophobicContact CG1-CG2 4.29Å; V768-V776 HydrophobicContact CG2-CB 4.47Å; V768-V776 HydrophobicContact CG2-CG2 3.83Å |
| 777 | T | 92.4 | Very high | 84.9 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 28% | 0.282 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 142.1 | -176.3 | 52.1 | 0 | 0 | 0 | 0 | 111.1 | I733 P763 S764 | I733-T777 VanDerWaalsContact O-CA 3.31Å; I733-T777 WeakPolarHBondContact O-CA 3.3Å; P763-T777 CarbonylContact C-O 3.56Å; P763-T777 WeakPolarHBondContact CA-O 3.4Å; S764-T777 PolarHBondContact N-O 2.7Å; S764-T777 PolarHBondContact OG-N 2.92Å; S764-T777 PolarHBondContact OG-O 3.23Å; S764-T777 PolarHBondContact OG-OG1 2.96Å |
| 778 | Q | 91.1 | Very high | 84.4 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 139.9 | 176.9 | -166.1 | 173.6 | 13.6 | 0 | 0 | 109.3 | I733 L760 L761 P763 | I733-Q778 HydrophobicContact CD1-CB 3.8Å; I733-Q778 HydrophobicContact CG1-CB 3.83Å; I733-Q778 PolarHBondContact N-O 3.3Å; I733-Q778 PolarHBondContact O-N 3.49Å; L760-Q778 HydrophobicContact CD1-CG 4.38Å; L761-Q778 WeakPolarHBondContact O-CG 3.46Å; L761-Q778 PolarHBondContact O-NE2 2.89Å; P763-Q778 HydrophobicContact CB-CB 4.14Å; P763-Q778 HydrophobicContact CB-CG 4.08Å |
| 779 | V | 91.3 | Very high | 84 | Confident | 41 Ų | 41 | 58.6 Ų | 58.6 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.4 | -175.5 | 179 | 0 | 0 | 0 | 0 | 110.1 | V730 T732 L761 | V730-V779 HydrophobicContact CG1-CG1 3.64Å; T732-V779 HydrophobicContact CG2-CG2 4.38Å; L761-V779 HydrophobicContact CB-CB 4.39Å; L761-V779 WeakPolarHBondContact CB-O 3.27Å; L761-V779 HydrophobicContact CD1-CB 4.1Å; L761-V779 HydrophobicContact CD1-CG1 4.17Å; L761-V779 HydrophobicContact CG-CB 4.43Å; L761-V779 PolarHBondContact N-O 3.43Å |
| 780 | I | 90.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.8 | 171.2 | -33.9 | 179.5 | 0 | 0 | 0 | 107.8 | I731 I733 F748 L758 L760 V782 M792 | I731-I780 HydrophobicContact CB-CB 4.24Å; I731-I780 HydrophobicContact CB-CG1 4.5Å; I731-I780 PolarHBondContact N-O 3.26Å; I731-I780 PolarHBondContact O-N 3.46Å; I733-I780 HydrophobicContact CG2-CD1 3.82Å; I733-I780 HydrophobicContact CG2-CG1 4.07Å; F748-I780 HydrophobicContact CE1-CD1 3.71Å; F748-I780 HydrophobicContact CE1-CG1 4.4Å; F748-I780 HydrophobicContact CZ-CD1 3.89Å; L758-I780 HydrophobicContact CD1-CG2 3.71Å; L758-I780 HydrophobicContact CD2-CG2 4.15Å; L758-I780 HydrophobicContact CG-CG2 3.7Å; L760-I780 HydrophobicContact CD1-CB 4.43Å; L760-I780 HydrophobicContact CD1-CG1 3.87Å; L760-I780 HydrophobicContact CD1-CG2 4.29Å; I780-V782 HydrophobicContact CG2-CG2 3.98Å; I780-M792 HydrophobicContact CD1-CE 4.07Å; I780-M792 HydrophobicContact CD1-SD 4.03Å; I780-M792 HydrophobicContact CG2-CE 4.47Å |
| 781 | R | 88.7 | Confident | 83.8 | Confident | 120 Ų | 120 | 62.5 Ų | 62.5 | 45% | 0.453 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127 | 166.8 | -67.4 | 177.8 | 172.3 | -178.7 | -4.2 | 108.5 | I728 L758 Q759 | I728-R781 HydrophobicContact CG2-CB 4.4Å; L758-R781 WeakPolarHBondContact CA-O 3.36Å; Q759-R781 HydrophobicContact CB-CB 4.35Å; Q759-R781 PolarHBondContact N-O 2.57Å; Q759-R781 PolarHBondContact O-N 2.95Å |
| 782 | V | 87.4 | Confident | 84 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 117.6 | 179.2 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | I728 A729 I731 F756 Q757 L758 I780 L790 M792 | I728-V782 WeakPolarHBondContact CA-O 3.45Å; A729-V782 PolarHBondContact N-O 3.3Å; A729-V782 PolarHBondContact O-N 2.93Å; I731-V782 HydrophobicContact CD1-CG2 4.1Å; F756-V782 HydrophobicContact CB-CG1 4.22Å; F756-V782 HydrophobicContact CD1-CG1 3.96Å; Q757-V782 CarbonylContact O-C 3.49Å; Q757-V782 WeakPolarHBondContact O-CA 3.41Å; L758-V782 HydrophobicContact CD1-CG2 4.28Å; L758-V782 HydrophobicContact CG-CG2 4.45Å; I780-V782 HydrophobicContact CG2-CG2 3.98Å; V782-L790 HydrophobicContact CG1-CD1 3.95Å; V782-M792 HydrophobicContact CG2-CE 4.18Å |
| 783 | L | 85.3 | Confident | 84.2 | Confident | 46 Ų | 46 | 58 Ų | 58 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 123.3 | 172.1 | -177.5 | 72.7 | 0 | 0 | 0 | 108.9 | N727 I728 F756 Q757 P785 | N727-L783 HydrophobicContact CB-CD1 4.13Å; N727-L783 WeakPolarHBondContact O-CA 3.27Å; I728-L783 HydrophobicContact CD1-CD1 4.3Å; I728-L783 HydrophobicContact CG1-CD1 3.55Å; F756-L783 WeakPolarHBondContact CA-O 3.19Å; Q757-L783 HydrophobicContact CB-CB 4.18Å; Q757-L783 HydrophobicContact CB-CD2 4.49Å; Q757-L783 HydrophobicContact CG-CD2 4.44Å; Q757-L783 PolarHBondContact N-O 2.91Å; Q757-L783 VanDerWaalsContact N-O 3.15Å; Q757-L783 PolarHBondContact O-N 3.14Å; L783-P785 WeakPolarHBondContact O-CD 3.36Å |
| 784 | N | 82.5 | Confident | 84.8 | Confident | 9 Ų | 9 | 50.5 Ų | 50.5 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | trans | -117 | 76.7 | 178.7 | -174 | 9.2 | 0 | 0 | 0 | 110.5 | N727 F756 Q786 K787 Q788 W819 | N727-N784 PolarHBondContact O-N 3.03Å; F756-N784 HydrophobicContact CD1-CB 3.95Å; F756-N784 HydrophobicContact CE1-CB 3.92Å; F756-N784 VanDerWaalsContact CE1-CG 3.41Å; F756-N784 WeakPolarHBondContact CE1-OD1 3.44Å; N784-Q786 PolarHBondContact O-N 3.04Å; N784-K787 WeakPolarHBondContact ND2-CA 3.42Å; N784-K787 PolarHBondContact O-N 2.81Å; N784-K787 PolarHBondContact OD1-N 2.95Å; N784-K787 VanDerWaalsContact OD1-N 3.16Å; N784-Q788 PolarHBondContact ND2-N 2.94Å; N784-Q788 PolarHBondContact ND2-O 2.61Å; N784-Q788 PolarHBondContact OD1-N 3.42Å; N784-W819 PolarHBondContact ND2-O 2.85Å | ||
| 785 | P | 75.4 | Confident | 85.3 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -14.9 | -174.5 | 30.4 | -34.7 | 0 | 0 | 0 | 113.3 | T755 L783 | T755-P785 WeakPolarHBondContact O-CD 3.46Å; L783-P785 WeakPolarHBondContact O-CD 3.36Å |
| 786 | Q | 72.6 | Confident | 85.5 | Confident | 111 Ų | 111 | 48.3 Ų | 48.3 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 6.6 | -177.3 | -64.2 | -176.4 | -9.7 | 0 | 0 | 113.3 | T755 N784 Q788 | T755-Q786 VanDerWaalsContact CG2-OE1 3.31Å; N784-Q786 PolarHBondContact O-N 3.04Å; Q786-Q788 HydrophobicContact CB-CG 4.04Å; Q786-Q788 PolarHBondContact O-N 3.48Å |
| 787 | K | 72 | Confident | 85.6 | Confident | 114 Ų | 114 | 50.1 Ų | 50.1 | 50% | 0.496 | 23% | 0.234 | S | C | . | . | trans | 46.9 | 34.3 | -175.5 | -64.5 | -160.4 | 171.3 | -148.1 | 0 | 114.6 | N784 W819 Q820 | N784-K787 WeakPolarHBondContact ND2-CA 3.42Å; N784-K787 PolarHBondContact O-N 2.81Å; N784-K787 PolarHBondContact OD1-N 2.95Å; N784-K787 VanDerWaalsContact OD1-N 3.16Å; K787-W819 WeakPolarHBondContact O-CZ3 3.39Å; K787-Q820 PolarHBondContact NZ-O 2.98Å | ||
| 788 | Q | 77 | Confident | 85.5 | Confident | 82 Ų | 82 | 48 Ų | 48 | 38% | 0.383 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -81 | 156.8 | 179.5 | -74.1 | 173 | 5.1 | 0 | 0 | 111.4 | T755 F756 N784 Q786 L790 W819 | T755-Q788 PolarHBondContact OG1-OE1 3.33Å; T755-Q788 VanDerWaalsContact OG1-OE1 3.09Å; F756-Q788 HydrophobicContact CE2-CB 4.44Å; F756-Q788 HydrophobicContact CZ-CB 3.94Å; N784-Q788 PolarHBondContact ND2-N 2.94Å; N784-Q788 PolarHBondContact ND2-O 2.61Å; N784-Q788 PolarHBondContact OD1-N 3.42Å; Q786-Q788 HydrophobicContact CB-CG 4.04Å; Q786-Q788 PolarHBondContact O-N 3.48Å; Q788-L790 PolarHBondContact O-N 2.98Å; Q788-L790 VanDerWaalsContact O-N 3.16Å; Q788-W819 VanDerWaalsContact O-CE3 3.29Å |
| 789 | Q | 79.9 | Confident | 85.3 | Confident | 86 Ų | 86 | 49.2 Ų | 49.2 | 40% | 0.402 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -58.9 | 118.1 | 174.1 | -175.3 | -167.6 | 20.9 | 0 | 0 | 110.2 | R791 N812 W819 | Q789-R791 PolarHBondContact O-N 2.86Å; Q789-N812 PolarHBondContact NE2-O 3.09Å; Q789-W819 HydrophobicContact CB-CH2 3.97Å; Q789-W819 HydrophobicContact CB-CZ2 3.91Å; Q789-W819 HydrophobicContact CB-CZ3 4.4Å; Q789-W819 HydrophobicContact CG-CH2 4.4Å; Q789-W819 HydrophobicContact CG-CZ2 3.84Å |
| 790 | L | 82.2 | Confident | 84.9 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 136.3 | 177 | -177.7 | 59.3 | 0 | 0 | 0 | 111.1 | I731 V752 F756 V782 Q788 F814 W819 | I731-L790 HydrophobicContact CD1-CD2 3.84Å; V752-L790 HydrophobicContact CG1-CD1 4Å; F756-L790 HydrophobicContact CD1-CD1 3.85Å; F756-L790 HydrophobicContact CE1-CB 4.26Å; F756-L790 HydrophobicContact CE1-CD1 3.78Å; F756-L790 HydrophobicContact CG-CD1 4.37Å; F756-L790 HydrophobicContact CZ-CD1 4.27Å; V782-L790 HydrophobicContact CG1-CD1 3.95Å; Q788-L790 PolarHBondContact O-N 2.98Å; Q788-L790 VanDerWaalsContact O-N 3.16Å; L790-F814 HydrophobicContact CB-CB 4.42Å; L790-F814 HydrophobicContact CB-CD2 3.99Å; L790-F814 HydrophobicContact CB-CE2 4.45Å; L790-F814 HydrophobicContact CB-CG 4.19Å; L790-F814 HydrophobicContact CD2-CD1 3.92Å; L790-F814 HydrophobicContact CD2-CD2 4.11Å; L790-F814 HydrophobicContact CD2-CE1 3.84Å; L790-F814 HydrophobicContact CD2-CE2 4.02Å; L790-F814 HydrophobicContact CD2-CG 4.05Å; L790-F814 HydrophobicContact CD2-CZ 3.89Å; L790-F814 HydrophobicContact CG-CD2 3.84Å; L790-F814 HydrophobicContact CG-CE2 3.81Å; L790-F814 HydrophobicContact CG-CG 4.2Å; L790-F814 HydrophobicContact CG-CZ 4.17Å; L790-F814 VanDerWaalsContact O-CD2 3.31Å; L790-F814 WeakPolarHBondContact O-CD2 3.33Å; L790-W819 HydrophobicContact CB-CB 4.35Å; L790-W819 HydrophobicContact CB-CG 4.37Å |
| 791 | R | 84.8 | Confident | 84.4 | Confident | 124 Ų | 124 | 55.9 Ų | 55.9 | 47% | 0.468 | 26% | 0.256 | S | S | . | . | trans | -135.3 | 136.8 | 169.4 | -62.5 | -172 | -174.1 | 178.7 | 4.2 | 108.3 | P753 Q789 N812 | P753-R791 VanDerWaalsContact CD-O 3.27Å; P753-R791 WeakPolarHBondContact CD-O 3.44Å; Q789-R791 PolarHBondContact O-N 2.86Å; R791-N812 VanDerWaalsContact CB-OD1 3.27Å; R791-N812 WeakPolarHBondContact CB-OD1 2.96Å; R791-N812 VanDerWaalsContact CD-OD1 3.3Å; R791-N812 WeakPolarHBondContact CD-OD1 3.04Å; R791-N812 WeakPolarHBondContact CG-OD1 3.15Å | ||
| 792 | M | 89.2 | Confident | 83.7 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 127 | -173.5 | -174.2 | -177.8 | -70.2 | 0 | 0 | 110.7 | F717 I731 A750 A751 V752 L758 I780 V782 I794 V811 F814 | F717-M792 HydrophobicContact CE2-SD 4.32Å; F717-M792 HydrophobicContact CZ-SD 4.26Å; I731-M792 HydrophobicContact CD1-CE 3.96Å; A750-M792 HydrophobicContact CB-CG 4.05Å; A750-M792 HydrophobicContact CB-SD 3.76Å; A751-M792 CarbonylContact O-C 3.56Å; A751-M792 WeakPolarHBondContact O-CA 3.1Å; V752-M792 HydrophobicContact CG1-CB 4.31Å; V752-M792 HydrophobicContact CG1-CE 4.21Å; V752-M792 HydrophobicContact CG1-CG 4.22Å; L758-M792 HydrophobicContact CD1-CE 4.08Å; I780-M792 HydrophobicContact CD1-CE 4.07Å; I780-M792 HydrophobicContact CD1-SD 4.03Å; I780-M792 HydrophobicContact CG2-CE 4.47Å; V782-M792 HydrophobicContact CG2-CE 4.18Å; M792-I794 HydrophobicContact CG-CG2 4.05Å; M792-I794 HydrophobicContact SD-CG2 3.94Å; M792-V811 PolarHBondContact N-O 2.82Å; M792-V811 PolarHBondContact O-N 2.73Å; M792-F814 HydrophobicContact CB-CE2 3.87Å; M792-F814 HydrophobicContact CB-CZ 3.83Å; M792-F814 HydrophobicContact CE-CZ 4.27Å; M792-F814 HydrophobicContact SD-CZ 4.38Å |
| 793 | R | 88.6 | Confident | 83.2 | Confident | 85 Ų | 85 | 57.3 Ų | 57.3 | 32% | 0.321 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 125.3 | 165.1 | -74.6 | -177.7 | 175.8 | 166.3 | 2.4 | 108.7 | L627 A750 A751 A809 E810 | L627-R793 PolarHBondContact O-NH1 3.25Å; A750-R793 CarbonylContact C-O 3.58Å; A750-R793 WeakPolarHBondContact CA-O 3.46Å; A751-R793 PolarHBondContact N-O 3.44Å; A751-R793 PolarHBondContact O-N 3.1Å; R793-A809 WeakPolarHBondContact CA-O 3.45Å; R793-E810 HydrophobicContact CG-CB 4.2Å; R793-E810 HydrophobicContact CG-CG 3.9Å; R793-E810 IonicContact CZ-OE2 2.74Å; R793-E810 IonicContact NE-OE2 2.77Å; R793-E810 PolarHBondContact NE-OE2 2.84Å; R793-E810 IonicContact NH2-OE2 3.49Å; R793-E810 PolarHBondContact NH2-OE2 2.89Å |
| 794 | I | 92.1 | Very high | 83.2 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141.5 | 174.2 | 62.7 | 175 | 0 | 0 | 0 | 109.7 | Y708 F717 F748 Q749 A750 M792 L808 A809 V811 | Y708-I794 HydrophobicContact CD2-CD1 4.43Å; F717-I794 HydrophobicContact CZ-CG2 4.36Å; F748-I794 HydrophobicContact CE2-CB 4.07Å; F748-I794 HydrophobicContact CE2-CD1 4.46Å; F748-I794 HydrophobicContact CE2-CG2 3.81Å; F748-I794 HydrophobicContact CZ-CB 4.32Å; F748-I794 HydrophobicContact CZ-CG2 3.66Å; Q749-I794 CarbonylContact O-C 3.59Å; Q749-I794 WeakPolarHBondContact O-CA 3.32Å; A750-I794 HydrophobicContact CB-CG2 4.44Å; M792-I794 HydrophobicContact CG-CG2 4.05Å; M792-I794 HydrophobicContact SD-CG2 3.94Å; I794-L808 WeakPolarHBondContact O-CA 3.32Å; I794-A809 HydrophobicContact CD1-CB 4.25Å; I794-A809 HydrophobicContact CG1-CB 3.89Å; I794-A809 PolarHBondContact N-O 3.43Å; I794-A809 PolarHBondContact O-N 2.96Å; I794-V811 HydrophobicContact CD1-CG2 4.23Å; I794-V811 HydrophobicContact CG1-CG2 4.4Å |
| 795 | K | 91.4 | Very high | 83.4 | Confident | 51 Ų | 51 | 60.5 Ų | 60.5 | 22% | 0.222 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.5 | 172.6 | 178.1 | 174.2 | -177.3 | 172.5 | 0 | 108 | Q749 Q806 D807 L808 | Q749-K795 HydrophobicContact CB-CB 4.27Å; Q749-K795 PolarHBondContact N-O 2.92Å; Q749-K795 PolarHBondContact O-N 3.47Å; K795-Q806 VanDerWaalsContact CE-NE2 3.33Å; K795-D807 WeakPolarHBondContact CA-O 3.41Å; K795-L808 HydrophobicContact CB-CG 4.08Å; K795-L808 HydrophobicContact CD-CD1 4.17Å; K795-L808 HydrophobicContact CD-CG 4.46Å; K795-L808 HydrophobicContact CG-CD1 3.96Å; K795-L808 HydrophobicContact CG-CG 4.07Å |
| 796 | L | 91.8 | Very high | 84 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 139.9 | -178.4 | -52 | 178.3 | 0 | 0 | 0 | 108.1 | Y708 L713 I715 F748 Q806 D807 | Y708-L796 HydrophobicContact CD1-CD1 3.47Å; Y708-L796 VanDerWaalsContact CD1-CD1 3.47Å; Y708-L796 HydrophobicContact CD2-CD1 4.08Å; Y708-L796 HydrophobicContact CE1-CD1 3.65Å; Y708-L796 HydrophobicContact CE2-CD1 4.25Å; Y708-L796 HydrophobicContact CG-CD1 3.7Å; L713-L796 HydrophobicContact CD2-CD1 3.98Å; I715-L796 HydrophobicContact CD1-CD1 3.72Å; I715-L796 HydrophobicContact CD1-CD2 3.49Å; I715-L796 VanDerWaalsContact CD1-CD2 3.49Å; I715-L796 HydrophobicContact CD1-CG 4.27Å; F748-L796 HydrophobicContact CB-CD2 4.44Å; F748-L796 HydrophobicContact CD2-CD2 3.46Å; F748-L796 VanDerWaalsContact CD2-CD2 3.46Å; F748-L796 HydrophobicContact CE2-CD2 4.14Å; F748-L796 HydrophobicContact CG-CD2 4.32Å; L796-Q806 WeakPolarHBondContact O-CA 3.43Å; L796-D807 HydrophobicContact CB-CB 4.41Å; L796-D807 PolarHBondContact N-O 3.39Å; L796-D807 PolarHBondContact O-N 3.02Å |
| 797 | T | 90.6 | Very high | 84.8 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 132.7 | 168.8 | -62.6 | 0 | 0 | 0 | 0 | 108.5 | F746 V747 V805 Q806 | F746-T797 WeakPolarHBondContact CA-O 3.43Å; V747-T797 PolarHBondContact N-O 2.85Å; V747-T797 PolarHBondContact O-N 3.32Å; T797-V805 WeakPolarHBondContact CA-O 3.41Å; T797-Q806 PolarHBondContact OG1-NE2 3.39Å |
| 798 | Y | 90.4 | Very high | 85.5 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 155.8 | -179.3 | 59.6 | -83 | 0 | 0 | 0 | 110 | L713 M743 H800 V805 | L713-Y798 HydrophobicContact CD2-CD1 3.94Å; L713-Y798 HydrophobicContact CD2-CE1 3.57Å; M743-Y798 HydrophobicContact CB-CD2 4.02Å; M743-Y798 HydrophobicContact CE-CD2 4.45Å; M743-Y798 HydrophobicContact CE-CE2 3.85Å; M743-Y798 HydrophobicContact CG-CD2 3.79Å; M743-Y798 HydrophobicContact CG-CE2 4.14Å; M743-Y798 HydrophobicContact SD-CD2 3.74Å; M743-Y798 HydrophobicContact SD-CE2 3.68Å; M743-Y798 HydrophobicContact SD-CG 4.47Å; Y798-H800 HydrophobicContact CD2-CB 4.16Å; Y798-H800 HydrophobicContact CE2-CB 4.04Å; Y798-V805 HydrophobicContact CD1-CB 4.43Å; Y798-V805 HydrophobicContact CD2-CB 4.3Å; Y798-V805 HydrophobicContact CE1-CB 4.04Å; Y798-V805 HydrophobicContact CE1-CG1 3.92Å; Y798-V805 HydrophobicContact CE2-CB 3.92Å; Y798-V805 HydrophobicContact CE2-CG1 4.29Å; Y798-V805 HydrophobicContact CE2-CG2 4.1Å; Y798-V805 PolarHBondContact N-O 2.63Å; Y798-V805 PolarHBondContact O-N 3.01Å |
| 799 | T | 87.2 | Confident | 85.9 | Confident | 37 Ų | 37 | 54.8 Ų | 54.8 | 23% | 0.227 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 127.4 | 173.5 | -55.5 | 0 | 0 | 0 | 0 | 109.3 | M743 T744 D745 S803 | M743-T799 WeakPolarHBondContact CA-O 3.41Å; T744-T799 PolarHBondContact N-O 3.17Å; T744-T799 VanDerWaalsContact N-O 3.09Å; T744-T799 PolarHBondContact O-N 3.27Å; T744-T799 WeakPolarHBondContact OG1-CB 3.39Å; D745-T799 PolarHBondContact OD2-OG1 2.69Å; T799-S803 WeakPolarHBondContact CA-O 3.35Å |
| 800 | H | 82.9 | Confident | 86.2 | Confident | 34 Ų | 34 | 55.2 Ų | 55.2 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 126.6 | 176.8 | -169.8 | -119.8 | 0 | 0 | 0 | 110.5 | T739 M743 Y798 G802 S803 | T739-H800 PolarHBondContact OG1-NE2 3.15Å; M743-H800 HydrophobicContact CG-CB 4.49Å; Y798-H800 HydrophobicContact CD2-CB 4.16Å; Y798-H800 HydrophobicContact CE2-CB 4.04Å; H800-G802 PolarHBondContact O-N 3.14Å; H800-G802 VanDerWaalsContact O-N 3.07Å; H800-S803 PolarHBondContact N-O 3.26Å; H800-S803 PolarHBondContact O-N 3.44Å |
| 801 | K | 80 | Confident | 86.4 | Confident | 148 Ų | 148 | 55.3 Ų | 55.3 | 64% | 0.643 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 35.4 | -177.7 | -61.4 | -173.9 | 174.9 | -173.1 | 0 | 113.9 | A741 | A741-K801 HydrophobicContact CB-CG 3.94Š|
| 802 | G | 74.1 | Confident | 86.3 | Confident | 72 Ų | 72 | 51.5 Ų | 51.5 | 74% | 0.742 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | -2.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | H800 | H800-G802 PolarHBondContact O-N 3.14Å; H800-G802 VanDerWaalsContact O-N 3.07Å |
| 803 | S | 78.3 | Confident | 85.9 | Confident | 79 Ų | 79 | 57.6 Ų | 57.6 | 55% | 0.552 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129.8 | 175.6 | -65.1 | 0 | 0 | 0 | 0 | 110.8 | T799 H800 | T799-S803 WeakPolarHBondContact CA-O 3.35Å; H800-S803 PolarHBondContact N-O 3.26Å; H800-S803 PolarHBondContact O-N 3.44Å |
| 804 | A | 84.9 | Confident | 85.7 | Confident | 86 Ų | 86 | 53.9 Ų | 53.9 | 71% | 0.711 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 126 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 805 | V | 85.9 | Confident | 85.1 | Confident | 36 Ų | 36 | 54.7 Ų | 54.7 | 22% | 0.218 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.6 | 177.7 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | T797 Y798 | T797-V805 WeakPolarHBondContact CA-O 3.41Å; Y798-V805 HydrophobicContact CD1-CB 4.43Å; Y798-V805 HydrophobicContact CD2-CB 4.3Å; Y798-V805 HydrophobicContact CE1-CB 4.04Å; Y798-V805 HydrophobicContact CE1-CG1 3.92Å; Y798-V805 HydrophobicContact CE2-CB 3.92Å; Y798-V805 HydrophobicContact CE2-CG1 4.29Å; Y798-V805 HydrophobicContact CE2-CG2 4.1Å; Y798-V805 PolarHBondContact N-O 2.63Å; Y798-V805 PolarHBondContact O-N 3.01Å |
| 806 | Q | 89.1 | Confident | 84.2 | Confident | 111 Ų | 111 | 55.6 Ų | 55.6 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 117.6 | 174.2 | 180 | 161.7 | 115.7 | 0 | 0 | 109.7 | K795 L796 T797 | K795-Q806 VanDerWaalsContact CE-NE2 3.33Å; L796-Q806 WeakPolarHBondContact O-CA 3.43Å; T797-Q806 PolarHBondContact OG1-NE2 3.39Å |
| 807 | D | 87.4 | Confident | 83.2 | Confident | 28 Ų | 28 | 60.4 Ų | 60.4 | 15% | 0.15 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144.3 | -177.6 | -84.9 | -49 | 0 | 0 | 0 | 110.2 | Y708 N711 K795 L796 | Y708-D807 VanDerWaalsContact OH-CB 3.26Å; Y708-D807 WeakPolarHBondContact OH-CB 3.33Å; Y708-D807 PolarHBondContact OH-OD1 2.95Å; Y708-D807 PolarHBondContact OH-OD2 3.35Å; N711-D807 PolarHBondContact ND2-OD2 3.24Å; K795-D807 WeakPolarHBondContact CA-O 3.41Å; L796-D807 HydrophobicContact CB-CB 4.41Å; L796-D807 PolarHBondContact N-O 3.39Å; L796-D807 PolarHBondContact O-N 3.02Å |
| 808 | L | 87.1 | Confident | 82 | Confident | 96 Ų | 96 | 58.9 Ų | 58.9 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 144.1 | 167.6 | -79.2 | 83.7 | 0 | 0 | 0 | 110.1 | I794 K795 | I794-L808 WeakPolarHBondContact O-CA 3.32Å; K795-L808 HydrophobicContact CB-CG 4.08Å; K795-L808 HydrophobicContact CD-CD1 4.17Å; K795-L808 HydrophobicContact CD-CG 4.46Å; K795-L808 HydrophobicContact CG-CD1 3.96Å; K795-L808 HydrophobicContact CG-CG 4.07Å |
| 809 | A | 85.4 | Confident | 80.8 | Confident | 26 Ų | 26 | 61 Ų | 61 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 155.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y708 R793 I794 | Y708-A809 HydrophobicContact CD2-CB 3.87Å; Y708-A809 HydrophobicContact CE2-CB 4.02Å; R793-A809 WeakPolarHBondContact CA-O 3.45Å; I794-A809 HydrophobicContact CD1-CB 4.25Å; I794-A809 HydrophobicContact CG1-CB 3.89Å; I794-A809 PolarHBondContact N-O 3.43Å; I794-A809 PolarHBondContact O-N 2.96Å |
| 810 | E | 87.1 | Confident | 79.4 | Confident | 95 Ų | 95 | 64.7 Ų | 64.7 | 44% | 0.444 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.5 | 175.2 | -167.8 | 175.6 | 114.6 | 0 | 0 | 109.5 | R793 N812 | R793-E810 HydrophobicContact CG-CB 4.2Å; R793-E810 HydrophobicContact CG-CG 3.9Å; R793-E810 IonicContact CZ-OE2 2.74Å; R793-E810 IonicContact NE-OE2 2.77Å; R793-E810 PolarHBondContact NE-OE2 2.84Å; R793-E810 IonicContact NH2-OE2 3.49Å; R793-E810 PolarHBondContact NH2-OE2 2.89Å; E810-N812 PolarHBondContact OE1-ND2 3.35Å |
| 811 | V | 86.7 | Confident | 79.2 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 4% | 0.036 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 111.7 | -177.3 | -172.4 | 0 | 0 | 0 | 0 | 107.7 | M705 A707 F717 M792 I794 F814 | M705-V811 HydrophobicContact CE-CG1 3.48Å; M705-V811 VanDerWaalsContact CE-CG1 3.48Å; A707-V811 HydrophobicContact CB-CG2 4.15Å; F717-V811 HydrophobicContact CE2-CG1 4.31Å; M792-V811 PolarHBondContact N-O 2.82Å; M792-V811 PolarHBondContact O-N 2.73Å; I794-V811 HydrophobicContact CD1-CG2 4.23Å; I794-V811 HydrophobicContact CG1-CG2 4.4Å; V811-F814 HydrophobicContact CB-CE2 4.05Å; V811-F814 HydrophobicContact CB-CZ 4.22Å; V811-F814 HydrophobicContact CG1-CD2 4.32Å; V811-F814 HydrophobicContact CG1-CE1 4.43Å; V811-F814 HydrophobicContact CG1-CE2 3.72Å; V811-F814 HydrophobicContact CG1-CZ 3.78Å; V811-F814 VanDerWaalsContact O-CE2 3.3Å; V811-F814 WeakPolarHBondContact O-CE2 3.32Å |
| 812 | N | 82.8 | Confident | 79.2 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 24% | 0.235 | 36% | 0.362 | C | S | . | . | trans | -119.1 | 4.7 | -177.1 | -69.3 | -36.9 | 0 | 0 | 0 | 112.5 | Q789 R791 E810 | Q789-N812 PolarHBondContact NE2-O 3.09Å; R791-N812 VanDerWaalsContact CB-OD1 3.27Å; R791-N812 WeakPolarHBondContact CB-OD1 2.96Å; R791-N812 VanDerWaalsContact CD-OD1 3.3Å; R791-N812 WeakPolarHBondContact CD-OD1 3.04Å; R791-N812 WeakPolarHBondContact CG-OD1 3.15Å; E810-N812 PolarHBondContact OE1-ND2 3.35Å | ||
| 813 | N | 80.6 | Confident | 79.4 | Confident | 129 Ų | 129 | 61.3 Ų | 61.3 | 69% | 0.69 | 34% | 0.341 | S | S | * | . | trans | -105.9 | 21.5 | -159.1 | -47.7 | 20.8 | 0 | 0 | 0 | 112.4 | M705 | M705-N813 HydrophobicContact CE-CB 3.88Š| ||
| 814 | F | 84 | Confident | 79.5 | Confident | 7 Ų | 7 | 60.3 Ų | 60.3 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | trans | -64.6 | 130 | -171.7 | -70.8 | -84 | 0 | 0 | 0 | 112.4 | M705 F717 F719 I731 L790 M792 V811 W819 | M705-F814 HydrophobicContact SD-CD1 3.97Å; M705-F814 HydrophobicContact SD-CE1 4.39Å; M705-F814 HydrophobicContact SD-CG 4.37Å; F717-F814 AromaticContact CD2-CE1 3.74Å; F717-F814 HydrophobicContact CD2-CE1 3.74Å; F717-F814 HydrophobicContact CD2-CZ 4.26Å; F717-F814 AromaticContact CE2-CE1 3.85Å; F717-F814 HydrophobicContact CE2-CE1 3.85Å; F717-F814 AromaticContact CE2-CZ 3.89Å; F717-F814 HydrophobicContact CE2-CZ 3.89Å; F719-F814 AromaticContact CE1-CD1 3.72Å; F719-F814 HydrophobicContact CE1-CD1 3.72Å; F719-F814 HydrophobicContact CE1-CE1 4.03Å; F719-F814 AromaticContact CZ-CD1 3.79Å; F719-F814 HydrophobicContact CZ-CD1 3.79Å; F719-F814 HydrophobicContact CZ-CE1 4.22Å; I731-F814 HydrophobicContact CD1-CE1 4.03Å; L790-F814 HydrophobicContact CB-CB 4.42Å; L790-F814 HydrophobicContact CB-CD2 3.99Å; L790-F814 HydrophobicContact CB-CE2 4.45Å; L790-F814 HydrophobicContact CB-CG 4.19Å; L790-F814 HydrophobicContact CD2-CD1 3.92Å; L790-F814 HydrophobicContact CD2-CD2 4.11Å; L790-F814 HydrophobicContact CD2-CE1 3.84Å; L790-F814 HydrophobicContact CD2-CE2 4.02Å; L790-F814 HydrophobicContact CD2-CG 4.05Å; L790-F814 HydrophobicContact CD2-CZ 3.89Å; L790-F814 HydrophobicContact CG-CD2 3.84Å; L790-F814 HydrophobicContact CG-CE2 3.81Å; L790-F814 HydrophobicContact CG-CG 4.2Å; L790-F814 HydrophobicContact CG-CZ 4.17Å; L790-F814 VanDerWaalsContact O-CD2 3.31Å; L790-F814 WeakPolarHBondContact O-CD2 3.33Å; M792-F814 HydrophobicContact CB-CE2 3.87Å; M792-F814 HydrophobicContact CB-CZ 3.83Å; M792-F814 HydrophobicContact CE-CZ 4.27Å; M792-F814 HydrophobicContact SD-CZ 4.38Å; V811-F814 HydrophobicContact CB-CE2 4.05Å; V811-F814 HydrophobicContact CB-CZ 4.22Å; V811-F814 HydrophobicContact CG1-CD2 4.32Å; V811-F814 HydrophobicContact CG1-CE1 4.43Å; V811-F814 HydrophobicContact CG1-CE2 3.72Å; V811-F814 HydrophobicContact CG1-CZ 3.78Å; V811-F814 VanDerWaalsContact O-CE2 3.3Å; V811-F814 WeakPolarHBondContact O-CE2 3.32Å; F814-W819 PolarHBondContact O-NE1 2.99Å | ||
| 815 | P | 80 | Confident | 79.2 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | trans | -54 | 136 | 177.9 | -25 | 32.9 | 0 | 0 | 0 | 111.4 | I702 P703 F719 Q817 S818 W819 | I702-P815 HydrophobicContact CG2-CB 4.11Å; I702-P815 HydrophobicContact CG2-CG 4.37Å; P703-P815 HydrophobicContact CG-CB 4.19Å; P703-P815 HydrophobicContact CG-CG 4.14Å; F719-P815 HydrophobicContact CD2-CG 4.48Å; F719-P815 HydrophobicContact CE2-CG 3.99Å; P815-Q817 PolarHBondContact O-N 2.94Å; P815-Q817 VanDerWaalsContact O-N 3.14Å; P815-S818 WeakPolarHBondContact O-CB 3.31Å; P815-S818 PolarHBondContact O-N 2.9Å; P815-S818 PolarHBondContact O-OG 2.72Å; P815-W819 PolarHBondContact O-NE1 2.94Å | ||
| 816 | P | 72 | Confident | 78.7 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -54.2 | -40.1 | -176.8 | -26.4 | 34.1 | 0 | 0 | 0 | 113.1 | S818 W819 Q820 | P816-S818 PolarHBondContact O-N 3.21Å; P816-W819 HydrophobicContact CB-CZ2 4.38Å; P816-W819 PolarHBondContact O-N 3.05Å; P816-Q820 HydrophobicContact CB-CG 4.44Å; P816-Q820 WeakPolarHBondContact O-CB 3.44Å; P816-Q820 WeakPolarHBondContact O-CG 3.44Å; P816-Q820 PolarHBondContact O-N 3.06Å |
| 817 | Q | 70.1 | Confident | 78 | Confident | 102 Ų | 102 | 56.6 Ų | 56.6 | 48% | 0.477 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -58.6 | -17.3 | 177 | -61.4 | 162.8 | -21.5 | 0 | 0 | 114.8 | I702 R721 P815 | I702-Q817 WeakPolarHBondContact CD1-O 3.41Å; I702-Q817 HydrophobicContact CG1-CB 4.05Å; I702-Q817 HydrophobicContact CG2-CB 4.35Å; R721-Q817 PolarHBondContact NE-O 3.07Å; R721-Q817 PolarHBondContact NH2-O 3.28Å; P815-Q817 PolarHBondContact O-N 2.94Å; P815-Q817 VanDerWaalsContact O-N 3.14Å |
| 818 | S | 65.8 | Low | 77.3 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -85.3 | -13.3 | 177.7 | 70.6 | 0 | 0 | 0 | 0 | 114.6 | A729 P815 P816 | A729-S818 WeakPolarHBondContact CB-O 3.21Å; P815-S818 WeakPolarHBondContact O-CB 3.31Å; P815-S818 PolarHBondContact O-N 2.9Å; P815-S818 PolarHBondContact O-OG 2.72Å; P816-S818 PolarHBondContact O-N 3.21Å |
| 819 | W | 64.3 | Low | 76.4 | Confident | 46 Ų | 46 | 55.7 Ų | 55.7 | 17% | 0.174 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -139.9 | -4.1 | -177.1 | 57.5 | -98.2 | 0 | 0 | 0 | 115.4 | N784 K787 Q788 Q789 L790 F814 P815 P816 | N784-W819 PolarHBondContact ND2-O 2.85Å; K787-W819 WeakPolarHBondContact O-CZ3 3.39Å; Q788-W819 VanDerWaalsContact O-CE3 3.29Å; Q789-W819 HydrophobicContact CB-CH2 3.97Å; Q789-W819 HydrophobicContact CB-CZ2 3.91Å; Q789-W819 HydrophobicContact CB-CZ3 4.4Å; Q789-W819 HydrophobicContact CG-CH2 4.4Å; Q789-W819 HydrophobicContact CG-CZ2 3.84Å; L790-W819 HydrophobicContact CB-CB 4.35Å; L790-W819 HydrophobicContact CB-CG 4.37Å; F814-W819 PolarHBondContact O-NE1 2.99Å; P815-W819 PolarHBondContact O-NE1 2.94Å; P816-W819 HydrophobicContact CB-CZ2 4.38Å; P816-W819 PolarHBondContact O-N 3.05Å |
| 820 | Q | 58.4 | Low | 75.6 | Confident | 115 Ų | 115 | 58.4 Ų | 58.4 | 54% | 0.537 | 30% | 0.297 | S | S | . | . | trans | -93.8 | 0 | 171.2 | -66.3 | -179.4 | -44.6 | 0 | 0 | 112.8 | R721 K787 P816 | R721-Q820 PolarHBondContact NH2-OXT 3.32Å; K787-Q820 PolarHBondContact NZ-O 2.98Å; P816-Q820 HydrophobicContact CB-CG 4.44Å; P816-Q820 WeakPolarHBondContact O-CB 3.44Å; P816-Q820 WeakPolarHBondContact O-CG 3.44Å; P816-Q820 PolarHBondContact O-N 3.06Å |
Retrieved 820 of 820 residues in 1033.1 ms
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