| 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 | 68 | Low | 74 | Confident | 54 Ų | 54 | 113.2 Ų | 113.2 | 27% | 0.266 | 54% | 0.538 | S | S | . | . | 0 | -77.9 | 0 | -63.9 | -172.2 | 83.7 | 0 | 0 | 110.9 | E3 M4 Q5 L13 E16 L17 R20 | M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.47Å; M1-M4 PolarHBondContact N-SD 3.1Å; M1-M4 VanDerWaalsContact N-SD 3.43Å; M1-M4 WeakPolarHBondContact O-CB 3.41Å; M1-M4 PolarHBondContact O-N 3.47Å; M1-M4 VanDerWaalsContact O-N 3.15Å; M1-Q5 WeakPolarHBondContact O-CB 3.32Å; M1-Q5 PolarHBondContact O-N 3.16Å; M1-L13 HydrophobicContact CE-CD1 4.17Å; M1-L13 HydrophobicContact CE-CG 4.35Å; M1-E16 HydrophobicContact CE-CB 3.7Å; M1-E16 HydrophobicContact CE-CG 3.82Å; M1-E16 VanDerWaalsContact CE-OE2 3.32Å; M1-E16 WeakPolarHBondContact CE-OE2 3.3Å; M1-L17 HydrophobicContact CB-CD1 3.96Å; M1-L17 HydrophobicContact CE-CB 4.11Å; M1-R20 WeakPolarHBondContact SD-CD 3.41Å | |||
| 2 | W | 71.1 | Confident | 75 | Confident | 154 Ų | 154 | 113.3 Ų | 113.3 | 58% | 0.583 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -54.8 | -44.1 | 178.9 | 178.1 | -100.4 | 0 | 0 | 0 | 113.5 | Q5 Q6 L17 | W2-Q5 WeakPolarHBondContact O-CB 3.22Å; W2-Q5 PolarHBondContact O-N 3.03Å; W2-Q6 VanDerWaalsContact NE1-NE2 3.12Å; W2-Q6 PolarHBondContact O-N 3.31Å; W2-Q6 VanDerWaalsContact O-N 3.12Å; W2-L17 HydrophobicContact CB-CD2 4.47Å; W2-L17 HydrophobicContact CE3-CD2 3.84Å |
| 3 | E | 75.9 | Confident | 75.4 | Confident | 149 Ų | 149 | 106.5 Ų | 106.5 | 70% | 0.696 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.8 | -49.6 | 175.2 | -65.6 | 160.8 | 136.5 | 0 | 0 | 111.9 | M1 Q5 Q6 E7 | M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.47Å; E3-Q5 PolarHBondContact O-N 3.04Å; E3-Q6 CarbonylContact O-C 3.4Å; E3-Q6 WeakPolarHBondContact O-CA 3.38Å; E3-Q6 WeakPolarHBondContact O-CB 3.3Å; E3-Q6 PolarHBondContact O-N 3.25Å; E3-E7 PolarHBondContact O-N 3.03Å |
| 4 | M | 76.4 | Confident | 75.8 | Confident | 101 Ų | 101 | 102.5 Ų | 102.5 | 50% | 0.498 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -54.1 | -37.9 | 174.2 | -60.6 | 164.8 | 67.3 | 0 | 0 | 112.2 | M1 Q6 E7 E8 L13 | M1-M4 PolarHBondContact N-SD 3.1Å; M1-M4 VanDerWaalsContact N-SD 3.43Å; M1-M4 WeakPolarHBondContact O-CB 3.41Å; M1-M4 PolarHBondContact O-N 3.47Å; M1-M4 VanDerWaalsContact O-N 3.15Å; M4-Q6 VanDerWaalsContact C-N 3.28Å; M4-Q6 PolarHBondContact O-N 2.91Å; M4-E7 PolarHBondContact O-N 3.04Å; M4-E8 PolarHBondContact O-N 2.59Å; M4-L13 HydrophobicContact CB-CD2 3.83Å; M4-L13 HydrophobicContact CE-CD1 4.47Å; M4-L13 HydrophobicContact CE-CD2 4.46Å |
| 5 | Q | 73.6 | Confident | 76.3 | Confident | 15 Ų | 15 | 103.9 Ų | 103.9 | 7% | 0.07 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -73.4 | -17.3 | 177.8 | -166 | 65.3 | -1.6 | 0 | 0 | 113.4 | M1 W2 E3 F9 D10 L13 | M1-Q5 WeakPolarHBondContact O-CB 3.32Å; M1-Q5 PolarHBondContact O-N 3.16Å; W2-Q5 WeakPolarHBondContact O-CB 3.22Å; W2-Q5 PolarHBondContact O-N 3.03Å; E3-Q5 PolarHBondContact O-N 3.04Å; Q5-F9 HydrophobicContact CG-CD2 4.36Å; Q5-F9 VanDerWaalsContact NE2-CE2 3.33Å; Q5-D10 PolarHBondContact NE2-O 3.12Å; Q5-D10 PolarHBondContact OE1-O 2.9Å; Q5-L13 HydrophobicContact CB-CD2 4.3Å |
| 6 | Q | 70.2 | Confident | 77 | Confident | 138 Ų | 138 | 102.1 Ų | 102.1 | 65% | 0.645 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -88.4 | -26.9 | 167.6 | -67.2 | -166.1 | -10.9 | 0 | 0 | 112.5 | W2 E3 M4 | W2-Q6 VanDerWaalsContact NE1-NE2 3.12Å; W2-Q6 PolarHBondContact O-N 3.31Å; W2-Q6 VanDerWaalsContact O-N 3.12Å; E3-Q6 CarbonylContact O-C 3.4Å; E3-Q6 WeakPolarHBondContact O-CA 3.38Å; E3-Q6 WeakPolarHBondContact O-CB 3.3Å; E3-Q6 PolarHBondContact O-N 3.25Å; M4-Q6 VanDerWaalsContact C-N 3.28Å; M4-Q6 PolarHBondContact O-N 2.91Å |
| 7 | E | 76.4 | Confident | 77.1 | Confident | 167 Ų | 167 | 97.9 Ų | 97.9 | 78% | 0.78 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -74.3 | -48.3 | 173.6 | -67.2 | -178.1 | 131.8 | 0 | 0 | 111.6 | E3 M4 | E3-E7 PolarHBondContact O-N 3.03Å; M4-E7 PolarHBondContact O-N 3.04Å |
| 8 | E | 66.4 | Low | 77.3 | Confident | 163 Ų | 163 | 98.2 Ų | 98.2 | 76% | 0.762 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -146.9 | 127.1 | 173.6 | -169.3 | 162.7 | -149.4 | 0 | 0 | 110.5 | M4 D10 | M4-E8 PolarHBondContact O-N 2.59Å; E8-D10 PolarHBondContact O-N 3.22Å |
| 9 | F | 68.3 | Low | 77.8 | Confident | 149 Ų | 149 | 99 Ų | 99 | 65% | 0.654 | 47% | 0.471 | S | S | * | . | trans | -79.9 | 107.5 | -175 | -179.7 | -89.4 | 0 | 0 | 0 | 111.5 | Q5 | Q5-F9 HydrophobicContact CG-CD2 4.36Å; Q5-F9 VanDerWaalsContact NE2-CE2 3.33Å | ||
| 10 | D | 85.6 | Confident | 78.2 | Confident | 76 Ų | 76 | 100.7 Ų | 100.7 | 41% | 0.406 | 47% | 0.473 | S | S | . | . | trans | -107.1 | 125.4 | 174.8 | 177.1 | -11 | 0 | 0 | 0 | 109.9 | Q5 E8 D12 L13 Q14 | Q5-D10 PolarHBondContact NE2-O 3.12Å; Q5-D10 PolarHBondContact OE1-O 2.9Å; E8-D10 PolarHBondContact O-N 3.22Å; D10-D12 VanDerWaalsContact C-N 3.33Å; D10-D12 PolarHBondContact O-N 3.38Å; D10-D12 PolarHBondContact OD1-N 3.09Å; D10-L13 HydrophobicContact CB-CB 3.7Å; D10-L13 PolarHBondContact O-N 2.76Å; D10-L13 PolarHBondContact OD1-N 2.63Å; D10-Q14 WeakPolarHBondContact O-CB 3.32Å; D10-Q14 PolarHBondContact O-N 3.49Å | ||
| 11 | S | 82.1 | Confident | 78.1 | Confident | 79 Ų | 79 | 100.5 Ų | 100.5 | 55% | 0.552 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -70.2 | -25.4 | -179.2 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | K15 | S11-K15 PolarHBondContact O-N 3.4Å |
| 12 | D | 86.4 | Confident | 78.5 | Confident | 114 Ų | 114 | 101.7 Ų | 101.7 | 61% | 0.61 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -83 | -34.9 | 175.2 | -71.4 | -27.7 | 0 | 0 | 0 | 110.4 | D10 K15 E16 | D10-D12 VanDerWaalsContact C-N 3.33Å; D10-D12 PolarHBondContact O-N 3.38Å; D10-D12 PolarHBondContact OD1-N 3.09Å; D12-K15 WeakPolarHBondContact O-CB 3.4Å; D12-K15 PolarHBondContact O-N 2.88Å; D12-K15 VanDerWaalsContact O-N 3.17Å; D12-E16 PolarHBondContact O-N 2.89Å |
| 13 | L | 80.1 | Confident | 79 | Confident | 26 Ų | 26 | 98.8 Ų | 98.8 | 14% | 0.136 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -66.9 | -36.7 | 171.4 | -160.3 | 84.7 | 0 | 0 | 0 | 112.5 | M1 M4 Q5 D10 K15 L17 | M1-L13 HydrophobicContact CE-CD1 4.17Å; M1-L13 HydrophobicContact CE-CG 4.35Å; M4-L13 HydrophobicContact CB-CD2 3.83Å; M4-L13 HydrophobicContact CE-CD1 4.47Å; M4-L13 HydrophobicContact CE-CD2 4.46Å; Q5-L13 HydrophobicContact CB-CD2 4.3Å; D10-L13 HydrophobicContact CB-CB 3.7Å; D10-L13 PolarHBondContact O-N 2.76Å; D10-L13 PolarHBondContact OD1-N 2.63Å; L13-K15 VanDerWaalsContact C-N 3.25Å; L13-K15 PolarHBondContact O-N 3.36Å; L13-L17 VanDerWaalsContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 PolarHBondContact O-N 3.39Å |
| 14 | Q | 80.3 | Confident | 79.1 | Confident | 50 Ų | 50 | 96.4 Ų | 96.4 | 23% | 0.234 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -53.1 | -47 | 168.3 | -176.6 | 72.7 | 30.4 | 0 | 0 | 110.6 | D10 L17 E18 | D10-Q14 WeakPolarHBondContact O-CB 3.32Å; D10-Q14 PolarHBondContact O-N 3.49Å; Q14-L17 WeakPolarHBondContact O-CB 3.35Å; Q14-L17 PolarHBondContact O-N 3.1Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.39Å; Q14-E18 PolarHBondContact NE2-OE1 3.29Å; Q14-E18 WeakPolarHBondContact O-CG 3.41Å; Q14-E18 PolarHBondContact O-N 3.23Å |
| 15 | K | 83.3 | Confident | 78.6 | Confident | 123 Ų | 123 | 97.2 Ų | 97.2 | 54% | 0.535 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -73.6 | -42.7 | -173.1 | -149.4 | 177.9 | -174.4 | -175.4 | 0 | 112 | S11 D12 L13 L17 E18 E19 | S11-K15 PolarHBondContact O-N 3.4Å; D12-K15 WeakPolarHBondContact O-CB 3.4Å; D12-K15 PolarHBondContact O-N 2.88Å; D12-K15 VanDerWaalsContact O-N 3.17Å; L13-K15 VanDerWaalsContact C-N 3.25Å; L13-K15 PolarHBondContact O-N 3.36Å; K15-L17 VanDerWaalsContact C-N 3.29Å; K15-L17 PolarHBondContact O-N 3.36Å; K15-E18 PolarHBondContact O-N 2.95Å; K15-E19 WeakPolarHBondContact O-CG 3.42Å; K15-E19 PolarHBondContact O-N 3.01Å |
| 16 | E | 87.6 | Confident | 78.6 | Confident | 75 Ų | 75 | 102.8 Ų | 102.8 | 35% | 0.35 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -35.4 | 172 | -163.3 | -160.2 | 175.8 | 0 | 0 | 111.1 | M1 D12 R20 | M1-E16 HydrophobicContact CE-CB 3.7Å; M1-E16 HydrophobicContact CE-CG 3.82Å; M1-E16 VanDerWaalsContact CE-OE2 3.32Å; M1-E16 WeakPolarHBondContact CE-OE2 3.3Å; D12-E16 PolarHBondContact O-N 2.89Å; E16-R20 HydrophobicContact CG-CG 4.47Å; E16-R20 VanDerWaalsContact O-CB 3.23Å; E16-R20 WeakPolarHBondContact O-CB 3.19Å; E16-R20 VanDerWaalsContact O-CG 3.23Å; E16-R20 WeakPolarHBondContact O-CG 3.49Å; E16-R20 PolarHBondContact O-N 2.78Å; E16-R20 IonicContact OE1-CZ 2.73Å; E16-R20 IonicContact OE1-NE 3.81Å; E16-R20 PolarHBondContact OE1-NE 3.19Å; E16-R20 IonicContact OE1-NH2 2.72Å; E16-R20 PolarHBondContact OE1-NH2 3.3Å |
| 17 | L | 79 | Confident | 78.7 | Confident | 31 Ų | 31 | 102.9 Ų | 102.9 | 16% | 0.162 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 173.1 | -180 | 70.1 | 0 | 0 | 0 | 110.8 | M1 W2 L13 Q14 K15 R20 L21 | M1-L17 HydrophobicContact CB-CD1 3.96Å; M1-L17 HydrophobicContact CE-CB 4.11Å; W2-L17 HydrophobicContact CB-CD2 4.47Å; W2-L17 HydrophobicContact CE3-CD2 3.84Å; L13-L17 VanDerWaalsContact O-CB 3.25Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 PolarHBondContact O-N 3.39Å; Q14-L17 WeakPolarHBondContact O-CB 3.35Å; Q14-L17 PolarHBondContact O-N 3.1Å; K15-L17 VanDerWaalsContact C-N 3.29Å; K15-L17 PolarHBondContact O-N 3.36Å; L17-R20 PolarHBondContact O-N 2.85Å; L17-L21 VanDerWaalsContact O-CB 3.24Å; L17-L21 WeakPolarHBondContact O-CB 3.37Å; L17-L21 PolarHBondContact O-N 2.99Å |
| 18 | E | 81.4 | Confident | 78.2 | Confident | 103 Ų | 103 | 99.2 Ų | 99.2 | 48% | 0.481 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 178.2 | -74.9 | 169.9 | -164.4 | 0 | 0 | 111.9 | Q14 K15 R20 L21 V22 | Q14-E18 WeakPolarHBondContact CG-OE1 3.39Å; Q14-E18 PolarHBondContact NE2-OE1 3.29Å; Q14-E18 WeakPolarHBondContact O-CG 3.41Å; Q14-E18 PolarHBondContact O-N 3.23Å; K15-E18 PolarHBondContact O-N 2.95Å; E18-R20 PolarHBondContact O-N 3.5Å; E18-L21 PolarHBondContact O-N 3.4Å; E18-V22 PolarHBondContact O-N 3.45Å |
| 19 | E | 86.1 | Confident | 78 | Confident | 114 Ų | 114 | 94 Ų | 94 | 53% | 0.533 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 174.5 | -73.8 | -178 | -172.3 | 0 | 0 | 112.3 | K15 L21 V22 Q23 | K15-E19 WeakPolarHBondContact O-CG 3.42Å; K15-E19 PolarHBondContact O-N 3.01Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-V22 PolarHBondContact O-N 2.89Å; E19-Q23 WeakPolarHBondContact O-CG 3.46Å; E19-Q23 PolarHBondContact O-N 2.81Å |
| 20 | R | 86 | Confident | 77.8 | Confident | 133 Ų | 133 | 88.9 Ų | 88.9 | 50% | 0.502 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.7 | -30.1 | 175.2 | -76 | 175.2 | 179.1 | -119.5 | 11.2 | 112.8 | M1 E16 L17 E18 Q23 L24 | M1-R20 WeakPolarHBondContact SD-CD 3.41Å; E16-R20 HydrophobicContact CG-CG 4.47Å; E16-R20 VanDerWaalsContact O-CB 3.23Å; E16-R20 WeakPolarHBondContact O-CB 3.19Å; E16-R20 VanDerWaalsContact O-CG 3.23Å; E16-R20 WeakPolarHBondContact O-CG 3.49Å; E16-R20 PolarHBondContact O-N 2.78Å; E16-R20 IonicContact OE1-CZ 2.73Å; E16-R20 IonicContact OE1-NE 3.81Å; E16-R20 PolarHBondContact OE1-NE 3.19Å; E16-R20 IonicContact OE1-NH2 2.72Å; E16-R20 PolarHBondContact OE1-NH2 3.3Å; L17-R20 PolarHBondContact O-N 2.85Å; E18-R20 PolarHBondContact O-N 3.5Å; R20-Q23 PolarHBondContact O-N 2.83Å; R20-L24 VanDerWaalsContact O-CB 3.22Å; R20-L24 WeakPolarHBondContact O-CB 3.46Å; R20-L24 PolarHBondContact O-N 3Å |
| 21 | L | 76.2 | Confident | 76.9 | Confident | 97 Ų | 97 | 91.5 Ų | 91.5 | 51% | 0.508 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.4 | -39.6 | 177.8 | -157.9 | 153.7 | 0 | 0 | 0 | 110.1 | L17 E18 E19 L24 Q25 | L17-L21 VanDerWaalsContact O-CB 3.24Å; L17-L21 WeakPolarHBondContact O-CB 3.37Å; L17-L21 PolarHBondContact O-N 2.99Å; E18-L21 PolarHBondContact O-N 3.4Å; E19-L21 VanDerWaalsContact C-N 3.33Å; L21-L24 PolarHBondContact O-N 3.27Å; L21-Q25 VanDerWaalsContact O-CB 3.31Å; L21-Q25 WeakPolarHBondContact O-CB 3.46Å; L21-Q25 PolarHBondContact O-N 2.94Å |
| 22 | V | 76.6 | Confident | 75.9 | Confident | 79 Ų | 79 | 92.1 Ų | 92.1 | 48% | 0.479 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.6 | -50.8 | 168.4 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | E18 E19 L24 Q25 E26 | E18-V22 PolarHBondContact O-N 3.45Å; E19-V22 PolarHBondContact O-N 2.89Å; V22-L24 PolarHBondContact O-N 3Å; V22-Q25 WeakPolarHBondContact O-CB 3.33Å; V22-Q25 PolarHBondContact O-N 2.89Å; V22-E26 PolarHBondContact O-N 2.92Å |
| 23 | Q | 81.1 | Confident | 74.8 | Confident | 92 Ų | 92 | 88 Ų | 88 | 43% | 0.43 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61 | -31.2 | 177 | -70.9 | 178.2 | 25.5 | 0 | 0 | 113.4 | E19 R20 K27 | E19-Q23 WeakPolarHBondContact O-CG 3.46Å; E19-Q23 PolarHBondContact O-N 2.81Å; R20-Q23 PolarHBondContact O-N 2.83Å; Q23-K27 WeakPolarHBondContact O-CB 3.42Å; Q23-K27 WeakPolarHBondContact O-CD 3.33Å; Q23-K27 VanDerWaalsContact O-CG 3.23Å; Q23-K27 WeakPolarHBondContact O-CG 3.27Å; Q23-K27 PolarHBondContact O-N 3.39Å |
| 24 | L | 77.9 | Confident | 74.2 | Confident | 99 Ų | 99 | 89 Ų | 89 | 52% | 0.518 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -72.4 | -40.2 | 174.2 | 179.1 | 61.9 | 0 | 0 | 0 | 110.6 | R20 L21 V22 K27 I28 | R20-L24 VanDerWaalsContact O-CB 3.22Å; R20-L24 WeakPolarHBondContact O-CB 3.46Å; R20-L24 PolarHBondContact O-N 3Å; L21-L24 PolarHBondContact O-N 3.27Å; V22-L24 PolarHBondContact O-N 3Å; L24-K27 PolarHBondContact O-N 3.02Å; L24-I28 HydrophobicContact CD1-CD1 4.11Å; L24-I28 HydrophobicContact CD1-CG1 4.32Å; L24-I28 HydrophobicContact CG-CD1 3.87Å; L24-I28 HydrophobicContact CG-CG1 4.48Å; L24-I28 WeakPolarHBondContact O-CB 3.48Å; L24-I28 VanDerWaalsContact O-CG1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.37Å; L24-I28 PolarHBondContact O-N 3.36Å |
| 25 | Q | 66.2 | Low | 73.4 | Confident | 119 Ų | 119 | 91.4 Ų | 91.4 | 56% | 0.556 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.5 | -42.6 | 177.7 | -161.1 | 166.3 | 14.2 | 0 | 0 | 111.4 | L21 V22 I28 S29 | L21-Q25 VanDerWaalsContact O-CB 3.31Å; L21-Q25 WeakPolarHBondContact O-CB 3.46Å; L21-Q25 PolarHBondContact O-N 2.94Å; V22-Q25 WeakPolarHBondContact O-CB 3.33Å; V22-Q25 PolarHBondContact O-N 2.89Å; Q25-I28 PolarHBondContact O-N 2.98Å; Q25-S29 PolarHBondContact O-N 3.37Å; Q25-S29 PolarHBondContact O-OG 2.59Å |
| 26 | E | 73.2 | Confident | 72.6 | Confident | 132 Ų | 132 | 87.2 Ų | 87.2 | 62% | 0.617 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -58.8 | -46.3 | 170.4 | -70.6 | 178.3 | 156.8 | 0 | 0 | 112 | V22 I28 S29 G30 | V22-E26 PolarHBondContact O-N 2.92Å; E26-I28 VanDerWaalsContact C-N 3.33Å; E26-I28 PolarHBondContact O-N 2.97Å; E26-S29 PolarHBondContact O-N 2.83Å; E26-G30 PolarHBondContact O-N 3.13Å |
| 27 | K | 72.9 | Confident | 71.9 | Confident | 140 Ų | 140 | 84.3 Ų | 84.3 | 61% | 0.609 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.1 | -36.6 | 176.5 | -76.2 | 166.4 | -173.4 | 158.1 | 0 | 112.6 | Q23 L24 F31 | Q23-K27 WeakPolarHBondContact O-CB 3.42Å; Q23-K27 WeakPolarHBondContact O-CD 3.33Å; Q23-K27 VanDerWaalsContact O-CG 3.23Å; Q23-K27 WeakPolarHBondContact O-CG 3.27Å; Q23-K27 PolarHBondContact O-N 3.39Å; L24-K27 PolarHBondContact O-N 3.02Å; K27-F31 VanDerWaalsContact O-CB 3.28Å; K27-F31 WeakPolarHBondContact O-CB 3.41Å; K27-F31 PolarHBondContact O-N 3.02Å |
| 28 | I | 66.7 | Low | 71.3 | Confident | 89 Ų | 89 | 89.6 Ų | 89.6 | 46% | 0.456 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.6 | -45.5 | 175.1 | -73.6 | 168.2 | 0 | 0 | 0 | 110.2 | L24 Q25 E26 G30 F31 E32 | L24-I28 HydrophobicContact CD1-CD1 4.11Å; L24-I28 HydrophobicContact CD1-CG1 4.32Å; L24-I28 HydrophobicContact CG-CD1 3.87Å; L24-I28 HydrophobicContact CG-CG1 4.48Å; L24-I28 WeakPolarHBondContact O-CB 3.48Å; L24-I28 VanDerWaalsContact O-CG1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.37Å; L24-I28 PolarHBondContact O-N 3.36Å; Q25-I28 PolarHBondContact O-N 2.98Å; E26-I28 VanDerWaalsContact C-N 3.33Å; E26-I28 PolarHBondContact O-N 2.97Å; I28-G30 PolarHBondContact O-N 3.15Å; I28-F31 CarbonylContact O-C 3.58Å; I28-F31 PolarHBondContact O-N 2.84Å; I28-F31 VanDerWaalsContact O-N 3.13Å; I28-E32 PolarHBondContact O-N 3.37Å |
| 29 | S | 60.7 | Low | 70.6 | Confident | 54 Ų | 54 | 86 Ų | 86 | 38% | 0.378 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 176.8 | -65.3 | 0 | 0 | 0 | 0 | 113 | Q25 E26 F31 L33 | Q25-S29 PolarHBondContact O-N 3.37Å; Q25-S29 PolarHBondContact O-OG 2.59Å; E26-S29 PolarHBondContact O-N 2.83Å; S29-F31 VanDerWaalsContact C-N 3.32Å; S29-L33 WeakPolarHBondContact O-CB 3.07Å; S29-L33 PolarHBondContact O-N 3.01Å |
| 30 | G | 64.7 | Low | 69.7 | Low | 42 Ų | 42 | 85.1 Ų | 85.1 | 43% | 0.433 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.2 | -34.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | E26 I28 S34 | E26-G30 PolarHBondContact O-N 3.13Å; I28-G30 PolarHBondContact O-N 3.15Å; G30-S34 PolarHBondContact O-N 3.09Å; G30-S34 VanDerWaalsContact O-N 3.12Å |
| 31 | F | 66.2 | Low | 69.3 | Low | 131 Ų | 131 | 82 Ų | 82 | 58% | 0.575 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -72.6 | -44 | 174.9 | -172.5 | -107.7 | 0 | 0 | 0 | 112.3 | K27 I28 S29 L33 S34 L35 | K27-F31 VanDerWaalsContact O-CB 3.28Å; K27-F31 WeakPolarHBondContact O-CB 3.41Å; K27-F31 PolarHBondContact O-N 3.02Å; I28-F31 CarbonylContact O-C 3.58Å; I28-F31 PolarHBondContact O-N 2.84Å; I28-F31 VanDerWaalsContact O-N 3.13Å; S29-F31 VanDerWaalsContact C-N 3.32Å; F31-L33 VanDerWaalsContact C-N 3.34Å; F31-L33 PolarHBondContact O-N 3.35Å; F31-S34 WeakPolarHBondContact O-CB 3.45Å; F31-S34 PolarHBondContact O-N 2.83Å; F31-S34 VanDerWaalsContact O-N 3.12Å; F31-S34 PolarHBondContact O-OG 3.17Å; F31-L35 HydrophobicContact CD1-CD1 4.04Å; F31-L35 HydrophobicContact CE1-CD1 3.82Å; F31-L35 HydrophobicContact CE1-CD2 4.45Å; F31-L35 HydrophobicContact CE1-CG 4.29Å; F31-L35 HydrophobicContact CZ-CD2 4.36Å; F31-L35 WeakPolarHBondContact O-CG 3.37Å; F31-L35 PolarHBondContact O-N 3.01Å; F31-L35 VanDerWaalsContact O-N 3.08Å |
| 32 | E | 61.1 | Low | 69.6 | Low | 92 Ų | 92 | 77.5 Ų | 77.5 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -50.5 | -54.7 | 168.7 | -80.6 | -168.5 | 130.3 | 0 | 0 | 110.4 | I28 S34 L35 L36 | I28-E32 PolarHBondContact O-N 3.37Å; E32-S34 PolarHBondContact O-N 2.83Å; E32-L35 WeakPolarHBondContact O-CA 3.38Å; E32-L35 WeakPolarHBondContact O-CB 3.45Å; E32-L35 PolarHBondContact O-N 3.5Å; E32-L36 WeakPolarHBondContact O-CG 3.42Å; E32-L36 PolarHBondContact O-N 3.34Å |
| 33 | L | 64.7 | Low | 69.8 | Low | 27 Ų | 27 | 79.9 Ų | 79.9 | 14% | 0.141 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -55.9 | -38.4 | -179.8 | -170.5 | 67.8 | 0 | 0 | 0 | 111.3 | S29 F31 L35 L36 L37 Y109 D277 L280 | S29-L33 WeakPolarHBondContact O-CB 3.07Å; S29-L33 PolarHBondContact O-N 3.01Å; F31-L33 VanDerWaalsContact C-N 3.34Å; F31-L33 PolarHBondContact O-N 3.35Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 2.92Å; L33-L36 PolarHBondContact O-N 2.81Å; L33-L37 WeakPolarHBondContact O-CG 3.39Å; L33-Y109 HydrophobicContact CD2-CE1 3.99Å; L33-Y109 HydrophobicContact CG-CE1 4.15Å; L33-D277 HydrophobicContact CD1-CB 3.93Å; L33-L280 HydrophobicContact CD1-CD1 3.7Å |
| 34 | S | 66 | Low | 70 | Confident | 47 Ų | 47 | 77.4 Ų | 77.4 | 33% | 0.329 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.4 | -28.2 | 175.7 | 82.9 | 0 | 0 | 0 | 0 | 114.2 | G30 F31 E32 L36 | G30-S34 PolarHBondContact O-N 3.09Å; G30-S34 VanDerWaalsContact O-N 3.12Å; F31-S34 WeakPolarHBondContact O-CB 3.45Å; F31-S34 PolarHBondContact O-N 2.83Å; F31-S34 VanDerWaalsContact O-N 3.12Å; F31-S34 PolarHBondContact O-OG 3.17Å; E32-S34 PolarHBondContact O-N 2.83Å; S34-L36 VanDerWaalsContact C-N 3.35Å |
| 35 | L | 63.9 | Low | 70.7 | Confident | 101 Ų | 101 | 74.5 Ų | 74.5 | 53% | 0.529 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -75.4 | -21.2 | 173.9 | -64.4 | 170 | 0 | 0 | 0 | 112.5 | F31 E32 L33 L37 | F31-L35 HydrophobicContact CD1-CD1 4.04Å; F31-L35 HydrophobicContact CE1-CD1 3.82Å; F31-L35 HydrophobicContact CE1-CD2 4.45Å; F31-L35 HydrophobicContact CE1-CG 4.29Å; F31-L35 HydrophobicContact CZ-CD2 4.36Å; F31-L35 WeakPolarHBondContact O-CG 3.37Å; F31-L35 PolarHBondContact O-N 3.01Å; F31-L35 VanDerWaalsContact O-N 3.08Å; E32-L35 WeakPolarHBondContact O-CA 3.38Å; E32-L35 WeakPolarHBondContact O-CB 3.45Å; E32-L35 PolarHBondContact O-N 3.5Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 2.92Å; L35-L37 PolarHBondContact O-N 2.86Å |
| 36 | L | 67.1 | Low | 71.9 | Confident | 35 Ų | 35 | 68.8 Ų | 68.8 | 18% | 0.183 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 7 | 177.3 | -50.2 | -169.6 | 0 | 0 | 0 | 113.9 | E32 L33 S34 K111 L280 K281 L284 | E32-L36 WeakPolarHBondContact O-CG 3.42Å; E32-L36 PolarHBondContact O-N 3.34Å; L33-L36 PolarHBondContact O-N 2.81Å; S34-L36 VanDerWaalsContact C-N 3.35Å; L36-K111 PolarHBondContact O-NZ 2.83Å; L36-L280 HydrophobicContact CB-CB 4.05Å; L36-L280 HydrophobicContact CB-CD1 4.21Å; L36-L280 HydrophobicContact CB-CG 4.48Å; L36-L280 HydrophobicContact CD1-CB 3.55Å; L36-L280 HydrophobicContact CG-CB 4.44Å; L36-K281 HydrophobicContact CD1-CG 4.13Å; L36-L284 HydrophobicContact CD2-CD1 3.42Å; L36-L284 VanDerWaalsContact CD2-CD1 3.42Å; L36-L284 HydrophobicContact CD2-CG 4.48Å |
| 37 | L | 71.8 | Confident | 72.8 | Confident | 14 Ų | 14 | 64.2 Ų | 64.2 | 7% | 0.073 | 34% | 0.342 | C | S | . | . | trans | -115.5 | 38.7 | -172.1 | -54.6 | 172.5 | 0 | 0 | 0 | 110.9 | L33 L35 D42 N105 G108 Y109 L280 | L33-L37 WeakPolarHBondContact O-CG 3.39Å; L35-L37 PolarHBondContact O-N 2.86Å; L37-D42 VanDerWaalsContact CA-OD2 3.3Å; L37-D42 WeakPolarHBondContact CA-OD2 3.19Å; L37-D42 HydrophobicContact CB-CB 4.32Å; L37-D42 WeakPolarHBondContact O-CB 3.47Å; L37-N105 HydrophobicContact CD1-CB 3.98Å; L37-N105 WeakPolarHBondContact CD1-ND2 3.23Å; L37-G108 VanDerWaalsContact CD2-C 3.43Å; L37-G108 VanDerWaalsContact CD2-O 3.27Å; L37-G108 WeakPolarHBondContact CD2-O 3.48Å; L37-Y109 HydrophobicContact CD1-CD1 4.06Å; L37-Y109 HydrophobicContact CD1-CE1 3.51Å; L37-Y109 HydrophobicContact CD1-CE2 4.05Å; L37-Y109 HydrophobicContact CD2-CD1 4.33Å; L37-L280 HydrophobicContact CD2-CD1 4.01Å | ||
| 38 | D | 66.5 | Low | 73.8 | Confident | 141 Ų | 141 | 57.6 Ų | 57.6 | 75% | 0.754 | 31% | 0.313 | S | S | * | . | trans | -84.4 | -15.2 | -173.2 | 83.3 | -40.9 | 0 | 0 | 0 | 114.5 | D42 | D38-D42 PolarHBondContact N-OD2 3.37Š| ||
| 39 | A | 67.6 | Low | 75 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 23% | 0.231 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -69.2 | 154.7 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y41 D42 | A39-Y41 PolarHBondContact O-N 3.15Å; A39-D42 VanDerWaalsContact CB-OD2 3.25Å; A39-D42 WeakPolarHBondContact CB-OD2 3.38Å; A39-D42 PolarHBondContact N-OD2 3.43Å; A39-D42 WeakPolarHBondContact O-CB 3.47Å; A39-D42 PolarHBondContact O-N 3.26Å |
| 40 | P | 66.1 | Low | 76.6 | Confident | 95 Ų | 95 | 52.2 Ų | 52.2 | 62% | 0.617 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -28.7 | -162.8 | -30.9 | 36.4 | 0 | 0 | 0 | 116.4 | K43 | P40-K43 WeakPolarHBondContact O-CE 3.44Å; P40-K43 PolarHBondContact O-NZ 2.92Å |
| 41 | Y | 78.3 | Confident | 77.8 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 27% | 0.267 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -2.1 | -178.3 | -51.4 | -86.2 | 0 | 0 | 0 | 114.2 | A39 K43 N44 Y107 P142 L144 L228 | A39-Y41 PolarHBondContact O-N 3.15Å; Y41-K43 VanDerWaalsContact C-N 3.27Å; Y41-K43 PolarHBondContact O-N 3.23Å; Y41-N44 VanDerWaalsContact O-CB 3.22Å; Y41-N44 WeakPolarHBondContact O-CB 3.31Å; Y41-N44 PolarHBondContact O-N 2.95Å; Y41-Y107 WeakPolarHBondContact O-CD1 3.36Å; Y41-P142 HydrophobicContact CD1-CB 4.31Å; Y41-P142 HydrophobicContact CD1-CG 4.01Å; Y41-P142 HydrophobicContact CG-CB 4.23Å; Y41-P142 HydrophobicContact CG-CG 3.93Å; Y41-L144 HydrophobicContact CD1-CD2 3.77Å; Y41-L144 HydrophobicContact CE1-CD2 3.46Å; Y41-L144 VanDerWaalsContact CE1-CD2 3.46Å; Y41-L228 HydrophobicContact CD2-CD1 4.41Å; Y41-L228 HydrophobicContact CD2-CD2 4.03Å; Y41-L228 HydrophobicContact CE1-CD1 4.39Å; Y41-L228 HydrophobicContact CE2-CD1 3.95Å; Y41-L228 HydrophobicContact CE2-CD2 3.94Å; Y41-L228 HydrophobicContact CE2-CG 4.46Å |
| 42 | D | 81.9 | Confident | 79 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -43.8 | -172 | -79.8 | -11.6 | 0 | 0 | 0 | 112.1 | L37 D38 A39 N44 N105 G108 K111 | L37-D42 VanDerWaalsContact CA-OD2 3.3Å; L37-D42 WeakPolarHBondContact CA-OD2 3.19Å; L37-D42 HydrophobicContact CB-CB 4.32Å; L37-D42 WeakPolarHBondContact O-CB 3.47Å; D38-D42 PolarHBondContact N-OD2 3.37Å; A39-D42 VanDerWaalsContact CB-OD2 3.25Å; A39-D42 WeakPolarHBondContact CB-OD2 3.38Å; A39-D42 PolarHBondContact N-OD2 3.43Å; A39-D42 WeakPolarHBondContact O-CB 3.47Å; A39-D42 PolarHBondContact O-N 3.26Å; D42-N44 PolarHBondContact O-N 3.33Å; D42-N44 VanDerWaalsContact O-N 3.13Å; D42-N105 CarbonylContact O-C 3.57Å; D42-N105 VanDerWaalsContact O-CA 3.23Å; D42-N105 WeakPolarHBondContact O-CA 3.48Å; D42-G108 WeakPolarHBondContact O-CA 3.34Å; D42-G108 PolarHBondContact O-N 3.12Å; D42-K111 WeakPolarHBondContact OD1-CD 3.08Å; D42-K111 IonicContact OD1-NZ 3.32Å; D42-K111 PolarHBondContact OD1-NZ 3.1Å; D42-K111 IonicContact OD2-NZ 3.74Å; D42-K111 PolarHBondContact OD2-NZ 3.3Å |
| 43 | K | 80.7 | Confident | 80.1 | Confident | 130 Ų | 130 | 44.8 Ų | 44.8 | 57% | 0.565 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -13.4 | 174.5 | 72.3 | -156.7 | 178.6 | -135.3 | 0 | 116.5 | P40 Y41 N105 | P40-K43 WeakPolarHBondContact O-CE 3.44Å; P40-K43 PolarHBondContact O-NZ 2.92Å; Y41-K43 VanDerWaalsContact C-N 3.27Å; Y41-K43 PolarHBondContact O-N 3.23Å; K43-N105 WeakPolarHBondContact CA-OD1 3.48Å; K43-N105 PolarHBondContact O-N 2.92Å |
| 44 | N | 86.3 | Confident | 80.7 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 21% | 0.214 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -79.9 | 162.9 | -175.2 | -65.2 | 26.3 | 0 | 0 | 0 | 111.4 | Y41 D42 Y107 P142 E143 | Y41-N44 VanDerWaalsContact O-CB 3.22Å; Y41-N44 WeakPolarHBondContact O-CB 3.31Å; Y41-N44 PolarHBondContact O-N 2.95Å; D42-N44 PolarHBondContact O-N 3.33Å; D42-N44 VanDerWaalsContact O-N 3.13Å; N44-Y107 WeakPolarHBondContact O-CB 3.47Å; N44-Y107 PolarHBondContact O-N 2.76Å; N44-P142 HydrophobicContact CB-CB 4.2Å; N44-E143 PolarHBondContact ND2-O 3.48Å |
| 45 | N | 92.1 | Very high | 80.7 | Confident | 37 Ų | 37 | 45.8 Ų | 45.8 | 20% | 0.198 | 26% | 0.264 | C | S | . | . | trans | -60.8 | 152.3 | 165.7 | -58.5 | -36.5 | 0 | 0 | 0 | 110.2 | M100 I101 K102 G103 E143 | N45-M100 HydrophobicContact CB-SD 3.93Å; N45-I101 WeakPolarHBondContact CA-O 3.33Å; N45-K102 HydrophobicContact CB-CG 4.31Å; N45-K102 VanDerWaalsContact OD1-CA 3.23Å; N45-K102 WeakPolarHBondContact OD1-CA 3.39Å; N45-G103 PolarHBondContact OD1-N 2.7Å; N45-E143 HydrophobicContact CB-CB 3.98Å; N45-E143 PolarHBondContact ND2-OE2 2.89Å; N45-E143 PolarHBondContact O-N 2.84Å | ||
| 46 | A | 91.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V48 M100 I101 A106 L110 V140 | A46-V48 HydrophobicContact CB-CG2 4.32Å; A46-M100 CarbonylContact O-C 3.53Å; A46-M100 WeakPolarHBondContact O-CA 3.42Å; A46-I101 HydrophobicContact CB-CB 4.4Å; A46-I101 PolarHBondContact N-O 3.32Å; A46-I101 PolarHBondContact O-N 3.31Å; A46-A106 HydrophobicContact CB-CB 4.36Å; A46-L110 HydrophobicContact CB-CD1 3.71Å; A46-V140 HydrophobicContact CB-CG1 4.49Å |
| 47 | I | 91.2 | Very high | 82.6 | Confident | 35 Ų | 35 | 42.8 Ų | 42.8 | 18% | 0.179 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.3 | 160.6 | -58.5 | 174 | 0 | 0 | 0 | 107 | T98 L99 M100 V140 M141 | I47-T98 HydrophobicContact CG2-CG2 3.74Å; I47-L99 CarbonylContact C-O 3.09Å; I47-L99 VanDerWaalsContact CA-O 3.31Å; I47-L99 WeakPolarHBondContact CA-O 3.35Å; I47-M100 HydrophobicContact CD1-CE 3.94Å; I47-M100 HydrophobicContact CG1-CE 3.57Å; I47-M100 HydrophobicContact CG1-SD 4.03Å; I47-V140 WeakPolarHBondContact O-CA 3.41Å; I47-M141 PolarHBondContact N-O 3.23Å; I47-M141 PolarHBondContact O-N 2.91Å |
| 48 | V | 93.5 | Very high | 83.3 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 119.4 | 177.9 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | A46 L50 T98 L99 I101 L110 V138 E139 V140 | A46-V48 HydrophobicContact CB-CG2 4.32Å; V48-L50 HydrophobicContact CG1-CD2 4Å; V48-T98 WeakPolarHBondContact O-CA 3.34Å; V48-L99 HydrophobicContact CB-CB 4.44Å; V48-L99 PolarHBondContact N-O 3.4Å; V48-L99 PolarHBondContact O-N 3.46Å; V48-I101 HydrophobicContact CB-CD1 4.38Å; V48-I101 HydrophobicContact CG2-CD1 3.81Å; V48-L110 HydrophobicContact CG2-CD1 3.98Å; V48-V138 HydrophobicContact CG1-CG1 4.1Å; V48-E139 CarbonylContact C-O 3.56Å; V48-E139 WeakPolarHBondContact CA-O 3.22Å; V48-V140 HydrophobicContact CG2-CG1 4.24Å; V48-V140 HydrophobicContact CG2-CG2 4.23Å |
| 49 | E | 92.5 | Very high | 84.4 | Confident | 30 Ų | 30 | 35.8 Ų | 35.8 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.1 | 173.7 | -48.2 | -176.5 | 177.4 | 0 | 0 | 110 | H51 V97 T98 E139 R229 | E49-H51 WeakPolarHBondContact CB-NE2 3.37Å; E49-H51 IonicContact OE2-CD2 2.71Å; E49-H51 IonicContact OE2-CE1 3.95Å; E49-H51 IonicContact OE2-NE2 3.64Å; E49-H51 PolarHBondContact OE2-NE2 3.2Å; E49-V97 CarbonylContact C-O 3.57Å; E49-V97 WeakPolarHBondContact CA-O 3.46Å; E49-T98 HydrophobicContact CG-CG2 4.05Å; E49-E139 HydrophobicContact CB-CB 4.24Å; E49-E139 PolarHBondContact N-O 3.43Å; E49-E139 PolarHBondContact O-N 2.8Å; E49-R229 IonicContact OE1-NH2 3.1Å; E49-R229 PolarHBondContact OE1-NH2 3.29Å; E49-R229 IonicContact OE2-NH2 3.78Å; E49-R229 PolarHBondContact OE2-NH2 3.33Å |
| 50 | L | 94.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.9 | 173.5 | -48.8 | 176.5 | 0 | 0 | 0 | 110 | V48 P52 L66 L67 Y70 I94 S96 V97 S137 V138 | V48-L50 HydrophobicContact CG1-CD2 4Å; L50-P52 WeakPolarHBondContact O-CD 3.5Å; L50-L66 HydrophobicContact CD1-CB 4.14Å; L50-L67 HydrophobicContact CD1-CB 3.84Å; L50-Y70 HydrophobicContact CD1-CD2 4.46Å; L50-Y70 HydrophobicContact CD2-CD2 4.06Å; L50-Y70 HydrophobicContact CD2-CE2 4.06Å; L50-I94 HydrophobicContact CB-CD1 4.2Å; L50-I94 HydrophobicContact CD1-CD1 4.38Å; L50-S96 WeakPolarHBondContact O-CA 3.41Å; L50-V97 HydrophobicContact CB-CG1 3.88Å; L50-V97 HydrophobicContact CD1-CG1 3.8Å; L50-V97 HydrophobicContact CG-CG1 3.9Å; L50-V97 PolarHBondContact N-O 3.03Å; L50-V97 PolarHBondContact O-N 2.89Å; L50-S137 WeakPolarHBondContact CA-O 3.3Å; L50-V138 HydrophobicContact CD2-CB 4.2Å; L50-V138 HydrophobicContact CD2-CG1 3.91Å; L50-V138 HydrophobicContact CD2-CG2 3.86Å |
| 51 | H | 91 | Very high | 86.8 | Confident | 57 Ų | 57 | 32.5 Ų | 32.5 | 26% | 0.264 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 95.1 | -177.3 | -65.9 | -76.2 | 0 | 0 | 0 | 111.1 | E49 G53 C136 S137 I235 | E49-H51 WeakPolarHBondContact CB-NE2 3.37Å; E49-H51 IonicContact OE2-CD2 2.71Å; E49-H51 IonicContact OE2-CE1 3.95Å; E49-H51 IonicContact OE2-NE2 3.64Å; E49-H51 PolarHBondContact OE2-NE2 3.2Å; H51-G53 PolarHBondContact O-N 3.36Å; H51-C136 VanDerWaalsContact C-SG 3.56Å; H51-S137 PolarHBondContact N-O 3.29Å; H51-S137 PolarHBondContact O-N 3.45Å; H51-I235 HydrophobicContact CB-CD1 4.18Å |
| 52 | P | 89.8 | Confident | 87.6 | Confident | 28 Ų | 28 | 29.2 Ų | 29.2 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.7 | 131.9 | 169.4 | -32.2 | 37.9 | 0 | 0 | 0 | 113.6 | L50 I94 K95 | L50-P52 WeakPolarHBondContact O-CD 3.5Å; P52-I94 HydrophobicContact CG-CG1 4.25Å; P52-I94 WeakPolarHBondContact CG-O 3.31Å; P52-K95 WeakPolarHBondContact CD-O 3.41Å |
| 53 | G | 85.2 | Confident | 88.1 | Confident | 25 Ų | 25 | 29.1 Ų | 29.1 | 26% | 0.258 | 18% | 0.182 | S | C | . | . | trans | -116.9 | -139.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H51 G55 S59 F135 | H51-G53 PolarHBondContact O-N 3.36Å; G53-G55 PolarHBondContact O-N 3.05Å; G53-G55 VanDerWaalsContact O-N 3.12Å; G53-S59 WeakPolarHBondContact O-CB 3.43Å; G53-S59 PolarHBondContact O-OG 3.24Å; G53-F135 WeakPolarHBondContact CA-O 3.19Å; G53-F135 PolarHBondContact N-O 3.15Å | ||
| 54 | A | 77.1 | Confident | 88.7 | Confident | 55 Ų | 55 | 24.5 Ų | 24.5 | 46% | 0.455 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 116.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S59 F135 I235 | A54-S59 PolarHBondContact O-OG 3.45Å; A54-F135 HydrophobicContact CB-CD2 4.26Å; A54-F135 PolarHBondContact O-N 3.02Å; A54-I235 PolarHBondContact N-O 3.39Å; A54-I235 VanDerWaalsContact N-O 3.08Å |
| 55 | G | 66.6 | Low | 89.1 | Confident | 40 Ų | 40 | 23.8 Ų | 23.8 | 41% | 0.412 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 145.1 | -9.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.9 | G53 T57 E58 S59 | G53-G55 PolarHBondContact O-N 3.05Å; G53-G55 VanDerWaalsContact O-N 3.12Å; G55-T57 PolarHBondContact O-N 2.89Å; G55-E58 PolarHBondContact O-N 2.95Å; G55-S59 WeakPolarHBondContact CA-OG 3.26Å; G55-S59 PolarHBondContact N-OG 3.2Å |
| 56 | G | 83.5 | Confident | 89.2 | Confident | 46 Ų | 46 | 22 Ų | 22 | 47% | 0.474 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | -133.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E58 S59 Q60 | G56-E58 PolarHBondContact O-N 2.81Å; G56-S59 CarbonylContact O-C 3.44Å; G56-S59 WeakPolarHBondContact O-CA 3.4Å; G56-S59 WeakPolarHBondContact O-CB 3.3Å; G56-S59 PolarHBondContact O-N 2.89Å; G56-Q60 PolarHBondContact O-N 3.48Å |
| 57 | T | 86 | Confident | 89.4 | Confident | 27 Ų | 27 | 23.3 Ų | 23.3 | 17% | 0.166 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54 | -34.9 | 177.6 | -46.8 | 0 | 0 | 0 | 0 | 113.1 | G55 S59 Q60 D61 E91 A92 F125 | G55-T57 PolarHBondContact O-N 2.89Å; T57-S59 VanDerWaalsContact C-N 3.3Å; T57-S59 PolarHBondContact O-N 2.9Å; T57-Q60 PolarHBondContact O-N 3.15Å; T57-D61 WeakPolarHBondContact O-CB 3.25Å; T57-D61 PolarHBondContact O-N 3.08Å; T57-E91 WeakPolarHBondContact CB-OE2 3.39Å; T57-E91 HydrophobicContact CG2-CB 3.7Å; T57-E91 WeakPolarHBondContact CG2-OE2 3.31Å; T57-E91 PolarHBondContact OG1-OE2 2.82Å; T57-A92 HydrophobicContact CG2-CB 3.82Å; T57-F125 HydrophobicContact CG2-CD1 4.42Å; T57-F125 HydrophobicContact CG2-CD2 4.11Å; T57-F125 HydrophobicContact CG2-CE2 4.28Å; T57-F125 HydrophobicContact CG2-CG 4.19Å |
| 58 | E | 88.1 | Confident | 89.6 | Confident | 7 Ų | 7 | 26.6 Ų | 26.6 | 3% | 0.033 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.1 | -24 | 175.4 | -172.5 | 76.2 | 173.7 | 0 | 0 | 112.7 | G55 G56 W62 R121 S123 F125 H132 S134 | G55-E58 PolarHBondContact O-N 2.95Å; G56-E58 PolarHBondContact O-N 2.81Å; E58-W62 VanDerWaalsContact O-CB 3.31Å; E58-W62 WeakPolarHBondContact O-CB 3.46Å; E58-W62 PolarHBondContact O-N 2.87Å; E58-R121 VanDerWaalsContact CD-NH2 3.27Å; E58-R121 VanDerWaalsContact OE1-CG 3.31Å; E58-R121 WeakPolarHBondContact OE1-CG 3.41Å; E58-R121 IonicContact OE1-CZ 2.69Å; E58-R121 IonicContact OE1-NE 2.82Å; E58-R121 PolarHBondContact OE1-NE 3.04Å; E58-R121 IonicContact OE1-NH2 3.33Å; E58-R121 PolarHBondContact OE1-NH2 3.42Å; E58-R121 IonicContact OE2-CZ 2.81Å; E58-R121 IonicContact OE2-NE 3.52Å; E58-R121 IonicContact OE2-NH2 3.68Å; E58-R121 PolarHBondContact OE2-NH2 2.87Å; E58-S123 VanDerWaalsContact CD-CB 3.48Å; E58-S123 VanDerWaalsContact CD-OG 3.27Å; E58-S123 WeakPolarHBondContact OE1-CA 3.46Å; E58-S123 WeakPolarHBondContact OE1-CB 3.34Å; E58-S123 VanDerWaalsContact OE2-CB 3.3Å; E58-S123 WeakPolarHBondContact OE2-CB 3.43Å; E58-S123 PolarHBondContact OE2-OG 3.09Å; E58-F125 WeakPolarHBondContact OE2-CD2 3.5Å; E58-H132 HydrophobicContact CG-CB 3.98Å; E58-S134 WeakPolarHBondContact O-CB 3.48Å; E58-S134 PolarHBondContact O-OG 3.42Å |
| 59 | S | 88.5 | Confident | 89.7 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -83.6 | -36.8 | 169 | -69.4 | 0 | 0 | 0 | 0 | 112.4 | G53 A54 G55 G56 T57 W62 G63 S134 F135 | G53-S59 WeakPolarHBondContact O-CB 3.43Å; G53-S59 PolarHBondContact O-OG 3.24Å; A54-S59 PolarHBondContact O-OG 3.45Å; G55-S59 WeakPolarHBondContact CA-OG 3.26Å; G55-S59 PolarHBondContact N-OG 3.2Å; G56-S59 CarbonylContact O-C 3.44Å; G56-S59 WeakPolarHBondContact O-CA 3.4Å; G56-S59 WeakPolarHBondContact O-CB 3.3Å; G56-S59 PolarHBondContact O-N 2.89Å; T57-S59 VanDerWaalsContact C-N 3.3Å; T57-S59 PolarHBondContact O-N 2.9Å; S59-W62 PolarHBondContact O-N 2.81Å; S59-G63 PolarHBondContact O-N 3.13Å; S59-S134 WeakPolarHBondContact OG-CB 3.37Å; S59-F135 PolarHBondContact OG-N 2.8Å; S59-F135 PolarHBondContact OG-O 3.44Å |
| 60 | Q | 91.3 | Very high | 89.9 | Confident | 24 Ų | 24 | 25.1 Ų | 25.1 | 11% | 0.112 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 177.4 | -67.8 | -173.5 | -15.4 | 0 | 0 | 110.6 | G56 T57 G63 S64 D90 A92 G93 I94 | G56-Q60 PolarHBondContact O-N 3.48Å; T57-Q60 PolarHBondContact O-N 3.15Å; Q60-G63 PolarHBondContact O-N 3.25Å; Q60-S64 PolarHBondContact O-N 3.42Å; Q60-S64 VanDerWaalsContact O-N 3.16Å; Q60-D90 PolarHBondContact NE2-OD2 2.98Å; Q60-A92 WeakPolarHBondContact CB-O 3.26Å; Q60-G93 WeakPolarHBondContact O-CA 3.13Å; Q60-I94 WeakPolarHBondContact CA-O 3.46Å; Q60-I94 WeakPolarHBondContact CB-O 3.44Å; Q60-I94 VanDerWaalsContact CG-O 3.25Å; Q60-I94 WeakPolarHBondContact CG-O 3.33Å; Q60-I94 PolarHBondContact O-N 3.1Å |
| 61 | D | 93 | Very high | 89.8 | Confident | 29 Ų | 29 | 26.6 Ų | 26.6 | 16% | 0.155 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 171.7 | -174.7 | 67.3 | 0 | 0 | 0 | 112.1 | T57 G63 S64 M65 R121 F125 | T57-D61 WeakPolarHBondContact O-CB 3.25Å; T57-D61 PolarHBondContact O-N 3.08Å; D61-G63 VanDerWaalsContact C-N 3.32Å; D61-G63 PolarHBondContact O-N 3.35Å; D61-S64 CarbonylContact O-C 3.58Å; D61-S64 WeakPolarHBondContact O-CA 3.42Å; D61-S64 WeakPolarHBondContact O-CB 3.36Å; D61-S64 PolarHBondContact O-N 3.12Å; D61-S64 PolarHBondContact O-OG 3.23Å; D61-M65 PolarHBondContact O-N 2.96Å; D61-R121 IonicContact OD2-CZ 2.95Å; D61-R121 IonicContact OD2-NH1 3.89Å; D61-R121 PolarHBondContact OD2-NH1 3.41Å; D61-R121 IonicContact OD2-NH2 3.85Å; D61-R121 PolarHBondContact OD2-NH2 2.82Å; D61-F125 HydrophobicContact CB-CE2 3.53Å; D61-F125 HydrophobicContact CB-CZ 3.81Å |
| 62 | W | 95 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.3 | -39.2 | 174.7 | 177 | -132.7 | 0 | 0 | 0 | 112.9 | E58 S59 S64 M65 L66 H117 L119 Y244 M268 | E58-W62 VanDerWaalsContact O-CB 3.31Å; E58-W62 WeakPolarHBondContact O-CB 3.46Å; E58-W62 PolarHBondContact O-N 2.87Å; S59-W62 PolarHBondContact O-N 2.81Å; W62-S64 VanDerWaalsContact C-N 3.26Å; W62-S64 PolarHBondContact O-N 2.83Å; W62-M65 HydrophobicContact CE3-CB 3.69Å; W62-M65 HydrophobicContact CE3-CE 4.2Å; W62-M65 HydrophobicContact CE3-CG 4.37Å; W62-M65 HydrophobicContact CE3-SD 3.91Å; W62-M65 HydrophobicContact CZ3-CB 3.98Å; W62-M65 HydrophobicContact CZ3-CE 4.09Å; W62-M65 HydrophobicContact CZ3-SD 4.4Å; W62-M65 WeakPolarHBondContact O-CB 3.38Å; W62-M65 PolarHBondContact O-N 2.9Å; W62-L66 HydrophobicContact CD2-CD1 4.26Å; W62-L66 HydrophobicContact CD2-CG 4.1Å; W62-L66 HydrophobicContact CE3-CG 4.37Å; W62-L66 HydrophobicContact CH2-CD2 3.69Å; W62-L66 HydrophobicContact CH2-CG 4.03Å; W62-L66 HydrophobicContact CZ2-CD1 3.99Å; W62-L66 HydrophobicContact CZ2-CD2 3.58Å; W62-L66 HydrophobicContact CZ2-CG 3.77Å; W62-L66 HydrophobicContact CZ3-CD2 4.36Å; W62-L66 HydrophobicContact CZ3-CG 4.33Å; W62-L66 PolarHBondContact O-N 3.28Å; W62-H117 HydrophobicContact CZ2-CB 4.25Å; W62-H117 PolarHBondContact NE1-O 3.02Å; W62-L119 HydrophobicContact CB-CB 4.41Å; W62-L119 HydrophobicContact CB-CD2 3.87Å; W62-L119 HydrophobicContact CD2-CB 3.55Å; W62-L119 HydrophobicContact CD2-CD1 4.49Å; W62-L119 HydrophobicContact CD2-CD2 3.94Å; W62-L119 HydrophobicContact CD2-CG 4.2Å; W62-L119 HydrophobicContact CE3-CB 3.93Å; W62-L119 HydrophobicContact CE3-CD1 4Å; W62-L119 HydrophobicContact CE3-CD2 3.76Å; W62-L119 HydrophobicContact CE3-CG 4.11Å; W62-L119 HydrophobicContact CG-CB 3.73Å; W62-L119 HydrophobicContact CG-CD2 3.99Å; W62-L119 HydrophobicContact CG-CG 4.48Å; W62-L119 HydrophobicContact CZ2-CB 4.28Å; W62-L119 HydrophobicContact CZ3-CB 4.47Å; W62-L119 HydrophobicContact CZ3-CD1 4.06Å; W62-Y244 AromaticContact CH2-CD1 3.71Å; W62-Y244 HydrophobicContact CH2-CD1 3.71Å; W62-Y244 AromaticContact CH2-CD2 3.7Å; W62-Y244 HydrophobicContact CH2-CD2 3.7Å; W62-Y244 HydrophobicContact CH2-CE1 4.06Å; W62-Y244 HydrophobicContact CH2-CE2 4.07Å; W62-Y244 AromaticContact CH2-CG 3.52Å; W62-Y244 HydrophobicContact CH2-CG 3.52Å; W62-Y244 HydrophobicContact CZ2-CD1 4.41Å; W62-Y244 AromaticContact CZ2-CD2 3.54Å; W62-Y244 HydrophobicContact CZ2-CD2 3.54Å; W62-Y244 AromaticContact CZ2-CE2 3.87Å; W62-Y244 HydrophobicContact CZ2-CE2 3.87Å; W62-Y244 AromaticContact CZ2-CG 3.85Å; W62-Y244 HydrophobicContact CZ2-CG 3.85Å; W62-M268 HydrophobicContact CH2-CE 4.35Å; W62-M268 HydrophobicContact CH2-SD 3.93Å; W62-M268 HydrophobicContact CZ3-CE 3.81Å; W62-M268 HydrophobicContact CZ3-SD 3.78Å |
| 63 | G | 92.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.1 | -38.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S59 Q60 D61 L66 L67 I94 | S59-G63 PolarHBondContact O-N 3.13Å; Q60-G63 PolarHBondContact O-N 3.25Å; D61-G63 VanDerWaalsContact C-N 3.32Å; D61-G63 PolarHBondContact O-N 3.35Å; G63-L66 PolarHBondContact O-N 3.01Å; G63-L67 WeakPolarHBondContact O-CB 3.41Å; G63-L67 PolarHBondContact O-N 3.31Å; G63-I94 VanDerWaalsContact C-CD1 3.47Å; G63-I94 WeakPolarHBondContact O-CD1 3.3Å |
| 64 | S | 93.1 | Very high | 90.5 | Very high | 32 Ų | 32 | 25.2 Ų | 25.2 | 22% | 0.224 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -73.5 | -31.1 | 176.6 | 82.1 | 0 | 0 | 0 | 0 | 113.4 | Q60 D61 W62 R68 | Q60-S64 PolarHBondContact O-N 3.42Å; Q60-S64 VanDerWaalsContact O-N 3.16Å; D61-S64 CarbonylContact O-C 3.58Å; D61-S64 WeakPolarHBondContact O-CA 3.42Å; D61-S64 WeakPolarHBondContact O-CB 3.36Å; D61-S64 PolarHBondContact O-N 3.12Å; D61-S64 PolarHBondContact O-OG 3.23Å; W62-S64 VanDerWaalsContact C-N 3.26Å; W62-S64 PolarHBondContact O-N 2.83Å; S64-R68 WeakPolarHBondContact O-CB 3.49Å; S64-R68 PolarHBondContact O-N 3.42Å |
| 65 | M | 94.7 | Very high | 91.1 | Very high | 26 Ų | 26 | 28.4 Ų | 28.4 | 13% | 0.128 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66 | -42.1 | 170.8 | -68.4 | 178.9 | 66.1 | 0 | 0 | 111.3 | D61 W62 R68 M69 L119 R121 F246 M268 | D61-M65 PolarHBondContact O-N 2.96Å; W62-M65 HydrophobicContact CE3-CB 3.69Å; W62-M65 HydrophobicContact CE3-CE 4.2Å; W62-M65 HydrophobicContact CE3-CG 4.37Å; W62-M65 HydrophobicContact CE3-SD 3.91Å; W62-M65 HydrophobicContact CZ3-CB 3.98Å; W62-M65 HydrophobicContact CZ3-CE 4.09Å; W62-M65 HydrophobicContact CZ3-SD 4.4Å; W62-M65 WeakPolarHBondContact O-CB 3.38Å; W62-M65 PolarHBondContact O-N 2.9Å; M65-R68 PolarHBondContact O-N 3.4Å; M65-M69 WeakPolarHBondContact O-CB 3.16Å; M65-M69 PolarHBondContact O-N 3.45Å; M65-L119 HydrophobicContact SD-CD2 4.32Å; M65-R121 PolarHBondContact SD-NH1 3.26Å; M65-F246 HydrophobicContact CE-CE2 4.47Å; M65-F246 HydrophobicContact CE-CZ 3.86Å; M65-M268 HydrophobicContact CB-CE 3.85Å; M65-M268 HydrophobicContact CE-CE 4.04Å |
| 66 | L | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.9 | -42 | 174.2 | -73.2 | 173.5 | 0 | 0 | 0 | 112.1 | L50 W62 G63 R68 M69 Y70 H117 C136 V138 | L50-L66 HydrophobicContact CD1-CB 4.14Å; W62-L66 HydrophobicContact CD2-CD1 4.26Å; W62-L66 HydrophobicContact CD2-CG 4.1Å; W62-L66 HydrophobicContact CE3-CG 4.37Å; W62-L66 HydrophobicContact CH2-CD2 3.69Å; W62-L66 HydrophobicContact CH2-CG 4.03Å; W62-L66 HydrophobicContact CZ2-CD1 3.99Å; W62-L66 HydrophobicContact CZ2-CD2 3.58Å; W62-L66 HydrophobicContact CZ2-CG 3.77Å; W62-L66 HydrophobicContact CZ3-CD2 4.36Å; W62-L66 HydrophobicContact CZ3-CG 4.33Å; W62-L66 PolarHBondContact O-N 3.28Å; G63-L66 PolarHBondContact O-N 3.01Å; L66-R68 PolarHBondContact O-N 2.67Å; L66-M69 HydrophobicContact CD2-CE 3.48Å; L66-M69 VanDerWaalsContact CD2-CE 3.48Å; L66-M69 HydrophobicContact CD2-SD 4.14Å; L66-M69 WeakPolarHBondContact O-CB 3.29Å; L66-M69 PolarHBondContact O-N 3.31Å; L66-M69 VanDerWaalsContact O-N 3.15Å; L66-Y70 HydrophobicContact CB-CD2 4.35Å; L66-Y70 HydrophobicContact CB-CE2 4.14Å; L66-Y70 HydrophobicContact CD2-CE2 4.11Å; L66-Y70 WeakPolarHBondContact O-CD2 3.43Å; L66-Y70 PolarHBondContact O-N 2.86Å; L66-H117 HydrophobicContact CD1-CB 3.9Å; L66-H117 HydrophobicContact CD2-CB 4.36Å; L66-C136 HydrophobicContact CD1-CB 3.67Å; L66-V138 HydrophobicContact CD1-CG2 4.32Å |
| 67 | L | 95.2 | Very high | 92.3 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 14% | 0.141 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -52.3 | -54.1 | 171.5 | 168.7 | 57.1 | 0 | 0 | 0 | 110.4 | L50 G63 M69 Y70 T71 Y86 I94 V97 L99 | L50-L67 HydrophobicContact CD1-CB 3.84Å; G63-L67 WeakPolarHBondContact O-CB 3.41Å; G63-L67 PolarHBondContact O-N 3.31Å; L67-M69 VanDerWaalsContact C-N 3.28Å; L67-M69 PolarHBondContact O-N 3.5Å; L67-Y70 PolarHBondContact O-N 2.86Å; L67-T71 WeakPolarHBondContact O-CB 3.34Å; L67-T71 PolarHBondContact O-N 2.86Å; L67-T71 PolarHBondContact O-OG1 2.87Å; L67-T71 VanDerWaalsContact O-OG1 3.04Å; L67-Y86 HydrophobicContact CD2-CD2 4.44Å; L67-Y86 HydrophobicContact CD2-CE2 3.86Å; L67-I94 HydrophobicContact CB-CD1 4.47Å; L67-I94 HydrophobicContact CD2-CG2 4.09Å; L67-V97 HydrophobicContact CD1-CG1 4.23Å; L67-V97 HydrophobicContact CD1-CG2 4.39Å; L67-V97 HydrophobicContact CD2-CG1 4.42Å; L67-L99 HydrophobicContact CD1-CD1 3.77Å; L67-L99 HydrophobicContact CD1-CD2 3.84Å; L67-L99 HydrophobicContact CD1-CG 4.24Å |
| 68 | R | 94.6 | Very high | 92.3 | Very high | 103 Ų | 103 | 35 Ų | 35 | 39% | 0.389 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.8 | -37.4 | 178.4 | -165.7 | -165.2 | 74.2 | -175.8 | 8.8 | 112.7 | S64 M65 L66 R72 M268 D269 | S64-R68 WeakPolarHBondContact O-CB 3.49Å; S64-R68 PolarHBondContact O-N 3.42Å; M65-R68 PolarHBondContact O-N 3.4Å; L66-R68 PolarHBondContact O-N 2.67Å; R68-R72 VanDerWaalsContact NE-NH1 3.2Å; R68-R72 WeakPolarHBondContact O-CB 3.27Å; R68-R72 WeakPolarHBondContact O-CD 3.45Å; R68-R72 VanDerWaalsContact O-CG 3.27Å; R68-R72 WeakPolarHBondContact O-CG 3.46Å; R68-R72 PolarHBondContact O-N 2.95Å; R68-R72 VanDerWaalsContact O-N 3.17Å; R68-M268 PolarHBondContact NH2-O 2.93Å; R68-D269 IonicContact NH2-OD1 3.17Å |
| 69 | M | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -51.2 | 178 | -172.8 | -174.7 | 79.7 | 0 | 0 | 111.4 | M65 L66 L67 R72 W73 Y244 V267 M268 L272 | M65-M69 WeakPolarHBondContact O-CB 3.16Å; M65-M69 PolarHBondContact O-N 3.45Å; L66-M69 HydrophobicContact CD2-CE 3.48Å; L66-M69 VanDerWaalsContact CD2-CE 3.48Å; L66-M69 HydrophobicContact CD2-SD 4.14Å; L66-M69 WeakPolarHBondContact O-CB 3.29Å; L66-M69 PolarHBondContact O-N 3.31Å; L66-M69 VanDerWaalsContact O-N 3.15Å; L67-M69 VanDerWaalsContact C-N 3.28Å; L67-M69 PolarHBondContact O-N 3.5Å; M69-R72 PolarHBondContact O-N 3.49Å; M69-W73 PolarHBondContact O-N 3.2Å; M69-Y244 HydrophobicContact SD-CE1 3.93Å; M69-V267 VanDerWaalsContact CG-O 3.28Å; M69-V267 WeakPolarHBondContact CG-O 3.42Å; M69-M268 HydrophobicContact CB-CE 4.14Å; M69-M268 HydrophobicContact CG-CE 4.44Å; M69-M268 HydrophobicContact SD-CE 4.12Å; M69-M268 HydrophobicContact SD-SD 4.01Å; M69-L272 HydrophobicContact CE-CD1 4.14Å; M69-L272 HydrophobicContact CE-CD2 3.9Å; M69-L272 HydrophobicContact CG-CD1 4.44Å; M69-L272 HydrophobicContact CG-CD2 4.24Å; M69-L272 HydrophobicContact SD-CD2 3.91Å |
| 70 | Y | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.4 | -36.3 | -179.5 | -67.9 | -54.6 | 0 | 0 | 0 | 113.3 | L50 L66 L67 S74 L110 E113 H117 V138 L272 | L50-Y70 HydrophobicContact CD1-CD2 4.46Å; L50-Y70 HydrophobicContact CD2-CD2 4.06Å; L50-Y70 HydrophobicContact CD2-CE2 4.06Å; L66-Y70 HydrophobicContact CB-CD2 4.35Å; L66-Y70 HydrophobicContact CB-CE2 4.14Å; L66-Y70 HydrophobicContact CD2-CE2 4.11Å; L66-Y70 WeakPolarHBondContact O-CD2 3.43Å; L66-Y70 PolarHBondContact O-N 2.86Å; L67-Y70 PolarHBondContact O-N 2.86Å; Y70-S74 VanDerWaalsContact O-CB 3.3Å; Y70-S74 WeakPolarHBondContact O-CB 3.38Å; Y70-S74 PolarHBondContact O-N 3.32Å; Y70-S74 PolarHBondContact O-OG 3.01Å; Y70-L110 HydrophobicContact CD1-CD2 4.16Å; Y70-E113 HydrophobicContact CE1-CB 4.08Å; Y70-E113 HydrophobicContact CE1-CG 3.68Å; Y70-E113 VanDerWaalsContact CE1-OE2 3.25Å; Y70-E113 WeakPolarHBondContact CE1-OE2 3.32Å; Y70-E113 PolarHBondContact OH-OE2 3.25Å; Y70-H117 PolarHBondContact OH-CE1 3.41Å; Y70-H117 PolarHBondContact OH-ND1 3.38Å; Y70-V138 HydrophobicContact CE2-CG1 4.08Å; Y70-V138 HydrophobicContact CE2-CG2 3.98Å; Y70-L272 HydrophobicContact CD1-CD1 3.74Å; Y70-L272 HydrophobicContact CE1-CD1 3.63Å |
| 71 | T | 92.9 | Very high | 92.7 | Very high | 31 Ų | 31 | 39.5 Ų | 39.5 | 19% | 0.19 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.6 | -50.6 | 171.5 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | L67 S74 E75 | L67-T71 WeakPolarHBondContact O-CB 3.34Å; L67-T71 PolarHBondContact O-N 2.86Å; L67-T71 PolarHBondContact O-OG1 2.87Å; L67-T71 VanDerWaalsContact O-OG1 3.04Å; T71-S74 WeakPolarHBondContact O-CB 3.46Å; T71-S74 PolarHBondContact O-N 3.04Å; T71-E75 HydrophobicContact CG2-CG 4.33Å; T71-E75 VanDerWaalsContact O-CG 3.31Å; T71-E75 WeakPolarHBondContact O-CG 3.44Å; T71-E75 PolarHBondContact O-N 2.7Å |
| 72 | R | 93.1 | Very high | 92.5 | Very high | 81 Ų | 81 | 42.1 Ų | 42.1 | 31% | 0.306 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.3 | -43.7 | -178.8 | -76.8 | 169.6 | 164.6 | -173.2 | -16.7 | 113.8 | R68 M69 S74 E75 Q76 D269 | R68-R72 VanDerWaalsContact NE-NH1 3.2Å; R68-R72 WeakPolarHBondContact O-CB 3.27Å; R68-R72 WeakPolarHBondContact O-CD 3.45Å; R68-R72 VanDerWaalsContact O-CG 3.27Å; R68-R72 WeakPolarHBondContact O-CG 3.46Å; R68-R72 PolarHBondContact O-N 2.95Å; R68-R72 VanDerWaalsContact O-N 3.17Å; M69-R72 PolarHBondContact O-N 3.49Å; R72-S74 VanDerWaalsContact C-N 3.27Å; R72-S74 PolarHBondContact O-N 3.33Å; R72-E75 PolarHBondContact O-N 3.33Å; R72-Q76 WeakPolarHBondContact O-CB 3.37Å; R72-Q76 VanDerWaalsContact O-CD 3.26Å; R72-Q76 WeakPolarHBondContact O-CG 3.45Å; R72-Q76 PolarHBondContact O-N 2.84Å; R72-D269 IonicContact CZ-OD1 2.72Å; R72-D269 IonicContact NH1-OD1 2.77Å; R72-D269 PolarHBondContact NH1-OD1 2.82Å; R72-D269 IonicContact NH2-OD1 3.87Å |
| 73 | W | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.8 | -40.5 | 174.9 | 173.1 | 80.9 | 0 | 0 | 0 | 111.6 | M69 Q76 H77 F79 Y109 L110 L272 D273 I276 | M69-W73 PolarHBondContact O-N 3.2Å; W73-Q76 PolarHBondContact O-N 3.15Å; W73-H77 AromaticContact CD1-CE1 3.78Å; W73-H77 AromaticContact CD1-ND1 3.7Å; W73-H77 AromaticContact CD2-ND1 3.98Å; W73-H77 AromaticContact CE2-CE1 3.64Å; W73-H77 AromaticContact CE2-ND1 3.49Å; W73-H77 AromaticContact CZ2-CE1 3.99Å; W73-H77 AromaticContact CZ2-ND1 3.9Å; W73-H77 AromaticContact NE1-CE1 3.18Å; W73-H77 PolarHBondContact NE1-CE1 3.33Å; W73-H77 AromaticContact NE1-ND1 3.36Å; W73-H77 PolarHBondContact NE1-ND1 3.31Å; W73-H77 PolarHBondContact O-N 3.02Å; W73-H77 PolarHBondContact O-ND1 2.91Å; W73-F79 HydrophobicContact CH2-CD2 4.31Å; W73-F79 AromaticContact CH2-CE2 3.68Å; W73-F79 HydrophobicContact CH2-CE2 3.68Å; W73-F79 HydrophobicContact CZ3-CD2 4.05Å; W73-F79 AromaticContact CZ3-CE2 3.9Å; W73-F79 HydrophobicContact CZ3-CE2 3.9Å; W73-Y109 HydrophobicContact CH2-CD2 4.32Å; W73-Y109 HydrophobicContact CH2-CG 4.17Å; W73-Y109 HydrophobicContact CZ2-CG 4.2Å; W73-L110 HydrophobicContact CE3-CD2 3.93Å; W73-L110 HydrophobicContact CE3-CG 4.43Å; W73-L110 HydrophobicContact CH2-CD2 4.22Å; W73-L110 HydrophobicContact CH2-CG 3.99Å; W73-L110 HydrophobicContact CZ3-CD1 3.88Å; W73-L110 HydrophobicContact CZ3-CD2 3.58Å; W73-L110 HydrophobicContact CZ3-CG 3.59Å; W73-L272 HydrophobicContact CB-CD1 3.88Å; W73-L272 HydrophobicContact CB-CG 4.39Å; W73-L272 HydrophobicContact CD2-CD1 4.38Å; W73-L272 HydrophobicContact CG-CB 4.25Å; W73-L272 HydrophobicContact CG-CD1 3.83Å; W73-L272 HydrophobicContact CG-CG 4.27Å; W73-D273 PolarHBondContact NE1-OD1 2.85Å; W73-I276 HydrophobicContact CH2-CD1 4.47Å; W73-I276 HydrophobicContact CZ2-CD1 3.57Å |
| 74 | S | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 177.2 | -57.1 | 0 | 0 | 0 | 0 | 112 | Y70 T71 R72 H77 G78 F79 | Y70-S74 VanDerWaalsContact O-CB 3.3Å; Y70-S74 WeakPolarHBondContact O-CB 3.38Å; Y70-S74 PolarHBondContact O-N 3.32Å; Y70-S74 PolarHBondContact O-OG 3.01Å; T71-S74 WeakPolarHBondContact O-CB 3.46Å; T71-S74 PolarHBondContact O-N 3.04Å; R72-S74 VanDerWaalsContact C-N 3.27Å; R72-S74 PolarHBondContact O-N 3.33Å; S74-H77 CarbonylContact O-C 3.52Å; S74-H77 PolarHBondContact O-N 3.4Å; S74-G78 PolarHBondContact O-N 2.98Å; S74-G78 VanDerWaalsContact O-N 3.13Å; S74-F79 PolarHBondContact O-N 3.45Å |
| 75 | E | 90 | Very high | 91.5 | Very high | 122 Ų | 122 | 52.5 Ų | 52.5 | 57% | 0.57 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.7 | -40.9 | 174.8 | -72.2 | 170.2 | 157.6 | 0 | 0 | 111.7 | T71 R72 H77 G78 | T71-E75 HydrophobicContact CG2-CG 4.33Å; T71-E75 VanDerWaalsContact O-CG 3.31Å; T71-E75 WeakPolarHBondContact O-CG 3.44Å; T71-E75 PolarHBondContact O-N 2.7Å; R72-E75 PolarHBondContact O-N 3.33Å; E75-H77 VanDerWaalsContact C-N 3.28Å; E75-H77 PolarHBondContact O-N 3.04Å; E75-G78 PolarHBondContact O-N 3.5Å |
| 76 | Q | 89.1 | Confident | 91.4 | Very high | 120 Ų | 120 | 57 Ų | 57 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.4 | -35.2 | 174.5 | -73 | 157.8 | 9.3 | 0 | 0 | 111.9 | R72 W73 G78 D269 | R72-Q76 WeakPolarHBondContact O-CB 3.37Å; R72-Q76 VanDerWaalsContact O-CD 3.26Å; R72-Q76 WeakPolarHBondContact O-CG 3.45Å; R72-Q76 PolarHBondContact O-N 2.84Å; W73-Q76 PolarHBondContact O-N 3.15Å; Q76-G78 VanDerWaalsContact C-N 3.29Å; Q76-G78 PolarHBondContact O-N 2.94Å; Q76-D269 PolarHBondContact NE2-O 3.46Å |
| 77 | H | 86.5 | Confident | 91.1 | Very high | 65 Ų | 65 | 61.1 Ų | 61.1 | 30% | 0.301 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -1 | 173.3 | -80.1 | 76.3 | 0 | 0 | 0 | 114.5 | W73 S74 E75 F79 D273 | W73-H77 AromaticContact CD1-CE1 3.78Å; W73-H77 AromaticContact CD1-ND1 3.7Å; W73-H77 AromaticContact CD2-ND1 3.98Å; W73-H77 AromaticContact CE2-CE1 3.64Å; W73-H77 AromaticContact CE2-ND1 3.49Å; W73-H77 AromaticContact CZ2-CE1 3.99Å; W73-H77 AromaticContact CZ2-ND1 3.9Å; W73-H77 AromaticContact NE1-CE1 3.18Å; W73-H77 PolarHBondContact NE1-CE1 3.33Å; W73-H77 AromaticContact NE1-ND1 3.36Å; W73-H77 PolarHBondContact NE1-ND1 3.31Å; W73-H77 PolarHBondContact O-N 3.02Å; W73-H77 PolarHBondContact O-ND1 2.91Å; S74-H77 CarbonylContact O-C 3.52Å; S74-H77 PolarHBondContact O-N 3.4Å; E75-H77 VanDerWaalsContact C-N 3.28Å; E75-H77 PolarHBondContact O-N 3.04Å; H77-F79 VanDerWaalsContact C-N 3.27Å; H77-F79 HydrophobicContact CB-CD1 4.44Å; H77-F79 HydrophobicContact CB-CD2 3.79Å; H77-F79 HydrophobicContact CB-CE1 4.38Å; H77-F79 HydrophobicContact CB-CE2 3.7Å; H77-F79 HydrophobicContact CB-CG 4.18Å; H77-F79 HydrophobicContact CB-CZ 4.02Å; H77-F79 PolarHBondContact O-N 3.32Å; H77-D273 IonicContact CE1-OD1 3.26Å; H77-D273 PolarHBondContact CE1-OD1 3.34Å; H77-D273 IonicContact CE1-OD2 3.76Å; H77-D273 PolarHBondContact CE1-OD2 3.39Å; H77-D273 VanDerWaalsContact CE1-OD2 3.32Å; H77-D273 IonicContact NE2-OD1 2.67Å; H77-D273 IonicContact NE2-OD2 2.76Å |
| 78 | G | 85.3 | Confident | 90.5 | Very high | 66 Ų | 66 | 63.5 Ų | 63.5 | 68% | 0.68 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 18.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S74 E75 Q76 | S74-G78 PolarHBondContact O-N 2.98Å; S74-G78 VanDerWaalsContact O-N 3.13Å; E75-G78 PolarHBondContact O-N 3.5Å; Q76-G78 VanDerWaalsContact C-N 3.29Å; Q76-G78 PolarHBondContact O-N 2.94Å |
| 79 | F | 93.2 | Very high | 90 | Very high | 23 Ų | 23 | 59.2 Ų | 59.2 | 10% | 0.101 | 32% | 0.32 | C | S | . | . | trans | -80.8 | 143.8 | 174.5 | -57.8 | -30.4 | 0 | 0 | 0 | 111.4 | W73 S74 H77 I101 K102 T104 A106 Y109 | W73-F79 HydrophobicContact CH2-CD2 4.31Å; W73-F79 AromaticContact CH2-CE2 3.68Å; W73-F79 HydrophobicContact CH2-CE2 3.68Å; W73-F79 HydrophobicContact CZ3-CD2 4.05Å; W73-F79 AromaticContact CZ3-CE2 3.9Å; W73-F79 HydrophobicContact CZ3-CE2 3.9Å; S74-F79 PolarHBondContact O-N 3.45Å; H77-F79 VanDerWaalsContact C-N 3.27Å; H77-F79 HydrophobicContact CB-CD1 4.44Å; H77-F79 HydrophobicContact CB-CD2 3.79Å; H77-F79 HydrophobicContact CB-CE1 4.38Å; H77-F79 HydrophobicContact CB-CE2 3.7Å; H77-F79 HydrophobicContact CB-CG 4.18Å; H77-F79 HydrophobicContact CB-CZ 4.02Å; H77-F79 PolarHBondContact O-N 3.32Å; F79-I101 HydrophobicContact CB-CG2 3.75Å; F79-I101 HydrophobicContact CD2-CG2 3.96Å; F79-I101 HydrophobicContact CG-CG2 4.21Å; F79-K102 WeakPolarHBondContact CA-O 3.32Å; F79-T104 WeakPolarHBondContact CE1-O 3.34Å; F79-A106 HydrophobicContact CD2-CB 4.26Å; F79-A106 HydrophobicContact CE2-CB 4.17Å; F79-A106 HydrophobicContact CZ-CB 4.38Å; F79-Y109 HydrophobicContact CE2-CD2 4.29Å; F79-Y109 HydrophobicContact CZ-CD2 4.02Å; F79-Y109 HydrophobicContact CZ-CE2 4.1Å | ||
| 80 | S | 89.9 | Confident | 89.1 | Confident | 66 Ų | 66 | 64.7 Ų | 64.7 | 46% | 0.462 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 116.1 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | K102 | S80-K102 PolarHBondContact N-O 3.44Å; S80-K102 PolarHBondContact O-N 2.64Å |
| 81 | V | 92.3 | Very high | 88.2 | Confident | 39 Ų | 39 | 72.2 Ų | 72.2 | 24% | 0.236 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 110.6 | 178.3 | -172.6 | 0 | 0 | 0 | 0 | 110.1 | L99 I101 | V81-L99 HydrophobicContact CG1-CD1 4.4Å; V81-L99 HydrophobicContact CG1-CD2 4.2Å; V81-I101 HydrophobicContact CG1-CG1 4.37Å; V81-I101 HydrophobicContact CG2-CG1 4.39Å |
| 82 | E | 89.6 | Confident | 87.7 | Confident | 83 Ų | 83 | 71.8 Ų | 71.8 | 39% | 0.388 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 141.8 | 170.3 | -70.6 | 170.3 | -149.9 | 0 | 0 | 109.5 | L99 M100 K102 | E82-L99 CarbonylContact O-C 3.59Å; E82-L99 WeakPolarHBondContact O-CA 3.39Å; E82-M100 HydrophobicContact CB-CB 4.3Å; E82-M100 PolarHBondContact N-O 3.14Å; E82-M100 PolarHBondContact O-N 3.39Å; E82-K102 VanDerWaalsContact OE1-CE 3.32Å; E82-K102 WeakPolarHBondContact OE1-CE 3.43Å; E82-K102 IonicContact OE1-NZ 2.75Å; E82-K102 PolarHBondContact OE1-NZ 2.77Å; E82-K102 WeakPolarHBondContact OE2-CE 3.5Å; E82-K102 IonicContact OE2-NZ 2.83Å; E82-K102 PolarHBondContact OE2-NZ 2.61Å |
| 83 | T | 90.8 | Very high | 87.5 | Confident | 81 Ų | 81 | 69 Ų | 69 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.2 | 173.7 | -55.8 | 0 | 0 | 0 | 0 | 109.2 | D85 V97 L99 | T83-D85 WeakPolarHBondContact CG2-O 3.28Å; T83-V97 HydrophobicContact CG2-CG2 3.84Å; T83-L99 HydrophobicContact CG2-CD2 4.29Å |
| 84 | I | 85.4 | Confident | 87.4 | Confident | 105 Ų | 105 | 69 Ų | 69 | 54% | 0.538 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -51.2 | -179.4 | -60 | 164.5 | 0 | 0 | 0 | 110.8 | T98 M100 | I84-T98 HydrophobicContact CB-CG2 4.14Å; I84-T98 HydrophobicContact CD1-CG2 3.95Å; I84-T98 PolarHBondContact N-O 2.89Å; I84-M100 HydrophobicContact CD1-CB 3.7Å; I84-M100 HydrophobicContact CD1-CE 4.48Å; I84-M100 HydrophobicContact CG1-CB 4.01Å |
| 85 | D | 84 | Confident | 87 | Confident | 65 Ų | 65 | 73.2 Ų | 73.2 | 35% | 0.348 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 146 | 173.9 | -177.3 | 38.2 | 0 | 0 | 0 | 109.4 | T83 Q87 V97 T98 | T83-D85 WeakPolarHBondContact CG2-O 3.28Å; D85-Q87 PolarHBondContact OD2-NE2 3.46Å; D85-V97 WeakPolarHBondContact O-CA 3.21Å; D85-V97 VanDerWaalsContact O-CG2 3.3Å; D85-V97 WeakPolarHBondContact O-CG2 3.38Å; D85-T98 PolarHBondContact N-O 3.19Å; D85-T98 PolarHBondContact O-N 3.43Å |
| 86 | Y | 92.2 | Very high | 87 | Confident | 121 Ų | 121 | 68 Ų | 68 | 48% | 0.475 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 119.6 | 176.4 | -178.7 | -83.8 | 0 | 0 | 0 | 109.6 | L67 I94 V97 | L67-Y86 HydrophobicContact CD2-CD2 4.44Å; L67-Y86 HydrophobicContact CD2-CE2 3.86Å; Y86-I94 HydrophobicContact CD2-CG2 4.45Å; Y86-I94 HydrophobicContact CE2-CG2 3.57Å; Y86-V97 HydrophobicContact CD2-CB 4.24Å; Y86-V97 HydrophobicContact CD2-CG2 3.75Å |
| 87 | Q | 87.5 | Confident | 87.3 | Confident | 86 Ų | 86 | 62.3 Ų | 62.3 | 40% | 0.402 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 117.9 | 174.4 | -59.7 | 179.2 | 38.1 | 0 | 0 | 107.8 | D85 I94 K95 S96 | D85-Q87 PolarHBondContact OD2-NE2 3.46Å; Q87-I94 CarbonylContact O-C 3.48Å; Q87-K95 HydrophobicContact CB-CB 3.99Å; Q87-K95 PolarHBondContact O-N 3.41Å; Q87-S96 WeakPolarHBondContact CG-OG 3.4Å; Q87-S96 PolarHBondContact N-O 2.86Å; Q87-S96 PolarHBondContact NE2-OG 3.38Å; Q87-S96 PolarHBondContact O-N 3.41Å |
| 88 | S | 83.6 | Confident | 87.6 | Confident | 77 Ų | 77 | 60.1 Ų | 60.1 | 54% | 0.538 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 147.6 | 175.5 | 52.8 | 0 | 0 | 0 | 0 | 111.2 | K95 | S88-K95 WeakPolarHBondContact O-CB 3.5Å |
| 89 | G | 84.6 | Confident | 88 | Confident | 13 Ų | 13 | 57 Ų | 57 | 13% | 0.134 | 31% | 0.308 | C | S | . | . | trans | -61.8 | 158.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G93 | G89-G93 PolarHBondContact N-O 3.15Š| ||
| 90 | D | 77.5 | Confident | 88.1 | Confident | 115 Ų | 115 | 56.7 Ų | 56.7 | 62% | 0.615 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -79.7 | -23.4 | -174.2 | -52.8 | -84.1 | 0 | 0 | 0 | 112 | Q60 K95 | Q60-D90 PolarHBondContact NE2-OD2 2.98Å; D90-K95 IonicContact OD1-NZ 2.7Å; D90-K95 PolarHBondContact OD1-NZ 2.89Å; D90-K95 IonicContact OD2-NZ 3.4Å; D90-K95 PolarHBondContact OD2-NZ 2.82Å |
| 91 | E | 77.1 | Confident | 88.3 | Confident | 158 Ų | 158 | 53.5 Ų | 53.5 | 74% | 0.738 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -124.5 | -44.3 | 172.7 | -70 | -177.2 | 150.4 | 0 | 0 | 112.4 | T57 | T57-E91 WeakPolarHBondContact CB-OE2 3.39Å; T57-E91 HydrophobicContact CG2-CB 3.7Å; T57-E91 WeakPolarHBondContact CG2-OE2 3.31Å; T57-E91 PolarHBondContact OG1-OE2 2.82Å |
| 92 | A | 81.6 | Confident | 88.2 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -152.8 | 155.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T57 Q60 F125 | T57-A92 HydrophobicContact CG2-CB 3.82Å; Q60-A92 WeakPolarHBondContact CB-O 3.26Å; A92-F125 HydrophobicContact CB-CE1 3.76Å; A92-F125 HydrophobicContact CB-CE2 4.48Å; A92-F125 HydrophobicContact CB-CZ 3.65Å |
| 93 | G | 89.5 | Confident | 88 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 71.7 | -141.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q60 G89 | Q60-G93 WeakPolarHBondContact O-CA 3.13Å; G89-G93 PolarHBondContact N-O 3.15Å |
| 94 | I | 92 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 154.2 | -178.1 | 64.7 | 174.7 | 0 | 0 | 0 | 111.8 | L50 P52 Q60 G63 L67 Y86 Q87 V97 | L50-I94 HydrophobicContact CB-CD1 4.2Å; L50-I94 HydrophobicContact CD1-CD1 4.38Å; P52-I94 HydrophobicContact CG-CG1 4.25Å; P52-I94 WeakPolarHBondContact CG-O 3.31Å; Q60-I94 WeakPolarHBondContact CA-O 3.46Å; Q60-I94 WeakPolarHBondContact CB-O 3.44Å; Q60-I94 VanDerWaalsContact CG-O 3.25Å; Q60-I94 WeakPolarHBondContact CG-O 3.33Å; Q60-I94 PolarHBondContact O-N 3.1Å; G63-I94 VanDerWaalsContact C-CD1 3.47Å; G63-I94 WeakPolarHBondContact O-CD1 3.3Å; L67-I94 HydrophobicContact CB-CD1 4.47Å; L67-I94 HydrophobicContact CD2-CG2 4.09Å; Y86-I94 HydrophobicContact CD2-CG2 4.45Å; Y86-I94 HydrophobicContact CE2-CG2 3.57Å; Q87-I94 CarbonylContact O-C 3.48Å; I94-V97 HydrophobicContact CD1-CB 4.07Å; I94-V97 HydrophobicContact CD1-CG1 3.53Å |
| 95 | K | 86.1 | Confident | 87.6 | Confident | 89 Ų | 89 | 49.8 Ų | 49.8 | 39% | 0.387 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -37.2 | 171.9 | -162.3 | -169.8 | -158.2 | 90.4 | 0 | 111.3 | P52 Q87 S88 D90 | P52-K95 WeakPolarHBondContact CD-O 3.41Å; Q87-K95 HydrophobicContact CB-CB 3.99Å; Q87-K95 PolarHBondContact O-N 3.41Å; S88-K95 WeakPolarHBondContact O-CB 3.5Å; D90-K95 IonicContact OD1-NZ 2.7Å; D90-K95 PolarHBondContact OD1-NZ 2.89Å; D90-K95 IonicContact OD2-NZ 3.4Å; D90-K95 PolarHBondContact OD2-NZ 2.82Å |
| 96 | S | 90.1 | Very high | 87.8 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 156.9 | 165.6 | 57.7 | 0 | 0 | 0 | 0 | 109.4 | L50 Q87 | L50-S96 WeakPolarHBondContact O-CA 3.41Å; Q87-S96 WeakPolarHBondContact CG-OG 3.4Å; Q87-S96 PolarHBondContact N-O 2.86Å; Q87-S96 PolarHBondContact NE2-OG 3.38Å; Q87-S96 PolarHBondContact O-N 3.41Å |
| 97 | V | 94.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 142.7 | 165.9 | 68.1 | 0 | 0 | 0 | 0 | 109.5 | E49 L50 L67 T83 D85 Y86 I94 L99 | E49-V97 CarbonylContact C-O 3.57Å; E49-V97 WeakPolarHBondContact CA-O 3.46Å; L50-V97 HydrophobicContact CB-CG1 3.88Å; L50-V97 HydrophobicContact CD1-CG1 3.8Å; L50-V97 HydrophobicContact CG-CG1 3.9Å; L50-V97 PolarHBondContact N-O 3.03Å; L50-V97 PolarHBondContact O-N 2.89Å; L67-V97 HydrophobicContact CD1-CG1 4.23Å; L67-V97 HydrophobicContact CD1-CG2 4.39Å; L67-V97 HydrophobicContact CD2-CG1 4.42Å; T83-V97 HydrophobicContact CG2-CG2 3.84Å; D85-V97 WeakPolarHBondContact O-CA 3.21Å; D85-V97 VanDerWaalsContact O-CG2 3.3Å; D85-V97 WeakPolarHBondContact O-CG2 3.38Å; Y86-V97 HydrophobicContact CD2-CB 4.24Å; Y86-V97 HydrophobicContact CD2-CG2 3.75Å; I94-V97 HydrophobicContact CD1-CB 4.07Å; I94-V97 HydrophobicContact CD1-CG1 3.53Å; V97-L99 HydrophobicContact CG2-CD2 3.89Å; V97-L99 HydrophobicContact CG2-CG 4.38Å |
| 98 | T | 93.6 | Very high | 87.7 | Confident | 20 Ų | 20 | 38 Ų | 38 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 117.1 | 172.2 | -60.9 | 0 | 0 | 0 | 0 | 109 | I47 V48 E49 I84 D85 | I47-T98 HydrophobicContact CG2-CG2 3.74Å; V48-T98 WeakPolarHBondContact O-CA 3.34Å; E49-T98 HydrophobicContact CG-CG2 4.05Å; I84-T98 HydrophobicContact CB-CG2 4.14Å; I84-T98 HydrophobicContact CD1-CG2 3.95Å; I84-T98 PolarHBondContact N-O 2.89Å; D85-T98 PolarHBondContact N-O 3.19Å; D85-T98 PolarHBondContact O-N 3.43Å |
| 99 | L | 94 | Very high | 88 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 141.1 | 178.3 | -55.8 | 176.2 | 0 | 0 | 0 | 110.4 | I47 V48 L67 V81 E82 T83 V97 I101 | I47-L99 CarbonylContact C-O 3.09Å; I47-L99 VanDerWaalsContact CA-O 3.31Å; I47-L99 WeakPolarHBondContact CA-O 3.35Å; V48-L99 HydrophobicContact CB-CB 4.44Å; V48-L99 PolarHBondContact N-O 3.4Å; V48-L99 PolarHBondContact O-N 3.46Å; L67-L99 HydrophobicContact CD1-CD1 3.77Å; L67-L99 HydrophobicContact CD1-CD2 3.84Å; L67-L99 HydrophobicContact CD1-CG 4.24Å; V81-L99 HydrophobicContact CG1-CD1 4.4Å; V81-L99 HydrophobicContact CG1-CD2 4.2Å; E82-L99 CarbonylContact O-C 3.59Å; E82-L99 WeakPolarHBondContact O-CA 3.39Å; T83-L99 HydrophobicContact CG2-CD2 4.29Å; V97-L99 HydrophobicContact CG2-CD2 3.89Å; V97-L99 HydrophobicContact CG2-CG 4.38Å; L99-I101 HydrophobicContact CB-CG1 4.27Å |
| 100 | M | 94.8 | Very high | 88.3 | Confident | 16 Ų | 16 | 35.4 Ų | 35.4 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 112.5 | 162.7 | 175.7 | 63.1 | 83.6 | 0 | 0 | 108.3 | N45 A46 I47 E82 I84 K102 E143 | N45-M100 HydrophobicContact CB-SD 3.93Å; A46-M100 CarbonylContact O-C 3.53Å; A46-M100 WeakPolarHBondContact O-CA 3.42Å; I47-M100 HydrophobicContact CD1-CE 3.94Å; I47-M100 HydrophobicContact CG1-CE 3.57Å; I47-M100 HydrophobicContact CG1-SD 4.03Å; E82-M100 HydrophobicContact CB-CB 4.3Å; E82-M100 PolarHBondContact N-O 3.14Å; E82-M100 PolarHBondContact O-N 3.39Å; I84-M100 HydrophobicContact CD1-CB 3.7Å; I84-M100 HydrophobicContact CD1-CE 4.48Å; I84-M100 HydrophobicContact CG1-CB 4.01Å; M100-K102 HydrophobicContact CG-CD 4.22Å; M100-K102 HydrophobicContact CG-CG 3.73Å; M100-K102 HydrophobicContact SD-CG 4.34Å; M100-E143 HydrophobicContact CE-CB 4.1Å; M100-E143 HydrophobicContact CE-CG 3.87Å; M100-E143 VanDerWaalsContact CE-OE1 3.32Å; M100-E143 WeakPolarHBondContact CE-OE1 3.4Å; M100-E143 HydrophobicContact SD-CB 4.39Å |
| 101 | I | 94.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 105.3 | -178.5 | -60.6 | 167.7 | 0 | 0 | 0 | 107.2 | N45 A46 V48 F79 V81 L99 A106 L110 | N45-I101 WeakPolarHBondContact CA-O 3.33Å; A46-I101 HydrophobicContact CB-CB 4.4Å; A46-I101 PolarHBondContact N-O 3.32Å; A46-I101 PolarHBondContact O-N 3.31Å; V48-I101 HydrophobicContact CB-CD1 4.38Å; V48-I101 HydrophobicContact CG2-CD1 3.81Å; F79-I101 HydrophobicContact CB-CG2 3.75Å; F79-I101 HydrophobicContact CD2-CG2 3.96Å; F79-I101 HydrophobicContact CG-CG2 4.21Å; V81-I101 HydrophobicContact CG1-CG1 4.37Å; V81-I101 HydrophobicContact CG2-CG1 4.39Å; L99-I101 HydrophobicContact CB-CG1 4.27Å; I101-A106 HydrophobicContact CG2-CB 4.23Å; I101-A106 WeakPolarHBondContact O-CB 3.31Å; I101-L110 HydrophobicContact CB-CD1 4.34Å; I101-L110 HydrophobicContact CD1-CD1 3.62Å; I101-L110 HydrophobicContact CG2-CD1 4.26Å |
| 102 | K | 89.2 | Confident | 89.3 | Confident | 66 Ų | 66 | 23.2 Ų | 23.2 | 29% | 0.287 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 125.7 | -173.9 | -57.2 | -175.3 | -176 | 163.4 | 0 | 111.5 | N45 F79 S80 E82 M100 | N45-K102 HydrophobicContact CB-CG 4.31Å; N45-K102 VanDerWaalsContact OD1-CA 3.23Å; N45-K102 WeakPolarHBondContact OD1-CA 3.39Å; F79-K102 WeakPolarHBondContact CA-O 3.32Å; S80-K102 PolarHBondContact N-O 3.44Å; S80-K102 PolarHBondContact O-N 2.64Å; E82-K102 VanDerWaalsContact OE1-CE 3.32Å; E82-K102 WeakPolarHBondContact OE1-CE 3.43Å; E82-K102 IonicContact OE1-NZ 2.75Å; E82-K102 PolarHBondContact OE1-NZ 2.77Å; E82-K102 WeakPolarHBondContact OE2-CE 3.5Å; E82-K102 IonicContact OE2-NZ 2.83Å; E82-K102 PolarHBondContact OE2-NZ 2.61Å; M100-K102 HydrophobicContact CG-CD 4.22Å; M100-K102 HydrophobicContact CG-CG 3.73Å; M100-K102 HydrophobicContact SD-CG 4.34Å |
| 103 | G | 85.2 | Confident | 89.8 | Confident | 20 Ų | 20 | 22.1 Ų | 22.1 | 21% | 0.206 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 164.4 | 155.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N45 N105 A106 | N45-G103 PolarHBondContact OD1-N 2.7Å; G103-N105 PolarHBondContact O-N 2.78Å; G103-A106 WeakPolarHBondContact O-CB 3.48Å; G103-A106 PolarHBondContact O-N 2.73Å |
| 104 | T | 82.5 | Confident | 89.8 | Confident | 114 Ų | 114 | 24 Ų | 24 | 70% | 0.699 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 127.5 | 177.6 | -51.5 | 0 | 0 | 0 | 0 | 110.3 | F79 A106 | F79-T104 WeakPolarHBondContact CE1-O 3.34Å; T104-A106 PolarHBondContact O-N 3.27Å |
| 105 | N | 86.3 | Confident | 89.7 | Confident | 30 Ų | 30 | 24.8 Ų | 24.8 | 16% | 0.16 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 13.4 | -179.3 | -60.7 | 1.2 | 0 | 0 | 0 | 116 | L37 D42 K43 G103 Y107 G108 Y109 | L37-N105 HydrophobicContact CD1-CB 3.98Å; L37-N105 WeakPolarHBondContact CD1-ND2 3.23Å; D42-N105 CarbonylContact O-C 3.57Å; D42-N105 VanDerWaalsContact O-CA 3.23Å; D42-N105 WeakPolarHBondContact O-CA 3.48Å; K43-N105 WeakPolarHBondContact CA-OD1 3.48Å; K43-N105 PolarHBondContact O-N 2.92Å; G103-N105 PolarHBondContact O-N 2.78Å; N105-Y107 PolarHBondContact O-N 3.13Å; N105-G108 WeakPolarHBondContact O-CA 3.37Å; N105-G108 PolarHBondContact O-N 3.16Å; N105-Y109 HydrophobicContact CB-CD2 4.17Å; N105-Y109 HydrophobicContact CB-CE2 3.83Å; N105-Y109 WeakPolarHBondContact O-CD2 3.42Å; N105-Y109 PolarHBondContact O-N 2.8Å; N105-Y109 VanDerWaalsContact O-N 3.08Å |
| 106 | A | 87.9 | Confident | 90 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -55.8 | -46.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A46 F79 I101 G103 T104 G108 L110 | A46-A106 HydrophobicContact CB-CB 4.36Å; F79-A106 HydrophobicContact CD2-CB 4.26Å; F79-A106 HydrophobicContact CE2-CB 4.17Å; F79-A106 HydrophobicContact CZ-CB 4.38Å; I101-A106 HydrophobicContact CG2-CB 4.23Å; I101-A106 WeakPolarHBondContact O-CB 3.31Å; G103-A106 WeakPolarHBondContact O-CB 3.48Å; G103-A106 PolarHBondContact O-N 2.73Å; T104-A106 PolarHBondContact O-N 3.27Å; A106-G108 VanDerWaalsContact C-N 3.33Å; A106-L110 WeakPolarHBondContact O-CB 3.39Å; A106-L110 WeakPolarHBondContact O-CG 3.42Å; A106-L110 PolarHBondContact O-N 3.04Å; A106-L110 VanDerWaalsContact O-N 3.14Å |
| 107 | Y | 91.1 | Very high | 90.3 | Very high | 23 Ų | 23 | 20.2 Ų | 20.2 | 9% | 0.09 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.3 | -38.2 | 173.6 | 175 | -102.6 | 0 | 0 | 0 | 111.9 | Y41 N44 N105 Y109 L110 K111 V140 M141 P142 | Y41-Y107 WeakPolarHBondContact O-CD1 3.36Å; N44-Y107 WeakPolarHBondContact O-CB 3.47Å; N44-Y107 PolarHBondContact O-N 2.76Å; N105-Y107 PolarHBondContact O-N 3.13Å; Y107-Y109 VanDerWaalsContact C-N 3.32Å; Y107-Y109 PolarHBondContact O-N 2.91Å; Y107-L110 PolarHBondContact O-N 3.02Å; Y107-K111 HydrophobicContact CE1-CB 4.36Å; Y107-K111 HydrophobicContact CE2-CB 4.31Å; Y107-K111 WeakPolarHBondContact O-CB 3.41Å; Y107-K111 PolarHBondContact O-N 3.01Å; Y107-V140 HydrophobicContact CD2-CG1 3.79Å; Y107-V140 HydrophobicContact CE2-CG1 3.94Å; Y107-M141 WeakPolarHBondContact CD2-O 3.26Å; Y107-M141 VanDerWaalsContact CE2-C 3.46Å; Y107-P142 HydrophobicContact CD1-CB 3.92Å; Y107-P142 HydrophobicContact CD2-CB 3.97Å; Y107-P142 VanDerWaalsContact CD2-N 3.31Å; Y107-P142 HydrophobicContact CE1-CB 4.23Å; Y107-P142 HydrophobicContact CE1-CG 4.37Å; Y107-P142 HydrophobicContact CE2-CB 4.29Å; Y107-P142 HydrophobicContact CE2-CG 4.35Å; Y107-P142 HydrophobicContact CG-CB 3.78Å |
| 108 | G | 86 | Confident | 90.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.4 | -40.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | L37 D42 N105 A106 K111 | L37-G108 VanDerWaalsContact CD2-C 3.43Å; L37-G108 VanDerWaalsContact CD2-O 3.27Å; L37-G108 WeakPolarHBondContact CD2-O 3.48Å; D42-G108 WeakPolarHBondContact O-CA 3.34Å; D42-G108 PolarHBondContact O-N 3.12Å; N105-G108 WeakPolarHBondContact O-CA 3.37Å; N105-G108 PolarHBondContact O-N 3.16Å; A106-G108 VanDerWaalsContact C-N 3.33Å; G108-K111 WeakPolarHBondContact O-CD 3.49Å; G108-K111 WeakPolarHBondContact O-CE 3.43Å; G108-K111 WeakPolarHBondContact O-CG 3.15Å; G108-K111 PolarHBondContact O-NZ 2.77Å |
| 109 | Y | 88.9 | Confident | 90.3 | Very high | 36 Ų | 36 | 21.3 Ų | 21.3 | 14% | 0.141 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -75.4 | -54.5 | 172.7 | -65 | -67.5 | 0 | 0 | 0 | 111.1 | L33 L37 W73 F79 N105 Y107 K111 S112 I276 | L33-Y109 HydrophobicContact CD2-CE1 3.99Å; L33-Y109 HydrophobicContact CG-CE1 4.15Å; L37-Y109 HydrophobicContact CD1-CD1 4.06Å; L37-Y109 HydrophobicContact CD1-CE1 3.51Å; L37-Y109 HydrophobicContact CD1-CE2 4.05Å; L37-Y109 HydrophobicContact CD2-CD1 4.33Å; W73-Y109 HydrophobicContact CH2-CD2 4.32Å; W73-Y109 HydrophobicContact CH2-CG 4.17Å; W73-Y109 HydrophobicContact CZ2-CG 4.2Å; F79-Y109 HydrophobicContact CE2-CD2 4.29Å; F79-Y109 HydrophobicContact CZ-CD2 4.02Å; F79-Y109 HydrophobicContact CZ-CE2 4.1Å; N105-Y109 HydrophobicContact CB-CD2 4.17Å; N105-Y109 HydrophobicContact CB-CE2 3.83Å; N105-Y109 WeakPolarHBondContact O-CD2 3.42Å; N105-Y109 PolarHBondContact O-N 2.8Å; N105-Y109 VanDerWaalsContact O-N 3.08Å; Y107-Y109 VanDerWaalsContact C-N 3.32Å; Y107-Y109 PolarHBondContact O-N 2.91Å; Y109-K111 VanDerWaalsContact C-N 3.27Å; Y109-K111 PolarHBondContact O-N 3.24Å; Y109-S112 WeakPolarHBondContact O-CB 2.97Å; Y109-S112 PolarHBondContact O-N 2.9Å; Y109-S112 PolarHBondContact O-OG 2.98Å; Y109-I276 HydrophobicContact CD1-CG2 4.09Å |
| 110 | L | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.8 | -18.4 | -171.4 | -72.1 | 164.6 | 0 | 0 | 0 | 114.3 | A46 V48 Y70 W73 I101 A106 Y107 S112 E113 V140 | A46-L110 HydrophobicContact CB-CD1 3.71Å; V48-L110 HydrophobicContact CG2-CD1 3.98Å; Y70-L110 HydrophobicContact CD1-CD2 4.16Å; W73-L110 HydrophobicContact CE3-CD2 3.93Å; W73-L110 HydrophobicContact CE3-CG 4.43Å; W73-L110 HydrophobicContact CH2-CD2 4.22Å; W73-L110 HydrophobicContact CH2-CG 3.99Å; W73-L110 HydrophobicContact CZ3-CD1 3.88Å; W73-L110 HydrophobicContact CZ3-CD2 3.58Å; W73-L110 HydrophobicContact CZ3-CG 3.59Å; I101-L110 HydrophobicContact CB-CD1 4.34Å; I101-L110 HydrophobicContact CD1-CD1 3.62Å; I101-L110 HydrophobicContact CG2-CD1 4.26Å; A106-L110 WeakPolarHBondContact O-CB 3.39Å; A106-L110 WeakPolarHBondContact O-CG 3.42Å; A106-L110 PolarHBondContact O-N 3.04Å; A106-L110 VanDerWaalsContact O-N 3.14Å; Y107-L110 PolarHBondContact O-N 3.02Å; L110-S112 PolarHBondContact O-N 3.46Å; L110-E113 HydrophobicContact CD2-CG 4.34Å; L110-E113 WeakPolarHBondContact O-CB 3.45Å; L110-E113 PolarHBondContact O-N 3.22Å; L110-V140 HydrophobicContact CB-CG1 3.88Å; L110-V140 WeakPolarHBondContact O-CG2 3.14Å |
| 111 | K | 88.3 | Confident | 90 | Very high | 17 Ų | 17 | 22.2 Ų | 22.2 | 7% | 0.074 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -21.4 | 173.2 | 78.6 | -162.6 | -177.3 | -141.2 | 0 | 113.4 | L36 D42 Y107 G108 Y109 L280 | L36-K111 PolarHBondContact O-NZ 2.83Å; D42-K111 WeakPolarHBondContact OD1-CD 3.08Å; D42-K111 IonicContact OD1-NZ 3.32Å; D42-K111 PolarHBondContact OD1-NZ 3.1Å; D42-K111 IonicContact OD2-NZ 3.74Å; D42-K111 PolarHBondContact OD2-NZ 3.3Å; Y107-K111 HydrophobicContact CE1-CB 4.36Å; Y107-K111 HydrophobicContact CE2-CB 4.31Å; Y107-K111 WeakPolarHBondContact O-CB 3.41Å; Y107-K111 PolarHBondContact O-N 3.01Å; G108-K111 WeakPolarHBondContact O-CD 3.49Å; G108-K111 WeakPolarHBondContact O-CE 3.43Å; G108-K111 WeakPolarHBondContact O-CG 3.15Å; G108-K111 PolarHBondContact O-NZ 2.77Å; Y109-K111 VanDerWaalsContact C-N 3.27Å; Y109-K111 PolarHBondContact O-N 3.24Å; K111-L280 VanDerWaalsContact CE-CD2 3.49Å |
| 112 | S | 87.7 | Confident | 89.6 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -29 | 174 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | Y109 L110 K114 R256 | Y109-S112 WeakPolarHBondContact O-CB 2.97Å; Y109-S112 PolarHBondContact O-N 2.9Å; Y109-S112 PolarHBondContact O-OG 2.98Å; L110-S112 PolarHBondContact O-N 3.46Å; S112-K114 VanDerWaalsContact C-N 3.3Å; S112-K114 PolarHBondContact O-N 3.28Å; S112-R256 VanDerWaalsContact O-CZ 3.24Å; S112-R256 PolarHBondContact O-NH1 3.46Å; S112-R256 PolarHBondContact O-NH2 3.09Å |
| 113 | E | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -84.1 | -5.2 | -177.2 | -60.4 | -62.5 | 99.8 | 0 | 0 | 112.9 | Y70 L110 G115 H117 V138 R242 | Y70-E113 HydrophobicContact CE1-CB 4.08Å; Y70-E113 HydrophobicContact CE1-CG 3.68Å; Y70-E113 VanDerWaalsContact CE1-OE2 3.25Å; Y70-E113 WeakPolarHBondContact CE1-OE2 3.32Å; Y70-E113 PolarHBondContact OH-OE2 3.25Å; L110-E113 HydrophobicContact CD2-CG 4.34Å; L110-E113 WeakPolarHBondContact O-CB 3.45Å; L110-E113 PolarHBondContact O-N 3.22Å; E113-G115 PolarHBondContact O-N 3.28Å; E113-G115 VanDerWaalsContact O-N 3.11Å; E113-H117 PolarHBondContact O-NE2 2.96Å; E113-H117 IonicContact OE2-CE1 2.73Å; E113-H117 PolarHBondContact OE2-CE1 3.47Å; E113-V138 HydrophobicContact CB-CG1 4.31Å; E113-V138 WeakPolarHBondContact O-CB 3.15Å; E113-R242 IonicContact OE1-CZ 3.58Å; E113-R242 IonicContact OE1-NH1 2.63Å; E113-R242 PolarHBondContact OE1-NH1 3.46Å; E113-R242 IonicContact OE1-NH2 2.65Å; E113-R242 PolarHBondContact OE1-NH2 3.11Å; E113-R242 IonicContact OE2-CZ 2.8Å; E113-R242 IonicContact OE2-NH1 3.61Å; E113-R242 PolarHBondContact OE2-NH1 3.38Å; E113-R242 IonicContact OE2-NH2 2.69Å |
| 114 | K | 89.1 | Confident | 89.3 | Confident | 60 Ų | 60 | 26.1 Ų | 26.1 | 26% | 0.261 | 14% | 0.14 | S | C | . | . | trans | -67.9 | 109.7 | -177.1 | -174.9 | 175.5 | 177.6 | 167 | 0 | 112.2 | S112 V138 V140 L228 R229 | S112-K114 VanDerWaalsContact C-N 3.3Å; S112-K114 PolarHBondContact O-N 3.28Å; K114-V138 WeakPolarHBondContact CA-O 3.48Å; K114-V140 HydrophobicContact CB-CB 4.28Å; K114-V140 HydrophobicContact CB-CG2 4.27Å; K114-L228 PolarHBondContact NZ-O 3.42Å; K114-R229 WeakPolarHBondContact CE-O 3.41Å; K114-R229 PolarHBondContact NZ-O 3.24Å | ||
| 115 | G | 89.8 | Confident | 89.5 | Confident | 18 Ų | 18 | 25 Ų | 25 | 19% | 0.186 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.3 | -167.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E113 V138 | E113-G115 PolarHBondContact O-N 3.28Å; E113-G115 VanDerWaalsContact O-N 3.11Å; G115-V138 PolarHBondContact N-O 3.2Å; G115-V138 PolarHBondContact O-N 3.02Å |
| 116 | V | 91.5 | Very high | 89.2 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.024 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 123.4 | 179.9 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | F135 I235 Q240 I241 | V116-F135 HydrophobicContact CG1-CB 4.02Å; V116-F135 HydrophobicContact CG1-CD1 3.81Å; V116-F135 HydrophobicContact CG1-CG 4.39Å; V116-I235 HydrophobicContact CG1-CG2 4.11Å; V116-I235 HydrophobicContact CG2-CG2 4.38Å; V116-Q240 CarbonylContact O-C 3.57Å; V116-Q240 VanDerWaalsContact O-CA 3.22Å; V116-Q240 WeakPolarHBondContact O-CA 3.43Å; V116-I241 WeakPolarHBondContact O-CG1 3.41Å; V116-I241 PolarHBondContact O-N 2.77Å |
| 117 | H | 96.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124.2 | 178.3 | -77.9 | -131.1 | 0 | 0 | 0 | 109.9 | W62 L66 Y70 E113 C136 V138 I241 Y244 | W62-H117 HydrophobicContact CZ2-CB 4.25Å; W62-H117 PolarHBondContact NE1-O 3.02Å; L66-H117 HydrophobicContact CD1-CB 3.9Å; L66-H117 HydrophobicContact CD2-CB 4.36Å; Y70-H117 PolarHBondContact OH-CE1 3.41Å; Y70-H117 PolarHBondContact OH-ND1 3.38Å; E113-H117 PolarHBondContact O-NE2 2.96Å; E113-H117 IonicContact OE2-CE1 2.73Å; E113-H117 PolarHBondContact OE2-CE1 3.47Å; H117-C136 PolarHBondContact N-O 3.39Å; H117-C136 PolarHBondContact O-N 3.23Å; H117-V138 HydrophobicContact CB-CG2 4.38Å; H117-I241 VanDerWaalsContact NE2-CD1 3.3Å; H117-I241 WeakPolarHBondContact NE2-CD1 3.31Å; H117-Y244 HydrophobicContact CB-CE2 4.24Å; H117-Y244 AromaticContact ND1-CE2 3.46Å; H117-Y244 WeakPolarHBondContact ND1-CE2 3.2Å; H117-Y244 AromaticContact ND1-CZ 3.72Å; H117-Y244 PolarHBondContact ND1-OH 2.93Å; H117-Y244 VanDerWaalsContact ND1-OH 3.13Å |
| 118 | R | 94 | Very high | 88 | Confident | 44 Ų | 44 | 32.5 Ų | 32.5 | 17% | 0.166 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 127.7 | -173.2 | 176.8 | -173.4 | 166 | -165.9 | -3.7 | 111.8 | V120 T133 S134 F135 W237 Q240 R242 S243 Y244 | R118-V120 HydrophobicContact CG-CG2 4.38Å; R118-T133 HydrophobicContact CG-CG2 3.85Å; R118-S134 WeakPolarHBondContact CA-O 3.47Å; R118-F135 HydrophobicContact CB-CD1 3.86Å; R118-F135 HydrophobicContact CB-CE1 3.84Å; R118-F135 HydrophobicContact CG-CD1 3.99Å; R118-F135 HydrophobicContact CG-CE1 3.62Å; R118-F135 HydrophobicContact CG-CZ 4.01Å; R118-W237 VanDerWaalsContact NH2-CH2 3.26Å; R118-Q240 HydrophobicContact CB-CB 3.91Å; R118-Q240 HydrophobicContact CB-CG 4.17Å; R118-R242 PolarHBondContact N-O 3.31Å; R118-S243 CarbonylContact O-C 3.57Å; R118-S243 WeakPolarHBondContact O-CA 3.14Å; R118-Y244 PolarHBondContact O-N 3.18Å |
| 119 | L | 94.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 144.4 | 171.1 | 176.8 | 65.4 | 0 | 0 | 0 | 111.4 | W62 M65 R121 T133 S134 Y244 F246 | W62-L119 HydrophobicContact CB-CB 4.41Å; W62-L119 HydrophobicContact CB-CD2 3.87Å; W62-L119 HydrophobicContact CD2-CB 3.55Å; W62-L119 HydrophobicContact CD2-CD1 4.49Å; W62-L119 HydrophobicContact CD2-CD2 3.94Å; W62-L119 HydrophobicContact CD2-CG 4.2Å; W62-L119 HydrophobicContact CE3-CB 3.93Å; W62-L119 HydrophobicContact CE3-CD1 4Å; W62-L119 HydrophobicContact CE3-CD2 3.76Å; W62-L119 HydrophobicContact CE3-CG 4.11Å; W62-L119 HydrophobicContact CG-CB 3.73Å; W62-L119 HydrophobicContact CG-CD2 3.99Å; W62-L119 HydrophobicContact CG-CG 4.48Å; W62-L119 HydrophobicContact CZ2-CB 4.28Å; W62-L119 HydrophobicContact CZ3-CB 4.47Å; W62-L119 HydrophobicContact CZ3-CD1 4.06Å; M65-L119 HydrophobicContact SD-CD2 4.32Å; L119-R121 HydrophobicContact CD1-CB 4.39Å; L119-R121 HydrophobicContact CD1-CG 4.33Å; L119-R121 HydrophobicContact CD2-CG 3.96Å; L119-R121 HydrophobicContact CG-CG 4.08Å; L119-T133 VanDerWaalsContact O-CA 3.3Å; L119-T133 WeakPolarHBondContact O-CA 3.41Å; L119-S134 PolarHBondContact N-O 2.82Å; L119-S134 PolarHBondContact O-N 3.41Å; L119-Y244 CarbonylContact C-O 3.54Å; L119-F246 HydrophobicContact CD1-CD2 3.58Å; L119-F246 HydrophobicContact CD1-CE2 3.35Å; L119-F246 HydrophobicContact CD1-CZ 4.37Å |
| 120 | V | 91.2 | Very high | 87.2 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 99.2 | 170.8 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | R118 R131 T133 Y244 V245 F246 | R118-V120 HydrophobicContact CG-CG2 4.38Å; V120-R131 HydrophobicContact CG1-CG 3.93Å; V120-T133 HydrophobicContact CG2-CG2 4.2Å; V120-Y244 PolarHBondContact N-O 3.01Å; V120-V245 HydrophobicContact CB-CB 4.47Å; V120-V245 HydrophobicContact CB-CG1 4.21Å; V120-V245 HydrophobicContact CB-CG2 4.27Å; V120-V245 HydrophobicContact CG1-CG1 4.25Å; V120-V245 HydrophobicContact CG2-CG2 4.45Å; V120-F246 PolarHBondContact O-N 3.13Å |
| 121 | R | 92.1 | Very high | 87 | Confident | 29 Ų | 29 | 49.7 Ų | 49.7 | 11% | 0.109 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -136.5 | 172.9 | 177.8 | 66.4 | 169.8 | -174.6 | -162.1 | 3.9 | 111.3 | E58 D61 M65 L119 R131 H132 F246 | E58-R121 VanDerWaalsContact CD-NH2 3.27Å; E58-R121 VanDerWaalsContact OE1-CG 3.31Å; E58-R121 WeakPolarHBondContact OE1-CG 3.41Å; E58-R121 IonicContact OE1-CZ 2.69Å; E58-R121 IonicContact OE1-NE 2.82Å; E58-R121 PolarHBondContact OE1-NE 3.04Å; E58-R121 IonicContact OE1-NH2 3.33Å; E58-R121 PolarHBondContact OE1-NH2 3.42Å; E58-R121 IonicContact OE2-CZ 2.81Å; E58-R121 IonicContact OE2-NE 3.52Å; E58-R121 IonicContact OE2-NH2 3.68Å; E58-R121 PolarHBondContact OE2-NH2 2.87Å; D61-R121 IonicContact OD2-CZ 2.95Å; D61-R121 IonicContact OD2-NH1 3.89Å; D61-R121 PolarHBondContact OD2-NH1 3.41Å; D61-R121 IonicContact OD2-NH2 3.85Å; D61-R121 PolarHBondContact OD2-NH2 2.82Å; M65-R121 PolarHBondContact SD-NH1 3.26Å; L119-R121 HydrophobicContact CD1-CB 4.39Å; L119-R121 HydrophobicContact CD1-CG 4.33Å; L119-R121 HydrophobicContact CD2-CG 3.96Å; L119-R121 HydrophobicContact CG-CG 4.08Å; R121-R131 CarbonylContact O-C 3.52Å; R121-R131 VanDerWaalsContact O-CA 3.25Å; R121-R131 WeakPolarHBondContact O-CA 3.45Å; R121-R131 WeakPolarHBondContact O-CG 3.38Å; R121-H132 PolarHBondContact O-N 3.22Å; R121-F246 HydrophobicContact CB-CB 3.96Å; R121-F246 HydrophobicContact CB-CD2 4.39Å; R121-F246 HydrophobicContact CB-CG 4.32Å |
| 122 | I | 85.4 | Confident | 86.8 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -72 | 125.3 | 158 | -69.7 | 170.3 | 0 | 0 | 0 | 107.1 | S129 R130 H247 | I122-S129 WeakPolarHBondContact CG2-O 3.47Å; I122-R130 WeakPolarHBondContact CA-O 3.35Å; I122-H247 HydrophobicContact CG1-CB 4.37Å |
| 123 | S | 85.9 | Confident | 86.8 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.028 | 28% | 0.283 | C | S | . | . | trans | -74 | 133.3 | -178.6 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | E58 F125 D126 R130 | E58-S123 VanDerWaalsContact CD-CB 3.48Å; E58-S123 VanDerWaalsContact CD-OG 3.27Å; E58-S123 WeakPolarHBondContact OE1-CA 3.46Å; E58-S123 WeakPolarHBondContact OE1-CB 3.34Å; E58-S123 VanDerWaalsContact OE2-CB 3.3Å; E58-S123 WeakPolarHBondContact OE2-CB 3.43Å; E58-S123 PolarHBondContact OE2-OG 3.09Å; S123-F125 VanDerWaalsContact C-N 3.27Å; S123-F125 PolarHBondContact OG-N 3.33Å; S123-F125 VanDerWaalsContact OG-N 3.14Å; S123-D126 PolarHBondContact OG-N 3.11Å; S123-R130 PolarHBondContact N-O 2.81Å | ||
| 124 | P | 83.4 | Confident | 86.7 | Confident | 91 Ų | 91 | 53.7 Ų | 53.7 | 59% | 0.591 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -75.8 | -15.3 | 171.1 | 32.9 | -35.1 | 0 | 0 | 0 | 112.8 | ||
| 125 | F | 85.4 | Confident | 87 | Confident | 91 Ų | 91 | 50.9 Ų | 50.9 | 40% | 0.399 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -93 | -18.2 | 179.9 | -46.4 | -64.1 | 0 | 0 | 0 | 112.4 | T57 E58 D61 A92 S123 S127 | T57-F125 HydrophobicContact CG2-CD1 4.42Å; T57-F125 HydrophobicContact CG2-CD2 4.11Å; T57-F125 HydrophobicContact CG2-CE2 4.28Å; T57-F125 HydrophobicContact CG2-CG 4.19Å; E58-F125 WeakPolarHBondContact OE2-CD2 3.5Å; D61-F125 HydrophobicContact CB-CE2 3.53Å; D61-F125 HydrophobicContact CB-CZ 3.81Å; A92-F125 HydrophobicContact CB-CE1 3.76Å; A92-F125 HydrophobicContact CB-CE2 4.48Å; A92-F125 HydrophobicContact CB-CZ 3.65Å; S123-F125 VanDerWaalsContact C-N 3.27Å; S123-F125 PolarHBondContact OG-N 3.33Å; S123-F125 VanDerWaalsContact OG-N 3.14Å; F125-S127 PolarHBondContact O-N 3.15Å |
| 126 | D | 81.5 | Confident | 87.2 | Confident | 31 Ų | 31 | 50 Ų | 50 | 17% | 0.166 | 26% | 0.262 | C | S | . | . | trans | -80.7 | 109.3 | 172.2 | -172.4 | -9.1 | 0 | 0 | 0 | 111.1 | S123 A128 S129 R130 H132 | S123-D126 PolarHBondContact OG-N 3.11Å; D126-A128 PolarHBondContact O-N 3.42Å; D126-A128 WeakPolarHBondContact OD1-CB 3.48Å; D126-A128 PolarHBondContact OD1-N 3.47Å; D126-S129 WeakPolarHBondContact O-CA 3.31Å; D126-S129 PolarHBondContact O-N 3.24Å; D126-R130 VanDerWaalsContact OD2-CB 3.26Å; D126-R130 WeakPolarHBondContact OD2-CB 3.25Å; D126-R130 WeakPolarHBondContact OD2-CD 3.49Å; D126-R130 WeakPolarHBondContact OD2-CG 3.09Å; D126-H132 WeakPolarHBondContact CB-NE2 3.45Å; D126-H132 IonicContact OD2-CD2 3.21Å; D126-H132 IonicContact OD2-CE1 3.55Å; D126-H132 IonicContact OD2-NE2 3.96Å; D126-H132 PolarHBondContact OD2-NE2 2.87Å | ||
| 127 | S | 76.9 | Confident | 87.2 | Confident | 126 Ų | 126 | 50.4 Ų | 50.4 | 88% | 0.881 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -18.5 | 173.5 | 63 | 0 | 0 | 0 | 0 | 115.4 | F125 | F125-S127 PolarHBondContact O-N 3.15Š|
| 128 | A | 77 | Confident | 87.1 | Confident | 54 Ų | 54 | 50.5 Ų | 50.5 | 45% | 0.446 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 7.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D126 R130 | D126-A128 PolarHBondContact O-N 3.42Å; D126-A128 WeakPolarHBondContact OD1-CB 3.48Å; D126-A128 PolarHBondContact OD1-N 3.47Å; A128-R130 HydrophobicContact CB-CG 3.98Å; A128-R130 PolarHBondContact O-N 2.92Å; A128-R130 VanDerWaalsContact O-N 3.15Å |
| 129 | S | 77.7 | Confident | 86.9 | Confident | 81 Ų | 81 | 49.1 Ų | 49.1 | 57% | 0.566 | 26% | 0.26 | S | S | * | . | trans | 48.4 | 40.9 | 178 | -54.3 | 0 | 0 | 0 | 0 | 114.1 | I122 D126 | I122-S129 WeakPolarHBondContact CG2-O 3.47Å; D126-S129 WeakPolarHBondContact O-CA 3.31Å; D126-S129 PolarHBondContact O-N 3.24Å | ||
| 130 | R | 80.8 | Confident | 86.8 | Confident | 168 Ų | 168 | 49.1 Ų | 49.1 | 63% | 0.634 | 26% | 0.26 | S | S | * | . | trans | -81.2 | 159.3 | -179 | -56 | 175.6 | 171.2 | 174.7 | -1.6 | 110.7 | I122 S123 D126 A128 H132 | I122-R130 WeakPolarHBondContact CA-O 3.35Å; S123-R130 PolarHBondContact N-O 2.81Å; D126-R130 VanDerWaalsContact OD2-CB 3.26Å; D126-R130 WeakPolarHBondContact OD2-CB 3.25Å; D126-R130 WeakPolarHBondContact OD2-CD 3.49Å; D126-R130 WeakPolarHBondContact OD2-CG 3.09Å; A128-R130 HydrophobicContact CB-CG 3.98Å; A128-R130 PolarHBondContact O-N 2.92Å; A128-R130 VanDerWaalsContact O-N 3.15Å; R130-H132 PolarHBondContact O-CD2 3.08Å; R130-H132 PolarHBondContact O-N 3.19Å | ||
| 131 | R | 85.7 | Confident | 86.6 | Confident | 147 Ų | 147 | 50.6 Ų | 50.6 | 56% | 0.555 | 27% | 0.268 | S | S | * | . | B | Isolated β-bridge | trans | -78.3 | 113.5 | 170.6 | -171.9 | -166.5 | 68 | -172.9 | -5.1 | 110 | V120 R121 H247 | V120-R131 HydrophobicContact CG1-CG 3.93Å; R121-R131 CarbonylContact O-C 3.52Å; R121-R131 VanDerWaalsContact O-CA 3.25Å; R121-R131 WeakPolarHBondContact O-CA 3.45Å; R121-R131 WeakPolarHBondContact O-CG 3.38Å; R131-H247 WeakPolarHBondContact CD-O 3.38Å |
| 132 | H | 85.1 | Confident | 86.4 | Confident | 68 Ų | 68 | 49.4 Ų | 49.4 | 32% | 0.315 | 26% | 0.264 | S | S | . | . | trans | -92.3 | 176.3 | 176.5 | -79.7 | -125.2 | 0 | 0 | 0 | 111.1 | E58 R121 D126 R130 | E58-H132 HydrophobicContact CG-CB 3.98Å; R121-H132 PolarHBondContact O-N 3.22Å; D126-H132 WeakPolarHBondContact CB-NE2 3.45Å; D126-H132 IonicContact OD2-CD2 3.21Å; D126-H132 IonicContact OD2-CE1 3.55Å; D126-H132 IonicContact OD2-NE2 3.96Å; D126-H132 PolarHBondContact OD2-NE2 2.87Å; R130-H132 PolarHBondContact O-CD2 3.08Å; R130-H132 PolarHBondContact O-N 3.19Å | ||
| 133 | T | 88.1 | Confident | 86.3 | Confident | 33 Ų | 33 | 49.3 Ų | 49.3 | 20% | 0.202 | 26% | 0.262 | C | S | . | . | trans | -145.2 | 116.3 | 168.4 | -68.9 | 0 | 0 | 0 | 0 | 107.8 | R118 L119 V120 F135 W237 | R118-T133 HydrophobicContact CG-CG2 3.85Å; L119-T133 VanDerWaalsContact O-CA 3.3Å; L119-T133 WeakPolarHBondContact O-CA 3.41Å; V120-T133 HydrophobicContact CG2-CG2 4.2Å; T133-F135 HydrophobicContact CG2-CE2 3.73Å; T133-F135 HydrophobicContact CG2-CZ 3.84Å; T133-W237 HydrophobicContact CG2-CH2 4.11Å; T133-W237 HydrophobicContact CG2-CZ2 3.67Å | ||
| 134 | S | 90.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 159.5 | -178.8 | 53.3 | 0 | 0 | 0 | 0 | 111.3 | E58 S59 R118 L119 | E58-S134 WeakPolarHBondContact O-CB 3.48Å; E58-S134 PolarHBondContact O-OG 3.42Å; S59-S134 WeakPolarHBondContact OG-CB 3.37Å; R118-S134 WeakPolarHBondContact CA-O 3.47Å; L119-S134 PolarHBondContact N-O 2.82Å; L119-S134 PolarHBondContact O-N 3.41Å |
| 135 | F | 94.3 | Very high | 85.1 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.9 | -174.3 | -61.5 | -96.6 | 0 | 0 | 0 | 110.2 | G53 A54 S59 V116 R118 T133 I235 G236 W237 Q240 | G53-F135 WeakPolarHBondContact CA-O 3.19Å; G53-F135 PolarHBondContact N-O 3.15Å; A54-F135 HydrophobicContact CB-CD2 4.26Å; A54-F135 PolarHBondContact O-N 3.02Å; S59-F135 PolarHBondContact OG-N 2.8Å; S59-F135 PolarHBondContact OG-O 3.44Å; V116-F135 HydrophobicContact CG1-CB 4.02Å; V116-F135 HydrophobicContact CG1-CD1 3.81Å; V116-F135 HydrophobicContact CG1-CG 4.39Å; R118-F135 HydrophobicContact CB-CD1 3.86Å; R118-F135 HydrophobicContact CB-CE1 3.84Å; R118-F135 HydrophobicContact CG-CD1 3.99Å; R118-F135 HydrophobicContact CG-CE1 3.62Å; R118-F135 HydrophobicContact CG-CZ 4.01Å; T133-F135 HydrophobicContact CG2-CE2 3.73Å; T133-F135 HydrophobicContact CG2-CZ 3.84Å; F135-I235 HydrophobicContact CB-CG2 4.2Å; F135-G236 WeakPolarHBondContact CD1-O 3.36Å; F135-G236 VanDerWaalsContact CE1-C 3.46Å; F135-G236 VanDerWaalsContact CE1-O 3.28Å; F135-G236 WeakPolarHBondContact CE1-O 3.42Å; F135-W237 AromaticContact CE2-CD1 3.67Å; F135-W237 HydrophobicContact CE2-CD2 4.33Å; F135-W237 HydrophobicContact CE2-CG 4.13Å; F135-W237 AromaticContact CE2-NE1 3.59Å; F135-W237 HydrophobicContact CZ-CB 4.33Å; F135-W237 AromaticContact CZ-CD1 3.71Å; F135-W237 AromaticContact CZ-CD2 3.76Å; F135-W237 HydrophobicContact CZ-CD2 3.76Å; F135-W237 AromaticContact CZ-CE2 3.86Å; F135-W237 HydrophobicContact CZ-CE3 4.43Å; F135-W237 AromaticContact CZ-CG 3.68Å; F135-W237 HydrophobicContact CZ-CG 3.68Å; F135-W237 AromaticContact CZ-NE1 3.8Å; F135-Q240 HydrophobicContact CE1-CB 4.36Å |
| 136 | C | 93.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 136.8 | 169.8 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | H51 L66 H117 | H51-C136 VanDerWaalsContact C-SG 3.56Å; L66-C136 HydrophobicContact CD1-CB 3.67Å; H117-C136 PolarHBondContact N-O 3.39Å; H117-C136 PolarHBondContact O-N 3.23Å |
| 137 | S | 92.9 | Very high | 82.8 | Confident | 13 Ų | 13 | 61.8 Ų | 61.8 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 139.2 | 169.9 | -164.6 | 0 | 0 | 0 | 0 | 109.5 | L50 H51 | L50-S137 WeakPolarHBondContact CA-O 3.3Å; H51-S137 PolarHBondContact N-O 3.29Å; H51-S137 PolarHBondContact O-N 3.45Å |
| 138 | V | 93.6 | Very high | 81.8 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 104.7 | 169.5 | -175.1 | 0 | 0 | 0 | 0 | 105.9 | V48 L50 L66 Y70 E113 K114 G115 H117 V140 | V48-V138 HydrophobicContact CG1-CG1 4.1Å; L50-V138 HydrophobicContact CD2-CB 4.2Å; L50-V138 HydrophobicContact CD2-CG1 3.91Å; L50-V138 HydrophobicContact CD2-CG2 3.86Å; L66-V138 HydrophobicContact CD1-CG2 4.32Å; Y70-V138 HydrophobicContact CE2-CG1 4.08Å; Y70-V138 HydrophobicContact CE2-CG2 3.98Å; E113-V138 HydrophobicContact CB-CG1 4.31Å; E113-V138 WeakPolarHBondContact O-CB 3.15Å; K114-V138 WeakPolarHBondContact CA-O 3.48Å; G115-V138 PolarHBondContact N-O 3.2Å; G115-V138 PolarHBondContact O-N 3.02Å; H117-V138 HydrophobicContact CB-CG2 4.38Å; V138-V140 HydrophobicContact CG1-CG2 3.98Å |
| 139 | E | 88.9 | Confident | 80.8 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 138 | 167.3 | -59.9 | -153.2 | 166.3 | 0 | 0 | 109.5 | V48 E49 R229 Q232 | V48-E139 CarbonylContact C-O 3.56Å; V48-E139 WeakPolarHBondContact CA-O 3.22Å; E49-E139 HydrophobicContact CB-CB 4.24Å; E49-E139 PolarHBondContact N-O 3.43Å; E49-E139 PolarHBondContact O-N 2.8Å; E139-R229 IonicContact OE2-CZ 3.63Å; E139-R229 IonicContact OE2-NE 3.32Å; E139-R229 PolarHBondContact OE2-NE 2.82Å; E139-R229 IonicContact OE2-NH2 3.72Å; E139-R229 PolarHBondContact OE2-NH2 2.9Å; E139-Q232 WeakPolarHBondContact OE1-CG 3.3Å; E139-Q232 PolarHBondContact OE1-NE2 3.23Å |
| 140 | V | 91.9 | Very high | 80.1 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 126.6 | 176.1 | -171.6 | 0 | 0 | 0 | 0 | 108.3 | A46 I47 V48 Y107 L110 K114 V138 | A46-V140 HydrophobicContact CB-CG1 4.49Å; I47-V140 WeakPolarHBondContact O-CA 3.41Å; V48-V140 HydrophobicContact CG2-CG1 4.24Å; V48-V140 HydrophobicContact CG2-CG2 4.23Å; Y107-V140 HydrophobicContact CD2-CG1 3.79Å; Y107-V140 HydrophobicContact CE2-CG1 3.94Å; L110-V140 HydrophobicContact CB-CG1 3.88Å; L110-V140 WeakPolarHBondContact O-CG2 3.14Å; K114-V140 HydrophobicContact CB-CB 4.28Å; K114-V140 HydrophobicContact CB-CG2 4.27Å; V138-V140 HydrophobicContact CG1-CG2 3.98Å |
| 141 | M | 87.2 | Confident | 79.3 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 151.5 | 176.6 | -61.5 | -163.1 | -61.4 | 0 | 0 | 109.6 | I47 Y107 R229 | I47-M141 PolarHBondContact N-O 3.23Å; I47-M141 PolarHBondContact O-N 2.91Å; Y107-M141 WeakPolarHBondContact CD2-O 3.26Å; Y107-M141 VanDerWaalsContact CE2-C 3.46Å; M141-R229 HydrophobicContact SD-CB 4.39Å; M141-R229 HydrophobicContact SD-CG 4.14Å |
| 142 | P | 88.1 | Confident | 78.8 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 151.6 | 170.5 | 32.3 | -32.3 | 0 | 0 | 0 | 110.1 | Y41 N44 Y107 L144 L228 | Y41-P142 HydrophobicContact CD1-CB 4.31Å; Y41-P142 HydrophobicContact CD1-CG 4.01Å; Y41-P142 HydrophobicContact CG-CB 4.23Å; Y41-P142 HydrophobicContact CG-CG 3.93Å; N44-P142 HydrophobicContact CB-CB 4.2Å; Y107-P142 HydrophobicContact CD1-CB 3.92Å; Y107-P142 HydrophobicContact CD2-CB 3.97Å; Y107-P142 VanDerWaalsContact CD2-N 3.31Å; Y107-P142 HydrophobicContact CE1-CB 4.23Å; Y107-P142 HydrophobicContact CE1-CG 4.37Å; Y107-P142 HydrophobicContact CE2-CB 4.29Å; Y107-P142 HydrophobicContact CE2-CG 4.35Å; Y107-P142 HydrophobicContact CG-CB 3.78Å; P142-L144 HydrophobicContact CG-CD2 3.92Å; P142-L144 HydrophobicContact CG-CG 4.37Å; P142-L144 PolarHBondContact O-N 2.81Å; P142-L228 HydrophobicContact CG-CD1 4.18Å |
| 143 | E | 83.2 | Confident | 78.2 | Confident | 71 Ų | 71 | 55.2 Ų | 55.2 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | trans | -61.3 | 122 | 160.6 | -173.8 | 178.2 | -128.2 | 0 | 0 | 108.6 | N44 N45 M100 | N44-E143 PolarHBondContact ND2-O 3.48Å; N45-E143 HydrophobicContact CB-CB 3.98Å; N45-E143 PolarHBondContact ND2-OE2 2.89Å; N45-E143 PolarHBondContact O-N 2.84Å; M100-E143 HydrophobicContact CE-CB 4.1Å; M100-E143 HydrophobicContact CE-CG 3.87Å; M100-E143 VanDerWaalsContact CE-OE1 3.32Å; M100-E143 WeakPolarHBondContact CE-OE1 3.4Å; M100-E143 HydrophobicContact SD-CB 4.39Å | ||
| 144 | L | 76.9 | Confident | 77.3 | Confident | 69 Ų | 69 | 58.2 Ų | 58.2 | 36% | 0.361 | 30% | 0.298 | S | S | . | . | trans | -105.8 | 136.3 | -179.6 | -66.3 | 178 | 0 | 0 | 0 | 109.7 | Y41 P142 E146 A225 L228 | Y41-L144 HydrophobicContact CD1-CD2 3.77Å; Y41-L144 HydrophobicContact CE1-CD2 3.46Å; Y41-L144 VanDerWaalsContact CE1-CD2 3.46Å; P142-L144 HydrophobicContact CG-CD2 3.92Å; P142-L144 HydrophobicContact CG-CG 4.37Å; P142-L144 PolarHBondContact O-N 2.81Å; L144-E146 PolarHBondContact O-N 2.99Å; L144-A225 HydrophobicContact CD1-CB 4.19Å; L144-L228 HydrophobicContact CD1-CD1 4.37Å; L144-L228 HydrophobicContact CD2-CD1 4.18Å | ||
| 145 | D | 67.9 | Low | 76.5 | Confident | 112 Ų | 112 | 64.9 Ų | 64.9 | 60% | 0.599 | 33% | 0.334 | S | S | * | . | trans | -67.9 | 114 | 173.8 | -179.4 | 6.2 | 0 | 0 | 0 | 109.8 | N147 K221 | D145-N147 VanDerWaalsContact C-N 3.28Å; D145-N147 PolarHBondContact O-N 2.85Å; D145-N147 WeakPolarHBondContact OD1-CB 3.39Å; D145-N147 PolarHBondContact OD1-N 3.44Å; D145-N147 PolarHBondContact OD1-ND2 3.47Å; D145-K221 PolarHBondContact O-NZ 2.86Å | ||
| 146 | E | 59.7 | Low | 75.6 | Confident | 176 Ų | 176 | 67.5 Ų | 67.5 | 82% | 0.822 | 35% | 0.348 | S | S | * | . | trans | -69.7 | -22.9 | 179.6 | -65.9 | -165.5 | 154.8 | 0 | 0 | 112.8 | L144 I148 K221 | L144-E146 PolarHBondContact O-N 2.99Å; E146-I148 WeakPolarHBondContact O-CG1 3.44Å; E146-I148 PolarHBondContact O-N 2.84Å; E146-K221 PolarHBondContact O-NZ 3.18Å | ||
| 147 | N | 57.7 | Low | 75.2 | Confident | 122 Ų | 122 | 68.5 Ų | 68.5 | 65% | 0.652 | 35% | 0.353 | S | S | * | . | trans | -60.1 | 131.5 | -173.7 | -66.9 | -79.4 | 0 | 0 | 0 | 112.6 | D145 K221 | D145-N147 VanDerWaalsContact C-N 3.28Å; D145-N147 PolarHBondContact O-N 2.85Å; D145-N147 WeakPolarHBondContact OD1-CB 3.39Å; D145-N147 PolarHBondContact OD1-N 3.44Å; D145-N147 PolarHBondContact OD1-ND2 3.47Å; N147-K221 PolarHBondContact O-NZ 2.96Å | ||
| 148 | I | 56.2 | Low | 74.8 | Confident | 38 Ų | 38 | 72.6 Ų | 72.6 | 20% | 0.195 | 37% | 0.369 | C | S | . | . | trans | -122.9 | 89.3 | 178 | -55.7 | 178.1 | 0 | 0 | 0 | 109.2 | E146 V150 Y214 E217 I218 K221 | E146-I148 WeakPolarHBondContact O-CG1 3.44Å; E146-I148 PolarHBondContact O-N 2.84Å; I148-V150 HydrophobicContact CG2-CG2 4.07Å; I148-Y214 HydrophobicContact CB-CD2 4.22Å; I148-Y214 HydrophobicContact CB-CE2 3.75Å; I148-Y214 HydrophobicContact CD1-CE2 4.46Å; I148-Y214 HydrophobicContact CG2-CD2 3.73Å; I148-Y214 HydrophobicContact CG2-CE2 3.81Å; I148-E217 HydrophobicContact CG2-CB 4.11Å; I148-E217 HydrophobicContact CG2-CG 4.04Å; I148-I218 HydrophobicContact CD1-CD1 4.41Å; I148-I218 HydrophobicContact CD1-CG1 3.47Å; I148-I218 VanDerWaalsContact CD1-CG1 3.47Å; I148-K221 HydrophobicContact CD1-CD 4.07Å; I148-K221 HydrophobicContact CG1-CD 4.02Å | ||
| 149 | E | 56.2 | Low | 74.3 | Confident | 169 Ų | 169 | 74.6 Ų | 74.6 | 79% | 0.79 | 38% | 0.381 | S | S | * | . | trans | -87.9 | 105.6 | 170.5 | -70 | -164.3 | 132.6 | 0 | 0 | 111.3 | E151 | E149-E151 PolarHBondContact O-N 3.07Š| ||
| 150 | V | 63.5 | Low | 74 | Confident | 32 Ų | 32 | 76.6 Ų | 76.6 | 19% | 0.194 | 39% | 0.392 | C | S | . | . | trans | -86.1 | 84.6 | 172.8 | -175.6 | 0 | 0 | 0 | 0 | 110 | I148 I152 L213 Y214 | I148-V150 HydrophobicContact CG2-CG2 4.07Å; V150-I152 HydrophobicContact CG1-CD1 4.44Å; V150-I152 HydrophobicContact CG1-CG1 4Å; V150-L213 HydrophobicContact CG1-CB 3.74Å; V150-L213 HydrophobicContact CG1-CD1 4.39Å; V150-Y214 HydrophobicContact CG2-CD2 3.97Å; V150-Y214 HydrophobicContact CG2-CG 4.49Å | ||
| 151 | E | 64.7 | Low | 73.4 | Confident | 169 Ų | 169 | 79.5 Ų | 79.5 | 79% | 0.79 | 41% | 0.41 | S | S | * | . | trans | -72.8 | 119.1 | 167.6 | -172.3 | 173.2 | -154.1 | 0 | 0 | 109.4 | E149 | E149-E151 PolarHBondContact O-N 3.07Š| ||
| 152 | I | 73.6 | Confident | 72.6 | Confident | 28 Ų | 28 | 80.9 Ų | 80.9 | 14% | 0.144 | 41% | 0.413 | C | S | . | . | trans | -109.4 | 109.5 | 175.9 | -55 | -177.7 | 0 | 0 | 0 | 108.4 | V150 L157 L209 K210 L213 | V150-I152 HydrophobicContact CG1-CD1 4.44Å; V150-I152 HydrophobicContact CG1-CG1 4Å; I152-L157 HydrophobicContact CG2-CD1 3.83Å; I152-L157 HydrophobicContact CG2-CD2 3.81Å; I152-L157 HydrophobicContact CG2-CG 4.04Å; I152-L209 HydrophobicContact CD1-CD2 4.19Å; I152-L209 HydrophobicContact CD1-CG 4.19Å; I152-K210 HydrophobicContact CD1-CB 4.45Å; I152-K210 HydrophobicContact CD1-CG 3.47Å; I152-K210 VanDerWaalsContact CD1-CG 3.47Å; I152-K210 HydrophobicContact CG1-CG 4.39Å; I152-L213 HydrophobicContact CD1-CD1 3.76Å; I152-L213 HydrophobicContact CG1-CD1 4Å | ||
| 153 | N | 72.6 | Confident | 71.7 | Confident | 70 Ų | 70 | 88.9 Ų | 88.9 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | trans | -65.7 | 126.4 | 170.2 | 177 | 21.1 | 0 | 0 | 0 | 110.3 | D155 D156 | N153-D155 PolarHBondContact O-N 3.49Å; N153-D155 PolarHBondContact OD1-N 2.96Å; N153-D156 HydrophobicContact CB-CB 4.48Å; N153-D156 WeakPolarHBondContact CB-OD2 3.37Å; N153-D156 PolarHBondContact ND2-OD2 3.44Å; N153-D156 PolarHBondContact O-N 3.25Å | ||
| 154 | P | 69.5 | Low | 70.4 | Confident | 95 Ų | 95 | 87.4 Ų | 87.4 | 62% | 0.617 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -58.6 | -30.3 | 177.6 | -27 | 36.3 | 0 | 0 | 0 | 114.8 | D156 L157 | P154-D156 VanDerWaalsContact C-N 3.3Å; P154-D156 PolarHBondContact O-N 2.84Å; P154-L157 WeakPolarHBondContact O-CB 3.33Å; P154-L157 PolarHBondContact O-N 2.72Å |
| 155 | D | 74.9 | Confident | 69.1 | Low | 141 Ų | 141 | 88.7 Ų | 88.7 | 75% | 0.754 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -73.5 | -22 | -176.2 | -64 | -23.9 | 0 | 0 | 0 | 112.9 | N153 L157 | N153-D155 PolarHBondContact O-N 3.49Å; N153-D155 PolarHBondContact OD1-N 2.96Å; D155-L157 PolarHBondContact O-N 3Å |
| 156 | D | 75.7 | Confident | 68.1 | Low | 56 Ų | 56 | 86.2 Ų | 86.2 | 30% | 0.299 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -80.1 | 6.8 | 176.5 | -74.2 | -63.5 | 0 | 0 | 0 | 113.2 | N153 P154 L184 P185 | N153-D156 HydrophobicContact CB-CB 4.48Å; N153-D156 WeakPolarHBondContact CB-OD2 3.37Å; N153-D156 PolarHBondContact ND2-OD2 3.44Å; N153-D156 PolarHBondContact O-N 3.25Å; P154-D156 VanDerWaalsContact C-N 3.3Å; P154-D156 PolarHBondContact O-N 2.84Å; D156-L184 WeakPolarHBondContact O-CG 3.25Å; D156-L184 PolarHBondContact O-N 3.34Å; D156-P185 HydrophobicContact CB-CG 4.02Å |
| 157 | L | 84 | Confident | 67.1 | Low | 21 Ų | 21 | 83.3 Ų | 83.3 | 11% | 0.11 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 109.3 | -173.4 | -57.4 | -176.9 | 0 | 0 | 0 | 113.5 | I152 P154 D155 V159 I181 H183 M206 L209 | I152-L157 HydrophobicContact CG2-CD1 3.83Å; I152-L157 HydrophobicContact CG2-CD2 3.81Å; I152-L157 HydrophobicContact CG2-CG 4.04Å; P154-L157 WeakPolarHBondContact O-CB 3.33Å; P154-L157 PolarHBondContact O-N 2.72Å; D155-L157 PolarHBondContact O-N 3Å; L157-V159 HydrophobicContact CB-CG2 4.37Å; L157-V159 PolarHBondContact O-N 2.65Å; L157-I181 HydrophobicContact CB-CG2 4.2Å; L157-I181 HydrophobicContact CD1-CG2 4.41Å; L157-I181 HydrophobicContact CD2-CG2 4.01Å; L157-I181 HydrophobicContact CG-CG2 4.46Å; L157-H183 HydrophobicContact CD2-CB 4.16Å; L157-M206 HydrophobicContact CD1-CE 3.61Å; L157-M206 HydrophobicContact CD1-SD 3.84Å; L157-L209 HydrophobicContact CD2-CD2 3.48Å; L157-L209 VanDerWaalsContact CD2-CD2 3.48Å |
| 158 | K | 85.4 | Confident | 66.1 | Low | 99 Ų | 99 | 80.4 Ų | 80.4 | 43% | 0.43 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 112 | 165.8 | -173.5 | 175 | -174.4 | -65.7 | 0 | 109.9 | D160 I181 T182 L184 | K158-D160 IonicContact NZ-OD1 3.16Å; K158-D160 PolarHBondContact NZ-OD1 2.9Å; K158-D160 IonicContact NZ-OD2 3.73Å; K158-D160 PolarHBondContact NZ-OD2 2.86Å; K158-I181 WeakPolarHBondContact O-CA 3.37Å; K158-T182 PolarHBondContact N-O 2.88Å; K158-T182 PolarHBondContact O-N 2.79Å; K158-L184 HydrophobicContact CB-CD2 4.05Å; K158-L184 HydrophobicContact CB-CG 4.42Å |
| 159 | V | 83.6 | Confident | 65.1 | Low | 42 Ų | 42 | 81.3 Ų | 81.3 | 26% | 0.255 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 103.6 | -178.9 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | L157 V179 R180 I181 | L157-V159 HydrophobicContact CB-CG2 4.37Å; L157-V159 PolarHBondContact O-N 2.65Å; V159-V179 HydrophobicContact CG1-CG1 3.7Å; V159-R180 CarbonylContact C-O 3.48Å; V159-R180 WeakPolarHBondContact CA-O 3.38Å; V159-I181 HydrophobicContact CG1-CG1 4.45Å; V159-I181 HydrophobicContact CG2-CG1 4.3Å; V159-I181 HydrophobicContact CG2-CG2 4.39Å |
| 160 | D | 82.4 | Confident | 64.2 | Low | 57 Ų | 57 | 81.8 Ų | 81.8 | 31% | 0.305 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 135.5 | 177.4 | -66.3 | -44 | 0 | 0 | 0 | 110.9 | K158 R180 | K158-D160 IonicContact NZ-OD1 3.16Å; K158-D160 PolarHBondContact NZ-OD1 2.9Å; K158-D160 IonicContact NZ-OD2 3.73Å; K158-D160 PolarHBondContact NZ-OD2 2.86Å; D160-R180 HydrophobicContact CB-CB 4.35Å; D160-R180 PolarHBondContact N-O 2.83Å; D160-R180 PolarHBondContact O-N 3.17Å |
| 161 | V | 77.7 | Confident | 62.9 | Low | 62 Ų | 62 | 88.9 Ų | 88.9 | 38% | 0.376 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.9 | -176.2 | -173 | 0 | 0 | 0 | 0 | 110 | S176 A178 Q198 | V161-S176 VanDerWaalsContact CG1-O 3.3Å; V161-S176 WeakPolarHBondContact CG1-O 3.21Å; V161-A178 WeakPolarHBondContact CA-O 3.22Å; V161-Q198 HydrophobicContact CG1-CG 4.05Å |
| 162 | Y | 71.9 | Confident | 61.4 | Low | 65 Ų | 65 | 88 Ų | 88 | 26% | 0.255 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 173.2 | -172.2 | 62.6 | -76.3 | 0 | 0 | 0 | 112.4 | S176 S177 A178 R180 | Y162-S176 CarbonylContact O-C 3.57Å; Y162-S176 VanDerWaalsContact O-C 3.28Å; Y162-S176 WeakPolarHBondContact O-CA 3.28Å; Y162-S177 PolarHBondContact O-N 3.22Å; Y162-A178 HydrophobicContact CD1-CB 4.04Å; Y162-A178 HydrophobicContact CD2-CB 3.73Å; Y162-A178 HydrophobicContact CE1-CB 3.83Å; Y162-A178 HydrophobicContact CE2-CB 3.51Å; Y162-A178 HydrophobicContact CG-CB 3.98Å; Y162-A178 PolarHBondContact N-O 2.84Å; Y162-A178 WeakPolarHBondContact O-CB 3.38Å; Y162-A178 PolarHBondContact O-N 3.23Å; Y162-R180 HydrophobicContact CE1-CB 3.85Å |
| 163 | R | 69.5 | Low | 59.8 | Low | 172 Ų | 172 | 94.4 Ų | 94.4 | 65% | 0.649 | 55% | 0.549 | S | S | * | . | trans | -80.9 | 127.3 | 178 | -67.3 | 175.4 | 176.3 | 153.2 | 2.4 | 109.6 | S165 K174 | R163-S165 PolarHBondContact O-N 2.84Å; R163-K174 PolarHBondContact NE-O 3.03Å | ||
| 164 | A | 56 | Low | 58.5 | Low | 41 Ų | 41 | 96.5 Ų | 96.5 | 34% | 0.339 | 56% | 0.555 | S | S | . | * | trans | -60.9 | 128.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G166 A178 Q193 | A164-G166 VanDerWaalsContact C-N 3.32Å; A164-G166 PolarHBondContact O-N 3.2Å; A164-A178 HydrophobicContact CB-CB 4.13Å; A164-Q193 HydrophobicContact CB-CB 4.07Å | ||
| 165 | S | 48.9 | Very low | 57.7 | Low | 96 Ų | 96 | 97.4 Ų | 97.4 | 67% | 0.671 | 56% | 0.559 | S | S | * | * | trans | -86.4 | 65.6 | -170.9 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | R163 Q193 | R163-S165 PolarHBondContact O-N 2.84Å; S165-Q193 PolarHBondContact OG-OE1 3.33Å | ||
| 166 | G | 47.6 | Very low | 57.2 | Low | 60 Ų | 60 | 93.2 Ų | 93.2 | 62% | 0.619 | 54% | 0.541 | S | S | * | . | trans | -82.6 | 136.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A164 | A164-G166 VanDerWaalsContact C-N 3.32Å; A164-G166 PolarHBondContact O-N 3.2Å | ||
| 167 | A | 38.1 | Very low | 57 | Low | 114 Ų | 114 | 91.4 Ų | 91.4 | 94% | 0.942 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -75.3 | 132.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 168 | G | 35.3 | Very low | 56.8 | Low | 61 Ų | 61 | 90.4 Ų | 90.4 | 63% | 0.629 | 53% | 0.527 | S | S | * | . | trans | 106 | 168.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K174 | G168-K174 PolarHBondContact O-NZ 2.84Š| ||
| 169 | G | 36.5 | Very low | 56.6 | Low | 58 Ų | 58 | 85.7 Ų | 85.7 | 60% | 0.598 | 51% | 0.507 | S | S | * | . | trans | 75.2 | 97.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | K174 | G169-K174 PolarHBondContact O-NZ 2.87Š| ||
| 170 | Q | 37.8 | Very low | 56.8 | Low | 179 Ų | 179 | 88.9 Ų | 88.9 | 84% | 0.836 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -74.6 | 156.3 | 152.1 | -64.1 | 176.1 | -8.8 | 0 | 0 | 109 | ||
| 171 | H | 34.7 | Very low | 57.2 | Low | 181 Ų | 181 | 86.1 Ų | 86.1 | 84% | 0.838 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 52.4 | 79.4 | 177.2 | -69.3 | -92.4 | 0 | 0 | 0 | 117.3 | ||
| 172 | I | 34.1 | Very low | 57.7 | Low | 150 Ų | 150 | 84.4 Ų | 84.4 | 77% | 0.769 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -162.7 | 150.5 | 149.3 | -104.5 | 150 | 0 | 0 | 0 | 108.6 | K174 | I172-K174 WeakPolarHBondContact O-CG 3.31Å; I172-K174 PolarHBondContact O-N 3.4Å; I172-K174 VanDerWaalsContact O-N 3.1Å |
| 173 | N | 39.4 | Very low | 58.6 | Low | 162 Ų | 162 | 82.4 Ų | 82.4 | 87% | 0.866 | 48% | 0.482 | S | S | * | . | trans | -61.9 | 108.7 | -179.9 | -95.2 | -25.8 | 0 | 0 | 0 | 111.8 | T175 | N173-T175 PolarHBondContact O-N 2.94Š| ||
| 174 | K | 45.2 | Very low | 59 | Low | 114 Ų | 114 | 79 Ų | 79 | 50% | 0.496 | 48% | 0.476 | S | S | . | . | trans | -89.7 | 93.2 | -178.5 | -54.9 | -160.7 | -178.5 | -169 | 0 | 111.2 | R163 G168 G169 I172 | R163-K174 PolarHBondContact NE-O 3.03Å; G168-K174 PolarHBondContact O-NZ 2.84Å; G169-K174 PolarHBondContact O-NZ 2.87Å; I172-K174 WeakPolarHBondContact O-CG 3.31Å; I172-K174 PolarHBondContact O-N 3.4Å; I172-K174 VanDerWaalsContact O-N 3.1Å | ||
| 175 | T | 52.7 | Low | 59.8 | Low | 115 Ų | 115 | 81.1 Ų | 81.1 | 71% | 0.706 | 49% | 0.486 | S | S | * | . | trans | -63.6 | 147.3 | 170.2 | 39.6 | 0 | 0 | 0 | 0 | 111.8 | N173 S177 | N173-T175 PolarHBondContact O-N 2.94Å; T175-S177 PolarHBondContact O-N 3.23Å; T175-S177 VanDerWaalsContact O-N 3.09Å | ||
| 176 | S | 64.4 | Low | 61.2 | Low | 52 Ų | 52 | 80 Ų | 80 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | trans | -83.3 | 80 | -179.4 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | V161 Y162 | V161-S176 VanDerWaalsContact CG1-O 3.3Å; V161-S176 WeakPolarHBondContact CG1-O 3.21Å; Y162-S176 CarbonylContact O-C 3.57Å; Y162-S176 VanDerWaalsContact O-C 3.28Å; Y162-S176 WeakPolarHBondContact O-CA 3.28Å | ||
| 177 | S | 71.9 | Confident | 62.6 | Low | 19 Ų | 19 | 79.4 Ų | 79.4 | 13% | 0.133 | 47% | 0.47 | C | S | . | . | trans | -84.1 | -22 | -177.9 | 59.2 | 0 | 0 | 0 | 0 | 114.9 | Y162 T175 Q198 N201 | Y162-S177 PolarHBondContact O-N 3.22Å; T175-S177 PolarHBondContact O-N 3.23Å; T175-S177 VanDerWaalsContact O-N 3.09Å; S177-Q198 WeakPolarHBondContact O-CA 3.26Å; S177-N201 WeakPolarHBondContact O-CB 3.3Å; S177-N201 PolarHBondContact O-ND2 3.38Å | ||
| 178 | A | 78.9 | Confident | 64.8 | Low | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 142.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V161 Y162 A164 Q193 | V161-A178 WeakPolarHBondContact CA-O 3.22Å; Y162-A178 HydrophobicContact CD1-CB 4.04Å; Y162-A178 HydrophobicContact CD2-CB 3.73Å; Y162-A178 HydrophobicContact CE1-CB 3.83Å; Y162-A178 HydrophobicContact CE2-CB 3.51Å; Y162-A178 HydrophobicContact CG-CB 3.98Å; Y162-A178 PolarHBondContact N-O 2.84Å; Y162-A178 WeakPolarHBondContact O-CB 3.38Å; Y162-A178 PolarHBondContact O-N 3.23Å; A164-A178 HydrophobicContact CB-CB 4.13Å; A178-Q193 HydrophobicContact CB-CB 3.59Å |
| 179 | V | 82.6 | Confident | 67.2 | Low | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 136.3 | -175.9 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | V159 I181 A191 S192 Q198 N201 R202 | V159-V179 HydrophobicContact CG1-CG1 3.7Å; V179-I181 HydrophobicContact CG1-CG1 4.23Å; V179-A191 CarbonylContact O-C 3.5Å; V179-A191 VanDerWaalsContact O-CA 3.26Å; V179-A191 WeakPolarHBondContact O-CA 3.37Å; V179-S192 PolarHBondContact N-O 2.87Å; V179-S192 PolarHBondContact O-N 3.42Å; V179-Q198 HydrophobicContact CG2-CG 3.78Å; V179-Q198 WeakPolarHBondContact CG2-O 3.19Å; V179-N201 HydrophobicContact CB-CB 4.26Å; V179-N201 HydrophobicContact CG2-CB 4.03Å; V179-R202 HydrophobicContact CB-CB 4.43Å; V179-R202 HydrophobicContact CG1-CB 4.01Å; V179-R202 HydrophobicContact CG1-CG 4.29Å; V179-R202 HydrophobicContact CG2-CB 4.22Å |
| 180 | R | 87.8 | Confident | 69.7 | Low | 108 Ų | 108 | 72.7 Ų | 72.7 | 41% | 0.408 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.4 | 173.3 | 179.4 | -176.3 | -54 | 179.4 | 5.6 | 108.3 | V159 D160 Y162 V189 V190 A191 | V159-R180 CarbonylContact C-O 3.48Å; V159-R180 WeakPolarHBondContact CA-O 3.38Å; D160-R180 HydrophobicContact CB-CB 4.35Å; D160-R180 PolarHBondContact N-O 2.83Å; D160-R180 PolarHBondContact O-N 3.17Å; Y162-R180 HydrophobicContact CE1-CB 3.85Å; R180-V189 HydrophobicContact CG-CG1 3.74Å; R180-V190 CarbonylContact C-O 3.49Å; R180-V190 WeakPolarHBondContact CA-O 3.39Å; R180-A191 HydrophobicContact CB-CB 4.09Å; R180-A191 HydrophobicContact CG-CB 4.25Å |
| 181 | I | 90.8 | Very high | 71.9 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.8 | 175.7 | -52.5 | -177.4 | 0 | 0 | 0 | 107.5 | L157 K158 V159 V179 V190 R202 A205 M206 L209 | L157-I181 HydrophobicContact CB-CG2 4.2Å; L157-I181 HydrophobicContact CD1-CG2 4.41Å; L157-I181 HydrophobicContact CD2-CG2 4.01Å; L157-I181 HydrophobicContact CG-CG2 4.46Å; K158-I181 WeakPolarHBondContact O-CA 3.37Å; V159-I181 HydrophobicContact CG1-CG1 4.45Å; V159-I181 HydrophobicContact CG2-CG1 4.3Å; V159-I181 HydrophobicContact CG2-CG2 4.39Å; V179-I181 HydrophobicContact CG1-CG1 4.23Å; I181-V190 HydrophobicContact CB-CG2 4.18Å; I181-V190 PolarHBondContact N-O 2.9Å; I181-V190 PolarHBondContact O-N 3.29Å; I181-R202 HydrophobicContact CD1-CG 4.26Å; I181-A205 HydrophobicContact CD1-CB 3.78Å; I181-A205 HydrophobicContact CG1-CB 3.93Å; I181-M206 HydrophobicContact CD1-CB 4.36Å; I181-M206 HydrophobicContact CD1-CE 4.1Å; I181-M206 HydrophobicContact CD1-SD 4.41Å; I181-L209 HydrophobicContact CG2-CD2 3.9Å |
| 182 | T | 88.5 | Confident | 74.1 | Confident | 26 Ų | 26 | 57.8 Ų | 57.8 | 16% | 0.16 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.2 | 172 | -51.4 | 0 | 0 | 0 | 0 | 108.2 | K158 L184 V189 | K158-T182 PolarHBondContact N-O 2.88Å; K158-T182 PolarHBondContact O-N 2.79Å; T182-L184 PolarHBondContact O-N 3.49Å; T182-V189 HydrophobicContact CG2-CG2 3.93Å |
| 183 | H | 89 | Confident | 76.4 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 10% | 0.102 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 110.5 | 170.1 | -178.3 | -120.6 | 0 | 0 | 0 | 108.6 | L157 T186 G187 T188 L209 | L157-H183 HydrophobicContact CD2-CB 4.16Å; H183-T186 PolarHBondContact ND1-OG1 2.98Å; H183-T186 PolarHBondContact O-N 3.3Å; H183-G187 WeakPolarHBondContact O-CA 3.15Å; H183-G187 PolarHBondContact O-N 2.89Å; H183-T188 PolarHBondContact N-O 3.1Å; H183-T188 PolarHBondContact O-N 2.95Å; H183-L209 HydrophobicContact CB-CD1 3.84Å; H183-L209 HydrophobicContact CB-CD2 4.11Å |
| 184 | L | 79.1 | Confident | 78 | Confident | 101 Ų | 101 | 51.1 Ų | 51.1 | 53% | 0.529 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -40.4 | -170.3 | -63.4 | 171.4 | 0 | 0 | 0 | 113.3 | D156 K158 T182 T186 | D156-L184 WeakPolarHBondContact O-CG 3.25Å; D156-L184 PolarHBondContact O-N 3.34Å; K158-L184 HydrophobicContact CB-CD2 4.05Å; K158-L184 HydrophobicContact CB-CG 4.42Å; T182-L184 PolarHBondContact O-N 3.49Å; L184-T186 PolarHBondContact O-N 3.12Å |
| 185 | P | 72.6 | Confident | 79.3 | Confident | 85 Ų | 85 | 50 Ų | 50 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -34.2 | -179.7 | -25.7 | 35.7 | 0 | 0 | 0 | 115.1 | D156 | D156-P185 HydrophobicContact CB-CG 4.02Š|
| 186 | T | 78.6 | Confident | 80 | Confident | 72 Ų | 72 | 56.2 Ų | 56.2 | 44% | 0.442 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -9 | -177.1 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | H183 L184 T188 L213 | H183-T186 PolarHBondContact ND1-OG1 2.98Å; H183-T186 PolarHBondContact O-N 3.3Å; L184-T186 PolarHBondContact O-N 3.12Å; T186-T188 WeakPolarHBondContact CB-OG1 3.07Å; T186-T188 PolarHBondContact O-N 3.42Å; T186-T188 VanDerWaalsContact OG1-CB 3.31Å; T186-T188 WeakPolarHBondContact OG1-CB 3.12Å; T186-T188 PolarHBondContact OG1-N 3.2Å; T186-T188 PolarHBondContact OG1-OG1 3.25Å; T186-L213 HydrophobicContact CG2-CD2 3.98Å |
| 187 | G | 77.5 | Confident | 80.4 | Confident | 48 Ų | 48 | 56.1 Ų | 56.1 | 50% | 0.495 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 8.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | H183 V189 | H183-G187 WeakPolarHBondContact O-CA 3.15Å; H183-G187 PolarHBondContact O-N 2.89Å; G187-V189 PolarHBondContact O-N 2.9Å; G187-V189 VanDerWaalsContact O-N 3.11Å |
| 188 | T | 84.2 | Confident | 80.6 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 110.6 | -175.5 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | H183 T186 L209 K212 | H183-T188 PolarHBondContact N-O 3.1Å; H183-T188 PolarHBondContact O-N 2.95Å; T186-T188 WeakPolarHBondContact CB-OG1 3.07Å; T186-T188 PolarHBondContact O-N 3.42Å; T186-T188 VanDerWaalsContact OG1-CB 3.31Å; T186-T188 WeakPolarHBondContact OG1-CB 3.12Å; T186-T188 PolarHBondContact OG1-N 3.2Å; T186-T188 PolarHBondContact OG1-OG1 3.25Å; T188-L209 HydrophobicContact CG2-CD1 3.93Å; T188-K212 HydrophobicContact CG2-CB 3.88Å; T188-K212 HydrophobicContact CG2-CD 3.62Å; T188-K212 HydrophobicContact CG2-CG 4.43Å |
| 189 | V | 85.7 | Confident | 80.4 | Confident | 70 Ų | 70 | 67 Ų | 67 | 42% | 0.424 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 134.3 | 172.8 | -173 | 0 | 0 | 0 | 0 | 110.6 | R180 T182 G187 K212 | R180-V189 HydrophobicContact CG-CG1 3.74Å; T182-V189 HydrophobicContact CG2-CG2 3.93Å; G187-V189 PolarHBondContact O-N 2.9Å; G187-V189 VanDerWaalsContact O-N 3.11Å; V189-K212 PolarHBondContact O-NZ 3.01Å |
| 190 | V | 87.6 | Confident | 80.2 | Confident | 6 Ų | 6 | 71.5 Ų | 71.5 | 4% | 0.036 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 155 | 166.8 | -66.1 | 0 | 0 | 0 | 0 | 110.1 | R180 I181 A205 M208 L209 K212 | R180-V190 CarbonylContact C-O 3.49Å; R180-V190 WeakPolarHBondContact CA-O 3.39Å; I181-V190 HydrophobicContact CB-CG2 4.18Å; I181-V190 PolarHBondContact N-O 2.9Å; I181-V190 PolarHBondContact O-N 3.29Å; V190-A205 HydrophobicContact CG2-CB 4.43Å; V190-A205 VanDerWaalsContact CG2-O 3.24Å; V190-A205 WeakPolarHBondContact CG2-O 3.25Å; V190-M208 HydrophobicContact CB-CB 4.09Å; V190-M208 HydrophobicContact CG1-CB 4.07Å; V190-M208 HydrophobicContact CG2-CB 4.44Å; V190-L209 HydrophobicContact CG2-CB 3.8Å; V190-L209 HydrophobicContact CG2-CD1 4.37Å; V190-K212 HydrophobicContact CG1-CD 3.73Å; V190-K212 HydrophobicContact CG1-CG 4.36Å |
| 191 | A | 84.8 | Confident | 80 | Confident | 38 Ų | 38 | 66.4 Ų | 66.4 | 31% | 0.314 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 146.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V179 R180 | V179-A191 CarbonylContact O-C 3.5Å; V179-A191 VanDerWaalsContact O-CA 3.26Å; V179-A191 WeakPolarHBondContact O-CA 3.37Å; R180-A191 HydrophobicContact CB-CB 4.09Å; R180-A191 HydrophobicContact CG-CB 4.25Å |
| 192 | S | 81.8 | Confident | 79.6 | Confident | 10 Ų | 10 | 72.1 Ų | 72.1 | 7% | 0.07 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.8 | 170.4 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | V179 N201 | V179-S192 PolarHBondContact N-O 2.87Å; V179-S192 PolarHBondContact O-N 3.42Å; S192-N201 WeakPolarHBondContact CB-O 3.31Å; S192-N201 PolarHBondContact OG-OD1 3.2Å |
| 193 | Q | 81.8 | Confident | 79.2 | Confident | 82 Ų | 82 | 76.1 Ų | 76.1 | 38% | 0.383 | 40% | 0.4 | S | S | . | . | trans | -139.8 | 11.8 | 174.8 | 66 | 177.3 | -9.5 | 0 | 0 | 112.3 | A164 S165 A178 | A164-Q193 HydrophobicContact CB-CB 4.07Å; S165-Q193 PolarHBondContact OG-OE1 3.33Å; A178-Q193 HydrophobicContact CB-CB 3.59Å | ||
| 194 | A | 72.1 | Confident | 78.8 | Confident | 89 Ų | 89 | 77.2 Ų | 77.2 | 74% | 0.736 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -74.4 | -29.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N201 | A194-N201 PolarHBondContact N-OD1 3.33Š|
| 195 | Q | 73.4 | Confident | 79.1 | Confident | 92 Ų | 92 | 72.4 Ų | 72.4 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -94.4 | 150.8 | -176.7 | -63.2 | -68.2 | -7.4 | 0 | 0 | 111.5 | S197 H200 N201 | Q195-S197 VanDerWaalsContact C-N 3.27Å; Q195-S197 PolarHBondContact O-N 3.19Å; Q195-H200 HydrophobicContact CB-CB 3.78Å; Q195-H200 HydrophobicContact CG-CB 3.9Å; Q195-N201 WeakPolarHBondContact CB-OD1 3.3Å; Q195-N201 PolarHBondContact N-OD1 3.39Å; Q195-N201 PolarHBondContact O-ND2 3.45Å |
| 196 | R | 66.1 | Low | 79.7 | Confident | 245 Ų | 245 | 70.8 Ų | 70.8 | 93% | 0.925 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -72.6 | -21.3 | 176.9 | -64.2 | -175.8 | -178.4 | -176.5 | 1.3 | 112.8 | ||
| 197 | S | 74.2 | Confident | 79.9 | Confident | 49 Ų | 49 | 74 Ų | 74 | 34% | 0.343 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -96.8 | 134 | 179.8 | 176.1 | 0 | 0 | 0 | 0 | 112.2 | Q195 F199 H200 N201 | Q195-S197 VanDerWaalsContact C-N 3.27Å; Q195-S197 PolarHBondContact O-N 3.19Å; S197-F199 VanDerWaalsContact C-N 3.27Å; S197-F199 PolarHBondContact O-N 2.98Å; S197-F199 PolarHBondContact OG-N 3.42Å; S197-H200 PolarHBondContact O-N 3.03Å; S197-N201 PolarHBondContact O-N 2.69Å |
| 198 | Q | 74.9 | Confident | 80.1 | Confident | 87 Ų | 87 | 75.7 Ų | 75.7 | 41% | 0.407 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.4 | -38.5 | 171.8 | -173.8 | -166.3 | -10.7 | 0 | 0 | 112 | V161 S177 V179 N201 R202 | V161-Q198 HydrophobicContact CG1-CG 4.05Å; S177-Q198 WeakPolarHBondContact O-CA 3.26Å; V179-Q198 HydrophobicContact CG2-CG 3.78Å; V179-Q198 WeakPolarHBondContact CG2-O 3.19Å; Q198-N201 PolarHBondContact O-N 2.87Å; Q198-R202 PolarHBondContact O-N 2.97Å |
| 199 | F | 76 | Confident | 80.3 | Confident | 161 Ų | 161 | 75 Ų | 75 | 71% | 0.706 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.1 | -49.4 | 180 | -71.6 | -86 | 0 | 0 | 0 | 111.2 | S197 N201 R202 E203 | S197-F199 VanDerWaalsContact C-N 3.27Å; S197-F199 PolarHBondContact O-N 2.98Å; S197-F199 PolarHBondContact OG-N 3.42Å; F199-N201 VanDerWaalsContact C-N 3.32Å; F199-N201 PolarHBondContact O-N 2.71Å; F199-R202 WeakPolarHBondContact O-CB 3.47Å; F199-R202 PolarHBondContact O-N 2.91Å; F199-R202 VanDerWaalsContact O-N 3.16Å; F199-E203 WeakPolarHBondContact O-CB 3.45Å; F199-E203 PolarHBondContact O-N 2.91Å |
| 200 | H | 78.6 | Confident | 80 | Confident | 95 Ų | 95 | 76.9 Ų | 76.9 | 44% | 0.44 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.8 | -33.9 | 175 | -80.1 | -14 | 0 | 0 | 0 | 113.1 | Q195 S197 E203 T204 | Q195-H200 HydrophobicContact CB-CB 3.78Å; Q195-H200 HydrophobicContact CG-CB 3.9Å; S197-H200 PolarHBondContact O-N 3.03Å; H200-E203 IonicContact CE1-OE2 2.95Å; H200-E203 IonicContact ND1-OE2 2.74Å; H200-E203 PolarHBondContact ND1-OE2 3.26Å; H200-E203 PolarHBondContact O-N 2.63Å; H200-T204 VanDerWaalsContact O-CB 3.31Å; H200-T204 WeakPolarHBondContact O-CB 3.44Å; H200-T204 PolarHBondContact O-N 2.89Å; H200-T204 PolarHBondContact O-OG1 3.01Å |
| 201 | N | 82.5 | Confident | 79.5 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -68.1 | -38.5 | 173.4 | -78.7 | -32.4 | 0 | 0 | 0 | 112 | S177 V179 S192 A194 Q195 S197 Q198 F199 A205 | S177-N201 WeakPolarHBondContact O-CB 3.3Å; S177-N201 PolarHBondContact O-ND2 3.38Å; V179-N201 HydrophobicContact CB-CB 4.26Å; V179-N201 HydrophobicContact CG2-CB 4.03Å; S192-N201 WeakPolarHBondContact CB-O 3.31Å; S192-N201 PolarHBondContact OG-OD1 3.2Å; A194-N201 PolarHBondContact N-OD1 3.33Å; Q195-N201 WeakPolarHBondContact CB-OD1 3.3Å; Q195-N201 PolarHBondContact N-OD1 3.39Å; Q195-N201 PolarHBondContact O-ND2 3.45Å; S197-N201 PolarHBondContact O-N 2.69Å; Q198-N201 PolarHBondContact O-N 2.87Å; F199-N201 VanDerWaalsContact C-N 3.32Å; F199-N201 PolarHBondContact O-N 2.71Å; N201-A205 VanDerWaalsContact O-CB 3.23Å; N201-A205 WeakPolarHBondContact O-CB 3.43Å; N201-A205 PolarHBondContact O-N 2.85Å |
| 202 | R | 83.1 | Confident | 79.2 | Confident | 120 Ų | 120 | 82.8 Ų | 82.8 | 45% | 0.453 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 172.1 | -175.9 | 176.8 | 176.6 | 162.4 | 0.5 | 111.6 | V179 I181 Q198 F199 A205 M206 | V179-R202 HydrophobicContact CB-CB 4.43Å; V179-R202 HydrophobicContact CG1-CB 4.01Å; V179-R202 HydrophobicContact CG1-CG 4.29Å; V179-R202 HydrophobicContact CG2-CB 4.22Å; I181-R202 HydrophobicContact CD1-CG 4.26Å; Q198-R202 PolarHBondContact O-N 2.97Å; F199-R202 WeakPolarHBondContact O-CB 3.47Å; F199-R202 PolarHBondContact O-N 2.91Å; F199-R202 VanDerWaalsContact O-N 3.16Å; R202-A205 PolarHBondContact O-N 3.14Å; R202-M206 WeakPolarHBondContact O-CB 3.35Å; R202-M206 PolarHBondContact O-N 3.38Å |
| 203 | E | 79.7 | Confident | 79.1 | Confident | 110 Ų | 110 | 83 Ų | 83 | 51% | 0.514 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67 | -46 | 179.5 | -173.6 | 167.9 | -135.6 | 0 | 0 | 112 | F199 H200 A205 M206 Q207 | F199-E203 WeakPolarHBondContact O-CB 3.45Å; F199-E203 PolarHBondContact O-N 2.91Å; H200-E203 IonicContact CE1-OE2 2.95Å; H200-E203 IonicContact ND1-OE2 2.74Å; H200-E203 PolarHBondContact ND1-OE2 3.26Å; H200-E203 PolarHBondContact O-N 2.63Å; E203-A205 PolarHBondContact O-N 2.74Å; E203-M206 WeakPolarHBondContact O-CB 3.42Å; E203-M206 PolarHBondContact O-N 2.87Å; E203-M206 VanDerWaalsContact O-N 3.13Å; E203-Q207 PolarHBondContact O-N 3.36Å |
| 204 | T | 81.3 | Confident | 79 | Confident | 45 Ų | 45 | 84.4 Ų | 84.4 | 28% | 0.276 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59 | -46.5 | 172 | -52.7 | 0 | 0 | 0 | 0 | 110.7 | H200 M206 Q207 M208 | H200-T204 VanDerWaalsContact O-CB 3.31Å; H200-T204 WeakPolarHBondContact O-CB 3.44Å; H200-T204 PolarHBondContact O-N 2.89Å; H200-T204 PolarHBondContact O-OG1 3.01Å; T204-M206 VanDerWaalsContact C-N 3.29Å; T204-M206 PolarHBondContact O-N 2.89Å; T204-Q207 PolarHBondContact O-N 3.01Å; T204-M208 HydrophobicContact CG2-SD 4.36Å; T204-M208 WeakPolarHBondContact O-CG 3.22Å; T204-M208 PolarHBondContact O-N 3Å |
| 205 | A | 84.1 | Confident | 79 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.6 | -34.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | I181 V190 N201 R202 E203 M208 L209 | I181-A205 HydrophobicContact CD1-CB 3.78Å; I181-A205 HydrophobicContact CG1-CB 3.93Å; V190-A205 HydrophobicContact CG2-CB 4.43Å; V190-A205 VanDerWaalsContact CG2-O 3.24Å; V190-A205 WeakPolarHBondContact CG2-O 3.25Å; N201-A205 VanDerWaalsContact O-CB 3.23Å; N201-A205 WeakPolarHBondContact O-CB 3.43Å; N201-A205 PolarHBondContact O-N 2.85Å; R202-A205 PolarHBondContact O-N 3.14Å; E203-A205 PolarHBondContact O-N 2.74Å; A205-M208 PolarHBondContact O-N 3.31Å; A205-L209 WeakPolarHBondContact O-CB 3.48Å; A205-L209 PolarHBondContact O-N 2.92Å |
| 206 | M | 86.9 | Confident | 79.1 | Confident | 51 Ų | 51 | 83.5 Ų | 83.5 | 25% | 0.251 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 175.1 | -165.2 | 69 | 76.2 | 0 | 0 | 112.1 | L157 I181 R202 E203 T204 L209 K210 | L157-M206 HydrophobicContact CD1-CE 3.61Å; L157-M206 HydrophobicContact CD1-SD 3.84Å; I181-M206 HydrophobicContact CD1-CB 4.36Å; I181-M206 HydrophobicContact CD1-CE 4.1Å; I181-M206 HydrophobicContact CD1-SD 4.41Å; R202-M206 WeakPolarHBondContact O-CB 3.35Å; R202-M206 PolarHBondContact O-N 3.38Å; E203-M206 WeakPolarHBondContact O-CB 3.42Å; E203-M206 PolarHBondContact O-N 2.87Å; E203-M206 VanDerWaalsContact O-N 3.13Å; T204-M206 VanDerWaalsContact C-N 3.29Å; T204-M206 PolarHBondContact O-N 2.89Å; M206-L209 PolarHBondContact O-N 3.3Å; M206-L209 HydrophobicContact SD-CD2 4.47Å; M206-K210 PolarHBondContact O-N 2.68Å |
| 207 | Q | 81.9 | Confident | 79.4 | Confident | 140 Ų | 140 | 75.3 Ų | 75.3 | 65% | 0.654 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.5 | -44.3 | 172.5 | -72.2 | -174.7 | -11.1 | 0 | 0 | 111.5 | E203 T204 L209 K210 A211 | E203-Q207 PolarHBondContact O-N 3.36Å; T204-Q207 PolarHBondContact O-N 3.01Å; Q207-L209 PolarHBondContact O-N 3.25Å; Q207-K210 PolarHBondContact O-N 3.49Å; Q207-A211 WeakPolarHBondContact O-CB 3.12Å; Q207-A211 PolarHBondContact O-N 2.98Å |
| 208 | M | 82.5 | Confident | 79.2 | Confident | 84 Ų | 84 | 74.9 Ų | 74.9 | 41% | 0.414 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60 | -35 | 173.2 | -67.6 | 174.3 | 76.3 | 0 | 0 | 112.2 | V190 T204 A205 K212 | V190-M208 HydrophobicContact CB-CB 4.09Å; V190-M208 HydrophobicContact CG1-CB 4.07Å; V190-M208 HydrophobicContact CG2-CB 4.44Å; T204-M208 HydrophobicContact CG2-SD 4.36Å; T204-M208 WeakPolarHBondContact O-CG 3.22Å; T204-M208 PolarHBondContact O-N 3Å; A205-M208 PolarHBondContact O-N 3.31Å; M208-K212 PolarHBondContact O-N 2.79Å; M208-K212 VanDerWaalsContact O-N 3.09Å |
| 209 | L | 87.1 | Confident | 79 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.2 | -49.5 | 175.3 | -175.1 | 60.4 | 0 | 0 | 0 | 111.2 | I152 L157 I181 H183 T188 V190 A205 M206 Q207 A211 K212 L213 | I152-L209 HydrophobicContact CD1-CD2 4.19Å; I152-L209 HydrophobicContact CD1-CG 4.19Å; L157-L209 HydrophobicContact CD2-CD2 3.48Å; L157-L209 VanDerWaalsContact CD2-CD2 3.48Å; I181-L209 HydrophobicContact CG2-CD2 3.9Å; H183-L209 HydrophobicContact CB-CD1 3.84Å; H183-L209 HydrophobicContact CB-CD2 4.11Å; T188-L209 HydrophobicContact CG2-CD1 3.93Å; V190-L209 HydrophobicContact CG2-CB 3.8Å; V190-L209 HydrophobicContact CG2-CD1 4.37Å; A205-L209 WeakPolarHBondContact O-CB 3.48Å; A205-L209 PolarHBondContact O-N 2.92Å; M206-L209 PolarHBondContact O-N 3.3Å; M206-L209 HydrophobicContact SD-CD2 4.47Å; Q207-L209 PolarHBondContact O-N 3.25Å; L209-A211 VanDerWaalsContact C-N 3.29Å; L209-A211 PolarHBondContact O-N 3.17Å; L209-K212 PolarHBondContact O-N 3.42Å; L209-K212 VanDerWaalsContact O-N 3.17Å; L209-L213 HydrophobicContact CD1-CD1 3.93Å; L209-L213 HydrophobicContact CD1-CD2 4.4Å; L209-L213 HydrophobicContact CD1-CG 3.91Å; L209-L213 HydrophobicContact CD2-CD1 4.33Å; L209-L213 HydrophobicContact CG-CD1 3.8Å; L209-L213 HydrophobicContact CG-CG 4.16Å; L209-L213 WeakPolarHBondContact O-CG 3.09Å; L209-L213 PolarHBondContact O-N 3.34Å |
| 210 | K | 80.6 | Confident | 78.6 | Confident | 111 Ų | 111 | 70.5 Ų | 70.5 | 48% | 0.483 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.4 | -46.1 | 175.3 | -85 | -163.3 | 169.4 | -159.8 | 0 | 111.4 | I152 M206 Q207 K212 L213 Y214 | I152-K210 HydrophobicContact CD1-CB 4.45Å; I152-K210 HydrophobicContact CD1-CG 3.47Å; I152-K210 VanDerWaalsContact CD1-CG 3.47Å; I152-K210 HydrophobicContact CG1-CG 4.39Å; M206-K210 PolarHBondContact O-N 2.68Å; Q207-K210 PolarHBondContact O-N 3.49Å; K210-K212 PolarHBondContact O-N 3.41Å; K210-L213 PolarHBondContact O-N 3.25Å; K210-Y214 WeakPolarHBondContact O-CB 3.37Å; K210-Y214 PolarHBondContact O-N 3.34Å |
| 211 | A | 77.2 | Confident | 78 | Confident | 62 Ų | 62 | 68.8 Ų | 68.8 | 51% | 0.512 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q207 L209 Q215 | Q207-A211 WeakPolarHBondContact O-CB 3.12Å; Q207-A211 PolarHBondContact O-N 2.98Å; L209-A211 VanDerWaalsContact C-N 3.29Å; L209-A211 PolarHBondContact O-N 3.17Å; A211-Q215 WeakPolarHBondContact O-CB 3.45Å; A211-Q215 PolarHBondContact O-N 3.14Å |
| 212 | K | 78.6 | Confident | 77.1 | Confident | 105 Ų | 105 | 74.6 Ų | 74.6 | 46% | 0.457 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 176.9 | -79.2 | -162.7 | 179.6 | -176.1 | 0 | 113.7 | T188 V189 V190 M208 L209 K210 L216 | T188-K212 HydrophobicContact CG2-CB 3.88Å; T188-K212 HydrophobicContact CG2-CD 3.62Å; T188-K212 HydrophobicContact CG2-CG 4.43Å; V189-K212 PolarHBondContact O-NZ 3.01Å; V190-K212 HydrophobicContact CG1-CD 3.73Å; V190-K212 HydrophobicContact CG1-CG 4.36Å; M208-K212 PolarHBondContact O-N 2.79Å; M208-K212 VanDerWaalsContact O-N 3.09Å; L209-K212 PolarHBondContact O-N 3.42Å; L209-K212 VanDerWaalsContact O-N 3.17Å; K210-K212 PolarHBondContact O-N 3.41Å; K212-L216 WeakPolarHBondContact O-CB 3.31Å; K212-L216 WeakPolarHBondContact O-CG 3.23Å; K212-L216 PolarHBondContact O-N 2.88Å |
| 213 | L | 79.8 | Confident | 76.3 | Confident | 14 Ų | 14 | 75.2 Ų | 75.2 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -72.1 | -35.2 | 178 | -66.9 | 179.4 | 0 | 0 | 0 | 111.4 | V150 I152 T186 L209 K210 L216 E217 | V150-L213 HydrophobicContact CG1-CB 3.74Å; V150-L213 HydrophobicContact CG1-CD1 4.39Å; I152-L213 HydrophobicContact CD1-CD1 3.76Å; I152-L213 HydrophobicContact CG1-CD1 4Å; T186-L213 HydrophobicContact CG2-CD2 3.98Å; L209-L213 HydrophobicContact CD1-CD1 3.93Å; L209-L213 HydrophobicContact CD1-CD2 4.4Å; L209-L213 HydrophobicContact CD1-CG 3.91Å; L209-L213 HydrophobicContact CD2-CD1 4.33Å; L209-L213 HydrophobicContact CG-CD1 3.8Å; L209-L213 HydrophobicContact CG-CG 4.16Å; L209-L213 WeakPolarHBondContact O-CG 3.09Å; L209-L213 PolarHBondContact O-N 3.34Å; K210-L213 PolarHBondContact O-N 3.25Å; L213-L216 HydrophobicContact CD2-CD1 4.32Å; L213-L216 PolarHBondContact O-N 2.68Å; L213-E217 WeakPolarHBondContact O-CB 3.44Å; L213-E217 PolarHBondContact O-N 3.28Å |
| 214 | Y | 79.1 | Confident | 75.6 | Confident | 113 Ų | 113 | 73.7 Ų | 73.7 | 44% | 0.443 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 171.4 | -174.4 | -98.6 | 0 | 0 | 0 | 111.7 | I148 V150 K210 E217 I218 | I148-Y214 HydrophobicContact CB-CD2 4.22Å; I148-Y214 HydrophobicContact CB-CE2 3.75Å; I148-Y214 HydrophobicContact CD1-CE2 4.46Å; I148-Y214 HydrophobicContact CG2-CD2 3.73Å; I148-Y214 HydrophobicContact CG2-CE2 3.81Å; V150-Y214 HydrophobicContact CG2-CD2 3.97Å; V150-Y214 HydrophobicContact CG2-CG 4.49Å; K210-Y214 WeakPolarHBondContact O-CB 3.37Å; K210-Y214 PolarHBondContact O-N 3.34Å; Y214-E217 PolarHBondContact O-N 2.94Å; Y214-I218 HydrophobicContact CD1-CD1 3.8Å; Y214-I218 HydrophobicContact CE1-CD1 3.42Å; Y214-I218 VanDerWaalsContact CE1-CD1 3.42Å; Y214-I218 HydrophobicContact CE1-CG1 4.35Å; Y214-I218 WeakPolarHBondContact O-CG1 3.12Å; Y214-I218 PolarHBondContact O-N 2.74Å |
| 215 | Q | 72.7 | Confident | 74.7 | Confident | 91 Ų | 91 | 73 Ų | 73 | 43% | 0.425 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 174.4 | -178.6 | 60.5 | 36.1 | 0 | 0 | 112.3 | A211 E217 I218 E219 | A211-Q215 WeakPolarHBondContact O-CB 3.45Å; A211-Q215 PolarHBondContact O-N 3.14Å; Q215-E217 VanDerWaalsContact C-N 3.31Å; Q215-E217 PolarHBondContact O-N 3.03Å; Q215-I218 PolarHBondContact O-N 3.38Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.38Å; Q215-E219 PolarHBondContact NE2-OE1 3.29Å; Q215-E219 WeakPolarHBondContact O-CG 3.47Å; Q215-E219 PolarHBondContact O-N 2.93Å |
| 216 | L | 75.1 | Confident | 73.8 | Confident | 71 Ų | 71 | 76 Ų | 76 | 37% | 0.372 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.3 | -35.4 | 175.6 | -79.4 | 164.8 | 0 | 0 | 0 | 112.8 | K212 L213 K220 | K212-L216 WeakPolarHBondContact O-CB 3.31Å; K212-L216 WeakPolarHBondContact O-CG 3.23Å; K212-L216 PolarHBondContact O-N 2.88Å; L213-L216 HydrophobicContact CD2-CD1 4.32Å; L213-L216 PolarHBondContact O-N 2.68Å; L216-K220 WeakPolarHBondContact O-CB 3.35Å; L216-K220 PolarHBondContact O-N 2.85Å |
| 217 | E | 71.6 | Confident | 72.5 | Confident | 73 Ų | 73 | 77.4 Ų | 77.4 | 34% | 0.341 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -77.7 | -27.3 | 178.1 | -159.6 | 67 | -173.7 | 0 | 0 | 112 | I148 L213 Y214 Q215 K220 K221 | I148-E217 HydrophobicContact CG2-CB 4.11Å; I148-E217 HydrophobicContact CG2-CG 4.04Å; L213-E217 WeakPolarHBondContact O-CB 3.44Å; L213-E217 PolarHBondContact O-N 3.28Å; Y214-E217 PolarHBondContact O-N 2.94Å; Q215-E217 VanDerWaalsContact C-N 3.31Å; Q215-E217 PolarHBondContact O-N 3.03Å; E217-K220 VanDerWaalsContact CD-NZ 3.29Å; E217-K220 IonicContact OE1-NZ 2.7Å; E217-K220 PolarHBondContact OE1-NZ 3.34Å; E217-K220 IonicContact OE2-NZ 3.05Å; E217-K220 PolarHBondContact OE2-NZ 3.48Å; E217-K221 WeakPolarHBondContact O-CB 3.29Å; E217-K221 PolarHBondContact O-N 2.81Å |
| 218 | I | 70.3 | Confident | 71.8 | Confident | 40 Ų | 40 | 72.7 Ų | 72.7 | 21% | 0.205 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.2 | -56.4 | 164.6 | -73 | 173.4 | 0 | 0 | 0 | 110.2 | I148 Y214 Q215 K220 K221 E222 | I148-I218 HydrophobicContact CD1-CD1 4.41Å; I148-I218 HydrophobicContact CD1-CG1 3.47Å; I148-I218 VanDerWaalsContact CD1-CG1 3.47Å; Y214-I218 HydrophobicContact CD1-CD1 3.8Å; Y214-I218 HydrophobicContact CE1-CD1 3.42Å; Y214-I218 VanDerWaalsContact CE1-CD1 3.42Å; Y214-I218 HydrophobicContact CE1-CG1 4.35Å; Y214-I218 WeakPolarHBondContact O-CG1 3.12Å; Y214-I218 PolarHBondContact O-N 2.74Å; Q215-I218 PolarHBondContact O-N 3.38Å; I218-K220 PolarHBondContact O-N 3.2Å; I218-K220 VanDerWaalsContact O-N 3.11Å; I218-K221 CarbonylContact O-C 3.48Å; I218-K221 PolarHBondContact O-N 3.38Å; I218-E222 HydrophobicContact CG2-CG 4.25Å; I218-E222 WeakPolarHBondContact O-CG 3.46Å; I218-E222 PolarHBondContact O-N 3.45Å |
| 219 | E | 70.5 | Confident | 71.1 | Confident | 73 Ų | 73 | 72.7 Ų | 72.7 | 34% | 0.341 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -56.5 | -32.5 | -179.8 | -73.7 | 167.5 | -160.5 | 0 | 0 | 111.9 | Q215 Q223 | Q215-E219 WeakPolarHBondContact CG-OE1 3.38Å; Q215-E219 PolarHBondContact NE2-OE1 3.29Å; Q215-E219 WeakPolarHBondContact O-CG 3.47Å; Q215-E219 PolarHBondContact O-N 2.93Å; E219-Q223 WeakPolarHBondContact O-CB 3.27Å; E219-Q223 WeakPolarHBondContact O-CG 3.5Å; E219-Q223 PolarHBondContact O-N 3.28Å; E219-Q223 PolarHBondContact O-NE2 3.07Å |
| 220 | K | 68.1 | Low | 70 | Confident | 82 Ų | 82 | 74.8 Ų | 74.8 | 36% | 0.357 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -73.8 | -43.5 | 173.1 | 174.6 | 168.1 | 154.1 | -71.7 | 0 | 112.9 | L216 E217 I218 E222 Q223 E224 | L216-K220 WeakPolarHBondContact O-CB 3.35Å; L216-K220 PolarHBondContact O-N 2.85Å; E217-K220 VanDerWaalsContact CD-NZ 3.29Å; E217-K220 IonicContact OE1-NZ 2.7Å; E217-K220 PolarHBondContact OE1-NZ 3.34Å; E217-K220 IonicContact OE2-NZ 3.05Å; E217-K220 PolarHBondContact OE2-NZ 3.48Å; I218-K220 PolarHBondContact O-N 3.2Å; I218-K220 VanDerWaalsContact O-N 3.11Å; K220-E222 VanDerWaalsContact C-N 3.34Å; K220-Q223 PolarHBondContact O-N 3.3Å; K220-E224 VanDerWaalsContact CE-OE1 3.25Å; K220-E224 WeakPolarHBondContact CE-OE1 3.2Å; K220-E224 WeakPolarHBondContact CG-OE1 3.16Å; K220-E224 IonicContact NZ-OE1 2.67Å; K220-E224 PolarHBondContact NZ-OE1 3.23Å; K220-E224 WeakPolarHBondContact O-CB 3.28Å; K220-E224 WeakPolarHBondContact O-CG 3.46Å; K220-E224 PolarHBondContact O-N 2.87Å |
| 221 | K | 66.4 | Low | 69.2 | Low | 60 Ų | 60 | 78.6 Ų | 78.6 | 26% | 0.261 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 172 | -83.4 | -163.5 | -178.3 | -174.6 | 0 | 111.9 | D145 E146 N147 I148 E217 I218 E224 A225 | D145-K221 PolarHBondContact O-NZ 2.86Å; E146-K221 PolarHBondContact O-NZ 3.18Å; N147-K221 PolarHBondContact O-NZ 2.96Å; I148-K221 HydrophobicContact CD1-CD 4.07Å; I148-K221 HydrophobicContact CG1-CD 4.02Å; E217-K221 WeakPolarHBondContact O-CB 3.29Å; E217-K221 PolarHBondContact O-N 2.81Å; I218-K221 CarbonylContact O-C 3.48Å; I218-K221 PolarHBondContact O-N 3.38Å; K221-E224 PolarHBondContact O-N 2.91Å; K221-A225 VanDerWaalsContact O-CB 3.3Å; K221-A225 WeakPolarHBondContact O-CB 3.41Å; K221-A225 PolarHBondContact O-N 3.19Å |
| 222 | E | 63.5 | Low | 68.6 | Low | 122 Ų | 122 | 82.2 Ų | 82.2 | 57% | 0.57 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.2 | -42.2 | 174.4 | -71.8 | 178.9 | 164.7 | 0 | 0 | 111.4 | I218 K220 A226 | I218-E222 HydrophobicContact CG2-CG 4.25Å; I218-E222 WeakPolarHBondContact O-CG 3.46Å; I218-E222 PolarHBondContact O-N 3.45Å; K220-E222 VanDerWaalsContact C-N 3.34Å; E222-A226 VanDerWaalsContact O-CB 3.22Å; E222-A226 WeakPolarHBondContact O-CB 3.2Å; E222-A226 PolarHBondContact O-N 3.29Å |
| 223 | Q | 66 | Low | 68.4 | Low | 133 Ų | 133 | 84 Ų | 84 | 62% | 0.621 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.6 | -39.4 | 174 | -76.3 | 169 | 48.2 | 0 | 0 | 113 | E219 K220 A227 | E219-Q223 WeakPolarHBondContact O-CB 3.27Å; E219-Q223 WeakPolarHBondContact O-CG 3.5Å; E219-Q223 PolarHBondContact O-N 3.28Å; E219-Q223 PolarHBondContact O-NE2 3.07Å; K220-Q223 PolarHBondContact O-N 3.3Å; Q223-A227 VanDerWaalsContact O-CB 3.23Å; Q223-A227 WeakPolarHBondContact O-CB 3.44Å; Q223-A227 PolarHBondContact O-N 2.97Å |
| 224 | E | 63.7 | Low | 68.2 | Low | 77 Ų | 77 | 90.6 Ų | 90.6 | 36% | 0.36 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 174.7 | -74.5 | 174 | -160.5 | 0 | 0 | 111 | K220 K221 A227 L228 | K220-E224 VanDerWaalsContact CE-OE1 3.25Å; K220-E224 WeakPolarHBondContact CE-OE1 3.2Å; K220-E224 WeakPolarHBondContact CG-OE1 3.16Å; K220-E224 IonicContact NZ-OE1 2.67Å; K220-E224 PolarHBondContact NZ-OE1 3.23Å; K220-E224 WeakPolarHBondContact O-CB 3.28Å; K220-E224 WeakPolarHBondContact O-CG 3.46Å; K220-E224 PolarHBondContact O-N 2.87Å; K221-E224 PolarHBondContact O-N 2.91Å; E224-A227 PolarHBondContact O-N 3.34Å; E224-L228 WeakPolarHBondContact O-CG 3.43Å; E224-L228 PolarHBondContact O-N 3.49Å |
| 225 | A | 64.1 | Low | 68.3 | Low | 32 Ų | 32 | 87.5 Ų | 87.5 | 26% | 0.264 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L144 K221 A227 L228 R229 | L144-A225 HydrophobicContact CD1-CB 4.19Å; K221-A225 VanDerWaalsContact O-CB 3.3Å; K221-A225 WeakPolarHBondContact O-CB 3.41Å; K221-A225 PolarHBondContact O-N 3.19Å; A225-A227 VanDerWaalsContact C-N 3.34Å; A225-A227 PolarHBondContact O-N 3.48Å; A225-L228 PolarHBondContact O-N 2.94Å; A225-R229 WeakPolarHBondContact O-CB 3.35Å; A225-R229 PolarHBondContact O-N 2.9Å |
| 226 | A | 63.6 | Low | 68.3 | Low | 62 Ų | 62 | 83.3 Ų | 83.3 | 51% | 0.512 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E222 R229 G230 | E222-A226 VanDerWaalsContact O-CB 3.22Å; E222-A226 WeakPolarHBondContact O-CB 3.2Å; E222-A226 PolarHBondContact O-N 3.29Å; A226-R229 PolarHBondContact O-N 3.29Å; A226-G230 PolarHBondContact O-N 2.89Å |
| 227 | A | 61.3 | Low | 67.9 | Low | 80 Ų | 80 | 87.9 Ų | 87.9 | 66% | 0.661 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -68.1 | -35.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q223 E224 A225 | Q223-A227 VanDerWaalsContact O-CB 3.23Å; Q223-A227 WeakPolarHBondContact O-CB 3.44Å; Q223-A227 PolarHBondContact O-N 2.97Å; E224-A227 PolarHBondContact O-N 3.34Å; A225-A227 VanDerWaalsContact C-N 3.34Å; A225-A227 PolarHBondContact O-N 3.48Å |
| 228 | L | 67 | Low | 67.9 | Low | 41 Ų | 41 | 87.6 Ų | 87.6 | 22% | 0.215 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 171.1 | -75.2 | 166.8 | 0 | 0 | 0 | 112 | Y41 K114 P142 L144 E224 A225 | Y41-L228 HydrophobicContact CD2-CD1 4.41Å; Y41-L228 HydrophobicContact CD2-CD2 4.03Å; Y41-L228 HydrophobicContact CE1-CD1 4.39Å; Y41-L228 HydrophobicContact CE2-CD1 3.95Å; Y41-L228 HydrophobicContact CE2-CD2 3.94Å; Y41-L228 HydrophobicContact CE2-CG 4.46Å; K114-L228 PolarHBondContact NZ-O 3.42Å; P142-L228 HydrophobicContact CG-CD1 4.18Å; L144-L228 HydrophobicContact CD1-CD1 4.37Å; L144-L228 HydrophobicContact CD2-CD1 4.18Å; E224-L228 WeakPolarHBondContact O-CG 3.43Å; E224-L228 PolarHBondContact O-N 3.49Å; A225-L228 PolarHBondContact O-N 2.94Å |
| 229 | R | 66.1 | Low | 68.4 | Low | 84 Ų | 84 | 86.6 Ų | 86.6 | 32% | 0.317 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69 | -44.7 | 177.3 | -155.9 | 169.9 | -165.3 | 149.5 | 13.6 | 111.4 | E49 K114 E139 M141 A225 A226 | E49-R229 IonicContact OE1-NH2 3.1Å; E49-R229 PolarHBondContact OE1-NH2 3.29Å; E49-R229 IonicContact OE2-NH2 3.78Å; E49-R229 PolarHBondContact OE2-NH2 3.33Å; K114-R229 WeakPolarHBondContact CE-O 3.41Å; K114-R229 PolarHBondContact NZ-O 3.24Å; E139-R229 IonicContact OE2-CZ 3.63Å; E139-R229 IonicContact OE2-NE 3.32Å; E139-R229 PolarHBondContact OE2-NE 2.82Å; E139-R229 IonicContact OE2-NH2 3.72Å; E139-R229 PolarHBondContact OE2-NH2 2.9Å; M141-R229 HydrophobicContact SD-CB 4.39Å; M141-R229 HydrophobicContact SD-CG 4.14Å; A225-R229 WeakPolarHBondContact O-CB 3.35Å; A225-R229 PolarHBondContact O-N 2.9Å; A226-R229 PolarHBondContact O-N 3.29Å |
| 230 | G | 64.2 | Low | 69 | Low | 45 Ų | 45 | 85 Ų | 85 | 46% | 0.464 | 45% | 0.447 | S | S | . | . | trans | 74 | -171.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A226 Q232 | A226-G230 PolarHBondContact O-N 2.89Å; G230-Q232 PolarHBondContact O-N 3.47Å | ||
| 231 | E | 64.1 | Low | 70 | Confident | 191 Ų | 191 | 82.1 Ų | 82.1 | 89% | 0.893 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 118.6 | 175.1 | -71.7 | -173.1 | 143.7 | 0 | 0 | 111.2 | K233 | E231-K233 PolarHBondContact O-N 2.89Š|
| 232 | Q | 64.5 | Low | 71.3 | Confident | 137 Ų | 137 | 79.2 Ų | 79.2 | 64% | 0.64 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 122.7 | 166.2 | -72.1 | -178.1 | -33.1 | 0 | 0 | 109.6 | E139 G230 | E139-Q232 WeakPolarHBondContact OE1-CG 3.3Å; E139-Q232 PolarHBondContact OE1-NE2 3.23Å; G230-Q232 PolarHBondContact O-N 3.47Å |
| 233 | K | 74 | Confident | 72.7 | Confident | 143 Ų | 143 | 73.9 Ų | 73.9 | 62% | 0.622 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -88.5 | 154.9 | 173.6 | -66.4 | -170.6 | 176.7 | -175.9 | 0 | 111 | E231 I235 | E231-K233 PolarHBondContact O-N 2.89Å; K233-I235 PolarHBondContact O-N 2.97Å |
| 234 | E | 76.8 | Confident | 74.1 | Confident | 152 Ų | 152 | 67.6 Ų | 67.6 | 71% | 0.71 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 129 | 173.3 | -174.6 | -177.5 | 166.3 | 0 | 0 | 110.8 | G236 S239 | E234-G236 PolarHBondContact O-N 3.33Å; E234-S239 WeakPolarHBondContact O-CB 3.43Å; E234-S239 PolarHBondContact O-OG 3.48Å |
| 235 | I | 80.4 | Confident | 75.4 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -81 | 64.6 | -177.1 | -41.1 | 177.2 | 0 | 0 | 0 | 110 | H51 A54 V116 F135 K233 | H51-I235 HydrophobicContact CB-CD1 4.18Å; A54-I235 PolarHBondContact N-O 3.39Å; A54-I235 VanDerWaalsContact N-O 3.08Å; V116-I235 HydrophobicContact CG1-CG2 4.11Å; V116-I235 HydrophobicContact CG2-CG2 4.38Å; F135-I235 HydrophobicContact CB-CG2 4.2Å; K233-I235 PolarHBondContact O-N 2.97Å |
| 236 | G | 74 | Confident | 76.6 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -163.8 | -157.6 | -171 | 0 | 0 | 0 | 0 | 0 | 113.2 | F135 E234 | F135-G236 WeakPolarHBondContact CD1-O 3.36Å; F135-G236 VanDerWaalsContact CE1-C 3.46Å; F135-G236 VanDerWaalsContact CE1-O 3.28Å; F135-G236 WeakPolarHBondContact CE1-O 3.42Å; E234-G236 PolarHBondContact O-N 3.33Å |
| 237 | W | 65.1 | Low | 77.3 | Confident | 167 Ų | 167 | 67.3 Ų | 67.3 | 63% | 0.633 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 132.3 | -172.3 | -71.7 | 86.5 | 0 | 0 | 0 | 113.1 | R118 T133 F135 | R118-W237 VanDerWaalsContact NH2-CH2 3.26Å; T133-W237 HydrophobicContact CG2-CH2 4.11Å; T133-W237 HydrophobicContact CG2-CZ2 3.67Å; F135-W237 AromaticContact CE2-CD1 3.67Å; F135-W237 HydrophobicContact CE2-CD2 4.33Å; F135-W237 HydrophobicContact CE2-CG 4.13Å; F135-W237 AromaticContact CE2-NE1 3.59Å; F135-W237 HydrophobicContact CZ-CB 4.33Å; F135-W237 AromaticContact CZ-CD1 3.71Å; F135-W237 AromaticContact CZ-CD2 3.76Å; F135-W237 HydrophobicContact CZ-CD2 3.76Å; F135-W237 AromaticContact CZ-CE2 3.86Å; F135-W237 HydrophobicContact CZ-CE3 4.43Å; F135-W237 AromaticContact CZ-CG 3.68Å; F135-W237 HydrophobicContact CZ-CG 3.68Å; F135-W237 AromaticContact CZ-NE1 3.8Å |
| 238 | G | 72.5 | Confident | 77.7 | Confident | 67 Ų | 67 | 67.5 Ų | 67.5 | 69% | 0.691 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | -18.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 239 | S | 80.7 | Confident | 78.5 | Confident | 19 Ų | 19 | 71.9 Ų | 71.9 | 13% | 0.133 | 36% | 0.361 | C | S | . | . | trans | -90.8 | -10.1 | 176.9 | -60.3 | 0 | 0 | 0 | 0 | 114.3 | E234 I241 | E234-S239 WeakPolarHBondContact O-CB 3.43Å; E234-S239 PolarHBondContact O-OG 3.48Å; S239-I241 PolarHBondContact O-N 2.94Å | ||
| 240 | Q | 82.8 | Confident | 79.5 | Confident | 39 Ų | 39 | 71.3 Ų | 71.3 | 18% | 0.182 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 131.2 | -168.6 | 75.7 | -67.2 | -38.6 | 0 | 0 | 113.6 | V116 R118 F135 | V116-Q240 CarbonylContact O-C 3.57Å; V116-Q240 VanDerWaalsContact O-CA 3.22Å; V116-Q240 WeakPolarHBondContact O-CA 3.43Å; R118-Q240 HydrophobicContact CB-CB 3.91Å; R118-Q240 HydrophobicContact CB-CG 4.17Å; F135-Q240 HydrophobicContact CE1-CB 4.36Å |
| 241 | I | 90.2 | Very high | 80.9 | Confident | 22 Ų | 22 | 71.7 Ų | 71.7 | 11% | 0.113 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -31.4 | 173.2 | 57.4 | 161.4 | 0 | 0 | 0 | 112.1 | V116 H117 S239 H255 R256 | V116-I241 WeakPolarHBondContact O-CG1 3.41Å; V116-I241 PolarHBondContact O-N 2.77Å; H117-I241 VanDerWaalsContact NE2-CD1 3.3Å; H117-I241 WeakPolarHBondContact NE2-CD1 3.31Å; S239-I241 PolarHBondContact O-N 2.94Å; I241-H255 PolarHBondContact O-CD2 3.35Å; I241-H255 PolarHBondContact O-N 3.4Å; I241-R256 HydrophobicContact CB-CG 4.5Å; I241-R256 HydrophobicContact CG2-CG 4.46Å |
| 242 | R | 93.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 141.6 | -179.9 | -160.3 | 175 | -62.6 | 145.4 | 4.9 | 111.3 | E113 R118 Y244 V252 K253 D254 | E113-R242 IonicContact OE1-CZ 3.58Å; E113-R242 IonicContact OE1-NH1 2.63Å; E113-R242 PolarHBondContact OE1-NH1 3.46Å; E113-R242 IonicContact OE1-NH2 2.65Å; E113-R242 PolarHBondContact OE1-NH2 3.11Å; E113-R242 IonicContact OE2-CZ 2.8Å; E113-R242 IonicContact OE2-NH1 3.61Å; E113-R242 PolarHBondContact OE2-NH1 3.38Å; E113-R242 IonicContact OE2-NH2 2.69Å; R118-R242 PolarHBondContact N-O 3.31Å; R242-Y244 HydrophobicContact CB-CE2 4.02Å; R242-Y244 HydrophobicContact CG-CD2 4.42Å; R242-Y244 HydrophobicContact CG-CE2 3.85Å; R242-Y244 PolarHBondContact NH1-OH 3.44Å; R242-V252 HydrophobicContact CG-CG1 3.89Å; R242-K253 WeakPolarHBondContact CA-O 3.16Å; R242-K253 WeakPolarHBondContact CG-O 3.36Å; R242-D254 HydrophobicContact CG-CB 4.26Å; R242-D254 IonicContact CZ-OD2 2.65Å; R242-D254 IonicContact NE-OD2 2.69Å; R242-D254 PolarHBondContact NE-OD2 2.99Å; R242-D254 IonicContact NH2-OD2 3.8Å; R242-D254 PolarHBondContact NH2-OD2 3.07Å |
| 243 | S | 92.2 | Very high | 83.8 | Confident | 10 Ų | 10 | 57.6 Ų | 57.6 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.9 | 174.2 | -72.1 | 0 | 0 | 0 | 0 | 110.9 | R118 V252 K253 H255 | R118-S243 CarbonylContact O-C 3.57Å; R118-S243 WeakPolarHBondContact O-CA 3.14Å; S243-V252 WeakPolarHBondContact O-CA 3.49Å; S243-K253 PolarHBondContact N-O 3.41Å; S243-K253 PolarHBondContact O-N 3.02Å; S243-H255 WeakPolarHBondContact CB-NE2 3.18Å; S243-H255 PolarHBondContact N-NE2 3.07Å; S243-H255 PolarHBondContact OG-NE2 3.45Å |
| 244 | Y | 95.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 102.2 | 177.2 | -61.9 | -111.8 | 0 | 0 | 0 | 108 | W62 M69 H117 R118 L119 V120 R242 V252 V267 M268 | W62-Y244 AromaticContact CH2-CD1 3.71Å; W62-Y244 HydrophobicContact CH2-CD1 3.71Å; W62-Y244 AromaticContact CH2-CD2 3.7Å; W62-Y244 HydrophobicContact CH2-CD2 3.7Å; W62-Y244 HydrophobicContact CH2-CE1 4.06Å; W62-Y244 HydrophobicContact CH2-CE2 4.07Å; W62-Y244 AromaticContact CH2-CG 3.52Å; W62-Y244 HydrophobicContact CH2-CG 3.52Å; W62-Y244 HydrophobicContact CZ2-CD1 4.41Å; W62-Y244 AromaticContact CZ2-CD2 3.54Å; W62-Y244 HydrophobicContact CZ2-CD2 3.54Å; W62-Y244 AromaticContact CZ2-CE2 3.87Å; W62-Y244 HydrophobicContact CZ2-CE2 3.87Å; W62-Y244 AromaticContact CZ2-CG 3.85Å; W62-Y244 HydrophobicContact CZ2-CG 3.85Å; M69-Y244 HydrophobicContact SD-CE1 3.93Å; H117-Y244 HydrophobicContact CB-CE2 4.24Å; H117-Y244 AromaticContact ND1-CE2 3.46Å; H117-Y244 WeakPolarHBondContact ND1-CE2 3.2Å; H117-Y244 AromaticContact ND1-CZ 3.72Å; H117-Y244 PolarHBondContact ND1-OH 2.93Å; H117-Y244 VanDerWaalsContact ND1-OH 3.13Å; R118-Y244 PolarHBondContact O-N 3.18Å; L119-Y244 CarbonylContact C-O 3.54Å; V120-Y244 PolarHBondContact N-O 3.01Å; R242-Y244 HydrophobicContact CB-CE2 4.02Å; R242-Y244 HydrophobicContact CG-CD2 4.42Å; R242-Y244 HydrophobicContact CG-CE2 3.85Å; R242-Y244 PolarHBondContact NH1-OH 3.44Å; Y244-V252 HydrophobicContact CD1-CB 4.34Å; Y244-V252 HydrophobicContact CD1-CG1 3.68Å; Y244-V252 HydrophobicContact CD1-CG2 3.65Å; Y244-V252 HydrophobicContact CD2-CG1 4.32Å; Y244-V252 HydrophobicContact CE1-CG1 3.77Å; Y244-V252 HydrophobicContact CE1-CG2 4.27Å; Y244-V252 HydrophobicContact CE2-CG1 4.37Å; Y244-V252 HydrophobicContact CG-CG1 3.98Å; Y244-V252 HydrophobicContact CG-CG2 4.25Å; Y244-V267 HydrophobicContact CE1-CG1 3.89Å; Y244-M268 HydrophobicContact CD1-SD 3.82Å; Y244-M268 HydrophobicContact CE1-SD 4.03Å |
| 245 | V | 91.6 | Very high | 85.2 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 125.6 | -177.5 | -168.6 | 0 | 0 | 0 | 0 | 109.1 | V120 Y249 S250 M251 V264 | V120-V245 HydrophobicContact CB-CB 4.47Å; V120-V245 HydrophobicContact CB-CG1 4.21Å; V120-V245 HydrophobicContact CB-CG2 4.27Å; V120-V245 HydrophobicContact CG1-CG1 4.25Å; V120-V245 HydrophobicContact CG2-CG2 4.45Å; V245-Y249 CarbonylContact C-O 3.3Å; V245-Y249 HydrophobicContact CB-CE2 4.24Å; V245-Y249 HydrophobicContact CG1-CD2 4.22Å; V245-Y249 HydrophobicContact CG1-CE2 4Å; V245-Y249 WeakPolarHBondContact CG1-O 3.43Å; V245-Y249 HydrophobicContact CG2-CE2 4.49Å; V245-S250 CarbonylContact O-C 3.51Å; V245-S250 WeakPolarHBondContact O-CA 3.48Å; V245-M251 PolarHBondContact N-O 2.86Å; V245-M251 PolarHBondContact O-N 2.89Å; V245-V264 WeakPolarHBondContact O-CG2 3.28Å |
| 246 | F | 88.3 | Confident | 85.4 | Confident | 61 Ų | 61 | 46.8 Ų | 46.8 | 27% | 0.268 | 24% | 0.243 | S | C | . | . | trans | -108.4 | -18 | 175.8 | -70.3 | -112.4 | 0 | 0 | 0 | 112 | M65 L119 V120 R121 Y249 V264 M268 | M65-F246 HydrophobicContact CE-CE2 4.47Å; M65-F246 HydrophobicContact CE-CZ 3.86Å; L119-F246 HydrophobicContact CD1-CD2 3.58Å; L119-F246 HydrophobicContact CD1-CE2 3.35Å; L119-F246 HydrophobicContact CD1-CZ 4.37Å; V120-F246 PolarHBondContact O-N 3.13Å; R121-F246 HydrophobicContact CB-CB 3.96Å; R121-F246 HydrophobicContact CB-CD2 4.39Å; R121-F246 HydrophobicContact CB-CG 4.32Å; F246-Y249 CarbonylContact C-O 3.55Å; F246-V264 HydrophobicContact CD1-CG1 4.14Å; F246-V264 HydrophobicContact CD2-CG1 4.11Å; F246-V264 HydrophobicContact CE1-CG1 3.77Å; F246-V264 HydrophobicContact CE2-CG1 3.71Å; F246-V264 HydrophobicContact CG-CG1 4.32Å; F246-V264 HydrophobicContact CZ-CG1 3.55Å; F246-M268 HydrophobicContact CZ-CG 3.9Å; F246-M268 HydrophobicContact CZ-SD 4.44Å | ||
| 247 | H | 78.1 | Confident | 85.8 | Confident | 85 Ų | 85 | 48 Ų | 48 | 39% | 0.394 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -153.8 | 133.5 | -177.5 | -168.8 | -89.9 | 0 | 0 | 0 | 111.8 | I122 R131 Y249 | I122-H247 HydrophobicContact CG1-CB 4.37Å; R131-H247 WeakPolarHBondContact CD-O 3.38Å; H247-Y249 PolarHBondContact N-O 2.9Å |
| 248 | P | 70.6 | Confident | 86.5 | Confident | 85 Ų | 85 | 45.4 Ų | 45.4 | 55% | 0.552 | 25% | 0.245 | S | C | * | . | S | Bend | cis | -84.5 | -1.5 | 10 | 34.3 | -35.6 | 0 | 0 | 0 | 115.4 | ||
| 249 | Y | 83.3 | Confident | 87.3 | Confident | 133 Ų | 133 | 46.4 Ų | 46.4 | 52% | 0.522 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -133.8 | 153 | 174.5 | 49.5 | -97.5 | 0 | 0 | 0 | 109.9 | V245 F246 H247 M251 | V245-Y249 CarbonylContact C-O 3.3Å; V245-Y249 HydrophobicContact CB-CE2 4.24Å; V245-Y249 HydrophobicContact CG1-CD2 4.22Å; V245-Y249 HydrophobicContact CG1-CE2 4Å; V245-Y249 WeakPolarHBondContact CG1-O 3.43Å; V245-Y249 HydrophobicContact CG2-CE2 4.49Å; F246-Y249 CarbonylContact C-O 3.55Å; H247-Y249 PolarHBondContact N-O 2.9Å; Y249-M251 HydrophobicContact CD2-CB 3.82Å; Y249-M251 HydrophobicContact CE2-CB 4.04Å; Y249-M251 HydrophobicContact CE2-SD 4.12Å |
| 250 | S | 87.6 | Confident | 87.7 | Confident | 72 Ų | 72 | 49.9 Ų | 49.9 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | trans | -85.9 | 114.9 | 172.7 | -61.1 | 0 | 0 | 0 | 0 | 109.6 | V245 G262 | V245-S250 CarbonylContact O-C 3.51Å; V245-S250 WeakPolarHBondContact O-CA 3.48Å; S250-G262 WeakPolarHBondContact O-CA 3.37Å | ||
| 251 | M | 93.5 | Very high | 88.1 | Confident | 52 Ų | 52 | 49.6 Ų | 49.6 | 26% | 0.256 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 132.9 | 175.8 | 178.8 | -174.5 | -80.4 | 0 | 0 | 111 | V245 Y249 E260 T261 | V245-M251 PolarHBondContact N-O 2.86Å; V245-M251 PolarHBondContact O-N 2.89Å; Y249-M251 HydrophobicContact CD2-CB 3.82Å; Y249-M251 HydrophobicContact CE2-CB 4.04Å; Y249-M251 HydrophobicContact CE2-SD 4.12Å; M251-E260 VanDerWaalsContact CE-OE1 3.26Å; M251-E260 WeakPolarHBondContact CE-OE1 3.43Å; M251-E260 HydrophobicContact CG-CB 4.46Å; M251-T261 CarbonylContact C-O 3.45Å; M251-T261 WeakPolarHBondContact CA-O 3.37Å |
| 252 | V | 94.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.2 | 161.5 | -171.6 | 0 | 0 | 0 | 0 | 108.5 | R242 S243 Y244 E260 T261 V264 V267 F275 | R242-V252 HydrophobicContact CG-CG1 3.89Å; S243-V252 WeakPolarHBondContact O-CA 3.49Å; Y244-V252 HydrophobicContact CD1-CB 4.34Å; Y244-V252 HydrophobicContact CD1-CG1 3.68Å; Y244-V252 HydrophobicContact CD1-CG2 3.65Å; Y244-V252 HydrophobicContact CD2-CG1 4.32Å; Y244-V252 HydrophobicContact CE1-CG1 3.77Å; Y244-V252 HydrophobicContact CE1-CG2 4.27Å; Y244-V252 HydrophobicContact CE2-CG1 4.37Å; Y244-V252 HydrophobicContact CG-CG1 3.98Å; Y244-V252 HydrophobicContact CG-CG2 4.25Å; V252-E260 CarbonylContact O-C 3.15Å; V252-E260 WeakPolarHBondContact O-CA 3.15Å; V252-T261 HydrophobicContact CB-CG2 4.38Å; V252-T261 PolarHBondContact N-O 3.47Å; V252-T261 PolarHBondContact O-N 2.97Å; V252-V264 HydrophobicContact CG2-CB 4.17Å; V252-V264 HydrophobicContact CG2-CG1 4.01Å; V252-V264 HydrophobicContact CG2-CG2 3.92Å; V252-V267 HydrophobicContact CG1-CG1 4.45Å; V252-V267 HydrophobicContact CG2-CB 4.22Å; V252-V267 HydrophobicContact CG2-CG1 4.28Å; V252-V267 HydrophobicContact CG2-CG2 4.15Å; V252-F275 HydrophobicContact CB-CE2 4.33Å; V252-F275 HydrophobicContact CB-CZ 3.77Å; V252-F275 HydrophobicContact CG1-CE1 4.14Å; V252-F275 HydrophobicContact CG1-CE2 4.07Å; V252-F275 HydrophobicContact CG1-CZ 3.52Å |
| 253 | K | 93.6 | Very high | 87.7 | Confident | 32 Ų | 32 | 55.3 Ų | 55.3 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 135.3 | 178.1 | -179.9 | 177.6 | -175.9 | 87.5 | 0 | 112.2 | R242 S243 E258 Y259 E260 | R242-K253 WeakPolarHBondContact CA-O 3.16Å; R242-K253 WeakPolarHBondContact CG-O 3.36Å; S243-K253 PolarHBondContact N-O 3.41Å; S243-K253 PolarHBondContact O-N 3.02Å; K253-E258 VanDerWaalsContact CE-OE1 3.28Å; K253-E258 WeakPolarHBondContact CE-OE1 3.4Å; K253-E258 WeakPolarHBondContact CE-OE2 3.44Å; K253-E258 PolarHBondContact NZ-O 3.41Å; K253-E258 IonicContact NZ-OE1 3.6Å; K253-E258 IonicContact NZ-OE2 3.19Å; K253-E258 PolarHBondContact NZ-OE2 3.32Å; K253-Y259 WeakPolarHBondContact CA-O 3.38Å; K253-E260 HydrophobicContact CB-CB 3.81Å; K253-E260 HydrophobicContact CD-CB 4.4Å; K253-E260 WeakPolarHBondContact CD-OE2 3.3Å; K253-E260 HydrophobicContact CG-CB 3.94Å; K253-E260 IonicContact NZ-OE2 3.04Å; K253-E260 PolarHBondContact NZ-OE2 2.64Å |
| 254 | D | 92.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.2 | 172.4 | -161.4 | -61.6 | 0 | 0 | 0 | 110.5 | R242 R256 E258 Y259 F275 | R242-D254 HydrophobicContact CG-CB 4.26Å; R242-D254 IonicContact CZ-OD2 2.65Å; R242-D254 IonicContact NE-OD2 2.69Å; R242-D254 PolarHBondContact NE-OD2 2.99Å; R242-D254 IonicContact NH2-OD2 3.8Å; R242-D254 PolarHBondContact NH2-OD2 3.07Å; D254-R256 PolarHBondContact O-N 3.34Å; D254-R256 WeakPolarHBondContact OD1-CB 3.33Å; D254-R256 IonicContact OD1-CZ 2.64Å; D254-R256 PolarHBondContact OD1-N 3.13Å; D254-R256 VanDerWaalsContact OD1-N 3.12Å; D254-R256 IonicContact OD1-NE 3.68Å; D254-R256 PolarHBondContact OD1-NE 3.28Å; D254-R256 IonicContact OD1-NH2 2.7Å; D254-R256 IonicContact OD2-CZ 2.9Å; D254-R256 IonicContact OD2-NE 3.58Å; D254-R256 IonicContact OD2-NH2 2.93Å; D254-R256 PolarHBondContact OD2-NH2 3.09Å; D254-E258 VanDerWaalsContact O-CA 3.29Å; D254-E258 WeakPolarHBondContact O-CA 3.33Å; D254-E258 PolarHBondContact O-N 3.06Å; D254-Y259 PolarHBondContact N-O 3.18Å; D254-F275 HydrophobicContact CB-CD1 3.89Å; D254-F275 HydrophobicContact CB-CE1 4.11Å |
| 255 | H | 88 | Confident | 87.1 | Confident | 76 Ų | 76 | 60 Ų | 60 | 35% | 0.352 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 6.3 | -174 | -51.6 | -80.5 | 0 | 0 | 0 | 113.1 | I241 S243 | I241-H255 PolarHBondContact O-CD2 3.35Å; I241-H255 PolarHBondContact O-N 3.4Å; S243-H255 WeakPolarHBondContact CB-NE2 3.18Å; S243-H255 PolarHBondContact N-NE2 3.07Å; S243-H255 PolarHBondContact OG-NE2 3.45Å |
| 256 | R | 84.1 | Confident | 87 | Confident | 42 Ų | 42 | 60.2 Ų | 60.2 | 16% | 0.158 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -46.8 | 173.2 | -55.4 | 167.2 | -68 | -179.2 | 5.5 | 110.2 | S112 I241 D254 W282 | S112-R256 VanDerWaalsContact O-CZ 3.24Å; S112-R256 PolarHBondContact O-NH1 3.46Å; S112-R256 PolarHBondContact O-NH2 3.09Å; I241-R256 HydrophobicContact CB-CG 4.5Å; I241-R256 HydrophobicContact CG2-CG 4.46Å; D254-R256 PolarHBondContact O-N 3.34Å; D254-R256 WeakPolarHBondContact OD1-CB 3.33Å; D254-R256 IonicContact OD1-CZ 2.64Å; D254-R256 PolarHBondContact OD1-N 3.13Å; D254-R256 VanDerWaalsContact OD1-N 3.12Å; D254-R256 IonicContact OD1-NE 3.68Å; D254-R256 PolarHBondContact OD1-NE 3.28Å; D254-R256 IonicContact OD1-NH2 2.7Å; D254-R256 IonicContact OD2-CZ 2.9Å; D254-R256 IonicContact OD2-NE 3.58Å; D254-R256 IonicContact OD2-NH2 2.93Å; D254-R256 PolarHBondContact OD2-NH2 3.09Å; R256-W282 HydrophobicContact CB-CD2 4.5Å; R256-W282 HydrophobicContact CB-CE3 4.41Å; R256-W282 HydrophobicContact CB-CH2 4.16Å; R256-W282 HydrophobicContact CB-CZ2 4.24Å; R256-W282 HydrophobicContact CB-CZ3 4.25Å; R256-W282 VanDerWaalsContact O-CE2 3.25Å; R256-W282 PolarHBondContact O-NE1 2.89Å |
| 257 | T | 83.2 | Confident | 87.2 | Confident | 26 Ų | 26 | 57.3 Ų | 57.3 | 16% | 0.16 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -11.7 | -173 | 71.8 | 0 | 0 | 0 | 0 | 113.2 | Y259 A278 Y279 W282 | T257-Y259 PolarHBondContact O-N 2.85Å; T257-Y259 VanDerWaalsContact O-N 3.11Å; T257-Y259 WeakPolarHBondContact OG1-CB 3.43Å; T257-Y259 PolarHBondContact OG1-N 2.84Å; T257-Y259 VanDerWaalsContact OG1-N 3.16Å; T257-A278 HydrophobicContact CG2-CB 4.44Å; T257-Y279 HydrophobicContact CG2-CD2 4.46Å; T257-W282 HydrophobicContact CG2-CB 3.83Å; T257-W282 HydrophobicContact CG2-CD2 4.43Å; T257-W282 HydrophobicContact CG2-CG 4.09Å |
| 258 | E | 79.9 | Confident | 87.8 | Confident | 113 Ų | 113 | 53.4 Ų | 53.4 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | trans | 60.4 | 0.8 | -167.6 | -72 | -65.8 | 107.5 | 0 | 0 | 115.8 | K253 D254 | K253-E258 VanDerWaalsContact CE-OE1 3.28Å; K253-E258 WeakPolarHBondContact CE-OE1 3.4Å; K253-E258 WeakPolarHBondContact CE-OE2 3.44Å; K253-E258 PolarHBondContact NZ-O 3.41Å; K253-E258 IonicContact NZ-OE1 3.6Å; K253-E258 IonicContact NZ-OE2 3.19Å; K253-E258 PolarHBondContact NZ-OE2 3.32Å; D254-E258 VanDerWaalsContact O-CA 3.29Å; D254-E258 WeakPolarHBondContact O-CA 3.33Å; D254-E258 PolarHBondContact O-N 3.06Å | ||
| 259 | Y | 88.8 | Confident | 88.8 | Confident | 88 Ų | 88 | 52.1 Ų | 52.1 | 35% | 0.345 | 27% | 0.269 | S | S | . | . | trans | -63.9 | 134.1 | 177.1 | -177 | -89.5 | 0 | 0 | 0 | 111.6 | K253 D254 T257 P274 F275 A278 | K253-Y259 WeakPolarHBondContact CA-O 3.38Å; D254-Y259 PolarHBondContact N-O 3.18Å; T257-Y259 PolarHBondContact O-N 2.85Å; T257-Y259 VanDerWaalsContact O-N 3.11Å; T257-Y259 WeakPolarHBondContact OG1-CB 3.43Å; T257-Y259 PolarHBondContact OG1-N 2.84Å; T257-Y259 VanDerWaalsContact OG1-N 3.16Å; Y259-P274 HydrophobicContact CE1-CB 3.82Å; Y259-P274 HydrophobicContact CE2-CB 4.41Å; Y259-P274 VanDerWaalsContact OH-CB 3.26Å; Y259-P274 WeakPolarHBondContact OH-CB 3.18Å; Y259-F275 AromaticContact CD1-CD1 3.7Å; Y259-F275 HydrophobicContact CD1-CD1 3.7Å; Y259-F275 AromaticContact CD1-CE1 3.61Å; Y259-F275 HydrophobicContact CD1-CE1 3.61Å; Y259-F275 HydrophobicContact CD1-CE2 4.48Å; Y259-F275 HydrophobicContact CD1-CG 4.19Å; Y259-F275 HydrophobicContact CD1-CZ 4.01Å; Y259-F275 HydrophobicContact CE1-CD1 4.33Å; Y259-F275 HydrophobicContact CE1-CD2 4.42Å; Y259-F275 HydrophobicContact CE1-CE1 4.18Å; Y259-F275 HydrophobicContact CE1-CE2 4.25Å; Y259-F275 HydrophobicContact CE1-CG 4.45Å; Y259-F275 HydrophobicContact CE1-CZ 4.12Å; Y259-A278 HydrophobicContact CD2-CB 4.24Å; Y259-A278 HydrophobicContact CG-CB 4.02Å | ||
| 260 | E | 90.4 | Very high | 89 | Confident | 92 Ų | 92 | 45.8 Ų | 45.8 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 148.7 | -179.4 | 59.9 | -175.3 | -113.4 | 0 | 0 | 112.9 | M251 V252 K253 | M251-E260 VanDerWaalsContact CE-OE1 3.26Å; M251-E260 WeakPolarHBondContact CE-OE1 3.43Å; M251-E260 HydrophobicContact CG-CB 4.46Å; V252-E260 CarbonylContact O-C 3.15Å; V252-E260 WeakPolarHBondContact O-CA 3.15Å; K253-E260 HydrophobicContact CB-CB 3.81Å; K253-E260 HydrophobicContact CD-CB 4.4Å; K253-E260 WeakPolarHBondContact CD-OE2 3.3Å; K253-E260 HydrophobicContact CG-CB 3.94Å; K253-E260 IonicContact NZ-OE2 3.04Å; K253-E260 PolarHBondContact NZ-OE2 2.64Å |
| 261 | T | 91.1 | Very high | 89.2 | Confident | 34 Ų | 34 | 45.7 Ų | 45.7 | 21% | 0.209 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 142.2 | 173.7 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | M251 V252 N263 V267 F275 | M251-T261 CarbonylContact C-O 3.45Å; M251-T261 WeakPolarHBondContact CA-O 3.37Å; V252-T261 HydrophobicContact CB-CG2 4.38Å; V252-T261 PolarHBondContact N-O 3.47Å; V252-T261 PolarHBondContact O-N 2.97Å; T261-N263 PolarHBondContact OG1-N 2.87Å; T261-V267 HydrophobicContact CG2-CG2 3.67Å; T261-F275 HydrophobicContact CG2-CE2 3.88Å; T261-F275 HydrophobicContact CG2-CZ 3.91Å |
| 262 | G | 85.8 | Confident | 89.1 | Confident | 51 Ų | 51 | 43.2 Ų | 43.2 | 53% | 0.526 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -78 | -18 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S250 V264 | S250-G262 WeakPolarHBondContact O-CA 3.37Å; G262-V264 PolarHBondContact O-N 2.95Å |
| 263 | N | 87.9 | Confident | 88.7 | Confident | 91 Ų | 91 | 45.9 Ų | 45.9 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | trans | -84.4 | 62.3 | -175.4 | -167 | 2.7 | 0 | 0 | 0 | 112.3 | T261 Q265 A266 V267 | T261-N263 PolarHBondContact OG1-N 2.87Å; N263-Q265 PolarHBondContact O-N 2.71Å; N263-Q265 VanDerWaalsContact O-N 3.1Å; N263-A266 HydrophobicContact CB-CB 4.44Å; N263-A266 VanDerWaalsContact ND2-CB 3.35Å; N263-A266 WeakPolarHBondContact ND2-CB 3.38Å; N263-A266 PolarHBondContact O-N 2.89Å; N263-A266 PolarHBondContact OD1-N 2.94Å; N263-V267 PolarHBondContact O-N 3.08Å | ||
| 264 | V | 88.4 | Confident | 88.4 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -52 | -35.5 | -179.5 | -178 | 0 | 0 | 0 | 0 | 112.3 | V245 F246 V252 G262 V267 M268 | V245-V264 WeakPolarHBondContact O-CG2 3.28Å; F246-V264 HydrophobicContact CD1-CG1 4.14Å; F246-V264 HydrophobicContact CD2-CG1 4.11Å; F246-V264 HydrophobicContact CE1-CG1 3.77Å; F246-V264 HydrophobicContact CE2-CG1 3.71Å; F246-V264 HydrophobicContact CG-CG1 4.32Å; F246-V264 HydrophobicContact CZ-CG1 3.55Å; V252-V264 HydrophobicContact CG2-CB 4.17Å; V252-V264 HydrophobicContact CG2-CG1 4.01Å; V252-V264 HydrophobicContact CG2-CG2 3.92Å; G262-V264 PolarHBondContact O-N 2.95Å; V264-V267 PolarHBondContact O-N 2.8Å; V264-M268 HydrophobicContact CG1-CG 4.23Å; V264-M268 VanDerWaalsContact O-CG 3.3Å; V264-M268 WeakPolarHBondContact O-CG 3.33Å; V264-M268 PolarHBondContact O-N 2.88Å |
| 265 | Q | 88.4 | Confident | 88.3 | Confident | 102 Ų | 102 | 46.4 Ų | 46.4 | 48% | 0.477 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.3 | -43.9 | -176.6 | -174.5 | 57 | 39.9 | 0 | 0 | 112.2 | N263 V267 M268 D269 | N263-Q265 PolarHBondContact O-N 2.71Å; N263-Q265 VanDerWaalsContact O-N 3.1Å; Q265-V267 VanDerWaalsContact C-N 3.34Å; Q265-V267 PolarHBondContact O-N 2.96Å; Q265-M268 CarbonylContact O-C 3.4Å; Q265-M268 PolarHBondContact O-N 2.92Å; Q265-D269 PolarHBondContact NE2-OD1 3.23Å; Q265-D269 VanDerWaalsContact NE2-OD1 3.13Å; Q265-D269 PolarHBondContact NE2-OD2 2.82Å; Q265-D269 WeakPolarHBondContact O-CB 3.49Å; Q265-D269 PolarHBondContact O-N 2.98Å |
| 266 | A | 88.9 | Confident | 88.3 | Confident | 24 Ų | 24 | 42.9 Ų | 42.9 | 20% | 0.198 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N263 M268 D269 G270 D271 | N263-A266 HydrophobicContact CB-CB 4.44Å; N263-A266 VanDerWaalsContact ND2-CB 3.35Å; N263-A266 WeakPolarHBondContact ND2-CB 3.38Å; N263-A266 PolarHBondContact O-N 2.89Å; N263-A266 PolarHBondContact OD1-N 2.94Å; A266-M268 VanDerWaalsContact C-N 3.28Å; A266-M268 PolarHBondContact O-N 3.02Å; A266-D269 CarbonylContact O-C 3.58Å; A266-D269 WeakPolarHBondContact O-CA 3.34Å; A266-D269 PolarHBondContact O-N 3.01Å; A266-G270 PolarHBondContact O-N 3.42Å; A266-D271 VanDerWaalsContact C-CB 3.5Å; A266-D271 HydrophobicContact CB-CB 3.88Å; A266-D271 WeakPolarHBondContact O-CB 3.47Å; A266-D271 PolarHBondContact O-N 3.13Å |
| 267 | V | 92.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.1 | -43.6 | 176.5 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | M69 Y244 V252 T261 N263 V264 Q265 D269 G270 D271 L272 F275 | M69-V267 VanDerWaalsContact CG-O 3.28Å; M69-V267 WeakPolarHBondContact CG-O 3.42Å; Y244-V267 HydrophobicContact CE1-CG1 3.89Å; V252-V267 HydrophobicContact CG1-CG1 4.45Å; V252-V267 HydrophobicContact CG2-CB 4.22Å; V252-V267 HydrophobicContact CG2-CG1 4.28Å; V252-V267 HydrophobicContact CG2-CG2 4.15Å; T261-V267 HydrophobicContact CG2-CG2 3.67Å; N263-V267 PolarHBondContact O-N 3.08Å; V264-V267 PolarHBondContact O-N 2.8Å; Q265-V267 VanDerWaalsContact C-N 3.34Å; Q265-V267 PolarHBondContact O-N 2.96Å; V267-D269 VanDerWaalsContact C-N 3.26Å; V267-D269 PolarHBondContact O-N 3.26Å; V267-G270 PolarHBondContact O-N 3.48Å; V267-D271 WeakPolarHBondContact CA-O 3.29Å; V267-L272 HydrophobicContact CG1-CD2 3.82Å; V267-F275 HydrophobicContact CG1-CE2 4.11Å; V267-F275 HydrophobicContact CG2-CE2 3.95Å |
| 268 | M | 91.2 | Very high | 88 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -76 | -6.9 | 177.3 | -65.1 | -56.4 | -38.5 | 0 | 0 | 115.2 | W62 M65 R68 M69 Y244 F246 V264 Q265 A266 | W62-M268 HydrophobicContact CH2-CE 4.35Å; W62-M268 HydrophobicContact CH2-SD 3.93Å; W62-M268 HydrophobicContact CZ3-CE 3.81Å; W62-M268 HydrophobicContact CZ3-SD 3.78Å; M65-M268 HydrophobicContact CB-CE 3.85Å; M65-M268 HydrophobicContact CE-CE 4.04Å; R68-M268 PolarHBondContact NH2-O 2.93Å; M69-M268 HydrophobicContact CB-CE 4.14Å; M69-M268 HydrophobicContact CG-CE 4.44Å; M69-M268 HydrophobicContact SD-CE 4.12Å; M69-M268 HydrophobicContact SD-SD 4.01Å; Y244-M268 HydrophobicContact CD1-SD 3.82Å; Y244-M268 HydrophobicContact CE1-SD 4.03Å; F246-M268 HydrophobicContact CZ-CG 3.9Å; F246-M268 HydrophobicContact CZ-SD 4.44Å; V264-M268 HydrophobicContact CG1-CG 4.23Å; V264-M268 VanDerWaalsContact O-CG 3.3Å; V264-M268 WeakPolarHBondContact O-CG 3.33Å; V264-M268 PolarHBondContact O-N 2.88Å; Q265-M268 CarbonylContact O-C 3.4Å; Q265-M268 PolarHBondContact O-N 2.92Å; A266-M268 VanDerWaalsContact C-N 3.28Å; A266-M268 PolarHBondContact O-N 3.02Å |
| 269 | D | 90.5 | Very high | 88.2 | Confident | 58 Ų | 58 | 38.3 Ų | 38.3 | 31% | 0.31 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -103.6 | -5.4 | 172.6 | -69.4 | -29.9 | 0 | 0 | 0 | 112.7 | R68 R72 Q76 Q265 A266 V267 | R68-D269 IonicContact NH2-OD1 3.17Å; R72-D269 IonicContact CZ-OD1 2.72Å; R72-D269 IonicContact NH1-OD1 2.77Å; R72-D269 PolarHBondContact NH1-OD1 2.82Å; R72-D269 IonicContact NH2-OD1 3.87Å; Q76-D269 PolarHBondContact NE2-O 3.46Å; Q265-D269 PolarHBondContact NE2-OD1 3.23Å; Q265-D269 VanDerWaalsContact NE2-OD1 3.13Å; Q265-D269 PolarHBondContact NE2-OD2 2.82Å; Q265-D269 WeakPolarHBondContact O-CB 3.49Å; Q265-D269 PolarHBondContact O-N 2.98Å; A266-D269 CarbonylContact O-C 3.58Å; A266-D269 WeakPolarHBondContact O-CA 3.34Å; A266-D269 PolarHBondContact O-N 3.01Å; V267-D269 VanDerWaalsContact C-N 3.26Å; V267-D269 PolarHBondContact O-N 3.26Å |
| 270 | G | 89 | Confident | 87.6 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 135.6 | -8.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | A266 V267 L272 | A266-G270 PolarHBondContact O-N 3.42Å; V267-G270 PolarHBondContact O-N 3.48Å; G270-L272 VanDerWaalsContact C-N 3.34Å; G270-L272 PolarHBondContact O-N 2.92Å |
| 271 | D | 90.5 | Very high | 86.7 | Confident | 69 Ų | 69 | 33.8 Ų | 33.8 | 37% | 0.369 | 19% | 0.194 | S | C | . | . | trans | -72.1 | 80 | -174.7 | -172.8 | 16.1 | 0 | 0 | 0 | 112.5 | A266 V267 P274 | A266-D271 VanDerWaalsContact C-CB 3.5Å; A266-D271 HydrophobicContact CB-CB 3.88Å; A266-D271 WeakPolarHBondContact O-CB 3.47Å; A266-D271 PolarHBondContact O-N 3.13Å; V267-D271 WeakPolarHBondContact CA-O 3.29Å; D271-P274 WeakPolarHBondContact OD1-CD 3.33Å | ||
| 272 | L | 91.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -106.3 | -21 | -177.9 | -61.1 | -180 | 0 | 0 | 0 | 113.6 | M69 Y70 W73 V267 G270 P274 F275 I276 | M69-L272 HydrophobicContact CE-CD1 4.14Å; M69-L272 HydrophobicContact CE-CD2 3.9Å; M69-L272 HydrophobicContact CG-CD1 4.44Å; M69-L272 HydrophobicContact CG-CD2 4.24Å; M69-L272 HydrophobicContact SD-CD2 3.91Å; Y70-L272 HydrophobicContact CD1-CD1 3.74Å; Y70-L272 HydrophobicContact CE1-CD1 3.63Å; W73-L272 HydrophobicContact CB-CD1 3.88Å; W73-L272 HydrophobicContact CB-CG 4.39Å; W73-L272 HydrophobicContact CD2-CD1 4.38Å; W73-L272 HydrophobicContact CG-CB 4.25Å; W73-L272 HydrophobicContact CG-CD1 3.83Å; W73-L272 HydrophobicContact CG-CG 4.27Å; V267-L272 HydrophobicContact CG1-CD2 3.82Å; G270-L272 VanDerWaalsContact C-N 3.34Å; G270-L272 PolarHBondContact O-N 2.92Å; L272-P274 VanDerWaalsContact C-CD 3.41Å; L272-P274 VanDerWaalsContact C-N 3.33Å; L272-F275 WeakPolarHBondContact O-CA 3.23Å; L272-F275 WeakPolarHBondContact O-CB 3.35Å; L272-F275 PolarHBondContact O-N 3.19Å; L272-I276 HydrophobicContact CB-CD1 4.01Å; L272-I276 HydrophobicContact CB-CG1 4.41Å; L272-I276 WeakPolarHBondContact O-CG1 3.35Å; L272-I276 PolarHBondContact O-N 3.43Å; L272-I276 VanDerWaalsContact O-N 3.09Å | ||
| 273 | D | 87.1 | Confident | 84.8 | Confident | 56 Ų | 56 | 38.8 Ų | 38.8 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -54.4 | -39.1 | -171.6 | -57.7 | -26.9 | 0 | 0 | 0 | 114.2 | W73 H77 F275 I276 D277 | W73-D273 PolarHBondContact NE1-OD1 2.85Å; H77-D273 IonicContact CE1-OD1 3.26Å; H77-D273 PolarHBondContact CE1-OD1 3.34Å; H77-D273 IonicContact CE1-OD2 3.76Å; H77-D273 PolarHBondContact CE1-OD2 3.39Å; H77-D273 VanDerWaalsContact CE1-OD2 3.32Å; H77-D273 IonicContact NE2-OD1 2.67Å; H77-D273 IonicContact NE2-OD2 2.76Å; D273-F275 VanDerWaalsContact C-N 3.26Å; D273-F275 PolarHBondContact O-N 2.93Å; D273-I276 PolarHBondContact O-N 2.97Å; D273-I276 VanDerWaalsContact O-N 3.15Å; D273-D277 WeakPolarHBondContact O-CB 3.38Å; D273-D277 PolarHBondContact O-N 3.32Å |
| 274 | P | 85.7 | Confident | 83.4 | Confident | 42 Ų | 42 | 37.2 Ų | 37.2 | 27% | 0.273 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.2 | -31.4 | 175.3 | -23.2 | 34.8 | 0 | 0 | 0 | 113.6 | Y259 D271 L272 A278 | Y259-P274 HydrophobicContact CE1-CB 3.82Å; Y259-P274 HydrophobicContact CE2-CB 4.41Å; Y259-P274 VanDerWaalsContact OH-CB 3.26Å; Y259-P274 WeakPolarHBondContact OH-CB 3.18Å; D271-P274 WeakPolarHBondContact OD1-CD 3.33Å; L272-P274 VanDerWaalsContact C-CD 3.41Å; L272-P274 VanDerWaalsContact C-N 3.33Å; P274-A278 WeakPolarHBondContact O-CB 3.47Å; P274-A278 PolarHBondContact O-N 3.37Å |
| 275 | F | 91.1 | Very high | 81.7 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -75.6 | -37.8 | 173.9 | -72.1 | -80 | 0 | 0 | 0 | 112.3 | V252 D254 Y259 T261 V267 L272 D273 Y279 | V252-F275 HydrophobicContact CB-CE2 4.33Å; V252-F275 HydrophobicContact CB-CZ 3.77Å; V252-F275 HydrophobicContact CG1-CE1 4.14Å; V252-F275 HydrophobicContact CG1-CE2 4.07Å; V252-F275 HydrophobicContact CG1-CZ 3.52Å; D254-F275 HydrophobicContact CB-CD1 3.89Å; D254-F275 HydrophobicContact CB-CE1 4.11Å; Y259-F275 AromaticContact CD1-CD1 3.7Å; Y259-F275 HydrophobicContact CD1-CD1 3.7Å; Y259-F275 AromaticContact CD1-CE1 3.61Å; Y259-F275 HydrophobicContact CD1-CE1 3.61Å; Y259-F275 HydrophobicContact CD1-CE2 4.48Å; Y259-F275 HydrophobicContact CD1-CG 4.19Å; Y259-F275 HydrophobicContact CD1-CZ 4.01Å; Y259-F275 HydrophobicContact CE1-CD1 4.33Å; Y259-F275 HydrophobicContact CE1-CD2 4.42Å; Y259-F275 HydrophobicContact CE1-CE1 4.18Å; Y259-F275 HydrophobicContact CE1-CE2 4.25Å; Y259-F275 HydrophobicContact CE1-CG 4.45Å; Y259-F275 HydrophobicContact CE1-CZ 4.12Å; T261-F275 HydrophobicContact CG2-CE2 3.88Å; T261-F275 HydrophobicContact CG2-CZ 3.91Å; V267-F275 HydrophobicContact CG1-CE2 4.11Å; V267-F275 HydrophobicContact CG2-CE2 3.95Å; L272-F275 WeakPolarHBondContact O-CA 3.23Å; L272-F275 WeakPolarHBondContact O-CB 3.35Å; L272-F275 PolarHBondContact O-N 3.19Å; D273-F275 VanDerWaalsContact C-N 3.26Å; D273-F275 PolarHBondContact O-N 2.93Å; F275-Y279 WeakPolarHBondContact O-CB 3.47Å; F275-Y279 PolarHBondContact O-N 2.73Å |
| 276 | I | 88.1 | Confident | 80.3 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.3 | -49.1 | 178.7 | -59.6 | 171.6 | 0 | 0 | 0 | 109.4 | W73 Y109 L272 D273 Y279 L280 | W73-I276 HydrophobicContact CH2-CD1 4.47Å; W73-I276 HydrophobicContact CZ2-CD1 3.57Å; Y109-I276 HydrophobicContact CD1-CG2 4.09Å; L272-I276 HydrophobicContact CB-CD1 4.01Å; L272-I276 HydrophobicContact CB-CG1 4.41Å; L272-I276 WeakPolarHBondContact O-CG1 3.35Å; L272-I276 PolarHBondContact O-N 3.43Å; L272-I276 VanDerWaalsContact O-N 3.09Å; D273-I276 PolarHBondContact O-N 2.97Å; D273-I276 VanDerWaalsContact O-N 3.15Å; I276-Y279 PolarHBondContact O-N 2.76Å; I276-L280 HydrophobicContact CG2-CD1 3.94Å; I276-L280 VanDerWaalsContact O-CG 3.28Å; I276-L280 WeakPolarHBondContact O-CG 3.32Å; I276-L280 PolarHBondContact O-N 2.87Å |
| 277 | D | 80.9 | Confident | 78.6 | Confident | 40 Ų | 40 | 40.6 Ų | 40.6 | 21% | 0.214 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.5 | -50.7 | 174.6 | -179 | 48.2 | 0 | 0 | 0 | 111.7 | L33 D273 Y279 L280 K281 | L33-D277 HydrophobicContact CD1-CB 3.93Å; D273-D277 WeakPolarHBondContact O-CB 3.38Å; D273-D277 PolarHBondContact O-N 3.32Å; D277-Y279 PolarHBondContact O-N 2.95Å; D277-L280 PolarHBondContact O-N 3.28Å; D277-L280 VanDerWaalsContact O-N 3.16Å; D277-K281 WeakPolarHBondContact O-CB 3.42Å; D277-K281 PolarHBondContact O-N 3.36Å; D277-K281 VanDerWaalsContact OD1-CD 3.31Å; D277-K281 WeakPolarHBondContact OD1-CD 3.38Å; D277-K281 WeakPolarHBondContact OD1-CE 3.19Å; D277-K281 IonicContact OD1-NZ 3.76Å; D277-K281 PolarHBondContact OD1-NZ 2.99Å; D277-K281 IonicContact OD2-NZ 2.89Å; D277-K281 PolarHBondContact OD2-NZ 2.96Å |
| 278 | A | 80.7 | Confident | 77.8 | Confident | 18 Ų | 18 | 40.6 Ų | 40.6 | 15% | 0.149 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.3 | -35.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T257 Y259 P274 W282 | T257-A278 HydrophobicContact CG2-CB 4.44Å; Y259-A278 HydrophobicContact CD2-CB 4.24Å; Y259-A278 HydrophobicContact CG-CB 4.02Å; P274-A278 WeakPolarHBondContact O-CB 3.47Å; P274-A278 PolarHBondContact O-N 3.37Å; A278-W282 WeakPolarHBondContact O-CB 3.38Å; A278-W282 PolarHBondContact O-N 3.41Å |
| 279 | Y | 83.4 | Confident | 77.5 | Confident | 28 Ų | 28 | 40.5 Ų | 40.5 | 11% | 0.11 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.3 | -42.5 | 175.8 | 173.7 | -91.9 | 0 | 0 | 0 | 112.7 | T257 F275 I276 D277 W282 R283 | T257-Y279 HydrophobicContact CG2-CD2 4.46Å; F275-Y279 WeakPolarHBondContact O-CB 3.47Å; F275-Y279 PolarHBondContact O-N 2.73Å; I276-Y279 PolarHBondContact O-N 2.76Å; D277-Y279 PolarHBondContact O-N 2.95Å; Y279-W282 AromaticContact CD2-CE3 3.98Å; Y279-W282 HydrophobicContact CD2-CE3 3.98Å; Y279-W282 HydrophobicContact CD2-CZ3 4.19Å; Y279-W282 HydrophobicContact CE2-CE3 4.05Å; Y279-W282 AromaticContact CE2-CZ3 3.8Å; Y279-W282 HydrophobicContact CE2-CZ3 3.8Å; Y279-W282 PolarHBondContact O-N 3.16Å; Y279-R283 WeakPolarHBondContact O-CB 3.35Å; Y279-R283 PolarHBondContact O-N 3.15Å |
| 280 | L | 76.4 | Confident | 77.3 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -42 | 177.8 | -67.8 | 168.6 | 0 | 0 | 0 | 110.7 | L33 L36 L37 K111 I276 D277 R283 L284 | L33-L280 HydrophobicContact CD1-CD1 3.7Å; L36-L280 HydrophobicContact CB-CB 4.05Å; L36-L280 HydrophobicContact CB-CD1 4.21Å; L36-L280 HydrophobicContact CB-CG 4.48Å; L36-L280 HydrophobicContact CD1-CB 3.55Å; L36-L280 HydrophobicContact CG-CB 4.44Å; L37-L280 HydrophobicContact CD2-CD1 4.01Å; K111-L280 VanDerWaalsContact CE-CD2 3.49Å; I276-L280 HydrophobicContact CG2-CD1 3.94Å; I276-L280 VanDerWaalsContact O-CG 3.28Å; I276-L280 WeakPolarHBondContact O-CG 3.32Å; I276-L280 PolarHBondContact O-N 2.87Å; D277-L280 PolarHBondContact O-N 3.28Å; D277-L280 VanDerWaalsContact O-N 3.16Å; L280-R283 PolarHBondContact O-N 3Å; L280-L284 PolarHBondContact O-N 3.44Å; L280-L284 VanDerWaalsContact O-N 3.07Å |
| 281 | K | 71.1 | Confident | 77.2 | Confident | 76 Ų | 76 | 38.9 Ų | 38.9 | 33% | 0.33 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.4 | -45.1 | 173.8 | -73.8 | 172.5 | 174.6 | 155.2 | 0 | 112.9 | L36 D277 R283 L284 A285 | L36-K281 HydrophobicContact CD1-CG 4.13Å; D277-K281 WeakPolarHBondContact O-CB 3.42Å; D277-K281 PolarHBondContact O-N 3.36Å; D277-K281 VanDerWaalsContact OD1-CD 3.31Å; D277-K281 WeakPolarHBondContact OD1-CD 3.38Å; D277-K281 WeakPolarHBondContact OD1-CE 3.19Å; D277-K281 IonicContact OD1-NZ 3.76Å; D277-K281 PolarHBondContact OD1-NZ 2.99Å; D277-K281 IonicContact OD2-NZ 2.89Å; D277-K281 PolarHBondContact OD2-NZ 2.96Å; K281-R283 VanDerWaalsContact C-N 3.3Å; K281-R283 PolarHBondContact O-N 3.31Å; K281-L284 VanDerWaalsContact O-CB 3.24Å; K281-L284 WeakPolarHBondContact O-CB 3.42Å; K281-L284 PolarHBondContact O-N 3.47Å; K281-L284 VanDerWaalsContact O-N 3.12Å; K281-A285 PolarHBondContact O-N 3.17Å |
| 282 | W | 72.5 | Confident | 76.8 | Confident | 95 Ų | 95 | 38.5 Ų | 38.5 | 36% | 0.36 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.3 | -39 | 173.9 | 168.9 | 79.8 | 0 | 0 | 0 | 112.8 | R256 T257 A278 Y279 L284 A285 | R256-W282 HydrophobicContact CB-CD2 4.5Å; R256-W282 HydrophobicContact CB-CE3 4.41Å; R256-W282 HydrophobicContact CB-CH2 4.16Å; R256-W282 HydrophobicContact CB-CZ2 4.24Å; R256-W282 HydrophobicContact CB-CZ3 4.25Å; R256-W282 VanDerWaalsContact O-CE2 3.25Å; R256-W282 PolarHBondContact O-NE1 2.89Å; T257-W282 HydrophobicContact CG2-CB 3.83Å; T257-W282 HydrophobicContact CG2-CD2 4.43Å; T257-W282 HydrophobicContact CG2-CG 4.09Å; A278-W282 WeakPolarHBondContact O-CB 3.38Å; A278-W282 PolarHBondContact O-N 3.41Å; Y279-W282 AromaticContact CD2-CE3 3.98Å; Y279-W282 HydrophobicContact CD2-CE3 3.98Å; Y279-W282 HydrophobicContact CD2-CZ3 4.19Å; Y279-W282 HydrophobicContact CE2-CE3 4.05Å; Y279-W282 AromaticContact CE2-CZ3 3.8Å; Y279-W282 HydrophobicContact CE2-CZ3 3.8Å; Y279-W282 PolarHBondContact O-N 3.16Å; W282-L284 VanDerWaalsContact C-N 3.3Å; W282-A285 PolarHBondContact O-N 3.02Å |
| 283 | R | 66 | Low | 76.4 | Confident | 94 Ų | 94 | 43.6 Ų | 43.6 | 36% | 0.355 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.3 | -24.2 | 177.5 | -176.2 | 174 | 173.3 | -178.8 | -6.3 | 112.9 | Y279 L280 K281 | Y279-R283 WeakPolarHBondContact O-CB 3.35Å; Y279-R283 PolarHBondContact O-N 3.15Å; L280-R283 PolarHBondContact O-N 3Å; K281-R283 VanDerWaalsContact C-N 3.3Å; K281-R283 PolarHBondContact O-N 3.31Å |
| 284 | L | 56.5 | Low | 76.3 | Confident | 58 Ų | 58 | 40.9 Ų | 40.9 | 30% | 0.304 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.1 | -43.7 | 168.9 | -117.4 | 177.1 | 0 | 0 | 0 | 111.2 | L36 L280 K281 W282 Q286 Q314 | L36-L284 HydrophobicContact CD2-CD1 3.42Å; L36-L284 VanDerWaalsContact CD2-CD1 3.42Å; L36-L284 HydrophobicContact CD2-CG 4.48Å; L280-L284 PolarHBondContact O-N 3.44Å; L280-L284 VanDerWaalsContact O-N 3.07Å; K281-L284 VanDerWaalsContact O-CB 3.24Å; K281-L284 WeakPolarHBondContact O-CB 3.42Å; K281-L284 PolarHBondContact O-N 3.47Å; K281-L284 VanDerWaalsContact O-N 3.12Å; W282-L284 VanDerWaalsContact C-N 3.3Å; L284-Q286 PolarHBondContact O-N 2.97Å; L284-Q314 HydrophobicContact CD2-CB 3.9Å; L284-Q314 VanDerWaalsContact CD2-CD 3.5Å; L284-Q314 HydrophobicContact CD2-CG 3.58Å; L284-Q314 WeakPolarHBondContact O-CB 3.49Å |
| 285 | A | 53.4 | Low | 76.5 | Confident | 77 Ų | 77 | 40.3 Ų | 40.3 | 64% | 0.636 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -73.1 | 35.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K281 W282 | K281-A285 PolarHBondContact O-N 3.17Å; W282-A285 PolarHBondContact O-N 3.02Å |
| 286 | Q | 59.1 | Low | 76.4 | Confident | 73 Ų | 73 | 41 Ų | 41 | 34% | 0.341 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -106.8 | 125.1 | 172.2 | -64.3 | -175.2 | -6.2 | 0 | 0 | 109.1 | L284 M288 | L284-Q286 PolarHBondContact O-N 2.97Å; Q286-M288 PolarHBondContact O-N 2.87Å |
| 287 | D | 54.4 | Low | 76.4 | Confident | 52 Ų | 52 | 45.7 Ų | 45.7 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | trans | -42.2 | 122.1 | -177.4 | -54.4 | 55.2 | 0 | 0 | 0 | 111.8 | R311 | D287-R311 IonicContact OD1-NH1 2.82Å; D287-R311 WeakPolarHBondContact OD2-CD 3.4Å; D287-R311 WeakPolarHBondContact OD2-CG 3.24Å; D287-R311 IonicContact OD2-CZ 3.18Å; D287-R311 IonicContact OD2-NE 2.78Å; D287-R311 PolarHBondContact OD2-NE 3.11Å; D287-R311 IonicContact OD2-NH1 3.99Å; D287-R311 PolarHBondContact OD2-NH1 3.08Å; D287-R311 IonicContact OD2-NH2 2.68Å | ||
| 288 | M | 74.8 | Confident | 76.3 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -86.6 | -28.3 | -178.2 | -177.8 | 61.2 | 68.8 | 0 | 0 | 112.2 | Q286 I312 Q314 A350 K445 V446 T477 | Q286-M288 PolarHBondContact O-N 2.87Å; M288-I312 PolarHBondContact N-O 3.07Å; M288-Q314 HydrophobicContact CB-CB 4.32Å; M288-Q314 HydrophobicContact CE-CB 3.7Å; M288-Q314 VanDerWaalsContact CE-CD 3.44Å; M288-Q314 HydrophobicContact CE-CG 3.47Å; M288-Q314 VanDerWaalsContact CE-CG 3.47Å; M288-Q314 VanDerWaalsContact CE-OE1 3.29Å; M288-A350 PolarHBondContact O-N 2.98Å; M288-A350 HydrophobicContact SD-CB 4.39Å; M288-K445 HydrophobicContact CE-CB 3.87Å; M288-K445 HydrophobicContact SD-CB 3.78Å; M288-K445 HydrophobicContact SD-CD 4.35Å; M288-V446 HydrophobicContact CG-CG2 3.41Å; M288-V446 VanDerWaalsContact CG-CG2 3.41Å; M288-V446 HydrophobicContact SD-CG2 3.84Å; M288-T477 HydrophobicContact CG-CG2 4.33Å |
| 289 | I | 85.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 117.3 | 175.5 | -56 | 177.8 | 0 | 0 | 0 | 107.8 | R311 I312 M335 D348 V349 V446 V479 | I289-R311 WeakPolarHBondContact O-CA 3.28Å; I289-I312 HydrophobicContact CB-CB 4.15Å; I289-I312 HydrophobicContact CD1-CB 4.43Å; I289-I312 HydrophobicContact CD1-CD1 4.35Å; I289-I312 PolarHBondContact N-O 3.19Å; I289-I312 PolarHBondContact O-N 3.26Å; I289-M335 HydrophobicContact CD1-SD 4.31Å; I289-M335 HydrophobicContact CG2-CE 4.42Å; I289-D348 WeakPolarHBondContact CA-O 3.29Å; I289-V349 HydrophobicContact CG1-CG1 4.42Å; I289-V349 HydrophobicContact CG2-CG2 4.3Å; I289-V446 HydrophobicContact CD1-CG1 3.98Å; I289-V446 HydrophobicContact CD1-CG2 4.43Å; I289-V446 HydrophobicContact CG1-CG2 4.37Å; I289-V479 HydrophobicContact CD1-CG2 3.81Å |
| 290 | E | 85.1 | Confident | 75.3 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 11% | 0.107 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123.7 | 169 | -178.8 | 171.8 | -146.5 | 0 | 0 | 111.9 | Q292 R311 L347 D348 | E290-Q292 HydrophobicContact CG-CG 4.25Å; E290-Q292 PolarHBondContact OE1-NE2 2.9Å; E290-R311 HydrophobicContact CB-CG 4.39Å; E290-R311 HydrophobicContact CG-CG 4.06Å; E290-R311 IonicContact OE1-CZ 3.54Å; E290-R311 IonicContact OE1-NE 3.06Å; E290-R311 PolarHBondContact OE1-NE 3.12Å; E290-R311 IonicContact OE1-NH2 3.95Å; E290-R311 PolarHBondContact OE1-NH2 3.16Å; E290-R311 IonicContact OE2-NH2 3.78Å; E290-L347 HydrophobicContact CB-CB 4.36Å; E290-L347 HydrophobicContact CG-CB 4.28Å; E290-L347 HydrophobicContact CG-CD1 4.42Å; E290-L347 PolarHBondContact O-N 3.41Å; E290-L347 VanDerWaalsContact OE2-CD1 3.26Å; E290-L347 WeakPolarHBondContact OE2-CD1 3.49Å; E290-D348 PolarHBondContact N-O 2.92Å; E290-D348 PolarHBondContact O-N 2.94Å |
| 291 | M | 87.3 | Confident | 75.1 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 137.9 | 168.6 | -60.9 | -160.3 | -173.9 | 0 | 0 | 110.9 | V294 S309 V310 F331 L334 M335 V346 | M291-V294 HydrophobicContact CB-CB 4.45Å; M291-V294 HydrophobicContact CB-CG2 3.72Å; M291-V294 HydrophobicContact CG-CG2 4.21Å; M291-V294 HydrophobicContact SD-CB 4.37Å; M291-V294 HydrophobicContact SD-CG1 4.34Å; M291-V294 HydrophobicContact SD-CG2 4.23Å; M291-S309 CarbonylContact O-C 3.15Å; M291-S309 VanDerWaalsContact O-CA 3.24Å; M291-S309 WeakPolarHBondContact O-CA 3.36Å; M291-V310 HydrophobicContact CB-CG1 3.91Å; M291-V310 HydrophobicContact CG-CG1 4.17Å; M291-V310 PolarHBondContact N-O 3.47Å; M291-V310 PolarHBondContact O-N 2.86Å; M291-F331 HydrophobicContact SD-CD2 4.45Å; M291-F331 HydrophobicContact SD-CE2 4.12Å; M291-L334 HydrophobicContact CE-CB 4.47Å; M291-M335 HydrophobicContact CE-CB 4.47Å; M291-M335 HydrophobicContact CE-CE 4.08Å; M291-M335 HydrophobicContact CE-CG 3.43Å; M291-M335 VanDerWaalsContact CE-CG 3.43Å; M291-V346 HydrophobicContact CE-CG2 4.4Å; M291-V346 HydrophobicContact CG-CG1 4.24Å; M291-V346 HydrophobicContact CG-CG2 4.13Å; M291-V346 HydrophobicContact SD-CG2 4.17Å |
| 292 | Q | 81.7 | Confident | 74.9 | Confident | 61 Ų | 61 | 62.1 Ų | 62.1 | 29% | 0.285 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 119.7 | 175.5 | -60.5 | -179 | -6.7 | 0 | 0 | 110 | E290 V294 S309 G344 K345 L347 | E290-Q292 HydrophobicContact CG-CG 4.25Å; E290-Q292 PolarHBondContact OE1-NE2 2.9Å; Q292-V294 PolarHBondContact O-N 3.43Å; Q292-V294 VanDerWaalsContact O-N 3.13Å; Q292-S309 WeakPolarHBondContact CA-OG 3.47Å; Q292-G344 CarbonylContact O-C 3.55Å; Q292-G344 WeakPolarHBondContact O-CA 3.39Å; Q292-K345 HydrophobicContact CB-CB 4.4Å; Q292-K345 PolarHBondContact N-O 2.83Å; Q292-K345 PolarHBondContact O-N 3.4Å; Q292-L347 VanDerWaalsContact CD-CD1 3.45Å; Q292-L347 HydrophobicContact CG-CD1 4.23Å; Q292-L347 VanDerWaalsContact NE2-CD1 3.34Å |
| 293 | D | 83.9 | Confident | 75.4 | Confident | 107 Ų | 107 | 59.2 Ų | 59.2 | 57% | 0.572 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.3 | 31.5 | 175.8 | -56.8 | -33.5 | 0 | 0 | 0 | 114.8 | T295 I308 S309 G344 | D293-T295 PolarHBondContact O-N 3.1Å; D293-T295 PolarHBondContact O-OG1 3.09Å; D293-I308 PolarHBondContact N-O 3.39Å; D293-S309 PolarHBondContact N-OG 3.49Å; D293-S309 PolarHBondContact OD1-OG 2.97Å; D293-S309 VanDerWaalsContact OD1-OG 3.11Å; D293-G344 WeakPolarHBondContact O-CA 3.42Å |
| 294 | V | 85.7 | Confident | 76.1 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 129.5 | -172.2 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | M291 Q292 V305 G307 I308 L334 A341 V346 | M291-V294 HydrophobicContact CB-CB 4.45Å; M291-V294 HydrophobicContact CB-CG2 3.72Å; M291-V294 HydrophobicContact CG-CG2 4.21Å; M291-V294 HydrophobicContact SD-CB 4.37Å; M291-V294 HydrophobicContact SD-CG1 4.34Å; M291-V294 HydrophobicContact SD-CG2 4.23Å; Q292-V294 PolarHBondContact O-N 3.43Å; Q292-V294 VanDerWaalsContact O-N 3.13Å; V294-V305 WeakPolarHBondContact O-CG1 3.37Å; V294-G307 CarbonylContact O-C 3.59Å; V294-G307 WeakPolarHBondContact O-CA 3.26Å; V294-G307 PolarHBondContact O-N 3.05Å; V294-I308 PolarHBondContact N-O 2.83Å; V294-I308 PolarHBondContact O-N 2.74Å; V294-L334 HydrophobicContact CG1-CD1 3.88Å; V294-A341 HydrophobicContact CG1-CB 4.01Å; V294-V346 HydrophobicContact CG1-CG2 4.14Å; V294-V346 HydrophobicContact CG2-CG2 3.64Å |
| 295 | T | 88.4 | Confident | 77.6 | Confident | 29 Ų | 29 | 52.9 Ų | 52.9 | 18% | 0.178 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 137.1 | -177.4 | -61.2 | 0 | 0 | 0 | 0 | 110.2 | D293 T303 V305 G307 T342 S343 | D293-T295 PolarHBondContact O-N 3.1Å; D293-T295 PolarHBondContact O-OG1 3.09Å; T295-T303 HydrophobicContact CG2-CG2 4Å; T295-V305 CarbonylContact C-O 3.5Å; T295-V305 WeakPolarHBondContact CA-O 3.36Å; T295-V305 WeakPolarHBondContact CG2-O 3.28Å; T295-G307 PolarHBondContact OG1-N 3.1Å; T295-T342 WeakPolarHBondContact O-CB 3.38Å; T295-T342 PolarHBondContact O-N 2.81Å; T295-S343 WeakPolarHBondContact CB-OG 3.45Å; T295-S343 PolarHBondContact N-O 2.97Å; T295-S343 PolarHBondContact O-N 2.79Å |
| 296 | K | 90 | Very high | 79.2 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 115.9 | 174.5 | 179.4 | 54.5 | 171.8 | -175.1 | 0 | 111.1 | Y298 T303 A304 V305 T330 L334 E339 K340 | K296-Y298 HydrophobicContact CG-CD2 4.44Å; K296-Y298 HydrophobicContact CG-CE2 4.12Å; K296-T303 CarbonylContact O-C 3.55Å; K296-T303 WeakPolarHBondContact O-CA 3.19Å; K296-A304 PolarHBondContact O-N 2.97Å; K296-V305 HydrophobicContact CB-CB 3.94Å; K296-V305 HydrophobicContact CB-CG2 4.45Å; K296-V305 PolarHBondContact N-O 3.01Å; K296-V305 PolarHBondContact O-N 2.62Å; K296-T330 HydrophobicContact CB-CG2 3.95Å; K296-T330 HydrophobicContact CG-CG2 3.53Å; K296-L334 HydrophobicContact CB-CD1 4.25Å; K296-E339 WeakPolarHBondContact CE-OE2 3.48Å; K296-E339 IonicContact NZ-OE2 3.98Å; K296-E339 PolarHBondContact NZ-OE2 3.07Å; K296-K340 WeakPolarHBondContact CD-O 3.28Å; K296-K340 PolarHBondContact NZ-O 2.96Å |
| 297 | K | 87 | Confident | 80.4 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 44% | 0.435 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.7 | 167.7 | -161.3 | 170.2 | -169.1 | 176.2 | 0 | 109.6 | K301 T302 T303 T342 | K297-K301 WeakPolarHBondContact CE-O 3.42Å; K297-T302 WeakPolarHBondContact CA-O 3.33Å; K297-T303 HydrophobicContact CB-CG2 4.37Å; K297-T342 HydrophobicContact CB-CG2 4.24Å; K297-T342 PolarHBondContact N-OG1 3.31Å; K297-T342 PolarHBondContact O-OG1 3.27Å |
| 298 | Y | 78.6 | Confident | 82 | Confident | 56 Ų | 56 | 50.5 Ų | 50.5 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | trans | -85.9 | 161 | 175.2 | -82.8 | -83.8 | 0 | 0 | 0 | 111.5 | K296 N300 K301 T302 A304 T330 E339 | K296-Y298 HydrophobicContact CG-CD2 4.44Å; K296-Y298 HydrophobicContact CG-CE2 4.12Å; Y298-N300 WeakPolarHBondContact CB-OD1 3.22Å; Y298-N300 PolarHBondContact O-N 3.43Å; Y298-K301 WeakPolarHBondContact O-CA 3.43Å; Y298-K301 PolarHBondContact O-N 2.96Å; Y298-T302 PolarHBondContact N-O 3.31Å; Y298-A304 HydrophobicContact CD2-CB 4.17Å; Y298-A304 HydrophobicContact CE2-CB 4.09Å; Y298-T330 HydrophobicContact CE2-CG2 3.81Å; Y298-E339 WeakPolarHBondContact CE1-OE1 3.44Å; Y298-E339 WeakPolarHBondContact OH-CG 3.44Å; Y298-E339 PolarHBondContact OH-OE1 3.44Å | ||
| 299 | P | 72.3 | Confident | 82.5 | Confident | 129 Ų | 129 | 53.3 Ų | 53.3 | 84% | 0.838 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.1 | -179 | -26.2 | 35.9 | 0 | 0 | 0 | 114.1 | K301 | P299-K301 PolarHBondContact O-N 2.66Š|
| 300 | N | 72.3 | Confident | 82.6 | Confident | 115 Ų | 115 | 53.7 Ų | 53.7 | 62% | 0.615 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 15.1 | 172.2 | 67.3 | -7.7 | 0 | 0 | 0 | 114.3 | Y298 T302 | Y298-N300 WeakPolarHBondContact CB-OD1 3.22Å; Y298-N300 PolarHBondContact O-N 3.43Å; N300-T302 PolarHBondContact O-N 2.91Å; N300-T302 VanDerWaalsContact O-N 3.16Å; N300-T302 WeakPolarHBondContact OD1-CB 3.36Å; N300-T302 PolarHBondContact OD1-N 3.46Å; N300-T302 PolarHBondContact OD1-OG1 3.5Å |
| 301 | K | 70.8 | Confident | 82.7 | Confident | 139 Ų | 139 | 58.3 Ų | 58.3 | 60% | 0.604 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 66.1 | -1 | -176.4 | -54 | 174.1 | -176.8 | 172.2 | 0 | 115.7 | K297 Y298 P299 T303 | K297-K301 WeakPolarHBondContact CE-O 3.42Å; Y298-K301 WeakPolarHBondContact O-CA 3.43Å; Y298-K301 PolarHBondContact O-N 2.96Å; P299-K301 PolarHBondContact O-N 2.66Å; K301-T303 PolarHBondContact O-N 3.43Å |
| 302 | T | 68.3 | Low | 82.8 | Confident | 76 Ų | 76 | 58.2 Ų | 58.2 | 47% | 0.466 | 30% | 0.304 | S | S | . | . | trans | -69.4 | 122.3 | 176.9 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | K297 Y298 N300 | K297-T302 WeakPolarHBondContact CA-O 3.33Å; Y298-T302 PolarHBondContact N-O 3.31Å; N300-T302 PolarHBondContact O-N 2.91Å; N300-T302 VanDerWaalsContact O-N 3.16Å; N300-T302 WeakPolarHBondContact OD1-CB 3.36Å; N300-T302 PolarHBondContact OD1-N 3.46Å; N300-T302 PolarHBondContact OD1-OG1 3.5Å | ||
| 303 | T | 82.7 | Confident | 82.8 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 99.2 | 176.3 | -42.6 | 0 | 0 | 0 | 0 | 110.6 | T295 K296 K297 K301 V305 R306 | T295-T303 HydrophobicContact CG2-CG2 4Å; K296-T303 CarbonylContact O-C 3.55Å; K296-T303 WeakPolarHBondContact O-CA 3.19Å; K297-T303 HydrophobicContact CB-CG2 4.37Å; K301-T303 PolarHBondContact O-N 3.43Å; T303-V305 WeakPolarHBondContact CG2-O 3.5Å; T303-R306 HydrophobicContact CG2-CG 3.7Å; T303-R306 PolarHBondContact O-NE 3Å; T303-R306 PolarHBondContact O-NH2 3.33Å; T303-R306 VanDerWaalsContact O-NH2 3.14Å |
| 304 | A | 80.8 | Confident | 82.6 | Confident | 18 Ų | 18 | 56 Ų | 56 | 15% | 0.149 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -18.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K296 Y298 G327 T330 G501 | K296-A304 PolarHBondContact O-N 2.97Å; Y298-A304 HydrophobicContact CD2-CB 4.17Å; Y298-A304 HydrophobicContact CE2-CB 4.09Å; A304-G327 WeakPolarHBondContact O-CA 3.32Å; A304-T330 HydrophobicContact CB-CG2 4.07Å; A304-G501 VanDerWaalsContact O-CA 3.24Å; A304-G501 WeakPolarHBondContact O-CA 3.27Å |
| 305 | V | 87.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 137.3 | 168.9 | 174.2 | 0 | 0 | 0 | 0 | 108 | V294 T295 K296 T303 I308 T330 F331 L334 G501 | V294-V305 WeakPolarHBondContact O-CG1 3.37Å; T295-V305 CarbonylContact C-O 3.5Å; T295-V305 WeakPolarHBondContact CA-O 3.36Å; T295-V305 WeakPolarHBondContact CG2-O 3.28Å; K296-V305 HydrophobicContact CB-CB 3.94Å; K296-V305 HydrophobicContact CB-CG2 4.45Å; K296-V305 PolarHBondContact N-O 3.01Å; K296-V305 PolarHBondContact O-N 2.62Å; T303-V305 WeakPolarHBondContact CG2-O 3.5Å; V305-I308 HydrophobicContact CG1-CB 4.05Å; V305-I308 HydrophobicContact CG1-CD1 3.71Å; V305-I308 HydrophobicContact CG1-CG1 3.82Å; V305-T330 HydrophobicContact CG2-CG2 3.81Å; V305-F331 HydrophobicContact CG2-CB 4.06Å; V305-L334 HydrophobicContact CG1-CD1 4.44Å; V305-L334 HydrophobicContact CG2-CD1 4.38Å; V305-G501 CarbonylContact C-O 3.45Å |
| 306 | R | 86.9 | Confident | 81.9 | Confident | 111 Ų | 111 | 58 Ų | 58 | 42% | 0.419 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 104 | -167 | -60.1 | 176.5 | -167.4 | 178.2 | 7.6 | 110.1 | T303 I308 N500 G501 L502 | T303-R306 HydrophobicContact CG2-CG 3.7Å; T303-R306 PolarHBondContact O-NE 3Å; T303-R306 PolarHBondContact O-NH2 3.33Å; T303-R306 VanDerWaalsContact O-NH2 3.14Å; R306-I308 VanDerWaalsContact C-N 3.25Å; R306-I308 PolarHBondContact O-N 3.24Å; R306-N500 VanDerWaalsContact CD-O 3.28Å; R306-N500 WeakPolarHBondContact CD-O 3.46Å; R306-N500 PolarHBondContact NE-O 3.13Å; R306-N500 VanDerWaalsContact NE-O 3.12Å; R306-N500 PolarHBondContact NH1-O 2.72Å; R306-G501 PolarHBondContact N-O 3.46Å; R306-L502 HydrophobicContact CB-CD2 4.29Å; R306-L502 HydrophobicContact CB-CG 4.29Å; R306-L502 WeakPolarHBondContact O-CD2 3.32Å |
| 307 | G | 84.6 | Confident | 82.1 | Confident | 37 Ų | 37 | 57.7 Ų | 57.7 | 38% | 0.381 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.9 | 33.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V294 T295 S309 | V294-G307 CarbonylContact O-C 3.59Å; V294-G307 WeakPolarHBondContact O-CA 3.26Å; V294-G307 PolarHBondContact O-N 3.05Å; T295-G307 PolarHBondContact OG1-N 3.1Å; G307-S309 PolarHBondContact O-N 3.42Å |
| 308 | I | 86.9 | Confident | 82.4 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 122.2 | 180 | -70.5 | -173 | 0 | 0 | 0 | 109.8 | D293 V294 V305 R306 V310 F331 I498 I503 | D293-I308 PolarHBondContact N-O 3.39Å; V294-I308 PolarHBondContact N-O 2.83Å; V294-I308 PolarHBondContact O-N 2.74Å; V305-I308 HydrophobicContact CG1-CB 4.05Å; V305-I308 HydrophobicContact CG1-CD1 3.71Å; V305-I308 HydrophobicContact CG1-CG1 3.82Å; R306-I308 VanDerWaalsContact C-N 3.25Å; R306-I308 PolarHBondContact O-N 3.24Å; I308-V310 HydrophobicContact CG2-CG1 4.29Å; I308-F331 HydrophobicContact CD1-CD2 4.14Å; I308-F331 HydrophobicContact CG2-CD2 4.14Å; I308-F331 HydrophobicContact CG2-CE2 3.74Å; I308-I498 HydrophobicContact CD1-CD1 4.17Å; I308-I498 HydrophobicContact CD1-CG2 4.41Å; I308-I503 HydrophobicContact CD1-CG1 4.05Å; I308-I503 HydrophobicContact CG1-CG1 4.21Å; I308-I503 HydrophobicContact CG2-CD1 3.61Å; I308-I503 HydrophobicContact CG2-CG1 3.95Å |
| 309 | S | 85.3 | Confident | 83.1 | Confident | 61 Ų | 61 | 50.2 Ų | 50.2 | 43% | 0.427 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.7 | 166.3 | -69.5 | 0 | 0 | 0 | 0 | 108.6 | M291 Q292 D293 G307 | M291-S309 CarbonylContact O-C 3.15Å; M291-S309 VanDerWaalsContact O-CA 3.24Å; M291-S309 WeakPolarHBondContact O-CA 3.36Å; Q292-S309 WeakPolarHBondContact CA-OG 3.47Å; D293-S309 PolarHBondContact N-OG 3.49Å; D293-S309 PolarHBondContact OD1-OG 2.97Å; D293-S309 VanDerWaalsContact OD1-OG 3.11Å; G307-S309 PolarHBondContact O-N 3.42Å |
| 310 | V | 88.8 | Confident | 84.1 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 148.5 | -179.6 | 64.4 | 0 | 0 | 0 | 0 | 110.6 | M291 I308 I312 F331 I496 I503 | M291-V310 HydrophobicContact CB-CG1 3.91Å; M291-V310 HydrophobicContact CG-CG1 4.17Å; M291-V310 PolarHBondContact N-O 3.47Å; M291-V310 PolarHBondContact O-N 2.86Å; I308-V310 HydrophobicContact CG2-CG1 4.29Å; V310-I312 HydrophobicContact CG2-CG1 4.17Å; V310-F331 HydrophobicContact CG1-CE2 3.89Å; V310-F331 HydrophobicContact CG1-CZ 3.95Å; V310-I496 HydrophobicContact CG2-CD1 3.56Å; V310-I503 HydrophobicContact CB-CD1 3.98Å; V310-I503 HydrophobicContact CG2-CD1 4.3Å |
| 311 | R | 86.3 | Confident | 84.9 | Confident | 120 Ų | 120 | 38.7 Ų | 38.7 | 45% | 0.453 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135.5 | 168.5 | -74.8 | 172.3 | 167.9 | -132.8 | -0.9 | 109.7 | D287 I289 E290 R494 | D287-R311 IonicContact OD1-NH1 2.82Å; D287-R311 WeakPolarHBondContact OD2-CD 3.4Å; D287-R311 WeakPolarHBondContact OD2-CG 3.24Å; D287-R311 IonicContact OD2-CZ 3.18Å; D287-R311 IonicContact OD2-NE 2.78Å; D287-R311 PolarHBondContact OD2-NE 3.11Å; D287-R311 IonicContact OD2-NH1 3.99Å; D287-R311 PolarHBondContact OD2-NH1 3.08Å; D287-R311 IonicContact OD2-NH2 2.68Å; I289-R311 WeakPolarHBondContact O-CA 3.28Å; E290-R311 HydrophobicContact CB-CG 4.39Å; E290-R311 HydrophobicContact CG-CG 4.06Å; E290-R311 IonicContact OE1-CZ 3.54Å; E290-R311 IonicContact OE1-NE 3.06Å; E290-R311 PolarHBondContact OE1-NE 3.12Å; E290-R311 IonicContact OE1-NH2 3.95Å; E290-R311 PolarHBondContact OE1-NH2 3.16Å; E290-R311 IonicContact OE2-NH2 3.78Å; R311-R494 PolarHBondContact O-NH1 2.72Å; R311-R494 VanDerWaalsContact O-NH1 3.09Å; R311-R494 PolarHBondContact O-NH2 3.21Å |
| 312 | I | 89 | Confident | 85.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 127.1 | 174.4 | -56.3 | 176.4 | 0 | 0 | 0 | 107.6 | M288 I289 V310 E316 V318 T477 V479 | M288-I312 PolarHBondContact N-O 3.07Å; I289-I312 HydrophobicContact CB-CB 4.15Å; I289-I312 HydrophobicContact CD1-CB 4.43Å; I289-I312 HydrophobicContact CD1-CD1 4.35Å; I289-I312 PolarHBondContact N-O 3.19Å; I289-I312 PolarHBondContact O-N 3.26Å; V310-I312 HydrophobicContact CG2-CG1 4.17Å; I312-E316 VanDerWaalsContact CA-OE2 3.23Å; I312-E316 WeakPolarHBondContact CA-OE2 3.49Å; I312-E316 HydrophobicContact CG2-CB 3.95Å; I312-E316 WeakPolarHBondContact CG2-OE2 3.44Å; I312-V318 HydrophobicContact CD1-CB 4.22Å; I312-V318 HydrophobicContact CD1-CG1 4.19Å; I312-V318 HydrophobicContact CD1-CG2 4.08Å; I312-V318 HydrophobicContact CG1-CG2 4.21Å; I312-V318 HydrophobicContact CG2-CG2 3.67Å; I312-T477 HydrophobicContact CG2-CG2 3.79Å; I312-V479 HydrophobicContact CD1-CG2 3.82Å |
| 313 | D | 82.2 | Confident | 85.4 | Confident | 72 Ų | 72 | 32.3 Ų | 32.3 | 39% | 0.385 | 18% | 0.181 | S | C | . | . | trans | -91.3 | 162.7 | -171 | -61.9 | -23.1 | 0 | 0 | 0 | 111.4 | G315 E316 T477 | D313-G315 PolarHBondContact O-N 3.09Å; D313-E316 HydrophobicContact CB-CG 4.27Å; D313-E316 PolarHBondContact N-OE2 2.95Å; D313-E316 PolarHBondContact O-N 3.35Å; D313-T477 VanDerWaalsContact O-CG2 3.24Å; D313-T477 WeakPolarHBondContact O-CG2 3.35Å | ||
| 314 | Q | 79.2 | Confident | 84.9 | Confident | 51 Ų | 51 | 35.8 Ų | 35.8 | 24% | 0.238 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 123.6 | -177.4 | -177.9 | 167.2 | -19.2 | 0 | 0 | 111 | L284 M288 | L284-Q314 HydrophobicContact CD2-CB 3.9Å; L284-Q314 VanDerWaalsContact CD2-CD 3.5Å; L284-Q314 HydrophobicContact CD2-CG 3.58Å; L284-Q314 WeakPolarHBondContact O-CB 3.49Å; M288-Q314 HydrophobicContact CB-CB 4.32Å; M288-Q314 HydrophobicContact CE-CB 3.7Å; M288-Q314 VanDerWaalsContact CE-CD 3.44Å; M288-Q314 HydrophobicContact CE-CG 3.47Å; M288-Q314 VanDerWaalsContact CE-CG 3.47Å; M288-Q314 VanDerWaalsContact CE-OE1 3.29Å |
| 315 | G | 75.8 | Confident | 84.5 | Confident | 24 Ų | 24 | 38.9 Ų | 38.9 | 25% | 0.247 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -0.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | D313 N472 T477 | D313-G315 PolarHBondContact O-N 3.09Å; G315-N472 PolarHBondContact O-ND2 2.83Å; G315-T477 PolarHBondContact N-OG1 3.25Å |
| 316 | E | 85.2 | Confident | 84.1 | Confident | 46 Ų | 46 | 39.2 Ų | 39.2 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | trans | -63.6 | 147.5 | 170.5 | -79.7 | -169.1 | 108.1 | 0 | 0 | 112.5 | I312 D313 V318 N472 T477 I478 R494 | I312-E316 VanDerWaalsContact CA-OE2 3.23Å; I312-E316 WeakPolarHBondContact CA-OE2 3.49Å; I312-E316 HydrophobicContact CG2-CB 3.95Å; I312-E316 WeakPolarHBondContact CG2-OE2 3.44Å; D313-E316 HydrophobicContact CB-CG 4.27Å; D313-E316 PolarHBondContact N-OE2 2.95Å; D313-E316 PolarHBondContact O-N 3.35Å; E316-V318 HydrophobicContact CB-CG2 3.94Å; E316-N472 PolarHBondContact O-ND2 2.86Å; E316-T477 CarbonylContact O-C 3.45Å; E316-I478 PolarHBondContact O-N 3.3Å; E316-R494 WeakPolarHBondContact OE1-CD 3.44Å; E316-R494 IonicContact OE1-CZ 3.58Å; E316-R494 IonicContact OE1-NE 3.13Å; E316-R494 IonicContact OE1-NH1 2.77Å; E316-R494 PolarHBondContact OE1-NH1 2.79Å; E316-R494 IonicContact OE2-NH1 3.16Å; E316-R494 PolarHBondContact OE2-NH1 2.91Å | ||
| 317 | F | 92.4 | Very high | 83.9 | Confident | 10 Ų | 10 | 34.2 Ų | 34.2 | 4% | 0.044 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 121.6 | 161.3 | -156.9 | -55 | 0 | 0 | 0 | 108.5 | Y319 M465 L468 N472 I478 M480 H493 R494 | F317-Y319 HydrophobicContact CD1-CE1 4.37Å; F317-Y319 HydrophobicContact CE1-CD1 4.24Å; F317-Y319 AromaticContact CE1-CE1 3.76Å; F317-Y319 HydrophobicContact CE1-CE1 3.76Å; F317-M465 HydrophobicContact CE1-CE 4.39Å; F317-M465 HydrophobicContact CZ-CE 3.8Å; F317-L468 HydrophobicContact CE2-CB 3.99Å; F317-L468 HydrophobicContact CZ-CB 4.12Å; F317-N472 HydrophobicContact CD2-CB 3.8Å; F317-N472 HydrophobicContact CE2-CB 4.45Å; F317-I478 HydrophobicContact CD1-CB 4.37Å; F317-I478 HydrophobicContact CD1-CG2 4.21Å; F317-I478 HydrophobicContact CD2-CB 4.03Å; F317-I478 HydrophobicContact CD2-CD1 4.25Å; F317-I478 HydrophobicContact CD2-CG1 4.45Å; F317-I478 HydrophobicContact CD2-CG2 4.29Å; F317-I478 HydrophobicContact CE1-CB 4.49Å; F317-I478 HydrophobicContact CE1-CG2 3.88Å; F317-I478 HydrophobicContact CE2-CB 4.17Å; F317-I478 HydrophobicContact CE2-CD1 3.95Å; F317-I478 HydrophobicContact CE2-CG2 3.98Å; F317-I478 HydrophobicContact CG-CB 4.11Å; F317-I478 HydrophobicContact CG-CG2 4.39Å; F317-I478 HydrophobicContact CZ-CB 4.39Å; F317-I478 HydrophobicContact CZ-CG2 3.74Å; F317-M480 HydrophobicContact CE1-CB 4.09Å; F317-H493 HydrophobicContact CB-CB 4.06Å; F317-H493 HydrophobicContact CD1-CB 4.15Å; F317-H493 AromaticContact CD1-CD2 3.43Å; F317-H493 VanDerWaalsContact CD1-CD2 3.43Å; F317-H493 WeakPolarHBondContact CD1-CD2 3.44Å; F317-H493 AromaticContact CD2-CD2 3.71Å; F317-H493 AromaticContact CD2-NE2 3.8Å; F317-H493 AromaticContact CE1-CD2 3.89Å; F317-H493 HydrophobicContact CG-CB 4.31Å; F317-H493 AromaticContact CG-CD2 3.36Å; F317-H493 WeakPolarHBondContact CG-CD2 3.49Å; F317-H493 AromaticContact CG-CG 3.93Å; F317-H493 AromaticContact CG-NE2 3.92Å; F317-R494 PolarHBondContact O-N 3.44Å |
| 318 | V | 93.5 | Very high | 84 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 121.3 | -175.7 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | I312 E316 I478 V479 M480 R494 I496 | I312-V318 HydrophobicContact CD1-CB 4.22Å; I312-V318 HydrophobicContact CD1-CG1 4.19Å; I312-V318 HydrophobicContact CD1-CG2 4.08Å; I312-V318 HydrophobicContact CG1-CG2 4.21Å; I312-V318 HydrophobicContact CG2-CG2 3.67Å; E316-V318 HydrophobicContact CB-CG2 3.94Å; V318-I478 PolarHBondContact N-O 3.41Å; V318-V479 CarbonylContact O-C 3.59Å; V318-V479 WeakPolarHBondContact O-CA 3.33Å; V318-M480 PolarHBondContact O-N 3.07Å; V318-R494 CarbonylContact C-O 3.56Å; V318-R494 WeakPolarHBondContact CA-O 3.38Å; V318-R494 HydrophobicContact CG1-CG 4.31Å; V318-R494 HydrophobicContact CG2-CB 4.27Å; V318-R494 HydrophobicContact CG2-CG 4.44Å; V318-I496 HydrophobicContact CG1-CB 4.46Å; V318-I496 HydrophobicContact CG1-CD1 3.66Å; V318-I496 HydrophobicContact CG1-CG1 3.72Å |
| 319 | Y | 94.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 142.7 | 167.9 | -62.1 | -57.4 | 0 | 0 | 0 | 112 | F317 M465 M480 T482 V488 M491 H493 R494 I496 | F317-Y319 HydrophobicContact CD1-CE1 4.37Å; F317-Y319 HydrophobicContact CE1-CD1 4.24Å; F317-Y319 AromaticContact CE1-CE1 3.76Å; F317-Y319 HydrophobicContact CE1-CE1 3.76Å; Y319-M465 HydrophobicContact CE1-CE 4.29Å; Y319-M480 CarbonylContact C-O 3.45Å; Y319-M480 VanDerWaalsContact CA-O 3.27Å; Y319-M480 WeakPolarHBondContact CA-O 3.45Å; Y319-M480 HydrophobicContact CD1-CB 4.38Å; Y319-M480 HydrophobicContact CD1-CG 4.43Å; Y319-M480 HydrophobicContact CE1-SD 4.33Å; Y319-T482 HydrophobicContact CD1-CG2 4.22Å; Y319-V488 HydrophobicContact CD1-CG2 4.14Å; Y319-V488 HydrophobicContact CD2-CG1 4.18Å; Y319-V488 HydrophobicContact CD2-CG2 4.1Å; Y319-V488 HydrophobicContact CE1-CG2 4.36Å; Y319-V488 HydrophobicContact CE2-CG2 4.3Å; Y319-V488 HydrophobicContact CG-CG2 4.01Å; Y319-M491 WeakPolarHBondContact OH-CE 3.41Å; Y319-H493 HydrophobicContact CD2-CB 4.14Å; Y319-H493 HydrophobicContact CE2-CB 3.67Å; Y319-H493 AromaticContact CZ-CD2 3.82Å; Y319-H493 PolarHBondContact OH-CD2 2.84Å; Y319-R494 PolarHBondContact N-O 3.12Å; Y319-I496 PolarHBondContact O-N 2.86Å |
| 320 | V | 93 | Very high | 83.7 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 106.9 | 170.3 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | K328 F331 V479 M480 A481 T482 I496 I498 | V320-K328 HydrophobicContact CG1-CB 4.3Å; V320-K328 HydrophobicContact CG1-CD 4.39Å; V320-K328 HydrophobicContact CG1-CG 4.16Å; V320-K328 WeakPolarHBondContact O-CD 3.48Å; V320-F331 HydrophobicContact CG1-CD1 4.1Å; V320-F331 HydrophobicContact CG1-CE1 4.28Å; V320-F331 HydrophobicContact CG2-CD1 4.42Å; V320-F331 HydrophobicContact CG2-CE1 3.96Å; V320-V479 HydrophobicContact CG2-CG1 3.82Å; V320-M480 PolarHBondContact N-O 2.92Å; V320-A481 HydrophobicContact CB-CB 4.19Å; V320-A481 VanDerWaalsContact O-CA 3.25Å; V320-A481 WeakPolarHBondContact O-CA 3.38Å; V320-T482 PolarHBondContact O-N 2.81Å; V320-T482 VanDerWaalsContact O-N 3.08Å; V320-I496 CarbonylContact C-O 3.5Å; V320-I496 VanDerWaalsContact CA-O 3.29Å; V320-I496 WeakPolarHBondContact CA-O 3.3Å; V320-I498 HydrophobicContact CG1-CD1 3.58Å; V320-I498 HydrophobicContact CG1-CG1 4.08Å |
| 321 | V | 89.4 | Confident | 83.8 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 169.3 | -173.5 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | V488 L495 I496 A497 I498 Y512 | V321-V488 HydrophobicContact CG1-CG2 4.24Å; V321-L495 HydrophobicContact CB-CD1 4.44Å; V321-L495 HydrophobicContact CG1-CD1 3.74Å; V321-L495 HydrophobicContact CG2-CD1 3.81Å; V321-L495 HydrophobicContact CG2-CD2 4.2Å; V321-L495 HydrophobicContact CG2-CG 3.97Å; V321-I496 PolarHBondContact N-O 2.91Å; V321-A497 HydrophobicContact CG2-CB 3.72Å; V321-I498 PolarHBondContact O-N 3.16Å; V321-Y512 HydrophobicContact CB-CD2 4.19Å; V321-Y512 HydrophobicContact CB-CE2 3.85Å; V321-Y512 HydrophobicContact CG1-CD2 3.88Å; V321-Y512 HydrophobicContact CG1-CE2 3.81Å |
| 322 | G | 78.4 | Confident | 83.9 | Confident | 9 Ų | 9 | 27.2 Ų | 27.2 | 9% | 0.093 | 19% | 0.188 | C | C | . | . | trans | 134.8 | 169.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K328 H483 | G322-K328 PolarHBondContact O-NZ 3.28Å; G322-H483 PolarHBondContact O-CE1 2.93Å; G322-H483 PolarHBondContact O-ND1 3.33Å | ||
| 323 | P | 72.1 | Confident | 84 | Confident | 71 Ų | 71 | 29.5 Ų | 29.5 | 46% | 0.461 | 20% | 0.198 | S | C | . | . | trans | -66.7 | 169 | -172.7 | 24 | -31.7 | 0 | 0 | 0 | 114.4 | S326 K328 E499 | P323-S326 WeakPolarHBondContact O-CB 3.4Å; P323-S326 PolarHBondContact O-N 2.72Å; P323-S326 VanDerWaalsContact O-N 3.16Å; P323-S326 PolarHBondContact O-OG 3.12Å; P323-K328 PolarHBondContact O-NZ 2.95Å; P323-E499 HydrophobicContact CG-CG 4.46Å | ||
| 324 | S | 70.8 | Confident | 84.3 | Confident | 108 Ų | 108 | 26.3 Ų | 26.3 | 76% | 0.755 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 136.7 | 174.7 | -63 | 0 | 0 | 0 | 0 | 110.5 | S326 | S324-S326 PolarHBondContact O-N 3.49Š|
| 325 | G | 73.4 | Confident | 84.7 | Confident | 84 Ų | 84 | 23.9 Ų | 23.9 | 87% | 0.866 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 0.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | G327 | G325-G327 PolarHBondContact O-N 3.27Š|
| 326 | S | 78.4 | Confident | 85.4 | Confident | 7 Ų | 7 | 23.3 Ų | 23.3 | 5% | 0.049 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -67.2 | -17.8 | -174.1 | 79.9 | 0 | 0 | 0 | 0 | 115.9 | P323 S324 I498 G501 | P323-S326 WeakPolarHBondContact O-CB 3.4Å; P323-S326 PolarHBondContact O-N 2.72Å; P323-S326 VanDerWaalsContact O-N 3.16Å; P323-S326 PolarHBondContact O-OG 3.12Å; S324-S326 PolarHBondContact O-N 3.49Å; S326-I498 WeakPolarHBondContact CB-O 3.3Å; S326-I498 PolarHBondContact OG-O 2.74Å; S326-G501 WeakPolarHBondContact O-CA 3.14Å; S326-G501 PolarHBondContact O-N 3.33Å |
| 327 | G | 82.2 | Confident | 85.5 | Confident | 6 Ų | 6 | 22.6 Ų | 22.6 | 6% | 0.062 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 128.8 | -16.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | A304 G325 S329 T330 F331 | A304-G327 WeakPolarHBondContact O-CA 3.32Å; G325-G327 PolarHBondContact O-N 3.27Å; G327-S329 PolarHBondContact O-N 3.08Å; G327-T330 WeakPolarHBondContact O-CA 3.4Å; G327-T330 VanDerWaalsContact O-CB 3.31Å; G327-T330 WeakPolarHBondContact O-CB 3.27Å; G327-T330 PolarHBondContact O-N 3.43Å; G327-F331 PolarHBondContact O-N 3.42Å |
| 328 | K | 86.5 | Confident | 85.1 | Confident | 14 Ų | 14 | 26.4 Ų | 26.4 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -40.5 | -64.4 | -171.9 | -55.9 | -164.2 | -62.7 | -73.1 | 0 | 115.1 | V320 G322 P323 T330 F331 I332 A481 H483 | V320-K328 HydrophobicContact CG1-CB 4.3Å; V320-K328 HydrophobicContact CG1-CD 4.39Å; V320-K328 HydrophobicContact CG1-CG 4.16Å; V320-K328 WeakPolarHBondContact O-CD 3.48Å; G322-K328 PolarHBondContact O-NZ 3.28Å; P323-K328 PolarHBondContact O-NZ 2.95Å; K328-T330 PolarHBondContact O-N 2.78Å; K328-F331 WeakPolarHBondContact O-CB 3.41Å; K328-F331 PolarHBondContact O-N 2.83Å; K328-F331 VanDerWaalsContact O-N 3.1Å; K328-I332 PolarHBondContact O-N 3.15Å; K328-A481 HydrophobicContact CB-CB 4.37Å; K328-A481 HydrophobicContact CD-CB 4.46Å; K328-H483 PolarHBondContact NZ-CE1 3.41Å; K328-H483 PolarHBondContact NZ-NE2 2.82Å |
| 329 | S | 81.5 | Confident | 84.8 | Confident | 47 Ų | 47 | 28.4 Ų | 28.4 | 33% | 0.329 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.8 | -22 | -177.5 | -46.2 | 0 | 0 | 0 | 0 | 113.2 | G327 K333 D450 | G327-S329 PolarHBondContact O-N 3.08Å; S329-K333 VanDerWaalsContact O-CB 3.27Å; S329-K333 WeakPolarHBondContact O-CB 3.34Å; S329-K333 WeakPolarHBondContact O-CD 3.38Å; S329-K333 WeakPolarHBondContact O-CG 3.45Å; S329-K333 PolarHBondContact O-N 3.28Å; S329-D450 WeakPolarHBondContact CB-OD2 3.38Å; S329-D450 PolarHBondContact OG-OD1 3.31Å; S329-D450 PolarHBondContact OG-OD2 2.88Å |
| 330 | T | 85.7 | Confident | 84.4 | Confident | 20 Ų | 20 | 33.2 Ų | 33.2 | 12% | 0.123 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73 | -43.6 | 170.4 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | K296 Y298 A304 V305 G327 K328 I332 K333 L334 | K296-T330 HydrophobicContact CB-CG2 3.95Å; K296-T330 HydrophobicContact CG-CG2 3.53Å; Y298-T330 HydrophobicContact CE2-CG2 3.81Å; A304-T330 HydrophobicContact CB-CG2 4.07Å; V305-T330 HydrophobicContact CG2-CG2 3.81Å; G327-T330 WeakPolarHBondContact O-CA 3.4Å; G327-T330 VanDerWaalsContact O-CB 3.31Å; G327-T330 WeakPolarHBondContact O-CB 3.27Å; G327-T330 PolarHBondContact O-N 3.43Å; K328-T330 PolarHBondContact O-N 2.78Å; T330-I332 VanDerWaalsContact C-N 3.35Å; T330-K333 PolarHBondContact O-N 3.43Å; T330-L334 WeakPolarHBondContact O-CG 3.37Å; T330-L334 PolarHBondContact O-N 2.85Å |
| 331 | F | 90 | Very high | 84 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 174.6 | 167.6 | -108.2 | 0 | 0 | 0 | 111.1 | M291 V305 I308 V310 V320 G327 K328 L334 M335 I498 | M291-F331 HydrophobicContact SD-CD2 4.45Å; M291-F331 HydrophobicContact SD-CE2 4.12Å; V305-F331 HydrophobicContact CG2-CB 4.06Å; I308-F331 HydrophobicContact CD1-CD2 4.14Å; I308-F331 HydrophobicContact CG2-CD2 4.14Å; I308-F331 HydrophobicContact CG2-CE2 3.74Å; V310-F331 HydrophobicContact CG1-CE2 3.89Å; V310-F331 HydrophobicContact CG1-CZ 3.95Å; V320-F331 HydrophobicContact CG1-CD1 4.1Å; V320-F331 HydrophobicContact CG1-CE1 4.28Å; V320-F331 HydrophobicContact CG2-CD1 4.42Å; V320-F331 HydrophobicContact CG2-CE1 3.96Å; G327-F331 PolarHBondContact O-N 3.42Å; K328-F331 WeakPolarHBondContact O-CB 3.41Å; K328-F331 PolarHBondContact O-N 2.83Å; K328-F331 VanDerWaalsContact O-N 3.1Å; F331-L334 WeakPolarHBondContact O-CB 3.48Å; F331-L334 PolarHBondContact O-N 2.99Å; F331-M335 HydrophobicContact CD1-CE 4.12Å; F331-M335 HydrophobicContact CE1-CE 3.52Å; F331-M335 HydrophobicContact CE2-CE 3.97Å; F331-M335 HydrophobicContact CZ-CE 3.44Å; F331-M335 VanDerWaalsContact CZ-CE 3.44Å; F331-I498 HydrophobicContact CB-CD1 4.04Å; F331-I498 HydrophobicContact CD1-CD1 3.54Å; F331-I498 HydrophobicContact CD2-CD1 4.36Å; F331-I498 HydrophobicContact CE1-CD1 3.97Å; F331-I498 HydrophobicContact CG-CD1 3.74Å |
| 332 | I | 89.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -45.7 | 171.9 | -87.1 | 177.2 | 0 | 0 | 0 | 112.7 | K328 T330 L334 M335 Y336 I448 D450 A481 | K328-I332 PolarHBondContact O-N 3.15Å; T330-I332 VanDerWaalsContact C-N 3.35Å; I332-L334 PolarHBondContact O-N 2.91Å; I332-M335 WeakPolarHBondContact O-CB 3.42Å; I332-M335 PolarHBondContact O-N 3.35Å; I332-Y336 HydrophobicContact CG2-CE1 3.73Å; I332-Y336 WeakPolarHBondContact O-CD1 3.42Å; I332-Y336 WeakPolarHBondContact O-CE1 3.4Å; I332-I448 HydrophobicContact CB-CG2 4.25Å; I332-I448 HydrophobicContact CD1-CG2 3.84Å; I332-I448 HydrophobicContact CG1-CG2 3.73Å; I332-I448 HydrophobicContact CG2-CG2 3.74Å; I332-D450 HydrophobicContact CD1-CB 4.4Å; I332-A481 HydrophobicContact CD1-CB 3.49Å; I332-A481 VanDerWaalsContact CD1-CB 3.49Å |
| 333 | K | 90 | Very high | 84 | Confident | 48 Ų | 48 | 41.2 Ų | 41.2 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -19.9 | 179.7 | -81.6 | 167.4 | -176.4 | -70.1 | 0 | 114.8 | S329 T330 Y336 E338 E339 | S329-K333 VanDerWaalsContact O-CB 3.27Å; S329-K333 WeakPolarHBondContact O-CB 3.34Å; S329-K333 WeakPolarHBondContact O-CD 3.38Å; S329-K333 WeakPolarHBondContact O-CG 3.45Å; S329-K333 PolarHBondContact O-N 3.28Å; T330-K333 PolarHBondContact O-N 3.43Å; K333-Y336 HydrophobicContact CG-CE1 4.36Å; K333-Y336 WeakPolarHBondContact CG-OH 3.4Å; K333-E338 HydrophobicContact CB-CB 4.35Å; K333-E338 HydrophobicContact CG-CB 4.36Å; K333-E338 IonicContact NZ-OE1 2.76Å; K333-E338 PolarHBondContact NZ-OE1 2.92Å; K333-E338 IonicContact NZ-OE2 2.85Å; K333-E338 PolarHBondContact NZ-OE2 3.49Å; K333-E338 PolarHBondContact O-N 3.26Å; K333-E339 HydrophobicContact CB-CB 4.15Å; K333-E339 HydrophobicContact CB-CG 3.89Å; K333-E339 PolarHBondContact O-N 2.8Å |
| 334 | L | 89.4 | Confident | 84 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.3 | -34.5 | 173.3 | -67.1 | 165.4 | 0 | 0 | 0 | 111.9 | M291 V294 K296 V305 T330 F331 I332 R337 E339 A341 L354 | M291-L334 HydrophobicContact CE-CB 4.47Å; V294-L334 HydrophobicContact CG1-CD1 3.88Å; K296-L334 HydrophobicContact CB-CD1 4.25Å; V305-L334 HydrophobicContact CG1-CD1 4.44Å; V305-L334 HydrophobicContact CG2-CD1 4.38Å; T330-L334 WeakPolarHBondContact O-CG 3.37Å; T330-L334 PolarHBondContact O-N 2.85Å; F331-L334 WeakPolarHBondContact O-CB 3.48Å; F331-L334 PolarHBondContact O-N 2.99Å; I332-L334 PolarHBondContact O-N 2.91Å; L334-R337 PolarHBondContact O-N 3.45Å; L334-E339 HydrophobicContact CD2-CB 3.93Å; L334-E339 HydrophobicContact CG-CB 4.45Å; L334-A341 HydrophobicContact CD2-CB 4.1Å; L334-L354 WeakPolarHBondContact O-CD1 3.05Å |
| 335 | M | 88.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66 | -54.5 | -175.2 | -64.5 | 172.8 | 176.5 | 0 | 0 | 112.5 | I289 M291 F331 I332 R337 V349 L354 I448 V479 | I289-M335 HydrophobicContact CD1-SD 4.31Å; I289-M335 HydrophobicContact CG2-CE 4.42Å; M291-M335 HydrophobicContact CE-CB 4.47Å; M291-M335 HydrophobicContact CE-CE 4.08Å; M291-M335 HydrophobicContact CE-CG 3.43Å; M291-M335 VanDerWaalsContact CE-CG 3.43Å; F331-M335 HydrophobicContact CD1-CE 4.12Å; F331-M335 HydrophobicContact CE1-CE 3.52Å; F331-M335 HydrophobicContact CE2-CE 3.97Å; F331-M335 HydrophobicContact CZ-CE 3.44Å; F331-M335 VanDerWaalsContact CZ-CE 3.44Å; I332-M335 WeakPolarHBondContact O-CB 3.42Å; I332-M335 PolarHBondContact O-N 3.35Å; M335-R337 PolarHBondContact O-N 2.6Å; M335-V349 HydrophobicContact CB-CG1 4.36Å; M335-L354 VanDerWaalsContact O-CD1 3.32Å; M335-L354 WeakPolarHBondContact O-CD1 3.37Å; M335-I448 HydrophobicContact CB-CD1 3.56Å; M335-I448 HydrophobicContact CG-CD1 4.39Å; M335-I448 HydrophobicContact SD-CD1 4Å; M335-V479 HydrophobicContact CE-CG1 4.32Å; M335-V479 HydrophobicContact SD-CG1 4.34Å |
| 336 | Y | 88.7 | Confident | 83.2 | Confident | 12 Ų | 12 | 35.6 Ų | 35.6 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 14.6 | 176 | 63.8 | -88 | 0 | 0 | 0 | 113.5 | I332 K333 E338 R366 V371 F373 I448 | I332-Y336 HydrophobicContact CG2-CE1 3.73Å; I332-Y336 WeakPolarHBondContact O-CD1 3.42Å; I332-Y336 WeakPolarHBondContact O-CE1 3.4Å; K333-Y336 HydrophobicContact CG-CE1 4.36Å; K333-Y336 WeakPolarHBondContact CG-OH 3.4Å; Y336-E338 VanDerWaalsContact C-N 3.3Å; Y336-E338 HydrophobicContact CD2-CB 4.04Å; Y336-E338 HydrophobicContact CE2-CB 3.55Å; Y336-E338 HydrophobicContact CE2-CG 4.44Å; Y336-E338 WeakPolarHBondContact CE2-OE2 3.49Å; Y336-E338 PolarHBondContact O-N 3.31Å; Y336-E338 PolarHBondContact OH-OE2 2.94Å; Y336-R366 PolarHBondContact O-NE 3.34Å; Y336-V371 HydrophobicContact CD1-CG1 4.37Å; Y336-V371 HydrophobicContact CD1-CG2 3.77Å; Y336-V371 HydrophobicContact CD2-CG2 4.16Å; Y336-V371 HydrophobicContact CE1-CG1 4.05Å; Y336-V371 HydrophobicContact CE1-CG2 4.26Å; Y336-V371 HydrophobicContact CG-CG2 3.7Å; Y336-F373 HydrophobicContact CE2-CE1 4.39Å; Y336-F373 HydrophobicContact CE2-CZ 4.42Å; Y336-F373 WeakPolarHBondContact OH-CE1 3.16Å; Y336-I448 HydrophobicContact CD1-CD1 4.01Å |
| 337 | R | 87.9 | Confident | 82.2 | Confident | 32 Ų | 32 | 37.9 Ų | 37.9 | 12% | 0.121 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 38.9 | 172 | -169.2 | 55.8 | 158.7 | -141.8 | -15.3 | 113.1 | L334 M335 L354 V362 L365 R366 | L334-R337 PolarHBondContact O-N 3.45Å; M335-R337 PolarHBondContact O-N 2.6Å; R337-L354 PolarHBondContact NH1-O 3.35Å; R337-L354 PolarHBondContact NH2-O 3.49Å; R337-V362 HydrophobicContact CB-CG1 4.19Å; R337-V362 HydrophobicContact CG-CG1 4.06Å; R337-V362 HydrophobicContact CG-CG2 3.87Å; R337-L365 HydrophobicContact CB-CD2 3.6Å; R337-L365 HydrophobicContact CG-CD2 4.47Å; R337-R366 PolarHBondContact O-NH2 3Å |
| 338 | E | 84.6 | Confident | 81.6 | Confident | 90 Ų | 90 | 39.6 Ų | 39.6 | 42% | 0.421 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -71.9 | -49.4 | 161.1 | -174.3 | -174.3 | 142.3 | 0 | 0 | 108.6 | K333 Y336 | K333-E338 HydrophobicContact CB-CB 4.35Å; K333-E338 HydrophobicContact CG-CB 4.36Å; K333-E338 IonicContact NZ-OE1 2.76Å; K333-E338 PolarHBondContact NZ-OE1 2.92Å; K333-E338 IonicContact NZ-OE2 2.85Å; K333-E338 PolarHBondContact NZ-OE2 3.49Å; K333-E338 PolarHBondContact O-N 3.26Å; Y336-E338 VanDerWaalsContact C-N 3.3Å; Y336-E338 HydrophobicContact CD2-CB 4.04Å; Y336-E338 HydrophobicContact CE2-CB 3.55Å; Y336-E338 HydrophobicContact CE2-CG 4.44Å; Y336-E338 WeakPolarHBondContact CE2-OE2 3.49Å; Y336-E338 PolarHBondContact O-N 3.31Å; Y336-E338 PolarHBondContact OH-OE2 2.94Å |
| 339 | E | 87.7 | Confident | 81.1 | Confident | 41 Ų | 41 | 39 Ų | 39 | 19% | 0.192 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -92.5 | 149.6 | 171.7 | -73.9 | -65.1 | 177.1 | 0 | 0 | 112.4 | K296 Y298 K333 L334 | K296-E339 WeakPolarHBondContact CE-OE2 3.48Å; K296-E339 IonicContact NZ-OE2 3.98Å; K296-E339 PolarHBondContact NZ-OE2 3.07Å; Y298-E339 WeakPolarHBondContact CE1-OE1 3.44Å; Y298-E339 WeakPolarHBondContact OH-CG 3.44Å; Y298-E339 PolarHBondContact OH-OE1 3.44Å; K333-E339 HydrophobicContact CB-CB 4.15Å; K333-E339 HydrophobicContact CB-CG 3.89Å; K333-E339 PolarHBondContact O-N 2.8Å; L334-E339 HydrophobicContact CD2-CB 3.93Å; L334-E339 HydrophobicContact CG-CB 4.45Å |
| 340 | K | 85.9 | Confident | 80.6 | Confident | 101 Ų | 101 | 36.7 Ų | 36.7 | 44% | 0.439 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -101.1 | 133.4 | 166.4 | -62.7 | -169.7 | 178.3 | -171.4 | 0 | 109.4 | K296 N359 | K296-K340 WeakPolarHBondContact CD-O 3.28Å; K296-K340 PolarHBondContact NZ-O 2.96Å; K340-N359 PolarHBondContact NZ-OD1 3.27Å |
| 341 | A | 84.2 | Confident | 80 | Confident | 32 Ų | 32 | 40.6 Ų | 40.6 | 26% | 0.264 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -58.5 | 147.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | V294 L334 | V294-A341 HydrophobicContact CG1-CB 4.01Å; L334-A341 HydrophobicContact CD2-CB 4.1Å |
| 342 | T | 84.7 | Confident | 79.3 | Confident | 81 Ų | 81 | 42.3 Ų | 42.3 | 50% | 0.497 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -86.7 | -35.4 | 175.9 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | T295 K297 | T295-T342 WeakPolarHBondContact O-CB 3.38Å; T295-T342 PolarHBondContact O-N 2.81Å; K297-T342 HydrophobicContact CB-CG2 4.24Å; K297-T342 PolarHBondContact N-OG1 3.31Å; K297-T342 PolarHBondContact O-OG1 3.27Å |
| 343 | S | 82.7 | Confident | 78.8 | Confident | 66 Ų | 66 | 44 Ų | 44 | 46% | 0.462 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 175.4 | 172.4 | 59.1 | 0 | 0 | 0 | 0 | 110.7 | T295 | T295-S343 WeakPolarHBondContact CB-OG 3.45Å; T295-S343 PolarHBondContact N-O 2.97Å; T295-S343 PolarHBondContact O-N 2.79Å |
| 344 | G | 72.6 | Confident | 78.3 | Confident | 29 Ų | 29 | 41.8 Ų | 41.8 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 89.8 | 175.3 | -171 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q292 D293 | Q292-G344 CarbonylContact O-C 3.55Å; Q292-G344 WeakPolarHBondContact O-CA 3.39Å; D293-G344 WeakPolarHBondContact O-CA 3.42Å |
| 345 | K | 67.6 | Low | 77.4 | Confident | 110 Ų | 110 | 46.2 Ų | 46.2 | 48% | 0.478 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 110.5 | 176 | -56.6 | 176.7 | -176.3 | 170 | 0 | 109.7 | Q292 L347 L355 | Q292-K345 HydrophobicContact CB-CB 4.4Å; Q292-K345 PolarHBondContact N-O 2.83Å; Q292-K345 PolarHBondContact O-N 3.4Å; K345-L347 HydrophobicContact CB-CD2 4.19Å; K345-L347 HydrophobicContact CB-CG 4.06Å; K345-L347 HydrophobicContact CD-CD2 4.19Å; K345-L347 PolarHBondContact O-N 3.38Å; K345-L355 HydrophobicContact CB-CD1 3.9Å; K345-L355 HydrophobicContact CG-CD1 3.9Å |
| 346 | V | 58.2 | Low | 76.7 | Confident | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 109.6 | 153.7 | -177.6 | 0 | 0 | 0 | 0 | 105.5 | M291 V294 V349 L354 | M291-V346 HydrophobicContact CE-CG2 4.4Å; M291-V346 HydrophobicContact CG-CG1 4.24Å; M291-V346 HydrophobicContact CG-CG2 4.13Å; M291-V346 HydrophobicContact SD-CG2 4.17Å; V294-V346 HydrophobicContact CG1-CG2 4.14Å; V294-V346 HydrophobicContact CG2-CG2 3.64Å; V346-V349 HydrophobicContact CG1-CG2 3.78Å; V346-L354 HydrophobicContact CB-CB 3.97Å; V346-L354 HydrophobicContact CG1-CB 3.78Å; V346-L354 HydrophobicContact CG1-CD1 3.83Å; V346-L354 HydrophobicContact CG1-CG 3.79Å |
| 347 | L | 57.5 | Low | 76.3 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -38.5 | -173.7 | -78.1 | 175.5 | 0 | 0 | 0 | 111.8 | E290 Q292 K345 D353 | E290-L347 HydrophobicContact CB-CB 4.36Å; E290-L347 HydrophobicContact CG-CB 4.28Å; E290-L347 HydrophobicContact CG-CD1 4.42Å; E290-L347 PolarHBondContact O-N 3.41Å; E290-L347 VanDerWaalsContact OE2-CD1 3.26Å; E290-L347 WeakPolarHBondContact OE2-CD1 3.49Å; Q292-L347 VanDerWaalsContact CD-CD1 3.45Å; Q292-L347 HydrophobicContact CG-CD1 4.23Å; Q292-L347 VanDerWaalsContact NE2-CD1 3.34Å; K345-L347 HydrophobicContact CB-CD2 4.19Å; K345-L347 HydrophobicContact CB-CG 4.06Å; K345-L347 HydrophobicContact CD-CD2 4.19Å; K345-L347 PolarHBondContact O-N 3.38Å; L347-D353 VanDerWaalsContact O-CA 3.31Å; L347-D353 WeakPolarHBondContact O-CA 3.49Å |
| 348 | D | 69.6 | Low | 75.8 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 142.4 | 174.7 | -153 | -45.9 | 0 | 0 | 0 | 111.6 | I289 E290 R351 H352 | I289-D348 WeakPolarHBondContact CA-O 3.29Å; E290-D348 PolarHBondContact N-O 2.92Å; E290-D348 PolarHBondContact O-N 2.94Å; D348-R351 VanDerWaalsContact OD1-C 3.31Å; D348-R351 WeakPolarHBondContact OD1-CA 3.19Å; D348-R351 PolarHBondContact OD1-N 3.46Å; D348-R351 WeakPolarHBondContact OD2-CA 3.2Å; D348-H352 PolarHBondContact OD1-N 3.3Å |
| 349 | V | 77.5 | Confident | 75.4 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 119.1 | 156.4 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | I289 M335 V346 R351 H352 L354 L365 V369 | I289-V349 HydrophobicContact CG1-CG1 4.42Å; I289-V349 HydrophobicContact CG2-CG2 4.3Å; M335-V349 HydrophobicContact CB-CG1 4.36Å; V346-V349 HydrophobicContact CG1-CG2 3.78Å; V349-R351 VanDerWaalsContact C-N 3.33Å; V349-R351 PolarHBondContact O-N 3.44Å; V349-H352 PolarHBondContact N-O 2.89Å; V349-H352 VanDerWaalsContact N-O 3.09Å; V349-H352 WeakPolarHBondContact O-CB 3.44Å; V349-H352 PolarHBondContact O-N 3.39Å; V349-L354 HydrophobicContact CB-CD1 4.08Å; V349-L354 HydrophobicContact CB-CD2 4.44Å; V349-L354 HydrophobicContact CB-CG 4.2Å; V349-L354 HydrophobicContact CG2-CD1 3.63Å; V349-L354 HydrophobicContact CG2-CG 3.99Å; V349-L365 HydrophobicContact CB-CD1 4.25Å; V349-L365 HydrophobicContact CG1-CD1 4.22Å; V349-L365 WeakPolarHBondContact O-CD1 3.35Å; V349-V369 HydrophobicContact CG1-CG2 4.12Å |
| 350 | A | 70.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 59.8 | 34.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | M288 H352 D368 V369 K445 V446 | M288-A350 PolarHBondContact O-N 2.98Å; M288-A350 HydrophobicContact SD-CB 4.39Å; A350-H352 PolarHBondContact O-ND1 3.3Å; A350-D368 HydrophobicContact CB-CB 4.07Å; A350-V369 HydrophobicContact CB-CG2 3.64Å; A350-K445 HydrophobicContact CB-CB 4.45Å; A350-K445 HydrophobicContact CB-CD 4.23Å; A350-K445 PolarHBondContact O-NZ 3.48Å; A350-V446 HydrophobicContact CB-CG2 4.09Å |
| 351 | R | 71.7 | Confident | 74.4 | Confident | 102 Ų | 102 | 62.4 Ų | 62.4 | 39% | 0.385 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 68.9 | 38.7 | -174.8 | -53.9 | -176.8 | 180 | 126.8 | 10 | 113.3 | D348 V349 | D348-R351 VanDerWaalsContact OD1-C 3.31Å; D348-R351 WeakPolarHBondContact OD1-CA 3.19Å; D348-R351 PolarHBondContact OD1-N 3.46Å; D348-R351 WeakPolarHBondContact OD2-CA 3.2Å; V349-R351 VanDerWaalsContact C-N 3.33Å; V349-R351 PolarHBondContact O-N 3.44Å |
| 352 | H | 76.5 | Confident | 74.2 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 17% | 0.167 | 31% | 0.307 | C | S | . | . | trans | -138.1 | 117.6 | 177.1 | -69.6 | 80 | 0 | 0 | 0 | 112.1 | D348 V349 A350 L354 I357 L365 D368 | D348-H352 PolarHBondContact OD1-N 3.3Å; V349-H352 PolarHBondContact N-O 2.89Å; V349-H352 VanDerWaalsContact N-O 3.09Å; V349-H352 WeakPolarHBondContact O-CB 3.44Å; V349-H352 PolarHBondContact O-N 3.39Å; A350-H352 PolarHBondContact O-ND1 3.3Å; H352-L354 HydrophobicContact CB-CD2 4.31Å; H352-L354 WeakPolarHBondContact O-CD2 3.14Å; H352-L354 PolarHBondContact O-N 2.88Å; H352-L354 VanDerWaalsContact O-N 3.12Å; H352-I357 HydrophobicContact CB-CD1 4.36Å; H352-L365 HydrophobicContact CB-CD1 4.09Å; H352-L365 PolarHBondContact NE2-N 3.46Å; H352-D368 IonicContact CE1-OD2 2.73Å; H352-D368 PolarHBondContact CE1-OD2 3.09Å; H352-D368 IonicContact ND1-OD2 3.44Å | ||
| 353 | D | 78.6 | Confident | 74 | Confident | 37 Ų | 37 | 60.7 Ų | 60.7 | 20% | 0.198 | 30% | 0.303 | C | S | . | . | trans | -67.7 | 106.4 | 172.7 | 179.5 | -37.7 | 0 | 0 | 0 | 111.6 | L347 L355 K356 I357 | L347-D353 VanDerWaalsContact O-CA 3.31Å; L347-D353 WeakPolarHBondContact O-CA 3.49Å; D353-L355 VanDerWaalsContact C-N 3.28Å; D353-L355 PolarHBondContact O-N 2.84Å; D353-L355 WeakPolarHBondContact OD1-CA 3.26Å; D353-L355 WeakPolarHBondContact OD1-CB 3.19Å; D353-L355 PolarHBondContact OD1-N 3.37Å; D353-K356 HydrophobicContact CB-CB 4.26Å; D353-K356 PolarHBondContact O-N 3.43Å; D353-K356 PolarHBondContact OD1-N 3.43Å; D353-K356 VanDerWaalsContact OD2-CD 3.27Å; D353-K356 WeakPolarHBondContact OD2-CD 3.33Å; D353-K356 VanDerWaalsContact OD2-CE 3.31Å; D353-K356 WeakPolarHBondContact OD2-CE 3.34Å; D353-K356 WeakPolarHBondContact OD2-CG 3.3Å; D353-K356 IonicContact OD2-NZ 2.91Å; D353-K356 PolarHBondContact OD2-NZ 3.31Å; D353-I357 WeakPolarHBondContact O-CB 3.29Å; D353-I357 PolarHBondContact O-N 3.03Å | ||
| 354 | L | 80.1 | Confident | 73.8 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -7 | -177.5 | -55.7 | -160.8 | 0 | 0 | 0 | 114.1 | L334 M335 R337 V346 V349 H352 I357 L365 | L334-L354 WeakPolarHBondContact O-CD1 3.05Å; M335-L354 VanDerWaalsContact O-CD1 3.32Å; M335-L354 WeakPolarHBondContact O-CD1 3.37Å; R337-L354 PolarHBondContact NH1-O 3.35Å; R337-L354 PolarHBondContact NH2-O 3.49Å; V346-L354 HydrophobicContact CB-CB 3.97Å; V346-L354 HydrophobicContact CG1-CB 3.78Å; V346-L354 HydrophobicContact CG1-CD1 3.83Å; V346-L354 HydrophobicContact CG1-CG 3.79Å; V349-L354 HydrophobicContact CB-CD1 4.08Å; V349-L354 HydrophobicContact CB-CD2 4.44Å; V349-L354 HydrophobicContact CB-CG 4.2Å; V349-L354 HydrophobicContact CG2-CD1 3.63Å; V349-L354 HydrophobicContact CG2-CG 3.99Å; H352-L354 HydrophobicContact CB-CD2 4.31Å; H352-L354 WeakPolarHBondContact O-CD2 3.14Å; H352-L354 PolarHBondContact O-N 2.88Å; H352-L354 VanDerWaalsContact O-N 3.12Å; L354-I357 HydrophobicContact CD2-CD1 4.44Å; L354-I357 HydrophobicContact CD2-CG2 4.15Å; L354-L365 HydrophobicContact CD1-CD2 4.49Å; L354-L365 HydrophobicContact CD2-CD1 3.98Å; L354-L365 HydrophobicContact CD2-CD2 3.5Å; L354-L365 HydrophobicContact CD2-CG 4.32Å |
| 355 | L | 70.7 | Confident | 74.4 | Confident | 97 Ų | 97 | 62.2 Ų | 62.2 | 51% | 0.508 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -44.8 | 165.6 | -78.2 | 175.2 | 0 | 0 | 0 | 110.7 | K345 D353 | K345-L355 HydrophobicContact CB-CD1 3.9Å; K345-L355 HydrophobicContact CG-CD1 3.9Å; D353-L355 VanDerWaalsContact C-N 3.28Å; D353-L355 PolarHBondContact O-N 2.84Å; D353-L355 WeakPolarHBondContact OD1-CA 3.26Å; D353-L355 WeakPolarHBondContact OD1-CB 3.19Å; D353-L355 PolarHBondContact OD1-N 3.37Å |
| 356 | K | 73.5 | Confident | 75.3 | Confident | 162 Ų | 162 | 62.9 Ų | 62.9 | 70% | 0.704 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -21.8 | -174.1 | -61.1 | -177.2 | -168.3 | 109.5 | 0 | 114.2 | D353 K358 | D353-K356 HydrophobicContact CB-CB 4.26Å; D353-K356 PolarHBondContact O-N 3.43Å; D353-K356 PolarHBondContact OD1-N 3.43Å; D353-K356 VanDerWaalsContact OD2-CD 3.27Å; D353-K356 WeakPolarHBondContact OD2-CD 3.33Å; D353-K356 VanDerWaalsContact OD2-CE 3.31Å; D353-K356 WeakPolarHBondContact OD2-CE 3.34Å; D353-K356 WeakPolarHBondContact OD2-CG 3.3Å; D353-K356 IonicContact OD2-NZ 2.91Å; D353-K356 PolarHBondContact OD2-NZ 3.31Å; K356-K358 PolarHBondContact O-N 3.23Å |
| 357 | I | 80.2 | Confident | 76.3 | Confident | 15 Ų | 15 | 66.3 Ų | 66.3 | 8% | 0.077 | 30% | 0.303 | C | S | . | . | trans | -58.9 | 119.8 | -176.1 | -161.4 | 172.7 | 0 | 0 | 0 | 112.5 | H352 D353 L354 E361 V362 L365 | H352-I357 HydrophobicContact CB-CD1 4.36Å; D353-I357 WeakPolarHBondContact O-CB 3.29Å; D353-I357 PolarHBondContact O-N 3.03Å; L354-I357 HydrophobicContact CD2-CD1 4.44Å; L354-I357 HydrophobicContact CD2-CG2 4.15Å; I357-E361 HydrophobicContact CD1-CB 4.29Å; I357-E361 HydrophobicContact CG1-CB 3.55Å; I357-V362 HydrophobicContact CD1-CG2 4.2Å; I357-V362 HydrophobicContact CG1-CG2 4.25Å; I357-V362 HydrophobicContact CG2-CG2 4.24Å; I357-L365 HydrophobicContact CD1-CB 3.79Å; I357-L365 HydrophobicContact CD1-CD2 4.27Å | ||
| 358 | K | 77 | Confident | 77.6 | Confident | 119 Ų | 119 | 65.8 Ų | 65.8 | 52% | 0.517 | 30% | 0.3 | S | S | . | . | trans | -75.9 | 155.6 | 177 | -57.3 | 174.8 | -149.8 | 72.3 | 0 | 109.5 | K356 K360 E361 V362 | K356-K358 PolarHBondContact O-N 3.23Å; K358-K360 HydrophobicContact CB-CG 4.09Å; K358-K360 PolarHBondContact O-N 3.43Å; K358-E361 VanDerWaalsContact CB-OE2 3.25Å; K358-E361 WeakPolarHBondContact CB-OE2 3.4Å; K358-E361 WeakPolarHBondContact CD-OE1 3.45Å; K358-E361 VanDerWaalsContact CG-OE2 3.26Å; K358-E361 WeakPolarHBondContact CG-OE2 3.27Å; K358-E361 PolarHBondContact N-OE2 3.1Å; K358-E361 VanDerWaalsContact NZ-CD 3.29Å; K358-E361 IonicContact NZ-OE1 2.84Å; K358-E361 PolarHBondContact NZ-OE1 3.44Å; K358-E361 IonicContact NZ-OE2 2.72Å; K358-E361 PolarHBondContact NZ-OE2 3.38Å; K358-E361 WeakPolarHBondContact O-CA 3.49Å; K358-E361 WeakPolarHBondContact O-CB 3.11Å; K358-E361 PolarHBondContact O-N 3.49Å; K358-V362 PolarHBondContact O-N 2.72Å | ||
| 359 | N | 76.6 | Confident | 78.5 | Confident | 118 Ų | 118 | 64.1 Ų | 64.1 | 63% | 0.631 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -27.6 | 178.5 | -71 | -3.3 | 0 | 0 | 0 | 113.2 | K340 | K340-N359 PolarHBondContact NZ-OD1 3.27Š|
| 360 | K | 74.5 | Confident | 79.1 | Confident | 153 Ų | 153 | 64.3 Ų | 64.3 | 67% | 0.665 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -18.6 | 174.4 | 66.5 | 157.9 | -167.3 | 165.3 | 0 | 115 | K358 P363 | K358-K360 HydrophobicContact CB-CG 4.09Å; K358-K360 PolarHBondContact O-N 3.43Å; K360-P363 WeakPolarHBondContact O-CD 3.16Å |
| 361 | E | 78 | Confident | 80.1 | Confident | 48 Ų | 48 | 65.5 Ų | 65.5 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -21.1 | -179.3 | -72.4 | 139.1 | -157.8 | 0 | 0 | 111.1 | I357 K358 P363 Y364 | I357-E361 HydrophobicContact CD1-CB 4.29Å; I357-E361 HydrophobicContact CG1-CB 3.55Å; K358-E361 VanDerWaalsContact CB-OE2 3.25Å; K358-E361 WeakPolarHBondContact CB-OE2 3.4Å; K358-E361 WeakPolarHBondContact CD-OE1 3.45Å; K358-E361 VanDerWaalsContact CG-OE2 3.26Å; K358-E361 WeakPolarHBondContact CG-OE2 3.27Å; K358-E361 PolarHBondContact N-OE2 3.1Å; K358-E361 VanDerWaalsContact NZ-CD 3.29Å; K358-E361 IonicContact NZ-OE1 2.84Å; K358-E361 PolarHBondContact NZ-OE1 3.44Å; K358-E361 IonicContact NZ-OE2 2.72Å; K358-E361 PolarHBondContact NZ-OE2 3.38Å; K358-E361 WeakPolarHBondContact O-CA 3.49Å; K358-E361 WeakPolarHBondContact O-CB 3.11Å; K358-E361 PolarHBondContact O-N 3.49Å; E361-P363 VanDerWaalsContact C-CD 3.4Å; E361-P363 VanDerWaalsContact C-N 3.31Å; E361-Y364 WeakPolarHBondContact O-CB 3.49Å; E361-Y364 PolarHBondContact O-N 2.82Å |
| 362 | V | 80.4 | Confident | 81 | Confident | 13 Ų | 13 | 60.6 Ų | 60.6 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -52.9 | -35 | 174.4 | 176.8 | 0 | 0 | 0 | 0 | 114.5 | R337 I357 K358 Y364 L365 R366 | R337-V362 HydrophobicContact CB-CG1 4.19Å; R337-V362 HydrophobicContact CG-CG1 4.06Å; R337-V362 HydrophobicContact CG-CG2 3.87Å; I357-V362 HydrophobicContact CD1-CG2 4.2Å; I357-V362 HydrophobicContact CG1-CG2 4.25Å; I357-V362 HydrophobicContact CG2-CG2 4.24Å; K358-V362 PolarHBondContact O-N 2.72Å; V362-Y364 PolarHBondContact O-N 2.72Å; V362-L365 PolarHBondContact O-N 3.38Å; V362-R366 HydrophobicContact CG1-CG 4.39Å; V362-R366 WeakPolarHBondContact O-CG 3.34Å; V362-R366 PolarHBondContact O-N 2.93Å; V362-R366 VanDerWaalsContact O-N 3.07Å |
| 363 | P | 79.3 | Confident | 81.5 | Confident | 64 Ų | 64 | 61.4 Ų | 61.4 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.3 | -15 | 172.4 | -24.6 | 36.2 | 0 | 0 | 0 | 115.2 | K360 E361 R367 | K360-P363 WeakPolarHBondContact O-CD 3.16Å; E361-P363 VanDerWaalsContact C-CD 3.4Å; E361-P363 VanDerWaalsContact C-N 3.31Å; P363-R367 WeakPolarHBondContact O-CD 3.49Å; P363-R367 VanDerWaalsContact O-CG 3.31Å; P363-R367 WeakPolarHBondContact O-CG 3.37Å; P363-R367 PolarHBondContact O-NE 3.33Å |
| 364 | Y | 79.7 | Confident | 81.4 | Confident | 127 Ų | 127 | 64.2 Ų | 64.2 | 50% | 0.498 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -86.3 | -45.4 | 176.3 | -64.3 | -108.4 | 0 | 0 | 0 | 110.5 | E361 V362 R366 R367 D368 | E361-Y364 WeakPolarHBondContact O-CB 3.49Å; E361-Y364 PolarHBondContact O-N 2.82Å; V362-Y364 PolarHBondContact O-N 2.72Å; Y364-R366 PolarHBondContact O-N 3.49Å; Y364-R367 WeakPolarHBondContact O-CB 3.32Å; Y364-R367 PolarHBondContact O-N 2.89Å; Y364-D368 PolarHBondContact O-N 2.84Å |
| 365 | L | 84.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -48.6 | -46.8 | 165.2 | 168.1 | 72.3 | 0 | 0 | 0 | 111.4 | R337 V349 H352 L354 I357 V362 R367 D368 V369 | R337-L365 HydrophobicContact CB-CD2 3.6Å; R337-L365 HydrophobicContact CG-CD2 4.47Å; V349-L365 HydrophobicContact CB-CD1 4.25Å; V349-L365 HydrophobicContact CG1-CD1 4.22Å; V349-L365 WeakPolarHBondContact O-CD1 3.35Å; H352-L365 HydrophobicContact CB-CD1 4.09Å; H352-L365 PolarHBondContact NE2-N 3.46Å; L354-L365 HydrophobicContact CD1-CD2 4.49Å; L354-L365 HydrophobicContact CD2-CD1 3.98Å; L354-L365 HydrophobicContact CD2-CD2 3.5Å; L354-L365 HydrophobicContact CD2-CG 4.32Å; I357-L365 HydrophobicContact CD1-CB 3.79Å; I357-L365 HydrophobicContact CD1-CD2 4.27Å; V362-L365 PolarHBondContact O-N 3.38Å; L365-R367 PolarHBondContact O-N 3.49Å; L365-D368 PolarHBondContact O-N 2.97Å; L365-D368 VanDerWaalsContact O-N 3.14Å; L365-V369 HydrophobicContact CD1-CG2 3.77Å; L365-V369 HydrophobicContact CG-CG2 4.41Å; L365-V369 WeakPolarHBondContact O-CG2 3.33Å; L365-V369 PolarHBondContact O-N 3.41Å |
| 366 | R | 87.6 | Confident | 81.3 | Confident | 125 Ų | 125 | 64.6 Ų | 64.6 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -78.2 | 10.6 | 179.4 | -63.4 | -177.9 | -176.1 | 173.7 | 3.4 | 114.8 | Y336 R337 V362 Y364 | Y336-R366 PolarHBondContact O-NE 3.34Å; R337-R366 PolarHBondContact O-NH2 3Å; V362-R366 HydrophobicContact CG1-CG 4.39Å; V362-R366 WeakPolarHBondContact O-CG 3.34Å; V362-R366 PolarHBondContact O-N 2.93Å; V362-R366 VanDerWaalsContact O-N 3.07Å; Y364-R366 PolarHBondContact O-N 3.49Å |
| 367 | R | 78.8 | Confident | 81.6 | Confident | 79 Ų | 79 | 61.7 Ų | 61.7 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -98.3 | -37.4 | 161.6 | -69.3 | 161.7 | -172.6 | 178.3 | -6.2 | 110.5 | P363 Y364 L365 I395 | P363-R367 WeakPolarHBondContact O-CD 3.49Å; P363-R367 VanDerWaalsContact O-CG 3.31Å; P363-R367 WeakPolarHBondContact O-CG 3.37Å; P363-R367 PolarHBondContact O-NE 3.33Å; Y364-R367 WeakPolarHBondContact O-CB 3.32Å; Y364-R367 PolarHBondContact O-N 2.89Å; L365-R367 PolarHBondContact O-N 3.49Å; R367-I395 HydrophobicContact CG-CG2 4.02Å; R367-I395 VanDerWaalsContact NE-CG2 3.27Å |
| 368 | D | 83.8 | Confident | 81.9 | Confident | 43 Ų | 43 | 62.2 Ų | 62.2 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -82.8 | -15.6 | -179.9 | -66.2 | 4.5 | 0 | 0 | 0 | 113.3 | A350 H352 Y364 L365 P444 K445 V446 | A350-D368 HydrophobicContact CB-CB 4.07Å; H352-D368 IonicContact CE1-OD2 2.73Å; H352-D368 PolarHBondContact CE1-OD2 3.09Å; H352-D368 IonicContact ND1-OD2 3.44Å; Y364-D368 PolarHBondContact O-N 2.84Å; L365-D368 PolarHBondContact O-N 2.97Å; L365-D368 VanDerWaalsContact O-N 3.14Å; D368-P444 CarbonylContact O-C 3.37Å; D368-P444 VanDerWaalsContact O-CA 3.29Å; D368-P444 WeakPolarHBondContact O-CA 3.07Å; D368-P444 VanDerWaalsContact O-CB 3.31Å; D368-P444 WeakPolarHBondContact O-CB 3.3Å; D368-K445 HydrophobicContact CB-CD 4.22Å; D368-K445 PolarHBondContact O-N 3.38Å; D368-K445 WeakPolarHBondContact OD2-CE 3.24Å; D368-K445 IonicContact OD2-NZ 3.18Å; D368-K445 PolarHBondContact OD2-NZ 2.81Å; D368-V446 PolarHBondContact O-N 3.4Å |
| 369 | V | 88.7 | Confident | 82.1 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 115.2 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | V349 A350 L365 V371 V446 I448 | V349-V369 HydrophobicContact CG1-CG2 4.12Å; A350-V369 HydrophobicContact CB-CG2 3.64Å; L365-V369 HydrophobicContact CD1-CG2 3.77Å; L365-V369 HydrophobicContact CG-CG2 4.41Å; L365-V369 WeakPolarHBondContact O-CG2 3.33Å; L365-V369 PolarHBondContact O-N 3.41Å; V369-V371 HydrophobicContact CG1-CG2 4.29Å; V369-V446 CarbonylContact C-O 3.38Å; V369-V446 WeakPolarHBondContact CA-O 3.26Å; V369-V446 HydrophobicContact CG1-CB 4.43Å; V369-V446 HydrophobicContact CG2-CB 4.37Å; V369-I448 HydrophobicContact CG1-CD1 3.63Å; V369-I448 HydrophobicContact CG1-CG1 4.03Å |
| 370 | G | 89.4 | Confident | 81.9 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 145.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P444 V446 I448 | G370-P444 VanDerWaalsContact N-CB 3.28Å; G370-V446 PolarHBondContact N-O 2.67Å; G370-I448 PolarHBondContact O-N 3.41Å |
| 371 | V | 92 | Very high | 82.1 | Confident | 24 Ų | 24 | 60 Ų | 60 | 15% | 0.145 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 123.6 | 179 | -171.7 | 0 | 0 | 0 | 0 | 110.7 | Y336 V369 F373 I448 | Y336-V371 HydrophobicContact CD1-CG1 4.37Å; Y336-V371 HydrophobicContact CD1-CG2 3.77Å; Y336-V371 HydrophobicContact CD2-CG2 4.16Å; Y336-V371 HydrophobicContact CE1-CG1 4.05Å; Y336-V371 HydrophobicContact CE1-CG2 4.26Å; Y336-V371 HydrophobicContact CG-CG2 3.7Å; V369-V371 HydrophobicContact CG1-CG2 4.29Å; V371-F373 HydrophobicContact CB-CE2 3.95Å; V371-F373 HydrophobicContact CB-CZ 3.99Å; V371-F373 HydrophobicContact CG1-CD1 4.15Å; V371-F373 HydrophobicContact CG1-CD2 4.16Å; V371-F373 HydrophobicContact CG1-CE1 3.75Å; V371-F373 HydrophobicContact CG1-CE2 3.75Å; V371-F373 HydrophobicContact CG1-CG 4.34Å; V371-F373 HydrophobicContact CG1-CZ 3.54Å; V371-I448 CarbonylContact C-O 3.37Å; V371-I448 WeakPolarHBondContact CA-O 3.3Å |
| 372 | V | 91.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 121.2 | 171 | -179.4 | 0 | 0 | 0 | 0 | 107.4 | I436 A439 L447 I448 A449 D450 P452 | V372-I436 HydrophobicContact CG1-CG1 4.18Å; V372-I436 HydrophobicContact CG2-CB 4.48Å; V372-I436 HydrophobicContact CG2-CG1 3.85Å; V372-A439 HydrophobicContact CG2-CB 3.86Å; V372-L447 HydrophobicContact CG2-CD1 3.95Å; V372-I448 PolarHBondContact N-O 2.9Å; V372-A449 HydrophobicContact CB-CB 4.22Å; V372-A449 WeakPolarHBondContact O-CA 3.28Å; V372-D450 PolarHBondContact O-N 2.91Å; V372-P452 HydrophobicContact CG1-CB 4.29Å |
| 373 | F | 85.7 | Confident | 83 | Confident | 52 Ų | 52 | 60.4 Ų | 60.4 | 23% | 0.228 | 28% | 0.277 | C | S | . | . | trans | -99.7 | 149.7 | -176.9 | -62 | -89 | 0 | 0 | 0 | 111 | Y336 V371 D375 K377 | Y336-F373 HydrophobicContact CE2-CE1 4.39Å; Y336-F373 HydrophobicContact CE2-CZ 4.42Å; Y336-F373 WeakPolarHBondContact OH-CE1 3.16Å; V371-F373 HydrophobicContact CB-CE2 3.95Å; V371-F373 HydrophobicContact CB-CZ 3.99Å; V371-F373 HydrophobicContact CG1-CD1 4.15Å; V371-F373 HydrophobicContact CG1-CD2 4.16Å; V371-F373 HydrophobicContact CG1-CE1 3.75Å; V371-F373 HydrophobicContact CG1-CE2 3.75Å; V371-F373 HydrophobicContact CG1-CG 4.34Å; V371-F373 HydrophobicContact CG1-CZ 3.54Å; F373-D375 VanDerWaalsContact CB-O 3.28Å; F373-D375 WeakPolarHBondContact CB-O 3.33Å; F373-D375 PolarHBondContact O-N 2.88Å; F373-K377 HydrophobicContact CB-CG 3.94Å; F373-K377 HydrophobicContact CD2-CB 4.35Å; F373-K377 HydrophobicContact CD2-CG 3.6Å; F373-K377 HydrophobicContact CE2-CG 4.24Å; F373-K377 HydrophobicContact CG-CG 3.8Å | ||
| 374 | Q | 77.1 | Confident | 83.6 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 45% | 0.453 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -54.2 | -39.2 | 175.5 | -172.3 | 177.7 | 33.3 | 0 | 0 | 112.5 | D450 E451 | Q374-D450 VanDerWaalsContact CA-O 3.27Å; Q374-D450 WeakPolarHBondContact CA-O 3.49Å; Q374-D450 WeakPolarHBondContact CB-O 3.43Å; Q374-D450 PolarHBondContact N-O 2.91Å; Q374-E451 HydrophobicContact CB-CB 4.32Å; Q374-E451 HydrophobicContact CG-CB 3.99Å |
| 375 | D | 74.3 | Confident | 84.3 | Confident | 90 Ų | 90 | 53.8 Ų | 53.8 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -100.3 | 125 | 164.5 | 74.3 | -60.4 | 0 | 0 | 0 | 109.8 | F373 K377 | F373-D375 VanDerWaalsContact CB-O 3.28Å; F373-D375 WeakPolarHBondContact CB-O 3.33Å; F373-D375 PolarHBondContact O-N 2.88Å; D375-K377 WeakPolarHBondContact O-CG 3.46Å; D375-K377 PolarHBondContact O-N 2.7Å; D375-K377 WeakPolarHBondContact OD1-CE 3.34Å; D375-K377 IonicContact OD1-NZ 2.8Å; D375-K377 PolarHBondContact OD1-NZ 3.42Å; D375-K377 WeakPolarHBondContact OD2-CD 3.19Å; D375-K377 WeakPolarHBondContact OD2-CE 3.25Å; D375-K377 IonicContact OD2-NZ 3.28Å; D375-K377 PolarHBondContact OD2-NZ 2.91Å |
| 376 | F | 75.8 | Confident | 84.7 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | trans | -61 | -3.9 | -158.5 | -46.5 | -45.5 | 0 | 0 | 0 | 117.6 | L378 G428 Q431 Q432 L456 R2038 | F376-L378 HydrophobicContact CB-CD1 4.41Å; F376-L378 HydrophobicContact CB-CG 3.97Å; F376-L378 WeakPolarHBondContact O-CD2 3.27Å; F376-L378 WeakPolarHBondContact O-CG 3.45Å; F376-L378 PolarHBondContact O-N 3.34Å; F376-G428 VanDerWaalsContact CZ-O 3.27Å; F376-G428 WeakPolarHBondContact CZ-O 3Å; F376-Q431 HydrophobicContact CD2-CB 3.37Å; F376-Q431 HydrophobicContact CD2-CG 4.32Å; F376-Q431 HydrophobicContact CE2-CB 3.56Å; F376-Q431 HydrophobicContact CE2-CG 4.49Å; F376-Q431 HydrophobicContact CG-CB 4.07Å; F376-Q431 HydrophobicContact CZ-CB 4.41Å; F376-Q432 HydrophobicContact CD1-CB 4.1Å; F376-Q432 HydrophobicContact CD1-CG 4.44Å; F376-Q432 HydrophobicContact CE1-CB 3.72Å; F376-Q432 HydrophobicContact CE1-CG 4.19Å; F376-Q432 HydrophobicContact CZ-CB 4.31Å; F376-L456 HydrophobicContact CZ-CD2 4.36Å; F376-R2038 VanDerWaalsContact CE2-NH2 3.31Å | ||
| 377 | K | 79.8 | Confident | 84.9 | Confident | 102 Ų | 102 | 50.5 Ų | 50.5 | 44% | 0.443 | 23% | 0.233 | S | C | . | . | trans | 43.8 | 26.5 | -178.9 | -55.8 | -52.9 | -177.9 | -166.2 | 0 | 115.9 | F373 D375 R438 | F373-K377 HydrophobicContact CB-CG 3.94Å; F373-K377 HydrophobicContact CD2-CB 4.35Å; F373-K377 HydrophobicContact CD2-CG 3.6Å; F373-K377 HydrophobicContact CE2-CG 4.24Å; F373-K377 HydrophobicContact CG-CG 3.8Å; D375-K377 WeakPolarHBondContact O-CG 3.46Å; D375-K377 PolarHBondContact O-N 2.7Å; D375-K377 WeakPolarHBondContact OD1-CE 3.34Å; D375-K377 IonicContact OD1-NZ 2.8Å; D375-K377 PolarHBondContact OD1-NZ 3.42Å; D375-K377 WeakPolarHBondContact OD2-CD 3.19Å; D375-K377 WeakPolarHBondContact OD2-CE 3.25Å; D375-K377 IonicContact OD2-NZ 3.28Å; D375-K377 PolarHBondContact OD2-NZ 2.91Å; K377-R438 PolarHBondContact O-NH1 3.36Å; K377-R438 PolarHBondContact O-NH2 2.92Å | ||
| 378 | L | 84.9 | Confident | 85.5 | Confident | 26 Ų | 26 | 46.7 Ų | 46.7 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | trans | -69.2 | 149.2 | -177.3 | -59.9 | -174.8 | 0 | 0 | 0 | 111.2 | F376 P380 P423 Q431 V434 | F376-L378 HydrophobicContact CB-CD1 4.41Å; F376-L378 HydrophobicContact CB-CG 3.97Å; F376-L378 WeakPolarHBondContact O-CD2 3.27Å; F376-L378 WeakPolarHBondContact O-CG 3.45Å; F376-L378 PolarHBondContact O-N 3.34Å; L378-P380 VanDerWaalsContact O-CD 3.26Å; L378-P380 WeakPolarHBondContact O-CD 3.09Å; L378-P423 HydrophobicContact CB-CB 3.93Å; L378-P423 HydrophobicContact CB-CG 3.9Å; L378-P423 HydrophobicContact CD1-CB 3.8Å; L378-P423 HydrophobicContact CD1-CG 4.12Å; L378-Q431 HydrophobicContact CD1-CB 3.77Å; L378-Q431 HydrophobicContact CD1-CG 3.95Å; L378-V434 HydrophobicContact CD1-CB 4.14Å; L378-V434 HydrophobicContact CD1-CG1 4.27Å; L378-V434 HydrophobicContact CD2-CB 4.03Å; L378-V434 HydrophobicContact CD2-CG1 3.63Å | ||
| 379 | L | 82.6 | Confident | 85.6 | Confident | 58 Ų | 58 | 44.7 Ų | 44.7 | 30% | 0.304 | 21% | 0.208 | S | C | . | . | trans | -87.8 | 103.8 | 176.3 | -61.1 | 176 | 0 | 0 | 0 | 108.5 | R381 K382 N387 Y390 | L379-R381 VanDerWaalsContact C-N 3.3Å; L379-R381 PolarHBondContact O-N 3.19Å; L379-K382 HydrophobicContact CB-CB 4.26Å; L379-K382 HydrophobicContact CB-CD 4.49Å; L379-K382 HydrophobicContact CD1-CD 4.11Å; L379-K382 PolarHBondContact O-N 2.83Å; L379-N387 WeakPolarHBondContact CB-OD1 3.44Å; L379-N387 PolarHBondContact N-OD1 3.3Å; L379-N387 PolarHBondContact O-ND2 2.9Å; L379-Y390 HydrophobicContact CD1-CD1 3.63Å; L379-Y390 HydrophobicContact CD1-CE1 3.94Å; L379-Y390 HydrophobicContact CD1-CG 3.95Å | ||
| 380 | P | 71.1 | Confident | 85.6 | Confident | 53 Ų | 53 | 49.3 Ų | 49.3 | 34% | 0.344 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -21.3 | -164.1 | 27.4 | -36 | 0 | 0 | 0 | 114.2 | L378 K382 S2043 | L378-P380 VanDerWaalsContact O-CD 3.26Å; L378-P380 WeakPolarHBondContact O-CD 3.09Å; P380-K382 VanDerWaalsContact C-N 3.29Å; P380-K382 PolarHBondContact O-N 2.87Å; P380-S2043 WeakPolarHBondContact CB-OG 3.31Å |
| 381 | R | 80.2 | Confident | 85.1 | Confident | 232 Ų | 232 | 50.4 Ų | 50.4 | 88% | 0.875 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 19 | 177.3 | -61.2 | -174.3 | -177.3 | 176.6 | 0.7 | 113.3 | L379 | L379-R381 VanDerWaalsContact C-N 3.3Å; L379-R381 PolarHBondContact O-N 3.19Å |
| 382 | K | 85.7 | Confident | 84.6 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 21% | 0.213 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -130.9 | 142.9 | 178.6 | -82.2 | -170.3 | 161.3 | -70.2 | 0 | 109.3 | L379 P380 E386 N387 F422 P423 | L379-K382 HydrophobicContact CB-CB 4.26Å; L379-K382 HydrophobicContact CB-CD 4.49Å; L379-K382 HydrophobicContact CD1-CD 4.11Å; L379-K382 PolarHBondContact O-N 2.83Å; P380-K382 VanDerWaalsContact C-N 3.29Å; P380-K382 PolarHBondContact O-N 2.87Å; K382-E386 HydrophobicContact CB-CB 3.74Å; K382-E386 HydrophobicContact CD-CB 4.03Å; K382-E386 HydrophobicContact CG-CB 4Å; K382-E386 IonicContact NZ-OE1 2.75Å; K382-E386 PolarHBondContact NZ-OE1 3.17Å; K382-N387 PolarHBondContact O-ND2 2.78Å; K382-F422 VanDerWaalsContact C-CD1 3.43Å; K382-F422 WeakPolarHBondContact O-CD1 3.25Å; K382-P423 WeakPolarHBondContact O-CD 3.28Å |
| 383 | T | 91.2 | Very high | 83.9 | Confident | 20 Ų | 20 | 54.1 Ų | 54.1 | 12% | 0.123 | 25% | 0.25 | C | C | . | . | trans | -63.1 | 170.3 | 173.5 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | Y385 E386 N387 R420 V421 F422 | T383-Y385 VanDerWaalsContact C-N 3.34Å; T383-Y385 PolarHBondContact O-N 3.23Å; T383-E386 PolarHBondContact N-OE2 3.27Å; T383-E386 PolarHBondContact O-N 2.85Å; T383-E386 WeakPolarHBondContact OG1-CB 3.29Å; T383-E386 VanDerWaalsContact OG1-CG 3.27Å; T383-E386 WeakPolarHBondContact OG1-CG 3.38Å; T383-E386 PolarHBondContact OG1-N 2.87Å; T383-E386 PolarHBondContact OG1-OE2 2.66Å; T383-N387 WeakPolarHBondContact O-CB 3.47Å; T383-N387 PolarHBondContact O-N 3Å; T383-N387 PolarHBondContact O-ND2 3.45Å; T383-R420 WeakPolarHBondContact CG2-O 3.08Å; T383-V421 CarbonylContact C-O 3.56Å; T383-V421 WeakPolarHBondContact CA-O 3.25Å; T383-F422 HydrophobicContact CG2-CD1 4.34Å; T383-F422 HydrophobicContact CG2-CD2 4.37Å; T383-F422 HydrophobicContact CG2-CE1 3.87Å; T383-F422 HydrophobicContact CG2-CE2 3.91Å; T383-F422 HydrophobicContact CG2-CZ 3.63Å | ||
| 384 | V | 91.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -53 | -51.7 | 171.4 | 166.9 | 0 | 0 | 0 | 0 | 110.4 | E386 N387 V388 L410 K418 V421 L426 V434 | V384-E386 PolarHBondContact O-N 3.24Å; V384-N387 WeakPolarHBondContact O-CB 3.26Å; V384-N387 PolarHBondContact O-N 3.44Å; V384-V388 WeakPolarHBondContact O-CG2 3.34Å; V384-V388 PolarHBondContact O-N 3.12Å; V384-V388 VanDerWaalsContact O-N 3.14Å; V384-L410 HydrophobicContact CG1-CD1 3.94Å; V384-L410 HydrophobicContact CG1-CD2 3.39Å; V384-L410 HydrophobicContact CG1-CG 4.34Å; V384-K418 WeakPolarHBondContact CB-O 3.25Å; V384-K418 WeakPolarHBondContact CG2-O 3.32Å; V384-V421 HydrophobicContact CG2-CB 4.34Å; V384-V421 WeakPolarHBondContact CG2-O 3.17Å; V384-V421 PolarHBondContact N-O 2.93Å; V384-L426 HydrophobicContact CG2-CD1 3.73Å; V384-L426 HydrophobicContact CG2-CD2 4.17Å; V384-L426 HydrophobicContact CG2-CG 4.41Å; V384-V434 HydrophobicContact CG1-CG2 4.09Å; V384-V434 HydrophobicContact CG2-CG2 3.94Å |
| 385 | Y | 94.6 | Very high | 83.3 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 21% | 0.208 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.1 | -49.6 | 176.7 | 176.8 | -90.5 | 0 | 0 | 0 | 111.5 | T383 N387 V388 A389 K403 V406 V419 | T383-Y385 VanDerWaalsContact C-N 3.34Å; T383-Y385 PolarHBondContact O-N 3.23Å; Y385-N387 VanDerWaalsContact C-N 3.31Å; Y385-N387 PolarHBondContact O-N 2.75Å; Y385-V388 PolarHBondContact O-N 2.84Å; Y385-A389 HydrophobicContact CD1-CB 4.34Å; Y385-A389 HydrophobicContact CE1-CB 4.14Å; Y385-A389 WeakPolarHBondContact O-CA 3.48Å; Y385-A389 WeakPolarHBondContact O-CB 3.28Å; Y385-A389 PolarHBondContact O-N 3Å; Y385-K403 HydrophobicContact CE2-CG 4.32Å; Y385-K403 VanDerWaalsContact OH-CA 3.25Å; Y385-K403 WeakPolarHBondContact OH-CA 3.42Å; Y385-K403 WeakPolarHBondContact OH-CB 3.3Å; Y385-V406 HydrophobicContact CD2-CB 4.17Å; Y385-V406 HydrophobicContact CD2-CG1 3.45Å; Y385-V406 VanDerWaalsContact CD2-CG1 3.45Å; Y385-V406 HydrophobicContact CE2-CB 3.98Å; Y385-V406 HydrophobicContact CE2-CG1 3.79Å; Y385-V406 HydrophobicContact CG-CG1 4.16Å; Y385-V419 WeakPolarHBondContact CB-O 3.32Å; Y385-V419 HydrophobicContact CD2-CG1 3.88Å; Y385-V419 HydrophobicContact CG-CG1 4.05Å; Y385-V419 PolarHBondContact N-O 3.37Å |
| 386 | E | 91.6 | Very high | 83.1 | Confident | 55 Ų | 55 | 52.5 Ų | 52.5 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.6 | -32.4 | 178.5 | -74.5 | 175.5 | 91 | 0 | 0 | 113.3 | K382 T383 V384 Y390 | K382-E386 HydrophobicContact CB-CB 3.74Å; K382-E386 HydrophobicContact CD-CB 4.03Å; K382-E386 HydrophobicContact CG-CB 4Å; K382-E386 IonicContact NZ-OE1 2.75Å; K382-E386 PolarHBondContact NZ-OE1 3.17Å; T383-E386 PolarHBondContact N-OE2 3.27Å; T383-E386 PolarHBondContact O-N 2.85Å; T383-E386 WeakPolarHBondContact OG1-CB 3.29Å; T383-E386 VanDerWaalsContact OG1-CG 3.27Å; T383-E386 WeakPolarHBondContact OG1-CG 3.38Å; T383-E386 PolarHBondContact OG1-N 2.87Å; T383-E386 PolarHBondContact OG1-OE2 2.66Å; V384-E386 PolarHBondContact O-N 3.24Å; E386-Y390 WeakPolarHBondContact O-CB 3.35Å; E386-Y390 PolarHBondContact O-N 3.11Å |
| 387 | N | 92.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 178.2 | -102.2 | -84.5 | 0 | 0 | 0 | 111.6 | L379 K382 T383 V384 Y385 V434 R438 | L379-N387 WeakPolarHBondContact CB-OD1 3.44Å; L379-N387 PolarHBondContact N-OD1 3.3Å; L379-N387 PolarHBondContact O-ND2 2.9Å; K382-N387 PolarHBondContact O-ND2 2.78Å; T383-N387 WeakPolarHBondContact O-CB 3.47Å; T383-N387 PolarHBondContact O-N 3Å; T383-N387 PolarHBondContact O-ND2 3.45Å; V384-N387 WeakPolarHBondContact O-CB 3.26Å; V384-N387 PolarHBondContact O-N 3.44Å; Y385-N387 VanDerWaalsContact C-N 3.31Å; Y385-N387 PolarHBondContact O-N 2.75Å; N387-V434 HydrophobicContact CB-CG1 4.07Å; N387-R438 HydrophobicContact CB-CG 4.46Å; N387-R438 WeakPolarHBondContact O-CG 3.49Å; N387-R438 PolarHBondContact O-NE 2.91Å |
| 388 | V | 91.4 | Very high | 83 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -75.9 | -44.4 | 177.5 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | V384 Y385 Y390 A391 V406 V409 L410 V434 A437 R438 V441 | V384-V388 WeakPolarHBondContact O-CG2 3.34Å; V384-V388 PolarHBondContact O-N 3.12Å; V384-V388 VanDerWaalsContact O-N 3.14Å; Y385-V388 PolarHBondContact O-N 2.84Å; V388-Y390 VanDerWaalsContact C-N 3.27Å; V388-Y390 PolarHBondContact O-N 3.16Å; V388-A391 PolarHBondContact O-N 3.34Å; V388-V406 HydrophobicContact CB-CG1 4.01Å; V388-V406 HydrophobicContact CG1-CB 4.46Å; V388-V406 HydrophobicContact CG1-CG1 4.04Å; V388-V406 HydrophobicContact CG1-CG2 4.13Å; V388-V409 HydrophobicContact CG1-CG1 4.38Å; V388-L410 HydrophobicContact CG2-CD2 4.12Å; V388-V434 HydrophobicContact CG2-CG1 4.24Å; V388-A437 HydrophobicContact CG1-CB 4.34Å; V388-A437 HydrophobicContact CG2-CB 3.69Å; V388-R438 HydrophobicContact CB-CG 4.46Å; V388-R438 HydrophobicContact CG2-CG 3.94Å; V388-V441 HydrophobicContact CG1-CB 3.76Å; V388-V441 HydrophobicContact CG1-CG1 4.36Å; V388-V441 HydrophobicContact CG1-CG2 3.68Å |
| 389 | A | 86.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.1 | -33.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y385 A391 M392 Q393 I402 V406 | Y385-A389 HydrophobicContact CD1-CB 4.34Å; Y385-A389 HydrophobicContact CE1-CB 4.14Å; Y385-A389 WeakPolarHBondContact O-CA 3.48Å; Y385-A389 WeakPolarHBondContact O-CB 3.28Å; Y385-A389 PolarHBondContact O-N 3Å; A389-A391 PolarHBondContact O-N 3.49Å; A389-M392 CarbonylContact O-C 3.52Å; A389-M392 WeakPolarHBondContact O-CA 3.5Å; A389-M392 PolarHBondContact O-N 2.85Å; A389-Q393 WeakPolarHBondContact O-CG 3.36Å; A389-Q393 PolarHBondContact O-N 2.86Å; A389-I402 HydrophobicContact CB-CG2 3.56Å; A389-V406 HydrophobicContact CB-CG2 3.93Å |
| 390 | Y | 88 | Confident | 81.7 | Confident | 105 Ų | 105 | 70.9 Ų | 70.9 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.1 | -38.7 | -176.9 | -174.8 | -109.7 | 0 | 0 | 0 | 112.7 | L379 E386 V388 M392 Q393 V394 | L379-Y390 HydrophobicContact CD1-CD1 3.63Å; L379-Y390 HydrophobicContact CD1-CE1 3.94Å; L379-Y390 HydrophobicContact CD1-CG 3.95Å; E386-Y390 WeakPolarHBondContact O-CB 3.35Å; E386-Y390 PolarHBondContact O-N 3.11Å; V388-Y390 VanDerWaalsContact C-N 3.27Å; V388-Y390 PolarHBondContact O-N 3.16Å; Y390-M392 VanDerWaalsContact C-N 3.27Å; Y390-M392 PolarHBondContact O-N 2.85Å; Y390-Q393 PolarHBondContact O-N 2.96Å; Y390-V394 HydrophobicContact CD1-CG2 4.18Å; Y390-V394 HydrophobicContact CD2-CG2 4.23Å; Y390-V394 HydrophobicContact CE1-CG2 3.84Å; Y390-V394 HydrophobicContact CE2-CG2 3.89Å; Y390-V394 HydrophobicContact CG-CG2 4.37Å; Y390-V394 WeakPolarHBondContact O-CB 3.21Å; Y390-V394 VanDerWaalsContact O-CG2 3.28Å; Y390-V394 WeakPolarHBondContact O-CG2 3.36Å; Y390-V394 PolarHBondContact O-N 2.86Å |
| 391 | A | 78.7 | Confident | 82.1 | Confident | 27 Ų | 27 | 71.9 Ų | 71.9 | 22% | 0.223 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.9 | -27.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V388 A389 V441 N442 | V388-A391 PolarHBondContact O-N 3.34Å; A389-A391 PolarHBondContact O-N 3.49Å; A391-V441 HydrophobicContact CB-CG1 3.81Å; A391-N442 PolarHBondContact O-ND2 3.46Å |
| 392 | M | 82.3 | Confident | 82.2 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 4% | 0.044 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -85.8 | -32.1 | 172.2 | -62.7 | -175.7 | 73.4 | 0 | 0 | 113.1 | A389 Y390 I395 G396 R397 I402 R405 V406 V441 N442 | A389-M392 CarbonylContact O-C 3.52Å; A389-M392 WeakPolarHBondContact O-CA 3.5Å; A389-M392 PolarHBondContact O-N 2.85Å; Y390-M392 VanDerWaalsContact C-N 3.27Å; Y390-M392 PolarHBondContact O-N 2.85Å; M392-I395 WeakPolarHBondContact O-CG1 3.23Å; M392-I395 PolarHBondContact O-N 2.83Å; M392-G396 PolarHBondContact O-N 2.79Å; M392-R397 HydrophobicContact CB-CB 4.37Å; M392-R397 HydrophobicContact CB-CG 4.46Å; M392-R397 HydrophobicContact CE-CB 4.03Å; M392-R397 HydrophobicContact CE-CG 3.91Å; M392-R397 PolarHBondContact O-N 2.72Å; M392-I402 HydrophobicContact CB-CD1 4.05Å; M392-I402 HydrophobicContact CB-CG1 3.75Å; M392-I402 HydrophobicContact CB-CG2 4.44Å; M392-I402 HydrophobicContact CE-CG1 4.12Å; M392-I402 HydrophobicContact SD-CB 4.44Å; M392-I402 HydrophobicContact SD-CG1 4.33Å; M392-I402 HydrophobicContact SD-CG2 4.47Å; M392-R405 HydrophobicContact CE-CB 3.8Å; M392-R405 HydrophobicContact CE-CG 4.04Å; M392-R405 HydrophobicContact SD-CB 3.8Å; M392-R405 HydrophobicContact SD-CG 3.83Å; M392-V406 HydrophobicContact SD-CG2 4.12Å; M392-V441 HydrophobicContact CG-CG1 4.23Å; M392-V441 HydrophobicContact CG-CG2 3.8Å; M392-V441 HydrophobicContact SD-CG2 3.56Å; M392-V441 VanDerWaalsContact SD-CG2 3.56Å; M392-N442 WeakPolarHBondContact CG-OD1 3.32Å |
| 393 | Q | 76.8 | Confident | 82.2 | Confident | 93 Ų | 93 | 65.2 Ų | 65.2 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 175.3 | -71.7 | 174.8 | -23.8 | 0 | 0 | 110.8 | A389 Y390 I395 G396 I402 | A389-Q393 WeakPolarHBondContact O-CG 3.36Å; A389-Q393 PolarHBondContact O-N 2.86Å; Y390-Q393 PolarHBondContact O-N 2.96Å; Q393-I395 PolarHBondContact O-N 2.83Å; Q393-I395 VanDerWaalsContact O-N 3.16Å; Q393-G396 PolarHBondContact O-N 3.22Å; Q393-I402 HydrophobicContact CG-CD1 3.77Å |
| 394 | V | 73.7 | Confident | 82 | Confident | 93 Ų | 93 | 71 Ų | 71 | 56% | 0.564 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -18.5 | 178.1 | 168.9 | 0 | 0 | 0 | 0 | 113 | Y390 | Y390-V394 HydrophobicContact CD1-CG2 4.18Å; Y390-V394 HydrophobicContact CD2-CG2 4.23Å; Y390-V394 HydrophobicContact CE1-CG2 3.84Å; Y390-V394 HydrophobicContact CE2-CG2 3.89Å; Y390-V394 HydrophobicContact CG-CG2 4.37Å; Y390-V394 WeakPolarHBondContact O-CB 3.21Å; Y390-V394 VanDerWaalsContact O-CG2 3.28Å; Y390-V394 WeakPolarHBondContact O-CG2 3.36Å; Y390-V394 PolarHBondContact O-N 2.86Å |
| 395 | I | 76.7 | Confident | 81.9 | Confident | 45 Ų | 45 | 74.2 Ų | 74.2 | 23% | 0.231 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 6.3 | 174.4 | 69.1 | 167.2 | 0 | 0 | 0 | 113.7 | R367 M392 Q393 R397 N442 | R367-I395 HydrophobicContact CG-CG2 4.02Å; R367-I395 VanDerWaalsContact NE-CG2 3.27Å; M392-I395 WeakPolarHBondContact O-CG1 3.23Å; M392-I395 PolarHBondContact O-N 2.83Å; Q393-I395 PolarHBondContact O-N 2.83Å; Q393-I395 VanDerWaalsContact O-N 3.16Å; I395-R397 HydrophobicContact CD1-CG 4Å; I395-R397 HydrophobicContact CG1-CG 4.05Å; I395-N442 WeakPolarHBondContact CD1-OD1 3.33Å |
| 396 | G | 70.3 | Confident | 81.8 | Confident | 67 Ų | 67 | 71.7 Ų | 71.7 | 69% | 0.691 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 25.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | M392 Q393 | M392-G396 PolarHBondContact O-N 2.79Å; Q393-G396 PolarHBondContact O-N 3.22Å |
| 397 | R | 77.4 | Confident | 81.7 | Confident | 150 Ų | 150 | 71.7 Ų | 71.7 | 57% | 0.566 | 35% | 0.349 | S | S | * | . | trans | -67.5 | 147.6 | 173.9 | -68.9 | -68.8 | -171.2 | -175.4 | 1.4 | 111.2 | M392 I395 I402 | M392-R397 HydrophobicContact CB-CB 4.37Å; M392-R397 HydrophobicContact CB-CG 4.46Å; M392-R397 HydrophobicContact CE-CB 4.03Å; M392-R397 HydrophobicContact CE-CG 3.91Å; M392-R397 PolarHBondContact O-N 2.72Å; I395-R397 HydrophobicContact CD1-CG 4Å; I395-R397 HydrophobicContact CG1-CG 4.05Å; R397-I402 HydrophobicContact CB-CD1 4.18Å; R397-I402 HydrophobicContact CB-CG1 3.75Å; R397-I402 WeakPolarHBondContact O-CD1 3.42Å | ||
| 398 | K | 74.9 | Confident | 81.5 | Confident | 115 Ų | 115 | 75.4 Ų | 75.4 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | trans | -64.2 | 143.8 | 179.9 | -62 | -170.3 | 175.2 | -168.5 | 0 | 110.7 | R400 D401 I402 | K398-R400 PolarHBondContact O-N 3.06Å; K398-D401 WeakPolarHBondContact CB-OD2 3.28Å; K398-D401 PolarHBondContact O-N 2.68Å; K398-I402 WeakPolarHBondContact O-CG1 3.22Å; K398-I402 PolarHBondContact O-N 3.42Å | ||
| 399 | P | 68 | Low | 81.4 | Confident | 107 Ų | 107 | 75.4 Ų | 75.4 | 70% | 0.695 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -56 | -29.5 | -176.9 | -28.9 | 35.9 | 0 | 0 | 0 | 115.3 | K403 | P399-K403 WeakPolarHBondContact O-CB 3.18Å; P399-K403 PolarHBondContact O-N 2.78Å |
| 400 | R | 73.2 | Confident | 81.7 | Confident | 215 Ų | 215 | 75.4 Ų | 75.4 | 81% | 0.811 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.1 | -44.2 | 174.5 | -174.1 | 178.5 | -178.1 | 179.2 | -1 | 112.1 | K398 K403 K404 | K398-R400 PolarHBondContact O-N 3.06Å; R400-K403 PolarHBondContact O-N 3.41Å; R400-K404 PolarHBondContact O-N 2.91Å |
| 401 | D | 79.6 | Confident | 81.8 | Confident | 74 Ų | 74 | 74.5 Ų | 74.5 | 40% | 0.396 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -73.5 | -40.4 | -177.9 | -49.6 | -27.1 | 0 | 0 | 0 | 110.5 | K398 K403 K404 R405 | K398-D401 WeakPolarHBondContact CB-OD2 3.28Å; K398-D401 PolarHBondContact O-N 2.68Å; D401-K403 VanDerWaalsContact C-N 3.34Å; D401-K403 PolarHBondContact O-N 2.82Å; D401-K404 PolarHBondContact O-N 3.33Å; D401-R405 WeakPolarHBondContact O-CB 3Å; D401-R405 PolarHBondContact O-N 2.78Å |
| 402 | I | 82.4 | Confident | 82.1 | Confident | 7 Ų | 7 | 74.9 Ų | 74.9 | 4% | 0.036 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -54.3 | -52 | 169 | -63.5 | -177.3 | 0 | 0 | 0 | 109.6 | A389 M392 Q393 R397 K398 K404 R405 V406 | A389-I402 HydrophobicContact CB-CG2 3.56Å; M392-I402 HydrophobicContact CB-CD1 4.05Å; M392-I402 HydrophobicContact CB-CG1 3.75Å; M392-I402 HydrophobicContact CB-CG2 4.44Å; M392-I402 HydrophobicContact CE-CG1 4.12Å; M392-I402 HydrophobicContact SD-CB 4.44Å; M392-I402 HydrophobicContact SD-CG1 4.33Å; M392-I402 HydrophobicContact SD-CG2 4.47Å; Q393-I402 HydrophobicContact CG-CD1 3.77Å; R397-I402 HydrophobicContact CB-CD1 4.18Å; R397-I402 HydrophobicContact CB-CG1 3.75Å; R397-I402 WeakPolarHBondContact O-CD1 3.42Å; K398-I402 WeakPolarHBondContact O-CG1 3.22Å; K398-I402 PolarHBondContact O-N 3.42Å; I402-K404 VanDerWaalsContact C-N 3.33Å; I402-K404 PolarHBondContact O-N 2.89Å; I402-R405 PolarHBondContact O-N 3.29Å; I402-V406 HydrophobicContact CG2-CG2 3.91Å; I402-V406 VanDerWaalsContact O-CB 3.23Å; I402-V406 WeakPolarHBondContact O-CB 3.44Å; I402-V406 WeakPolarHBondContact O-CG2 3.4Å; I402-V406 PolarHBondContact O-N 3.06Å |
| 403 | K | 85.4 | Confident | 82.5 | Confident | 134 Ų | 134 | 74.4 Ų | 74.4 | 58% | 0.583 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.4 | -41.4 | -178.9 | -172 | -179.5 | 176.7 | -174.1 | 0 | 112.4 | Y385 P399 R400 D401 M407 | Y385-K403 HydrophobicContact CE2-CG 4.32Å; Y385-K403 VanDerWaalsContact OH-CA 3.25Å; Y385-K403 WeakPolarHBondContact OH-CA 3.42Å; Y385-K403 WeakPolarHBondContact OH-CB 3.3Å; P399-K403 WeakPolarHBondContact O-CB 3.18Å; P399-K403 PolarHBondContact O-N 2.78Å; R400-K403 PolarHBondContact O-N 3.41Å; D401-K403 VanDerWaalsContact C-N 3.34Å; D401-K403 PolarHBondContact O-N 2.82Å; K403-M407 WeakPolarHBondContact O-CB 3.46Å; K403-M407 WeakPolarHBondContact O-CG 3.24Å; K403-M407 PolarHBondContact O-N 3.01Å |
| 404 | K | 86.5 | Confident | 83.1 | Confident | 141 Ų | 141 | 71.9 Ų | 71.9 | 61% | 0.613 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.2 | -59.4 | 175.7 | 177.6 | 173.9 | 169.9 | 178 | 0 | 110.9 | R400 D401 I402 V406 M407 E408 | R400-K404 PolarHBondContact O-N 2.91Å; D401-K404 PolarHBondContact O-N 3.33Å; I402-K404 VanDerWaalsContact C-N 3.33Å; I402-K404 PolarHBondContact O-N 2.89Å; K404-V406 PolarHBondContact O-N 2.9Å; K404-M407 PolarHBondContact O-N 3.29Å; K404-M407 VanDerWaalsContact O-N 3.12Å; K404-E408 WeakPolarHBondContact CE-OE1 3.37Å; K404-E408 VanDerWaalsContact CG-OE1 3.32Å; K404-E408 WeakPolarHBondContact CG-OE1 3.3Å; K404-E408 IonicContact NZ-OE1 3.17Å; K404-E408 WeakPolarHBondContact O-CG 3.33Å; K404-E408 PolarHBondContact O-N 2.65Å; K404-E408 VanDerWaalsContact O-N 3.08Å |
| 405 | R | 89.4 | Confident | 84 | Confident | 68 Ų | 68 | 67.6 Ų | 67.6 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64 | -39.3 | -173.2 | -178.9 | 59.7 | -174.3 | 161.6 | 6.1 | 113.1 | M392 D401 I402 M407 E408 V409 I440 V441 | M392-R405 HydrophobicContact CE-CB 3.8Å; M392-R405 HydrophobicContact CE-CG 4.04Å; M392-R405 HydrophobicContact SD-CB 3.8Å; M392-R405 HydrophobicContact SD-CG 3.83Å; D401-R405 WeakPolarHBondContact O-CB 3Å; D401-R405 PolarHBondContact O-N 2.78Å; I402-R405 PolarHBondContact O-N 3.29Å; R405-M407 VanDerWaalsContact C-N 3.32Å; R405-M407 PolarHBondContact O-N 2.94Å; R405-E408 WeakPolarHBondContact CD-OE2 3.46Å; R405-E408 IonicContact NH1-OE2 3.25Å; R405-E408 PolarHBondContact O-N 2.83Å; R405-V409 HydrophobicContact CG-CG2 4.34Å; R405-V409 WeakPolarHBondContact O-CB 3.5Å; R405-V409 WeakPolarHBondContact O-CG2 3.4Å; R405-V409 PolarHBondContact O-N 3.32Å; R405-I440 PolarHBondContact NH2-O 3.22Å; R405-V441 HydrophobicContact CG-CG2 4.05Å; R405-V441 WeakPolarHBondContact CG-O 3.26Å; R405-V441 PolarHBondContact NE-O 2.92Å |
| 406 | V | 91.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.5 | -39 | 176.1 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | Y385 V388 A389 M392 I402 K404 V409 L410 V441 | Y385-V406 HydrophobicContact CD2-CB 4.17Å; Y385-V406 HydrophobicContact CD2-CG1 3.45Å; Y385-V406 VanDerWaalsContact CD2-CG1 3.45Å; Y385-V406 HydrophobicContact CE2-CB 3.98Å; Y385-V406 HydrophobicContact CE2-CG1 3.79Å; Y385-V406 HydrophobicContact CG-CG1 4.16Å; V388-V406 HydrophobicContact CB-CG1 4.01Å; V388-V406 HydrophobicContact CG1-CB 4.46Å; V388-V406 HydrophobicContact CG1-CG1 4.04Å; V388-V406 HydrophobicContact CG1-CG2 4.13Å; A389-V406 HydrophobicContact CB-CG2 3.93Å; M392-V406 HydrophobicContact SD-CG2 4.12Å; I402-V406 HydrophobicContact CG2-CG2 3.91Å; I402-V406 VanDerWaalsContact O-CB 3.23Å; I402-V406 WeakPolarHBondContact O-CB 3.44Å; I402-V406 WeakPolarHBondContact O-CG2 3.4Å; I402-V406 PolarHBondContact O-N 3.06Å; K404-V406 PolarHBondContact O-N 2.9Å; V406-V409 PolarHBondContact O-N 3.2Å; V406-L410 HydrophobicContact CG1-CD1 3.79Å; V406-L410 HydrophobicContact CG1-CG 4.28Å; V406-L410 VanDerWaalsContact O-CB 3.31Å; V406-L410 WeakPolarHBondContact O-CB 3.03Å; V406-L410 WeakPolarHBondContact O-CG 3.29Å; V406-L410 PolarHBondContact O-N 3.48Å; V406-V441 HydrophobicContact CG2-CG2 4.22Å |
| 407 | M | 90.8 | Very high | 85.1 | Confident | 55 Ų | 55 | 73.3 Ų | 73.3 | 27% | 0.271 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.9 | -34.8 | 178 | -70.2 | -62.2 | -64.1 | 0 | 0 | 113.1 | K403 K404 R405 D411 K416 V419 | K403-M407 WeakPolarHBondContact O-CB 3.46Å; K403-M407 WeakPolarHBondContact O-CG 3.24Å; K403-M407 PolarHBondContact O-N 3.01Å; K404-M407 PolarHBondContact O-N 3.29Å; K404-M407 VanDerWaalsContact O-N 3.12Å; R405-M407 VanDerWaalsContact C-N 3.32Å; R405-M407 PolarHBondContact O-N 2.94Å; M407-D411 PolarHBondContact O-N 3.42Å; M407-D411 VanDerWaalsContact O-N 3.1Å; M407-K416 HydrophobicContact CE-CG 3.79Å; M407-V419 HydrophobicContact CE-CG2 3.92Å; M407-V419 HydrophobicContact SD-CG1 3.99Å; M407-V419 HydrophobicContact SD-CG2 3.77Å |
| 408 | E | 87.1 | Confident | 85.6 | Confident | 78 Ų | 78 | 68.4 Ų | 68.4 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 172 | -67.5 | 165.4 | 173.1 | 0 | 0 | 111.8 | K404 R405 D411 L412 | K404-E408 WeakPolarHBondContact CE-OE1 3.37Å; K404-E408 VanDerWaalsContact CG-OE1 3.32Å; K404-E408 WeakPolarHBondContact CG-OE1 3.3Å; K404-E408 IonicContact NZ-OE1 3.17Å; K404-E408 WeakPolarHBondContact O-CG 3.33Å; K404-E408 PolarHBondContact O-N 2.65Å; K404-E408 VanDerWaalsContact O-N 3.08Å; R405-E408 WeakPolarHBondContact CD-OE2 3.46Å; R405-E408 IonicContact NH1-OE2 3.25Å; R405-E408 PolarHBondContact O-N 2.83Å; E408-D411 WeakPolarHBondContact O-CA 3.22Å; E408-D411 WeakPolarHBondContact O-CB 3.44Å; E408-D411 PolarHBondContact O-N 2.91Å; E408-D411 VanDerWaalsContact O-N 3.11Å; E408-L412 PolarHBondContact O-N 3.47Å; E408-L412 VanDerWaalsContact O-N 3.11Å |
| 409 | V | 90.7 | Very high | 86.1 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.6 | -35.7 | -178.2 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | V388 R405 V406 D411 L412 V413 A437 I440 V441 | V388-V409 HydrophobicContact CG1-CG1 4.38Å; R405-V409 HydrophobicContact CG-CG2 4.34Å; R405-V409 WeakPolarHBondContact O-CB 3.5Å; R405-V409 WeakPolarHBondContact O-CG2 3.4Å; R405-V409 PolarHBondContact O-N 3.32Å; V406-V409 PolarHBondContact O-N 3.2Å; V409-D411 VanDerWaalsContact C-N 3.27Å; V409-D411 PolarHBondContact O-N 2.82Å; V409-L412 PolarHBondContact O-N 3.35Å; V409-V413 PolarHBondContact O-N 3.18Å; V409-A437 HydrophobicContact CG1-CB 3.79Å; V409-A437 WeakPolarHBondContact CG1-O 3.05Å; V409-I440 HydrophobicContact CG1-CD1 4.2Å; V409-I440 HydrophobicContact CG1-CG1 3.76Å; V409-V441 HydrophobicContact CG1-CB 4.46Å; V409-V441 HydrophobicContact CG2-CG2 4.34Å |
| 410 | L | 92.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.9 | -25.1 | 170.5 | -70.1 | 174.5 | 0 | 0 | 0 | 112.7 | V384 V388 V406 V413 G414 L415 K416 A437 | V384-L410 HydrophobicContact CG1-CD1 3.94Å; V384-L410 HydrophobicContact CG1-CD2 3.39Å; V384-L410 HydrophobicContact CG1-CG 4.34Å; V388-L410 HydrophobicContact CG2-CD2 4.12Å; V406-L410 HydrophobicContact CG1-CD1 3.79Å; V406-L410 HydrophobicContact CG1-CG 4.28Å; V406-L410 VanDerWaalsContact O-CB 3.31Å; V406-L410 WeakPolarHBondContact O-CB 3.03Å; V406-L410 WeakPolarHBondContact O-CG 3.29Å; V406-L410 PolarHBondContact O-N 3.48Å; L410-V413 HydrophobicContact CD2-CG2 4.42Å; L410-G414 PolarHBondContact O-N 3.27Å; L410-L415 HydrophobicContact CD2-CB 3.91Å; L410-L415 CarbonylContact O-C 3.57Å; L410-L415 WeakPolarHBondContact O-CA 3.44Å; L410-L415 PolarHBondContact O-N 2.91Å; L410-K416 HydrophobicContact CB-CB 4.47Å; L410-K416 PolarHBondContact O-N 3.17Å; L410-A437 HydrophobicContact CD2-CB 4.42Å |
| 411 | D | 89.8 | Confident | 87.6 | Confident | 86 Ų | 86 | 61 Ų | 61 | 46% | 0.46 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65 | -54.1 | 169.2 | -133.7 | -3.3 | 0 | 0 | 0 | 110.3 | M407 E408 V409 V413 G414 K416 | M407-D411 PolarHBondContact O-N 3.42Å; M407-D411 VanDerWaalsContact O-N 3.1Å; E408-D411 WeakPolarHBondContact O-CA 3.22Å; E408-D411 WeakPolarHBondContact O-CB 3.44Å; E408-D411 PolarHBondContact O-N 2.91Å; E408-D411 VanDerWaalsContact O-N 3.11Å; V409-D411 VanDerWaalsContact C-N 3.27Å; V409-D411 PolarHBondContact O-N 2.82Å; D411-V413 VanDerWaalsContact C-N 3.31Å; D411-V413 PolarHBondContact O-N 3.43Å; D411-G414 PolarHBondContact O-N 2.98Å; D411-K416 HydrophobicContact CB-CD 3.88Å; D411-K416 WeakPolarHBondContact OD1-CD 3.42Å; D411-K416 IonicContact OD1-NZ 3.58Å; D411-K416 PolarHBondContact OD1-NZ 3.04Å; D411-K416 WeakPolarHBondContact OD2-CD 3.13Å; D411-K416 IonicContact OD2-NZ 3.06Å; D411-K416 PolarHBondContact OD2-NZ 2.91Å |
| 412 | L | 85.6 | Confident | 87.8 | Confident | 34 Ų | 34 | 60.9 Ų | 60.9 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.2 | -41.4 | -176.2 | -179.6 | 59.4 | 0 | 0 | 0 | 113.1 | E408 V409 I440 I471 | E408-L412 PolarHBondContact O-N 3.47Å; E408-L412 VanDerWaalsContact O-N 3.11Å; V409-L412 PolarHBondContact O-N 3.35Å; L412-I440 HydrophobicContact CD2-CD1 3.88Å; L412-I471 HydrophobicContact CD2-CG1 4.29Å |
| 413 | V | 91.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -1.2 | 177.4 | -50.6 | 0 | 0 | 0 | 0 | 114.3 | V409 L410 D411 L415 R433 I436 A437 I440 L467 | V409-V413 PolarHBondContact O-N 3.18Å; L410-V413 HydrophobicContact CD2-CG2 4.42Å; D411-V413 VanDerWaalsContact C-N 3.31Å; D411-V413 PolarHBondContact O-N 3.43Å; V413-L415 HydrophobicContact CG2-CB 3.99Å; V413-L415 HydrophobicContact CG2-CD1 3.99Å; V413-L415 HydrophobicContact CG2-CG 3.93Å; V413-R433 HydrophobicContact CB-CB 4.14Å; V413-R433 HydrophobicContact CG2-CB 4.32Å; V413-R433 WeakPolarHBondContact O-CD 3.44Å; V413-R433 PolarHBondContact O-NH1 3.46Å; V413-I436 HydrophobicContact CG1-CG2 4.14Å; V413-A437 HydrophobicContact CG1-CB 4.01Å; V413-A437 HydrophobicContact CG2-CB 3.95Å; V413-I440 HydrophobicContact CG1-CD1 4.21Å; V413-L467 HydrophobicContact CB-CD1 4.49Å; V413-L467 HydrophobicContact CB-CD2 4.02Å; V413-L467 HydrophobicContact CG1-CD1 4.2Å; V413-L467 HydrophobicContact CG1-CD2 4.02Å |
| 414 | G | 88.1 | Confident | 87.1 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 40% | 0.402 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 10.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | L410 D411 H417 | L410-G414 PolarHBondContact O-N 3.27Å; D411-G414 PolarHBondContact O-N 2.98Å; G414-H417 PolarHBondContact O-CE1 3.24Å; G414-H417 VanDerWaalsContact O-CE1 3.28Å |
| 415 | L | 92.2 | Very high | 86.7 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | trans | -107.2 | 10.1 | -172.8 | -64 | -178.1 | 0 | 0 | 0 | 115.2 | L410 V413 H417 K418 E430 R433 V434 | L410-L415 HydrophobicContact CD2-CB 3.91Å; L410-L415 CarbonylContact O-C 3.57Å; L410-L415 WeakPolarHBondContact O-CA 3.44Å; L410-L415 PolarHBondContact O-N 2.91Å; V413-L415 HydrophobicContact CG2-CB 3.99Å; V413-L415 HydrophobicContact CG2-CD1 3.99Å; V413-L415 HydrophobicContact CG2-CG 3.93Å; L415-H417 PolarHBondContact O-N 2.89Å; L415-K418 HydrophobicContact CD2-CD 4.48Å; L415-K418 PolarHBondContact O-N 3.46Å; L415-E430 HydrophobicContact CD2-CB 4.14Å; L415-E430 HydrophobicContact CD2-CG 3.97Å; L415-R433 HydrophobicContact CD1-CB 3.66Å; L415-R433 HydrophobicContact CG-CB 4.07Å; L415-V434 HydrophobicContact CD1-CB 4.37Å; L415-V434 HydrophobicContact CD1-CG2 3.36Å | ||
| 416 | K | 85.2 | Confident | 86.3 | Confident | 95 Ų | 95 | 54.2 Ų | 54.2 | 41% | 0.413 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -16.2 | -179.4 | -176.9 | 173.3 | 170.4 | -171.1 | 0 | 115.2 | M407 L410 D411 V419 | M407-K416 HydrophobicContact CE-CG 3.79Å; L410-K416 HydrophobicContact CB-CB 4.47Å; L410-K416 PolarHBondContact O-N 3.17Å; D411-K416 HydrophobicContact CB-CD 3.88Å; D411-K416 WeakPolarHBondContact OD1-CD 3.42Å; D411-K416 IonicContact OD1-NZ 3.58Å; D411-K416 PolarHBondContact OD1-NZ 3.04Å; D411-K416 WeakPolarHBondContact OD2-CD 3.13Å; D411-K416 IonicContact OD2-NZ 3.06Å; D411-K416 PolarHBondContact OD2-NZ 2.91Å; K416-V419 WeakPolarHBondContact O-CG2 3.44Å |
| 417 | H | 85.2 | Confident | 85.8 | Confident | 138 Ų | 138 | 57.1 Ų | 57.1 | 64% | 0.639 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -20.5 | 172.6 | 62.1 | -86.4 | 0 | 0 | 0 | 113.2 | G414 L415 | G414-H417 PolarHBondContact O-CE1 3.24Å; G414-H417 VanDerWaalsContact O-CE1 3.28Å; L415-H417 PolarHBondContact O-N 2.89Å |
| 418 | K | 88.1 | Confident | 85 | Confident | 46 Ų | 46 | 55.3 Ų | 55.3 | 20% | 0.2 | 29% | 0.285 | C | S | . | . | trans | -93.4 | 16.2 | -179.2 | -59.6 | -153.5 | 173.1 | -172 | 0 | 114.7 | V384 L415 R420 V421 L426 E430 | V384-K418 WeakPolarHBondContact CB-O 3.25Å; V384-K418 WeakPolarHBondContact CG2-O 3.32Å; L415-K418 HydrophobicContact CD2-CD 4.48Å; L415-K418 PolarHBondContact O-N 3.46Å; K418-R420 PolarHBondContact O-N 3.04Å; K418-V421 HydrophobicContact CB-CB 4.12Å; K418-V421 HydrophobicContact CB-CG2 3.79Å; K418-V421 HydrophobicContact CG-CG2 4.25Å; K418-V421 VanDerWaalsContact O-CB 3.27Å; K418-V421 WeakPolarHBondContact O-CB 3.47Å; K418-V421 WeakPolarHBondContact O-CG2 3.46Å; K418-V421 PolarHBondContact O-N 3.33Å; K418-L426 HydrophobicContact CB-CD2 4.33Å; K418-L426 HydrophobicContact CD-CD2 3.59Å; K418-E430 WeakPolarHBondContact CE-OE1 3.4Å; K418-E430 IonicContact NZ-OE1 2.66Å; K418-E430 PolarHBondContact NZ-OE1 2.88Å; K418-E430 IonicContact NZ-OE2 2.88Å; K418-E430 PolarHBondContact NZ-OE2 3.33Å | ||
| 419 | V | 85.9 | Confident | 84.6 | Confident | 29 Ų | 29 | 51.8 Ų | 51.8 | 18% | 0.176 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -39.1 | -44.8 | -177.7 | -171.3 | 0 | 0 | 0 | 0 | 114.7 | Y385 M407 K416 | Y385-V419 WeakPolarHBondContact CB-O 3.32Å; Y385-V419 HydrophobicContact CD2-CG1 3.88Å; Y385-V419 HydrophobicContact CG-CG1 4.05Å; Y385-V419 PolarHBondContact N-O 3.37Å; M407-V419 HydrophobicContact CE-CG2 3.92Å; M407-V419 HydrophobicContact SD-CG1 3.99Å; M407-V419 HydrophobicContact SD-CG2 3.77Å; K416-V419 WeakPolarHBondContact O-CG2 3.44Å |
| 420 | R | 84.9 | Confident | 84.5 | Confident | 218 Ų | 218 | 53.5 Ų | 53.5 | 82% | 0.823 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 0.1 | -173.9 | -63.5 | -176.4 | 179.4 | 178.5 | 0.2 | 114.8 | T383 K418 | T383-R420 WeakPolarHBondContact CG2-O 3.08Å; K418-R420 PolarHBondContact O-N 3.04Å |
| 421 | V | 88.1 | Confident | 84.3 | Confident | 35 Ų | 35 | 56 Ų | 56 | 21% | 0.212 | 29% | 0.288 | C | S | . | . | trans | -75.1 | 150.1 | -178.8 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | T383 V384 K418 E425 L426 | T383-V421 CarbonylContact C-O 3.56Å; T383-V421 WeakPolarHBondContact CA-O 3.25Å; V384-V421 HydrophobicContact CG2-CB 4.34Å; V384-V421 WeakPolarHBondContact CG2-O 3.17Å; V384-V421 PolarHBondContact N-O 2.93Å; K418-V421 HydrophobicContact CB-CB 4.12Å; K418-V421 HydrophobicContact CB-CG2 3.79Å; K418-V421 HydrophobicContact CG-CG2 4.25Å; K418-V421 VanDerWaalsContact O-CB 3.27Å; K418-V421 WeakPolarHBondContact O-CB 3.47Å; K418-V421 WeakPolarHBondContact O-CG2 3.46Å; K418-V421 PolarHBondContact O-N 3.33Å; V421-E425 HydrophobicContact CG1-CB 3.46Å; V421-E425 VanDerWaalsContact CG1-CB 3.46Å; V421-E425 HydrophobicContact CG1-CG 4.49Å; V421-L426 HydrophobicContact CB-CD2 4.27Å; V421-L426 HydrophobicContact CG1-CD2 3.64Å; V421-L426 HydrophobicContact CG1-CG 4.16Å | ||
| 422 | F | 83.4 | Confident | 84.3 | Confident | 72 Ų | 72 | 51.9 Ų | 51.9 | 32% | 0.316 | 27% | 0.266 | S | S | . | . | trans | -93.8 | 154.1 | 174.5 | -70.7 | -90 | 0 | 0 | 0 | 111.7 | K382 T383 S424 E425 | K382-F422 VanDerWaalsContact C-CD1 3.43Å; K382-F422 WeakPolarHBondContact O-CD1 3.25Å; T383-F422 HydrophobicContact CG2-CD1 4.34Å; T383-F422 HydrophobicContact CG2-CD2 4.37Å; T383-F422 HydrophobicContact CG2-CE1 3.87Å; T383-F422 HydrophobicContact CG2-CE2 3.91Å; T383-F422 HydrophobicContact CG2-CZ 3.63Å; F422-S424 PolarHBondContact O-N 3.4Å; F422-E425 HydrophobicContact CB-CG 4.47Å; F422-E425 PolarHBondContact N-OE2 3.22Å; F422-E425 WeakPolarHBondContact O-CB 3.45Å; F422-E425 PolarHBondContact O-N 3.41Å | ||
| 423 | P | 77.8 | Confident | 84.6 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -50.8 | -29.4 | 178.1 | -33.9 | 37.8 | 0 | 0 | 0 | 116.1 | L378 K382 E425 Q431 | L378-P423 HydrophobicContact CB-CB 3.93Å; L378-P423 HydrophobicContact CB-CG 3.9Å; L378-P423 HydrophobicContact CD1-CB 3.8Å; L378-P423 HydrophobicContact CD1-CG 4.12Å; K382-P423 WeakPolarHBondContact O-CD 3.28Å; P423-E425 PolarHBondContact O-N 2.69Å; P423-Q431 VanDerWaalsContact O-CD 3.3Å; P423-Q431 PolarHBondContact O-NE2 3.05Å |
| 424 | S | 74.6 | Confident | 84.7 | Confident | 72 Ų | 72 | 51.9 Ų | 51.9 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -73.9 | -7.2 | 176.2 | 50.5 | 0 | 0 | 0 | 0 | 114.9 | F422 | F422-S424 PolarHBondContact O-N 3.4Š|
| 425 | E | 77.9 | Confident | 84.9 | Confident | 119 Ų | 119 | 50.2 Ų | 50.2 | 56% | 0.556 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -112.8 | 14.2 | -176.7 | -57.3 | 171.2 | 143.4 | 0 | 0 | 111.4 | V421 F422 P423 | V421-E425 HydrophobicContact CG1-CB 3.46Å; V421-E425 VanDerWaalsContact CG1-CB 3.46Å; V421-E425 HydrophobicContact CG1-CG 4.49Å; F422-E425 HydrophobicContact CB-CG 4.47Å; F422-E425 PolarHBondContact N-OE2 3.22Å; F422-E425 WeakPolarHBondContact O-CB 3.45Å; F422-E425 PolarHBondContact O-N 3.41Å; P423-E425 PolarHBondContact O-N 2.69Å |
| 426 | L | 80.8 | Confident | 84.9 | Confident | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -116.1 | 146.9 | -176.8 | -63.4 | 178.7 | 0 | 0 | 0 | 111.4 | V384 K418 V421 E430 Q431 V434 | V384-L426 HydrophobicContact CG2-CD1 3.73Å; V384-L426 HydrophobicContact CG2-CD2 4.17Å; V384-L426 HydrophobicContact CG2-CG 4.41Å; K418-L426 HydrophobicContact CB-CD2 4.33Å; K418-L426 HydrophobicContact CD-CD2 3.59Å; V421-L426 HydrophobicContact CB-CD2 4.27Å; V421-L426 HydrophobicContact CG1-CD2 3.64Å; V421-L426 HydrophobicContact CG1-CG 4.16Å; L426-E430 WeakPolarHBondContact CA-OE2 3.3Å; L426-E430 HydrophobicContact CB-CB 3.9Å; L426-E430 HydrophobicContact CD2-CB 4.25Å; L426-E430 HydrophobicContact CG-CB 4.5Å; L426-Q431 HydrophobicContact CB-CG 3.63Å; L426-Q431 HydrophobicContact CD1-CG 4.25Å; L426-Q431 PolarHBondContact O-NE2 3.43Å; L426-V434 HydrophobicContact CD1-CG2 3.57Å |
| 427 | S | 81.6 | Confident | 85.3 | Confident | 62 Ų | 62 | 45.5 Ų | 45.5 | 43% | 0.434 | 23% | 0.226 | S | C | . | . | trans | -65 | 168.3 | 171.5 | 88.8 | 0 | 0 | 0 | 0 | 112.4 | G429 E430 Q431 | S427-G429 PolarHBondContact O-N 3.02Å; S427-G429 PolarHBondContact OG-N 3.01Å; S427-E430 PolarHBondContact N-OE2 2.81Å; S427-E430 PolarHBondContact O-N 3.03Å; S427-E430 VanDerWaalsContact OG-CG 3.31Å; S427-E430 WeakPolarHBondContact OG-CG 3.4Å; S427-E430 PolarHBondContact OG-N 3.42Å; S427-E430 VanDerWaalsContact OG-N 3.11Å; S427-Q431 WeakPolarHBondContact O-CG 3.46Å; S427-Q431 PolarHBondContact O-N 2.88Å | ||
| 428 | G | 74.1 | Confident | 85.6 | Confident | 17 Ų | 17 | 41.4 Ų | 41.4 | 18% | 0.175 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.7 | -46.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F376 Q431 Q432 | F376-G428 VanDerWaalsContact CZ-O 3.27Å; F376-G428 WeakPolarHBondContact CZ-O 3Å; G428-Q431 PolarHBondContact O-N 2.87Å; G428-Q432 PolarHBondContact O-N 3.32Å |
| 429 | G | 79 | Confident | 85.8 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.7 | -39.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | S427 Q432 R433 | S427-G429 PolarHBondContact O-N 3.02Å; S427-G429 PolarHBondContact OG-N 3.01Å; G429-Q432 PolarHBondContact O-N 3.49Å; G429-R433 WeakPolarHBondContact O-CB 3.48Å; G429-R433 VanDerWaalsContact O-CG 3.29Å; G429-R433 WeakPolarHBondContact O-CG 3.43Å; G429-R433 PolarHBondContact O-N 2.8Å |
| 430 | E | 88.9 | Confident | 86 | Confident | 38 Ų | 38 | 38.8 Ų | 38.8 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.7 | -40 | 176.9 | -68.6 | 176.8 | 159.1 | 0 | 0 | 112.4 | L415 K418 L426 S427 Q432 R433 V434 | L415-E430 HydrophobicContact CD2-CB 4.14Å; L415-E430 HydrophobicContact CD2-CG 3.97Å; K418-E430 WeakPolarHBondContact CE-OE1 3.4Å; K418-E430 IonicContact NZ-OE1 2.66Å; K418-E430 PolarHBondContact NZ-OE1 2.88Å; K418-E430 IonicContact NZ-OE2 2.88Å; K418-E430 PolarHBondContact NZ-OE2 3.33Å; L426-E430 WeakPolarHBondContact CA-OE2 3.3Å; L426-E430 HydrophobicContact CB-CB 3.9Å; L426-E430 HydrophobicContact CD2-CB 4.25Å; L426-E430 HydrophobicContact CG-CB 4.5Å; S427-E430 PolarHBondContact N-OE2 2.81Å; S427-E430 PolarHBondContact O-N 3.03Å; S427-E430 VanDerWaalsContact OG-CG 3.31Å; S427-E430 WeakPolarHBondContact OG-CG 3.4Å; S427-E430 PolarHBondContact OG-N 3.42Å; S427-E430 VanDerWaalsContact OG-N 3.11Å; E430-Q432 VanDerWaalsContact C-N 3.3Å; E430-Q432 PolarHBondContact O-N 3.35Å; E430-R433 CarbonylContact O-C 3.51Å; E430-R433 WeakPolarHBondContact O-CB 3.44Å; E430-R433 PolarHBondContact O-N 3.43Å; E430-V434 WeakPolarHBondContact O-CG2 3.3Å; E430-V434 PolarHBondContact O-N 3.05Å |
| 431 | Q | 87.7 | Confident | 86.4 | Confident | 52 Ų | 52 | 28.5 Ų | 28.5 | 24% | 0.243 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 173 | -69.7 | 179.2 | 51.8 | 0 | 0 | 111.2 | F376 L378 P423 L426 S427 G428 V434 S435 | F376-Q431 HydrophobicContact CD2-CB 3.37Å; F376-Q431 HydrophobicContact CD2-CG 4.32Å; F376-Q431 HydrophobicContact CE2-CB 3.56Å; F376-Q431 HydrophobicContact CE2-CG 4.49Å; F376-Q431 HydrophobicContact CG-CB 4.07Å; F376-Q431 HydrophobicContact CZ-CB 4.41Å; L378-Q431 HydrophobicContact CD1-CB 3.77Å; L378-Q431 HydrophobicContact CD1-CG 3.95Å; P423-Q431 VanDerWaalsContact O-CD 3.3Å; P423-Q431 PolarHBondContact O-NE2 3.05Å; L426-Q431 HydrophobicContact CB-CG 3.63Å; L426-Q431 HydrophobicContact CD1-CG 4.25Å; L426-Q431 PolarHBondContact O-NE2 3.43Å; S427-Q431 WeakPolarHBondContact O-CG 3.46Å; S427-Q431 PolarHBondContact O-N 2.88Å; G428-Q431 PolarHBondContact O-N 2.87Å; Q431-V434 PolarHBondContact O-N 3.25Å; Q431-S435 PolarHBondContact O-N 2.8Å |
| 432 | Q | 89 | Confident | 86.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.2 | -37.3 | 173 | -165.8 | 67.9 | -65.5 | 0 | 0 | 112.3 | F376 G428 G429 E430 V434 S435 I436 P452 L456 I464 | F376-Q432 HydrophobicContact CD1-CB 4.1Å; F376-Q432 HydrophobicContact CD1-CG 4.44Å; F376-Q432 HydrophobicContact CE1-CB 3.72Å; F376-Q432 HydrophobicContact CE1-CG 4.19Å; F376-Q432 HydrophobicContact CZ-CB 4.31Å; G428-Q432 PolarHBondContact O-N 3.32Å; G429-Q432 PolarHBondContact O-N 3.49Å; E430-Q432 VanDerWaalsContact C-N 3.3Å; E430-Q432 PolarHBondContact O-N 3.35Å; Q432-V434 VanDerWaalsContact C-N 3.3Å; Q432-V434 PolarHBondContact O-N 3.06Å; Q432-S435 WeakPolarHBondContact O-CA 3.16Å; Q432-S435 VanDerWaalsContact O-CB 3.3Å; Q432-S435 WeakPolarHBondContact O-CB 3.38Å; Q432-S435 PolarHBondContact O-N 3.22Å; Q432-S435 VanDerWaalsContact O-N 3.11Å; Q432-S435 PolarHBondContact OE1-OG 3.43Å; Q432-S435 VanDerWaalsContact OE1-OG 3.11Å; Q432-I436 HydrophobicContact CG-CD1 4.23Å; Q432-I436 WeakPolarHBondContact O-CB 3.29Å; Q432-I436 WeakPolarHBondContact O-CG1 3.35Å; Q432-I436 PolarHBondContact O-N 3.45Å; Q432-P452 PolarHBondContact NE2-O 3.01Å; Q432-L456 HydrophobicContact CB-CD1 4.4Å; Q432-L456 HydrophobicContact CG-CD1 4.48Å; Q432-I464 HydrophobicContact CB-CD1 4.02Å; Q432-I464 HydrophobicContact CG-CD1 3.96Å |
| 433 | R | 93 | Very high | 86.1 | Confident | 33 Ų | 33 | 29.9 Ų | 29.9 | 13% | 0.125 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.7 | -36.4 | 170.7 | -73.6 | 163.8 | 178.3 | -87.6 | 9.6 | 111.7 | V413 L415 G429 E430 A437 E463 I464 L467 | V413-R433 HydrophobicContact CB-CB 4.14Å; V413-R433 HydrophobicContact CG2-CB 4.32Å; V413-R433 WeakPolarHBondContact O-CD 3.44Å; V413-R433 PolarHBondContact O-NH1 3.46Å; L415-R433 HydrophobicContact CD1-CB 3.66Å; L415-R433 HydrophobicContact CG-CB 4.07Å; G429-R433 WeakPolarHBondContact O-CB 3.48Å; G429-R433 VanDerWaalsContact O-CG 3.29Å; G429-R433 WeakPolarHBondContact O-CG 3.43Å; G429-R433 PolarHBondContact O-N 2.8Å; E430-R433 CarbonylContact O-C 3.51Å; E430-R433 WeakPolarHBondContact O-CB 3.44Å; E430-R433 PolarHBondContact O-N 3.43Å; R433-A437 VanDerWaalsContact O-CB 3.31Å; R433-A437 WeakPolarHBondContact O-CB 3.21Å; R433-A437 PolarHBondContact O-N 2.9Å; R433-E463 IonicContact CZ-OE2 2.9Å; R433-E463 IonicContact NE-OE2 2.96Å; R433-E463 IonicContact NH2-OE1 2.69Å; R433-E463 IonicContact NH2-OE2 3.65Å; R433-E463 PolarHBondContact NH2-OE2 3.43Å; R433-I464 HydrophobicContact CG-CD1 3.9Å; R433-L467 HydrophobicContact CG-CD2 4.03Å |
| 434 | V | 93.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.9 | -41 | 170.1 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | L378 V384 N387 V388 L415 L426 E430 Q431 Q432 A437 R438 | L378-V434 HydrophobicContact CD1-CB 4.14Å; L378-V434 HydrophobicContact CD1-CG1 4.27Å; L378-V434 HydrophobicContact CD2-CB 4.03Å; L378-V434 HydrophobicContact CD2-CG1 3.63Å; V384-V434 HydrophobicContact CG1-CG2 4.09Å; V384-V434 HydrophobicContact CG2-CG2 3.94Å; N387-V434 HydrophobicContact CB-CG1 4.07Å; V388-V434 HydrophobicContact CG2-CG1 4.24Å; L415-V434 HydrophobicContact CD1-CB 4.37Å; L415-V434 HydrophobicContact CD1-CG2 3.36Å; L426-V434 HydrophobicContact CD1-CG2 3.57Å; E430-V434 WeakPolarHBondContact O-CG2 3.3Å; E430-V434 PolarHBondContact O-N 3.05Å; Q431-V434 PolarHBondContact O-N 3.25Å; Q432-V434 VanDerWaalsContact C-N 3.3Å; Q432-V434 PolarHBondContact O-N 3.06Å; V434-A437 WeakPolarHBondContact O-CB 3.31Å; V434-A437 PolarHBondContact O-N 2.95Å; V434-R438 HydrophobicContact CG1-CG 4.27Å; V434-R438 WeakPolarHBondContact O-CB 3.07Å; V434-R438 WeakPolarHBondContact O-CG 3.42Å; V434-R438 PolarHBondContact O-N 3.18Å |
| 435 | S | 91.4 | Very high | 87 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.028 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58 | -48.3 | 175.8 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | Q431 Q432 R438 A439 | Q431-S435 PolarHBondContact O-N 2.8Å; Q432-S435 WeakPolarHBondContact O-CA 3.16Å; Q432-S435 VanDerWaalsContact O-CB 3.3Å; Q432-S435 WeakPolarHBondContact O-CB 3.38Å; Q432-S435 PolarHBondContact O-N 3.22Å; Q432-S435 VanDerWaalsContact O-N 3.11Å; Q432-S435 PolarHBondContact OE1-OG 3.43Å; Q432-S435 VanDerWaalsContact OE1-OG 3.11Å; S435-R438 WeakPolarHBondContact O-CB 3.29Å; S435-R438 PolarHBondContact O-N 2.78Å; S435-A439 PolarHBondContact O-N 3.36Å |
| 436 | I | 93.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 172.4 | -67.7 | 164 | 0 | 0 | 0 | 110.8 | V372 V413 Q432 R438 A439 I440 I464 L467 L468 I471 | V372-I436 HydrophobicContact CG1-CG1 4.18Å; V372-I436 HydrophobicContact CG2-CB 4.48Å; V372-I436 HydrophobicContact CG2-CG1 3.85Å; V413-I436 HydrophobicContact CG1-CG2 4.14Å; Q432-I436 HydrophobicContact CG-CD1 4.23Å; Q432-I436 WeakPolarHBondContact O-CB 3.29Å; Q432-I436 WeakPolarHBondContact O-CG1 3.35Å; Q432-I436 PolarHBondContact O-N 3.45Å; I436-R438 VanDerWaalsContact C-N 3.29Å; I436-R438 PolarHBondContact O-N 3.28Å; I436-A439 WeakPolarHBondContact O-CB 3.49Å; I436-A439 PolarHBondContact O-N 3.14Å; I436-I440 HydrophobicContact CG2-CD1 4.14Å; I436-I440 HydrophobicContact CG2-CG2 4.44Å; I436-I440 WeakPolarHBondContact O-CG1 3.25Å; I436-I440 PolarHBondContact O-N 3.24Å; I436-I464 HydrophobicContact CD1-CD1 3.76Å; I436-I464 HydrophobicContact CD1-CG2 4.14Å; I436-L467 HydrophobicContact CD1-CD2 3.84Å; I436-L467 HydrophobicContact CD1-CG 4.48Å; I436-L467 HydrophobicContact CG2-CD2 4.09Å; I436-L467 HydrophobicContact CG2-CG 4.36Å; I436-L468 HydrophobicContact CD1-CD2 4.44Å; I436-I471 HydrophobicContact CG2-CD1 3.55Å |
| 437 | A | 93.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.9 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V388 V409 L410 V413 R433 V434 A439 I440 V441 | V388-A437 HydrophobicContact CG1-CB 4.34Å; V388-A437 HydrophobicContact CG2-CB 3.69Å; V409-A437 HydrophobicContact CG1-CB 3.79Å; V409-A437 WeakPolarHBondContact CG1-O 3.05Å; L410-A437 HydrophobicContact CD2-CB 4.42Å; V413-A437 HydrophobicContact CG1-CB 4.01Å; V413-A437 HydrophobicContact CG2-CB 3.95Å; R433-A437 VanDerWaalsContact O-CB 3.31Å; R433-A437 WeakPolarHBondContact O-CB 3.21Å; R433-A437 PolarHBondContact O-N 2.9Å; V434-A437 WeakPolarHBondContact O-CB 3.31Å; V434-A437 PolarHBondContact O-N 2.95Å; A437-A439 VanDerWaalsContact C-N 3.34Å; A437-I440 PolarHBondContact O-N 3.45Å; A437-V441 WeakPolarHBondContact O-CB 3.5Å; A437-V441 PolarHBondContact O-N 2.65Å |
| 438 | R | 91.6 | Very high | 88.8 | Confident | 52 Ų | 52 | 19.9 Ų | 19.9 | 20% | 0.196 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.8 | -35.7 | 176 | -69.8 | 171.8 | 78.3 | -142.1 | 7.5 | 112.6 | K377 N387 V388 V434 S435 I436 | K377-R438 PolarHBondContact O-NH1 3.36Å; K377-R438 PolarHBondContact O-NH2 2.92Å; N387-R438 HydrophobicContact CB-CG 4.46Å; N387-R438 WeakPolarHBondContact O-CG 3.49Å; N387-R438 PolarHBondContact O-NE 2.91Å; V388-R438 HydrophobicContact CB-CG 4.46Å; V388-R438 HydrophobicContact CG2-CG 3.94Å; V434-R438 HydrophobicContact CG1-CG 4.27Å; V434-R438 WeakPolarHBondContact O-CB 3.07Å; V434-R438 WeakPolarHBondContact O-CG 3.42Å; V434-R438 PolarHBondContact O-N 3.18Å; S435-R438 WeakPolarHBondContact O-CB 3.29Å; S435-R438 PolarHBondContact O-N 2.78Å; I436-R438 VanDerWaalsContact C-N 3.29Å; I436-R438 PolarHBondContact O-N 3.28Å |
| 439 | A | 91.3 | Very high | 89.7 | Confident | 12 Ų | 12 | 19 Ų | 19 | 10% | 0.099 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -70.6 | -41.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V372 S435 I436 A437 P444 L447 | V372-A439 HydrophobicContact CG2-CB 3.86Å; S435-A439 PolarHBondContact O-N 3.36Å; I436-A439 WeakPolarHBondContact O-CB 3.49Å; I436-A439 PolarHBondContact O-N 3.14Å; A437-A439 VanDerWaalsContact C-N 3.34Å; A439-P444 WeakPolarHBondContact O-CG 3.39Å; A439-L447 HydrophobicContact CB-CD1 3.58Å |
| 440 | I | 91.8 | Very high | 90.3 | Very high | 8 Ų | 8 | 19.8 Ų | 19.8 | 4% | 0.041 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -92.4 | -7.2 | -173.3 | 73.8 | -174.3 | 0 | 0 | 0 | 115.4 | R405 V409 L412 V413 I436 A437 N442 T443 L447 I471 | R405-I440 PolarHBondContact NH2-O 3.22Å; V409-I440 HydrophobicContact CG1-CD1 4.2Å; V409-I440 HydrophobicContact CG1-CG1 3.76Å; L412-I440 HydrophobicContact CD2-CD1 3.88Å; V413-I440 HydrophobicContact CG1-CD1 4.21Å; I436-I440 HydrophobicContact CG2-CD1 4.14Å; I436-I440 HydrophobicContact CG2-CG2 4.44Å; I436-I440 WeakPolarHBondContact O-CG1 3.25Å; I436-I440 PolarHBondContact O-N 3.24Å; A437-I440 PolarHBondContact O-N 3.45Å; I440-N442 PolarHBondContact O-N 3.25Å; I440-T443 PolarHBondContact O-N 3.12Å; I440-L447 HydrophobicContact CG2-CD1 4.04Å; I440-L447 HydrophobicContact CG2-CD2 3.84Å; I440-I471 HydrophobicContact CD1-CD1 3.72Å; I440-I471 HydrophobicContact CD1-CG1 4.09Å; I440-I471 HydrophobicContact CG2-CD1 4.23Å; I440-I471 HydrophobicContact CG2-CG2 4.2Å |
| 441 | V | 91.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -37.6 | -174.7 | 69.1 | 0 | 0 | 0 | 0 | 113.1 | V388 A391 M392 R405 V406 V409 A437 T443 | V388-V441 HydrophobicContact CG1-CB 3.76Å; V388-V441 HydrophobicContact CG1-CG1 4.36Å; V388-V441 HydrophobicContact CG1-CG2 3.68Å; A391-V441 HydrophobicContact CB-CG1 3.81Å; M392-V441 HydrophobicContact CG-CG1 4.23Å; M392-V441 HydrophobicContact CG-CG2 3.8Å; M392-V441 HydrophobicContact SD-CG2 3.56Å; M392-V441 VanDerWaalsContact SD-CG2 3.56Å; R405-V441 HydrophobicContact CG-CG2 4.05Å; R405-V441 WeakPolarHBondContact CG-O 3.26Å; R405-V441 PolarHBondContact NE-O 2.92Å; V406-V441 HydrophobicContact CG2-CG2 4.22Å; V409-V441 HydrophobicContact CG1-CB 4.46Å; V409-V441 HydrophobicContact CG2-CG2 4.34Å; A437-V441 WeakPolarHBondContact O-CB 3.5Å; A437-V441 PolarHBondContact O-N 2.65Å; V441-T443 VanDerWaalsContact C-N 3.26Å; V441-T443 PolarHBondContact O-N 2.58Å |
| 442 | N | 84.3 | Confident | 90.2 | Very high | 37 Ų | 37 | 16.4 Ų | 16.4 | 20% | 0.198 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 12.9 | -179.9 | -75.3 | -24 | 0 | 0 | 0 | 114 | A391 M392 I395 I440 | A391-N442 PolarHBondContact O-ND2 3.46Å; M392-N442 WeakPolarHBondContact CG-OD1 3.32Å; I395-N442 WeakPolarHBondContact CD1-OD1 3.33Å; I440-N442 PolarHBondContact O-N 3.25Å |
| 443 | T | 82.4 | Confident | 90 | Very high | 99 Ų | 99 | 16.8 Ų | 16.8 | 61% | 0.607 | 9% | 0.086 | S | C | * | . | trans | 49.7 | 63.7 | -176.1 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | I440 V441 | I440-T443 PolarHBondContact O-N 3.12Å; V441-T443 VanDerWaalsContact C-N 3.26Å; V441-T443 PolarHBondContact O-N 2.58Å | ||
| 444 | P | 87.2 | Confident | 89 | Confident | 7 Ų | 7 | 15.7 Ų | 15.7 | 5% | 0.045 | 9% | 0.086 | C | C | . | . | trans | -69.1 | 147.1 | 178.9 | 33.1 | -37.5 | 0 | 0 | 0 | 111.2 | D368 G370 A439 V446 | D368-P444 CarbonylContact O-C 3.37Å; D368-P444 VanDerWaalsContact O-CA 3.29Å; D368-P444 WeakPolarHBondContact O-CA 3.07Å; D368-P444 VanDerWaalsContact O-CB 3.31Å; D368-P444 WeakPolarHBondContact O-CB 3.3Å; G370-P444 VanDerWaalsContact N-CB 3.28Å; A439-P444 WeakPolarHBondContact O-CG 3.39Å; P444-V446 VanDerWaalsContact C-N 3.33Å | ||
| 445 | K | 82.9 | Confident | 87.6 | Confident | 53 Ų | 53 | 20.8 Ų | 20.8 | 23% | 0.23 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -75.3 | -27.6 | 174.1 | -57.3 | 165.9 | -176.1 | 155.8 | 0 | 112.1 | M288 A350 D368 T477 | M288-K445 HydrophobicContact CE-CB 3.87Å; M288-K445 HydrophobicContact SD-CB 3.78Å; M288-K445 HydrophobicContact SD-CD 4.35Å; A350-K445 HydrophobicContact CB-CB 4.45Å; A350-K445 HydrophobicContact CB-CD 4.23Å; A350-K445 PolarHBondContact O-NZ 3.48Å; D368-K445 HydrophobicContact CB-CD 4.22Å; D368-K445 PolarHBondContact O-N 3.38Å; D368-K445 WeakPolarHBondContact OD2-CE 3.24Å; D368-K445 IonicContact OD2-NZ 3.18Å; D368-K445 PolarHBondContact OD2-NZ 2.81Å; K445-T477 WeakPolarHBondContact O-CB 3.24Å; K445-T477 PolarHBondContact O-N 2.95Å; K445-T477 PolarHBondContact O-OG1 3.01Å |
| 446 | V | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 127.6 | -179.9 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | M288 I289 A350 D368 V369 G370 P444 I448 T477 | M288-V446 HydrophobicContact CG-CG2 3.41Å; M288-V446 VanDerWaalsContact CG-CG2 3.41Å; M288-V446 HydrophobicContact SD-CG2 3.84Å; I289-V446 HydrophobicContact CD1-CG1 3.98Å; I289-V446 HydrophobicContact CD1-CG2 4.43Å; I289-V446 HydrophobicContact CG1-CG2 4.37Å; A350-V446 HydrophobicContact CB-CG2 4.09Å; D368-V446 PolarHBondContact O-N 3.4Å; V369-V446 CarbonylContact C-O 3.38Å; V369-V446 WeakPolarHBondContact CA-O 3.26Å; V369-V446 HydrophobicContact CG1-CB 4.43Å; V369-V446 HydrophobicContact CG2-CB 4.37Å; G370-V446 PolarHBondContact N-O 2.67Å; P444-V446 VanDerWaalsContact C-N 3.33Å; V446-I448 HydrophobicContact CG1-CD1 4.45Å; V446-I448 HydrophobicContact CG1-CG1 3.84Å; V446-T477 CarbonylContact C-O 3.55Å; V446-T477 WeakPolarHBondContact CA-O 3.29Å |
| 447 | L | 94.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 113.9 | 170.2 | -178 | 63.2 | 0 | 0 | 0 | 109.2 | V372 A439 I440 L468 I471 T476 T477 I478 V479 | V372-L447 HydrophobicContact CG2-CD1 3.95Å; A439-L447 HydrophobicContact CB-CD1 3.58Å; I440-L447 HydrophobicContact CG2-CD1 4.04Å; I440-L447 HydrophobicContact CG2-CD2 3.84Å; L447-L468 HydrophobicContact CD2-CD2 3.78Å; L447-I471 HydrophobicContact CD2-CD1 4.47Å; L447-I471 HydrophobicContact CD2-CG2 3.94Å; L447-T476 HydrophobicContact CB-CG2 3.75Å; L447-T477 PolarHBondContact N-O 2.88Å; L447-I478 HydrophobicContact CB-CG1 4.32Å; L447-I478 HydrophobicContact CD2-CD1 4.18Å; L447-I478 WeakPolarHBondContact O-CA 3.42Å; L447-V479 PolarHBondContact O-N 2.81Å |
| 448 | I | 94.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.2 | 177.7 | -51.2 | 173.3 | 0 | 0 | 0 | 108.8 | I332 M335 Y336 V369 G370 V371 V372 V446 V479 | I332-I448 HydrophobicContact CB-CG2 4.25Å; I332-I448 HydrophobicContact CD1-CG2 3.84Å; I332-I448 HydrophobicContact CG1-CG2 3.73Å; I332-I448 HydrophobicContact CG2-CG2 3.74Å; M335-I448 HydrophobicContact CB-CD1 3.56Å; M335-I448 HydrophobicContact CG-CD1 4.39Å; M335-I448 HydrophobicContact SD-CD1 4Å; Y336-I448 HydrophobicContact CD1-CD1 4.01Å; V369-I448 HydrophobicContact CG1-CD1 3.63Å; V369-I448 HydrophobicContact CG1-CG1 4.03Å; G370-I448 PolarHBondContact O-N 3.41Å; V371-I448 CarbonylContact C-O 3.37Å; V371-I448 WeakPolarHBondContact CA-O 3.3Å; V372-I448 PolarHBondContact N-O 2.9Å; V446-I448 HydrophobicContact CG1-CD1 4.45Å; V446-I448 HydrophobicContact CG1-CG1 3.84Å; I448-V479 CarbonylContact C-O 3.4Å; I448-V479 WeakPolarHBondContact CA-O 3.15Å |
| 449 | A | 92.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 110.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V372 P452 V479 M480 A481 | V372-A449 HydrophobicContact CB-CB 4.22Å; V372-A449 WeakPolarHBondContact O-CA 3.28Å; A449-P452 HydrophobicContact CB-CB 4.03Å; A449-P452 HydrophobicContact CB-CG 3.73Å; A449-V479 PolarHBondContact N-O 2.89Å; A449-M480 HydrophobicContact CB-CB 4.34Å; A449-M480 HydrophobicContact CB-CG 4.42Å; A449-M480 CarbonylContact O-C 3.28Å; A449-M480 VanDerWaalsContact O-CA 3.29Å; A449-M480 WeakPolarHBondContact O-CA 3.37Å; A449-A481 PolarHBondContact O-N 3.41Å |
| 450 | D | 91.5 | Very high | 82.8 | Confident | 18 Ų | 18 | 33.3 Ų | 33.3 | 10% | 0.096 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 101.4 | 177.9 | -155.9 | 9.1 | 0 | 0 | 0 | 108.4 | S329 I332 V372 Q374 | S329-D450 WeakPolarHBondContact CB-OD2 3.38Å; S329-D450 PolarHBondContact OG-OD1 3.31Å; S329-D450 PolarHBondContact OG-OD2 2.88Å; I332-D450 HydrophobicContact CD1-CB 4.4Å; V372-D450 PolarHBondContact O-N 2.91Å; Q374-D450 VanDerWaalsContact CA-O 3.27Å; Q374-D450 WeakPolarHBondContact CA-O 3.49Å; Q374-D450 WeakPolarHBondContact CB-O 3.43Å; Q374-D450 PolarHBondContact N-O 2.91Å |
| 451 | E | 87.9 | Confident | 82.2 | Confident | 19 Ų | 19 | 33.1 Ų | 33.1 | 9% | 0.089 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 49.5 | 56.9 | -176.1 | -156.8 | 72.1 | -111.2 | 0 | 0 | 114.7 | Q374 T453 G454 A481 T482 H483 | Q374-E451 HydrophobicContact CB-CB 4.32Å; Q374-E451 HydrophobicContact CG-CB 3.99Å; E451-T453 PolarHBondContact O-N 2.64Å; E451-G454 PolarHBondContact O-N 3.46Å; E451-A481 VanDerWaalsContact CA-O 3.27Å; E451-A481 WeakPolarHBondContact CA-O 3.2Å; E451-A481 PolarHBondContact N-O 3.48Å; E451-T482 VanDerWaalsContact OE1-CA 3.24Å; E451-T482 WeakPolarHBondContact OE1-CA 3.37Å; E451-T482 WeakPolarHBondContact OE1-CB 3.3Å; E451-T482 PolarHBondContact OE1-OG1 3.26Å; E451-T482 WeakPolarHBondContact OE2-CA 3.25Å; E451-H483 PolarHBondContact OE1-N 2.72Å; E451-H483 IonicContact OE2-CD2 3.57Å; E451-H483 PolarHBondContact OE2-CD2 3.06Å; E451-H483 IonicContact OE2-CG 3.92Å; E451-H483 PolarHBondContact OE2-N 3.43Å |
| 452 | P | 87.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.2 | -172.7 | 27.3 | -36.8 | 0 | 0 | 0 | 114.4 | V372 Q432 A449 G454 I464 L468 M480 | V372-P452 HydrophobicContact CG1-CB 4.29Å; Q432-P452 PolarHBondContact NE2-O 3.01Å; A449-P452 HydrophobicContact CB-CB 4.03Å; A449-P452 HydrophobicContact CB-CG 3.73Å; P452-G454 VanDerWaalsContact C-N 3.34Å; P452-I464 HydrophobicContact CB-CG2 4.42Å; P452-L468 HydrophobicContact CB-CD1 4.32Å; P452-L468 HydrophobicContact CG-CD1 3.98Å; P452-M480 HydrophobicContact CG-CE 3.63Å; P452-M480 HydrophobicContact CG-CG 3.89Å; P452-M480 HydrophobicContact CG-SD 3.46Å; P452-M480 WeakPolarHBondContact CG-SD 3.29Å |
| 453 | T | 84.8 | Confident | 81.9 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 1.3 | 175.9 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | E451 N455 L456 I464 M465 I487 | E451-T453 PolarHBondContact O-N 2.64Å; T453-N455 PolarHBondContact O-N 3.15Å; T453-L456 PolarHBondContact O-N 3.06Å; T453-I464 HydrophobicContact CG2-CG2 4.34Å; T453-M465 HydrophobicContact CG2-CG 4.24Å; T453-M465 HydrophobicContact CG2-SD 3.83Å; T453-I487 HydrophobicContact CG2-CD1 3.85Å |
| 454 | G | 72 | Confident | 82.3 | Confident | 11 Ų | 11 | 34.4 Ų | 34.4 | 11% | 0.113 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 126.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E451 P452 L456 | E451-G454 PolarHBondContact O-N 3.46Å; P452-G454 VanDerWaalsContact C-N 3.34Å; G454-L456 VanDerWaalsContact C-N 3.27Å; G454-L456 PolarHBondContact O-N 3.23Å |
| 455 | N | 62.9 | Low | 82.5 | Confident | 106 Ų | 106 | 34.1 Ų | 34.1 | 57% | 0.567 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 22.7 | -178.6 | -38.8 | -86.8 | 0 | 0 | 0 | 114.6 | T453 R2038 | T453-N455 PolarHBondContact O-N 3.15Å; N455-R2038 PolarHBondContact O-NH1 3.02Å |
| 456 | L | 72.4 | Confident | 82.7 | Confident | 23 Ų | 23 | 35.7 Ų | 35.7 | 12% | 0.12 | 19% | 0.188 | C | C | . | . | trans | -103 | 151.7 | 168.3 | -56.1 | -178.7 | 0 | 0 | 0 | 109.6 | F376 Q432 T453 G454 T460 I464 | F376-L456 HydrophobicContact CZ-CD2 4.36Å; Q432-L456 HydrophobicContact CB-CD1 4.4Å; Q432-L456 HydrophobicContact CG-CD1 4.48Å; T453-L456 PolarHBondContact O-N 3.06Å; G454-L456 VanDerWaalsContact C-N 3.27Å; G454-L456 PolarHBondContact O-N 3.23Å; L456-T460 HydrophobicContact CB-CG2 4.37Å; L456-T460 HydrophobicContact CD1-CG2 4.17Å; L456-T460 HydrophobicContact CD2-CG2 4.37Å; L456-I464 HydrophobicContact CD1-CG1 3.76Å | ||
| 457 | D | 71.8 | Confident | 82.7 | Confident | 72 Ų | 72 | 35.7 Ų | 35.7 | 39% | 0.385 | 19% | 0.188 | S | C | . | . | trans | -64 | 161 | 167.6 | 51.5 | -78.4 | 0 | 0 | 0 | 111.4 | D459 T460 S461 | D457-D459 PolarHBondContact O-N 2.91Å; D457-T460 VanDerWaalsContact CG-CB 3.5Å; D457-T460 WeakPolarHBondContact OD1-CB 3.39Å; D457-T460 PolarHBondContact OD1-OG1 2.81Å; D457-T460 WeakPolarHBondContact OD2-CB 3.31Å; D457-T460 PolarHBondContact OD2-N 3.45Å; D457-T460 PolarHBondContact OD2-OG1 2.78Å; D457-S461 VanDerWaalsContact O-CB 3.31Å; D457-S461 WeakPolarHBondContact O-CB 3.43Å; D457-S461 PolarHBondContact O-N 3.1Å; D457-S461 PolarHBondContact O-OG 3.05Å | ||
| 458 | P | 67.2 | Low | 82.7 | Confident | 92 Ų | 92 | 35.7 Ų | 35.7 | 60% | 0.597 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -59.2 | -41.8 | -175.7 | -26.2 | 36.1 | 0 | 0 | 0 | 113.6 | S461 W462 | P458-S461 VanDerWaalsContact O-CB 3.31Å; P458-S461 WeakPolarHBondContact O-CB 3.35Å; P458-S461 PolarHBondContact O-N 2.85Å; P458-W462 PolarHBondContact O-N 3.15Å |
| 459 | D | 72.8 | Confident | 82.3 | Confident | 122 Ų | 122 | 38.4 Ų | 38.4 | 65% | 0.652 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -71.5 | -46.7 | -175.7 | -56.4 | -40.5 | 0 | 0 | 0 | 111 | D457 S461 W462 E463 | D457-D459 PolarHBondContact O-N 2.91Å; D459-S461 PolarHBondContact O-N 2.93Å; D459-W462 WeakPolarHBondContact O-CB 3.29Å; D459-W462 PolarHBondContact O-N 3.4Å; D459-W462 VanDerWaalsContact O-N 3.1Å; D459-E463 PolarHBondContact O-N 3.49Å |
| 460 | T | 76.5 | Confident | 82 | Confident | 22 Ų | 22 | 43.6 Ų | 43.6 | 14% | 0.135 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.5 | -31.5 | 170.8 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | L456 D457 E463 I464 | L456-T460 HydrophobicContact CB-CG2 4.37Å; L456-T460 HydrophobicContact CD1-CG2 4.17Å; L456-T460 HydrophobicContact CD2-CG2 4.37Å; D457-T460 VanDerWaalsContact CG-CB 3.5Å; D457-T460 WeakPolarHBondContact OD1-CB 3.39Å; D457-T460 PolarHBondContact OD1-OG1 2.81Å; D457-T460 WeakPolarHBondContact OD2-CB 3.31Å; D457-T460 PolarHBondContact OD2-N 3.45Å; D457-T460 PolarHBondContact OD2-OG1 2.78Å; T460-E463 PolarHBondContact O-N 3.4Å; T460-I464 WeakPolarHBondContact O-CB 3.42Å; T460-I464 VanDerWaalsContact O-CG1 3.28Å; T460-I464 WeakPolarHBondContact O-CG1 3.11Å; T460-I464 PolarHBondContact O-N 3.15Å |
| 461 | S | 79.4 | Confident | 81.7 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.028 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.7 | -45.1 | 173 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | D457 P458 D459 I464 M465 | D457-S461 VanDerWaalsContact O-CB 3.31Å; D457-S461 WeakPolarHBondContact O-CB 3.43Å; D457-S461 PolarHBondContact O-N 3.1Å; D457-S461 PolarHBondContact O-OG 3.05Å; P458-S461 VanDerWaalsContact O-CB 3.31Å; P458-S461 WeakPolarHBondContact O-CB 3.35Å; P458-S461 PolarHBondContact O-N 2.85Å; D459-S461 PolarHBondContact O-N 2.93Å; S461-I464 PolarHBondContact O-N 3.35Å; S461-M465 WeakPolarHBondContact O-CG 3.41Å; S461-M465 PolarHBondContact O-N 3.44Å |
| 462 | W | 85.5 | Confident | 81.8 | Confident | 70 Ų | 70 | 42.9 Ų | 42.9 | 27% | 0.265 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61 | -42.5 | 172.4 | -74.5 | 115.8 | 0 | 0 | 0 | 112.7 | P458 D459 I464 M465 H466 I487 T490 M491 | P458-W462 PolarHBondContact O-N 3.15Å; D459-W462 WeakPolarHBondContact O-CB 3.29Å; D459-W462 PolarHBondContact O-N 3.4Å; D459-W462 VanDerWaalsContact O-N 3.1Å; W462-I464 VanDerWaalsContact C-N 3.31Å; W462-I464 PolarHBondContact O-N 3.38Å; W462-M465 PolarHBondContact O-N 3.3Å; W462-M465 VanDerWaalsContact O-N 3.15Å; W462-H466 PolarHBondContact O-CD2 3.25Å; W462-H466 PolarHBondContact O-N 2.86Å; W462-I487 HydrophobicContact CH2-CG1 4.36Å; W462-I487 HydrophobicContact CZ2-CG1 4.39Å; W462-T490 HydrophobicContact CH2-CG2 3.77Å; W462-M491 HydrophobicContact CE3-SD 4.36Å; W462-M491 HydrophobicContact CH2-CG 4.38Å; W462-M491 HydrophobicContact CZ3-CG 3.79Å; W462-M491 HydrophobicContact CZ3-SD 3.73Å |
| 463 | E | 84.2 | Confident | 81.4 | Confident | 96 Ų | 96 | 48.3 Ų | 48.3 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.7 | -39.7 | 174.7 | -67.4 | -164.5 | 140.4 | 0 | 0 | 113.1 | R433 D459 T460 L467 | R433-E463 IonicContact CZ-OE2 2.9Å; R433-E463 IonicContact NE-OE2 2.96Å; R433-E463 IonicContact NH2-OE1 2.69Å; R433-E463 IonicContact NH2-OE2 3.65Å; R433-E463 PolarHBondContact NH2-OE2 3.43Å; D459-E463 PolarHBondContact O-N 3.49Å; T460-E463 PolarHBondContact O-N 3.4Å; E463-L467 WeakPolarHBondContact O-CB 3.42Å; E463-L467 PolarHBondContact O-N 2.92Å |
| 464 | I | 89.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.4 | -38.6 | 175.8 | -71.3 | -68.5 | 0 | 0 | 0 | 110.5 | Q432 R433 I436 P452 T453 L456 T460 S461 W462 L467 L468 | Q432-I464 HydrophobicContact CB-CD1 4.02Å; Q432-I464 HydrophobicContact CG-CD1 3.96Å; R433-I464 HydrophobicContact CG-CD1 3.9Å; I436-I464 HydrophobicContact CD1-CD1 3.76Å; I436-I464 HydrophobicContact CD1-CG2 4.14Å; P452-I464 HydrophobicContact CB-CG2 4.42Å; T453-I464 HydrophobicContact CG2-CG2 4.34Å; L456-I464 HydrophobicContact CD1-CG1 3.76Å; T460-I464 WeakPolarHBondContact O-CB 3.42Å; T460-I464 VanDerWaalsContact O-CG1 3.28Å; T460-I464 WeakPolarHBondContact O-CG1 3.11Å; T460-I464 PolarHBondContact O-N 3.15Å; S461-I464 PolarHBondContact O-N 3.35Å; W462-I464 VanDerWaalsContact C-N 3.31Å; W462-I464 PolarHBondContact O-N 3.38Å; I464-L467 WeakPolarHBondContact O-CB 3.34Å; I464-L467 PolarHBondContact O-N 3.2Å; I464-L468 HydrophobicContact CG2-CD1 4.36Å; I464-L468 WeakPolarHBondContact O-CG 3.37Å; I464-L468 PolarHBondContact O-N 3.28Å |
| 465 | M | 90.8 | Very high | 80.8 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.4 | -49.1 | 174.9 | -69.7 | -40 | -61.2 | 0 | 0 | 112.5 | F317 Y319 T453 S461 W462 L467 L468 E469 M480 I487 M491 | F317-M465 HydrophobicContact CE1-CE 4.39Å; F317-M465 HydrophobicContact CZ-CE 3.8Å; Y319-M465 HydrophobicContact CE1-CE 4.29Å; T453-M465 HydrophobicContact CG2-CG 4.24Å; T453-M465 HydrophobicContact CG2-SD 3.83Å; S461-M465 WeakPolarHBondContact O-CG 3.41Å; S461-M465 PolarHBondContact O-N 3.44Å; W462-M465 PolarHBondContact O-N 3.3Å; W462-M465 VanDerWaalsContact O-N 3.15Å; M465-L467 PolarHBondContact O-N 2.91Å; M465-L468 HydrophobicContact CE-CD1 4.29Å; M465-L468 CarbonylContact O-C 3.46Å; M465-L468 PolarHBondContact O-N 3.02Å; M465-L468 HydrophobicContact SD-CD1 4.16Å; M465-E469 WeakPolarHBondContact O-CB 3.33Å; M465-E469 PolarHBondContact O-N 3.47Å; M465-M480 HydrophobicContact CE-CE 3.92Å; M465-M480 HydrophobicContact CE-SD 3.47Å; M465-M480 WeakPolarHBondContact CE-SD 3.46Å; M465-M480 HydrophobicContact SD-CE 3.58Å; M465-M480 VanDerWaalsContact SD-CE 3.58Å; M465-M480 HydrophobicContact SD-SD 3.7Å; M465-M480 VanDerWaalsContact SD-SD 3.7Å; M465-I487 HydrophobicContact CE-CG2 4.01Å; M465-I487 HydrophobicContact CG-CD1 3.88Å; M465-I487 HydrophobicContact CG-CG1 4.44Å; M465-I487 HydrophobicContact CG-CG2 3.75Å; M465-I487 HydrophobicContact SD-CD1 4.44Å; M465-I487 HydrophobicContact SD-CG2 4.05Å; M465-M491 HydrophobicContact CB-CE 3.77Å; M465-M491 HydrophobicContact CB-SD 4.08Å; M465-M491 HydrophobicContact CE-CE 3.36Å; M465-M491 HydrophobicContact CG-CE 3.88Å; M465-M491 HydrophobicContact SD-CE 4.44Å |
| 466 | H | 88.4 | Confident | 81.8 | Confident | 87 Ų | 87 | 50.8 Ų | 50.8 | 40% | 0.403 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.4 | -15.8 | 174.5 | -65.2 | -53.5 | 0 | 0 | 0 | 113.3 | W462 E469 R470 | W462-H466 PolarHBondContact O-CD2 3.25Å; W462-H466 PolarHBondContact O-N 2.86Å; H466-E469 IonicContact CE1-OE2 3.32Å; H466-E469 IonicContact CG-OE2 3.91Å; H466-E469 IonicContact ND1-OE2 3.29Å; H466-E469 PolarHBondContact ND1-OE2 3.16Å; H466-R470 WeakPolarHBondContact O-CB 3.32Å; H466-R470 WeakPolarHBondContact O-CG 3.37Å; H466-R470 PolarHBondContact O-N 3.48Å; H466-R470 PolarHBondContact O-NE 3.45Å |
| 467 | L | 91.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -77 | -44.7 | 166.2 | 175.3 | 59 | 0 | 0 | 0 | 111.5 | V413 R433 I436 E463 I464 M465 R470 I471 | V413-L467 HydrophobicContact CB-CD1 4.49Å; V413-L467 HydrophobicContact CB-CD2 4.02Å; V413-L467 HydrophobicContact CG1-CD1 4.2Å; V413-L467 HydrophobicContact CG1-CD2 4.02Å; R433-L467 HydrophobicContact CG-CD2 4.03Å; I436-L467 HydrophobicContact CD1-CD2 3.84Å; I436-L467 HydrophobicContact CD1-CG 4.48Å; I436-L467 HydrophobicContact CG2-CD2 4.09Å; I436-L467 HydrophobicContact CG2-CG 4.36Å; E463-L467 WeakPolarHBondContact O-CB 3.42Å; E463-L467 PolarHBondContact O-N 2.92Å; I464-L467 WeakPolarHBondContact O-CB 3.34Å; I464-L467 PolarHBondContact O-N 3.2Å; M465-L467 PolarHBondContact O-N 2.91Å; L467-R470 PolarHBondContact O-N 2.91Å; L467-I471 HydrophobicContact CD1-CD1 3.94Å; L467-I471 HydrophobicContact CD1-CG1 4.42Å; L467-I471 HydrophobicContact CG-CD1 4Å; L467-I471 WeakPolarHBondContact O-CD1 3.47Å; L467-I471 VanDerWaalsContact O-CG1 3.25Å; L467-I471 WeakPolarHBondContact O-CG1 3.48Å; L467-I471 PolarHBondContact O-N 3.08Å |
| 468 | L | 92.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.7 | -45.3 | 175 | -67.9 | 173.5 | 0 | 0 | 0 | 111.3 | F317 I436 L447 P452 I464 M465 R470 I471 N472 I478 M480 | F317-L468 HydrophobicContact CE2-CB 3.99Å; F317-L468 HydrophobicContact CZ-CB 4.12Å; I436-L468 HydrophobicContact CD1-CD2 4.44Å; L447-L468 HydrophobicContact CD2-CD2 3.78Å; P452-L468 HydrophobicContact CB-CD1 4.32Å; P452-L468 HydrophobicContact CG-CD1 3.98Å; I464-L468 HydrophobicContact CG2-CD1 4.36Å; I464-L468 WeakPolarHBondContact O-CG 3.37Å; I464-L468 PolarHBondContact O-N 3.28Å; M465-L468 HydrophobicContact CE-CD1 4.29Å; M465-L468 CarbonylContact O-C 3.46Å; M465-L468 PolarHBondContact O-N 3.02Å; M465-L468 HydrophobicContact SD-CD1 4.16Å; L468-R470 PolarHBondContact O-N 3.43Å; L468-I471 CarbonylContact O-C 3.58Å; L468-I471 WeakPolarHBondContact O-CA 3.48Å; L468-I471 WeakPolarHBondContact O-CB 3.48Å; L468-I471 PolarHBondContact O-N 3.32Å; L468-N472 PolarHBondContact O-N 3.49Å; L468-I478 HydrophobicContact CB-CD1 4.01Å; L468-I478 HydrophobicContact CD2-CD1 4.29Å; L468-I478 WeakPolarHBondContact O-CD1 3.32Å; L468-M480 HydrophobicContact CD1-SD 4.02Å |
| 469 | E | 86.8 | Confident | 85 | Confident | 56 Ų | 56 | 41.9 Ų | 41.9 | 26% | 0.262 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -55.7 | -47 | 173.8 | -176 | -177.2 | -151 | 0 | 0 | 111.7 | M465 H466 I471 N472 N473 | M465-E469 WeakPolarHBondContact O-CB 3.33Å; M465-E469 PolarHBondContact O-N 3.47Å; H466-E469 IonicContact CE1-OE2 3.32Å; H466-E469 IonicContact CG-OE2 3.91Å; H466-E469 IonicContact ND1-OE2 3.29Å; H466-E469 PolarHBondContact ND1-OE2 3.16Å; E469-I471 VanDerWaalsContact C-N 3.27Å; E469-I471 PolarHBondContact O-N 2.96Å; E469-N472 WeakPolarHBondContact O-CB 3.28Å; E469-N472 PolarHBondContact O-N 2.93Å; E469-N472 VanDerWaalsContact O-N 3.14Å; E469-N473 WeakPolarHBondContact O-CB 3.5Å; E469-N473 PolarHBondContact O-N 2.7Å; E469-N473 PolarHBondContact O-ND2 3.19Å |
| 470 | R | 85.3 | Confident | 86 | Confident | 110 Ų | 110 | 36 Ų | 36 | 42% | 0.415 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.3 | -25.6 | 174.6 | -75.5 | -178.9 | -59.1 | 131.6 | 5.2 | 114.1 | H466 L467 L468 Q474 | H466-R470 WeakPolarHBondContact O-CB 3.32Å; H466-R470 WeakPolarHBondContact O-CG 3.37Å; H466-R470 PolarHBondContact O-N 3.48Å; H466-R470 PolarHBondContact O-NE 3.45Å; L467-R470 PolarHBondContact O-N 2.91Å; L468-R470 PolarHBondContact O-N 3.43Å; R470-Q474 VanDerWaalsContact O-CG 3.31Å; R470-Q474 WeakPolarHBondContact O-CG 3.37Å |
| 471 | I | 86.9 | Confident | 86.7 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -78.5 | -35.9 | 172.9 | -69.1 | 158.9 | 0 | 0 | 0 | 110.5 | L412 I436 I440 L447 L467 L468 E469 Q474 T476 I478 | L412-I471 HydrophobicContact CD2-CG1 4.29Å; I436-I471 HydrophobicContact CG2-CD1 3.55Å; I440-I471 HydrophobicContact CD1-CD1 3.72Å; I440-I471 HydrophobicContact CD1-CG1 4.09Å; I440-I471 HydrophobicContact CG2-CD1 4.23Å; I440-I471 HydrophobicContact CG2-CG2 4.2Å; L447-I471 HydrophobicContact CD2-CD1 4.47Å; L447-I471 HydrophobicContact CD2-CG2 3.94Å; L467-I471 HydrophobicContact CD1-CD1 3.94Å; L467-I471 HydrophobicContact CD1-CG1 4.42Å; L467-I471 HydrophobicContact CG-CD1 4Å; L467-I471 WeakPolarHBondContact O-CD1 3.47Å; L467-I471 VanDerWaalsContact O-CG1 3.25Å; L467-I471 WeakPolarHBondContact O-CG1 3.48Å; L467-I471 PolarHBondContact O-N 3.08Å; L468-I471 CarbonylContact O-C 3.58Å; L468-I471 WeakPolarHBondContact O-CA 3.48Å; L468-I471 WeakPolarHBondContact O-CB 3.48Å; L468-I471 PolarHBondContact O-N 3.32Å; E469-I471 VanDerWaalsContact C-N 3.27Å; E469-I471 PolarHBondContact O-N 2.96Å; I471-Q474 WeakPolarHBondContact O-CB 3.36Å; I471-Q474 PolarHBondContact O-N 2.88Å; I471-T476 HydrophobicContact CG2-CG2 4.04Å; I471-T476 VanDerWaalsContact O-CB 3.26Å; I471-T476 WeakPolarHBondContact O-CB 3.41Å; I471-T476 PolarHBondContact O-N 3.49Å; I471-T476 PolarHBondContact O-OG1 3.01Å; I471-I478 HydrophobicContact CB-CD1 4.43Å; I471-I478 HydrophobicContact CG2-CD1 4.34Å |
| 472 | N | 89.1 | Confident | 87.1 | Confident | 19 Ų | 19 | 34.8 Ų | 34.8 | 10% | 0.102 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.1 | -45.4 | 174.3 | -179.3 | -122.9 | 0 | 0 | 0 | 111.7 | G315 E316 F317 L468 E469 Q474 G475 T476 I478 | G315-N472 PolarHBondContact O-ND2 2.83Å; E316-N472 PolarHBondContact O-ND2 2.86Å; F317-N472 HydrophobicContact CD2-CB 3.8Å; F317-N472 HydrophobicContact CE2-CB 4.45Å; L468-N472 PolarHBondContact O-N 3.49Å; E469-N472 WeakPolarHBondContact O-CB 3.28Å; E469-N472 PolarHBondContact O-N 2.93Å; E469-N472 VanDerWaalsContact O-N 3.14Å; N472-Q474 PolarHBondContact O-N 3.4Å; N472-G475 WeakPolarHBondContact O-CA 3.33Å; N472-G475 PolarHBondContact O-N 2.84Å; N472-T476 WeakPolarHBondContact CA-O 3.43Å; N472-T476 PolarHBondContact ND2-O 3.42Å; N472-T476 PolarHBondContact O-N 2.83Å; N472-I478 HydrophobicContact CB-CD1 3.79Å; N472-I478 HydrophobicContact CB-CG1 3.96Å |
| 473 | N | 78.4 | Confident | 86.7 | Confident | 115 Ų | 115 | 35 Ų | 35 | 62% | 0.615 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -7.1 | 173.2 | -65.1 | -17.3 | 0 | 0 | 0 | 113.7 | E469 G475 | E469-N473 WeakPolarHBondContact O-CB 3.5Å; E469-N473 PolarHBondContact O-N 2.7Å; E469-N473 PolarHBondContact O-ND2 3.19Å; N473-G475 VanDerWaalsContact C-N 3.34Å |
| 474 | Q | 75.3 | Confident | 86.4 | Confident | 120 Ų | 120 | 32.7 Ų | 32.7 | 56% | 0.561 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 16.9 | 166.9 | -71.4 | 172.1 | 1.3 | 0 | 0 | 112.7 | R470 I471 N472 | R470-Q474 VanDerWaalsContact O-CG 3.31Å; R470-Q474 WeakPolarHBondContact O-CG 3.37Å; I471-Q474 WeakPolarHBondContact O-CB 3.36Å; I471-Q474 PolarHBondContact O-N 2.88Å; N472-Q474 PolarHBondContact O-N 3.4Å |
| 475 | G | 70.7 | Confident | 85.6 | Confident | 37 Ų | 37 | 36.4 Ų | 36.4 | 38% | 0.381 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 7.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | N472 N473 | N472-G475 WeakPolarHBondContact O-CA 3.33Å; N472-G475 PolarHBondContact O-N 2.84Å; N473-G475 VanDerWaalsContact C-N 3.34Å |
| 476 | T | 83.2 | Confident | 84.7 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 12% | 0.117 | 21% | 0.207 | C | C | . | . | trans | -83.1 | 124 | 178.9 | -53 | 0 | 0 | 0 | 0 | 110.4 | L447 I471 N472 I478 | L447-T476 HydrophobicContact CB-CG2 3.75Å; I471-T476 HydrophobicContact CG2-CG2 4.04Å; I471-T476 VanDerWaalsContact O-CB 3.26Å; I471-T476 WeakPolarHBondContact O-CB 3.41Å; I471-T476 PolarHBondContact O-N 3.49Å; I471-T476 PolarHBondContact O-OG1 3.01Å; N472-T476 WeakPolarHBondContact CA-O 3.43Å; N472-T476 PolarHBondContact ND2-O 3.42Å; N472-T476 PolarHBondContact O-N 2.83Å; T476-I478 PolarHBondContact O-N 3.4Å | ||
| 477 | T | 89.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 126.2 | 175.3 | -39 | 0 | 0 | 0 | 0 | 109.6 | M288 I312 D313 G315 E316 K445 V446 L447 | M288-T477 HydrophobicContact CG-CG2 4.33Å; I312-T477 HydrophobicContact CG2-CG2 3.79Å; D313-T477 VanDerWaalsContact O-CG2 3.24Å; D313-T477 WeakPolarHBondContact O-CG2 3.35Å; G315-T477 PolarHBondContact N-OG1 3.25Å; E316-T477 CarbonylContact O-C 3.45Å; K445-T477 WeakPolarHBondContact O-CB 3.24Å; K445-T477 PolarHBondContact O-N 2.95Å; K445-T477 PolarHBondContact O-OG1 3.01Å; V446-T477 CarbonylContact C-O 3.55Å; V446-T477 WeakPolarHBondContact CA-O 3.29Å; L447-T477 PolarHBondContact N-O 2.88Å |
| 478 | I | 93.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.5 | -177.9 | -58.3 | -160.8 | 0 | 0 | 0 | 111.5 | E316 F317 V318 L447 L468 I471 N472 T476 M480 | E316-I478 PolarHBondContact O-N 3.3Å; F317-I478 HydrophobicContact CD1-CB 4.37Å; F317-I478 HydrophobicContact CD1-CG2 4.21Å; F317-I478 HydrophobicContact CD2-CB 4.03Å; F317-I478 HydrophobicContact CD2-CD1 4.25Å; F317-I478 HydrophobicContact CD2-CG1 4.45Å; F317-I478 HydrophobicContact CD2-CG2 4.29Å; F317-I478 HydrophobicContact CE1-CB 4.49Å; F317-I478 HydrophobicContact CE1-CG2 3.88Å; F317-I478 HydrophobicContact CE2-CB 4.17Å; F317-I478 HydrophobicContact CE2-CD1 3.95Å; F317-I478 HydrophobicContact CE2-CG2 3.98Å; F317-I478 HydrophobicContact CG-CB 4.11Å; F317-I478 HydrophobicContact CG-CG2 4.39Å; F317-I478 HydrophobicContact CZ-CB 4.39Å; F317-I478 HydrophobicContact CZ-CG2 3.74Å; V318-I478 PolarHBondContact N-O 3.41Å; L447-I478 HydrophobicContact CB-CG1 4.32Å; L447-I478 HydrophobicContact CD2-CD1 4.18Å; L447-I478 WeakPolarHBondContact O-CA 3.42Å; L468-I478 HydrophobicContact CB-CD1 4.01Å; L468-I478 HydrophobicContact CD2-CD1 4.29Å; L468-I478 WeakPolarHBondContact O-CD1 3.32Å; I471-I478 HydrophobicContact CB-CD1 4.43Å; I471-I478 HydrophobicContact CG2-CD1 4.34Å; N472-I478 HydrophobicContact CB-CD1 3.79Å; N472-I478 HydrophobicContact CB-CG1 3.96Å; T476-I478 PolarHBondContact O-N 3.4Å; I478-M480 HydrophobicContact CG2-CB 4.46Å |
| 479 | V | 94.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 105.4 | 171.5 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | I289 I312 V318 V320 M335 L447 I448 A449 | I289-V479 HydrophobicContact CD1-CG2 3.81Å; I312-V479 HydrophobicContact CD1-CG2 3.82Å; V318-V479 CarbonylContact O-C 3.59Å; V318-V479 WeakPolarHBondContact O-CA 3.33Å; V320-V479 HydrophobicContact CG2-CG1 3.82Å; M335-V479 HydrophobicContact CE-CG1 4.32Å; M335-V479 HydrophobicContact SD-CG1 4.34Å; L447-V479 PolarHBondContact O-N 2.81Å; I448-V479 CarbonylContact C-O 3.4Å; I448-V479 WeakPolarHBondContact CA-O 3.15Å; A449-V479 PolarHBondContact N-O 2.89Å |
| 480 | M | 94.5 | Very high | 82.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 113.3 | -175.4 | 173.2 | 166.7 | 159.9 | 0 | 0 | 111.6 | F317 V318 Y319 V320 A449 P452 M465 L468 I478 T482 | F317-M480 HydrophobicContact CE1-CB 4.09Å; V318-M480 PolarHBondContact O-N 3.07Å; Y319-M480 CarbonylContact C-O 3.45Å; Y319-M480 VanDerWaalsContact CA-O 3.27Å; Y319-M480 WeakPolarHBondContact CA-O 3.45Å; Y319-M480 HydrophobicContact CD1-CB 4.38Å; Y319-M480 HydrophobicContact CD1-CG 4.43Å; Y319-M480 HydrophobicContact CE1-SD 4.33Å; V320-M480 PolarHBondContact N-O 2.92Å; A449-M480 HydrophobicContact CB-CB 4.34Å; A449-M480 HydrophobicContact CB-CG 4.42Å; A449-M480 CarbonylContact O-C 3.28Å; A449-M480 VanDerWaalsContact O-CA 3.29Å; A449-M480 WeakPolarHBondContact O-CA 3.37Å; P452-M480 HydrophobicContact CG-CE 3.63Å; P452-M480 HydrophobicContact CG-CG 3.89Å; P452-M480 HydrophobicContact CG-SD 3.46Å; P452-M480 WeakPolarHBondContact CG-SD 3.29Å; M465-M480 HydrophobicContact CE-CE 3.92Å; M465-M480 HydrophobicContact CE-SD 3.47Å; M465-M480 WeakPolarHBondContact CE-SD 3.46Å; M465-M480 HydrophobicContact SD-CE 3.58Å; M465-M480 VanDerWaalsContact SD-CE 3.58Å; M465-M480 HydrophobicContact SD-SD 3.7Å; M465-M480 VanDerWaalsContact SD-SD 3.7Å; L468-M480 HydrophobicContact CD1-SD 4.02Å; I478-M480 HydrophobicContact CG2-CB 4.46Å; M480-T482 HydrophobicContact CE-CG2 3.9Å |
| 481 | A | 91.8 | Very high | 81.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 134.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V320 K328 I332 A449 E451 | V320-A481 HydrophobicContact CB-CB 4.19Å; V320-A481 VanDerWaalsContact O-CA 3.25Å; V320-A481 WeakPolarHBondContact O-CA 3.38Å; K328-A481 HydrophobicContact CB-CB 4.37Å; K328-A481 HydrophobicContact CD-CB 4.46Å; I332-A481 HydrophobicContact CD1-CB 3.49Å; I332-A481 VanDerWaalsContact CD1-CB 3.49Å; A449-A481 PolarHBondContact O-N 3.41Å; E451-A481 VanDerWaalsContact CA-O 3.27Å; E451-A481 WeakPolarHBondContact CA-O 3.2Å; E451-A481 PolarHBondContact N-O 3.48Å |
| 482 | T | 86.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -152.8 | 153.2 | 172.8 | -169.1 | 0 | 0 | 0 | 0 | 114.4 | Y319 V320 E451 M480 N484 V488 | Y319-T482 HydrophobicContact CD1-CG2 4.22Å; V320-T482 PolarHBondContact O-N 2.81Å; V320-T482 VanDerWaalsContact O-N 3.08Å; E451-T482 VanDerWaalsContact OE1-CA 3.24Å; E451-T482 WeakPolarHBondContact OE1-CA 3.37Å; E451-T482 WeakPolarHBondContact OE1-CB 3.3Å; E451-T482 PolarHBondContact OE1-OG1 3.26Å; E451-T482 WeakPolarHBondContact OE2-CA 3.25Å; M480-T482 HydrophobicContact CE-CG2 3.9Å; T482-N484 PolarHBondContact OG1-N 2.75Å; T482-V488 HydrophobicContact CG2-CG2 3.63Å | ||
| 483 | H | 78.4 | Confident | 81.4 | Confident | 74 Ų | 74 | 41.6 Ų | 41.6 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | trans | -99.7 | -5.6 | 166.1 | -79.5 | -79.9 | 0 | 0 | 0 | 113.4 | G322 K328 E451 K485 | G322-H483 PolarHBondContact O-CE1 2.93Å; G322-H483 PolarHBondContact O-ND1 3.33Å; K328-H483 PolarHBondContact NZ-CE1 3.41Å; K328-H483 PolarHBondContact NZ-NE2 2.82Å; E451-H483 PolarHBondContact OE1-N 2.72Å; E451-H483 IonicContact OE2-CD2 3.57Å; E451-H483 PolarHBondContact OE2-CD2 3.06Å; E451-H483 IonicContact OE2-CG 3.92Å; E451-H483 PolarHBondContact OE2-N 3.43Å; H483-K485 PolarHBondContact O-N 2.9Å | ||
| 484 | N | 77.6 | Confident | 82.1 | Confident | 48 Ų | 48 | 37.8 Ų | 37.8 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | trans | -80 | 92.1 | -176.3 | -168.6 | -32.5 | 0 | 0 | 0 | 111.7 | T482 T486 I487 V488 | T482-N484 PolarHBondContact OG1-N 2.75Å; N484-T486 VanDerWaalsContact C-N 3.33Å; N484-T486 PolarHBondContact O-N 3.26Å; N484-T486 WeakPolarHBondContact OD1-CB 3.38Å; N484-T486 PolarHBondContact OD1-N 2.97Å; N484-T486 VanDerWaalsContact OD1-N 3.12Å; N484-I487 HydrophobicContact CB-CB 4.3Å; N484-I487 HydrophobicContact CB-CD1 4.05Å; N484-I487 HydrophobicContact CB-CG1 4.3Å; N484-I487 VanDerWaalsContact ND2-CD1 3.29Å; N484-I487 WeakPolarHBondContact ND2-CD1 3.41Å; N484-I487 PolarHBondContact O-N 2.97Å; N484-I487 PolarHBondContact OD1-N 3.11Å; N484-V488 PolarHBondContact O-N 3.23Å | ||
| 485 | K | 73.1 | Confident | 82.7 | Confident | 77 Ų | 77 | 32.1 Ų | 32.1 | 34% | 0.335 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -49.2 | -48.6 | 174.1 | 171.2 | 164.9 | -178.6 | 174.1 | 0 | 113.4 | H483 I487 V488 D489 Y512 D513 | H483-K485 PolarHBondContact O-N 2.9Å; K485-I487 VanDerWaalsContact C-N 3.32Å; K485-I487 PolarHBondContact O-N 2.86Å; K485-V488 PolarHBondContact O-N 3.16Å; K485-D489 WeakPolarHBondContact CE-OD2 3.41Å; K485-D489 WeakPolarHBondContact CG-OD2 3.44Å; K485-D489 WeakPolarHBondContact O-CB 3.4Å; K485-D489 PolarHBondContact O-N 3.46Å; K485-Y512 HydrophobicContact CB-CD1 3.92Å; K485-Y512 HydrophobicContact CB-CD2 4.21Å; K485-Y512 HydrophobicContact CB-CE1 4.32Å; K485-Y512 HydrophobicContact CB-CG 3.86Å; K485-Y512 HydrophobicContact CD-CD1 4.06Å; K485-Y512 HydrophobicContact CD-CG 4.47Å; K485-Y512 HydrophobicContact CG-CD1 4.07Å; K485-Y512 HydrophobicContact CG-CG 4.01Å; K485-D513 WeakPolarHBondContact CE-OD1 3.5Å; K485-D513 IonicContact NZ-OD1 3.61Å; K485-D513 PolarHBondContact NZ-OD1 2.88Å; K485-D513 IonicContact NZ-OD2 2.91Å; K485-D513 PolarHBondContact NZ-OD2 2.88Å |
| 486 | T | 70.8 | Confident | 83.7 | Confident | 91 Ų | 91 | 30.3 Ų | 30.3 | 56% | 0.558 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -60.4 | -40.7 | -174.3 | -48.6 | 0 | 0 | 0 | 0 | 112.3 | N484 T490 | N484-T486 VanDerWaalsContact C-N 3.33Å; N484-T486 PolarHBondContact O-N 3.26Å; N484-T486 WeakPolarHBondContact OD1-CB 3.38Å; N484-T486 PolarHBondContact OD1-N 2.97Å; N484-T486 VanDerWaalsContact OD1-N 3.12Å; T486-T490 VanDerWaalsContact O-CB 3.24Å; T486-T490 WeakPolarHBondContact O-CB 3.38Å; T486-T490 PolarHBondContact O-N 2.68Å; T486-T490 PolarHBondContact O-OG1 2.75Å |
| 487 | I | 79.8 | Confident | 83.8 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.2 | -47.2 | 176.7 | -69.7 | 177.3 | 0 | 0 | 0 | 110.7 | T453 W462 M465 N484 K485 T490 M491 | T453-I487 HydrophobicContact CG2-CD1 3.85Å; W462-I487 HydrophobicContact CH2-CG1 4.36Å; W462-I487 HydrophobicContact CZ2-CG1 4.39Å; M465-I487 HydrophobicContact CE-CG2 4.01Å; M465-I487 HydrophobicContact CG-CD1 3.88Å; M465-I487 HydrophobicContact CG-CG1 4.44Å; M465-I487 HydrophobicContact CG-CG2 3.75Å; M465-I487 HydrophobicContact SD-CD1 4.44Å; M465-I487 HydrophobicContact SD-CG2 4.05Å; N484-I487 HydrophobicContact CB-CB 4.3Å; N484-I487 HydrophobicContact CB-CD1 4.05Å; N484-I487 HydrophobicContact CB-CG1 4.3Å; N484-I487 VanDerWaalsContact ND2-CD1 3.29Å; N484-I487 WeakPolarHBondContact ND2-CD1 3.41Å; N484-I487 PolarHBondContact O-N 2.97Å; N484-I487 PolarHBondContact OD1-N 3.11Å; K485-I487 VanDerWaalsContact C-N 3.32Å; K485-I487 PolarHBondContact O-N 2.86Å; I487-T490 PolarHBondContact O-N 3.09Å; I487-M491 HydrophobicContact CG2-CE 3.56Å; I487-M491 PolarHBondContact O-N 2.83Å |
| 488 | V | 79.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.2 | -51.6 | -179 | 171.4 | 0 | 0 | 0 | 0 | 111.8 | Y319 V321 T482 N484 K485 T490 R492 L495 Y512 | Y319-V488 HydrophobicContact CD1-CG2 4.14Å; Y319-V488 HydrophobicContact CD2-CG1 4.18Å; Y319-V488 HydrophobicContact CD2-CG2 4.1Å; Y319-V488 HydrophobicContact CE1-CG2 4.36Å; Y319-V488 HydrophobicContact CE2-CG2 4.3Å; Y319-V488 HydrophobicContact CG-CG2 4.01Å; V321-V488 HydrophobicContact CG1-CG2 4.24Å; T482-V488 HydrophobicContact CG2-CG2 3.63Å; N484-V488 PolarHBondContact O-N 3.23Å; K485-V488 PolarHBondContact O-N 3.16Å; V488-T490 PolarHBondContact O-N 3.15Å; V488-R492 PolarHBondContact O-N 2.84Å; V488-L495 HydrophobicContact CG1-CD1 3.31Å; V488-Y512 HydrophobicContact CB-CD2 4.19Å; V488-Y512 HydrophobicContact CG1-CD2 4.24Å; V488-Y512 HydrophobicContact CG2-CD2 4.24Å |
| 489 | D | 74.2 | Confident | 82.8 | Confident | 36 Ų | 36 | 33.5 Ų | 33.5 | 19% | 0.193 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64 | -21.7 | -178 | -76.6 | -19 | 0 | 0 | 0 | 113.6 | K485 R492 E511 Y512 | K485-D489 WeakPolarHBondContact CE-OD2 3.41Å; K485-D489 WeakPolarHBondContact CG-OD2 3.44Å; K485-D489 WeakPolarHBondContact O-CB 3.4Å; K485-D489 PolarHBondContact O-N 3.46Å; D489-R492 WeakPolarHBondContact O-CG 3.29Å; D489-R492 PolarHBondContact O-NE 2.88Å; D489-R492 PolarHBondContact O-NH2 3.28Å; D489-E511 WeakPolarHBondContact OD1-CA 3.31Å; D489-Y512 WeakPolarHBondContact OD1-CB 3.32Å; D489-Y512 PolarHBondContact OD1-N 2.84Å |
| 490 | T | 73.2 | Confident | 82 | Confident | 85 Ų | 85 | 39 Ų | 39 | 52% | 0.521 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -94.2 | -48.5 | -177.1 | -56 | 0 | 0 | 0 | 0 | 112.4 | W462 T486 I487 V488 | W462-T490 HydrophobicContact CH2-CG2 3.77Å; T486-T490 VanDerWaalsContact O-CB 3.24Å; T486-T490 WeakPolarHBondContact O-CB 3.38Å; T486-T490 PolarHBondContact O-N 2.68Å; T486-T490 PolarHBondContact O-OG1 2.75Å; I487-T490 PolarHBondContact O-N 3.09Å; V488-T490 PolarHBondContact O-N 3.15Å |
| 491 | M | 77.3 | Confident | 81.3 | Confident | 32 Ų | 32 | 39 Ų | 39 | 16% | 0.158 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -90.4 | -17.4 | -176.8 | -60.8 | -169.5 | -48.8 | 0 | 0 | 114.3 | Y319 W462 M465 I487 H493 | Y319-M491 WeakPolarHBondContact OH-CE 3.41Å; W462-M491 HydrophobicContact CE3-SD 4.36Å; W462-M491 HydrophobicContact CH2-CG 4.38Å; W462-M491 HydrophobicContact CZ3-CG 3.79Å; W462-M491 HydrophobicContact CZ3-SD 3.73Å; M465-M491 HydrophobicContact CB-CE 3.77Å; M465-M491 HydrophobicContact CB-SD 4.08Å; M465-M491 HydrophobicContact CE-CE 3.36Å; M465-M491 HydrophobicContact CG-CE 3.88Å; M465-M491 HydrophobicContact SD-CE 4.44Å; I487-M491 HydrophobicContact CG2-CE 3.56Å; I487-M491 PolarHBondContact O-N 2.83Å; M491-H493 VanDerWaalsContact C-N 3.27Å; M491-H493 PolarHBondContact O-N 2.89Å |
| 492 | R | 79.8 | Confident | 80.9 | Confident | 96 Ų | 96 | 42.9 Ų | 42.9 | 36% | 0.362 | 22% | 0.215 | S | C | . | . | trans | 53.8 | 30.4 | 161.9 | -60.7 | 179.3 | 170.4 | -107.9 | -14.7 | 116.8 | V488 D489 E509 E511 | V488-R492 PolarHBondContact O-N 2.84Å; D489-R492 WeakPolarHBondContact O-CG 3.29Å; D489-R492 PolarHBondContact O-NE 2.88Å; D489-R492 PolarHBondContact O-NH2 3.28Å; R492-E509 HydrophobicContact CB-CB 4.48Å; R492-E509 WeakPolarHBondContact O-CA 3.28Å; R492-E509 WeakPolarHBondContact O-CB 3.35Å; R492-E509 WeakPolarHBondContact O-CG 3.45Å; R492-E511 IonicContact CZ-OE1 3.42Å; R492-E511 IonicContact NH1-OE1 3.66Å; R492-E511 PolarHBondContact NH1-OE1 3.2Å; R492-E511 IonicContact NH2-OE1 3.94Å; R492-E511 PolarHBondContact NH2-OE1 3.27Å | ||
| 493 | H | 88.1 | Confident | 80.9 | Confident | 42 Ų | 42 | 45 Ų | 45 | 19% | 0.194 | 23% | 0.226 | C | C | . | . | trans | -64.8 | 176.7 | 165 | -52.8 | -42.2 | 0 | 0 | 0 | 112 | F317 Y319 M491 L495 A508 | F317-H493 HydrophobicContact CB-CB 4.06Å; F317-H493 HydrophobicContact CD1-CB 4.15Å; F317-H493 AromaticContact CD1-CD2 3.43Å; F317-H493 VanDerWaalsContact CD1-CD2 3.43Å; F317-H493 WeakPolarHBondContact CD1-CD2 3.44Å; F317-H493 AromaticContact CD2-CD2 3.71Å; F317-H493 AromaticContact CD2-NE2 3.8Å; F317-H493 AromaticContact CE1-CD2 3.89Å; F317-H493 HydrophobicContact CG-CB 4.31Å; F317-H493 AromaticContact CG-CD2 3.36Å; F317-H493 WeakPolarHBondContact CG-CD2 3.49Å; F317-H493 AromaticContact CG-CG 3.93Å; F317-H493 AromaticContact CG-NE2 3.92Å; Y319-H493 HydrophobicContact CD2-CB 4.14Å; Y319-H493 HydrophobicContact CE2-CB 3.67Å; Y319-H493 AromaticContact CZ-CD2 3.82Å; Y319-H493 PolarHBondContact OH-CD2 2.84Å; M491-H493 VanDerWaalsContact C-N 3.27Å; M491-H493 PolarHBondContact O-N 2.89Å; H493-L495 PolarHBondContact O-N 2.89Å; H493-A508 CarbonylContact C-O 3.54Å | ||
| 494 | R | 91.2 | Very high | 80.8 | Confident | 35 Ų | 35 | 44.9 Ų | 44.9 | 13% | 0.132 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 134.8 | -176.6 | -178.9 | 172.9 | 172.2 | -160.7 | -8.6 | 111.6 | R311 E316 F317 V318 Y319 D506 E507 A508 | R311-R494 PolarHBondContact O-NH1 2.72Å; R311-R494 VanDerWaalsContact O-NH1 3.09Å; R311-R494 PolarHBondContact O-NH2 3.21Å; E316-R494 WeakPolarHBondContact OE1-CD 3.44Å; E316-R494 IonicContact OE1-CZ 3.58Å; E316-R494 IonicContact OE1-NE 3.13Å; E316-R494 IonicContact OE1-NH1 2.77Å; E316-R494 PolarHBondContact OE1-NH1 2.79Å; E316-R494 IonicContact OE2-NH1 3.16Å; E316-R494 PolarHBondContact OE2-NH1 2.91Å; F317-R494 PolarHBondContact O-N 3.44Å; V318-R494 CarbonylContact C-O 3.56Å; V318-R494 WeakPolarHBondContact CA-O 3.38Å; V318-R494 HydrophobicContact CG1-CG 4.31Å; V318-R494 HydrophobicContact CG2-CB 4.27Å; V318-R494 HydrophobicContact CG2-CG 4.44Å; Y319-R494 PolarHBondContact N-O 3.12Å; R494-D506 IonicContact CZ-OD1 3.43Å; R494-D506 IonicContact CZ-OD2 3.3Å; R494-D506 IonicContact NE-OD1 3.88Å; R494-D506 PolarHBondContact NE-OD1 2.86Å; R494-D506 IonicContact NE-OD2 2.71Å; R494-D506 IonicContact NH2-OD1 3.69Å; R494-D506 PolarHBondContact NH2-OD1 3.25Å; R494-D506 IonicContact NH2-OD2 3.09Å; R494-D506 PolarHBondContact NH2-OD2 3.33Å; R494-E507 CarbonylContact C-O 3.57Å; R494-E507 VanDerWaalsContact CA-O 3.27Å; R494-E507 WeakPolarHBondContact CA-O 3.4Å; R494-A508 VanDerWaalsContact CA-O 3.22Å; R494-A508 WeakPolarHBondContact CA-O 3.4Å; R494-A508 PolarHBondContact N-O 3.47Å |
| 495 | L | 88.9 | Confident | 81 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 116.1 | -172.1 | -175.1 | 103.3 | 0 | 0 | 0 | 111.6 | V321 V488 H493 D506 E507 E511 | V321-L495 HydrophobicContact CB-CD1 4.44Å; V321-L495 HydrophobicContact CG1-CD1 3.74Å; V321-L495 HydrophobicContact CG2-CD1 3.81Å; V321-L495 HydrophobicContact CG2-CD2 4.2Å; V321-L495 HydrophobicContact CG2-CG 3.97Å; V488-L495 HydrophobicContact CG1-CD1 3.31Å; H493-L495 PolarHBondContact O-N 2.89Å; L495-D506 VanDerWaalsContact O-CA 3.28Å; L495-D506 WeakPolarHBondContact O-CA 3.4Å; L495-E507 PolarHBondContact N-O 3.01Å; L495-E507 PolarHBondContact O-N 2.84Å; L495-E511 WeakPolarHBondContact CD2-O 3.39Å |
| 496 | I | 91.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 110.5 | 170.5 | -59.3 | -173.6 | 0 | 0 | 0 | 109.2 | V310 V318 Y319 V320 V321 I498 I503 R505 D506 | V310-I496 HydrophobicContact CG2-CD1 3.56Å; V318-I496 HydrophobicContact CG1-CB 4.46Å; V318-I496 HydrophobicContact CG1-CD1 3.66Å; V318-I496 HydrophobicContact CG1-CG1 3.72Å; Y319-I496 PolarHBondContact O-N 2.86Å; V320-I496 CarbonylContact C-O 3.5Å; V320-I496 VanDerWaalsContact CA-O 3.29Å; V320-I496 WeakPolarHBondContact CA-O 3.3Å; V321-I496 PolarHBondContact N-O 2.91Å; I496-I498 HydrophobicContact CG2-CG1 4.25Å; I496-I503 HydrophobicContact CG2-CD1 3.68Å; I496-I503 HydrophobicContact CG2-CG1 3.8Å; I496-I503 HydrophobicContact CG2-CG2 4.02Å; I496-R505 CarbonylContact C-O 3.59Å; I496-R505 VanDerWaalsContact CA-O 3.31Å; I496-R505 WeakPolarHBondContact CA-O 3.4Å; I496-D506 HydrophobicContact CG1-CB 4.4Å |
| 497 | A | 86.1 | Confident | 82 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 127.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V321 I503 V504 R505 | V321-A497 HydrophobicContact CG2-CB 3.72Å; A497-I503 CarbonylContact O-C 3.54Å; A497-I503 WeakPolarHBondContact O-CA 3.1Å; A497-V504 HydrophobicContact CB-CG2 3.87Å; A497-V504 WeakPolarHBondContact O-CG2 3.12Å; A497-V504 PolarHBondContact O-N 2.89Å; A497-R505 HydrophobicContact CB-CB 3.85Å; A497-R505 HydrophobicContact CB-CG 4.31Å; A497-R505 PolarHBondContact N-O 3.27Å; A497-R505 PolarHBondContact O-N 2.88Å |
| 498 | I | 85.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.8 | 178.9 | -58 | -177.2 | 0 | 0 | 0 | 110.3 | I308 V320 V321 S326 F331 I496 L502 I503 | I308-I498 HydrophobicContact CD1-CD1 4.17Å; I308-I498 HydrophobicContact CD1-CG2 4.41Å; V320-I498 HydrophobicContact CG1-CD1 3.58Å; V320-I498 HydrophobicContact CG1-CG1 4.08Å; V321-I498 PolarHBondContact O-N 3.16Å; S326-I498 WeakPolarHBondContact CB-O 3.3Å; S326-I498 PolarHBondContact OG-O 2.74Å; F331-I498 HydrophobicContact CB-CD1 4.04Å; F331-I498 HydrophobicContact CD1-CD1 3.54Å; F331-I498 HydrophobicContact CD2-CD1 4.36Å; F331-I498 HydrophobicContact CE1-CD1 3.97Å; F331-I498 HydrophobicContact CG-CD1 3.74Å; I496-I498 HydrophobicContact CG2-CG1 4.25Å; I498-L502 CarbonylContact C-O 3.58Å; I498-L502 VanDerWaalsContact CA-O 3.28Å; I498-L502 WeakPolarHBondContact CA-O 3.47Å; I498-I503 HydrophobicContact CG1-CG1 4.25Å |
| 499 | E | 77.5 | Confident | 81.3 | Confident | 84 Ų | 84 | 52.9 Ų | 52.9 | 39% | 0.393 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 135.8 | 176.3 | -74 | 178.6 | -154.1 | 0 | 0 | 110.9 | P323 G501 L502 V504 | P323-E499 HydrophobicContact CG-CG 4.46Å; E499-G501 PolarHBondContact O-N 3.3Å; E499-L502 PolarHBondContact N-O 2.9Å; E499-L502 PolarHBondContact O-N 3.18Å; E499-V504 HydrophobicContact CB-CG1 3.98Å; E499-V504 HydrophobicContact CB-CG2 4.12Å; E499-V504 HydrophobicContact CG-CG2 3.94Å |
| 500 | N | 76.8 | Confident | 80.4 | Confident | 115 Ų | 115 | 51.1 Ų | 51.1 | 62% | 0.615 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 28 | 178.2 | -66.8 | -68.6 | 0 | 0 | 0 | 114.9 | R306 | R306-N500 VanDerWaalsContact CD-O 3.28Å; R306-N500 WeakPolarHBondContact CD-O 3.46Å; R306-N500 PolarHBondContact NE-O 3.13Å; R306-N500 VanDerWaalsContact NE-O 3.12Å; R306-N500 PolarHBondContact NH1-O 2.72Å |
| 501 | G | 80.4 | Confident | 79.9 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 8.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A304 V305 R306 S326 E499 | A304-G501 VanDerWaalsContact O-CA 3.24Å; A304-G501 WeakPolarHBondContact O-CA 3.27Å; V305-G501 CarbonylContact C-O 3.45Å; R306-G501 PolarHBondContact N-O 3.46Å; S326-G501 WeakPolarHBondContact O-CA 3.14Å; S326-G501 PolarHBondContact O-N 3.33Å; E499-G501 PolarHBondContact O-N 3.3Å |
| 502 | L | 83.5 | Confident | 79 | Confident | 81 Ų | 81 | 50.1 Ų | 50.1 | 42% | 0.424 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 146.5 | 179.2 | -72.6 | 156.9 | 0 | 0 | 0 | 110.6 | R306 I498 E499 | R306-L502 HydrophobicContact CB-CD2 4.29Å; R306-L502 HydrophobicContact CB-CG 4.29Å; R306-L502 WeakPolarHBondContact O-CD2 3.32Å; I498-L502 CarbonylContact C-O 3.58Å; I498-L502 VanDerWaalsContact CA-O 3.28Å; I498-L502 WeakPolarHBondContact CA-O 3.47Å; E499-L502 PolarHBondContact N-O 2.9Å; E499-L502 PolarHBondContact O-N 3.18Å |
| 503 | I | 86.3 | Confident | 77.7 | Confident | 44 Ų | 44 | 49.6 Ų | 49.6 | 23% | 0.226 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 127.8 | 162.3 | -65.5 | 179.9 | 0 | 0 | 0 | 108.2 | I308 V310 I496 A497 I498 R505 D506 | I308-I503 HydrophobicContact CD1-CG1 4.05Å; I308-I503 HydrophobicContact CG1-CG1 4.21Å; I308-I503 HydrophobicContact CG2-CD1 3.61Å; I308-I503 HydrophobicContact CG2-CG1 3.95Å; V310-I503 HydrophobicContact CB-CD1 3.98Å; V310-I503 HydrophobicContact CG2-CD1 4.3Å; I496-I503 HydrophobicContact CG2-CD1 3.68Å; I496-I503 HydrophobicContact CG2-CG1 3.8Å; I496-I503 HydrophobicContact CG2-CG2 4.02Å; A497-I503 CarbonylContact O-C 3.54Å; A497-I503 WeakPolarHBondContact O-CA 3.1Å; I498-I503 HydrophobicContact CG1-CG1 4.25Å; I503-R505 VanDerWaalsContact CG2-O 3.28Å; I503-R505 WeakPolarHBondContact CG2-O 3.33Å; I503-D506 HydrophobicContact CG2-CB 4.5Å |
| 504 | V | 76.8 | Confident | 75.6 | Confident | 72 Ų | 72 | 53.8 Ų | 53.8 | 44% | 0.436 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | -20.6 | 176.3 | -64.3 | 0 | 0 | 0 | 0 | 113.4 | A497 E499 | A497-V504 HydrophobicContact CB-CG2 3.87Å; A497-V504 WeakPolarHBondContact O-CG2 3.12Å; A497-V504 PolarHBondContact O-N 2.89Å; E499-V504 HydrophobicContact CB-CG1 3.98Å; E499-V504 HydrophobicContact CB-CG2 4.12Å; E499-V504 HydrophobicContact CG-CG2 3.94Å |
| 505 | R | 81.7 | Confident | 73.1 | Confident | 53 Ų | 53 | 56 Ų | 56 | 20% | 0.2 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 146.3 | 168.5 | -62.3 | -175.6 | -76.9 | 160.8 | -5.9 | 110.4 | I496 A497 I503 E511 Y512 D513 | I496-R505 CarbonylContact C-O 3.59Å; I496-R505 VanDerWaalsContact CA-O 3.31Å; I496-R505 WeakPolarHBondContact CA-O 3.4Å; A497-R505 HydrophobicContact CB-CB 3.85Å; A497-R505 HydrophobicContact CB-CG 4.31Å; A497-R505 PolarHBondContact N-O 3.27Å; A497-R505 PolarHBondContact O-N 2.88Å; I503-R505 VanDerWaalsContact CG2-O 3.28Å; I503-R505 WeakPolarHBondContact CG2-O 3.33Å; R505-E511 PolarHBondContact NH1-O 2.81Å; R505-Y512 PolarHBondContact NH2-O 3.19Å; R505-D513 PolarHBondContact NH1-O 3.05Å |
| 506 | D | 86.7 | Confident | 70.7 | Confident | 70 Ų | 70 | 64.9 Ų | 64.9 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 109.5 | 165.1 | -171.5 | -7.1 | 0 | 0 | 0 | 105.9 | R494 L495 I496 I503 | R494-D506 IonicContact CZ-OD1 3.43Å; R494-D506 IonicContact CZ-OD2 3.3Å; R494-D506 IonicContact NE-OD1 3.88Å; R494-D506 PolarHBondContact NE-OD1 2.86Å; R494-D506 IonicContact NE-OD2 2.71Å; R494-D506 IonicContact NH2-OD1 3.69Å; R494-D506 PolarHBondContact NH2-OD1 3.25Å; R494-D506 IonicContact NH2-OD2 3.09Å; R494-D506 PolarHBondContact NH2-OD2 3.33Å; L495-D506 VanDerWaalsContact O-CA 3.28Å; L495-D506 WeakPolarHBondContact O-CA 3.4Å; I496-D506 HydrophobicContact CG1-CB 4.4Å; I503-D506 HydrophobicContact CG2-CB 4.5Å |
| 507 | E | 78.5 | Confident | 68.2 | Low | 54 Ų | 54 | 70 Ų | 70 | 25% | 0.252 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 128.8 | -174.4 | -70 | -172 | -146.7 | 0 | 0 | 110.7 | R494 L495 E509 K515 | R494-E507 CarbonylContact C-O 3.57Å; R494-E507 VanDerWaalsContact CA-O 3.27Å; R494-E507 WeakPolarHBondContact CA-O 3.4Å; L495-E507 PolarHBondContact N-O 3.01Å; L495-E507 PolarHBondContact O-N 2.84Å; E507-E509 PolarHBondContact O-N 3.48Å; E507-E509 VanDerWaalsContact O-N 3.16Å; E507-K515 WeakPolarHBondContact OE2-CD 3.4Å; E507-K515 WeakPolarHBondContact OE2-CE 3.44Å; E507-K515 IonicContact OE2-NZ 3.57Å; E507-K515 PolarHBondContact OE2-NZ 2.81Å |
| 508 | A | 71 | Confident | 66.2 | Low | 80 Ų | 80 | 72.4 Ų | 72.4 | 66% | 0.661 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -28.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | H493 R494 | H493-A508 CarbonylContact C-O 3.54Å; R494-A508 VanDerWaalsContact CA-O 3.22Å; R494-A508 WeakPolarHBondContact CA-O 3.4Å; R494-A508 PolarHBondContact N-O 3.47Å |
| 509 | E | 73.2 | Confident | 64.3 | Low | 129 Ų | 129 | 78.1 Ų | 78.1 | 60% | 0.603 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.9 | 71.3 | 172.6 | -64.5 | -177.2 | 171 | 0 | 0 | 110 | R492 E507 K515 | R492-E509 HydrophobicContact CB-CB 4.48Å; R492-E509 WeakPolarHBondContact O-CA 3.28Å; R492-E509 WeakPolarHBondContact O-CB 3.35Å; R492-E509 WeakPolarHBondContact O-CG 3.45Å; E507-E509 PolarHBondContact O-N 3.48Å; E507-E509 VanDerWaalsContact O-N 3.16Å; E509-K515 WeakPolarHBondContact O-CE 3.24Å; E509-K515 PolarHBondContact O-NZ 3.36Å |
| 510 | G | 54.9 | Low | 62.7 | Low | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 40% | 0.396 | C | S | . | . | trans | -86.7 | 137.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 511 | E | 62.8 | Low | 61.5 | Low | 47 Ų | 47 | 73.6 Ų | 73.6 | 22% | 0.22 | 38% | 0.383 | C | S | . | . | trans | -79.7 | 146.9 | 165.5 | -71.5 | 167 | 178 | 0 | 0 | 109.4 | D489 R492 L495 R505 D513 K515 | D489-E511 WeakPolarHBondContact OD1-CA 3.31Å; R492-E511 IonicContact CZ-OE1 3.42Å; R492-E511 IonicContact NH1-OE1 3.66Å; R492-E511 PolarHBondContact NH1-OE1 3.2Å; R492-E511 IonicContact NH2-OE1 3.94Å; R492-E511 PolarHBondContact NH2-OE1 3.27Å; L495-E511 WeakPolarHBondContact CD2-O 3.39Å; R505-E511 PolarHBondContact NH1-O 2.81Å; E511-D513 CarbonylContact C-O 3.57Å; E511-D513 PolarHBondContact O-N 3.35Å; E511-K515 HydrophobicContact CB-CG 4.5Å; E511-K515 HydrophobicContact CG-CG 4.48Å; E511-K515 VanDerWaalsContact OE2-CG 3.29Å; E511-K515 WeakPolarHBondContact OE2-CG 3.4Å | ||
| 512 | Y | 57.9 | Low | 60.2 | Low | 49 Ų | 49 | 77.4 Ų | 77.4 | 19% | 0.192 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -63.1 | -35.2 | 176.1 | -163.9 | -83.5 | 0 | 0 | 0 | 110.8 | V321 K485 V488 D489 R505 | V321-Y512 HydrophobicContact CB-CD2 4.19Å; V321-Y512 HydrophobicContact CB-CE2 3.85Å; V321-Y512 HydrophobicContact CG1-CD2 3.88Å; V321-Y512 HydrophobicContact CG1-CE2 3.81Å; K485-Y512 HydrophobicContact CB-CD1 3.92Å; K485-Y512 HydrophobicContact CB-CD2 4.21Å; K485-Y512 HydrophobicContact CB-CE1 4.32Å; K485-Y512 HydrophobicContact CB-CG 3.86Å; K485-Y512 HydrophobicContact CD-CD1 4.06Å; K485-Y512 HydrophobicContact CD-CG 4.47Å; K485-Y512 HydrophobicContact CG-CD1 4.07Å; K485-Y512 HydrophobicContact CG-CG 4.01Å; V488-Y512 HydrophobicContact CB-CD2 4.19Å; V488-Y512 HydrophobicContact CG1-CD2 4.24Å; V488-Y512 HydrophobicContact CG2-CD2 4.24Å; D489-Y512 WeakPolarHBondContact OD1-CB 3.32Å; D489-Y512 PolarHBondContact OD1-N 2.84Å; R505-Y512 PolarHBondContact NH2-O 3.19Å |
| 513 | D | 52.3 | Low | 58.7 | Low | 85 Ų | 85 | 75.6 Ų | 75.6 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -85.4 | 176.1 | 169.7 | -77.4 | 13.1 | 0 | 0 | 0 | 112.6 | K485 R505 E511 | K485-D513 WeakPolarHBondContact CE-OD1 3.5Å; K485-D513 IonicContact NZ-OD1 3.61Å; K485-D513 PolarHBondContact NZ-OD1 2.88Å; K485-D513 IonicContact NZ-OD2 2.91Å; K485-D513 PolarHBondContact NZ-OD2 2.88Å; R505-D513 PolarHBondContact NH1-O 3.05Å; E511-D513 CarbonylContact C-O 3.57Å; E511-D513 PolarHBondContact O-N 3.35Å |
| 514 | V | 44.8 | Very low | 57.4 | Low | 130 Ų | 130 | 73.6 Ų | 73.6 | 79% | 0.788 | 39% | 0.389 | S | S | * | . | trans | -83.3 | 120.4 | -178.8 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 515 | K | 39.2 | Very low | 57 | Low | 81 Ų | 81 | 71.2 Ų | 71.2 | 35% | 0.352 | 38% | 0.375 | S | S | . | . | trans | -56.8 | 144.4 | -179.5 | -91.4 | 177.5 | -173.8 | 153.6 | 0 | 115 | E507 E509 E511 | E507-K515 WeakPolarHBondContact OE2-CD 3.4Å; E507-K515 WeakPolarHBondContact OE2-CE 3.44Å; E507-K515 IonicContact OE2-NZ 3.57Å; E507-K515 PolarHBondContact OE2-NZ 2.81Å; E509-K515 WeakPolarHBondContact O-CE 3.24Å; E509-K515 PolarHBondContact O-NZ 3.36Å; E511-K515 HydrophobicContact CB-CG 4.5Å; E511-K515 HydrophobicContact CG-CG 4.48Å; E511-K515 VanDerWaalsContact OE2-CG 3.29Å; E511-K515 WeakPolarHBondContact OE2-CG 3.4Å | ||
| 516 | R | 38 | Very low | 56 | Low | 186 Ų | 186 | 70.1 Ų | 70.1 | 70% | 0.702 | 38% | 0.375 | S | S | * | . | trans | -19.5 | 123.3 | 169.8 | -72.6 | 174 | 165.5 | -179.4 | -4.5 | 116.5 | G518 E697 | R516-G518 PolarHBondContact O-N 2.77Å; R516-E697 IonicContact CZ-OE1 2.72Å; R516-E697 IonicContact NE-OE1 3.61Å; R516-E697 PolarHBondContact NE-OE1 3.18Å; R516-E697 IonicContact NH2-OE1 3.42Å; R516-E697 PolarHBondContact NH2-OE1 2.9Å; R516-E697 IonicContact NH2-OE2 2.86Å | ||
| 517 | N | 39.3 | Very low | 54.8 | Low | 108 Ų | 108 | 68 Ų | 68 | 58% | 0.578 | 37% | 0.368 | S | S | * | . | trans | -77.5 | 97.5 | 159.7 | -84.7 | -29.7 | 0 | 0 | 0 | 111.2 | W519 M520 | N517-W519 HydrophobicContact CB-CB 4.47Å; N517-W519 PolarHBondContact O-N 2.79Å; N517-W519 VanDerWaalsContact O-N 3.15Å; N517-M520 HydrophobicContact CB-CB 4.33Å; N517-M520 HydrophobicContact CB-CG 3.85Å; N517-M520 WeakPolarHBondContact O-CB 3.46Å; N517-M520 PolarHBondContact O-N 3.13Å | ||
| 518 | G | 43.3 | Very low | 54.4 | Low | 52 Ų | 52 | 65.6 Ų | 65.6 | 54% | 0.536 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.6 | -21.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R516 M520 T521 L522 | R516-G518 PolarHBondContact O-N 2.77Å; G518-M520 VanDerWaalsContact C-N 3.27Å; G518-M520 PolarHBondContact O-N 3.38Å; G518-T521 WeakPolarHBondContact O-CB 3.22Å; G518-T521 PolarHBondContact O-N 2.8Å; G518-T521 VanDerWaalsContact O-N 3.17Å; G518-L522 PolarHBondContact O-N 2.86Å |
| 519 | W | 45 | Very low | 54.6 | Low | 119 Ų | 119 | 62.9 Ų | 62.9 | 45% | 0.451 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.9 | -22.6 | 169.4 | -58.2 | 108.1 | 0 | 0 | 0 | 114.2 | N517 T521 L522 A523 R1764 P1768 | N517-W519 HydrophobicContact CB-CB 4.47Å; N517-W519 PolarHBondContact O-N 2.79Å; N517-W519 VanDerWaalsContact O-N 3.15Å; W519-T521 VanDerWaalsContact C-N 3.34Å; W519-L522 HydrophobicContact CE3-CB 4.4Å; W519-L522 HydrophobicContact CE3-CD2 3.62Å; W519-L522 HydrophobicContact CZ3-CD2 3.47Å; W519-L522 VanDerWaalsContact CZ3-CD2 3.47Å; W519-L522 PolarHBondContact O-N 3.42Å; W519-A523 WeakPolarHBondContact O-CB 3.46Å; W519-A523 PolarHBondContact O-N 2.87Å; W519-R1764 WeakPolarHBondContact CZ2-O 3.4Å; W519-P1768 HydrophobicContact CD2-CG 4.14Å; W519-P1768 HydrophobicContact CE3-CB 3.77Å; W519-P1768 HydrophobicContact CE3-CG 3.75Å; W519-P1768 HydrophobicContact CH2-CB 4.04Å; W519-P1768 HydrophobicContact CH2-CG 3.73Å; W519-P1768 HydrophobicContact CZ2-CG 4.1Å; W519-P1768 HydrophobicContact CZ3-CB 3.43Å; W519-P1768 VanDerWaalsContact CZ3-CB 3.43Å; W519-P1768 HydrophobicContact CZ3-CG 3.53Å |
| 520 | M | 44.6 | Very low | 54.2 | Low | 50 Ų | 50 | 59 Ų | 59 | 25% | 0.246 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67 | -38.4 | 170.7 | -80.6 | -63.3 | -54.7 | 0 | 0 | 111.1 | N517 G518 S524 I689 T690 | N517-M520 HydrophobicContact CB-CB 4.33Å; N517-M520 HydrophobicContact CB-CG 3.85Å; N517-M520 WeakPolarHBondContact O-CB 3.46Å; N517-M520 PolarHBondContact O-N 3.13Å; G518-M520 VanDerWaalsContact C-N 3.27Å; G518-M520 PolarHBondContact O-N 3.38Å; M520-S524 WeakPolarHBondContact O-CB 3.37Å; M520-S524 PolarHBondContact O-N 2.75Å; M520-S524 PolarHBondContact O-OG 3.23Å; M520-I689 HydrophobicContact CE-CB 4.08Å; M520-I689 HydrophobicContact CE-CG2 3.57Å; M520-T690 WeakPolarHBondContact CE-OG1 3.46Å |
| 521 | T | 52 | Low | 54.7 | Low | 54 Ų | 54 | 59.9 Ų | 59.9 | 33% | 0.331 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 173.8 | -41.7 | 0 | 0 | 0 | 0 | 110.4 | G518 W519 S524 V525 I722 | G518-T521 WeakPolarHBondContact O-CB 3.22Å; G518-T521 PolarHBondContact O-N 2.8Å; G518-T521 VanDerWaalsContact O-N 3.17Å; W519-T521 VanDerWaalsContact C-N 3.34Å; T521-S524 WeakPolarHBondContact O-CB 3.33Å; T521-S524 PolarHBondContact O-N 3.35Å; T521-V525 WeakPolarHBondContact O-CG2 3.23Å; T521-V525 PolarHBondContact O-N 2.67Å; T521-I722 HydrophobicContact CG2-CD1 4.03Å; T521-I722 HydrophobicContact CG2-CG1 4.06Å |
| 522 | L | 53.2 | Low | 55.3 | Low | 81 Ų | 81 | 58 Ų | 58 | 42% | 0.424 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 177.5 | -162.4 | 74.7 | 0 | 0 | 0 | 113 | G518 W519 S524 V525 S526 | G518-L522 PolarHBondContact O-N 2.86Å; W519-L522 HydrophobicContact CE3-CB 4.4Å; W519-L522 HydrophobicContact CE3-CD2 3.62Å; W519-L522 HydrophobicContact CZ3-CD2 3.47Å; W519-L522 VanDerWaalsContact CZ3-CD2 3.47Å; W519-L522 PolarHBondContact O-N 3.42Å; L522-S524 VanDerWaalsContact C-N 3.31Å; L522-V525 PolarHBondContact O-N 3.43Å; L522-S526 WeakPolarHBondContact O-CB 3.44Å; L522-S526 PolarHBondContact O-N 3.28Å; L522-S526 PolarHBondContact O-OG 2.99Å |
| 523 | A | 51.5 | Low | 56 | Low | 44 Ų | 44 | 55.9 Ų | 55.9 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | W519 S526 A527 | W519-A523 WeakPolarHBondContact O-CB 3.46Å; W519-A523 PolarHBondContact O-N 2.87Å; A523-S526 WeakPolarHBondContact CA-OG 3.49Å; A523-S526 PolarHBondContact O-OG 3.29Å; A523-A527 WeakPolarHBondContact O-CB 3.34Å; A523-A527 PolarHBondContact O-N 2.72Å |
| 524 | S | 59.4 | Low | 56.6 | Low | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64 | -49.2 | 172.7 | -58.5 | 0 | 0 | 0 | 0 | 112 | M520 T521 L522 S526 A527 V528 T690 | M520-S524 WeakPolarHBondContact O-CB 3.37Å; M520-S524 PolarHBondContact O-N 2.75Å; M520-S524 PolarHBondContact O-OG 3.23Å; T521-S524 WeakPolarHBondContact O-CB 3.33Å; T521-S524 PolarHBondContact O-N 3.35Å; L522-S524 VanDerWaalsContact C-N 3.31Å; S524-S526 VanDerWaalsContact C-N 3.33Å; S524-S526 PolarHBondContact O-N 2.65Å; S524-A527 PolarHBondContact O-N 2.73Å; S524-V528 WeakPolarHBondContact O-CB 3.23Å; S524-V528 VanDerWaalsContact O-CG2 3.25Å; S524-V528 WeakPolarHBondContact O-CG2 3.32Å; S524-V528 PolarHBondContact O-N 3.44Å; S524-T690 PolarHBondContact OG-OG1 3.35Å |
| 525 | V | 67.8 | Low | 57.7 | Low | 23 Ų | 23 | 50.2 Ų | 50.2 | 14% | 0.139 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 177.8 | 167.5 | 0 | 0 | 0 | 0 | 111.4 | T521 L522 T529 I722 I725 | T521-V525 WeakPolarHBondContact O-CG2 3.23Å; T521-V525 PolarHBondContact O-N 2.67Å; L522-V525 PolarHBondContact O-N 3.43Å; V525-T529 VanDerWaalsContact O-CB 3.29Å; V525-T529 WeakPolarHBondContact O-CB 3.38Å; V525-T529 PolarHBondContact O-N 3Å; V525-T529 PolarHBondContact O-OG1 2.86Å; V525-I722 HydrophobicContact CG2-CG2 4.01Å; V525-I725 HydrophobicContact CG1-CG2 3.85Å; V525-I725 HydrophobicContact CG2-CG2 4.23Å |
| 526 | S | 60 | Low | 59.6 | Low | 30 Ų | 30 | 46.4 Ų | 46.4 | 21% | 0.21 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.4 | -39.7 | 178.2 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | L522 A523 S524 V528 T529 I530 | L522-S526 WeakPolarHBondContact O-CB 3.44Å; L522-S526 PolarHBondContact O-N 3.28Å; L522-S526 PolarHBondContact O-OG 2.99Å; A523-S526 WeakPolarHBondContact CA-OG 3.49Å; A523-S526 PolarHBondContact O-OG 3.29Å; S524-S526 VanDerWaalsContact C-N 3.33Å; S524-S526 PolarHBondContact O-N 2.65Å; S526-V528 PolarHBondContact O-N 3.19Å; S526-T529 WeakPolarHBondContact O-CB 3.44Å; S526-T529 PolarHBondContact O-N 3.17Å; S526-I530 WeakPolarHBondContact O-CD1 3.22Å; S526-I530 VanDerWaalsContact O-CG1 3.25Å; S526-I530 WeakPolarHBondContact O-CG1 3.48Å; S526-I530 PolarHBondContact O-N 3.41Å |
| 527 | A | 62.9 | Low | 61.3 | Low | 26 Ų | 26 | 39.6 Ų | 39.6 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -44.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A523 S524 T531 T686 | A523-A527 WeakPolarHBondContact O-CB 3.34Å; A523-A527 PolarHBondContact O-N 2.72Å; S524-A527 PolarHBondContact O-N 2.73Å; A527-T531 WeakPolarHBondContact O-CB 3.23Å; A527-T531 PolarHBondContact O-N 3.19Å; A527-T531 VanDerWaalsContact O-N 3.08Å; A527-T531 PolarHBondContact O-OG1 2.95Å; A527-T686 HydrophobicContact CB-CG2 4.34Å |
| 528 | V | 69.5 | Low | 62.7 | Low | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.8 | -47.2 | 171.4 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | S524 S526 T531 L532 I683 | S524-V528 WeakPolarHBondContact O-CB 3.23Å; S524-V528 VanDerWaalsContact O-CG2 3.25Å; S524-V528 WeakPolarHBondContact O-CG2 3.32Å; S524-V528 PolarHBondContact O-N 3.44Å; S526-V528 PolarHBondContact O-N 3.19Å; V528-T531 PolarHBondContact O-N 3.44Å; V528-L532 HydrophobicContact CG1-CD1 3.58Å; V528-L532 HydrophobicContact CG1-CG 4.12Å; V528-L532 WeakPolarHBondContact O-CB 3.31Å; V528-L532 WeakPolarHBondContact O-CG 3.45Å; V528-L532 PolarHBondContact O-N 2.86Å; V528-I683 HydrophobicContact CB-CD1 4.41Å; V528-I683 HydrophobicContact CG1-CD1 4.37Å; V528-I683 HydrophobicContact CG2-CB 4.37Å; V528-I683 HydrophobicContact CG2-CD1 4.05Å; V528-I683 HydrophobicContact CG2-CG1 3.85Å; V528-I683 HydrophobicContact CG2-CG2 3.68Å |
| 529 | T | 74.6 | Confident | 64.2 | Low | 24 Ų | 24 | 38.5 Ų | 38.5 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.9 | -53.3 | 179.6 | -65 | 0 | 0 | 0 | 0 | 112.2 | V525 S526 T531 L532 T533 G726 V729 P730 | V525-T529 VanDerWaalsContact O-CB 3.29Å; V525-T529 WeakPolarHBondContact O-CB 3.38Å; V525-T529 PolarHBondContact O-N 3Å; V525-T529 PolarHBondContact O-OG1 2.86Å; S526-T529 WeakPolarHBondContact O-CB 3.44Å; S526-T529 PolarHBondContact O-N 3.17Å; T529-T531 VanDerWaalsContact C-N 3.31Å; T529-T531 PolarHBondContact O-N 2.99Å; T529-L532 PolarHBondContact O-N 3.31Å; T529-T533 WeakPolarHBondContact O-CB 2.87Å; T529-T533 PolarHBondContact O-N 2.94Å; T529-T533 PolarHBondContact O-OG1 2.94Å; T529-G726 WeakPolarHBondContact CA-O 3.49Å; T529-G726 PolarHBondContact OG1-O 3.09Å; T529-V729 HydrophobicContact CG2-CB 4.11Å; T529-V729 HydrophobicContact CG2-CG1 4.15Å; T529-P730 HydrophobicContact CG2-CG 4.05Å; T529-P730 VanDerWaalsContact O-CG 3.3Å; T529-P730 WeakPolarHBondContact O-CG 3.42Å |
| 530 | I | 64.6 | Low | 65.7 | Low | 47 Ų | 47 | 33.2 Ų | 33.2 | 24% | 0.241 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.8 | -45.8 | -179.5 | -65.3 | 158 | 0 | 0 | 0 | 109.7 | S526 T533 M534 G1775 P1777 | S526-I530 WeakPolarHBondContact O-CD1 3.22Å; S526-I530 VanDerWaalsContact O-CG1 3.25Å; S526-I530 WeakPolarHBondContact O-CG1 3.48Å; S526-I530 PolarHBondContact O-N 3.41Å; I530-T533 PolarHBondContact O-N 3.48Å; I530-M534 HydrophobicContact CG2-SD 4.21Å; I530-M534 WeakPolarHBondContact O-CG 3.21Å; I530-M534 PolarHBondContact O-N 3.37Å; I530-G1775 VanDerWaalsContact CD1-O 3.28Å; I530-G1775 WeakPolarHBondContact CD1-O 3.4Å; I530-G1775 WeakPolarHBondContact CG1-O 3.49Å; I530-G1775 WeakPolarHBondContact CG2-O 3.48Å; I530-P1777 HydrophobicContact CG2-CG 4.05Å |
| 531 | T | 65 | Low | 67 | Low | 18 Ų | 18 | 34.9 Ų | 34.9 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -49.3 | -179.3 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | A527 V528 T529 M534 A535 A679 I683 | A527-T531 WeakPolarHBondContact O-CB 3.23Å; A527-T531 PolarHBondContact O-N 3.19Å; A527-T531 VanDerWaalsContact O-N 3.08Å; A527-T531 PolarHBondContact O-OG1 2.95Å; V528-T531 PolarHBondContact O-N 3.44Å; T529-T531 VanDerWaalsContact C-N 3.31Å; T529-T531 PolarHBondContact O-N 2.99Å; T531-M534 PolarHBondContact O-N 2.82Å; T531-A535 WeakPolarHBondContact O-CB 3.02Å; T531-A535 PolarHBondContact O-N 3.04Å; T531-A679 HydrophobicContact CG2-CB 3.16Å; T531-I683 HydrophobicContact CG2-CD1 3.71Å; T531-I683 HydrophobicContact CG2-CG1 4.07Å |
| 532 | L | 76.6 | Confident | 67.7 | Low | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.2 | -35.6 | 178 | -70.1 | 177.4 | 0 | 0 | 0 | 111.7 | V528 T529 A535 G536 P730 M770 | V528-L532 HydrophobicContact CG1-CD1 3.58Å; V528-L532 HydrophobicContact CG1-CG 4.12Å; V528-L532 WeakPolarHBondContact O-CB 3.31Å; V528-L532 WeakPolarHBondContact O-CG 3.45Å; V528-L532 PolarHBondContact O-N 2.86Å; T529-L532 PolarHBondContact O-N 3.31Å; L532-A535 PolarHBondContact O-N 3.29Å; L532-G536 PolarHBondContact O-N 3.36Å; L532-P730 HydrophobicContact CB-CB 4.16Å; L532-P730 HydrophobicContact CB-CG 3.99Å; L532-M770 HydrophobicContact CB-CE 4.42Å; L532-M770 WeakPolarHBondContact O-CE 2.94Å |
| 533 | T | 73 | Confident | 68.9 | Low | 4 Ų | 4 | 31.8 Ų | 31.8 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -48.8 | 173.5 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | T529 I530 G536 I537 P730 I733 V1780 | T529-T533 WeakPolarHBondContact O-CB 2.87Å; T529-T533 PolarHBondContact O-N 2.94Å; T529-T533 PolarHBondContact O-OG1 2.94Å; I530-T533 PolarHBondContact O-N 3.48Å; T533-G536 PolarHBondContact O-N 3Å; T533-I537 HydrophobicContact CG2-CD1 3.79Å; T533-I537 HydrophobicContact CG2-CG1 4.47Å; T533-I537 WeakPolarHBondContact O-CB 3.4Å; T533-I537 VanDerWaalsContact O-CG1 3.26Å; T533-I537 WeakPolarHBondContact O-CG1 3.33Å; T533-I537 PolarHBondContact O-N 3.11Å; T533-P730 WeakPolarHBondContact OG1-CG 3.33Å; T533-I733 HydrophobicContact CG2-CG2 4.49Å; T533-V1780 HydrophobicContact CG2-CG2 4.08Å |
| 534 | M | 63.4 | Low | 70.1 | Confident | 77 Ų | 77 | 30.2 Ų | 30.2 | 38% | 0.379 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.9 | -48 | 176.8 | -72.1 | 177.7 | 64.9 | 0 | 0 | 111.5 | I530 T531 G536 I537 F538 P1777 | I530-M534 HydrophobicContact CG2-SD 4.21Å; I530-M534 WeakPolarHBondContact O-CG 3.21Å; I530-M534 PolarHBondContact O-N 3.37Å; T531-M534 PolarHBondContact O-N 2.82Å; M534-G536 PolarHBondContact O-N 2.69Å; M534-I537 PolarHBondContact O-N 3.36Å; M534-F538 WeakPolarHBondContact O-CB 3.16Å; M534-F538 WeakPolarHBondContact O-CD2 3.28Å; M534-F538 PolarHBondContact O-N 3.2Å; M534-P1777 HydrophobicContact CG-CG 4.02Å; M534-P1777 HydrophobicContact SD-CG 4.26Å |
| 535 | A | 70 | Confident | 70.5 | Confident | 20 Ų | 20 | 31.8 Ų | 31.8 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.4 | -45.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T531 L532 L539 | T531-A535 WeakPolarHBondContact O-CB 3.02Å; T531-A535 PolarHBondContact O-N 3.04Å; L532-A535 PolarHBondContact O-N 3.29Å; A535-L539 VanDerWaalsContact O-CB 3.28Å; A535-L539 WeakPolarHBondContact O-CB 3.37Å; A535-L539 PolarHBondContact O-N 3.5Å |
| 536 | G | 78.3 | Confident | 70.5 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69 | -40.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L532 T533 M534 L539 A540 | L532-G536 PolarHBondContact O-N 3.36Å; T533-G536 PolarHBondContact O-N 3Å; M534-G536 PolarHBondContact O-N 2.69Å; G536-L539 PolarHBondContact O-N 2.86Å; G536-A540 WeakPolarHBondContact O-CB 3.4Å; G536-A540 PolarHBondContact O-N 3.29Å |
| 537 | I | 74.2 | Confident | 71.3 | Confident | 42 Ų | 42 | 32.7 Ų | 32.7 | 22% | 0.215 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.7 | -48.7 | 173.4 | -70.5 | 171.4 | 0 | 0 | 0 | 110.3 | T533 M534 L539 A540 V541 L734 V1779 | T533-I537 HydrophobicContact CG2-CD1 3.79Å; T533-I537 HydrophobicContact CG2-CG1 4.47Å; T533-I537 WeakPolarHBondContact O-CB 3.4Å; T533-I537 VanDerWaalsContact O-CG1 3.26Å; T533-I537 WeakPolarHBondContact O-CG1 3.33Å; T533-I537 PolarHBondContact O-N 3.11Å; M534-I537 PolarHBondContact O-N 3.36Å; I537-L539 PolarHBondContact O-N 2.96Å; I537-A540 PolarHBondContact O-N 3.44Å; I537-V541 WeakPolarHBondContact O-CG2 3.38Å; I537-V541 PolarHBondContact O-N 2.93Å; I537-L734 HydrophobicContact CG1-CD2 3.77Å; I537-V1779 HydrophobicContact CD1-CG1 4.19Å |
| 538 | F | 68.5 | Low | 71.5 | Confident | 91 Ų | 91 | 33.5 Ų | 33.5 | 40% | 0.399 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 178.1 | -88.1 | -75.1 | 0 | 0 | 0 | 112.2 | M534 V541 I542 L675 | M534-F538 WeakPolarHBondContact O-CB 3.16Å; M534-F538 WeakPolarHBondContact O-CD2 3.28Å; M534-F538 PolarHBondContact O-N 3.2Å; F538-V541 PolarHBondContact O-N 2.85Å; F538-I542 HydrophobicContact CB-CD1 4.37Å; F538-I542 WeakPolarHBondContact O-CB 3.31Å; F538-I542 WeakPolarHBondContact O-CD1 3.24Å; F538-I542 WeakPolarHBondContact O-CG1 3.37Å; F538-I542 PolarHBondContact O-N 2.9Å; F538-L675 HydrophobicContact CB-CD1 3.5Å; F538-L675 VanDerWaalsContact CB-CD1 3.5Å; F538-L675 HydrophobicContact CD1-CD1 3.7Å; F538-L675 HydrophobicContact CD2-CD1 3.49Å; F538-L675 VanDerWaalsContact CD2-CD1 3.49Å; F538-L675 HydrophobicContact CD2-CD2 4.22Å; F538-L675 HydrophobicContact CE1-CD1 4.26Å; F538-L675 HydrophobicContact CE2-CD1 4.08Å; F538-L675 HydrophobicContact CE2-CD2 4.33Å; F538-L675 HydrophobicContact CG-CD1 3.28Å; F538-L675 HydrophobicContact CZ-CD1 4.43Å |
| 539 | L | 74.1 | Confident | 71.3 | Confident | 47 Ų | 47 | 34.1 Ų | 34.1 | 25% | 0.246 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 176.2 | -170.1 | 61.9 | 0 | 0 | 0 | 111.2 | A535 G536 I537 V541 I542 M543 L766 T769 | A535-L539 VanDerWaalsContact O-CB 3.28Å; A535-L539 WeakPolarHBondContact O-CB 3.37Å; A535-L539 PolarHBondContact O-N 3.5Å; G536-L539 PolarHBondContact O-N 2.86Å; I537-L539 PolarHBondContact O-N 2.96Å; L539-V541 PolarHBondContact O-N 3.41Å; L539-I542 PolarHBondContact O-N 3.04Å; L539-M543 HydrophobicContact CD1-CG 4.43Å; L539-M543 HydrophobicContact CD1-SD 4.46Å; L539-M543 HydrophobicContact CG-CG 4.47Å; L539-M543 HydrophobicContact CG-SD 4.04Å; L539-M543 WeakPolarHBondContact O-CB 3.43Å; L539-M543 VanDerWaalsContact O-CG 3.23Å; L539-M543 WeakPolarHBondContact O-CG 3.14Å; L539-M543 PolarHBondContact O-N 3.32Å; L539-L766 HydrophobicContact CB-CD2 4.07Å; L539-L766 HydrophobicContact CD2-CD2 4.1Å; L539-L766 HydrophobicContact CG-CD2 4.15Å; L539-T769 HydrophobicContact CD2-CG2 4.01Å |
| 540 | A | 76.9 | Confident | 71 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G536 I537 N544 Y738 I762 L766 | G536-A540 WeakPolarHBondContact O-CB 3.4Å; G536-A540 PolarHBondContact O-N 3.29Å; I537-A540 PolarHBondContact O-N 3.44Å; A540-N544 WeakPolarHBondContact O-CB 3.37Å; A540-N544 PolarHBondContact O-N 2.8Å; A540-N544 VanDerWaalsContact O-N 3.11Å; A540-N544 PolarHBondContact O-ND2 2.91Å; A540-Y738 HydrophobicContact CB-CD2 4.45Å; A540-I762 HydrophobicContact CB-CD1 4.4Å; A540-L766 HydrophobicContact CB-CD1 3.88Å; A540-L766 HydrophobicContact CB-CD2 4.13Å |
| 541 | V | 71 | Confident | 71.1 | Confident | 85 Ų | 85 | 36.5 Ų | 36.5 | 52% | 0.515 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.7 | -46.2 | 174.8 | 169.3 | 0 | 0 | 0 | 0 | 111 | I537 F538 L539 N544 A545 | I537-V541 WeakPolarHBondContact O-CG2 3.38Å; I537-V541 PolarHBondContact O-N 2.93Å; F538-V541 PolarHBondContact O-N 2.85Å; L539-V541 PolarHBondContact O-N 3.41Å; V541-N544 PolarHBondContact O-N 2.82Å; V541-A545 WeakPolarHBondContact O-CB 3.48Å; V541-A545 PolarHBondContact O-N 2.88Å |
| 542 | I | 68 | Low | 71.1 | Confident | 21 Ų | 21 | 37.9 Ų | 37.9 | 11% | 0.108 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69 | -38.9 | -177.3 | -69.3 | 160.4 | 0 | 0 | 0 | 111.2 | F538 L539 T546 A671 A672 | F538-I542 HydrophobicContact CB-CD1 4.37Å; F538-I542 WeakPolarHBondContact O-CB 3.31Å; F538-I542 WeakPolarHBondContact O-CD1 3.24Å; F538-I542 WeakPolarHBondContact O-CG1 3.37Å; F538-I542 PolarHBondContact O-N 2.9Å; L539-I542 PolarHBondContact O-N 3.04Å; I542-T546 VanDerWaalsContact O-CB 3.29Å; I542-T546 WeakPolarHBondContact O-CB 3.23Å; I542-T546 PolarHBondContact O-N 3.46Å; I542-T546 PolarHBondContact O-OG1 2.89Å; I542-A671 HydrophobicContact CD1-CB 4.44Å; I542-A672 HydrophobicContact CD1-CB 3.98Å |
| 543 | M | 77.5 | Confident | 70.3 | Confident | 49 Ų | 49 | 38.8 Ų | 38.8 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -45.4 | 173.7 | -72.9 | 175.6 | 73.1 | 0 | 0 | 111.6 | L539 T546 K547 L757 I762 I765 | L539-M543 HydrophobicContact CD1-CG 4.43Å; L539-M543 HydrophobicContact CD1-SD 4.46Å; L539-M543 HydrophobicContact CG-CG 4.47Å; L539-M543 HydrophobicContact CG-SD 4.04Å; L539-M543 WeakPolarHBondContact O-CB 3.43Å; L539-M543 VanDerWaalsContact O-CG 3.23Å; L539-M543 WeakPolarHBondContact O-CG 3.14Å; L539-M543 PolarHBondContact O-N 3.32Å; M543-T546 PolarHBondContact O-N 2.87Å; M543-K547 WeakPolarHBondContact O-CB 3.35Å; M543-K547 PolarHBondContact O-N 3.03Å; M543-L757 HydrophobicContact CB-CD1 3.95Å; M543-L757 HydrophobicContact CE-CD1 4.11Å; M543-I762 HydrophobicContact CB-CD1 4.1Å; M543-I762 HydrophobicContact CE-CD1 4.24Å; M543-I762 HydrophobicContact CE-CG1 3.91Å; M543-I762 HydrophobicContact SD-CD1 4.15Å; M543-I762 HydrophobicContact SD-CG1 4.11Å; M543-I765 HydrophobicContact CE-CD1 4.28Å; M543-I765 HydrophobicContact CE-CG2 4.42Å |
| 544 | N | 78 | Confident | 69.8 | Low | 12 Ų | 12 | 40.2 Ų | 40.2 | 6% | 0.064 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -72.4 | -37.3 | 178 | -77.4 | -82.2 | 0 | 0 | 0 | 112.8 | A540 V541 T546 K547 L548 Y738 L756 L757 I762 | A540-N544 WeakPolarHBondContact O-CB 3.37Å; A540-N544 PolarHBondContact O-N 2.8Å; A540-N544 VanDerWaalsContact O-N 3.11Å; A540-N544 PolarHBondContact O-ND2 2.91Å; V541-N544 PolarHBondContact O-N 2.82Å; N544-T546 VanDerWaalsContact C-N 3.3Å; N544-T546 PolarHBondContact O-N 3.31Å; N544-K547 PolarHBondContact O-N 3.33Å; N544-L548 WeakPolarHBondContact O-CB 3.19Å; N544-L548 VanDerWaalsContact O-CG 3.25Å; N544-L548 WeakPolarHBondContact O-CG 3.41Å; N544-L548 PolarHBondContact O-N 2.83Å; N544-Y738 VanDerWaalsContact CG-OH 3.31Å; N544-Y738 WeakPolarHBondContact ND2-CE2 3.42Å; N544-Y738 PolarHBondContact ND2-OH 3.27Å; N544-Y738 PolarHBondContact OD1-OH 3.14Å; N544-L756 HydrophobicContact CB-CD2 4.05Å; N544-L757 PolarHBondContact OD1-N 3.13Å; N544-I762 WeakPolarHBondContact ND2-CD1 3.46Å |
| 545 | A | 66.2 | Low | 69.9 | Low | 33 Ų | 33 | 40.2 Ų | 40.2 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65 | -35.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V541 A549 V664 | V541-A545 WeakPolarHBondContact O-CB 3.48Å; V541-A545 PolarHBondContact O-N 2.88Å; A545-A549 WeakPolarHBondContact O-CB 3.43Å; A545-A549 PolarHBondContact O-N 2.93Å; A545-V664 HydrophobicContact CB-CG1 3.71Å |
| 546 | T | 68.6 | Low | 69.6 | Low | 26 Ų | 26 | 40.1 Ų | 40.1 | 16% | 0.16 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.4 | -42.9 | 173 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | I542 M543 N544 A549 Q550 R665 | I542-T546 VanDerWaalsContact O-CB 3.29Å; I542-T546 WeakPolarHBondContact O-CB 3.23Å; I542-T546 PolarHBondContact O-N 3.46Å; I542-T546 PolarHBondContact O-OG1 2.89Å; M543-T546 PolarHBondContact O-N 2.87Å; N544-T546 VanDerWaalsContact C-N 3.3Å; N544-T546 PolarHBondContact O-N 3.31Å; T546-A549 PolarHBondContact O-N 3.42Å; T546-Q550 WeakPolarHBondContact O-CG 3.27Å; T546-Q550 PolarHBondContact O-N 2.93Å; T546-R665 HydrophobicContact CG2-CG 4.15Å |
| 547 | K | 76.2 | Confident | 69.4 | Low | 47 Ų | 47 | 43.9 Ų | 43.9 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 175.1 | 166.5 | 58.5 | -178.4 | 158.7 | 0 | 111.8 | M543 N544 A549 Q550 D551 E755 L757 | M543-K547 WeakPolarHBondContact O-CB 3.35Å; M543-K547 PolarHBondContact O-N 3.03Å; N544-K547 PolarHBondContact O-N 3.33Å; K547-A549 PolarHBondContact O-N 2.68Å; K547-Q550 PolarHBondContact O-N 3.45Å; K547-D551 WeakPolarHBondContact CE-OD2 3.45Å; K547-D551 IonicContact NZ-OD1 3.44Å; K547-D551 PolarHBondContact NZ-OD1 2.91Å; K547-D551 IonicContact NZ-OD2 2.65Å; K547-D551 PolarHBondContact NZ-OD2 2.79Å; K547-D551 PolarHBondContact O-N 3.41Å; K547-E755 WeakPolarHBondContact CE-O 3.3Å; K547-E755 WeakPolarHBondContact CG-O 3.17Å; K547-L757 HydrophobicContact CB-CG 4.34Å; K547-L757 HydrophobicContact CG-CD2 4.4Å; K547-L757 HydrophobicContact CG-CG 4.26Å |
| 548 | L | 67.5 | Low | 69.7 | Low | 43 Ų | 43 | 41.9 Ų | 41.9 | 23% | 0.225 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 173.9 | -71 | 170.4 | 0 | 0 | 0 | 111.3 | N544 Q550 D551 V552 L754 L756 | N544-L548 WeakPolarHBondContact O-CB 3.19Å; N544-L548 VanDerWaalsContact O-CG 3.25Å; N544-L548 WeakPolarHBondContact O-CG 3.41Å; N544-L548 PolarHBondContact O-N 2.83Å; L548-Q550 VanDerWaalsContact C-N 3.33Å; L548-Q550 PolarHBondContact O-N 3.34Å; L548-D551 PolarHBondContact O-N 3.33Å; L548-V552 VanDerWaalsContact O-CG2 3.31Å; L548-V552 WeakPolarHBondContact O-CG2 3.31Å; L548-V552 PolarHBondContact O-N 3.12Å; L548-L754 HydrophobicContact CD2-CB 3.89Å; L548-L754 HydrophobicContact CD2-CD1 4.33Å; L548-L754 HydrophobicContact CD2-CG 4.48Å; L548-L756 HydrophobicContact CD1-CD2 4.02Å; L548-L756 HydrophobicContact CD2-CD2 4.36Å; L548-L756 HydrophobicContact CG-CD2 4.27Å |
| 549 | A | 65.9 | Low | 70.4 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 12% | 0.124 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A545 T546 K547 V552 E553 A661 | A545-A549 WeakPolarHBondContact O-CB 3.43Å; A545-A549 PolarHBondContact O-N 2.93Å; T546-A549 PolarHBondContact O-N 3.42Å; K547-A549 PolarHBondContact O-N 2.68Å; A549-V552 PolarHBondContact O-N 3.5Å; A549-E553 WeakPolarHBondContact O-CB 3.26Å; A549-E553 PolarHBondContact O-N 2.76Å; A549-A661 HydrophobicContact CB-CB 3.76Å |
| 550 | Q | 67.1 | Low | 71 | Confident | 89 Ų | 89 | 37.3 Ų | 37.3 | 42% | 0.416 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.6 | -38 | 174.9 | -72.9 | -180 | -65.5 | 0 | 0 | 112.8 | T546 K547 L548 G554 | T546-Q550 WeakPolarHBondContact O-CG 3.27Å; T546-Q550 PolarHBondContact O-N 2.93Å; K547-Q550 PolarHBondContact O-N 3.45Å; L548-Q550 VanDerWaalsContact C-N 3.33Å; L548-Q550 PolarHBondContact O-N 3.34Å; Q550-G554 PolarHBondContact O-N 3.17Å |
| 551 | D | 67 | Low | 71.5 | Confident | 32 Ų | 32 | 38.6 Ų | 38.6 | 17% | 0.171 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69 | -36.8 | 177 | -74.7 | -2.6 | 0 | 0 | 0 | 111.7 | K547 L548 N555 L754 E755 | K547-D551 WeakPolarHBondContact CE-OD2 3.45Å; K547-D551 IonicContact NZ-OD1 3.44Å; K547-D551 PolarHBondContact NZ-OD1 2.91Å; K547-D551 IonicContact NZ-OD2 2.65Å; K547-D551 PolarHBondContact NZ-OD2 2.79Å; K547-D551 PolarHBondContact O-N 3.41Å; L548-D551 PolarHBondContact O-N 3.33Å; D551-N555 WeakPolarHBondContact O-CB 3.44Å; D551-N555 PolarHBondContact O-N 3.01Å; D551-N555 PolarHBondContact O-ND2 3.18Å; D551-L754 HydrophobicContact CB-CD2 3.87Å; D551-E755 PolarHBondContact OD2-N 2.67Å |
| 552 | V | 64.9 | Low | 72.3 | Confident | 47 Ų | 47 | 34.8 Ų | 34.8 | 29% | 0.285 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -72.7 | -43.5 | 173.7 | -171.5 | 0 | 0 | 0 | 0 | 111 | L548 A549 G554 N555 V556 I657 L754 | L548-V552 VanDerWaalsContact O-CG2 3.31Å; L548-V552 WeakPolarHBondContact O-CG2 3.31Å; L548-V552 PolarHBondContact O-N 3.12Å; A549-V552 PolarHBondContact O-N 3.5Å; V552-G554 VanDerWaalsContact C-N 3.31Å; V552-G554 PolarHBondContact O-N 3.47Å; V552-N555 PolarHBondContact O-N 3.03Å; V552-N555 VanDerWaalsContact O-N 3.08Å; V552-V556 WeakPolarHBondContact O-CG2 3.42Å; V552-V556 PolarHBondContact O-N 3.37Å; V552-I657 HydrophobicContact CB-CG2 4.28Å; V552-I657 HydrophobicContact CG1-CB 4.45Å; V552-I657 HydrophobicContact CG1-CD1 3.92Å; V552-I657 HydrophobicContact CG1-CG1 4.16Å; V552-I657 HydrophobicContact CG1-CG2 3.46Å; V552-I657 VanDerWaalsContact CG1-CG2 3.46Å; V552-L754 HydrophobicContact CG2-CD2 3.67Å |
| 553 | E | 60.9 | Low | 73 | Confident | 26 Ų | 26 | 37.5 Ų | 37.5 | 12% | 0.121 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.6 | -46.3 | 171.9 | -85 | -171.3 | 128.1 | 0 | 0 | 111.1 | A549 N555 V556 A628 I658 A661 | A549-E553 WeakPolarHBondContact O-CB 3.26Å; A549-E553 PolarHBondContact O-N 2.76Å; E553-N555 PolarHBondContact O-N 3.26Å; E553-V556 PolarHBondContact O-N 3.06Å; E553-V556 VanDerWaalsContact O-N 3.15Å; E553-A628 HydrophobicContact CB-CB 4.06Å; E553-A628 HydrophobicContact CG-CB 4.02Å; E553-I658 HydrophobicContact CG-CG1 4.39Å; E553-A661 HydrophobicContact CG-CB 3.73Å |
| 554 | G | 62.9 | Low | 72.9 | Confident | 35 Ų | 35 | 41.9 Ų | 41.9 | 36% | 0.361 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -6.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q550 V552 K624 | Q550-G554 PolarHBondContact O-N 3.17Å; V552-G554 VanDerWaalsContact C-N 3.31Å; V552-G554 PolarHBondContact O-N 3.47Å; G554-K624 VanDerWaalsContact O-CE 3.31Å; G554-K624 WeakPolarHBondContact O-CE 3.42Å; G554-K624 PolarHBondContact O-NZ 3.28Å |
| 555 | N | 63.8 | Low | 73 | Confident | 76 Ų | 76 | 44.3 Ų | 44.3 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 0.6 | 173.9 | -77.3 | -31 | 0 | 0 | 0 | 113 | D551 V552 E553 E557 | D551-N555 WeakPolarHBondContact O-CB 3.44Å; D551-N555 PolarHBondContact O-N 3.01Å; D551-N555 PolarHBondContact O-ND2 3.18Å; V552-N555 PolarHBondContact O-N 3.03Å; V552-N555 VanDerWaalsContact O-N 3.08Å; E553-N555 PolarHBondContact O-N 3.26Å; N555-E557 PolarHBondContact O-N 3.15Å |
| 556 | V | 64.8 | Low | 73.8 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 11% | 0.109 | 26% | 0.256 | C | S | . | . | trans | -82.1 | 98.8 | 173.5 | -172 | 0 | 0 | 0 | 0 | 110.1 | V552 E553 I631 A654 I657 | V552-V556 WeakPolarHBondContact O-CG2 3.42Å; V552-V556 PolarHBondContact O-N 3.37Å; E553-V556 PolarHBondContact O-N 3.06Å; E553-V556 VanDerWaalsContact O-N 3.15Å; V556-I631 HydrophobicContact CB-CD1 3.71Å; V556-I631 HydrophobicContact CG1-CD1 3.67Å; V556-I631 WeakPolarHBondContact O-CD1 3.36Å; V556-A654 HydrophobicContact CG1-CB 3.73Å; V556-I657 HydrophobicContact CG2-CG2 4.17Å | ||
| 557 | E | 73.8 | Confident | 74.4 | Confident | 80 Ų | 80 | 48.9 Ų | 48.9 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | trans | -98.2 | 140.4 | 179.9 | -59.4 | -177 | 135.2 | 0 | 0 | 112 | N555 T559 V622 | N555-E557 PolarHBondContact O-N 3.15Å; E557-T559 PolarHBondContact O-N 2.75Å; E557-V622 HydrophobicContact CB-CG1 3.71Å; E557-V622 HydrophobicContact CG-CG1 4.2Å; E557-V622 WeakPolarHBondContact OE2-CG1 3.44Å | ||
| 558 | V | 79.6 | Confident | 74.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 118.4 | 175.5 | 176.5 | 0 | 0 | 0 | 0 | 108.7 | V560 V623 V625 I631 V634 T635 A647 | V558-V560 HydrophobicContact CG1-CG2 4.12Å; V558-V623 HydrophobicContact CB-CB 4.15Å; V558-V623 PolarHBondContact N-O 2.83Å; V558-V623 PolarHBondContact O-N 3.41Å; V558-V625 HydrophobicContact CG2-CG2 3.66Å; V558-I631 HydrophobicContact CG2-CG2 4.01Å; V558-V634 HydrophobicContact CG2-CG1 4.43Å; V558-T635 HydrophobicContact CG1-CG2 4.41Å; V558-T635 WeakPolarHBondContact CG2-OG1 3.47Å; V558-A647 HydrophobicContact CG1-CB 4.42Å |
| 559 | T | 82.9 | Confident | 75.1 | Confident | 42 Ų | 42 | 57.3 Ų | 57.3 | 26% | 0.258 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 107.9 | -178.4 | -54.3 | 0 | 0 | 0 | 0 | 109.9 | E557 F561 V620 A647 N648 | E557-T559 PolarHBondContact O-N 2.75Å; T559-F561 HydrophobicContact CG2-CD2 4.24Å; T559-F561 HydrophobicContact CG2-CE2 3.6Å; T559-F561 HydrophobicContact CG2-CZ 3.77Å; T559-V620 HydrophobicContact CG2-CG1 3.55Å; T559-A647 CarbonylContact O-C 3.43Å; T559-A647 WeakPolarHBondContact O-CA 3.31Å; T559-N648 WeakPolarHBondContact CA-O 3.34Å; T559-N648 WeakPolarHBondContact CB-O 3.37Å; T559-N648 PolarHBondContact N-O 2.8Å; T559-N648 PolarHBondContact O-N 3.11Å |
| 560 | V | 87.8 | Confident | 75.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 118.2 | 179.8 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | V558 L578 V620 Y621 V623 A638 V644 A647 | V558-V560 HydrophobicContact CG1-CG2 4.12Å; V560-L578 HydrophobicContact CB-CD1 4.43Å; V560-L578 HydrophobicContact CG1-CD1 4.2Å; V560-L578 HydrophobicContact CG1-CD2 4.23Å; V560-L578 HydrophobicContact CG2-CD2 4.02Å; V560-V620 CarbonylContact O-C 3.34Å; V560-V620 WeakPolarHBondContact O-CA 3.38Å; V560-Y621 PolarHBondContact N-O 2.62Å; V560-Y621 PolarHBondContact O-N 2.83Å; V560-V623 HydrophobicContact CG2-CG2 3.77Å; V560-A638 HydrophobicContact CG2-CB 3.95Å; V560-V644 HydrophobicContact CG1-CB 4.27Å; V560-V644 HydrophobicContact CG1-CG1 3.61Å; V560-V644 HydrophobicContact CG1-CG2 3.64Å; V560-A647 HydrophobicContact CG2-CB 4.04Å |
| 561 | F | 86.9 | Confident | 76.6 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 120.9 | -180 | -60.8 | -107.3 | 0 | 0 | 0 | 108.3 | T559 Y618 V620 F645 R646 | T559-F561 HydrophobicContact CG2-CD2 4.24Å; T559-F561 HydrophobicContact CG2-CE2 3.6Å; T559-F561 HydrophobicContact CG2-CZ 3.77Å; F561-Y618 HydrophobicContact CB-CG 4.35Å; F561-Y618 HydrophobicContact CD1-CD2 4.05Å; F561-Y618 HydrophobicContact CD1-CG 4.17Å; F561-V620 HydrophobicContact CD1-CG2 4.01Å; F561-V620 HydrophobicContact CE1-CG2 4.32Å; F561-V620 HydrophobicContact CG-CG2 4.46Å; F561-F645 HydrophobicContact CB-CD1 4.44Å; F561-F645 PolarHBondContact O-N 3.45Å; F561-R646 HydrophobicContact CB-CG 3.91Å; F561-R646 HydrophobicContact CD2-CG 3.56Å; F561-R646 VanDerWaalsContact CE1-NH2 3.26Å; F561-R646 HydrophobicContact CE2-CG 4.32Å; F561-R646 HydrophobicContact CG-CG 3.87Å; F561-R646 PolarHBondContact N-O 3.09Å |
| 562 | V | 88.1 | Confident | 77.3 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 145.8 | 179.3 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | T566 L571 L574 Y618 D619 Y621 | V562-T566 HydrophobicContact CG1-CG2 3.95Å; V562-L571 HydrophobicContact CB-CD1 4.44Å; V562-L571 HydrophobicContact CG1-CD1 3.77Å; V562-L571 HydrophobicContact CG2-CD1 4Å; V562-L574 HydrophobicContact CG1-CD2 4.22Å; V562-L574 HydrophobicContact CG2-CD2 3.99Å; V562-Y618 WeakPolarHBondContact O-CD1 3.42Å; V562-D619 WeakPolarHBondContact CB-O 3.43Å; V562-D619 WeakPolarHBondContact CG2-O 3.27Å; V562-D619 PolarHBondContact N-O 3.11Å; V562-Y621 HydrophobicContact CG2-CD2 3.72Å; V562-Y621 HydrophobicContact CG2-CE2 4.07Å |
| 563 | D | 82.9 | Confident | 78.2 | Confident | 77 Ų | 77 | 63.9 Ų | 63.9 | 41% | 0.412 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 153.8 | -178.1 | -149.8 | -6.5 | 0 | 0 | 0 | 113.8 | G565 T566 N643 F645 | D563-G565 PolarHBondContact O-N 2.9Å; D563-T566 PolarHBondContact O-N 3.02Å; D563-T566 PolarHBondContact O-OG1 3.37Å; D563-N643 PolarHBondContact N-O 2.86Å; D563-F645 HydrophobicContact CB-CB 4.33Å |
| 564 | I | 76.2 | Confident | 79.5 | Confident | 141 Ų | 141 | 62.6 Ų | 62.6 | 72% | 0.723 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 93.5 | -170.4 | -56.5 | -179.1 | 0 | 0 | 0 | 110.2 | Y618 | I564-Y618 HydrophobicContact CD1-CD1 4.27Å; I564-Y618 HydrophobicContact CD1-CE1 3.69Å; I564-Y618 HydrophobicContact CG1-CD1 3.92Å; I564-Y618 HydrophobicContact CG1-CE1 3.68Å |
| 565 | G | 79.8 | Confident | 80.8 | Confident | 63 Ų | 63 | 64.8 Ų | 64.8 | 65% | 0.649 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 136.5 | -6.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D563 K567 | D563-G565 PolarHBondContact O-N 2.9Å; G565-K567 PolarHBondContact O-N 3.37Å |
| 566 | T | 82 | Confident | 81.8 | Confident | 30 Ų | 30 | 64.2 Ų | 64.2 | 18% | 0.184 | 33% | 0.333 | C | S | . | . | trans | -55.1 | 127.6 | 174.3 | -58 | 0 | 0 | 0 | 0 | 111.4 | V562 D563 E570 L571 N643 | V562-T566 HydrophobicContact CG1-CG2 3.95Å; D563-T566 PolarHBondContact O-N 3.02Å; D563-T566 PolarHBondContact O-OG1 3.37Å; T566-E570 HydrophobicContact CG2-CB 3.64Å; T566-L571 HydrophobicContact CG2-CB 4.31Å; T566-L571 HydrophobicContact CG2-CD1 4.42Å; T566-N643 HydrophobicContact CG2-CB 3.8Å; T566-N643 WeakPolarHBondContact OG1-CB 3.13Å; T566-N643 PolarHBondContact OG1-OD1 2.79Å; T566-N643 VanDerWaalsContact OG1-OD1 3.09Å | ||
| 567 | K | 81.8 | Confident | 83 | Confident | 126 Ų | 126 | 66.7 Ų | 66.7 | 55% | 0.548 | 34% | 0.343 | S | S | . | . | trans | -87.6 | 160.2 | -176.8 | -57 | 174 | -150.2 | 69.6 | 0 | 111.5 | G565 K569 E570 L571 | G565-K567 PolarHBondContact O-N 3.37Å; K567-K569 PolarHBondContact O-N 3.15Å; K567-E570 WeakPolarHBondContact CB-OE2 3.47Å; K567-E570 WeakPolarHBondContact CG-OE2 3.19Å; K567-E570 PolarHBondContact N-OE2 3.39Å; K567-E570 VanDerWaalsContact NZ-CD 3.28Å; K567-E570 IonicContact NZ-OE1 2.63Å; K567-E570 PolarHBondContact NZ-OE1 3.17Å; K567-E570 IonicContact NZ-OE2 3.09Å; K567-E570 PolarHBondContact NZ-OE2 3.3Å; K567-E570 VanDerWaalsContact NZ-OE2 3.09Å; K567-E570 PolarHBondContact O-N 3.39Å; K567-L571 WeakPolarHBondContact O-CB 3.16Å; K567-L571 PolarHBondContact O-N 3.18Å | ||
| 568 | D | 78.1 | Confident | 83.8 | Confident | 129 Ų | 129 | 62.9 Ų | 62.9 | 69% | 0.69 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -49.2 | -26.1 | 179 | -69.3 | -27.4 | 0 | 0 | 0 | 116.2 | K572 | D568-K572 WeakPolarHBondContact O-CG 3.48Å; D568-K572 PolarHBondContact O-N 3.32Å |
| 569 | K | 80.4 | Confident | 84.3 | Confident | 137 Ų | 137 | 66.4 Ų | 66.4 | 60% | 0.596 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -79.9 | -50.8 | 176.5 | -171.6 | 177.4 | 177.1 | -65.3 | 0 | 111.5 | K567 L571 K572 E573 | K567-K569 PolarHBondContact O-N 3.15Å; K569-L571 PolarHBondContact O-N 2.9Å; K569-K572 PolarHBondContact O-N 2.76Å; K569-K572 VanDerWaalsContact O-N 3.13Å; K569-E573 IonicContact NZ-OE1 2.59Å; K569-E573 PolarHBondContact NZ-OE1 2.75Å; K569-E573 IonicContact NZ-OE2 3.67Å; K569-E573 PolarHBondContact O-N 2.88Å |
| 570 | E | 81.6 | Confident | 84.5 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 23% | 0.234 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.7 | -36.2 | 174.1 | -65.4 | 142.3 | -160.1 | 0 | 0 | 110.7 | T566 K567 E573 L574 | T566-E570 HydrophobicContact CG2-CB 3.64Å; K567-E570 WeakPolarHBondContact CB-OE2 3.47Å; K567-E570 WeakPolarHBondContact CG-OE2 3.19Å; K567-E570 PolarHBondContact N-OE2 3.39Å; K567-E570 VanDerWaalsContact NZ-CD 3.28Å; K567-E570 IonicContact NZ-OE1 2.63Å; K567-E570 PolarHBondContact NZ-OE1 3.17Å; K567-E570 IonicContact NZ-OE2 3.09Å; K567-E570 PolarHBondContact NZ-OE2 3.3Å; K567-E570 VanDerWaalsContact NZ-OE2 3.09Å; K567-E570 PolarHBondContact O-N 3.39Å; E570-E573 PolarHBondContact O-N 3.48Å; E570-L574 WeakPolarHBondContact O-CB 3.12Å; E570-L574 PolarHBondContact O-N 3.26Å |
| 571 | L | 81.7 | Confident | 84.6 | Confident | 25 Ų | 25 | 70.6 Ų | 70.6 | 13% | 0.131 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 175.4 | -166.2 | 77.4 | 0 | 0 | 0 | 112.6 | V562 T566 K567 K569 K575 F589 Y621 | V562-L571 HydrophobicContact CB-CD1 4.44Å; V562-L571 HydrophobicContact CG1-CD1 3.77Å; V562-L571 HydrophobicContact CG2-CD1 4Å; T566-L571 HydrophobicContact CG2-CB 4.31Å; T566-L571 HydrophobicContact CG2-CD1 4.42Å; K567-L571 WeakPolarHBondContact O-CB 3.16Å; K567-L571 PolarHBondContact O-N 3.18Å; K569-L571 PolarHBondContact O-N 2.9Å; L571-K575 PolarHBondContact O-N 3.44Å; L571-F589 HydrophobicContact CD1-CE2 4.08Å; L571-F589 HydrophobicContact CD2-CE2 4.08Å; L571-F589 HydrophobicContact CD2-CZ 4Å; L571-F589 HydrophobicContact CG-CE2 4.49Å; L571-Y621 HydrophobicContact CD1-CE2 3.87Å; L571-Y621 HydrophobicContact CG-CE2 4.16Å; L571-Y621 PolarHBondContact O-OH 3.2Å |
| 572 | K | 82.2 | Confident | 84.4 | Confident | 158 Ų | 158 | 74.3 Ų | 74.3 | 69% | 0.687 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -72.9 | -35.1 | 175.1 | -77 | 171.4 | -177.7 | 172.9 | 0 | 112.3 | D568 K569 K575 S576 | D568-K572 WeakPolarHBondContact O-CG 3.48Å; D568-K572 PolarHBondContact O-N 3.32Å; K569-K572 PolarHBondContact O-N 2.76Å; K569-K572 VanDerWaalsContact O-N 3.13Å; K572-K575 PolarHBondContact O-N 3.12Å; K572-S576 PolarHBondContact O-N 2.72Å; K572-S576 VanDerWaalsContact O-N 3.15Å |
| 573 | E | 84.5 | Confident | 84.3 | Confident | 88 Ų | 88 | 77.8 Ų | 77.8 | 41% | 0.411 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.6 | -50.3 | 173.8 | -75.9 | 155.6 | -178.4 | 0 | 0 | 109.9 | K569 E570 K575 S576 E577 | K569-E573 IonicContact NZ-OE1 2.59Å; K569-E573 PolarHBondContact NZ-OE1 2.75Å; K569-E573 IonicContact NZ-OE2 3.67Å; K569-E573 PolarHBondContact O-N 2.88Å; E570-E573 PolarHBondContact O-N 3.48Å; E573-K575 VanDerWaalsContact C-N 3.27Å; E573-K575 PolarHBondContact O-N 2.98Å; E573-S576 WeakPolarHBondContact O-CA 3.39Å; E573-S576 WeakPolarHBondContact O-CB 3.09Å; E573-S576 PolarHBondContact O-N 2.84Å; E573-E577 PolarHBondContact O-N 3.16Å |
| 574 | L | 88.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -55.8 | -37.8 | 171.5 | 174.4 | 59 | 0 | 0 | 0 | 112.8 | V562 E570 S576 E577 L578 Y621 L641 N643 V644 | V562-L574 HydrophobicContact CG1-CD2 4.22Å; V562-L574 HydrophobicContact CG2-CD2 3.99Å; E570-L574 WeakPolarHBondContact O-CB 3.12Å; E570-L574 PolarHBondContact O-N 3.26Å; L574-S576 VanDerWaalsContact C-N 3.3Å; L574-S576 PolarHBondContact O-N 2.85Å; L574-E577 PolarHBondContact O-N 3.17Å; L574-L578 HydrophobicContact CD1-CD1 3.86Å; L574-L578 HydrophobicContact CD1-CD2 4.48Å; L574-L578 HydrophobicContact CD1-CG 3.78Å; L574-L578 HydrophobicContact CG-CD1 3.93Å; L574-L578 HydrophobicContact CG-CG 4.32Å; L574-L578 WeakPolarHBondContact O-CB 3.17Å; L574-L578 VanDerWaalsContact O-CG 3.29Å; L574-L578 WeakPolarHBondContact O-CG 3.25Å; L574-L578 PolarHBondContact O-N 2.99Å; L574-Y621 HydrophobicContact CD2-CD2 4.19Å; L574-Y621 HydrophobicContact CD2-CE2 4.29Å; L574-Y621 HydrophobicContact CG-CD2 4.37Å; L574-Y621 HydrophobicContact CG-CE2 4.38Å; L574-L641 HydrophobicContact CD1-CB 4.14Å; L574-L641 HydrophobicContact CD1-CD1 3.91Å; L574-N643 HydrophobicContact CD2-CB 4.23Å; L574-V644 HydrophobicContact CD1-CG2 3.53Å; L574-V644 HydrophobicContact CD2-CG2 4.07Å; L574-V644 HydrophobicContact CG-CG2 4.46Å |
| 575 | K | 88.4 | Confident | 84.7 | Confident | 80 Ų | 80 | 73 Ų | 73 | 35% | 0.348 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.6 | -37.7 | 174.2 | -160.6 | -145.9 | 169.2 | -145.3 | 0 | 112.1 | L571 K572 E573 Q579 V587 Y621 | L571-K575 PolarHBondContact O-N 3.44Å; K572-K575 PolarHBondContact O-N 3.12Å; E573-K575 VanDerWaalsContact C-N 3.27Å; E573-K575 PolarHBondContact O-N 2.98Å; K575-Q579 VanDerWaalsContact O-CB 3.23Å; K575-Q579 WeakPolarHBondContact O-CB 3.35Å; K575-Q579 PolarHBondContact O-N 3.45Å; K575-V587 WeakPolarHBondContact CE-O 3.12Å; K575-V587 HydrophobicContact CG-CB 4.42Å; K575-V587 HydrophobicContact CG-CG1 3.82Å; K575-Y621 HydrophobicContact CB-CE1 4.05Å; K575-Y621 HydrophobicContact CG-CD1 4.41Å; K575-Y621 HydrophobicContact CG-CE1 3.64Å |
| 576 | S | 86.1 | Confident | 84.9 | Confident | 64 Ų | 64 | 75.4 Ų | 75.4 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.8 | -50.4 | 175.6 | -155.4 | 0 | 0 | 0 | 0 | 110.2 | K572 E573 L574 L578 Q579 D580 | K572-S576 PolarHBondContact O-N 2.72Å; K572-S576 VanDerWaalsContact O-N 3.15Å; E573-S576 WeakPolarHBondContact O-CA 3.39Å; E573-S576 WeakPolarHBondContact O-CB 3.09Å; E573-S576 PolarHBondContact O-N 2.84Å; L574-S576 VanDerWaalsContact C-N 3.3Å; L574-S576 PolarHBondContact O-N 2.85Å; S576-L578 VanDerWaalsContact C-N 3.31Å; S576-L578 PolarHBondContact O-N 3.34Å; S576-Q579 CarbonylContact O-C 3.56Å; S576-Q579 WeakPolarHBondContact O-CA 3.3Å; S576-Q579 PolarHBondContact O-N 3.44Å; S576-D580 PolarHBondContact O-N 2.93Å; S576-D580 PolarHBondContact OG-OD2 3.34Å |
| 577 | E | 89.9 | Confident | 85.1 | Confident | 70 Ų | 70 | 74.4 Ų | 74.4 | 33% | 0.327 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -52.7 | -47.7 | 177.6 | -66.7 | 178.9 | 178.6 | 0 | 0 | 111.5 | E573 L574 Q579 D580 I581 L641 S642 | E573-E577 PolarHBondContact O-N 3.16Å; L574-E577 PolarHBondContact O-N 3.17Å; E577-Q579 VanDerWaalsContact C-N 3.26Å; E577-Q579 PolarHBondContact O-N 3.05Å; E577-D580 PolarHBondContact O-N 3.4Å; E577-I581 WeakPolarHBondContact O-CG1 3.2Å; E577-I581 PolarHBondContact O-N 3.31Å; E577-L641 HydrophobicContact CB-CD1 3.66Å; E577-L641 HydrophobicContact CB-CD2 3.98Å; E577-L641 HydrophobicContact CB-CG 4.4Å; E577-S642 PolarHBondContact OE2-OG 2.89Å |
| 578 | L | 90.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.3 | -23.8 | 176.1 | -73.4 | 172 | 0 | 0 | 0 | 114.5 | V560 L574 S576 I581 V587 Y621 V623 A638 L641 | V560-L578 HydrophobicContact CB-CD1 4.43Å; V560-L578 HydrophobicContact CG1-CD1 4.2Å; V560-L578 HydrophobicContact CG1-CD2 4.23Å; V560-L578 HydrophobicContact CG2-CD2 4.02Å; L574-L578 HydrophobicContact CD1-CD1 3.86Å; L574-L578 HydrophobicContact CD1-CD2 4.48Å; L574-L578 HydrophobicContact CD1-CG 3.78Å; L574-L578 HydrophobicContact CG-CD1 3.93Å; L574-L578 HydrophobicContact CG-CG 4.32Å; L574-L578 WeakPolarHBondContact O-CB 3.17Å; L574-L578 VanDerWaalsContact O-CG 3.29Å; L574-L578 WeakPolarHBondContact O-CG 3.25Å; L574-L578 PolarHBondContact O-N 2.99Å; S576-L578 VanDerWaalsContact C-N 3.31Å; S576-L578 PolarHBondContact O-N 3.34Å; L578-I581 HydrophobicContact CD2-CD1 4.08Å; L578-V587 HydrophobicContact CB-CG1 4.15Å; L578-V587 HydrophobicContact CB-CG2 3.86Å; L578-V587 HydrophobicContact CD1-CG1 4.34Å; L578-V587 WeakPolarHBondContact O-CG2 3.47Å; L578-Y621 HydrophobicContact CD1-CD2 3.8Å; L578-Y621 HydrophobicContact CD1-CG 3.75Å; L578-V623 HydrophobicContact CD1-CG2 4.32Å; L578-V623 HydrophobicContact CD2-CG2 4.26Å; L578-A638 HydrophobicContact CD2-CB 3.62Å; L578-L641 HydrophobicContact CD2-CD1 3.58Å; L578-L641 HydrophobicContact CG-CD1 3.8Å |
| 579 | Q | 89.6 | Confident | 85.7 | Confident | 75 Ų | 75 | 69.1 Ų | 69.1 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -94.2 | -18.1 | -178.2 | -164.9 | 125.2 | 50 | 0 | 0 | 111.8 | K575 S576 E577 V587 | K575-Q579 VanDerWaalsContact O-CB 3.23Å; K575-Q579 WeakPolarHBondContact O-CB 3.35Å; K575-Q579 PolarHBondContact O-N 3.45Å; S576-Q579 CarbonylContact O-C 3.56Å; S576-Q579 WeakPolarHBondContact O-CA 3.3Å; S576-Q579 PolarHBondContact O-N 3.44Å; E577-Q579 VanDerWaalsContact C-N 3.26Å; E577-Q579 PolarHBondContact O-N 3.05Å; Q579-V587 HydrophobicContact CB-CB 4.42Å; Q579-V587 HydrophobicContact CB-CG2 3.73Å; Q579-V587 HydrophobicContact CG-CG2 4.21Å |
| 580 | D | 88.3 | Confident | 85.8 | Confident | 122 Ų | 122 | 62.9 Ų | 62.9 | 65% | 0.652 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -87.9 | -11.8 | 171.5 | -66.5 | -41.2 | 0 | 0 | 0 | 112.9 | S576 E577 N582 | S576-D580 PolarHBondContact O-N 2.93Å; S576-D580 PolarHBondContact OG-OD2 3.34Å; E577-D580 PolarHBondContact O-N 3.4Å; D580-N582 PolarHBondContact O-N 3.07Å |
| 581 | I | 89.1 | Confident | 85.8 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -58.1 | 130.7 | 170.9 | -71.8 | 174.4 | 0 | 0 | 0 | 110.3 | E577 L578 H583 V584 V634 E637 A638 L641 | E577-I581 WeakPolarHBondContact O-CG1 3.2Å; E577-I581 PolarHBondContact O-N 3.31Å; L578-I581 HydrophobicContact CD2-CD1 4.08Å; I581-H583 PolarHBondContact O-N 3.37Å; I581-V584 HydrophobicContact CB-CG2 3.87Å; I581-V584 HydrophobicContact CG2-CG2 3.87Å; I581-V584 WeakPolarHBondContact O-CB 3.46Å; I581-V584 PolarHBondContact O-N 2.94Å; I581-V634 HydrophobicContact CG2-CB 4.4Å; I581-V634 HydrophobicContact CG2-CG1 4.15Å; I581-V634 HydrophobicContact CG2-CG2 4.01Å; I581-E637 HydrophobicContact CD1-CB 4.25Å; I581-E637 HydrophobicContact CD1-CG 4.24Å; I581-E637 HydrophobicContact CG1-CG 4.1Å; I581-E637 HydrophobicContact CG2-CB 4.32Å; I581-E637 HydrophobicContact CG2-CG 4.28Å; I581-A638 HydrophobicContact CD1-CB 3.87Å; I581-L641 HydrophobicContact CD1-CD1 3.94Å; I581-L641 HydrophobicContact CD1-CG 4.47Å |
| 582 | N | 83.6 | Confident | 85.6 | Confident | 111 Ų | 111 | 64.4 Ų | 64.4 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 138 | 177.8 | -76 | -70.8 | 0 | 0 | 0 | 111.8 | D580 V584 V634 | D580-N582 PolarHBondContact O-N 3.07Å; N582-V584 VanDerWaalsContact C-N 3.3Å; N582-V584 PolarHBondContact O-N 3.5Å; N582-V634 WeakPolarHBondContact O-CG2 3.48Å |
| 583 | H | 85.4 | Confident | 85.4 | Confident | 79 Ų | 79 | 63.1 Ų | 63.1 | 37% | 0.366 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 11 | -178.6 | -46.8 | -79 | 0 | 0 | 0 | 116.3 | I581 V625 T626 Y630 V634 | I581-H583 PolarHBondContact O-N 3.37Å; H583-V625 WeakPolarHBondContact O-CG1 3.28Å; H583-T626 WeakPolarHBondContact CB-OG1 3.31Å; H583-T626 WeakPolarHBondContact O-CG2 3.44Å; H583-T626 PolarHBondContact O-N 3.43Å; H583-T626 PolarHBondContact O-OG1 3.06Å; H583-Y630 HydrophobicContact CB-CD1 4.29Å; H583-Y630 HydrophobicContact CB-CD2 3.72Å; H583-Y630 HydrophobicContact CB-CE2 4.46Å; H583-Y630 HydrophobicContact CB-CG 3.63Å; H583-Y630 AromaticContact CD2-CD1 3.52Å; H583-Y630 AromaticContact CD2-CE1 3.79Å; H583-Y630 AromaticContact CD2-CG 3.8Å; H583-Y630 AromaticContact CE1-CD1 4Å; H583-Y630 AromaticContact CE1-CE1 3.5Å; H583-Y630 AromaticContact CE1-CE2 3.76Å; H583-Y630 AromaticContact CE1-CZ 3.37Å; H583-Y630 AromaticContact CG-CD1 3.67Å; H583-Y630 AromaticContact CG-CD2 3.58Å; H583-Y630 AromaticContact CG-CE1 3.97Å; H583-Y630 AromaticContact CG-CE2 3.9Å; H583-Y630 AromaticContact CG-CG 3.46Å; H583-Y630 VanDerWaalsContact CG-CG 3.46Å; H583-Y630 AromaticContact ND1-CD1 3.96Å; H583-Y630 AromaticContact ND1-CD2 3.53Å; H583-Y630 AromaticContact ND1-CE1 3.8Å; H583-Y630 AromaticContact ND1-CE2 3.37Å; H583-Y630 WeakPolarHBondContact ND1-CE2 3.5Å; H583-Y630 AromaticContact ND1-CG 3.84Å; H583-Y630 AromaticContact ND1-CZ 3.5Å; H583-Y630 AromaticContact NE2-CD1 3.75Å; H583-Y630 AromaticContact NE2-CE1 3.49Å; H583-Y630 WeakPolarHBondContact NE2-CE1 3.42Å; H583-Y630 AromaticContact NE2-CZ 3.88Å; H583-V634 HydrophobicContact CB-CG2 4.4Å |
| 584 | V | 85.2 | Confident | 85 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 13% | 0.133 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 132.5 | 165.5 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | I581 N582 V587 V623 V634 | I581-V584 HydrophobicContact CB-CG2 3.87Å; I581-V584 HydrophobicContact CG2-CG2 3.87Å; I581-V584 WeakPolarHBondContact O-CB 3.46Å; I581-V584 PolarHBondContact O-N 2.94Å; N582-V584 VanDerWaalsContact C-N 3.3Å; N582-V584 PolarHBondContact O-N 3.5Å; V584-V587 HydrophobicContact CG1-CG2 3.79Å; V584-V623 HydrophobicContact CB-CG1 4.3Å; V584-V623 HydrophobicContact CG1-CG1 3.74Å; V584-V623 HydrophobicContact CG2-CG1 3.55Å; V584-V634 HydrophobicContact CG2-CG1 3.73Å; V584-V634 HydrophobicContact CG2-CG2 4.34Å |
| 585 | D | 80.9 | Confident | 84.4 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 51% | 0.508 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -51.5 | 172.1 | 169 | 65.3 | 0 | 0 | 0 | 110.4 | K624 T626 | D585-K624 PolarHBondContact N-O 3.21Å; D585-T626 HydrophobicContact CB-CG2 3.93Å |
| 586 | K | 84.8 | Confident | 83.8 | Confident | 115 Ų | 115 | 62 Ų | 62 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 123 | -169.8 | -175.4 | -178.2 | 174.7 | -174.3 | 0 | 113.4 | T588 K624 | K586-T588 WeakPolarHBondContact CE-OG1 3.38Å; K586-K624 HydrophobicContact CB-CB 4.27Å; K586-K624 PolarHBondContact N-O 2.89Å; K586-K624 PolarHBondContact O-N 3.47Å |
| 587 | V | 87.1 | Confident | 83.2 | Confident | 8 Ų | 8 | 64.9 Ų | 64.9 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119 | 170.3 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | K575 L578 Q579 V584 Y621 V623 | K575-V587 WeakPolarHBondContact CE-O 3.12Å; K575-V587 HydrophobicContact CG-CB 4.42Å; K575-V587 HydrophobicContact CG-CG1 3.82Å; L578-V587 HydrophobicContact CB-CG1 4.15Å; L578-V587 HydrophobicContact CB-CG2 3.86Å; L578-V587 HydrophobicContact CD1-CG1 4.34Å; L578-V587 WeakPolarHBondContact O-CG2 3.47Å; Q579-V587 HydrophobicContact CB-CB 4.42Å; Q579-V587 HydrophobicContact CB-CG2 3.73Å; Q579-V587 HydrophobicContact CG-CG2 4.21Å; V584-V587 HydrophobicContact CG1-CG2 3.79Å; V587-Y621 HydrophobicContact CG1-CD1 3.41Å; V587-Y621 VanDerWaalsContact CG1-CD1 3.41Å; V587-Y621 HydrophobicContact CG1-CE1 3.99Å; V587-Y621 HydrophobicContact CG1-CG 4.05Å; V587-V623 HydrophobicContact CG1-CG2 4.39Å; V587-V623 HydrophobicContact CG2-CG2 4.3Å |
| 588 | T | 84.5 | Confident | 82.3 | Confident | 58 Ų | 58 | 66.2 Ų | 66.2 | 36% | 0.356 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 123.3 | -178.1 | -47.8 | 0 | 0 | 0 | 0 | 110.4 | K586 V622 | K586-T588 WeakPolarHBondContact CE-OG1 3.38Å; T588-V622 PolarHBondContact N-O 2.74Å; T588-V622 PolarHBondContact O-N 3.47Å |
| 589 | F | 86.4 | Confident | 81.1 | Confident | 86 Ų | 86 | 69.1 Ų | 69.1 | 38% | 0.377 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 145.5 | 175.7 | -171.4 | -117.4 | 0 | 0 | 0 | 111.8 | L571 D619 Y621 | L571-F589 HydrophobicContact CD1-CE2 4.08Å; L571-F589 HydrophobicContact CD2-CE2 4.08Å; L571-F589 HydrophobicContact CD2-CZ 4Å; L571-F589 HydrophobicContact CG-CE2 4.49Å; F589-D619 HydrophobicContact CE2-CB 4.01Å; F589-D619 HydrophobicContact CZ-CB 3.91Å; F589-Y621 HydrophobicContact CB-CD1 4.08Å; F589-Y621 HydrophobicContact CB-CE1 3.56Å; F589-Y621 HydrophobicContact CD2-CD1 4.02Å; F589-Y621 HydrophobicContact CD2-CD2 4.31Å; F589-Y621 AromaticContact CD2-CE1 3.6Å; F589-Y621 HydrophobicContact CD2-CE1 3.6Å; F589-Y621 AromaticContact CD2-CE2 3.91Å; F589-Y621 HydrophobicContact CD2-CE2 3.91Å; F589-Y621 HydrophobicContact CD2-CG 4.34Å; F589-Y621 AromaticContact CD2-CZ 3.52Å; F589-Y621 HydrophobicContact CE2-CE2 4.35Å; F589-Y621 AromaticContact CG-CE1 3.99Å; F589-Y621 HydrophobicContact CG-CE1 3.99Å |
| 590 | S | 82.4 | Confident | 80.1 | Confident | 6 Ų | 6 | 69 Ų | 69 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 116 | 170.6 | -173.8 | 0 | 0 | 0 | 0 | 108 | Q595 K598 V620 | S590-Q595 PolarHBondContact OG-NE2 2.77Å; S590-K598 PolarHBondContact OG-NZ 2.75Å; S590-V620 PolarHBondContact N-O 3.12Å; S590-V620 PolarHBondContact O-N 2.73Å |
| 591 | S | 82.7 | Confident | 79 | Confident | 22 Ų | 22 | 72 Ų | 72 | 15% | 0.154 | 35% | 0.347 | C | S | . | . | trans | -67.6 | 163.3 | 179.8 | 75 | 0 | 0 | 0 | 0 | 111.5 | Q593 D594 Q595 D619 | S591-Q593 PolarHBondContact O-N 2.73Å; S591-Q593 PolarHBondContact OG-N 3.44Å; S591-D594 WeakPolarHBondContact CB-OD2 3.48Å; S591-D594 PolarHBondContact N-OD2 2.85Å; S591-D594 VanDerWaalsContact N-OD2 3.1Å; S591-D594 PolarHBondContact O-N 3.19Å; S591-D594 VanDerWaalsContact OG-CG 3.23Å; S591-D594 PolarHBondContact OG-N 3.25Å; S591-D594 VanDerWaalsContact OG-N 3.16Å; S591-D594 PolarHBondContact OG-OD2 3.31Å; S591-Q595 WeakPolarHBondContact O-CG 3.41Å; S591-Q595 PolarHBondContact O-N 3.14Å; S591-D619 WeakPolarHBondContact CA-OD1 3.37Å; S591-D619 WeakPolarHBondContact CB-OD1 3.4Å | ||
| 592 | K | 77.8 | Confident | 77.6 | Confident | 85 Ų | 85 | 79.6 Ų | 79.6 | 37% | 0.37 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.4 | -27.8 | 171.1 | 58.4 | -179.1 | 162.4 | -104.3 | 0 | 113.5 | L596 N615 L617 Y618 D619 | K592-L596 WeakPolarHBondContact O-CB 3.36Å; K592-L596 PolarHBondContact O-N 3.08Å; K592-N615 VanDerWaalsContact C-ND2 3.34Å; K592-N615 PolarHBondContact O-ND2 2.7Å; K592-L617 HydrophobicContact CB-CB 4.12Å; K592-L617 WeakPolarHBondContact CB-O 3.36Å; K592-L617 WeakPolarHBondContact CD-O 3.35Å; K592-Y618 WeakPolarHBondContact CA-O 3.37Å; K592-Y618 WeakPolarHBondContact CB-O 3.44Å; K592-D619 PolarHBondContact N-OD1 3.07Å; K592-D619 IonicContact NZ-OD2 2.76Å; K592-D619 PolarHBondContact NZ-OD2 3Å |
| 593 | Q | 77.1 | Confident | 76.4 | Confident | 132 Ų | 132 | 77.5 Ų | 77.5 | 62% | 0.617 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -75.3 | -33.4 | 173.9 | -69.1 | -173.5 | -11.2 | 0 | 0 | 112.1 | S591 L596 K597 | S591-Q593 PolarHBondContact O-N 2.73Å; S591-Q593 PolarHBondContact OG-N 3.44Å; Q593-L596 PolarHBondContact O-N 2.77Å; Q593-K597 WeakPolarHBondContact O-CG 3.29Å; Q593-K597 PolarHBondContact O-N 2.89Å |
| 594 | D | 76.9 | Confident | 75.6 | Confident | 68 Ų | 68 | 75.6 Ų | 75.6 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -73.6 | -36.7 | 174.7 | -56.3 | -54.1 | 0 | 0 | 0 | 111.5 | S591 L596 K597 K598 | S591-D594 WeakPolarHBondContact CB-OD2 3.48Å; S591-D594 PolarHBondContact N-OD2 2.85Å; S591-D594 VanDerWaalsContact N-OD2 3.1Å; S591-D594 PolarHBondContact O-N 3.19Å; S591-D594 VanDerWaalsContact OG-CG 3.23Å; S591-D594 PolarHBondContact OG-N 3.25Å; S591-D594 VanDerWaalsContact OG-N 3.16Å; S591-D594 PolarHBondContact OG-OD2 3.31Å; D594-L596 VanDerWaalsContact C-N 3.35Å; D594-K597 PolarHBondContact O-N 3.12Å; D594-K598 WeakPolarHBondContact O-CG 3.36Å; D594-K598 PolarHBondContact O-N 2.97Å |
| 595 | Q | 76.3 | Confident | 74.9 | Confident | 40 Ų | 40 | 81.7 Ų | 81.7 | 19% | 0.187 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 171 | -64 | -65.6 | 6.9 | 0 | 0 | 111.2 | S590 S591 K597 K598 L599 L617 V620 | S590-Q595 PolarHBondContact OG-NE2 2.77Å; S591-Q595 WeakPolarHBondContact O-CG 3.41Å; S591-Q595 PolarHBondContact O-N 3.14Å; Q595-K597 PolarHBondContact O-N 3.46Å; Q595-K598 PolarHBondContact O-N 3.34Å; Q595-L599 WeakPolarHBondContact O-CB 3.19Å; Q595-L599 PolarHBondContact O-N 3.45Å; Q595-L617 HydrophobicContact CB-CD1 3.91Å; Q595-V620 HydrophobicContact CG-CB 4.35Å; Q595-V620 HydrophobicContact CG-CG2 4.26Å |
| 596 | L | 75 | Confident | 73.9 | Confident | 36 Ų | 36 | 79.3 Ų | 79.3 | 19% | 0.188 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 174.1 | -167 | 70.1 | 0 | 0 | 0 | 111.4 | K592 Q593 D594 K598 L599 Q600 W607 N615 L617 | K592-L596 WeakPolarHBondContact O-CB 3.36Å; K592-L596 PolarHBondContact O-N 3.08Å; Q593-L596 PolarHBondContact O-N 2.77Å; D594-L596 VanDerWaalsContact C-N 3.35Å; L596-K598 PolarHBondContact O-N 3.12Å; L596-L599 PolarHBondContact O-N 2.76Å; L596-Q600 WeakPolarHBondContact O-CB 3.48Å; L596-Q600 VanDerWaalsContact O-CG 3.3Å; L596-Q600 WeakPolarHBondContact O-CG 3.22Å; L596-Q600 PolarHBondContact O-N 3.49Å; L596-W607 HydrophobicContact CD1-CH2 3.56Å; L596-W607 HydrophobicContact CD1-CZ2 3.66Å; L596-W607 HydrophobicContact CG-CZ2 4.5Å; L596-N615 HydrophobicContact CD2-CB 4.41Å; L596-L617 HydrophobicContact CB-CD1 3.96Å; L596-L617 HydrophobicContact CD1-CD1 3.97Å |
| 597 | K | 73.9 | Confident | 72.9 | Confident | 125 Ų | 125 | 76.7 Ų | 76.7 | 54% | 0.543 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 176.1 | -74.5 | 171.7 | -177.8 | 167.8 | 0 | 113.2 | Q593 D594 Q595 K601 | Q593-K597 WeakPolarHBondContact O-CG 3.29Å; Q593-K597 PolarHBondContact O-N 2.89Å; D594-K597 PolarHBondContact O-N 3.12Å; Q595-K597 PolarHBondContact O-N 3.46Å; K597-K601 VanDerWaalsContact O-CB 3.27Å; K597-K601 WeakPolarHBondContact O-CB 3.31Å; K597-K601 PolarHBondContact O-N 3.28Å |
| 598 | K | 70.3 | Confident | 71.9 | Confident | 98 Ų | 98 | 82.9 Ų | 82.9 | 43% | 0.426 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.1 | -47 | 173.2 | -75.8 | 165.3 | 176.1 | 171.7 | 0 | 110.8 | S590 D594 Q595 L596 K601 Q602 | S590-K598 PolarHBondContact OG-NZ 2.75Å; D594-K598 WeakPolarHBondContact O-CG 3.36Å; D594-K598 PolarHBondContact O-N 2.97Å; Q595-K598 PolarHBondContact O-N 3.34Å; L596-K598 PolarHBondContact O-N 3.12Å; K598-K601 PolarHBondContact O-N 3.15Å; K598-Q602 PolarHBondContact O-N 2.96Å |
| 599 | L | 65.5 | Low | 71 | Confident | 61 Ų | 61 | 87 Ų | 87 | 32% | 0.319 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.1 | -47.3 | -179.2 | -165.3 | 64.8 | 0 | 0 | 0 | 111.5 | Q595 L596 K601 Q602 M603 W607 L617 | Q595-L599 WeakPolarHBondContact O-CB 3.19Å; Q595-L599 PolarHBondContact O-N 3.45Å; L596-L599 PolarHBondContact O-N 2.76Å; L599-K601 VanDerWaalsContact C-N 3.31Å; L599-K601 PolarHBondContact O-N 3.13Å; L599-Q602 PolarHBondContact O-N 2.95Å; L599-Q602 VanDerWaalsContact O-N 3.1Å; L599-M603 HydrophobicContact CD1-SD 4.29Å; L599-M603 HydrophobicContact CG-SD 4.04Å; L599-M603 WeakPolarHBondContact O-CG 3.38Å; L599-M603 PolarHBondContact O-N 2.81Å; L599-W607 HydrophobicContact CB-CZ3 4.49Å; L599-W607 HydrophobicContact CD2-CH2 4.24Å; L599-W607 HydrophobicContact CD2-CZ3 3.71Å; L599-W607 HydrophobicContact CG-CZ3 3.94Å; L599-L617 HydrophobicContact CD2-CD1 4.4Å |
| 600 | Q | 68.8 | Low | 69.6 | Low | 72 Ų | 72 | 88.9 Ų | 88.9 | 34% | 0.336 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -53 | -46.7 | 170.8 | -75.9 | 176.1 | -36.5 | 0 | 0 | 111.9 | L596 Q602 M603 G604 W607 | L596-Q600 WeakPolarHBondContact O-CB 3.48Å; L596-Q600 VanDerWaalsContact O-CG 3.3Å; L596-Q600 WeakPolarHBondContact O-CG 3.22Å; L596-Q600 PolarHBondContact O-N 3.49Å; Q600-Q602 VanDerWaalsContact C-N 3.3Å; Q600-Q602 PolarHBondContact O-N 2.82Å; Q600-M603 PolarHBondContact O-N 2.87Å; Q600-G604 PolarHBondContact O-N 2.8Å; Q600-W607 HydrophobicContact CB-CD2 4.48Å; Q600-W607 HydrophobicContact CB-CG 4.49Å; Q600-W607 HydrophobicContact CG-CD2 3.51Å; Q600-W607 HydrophobicContact CG-CE3 4.01Å; Q600-W607 HydrophobicContact CG-CG 3.72Å; Q600-W607 HydrophobicContact CG-CZ2 4.3Å |
| 601 | K | 65.9 | Low | 68 | Low | 186 Ų | 186 | 97.7 Ų | 97.7 | 81% | 0.809 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.2 | -24.5 | 179.6 | -168.6 | 177.2 | 179 | -173.1 | 0 | 113.6 | K597 K598 L599 | K597-K601 VanDerWaalsContact O-CB 3.27Å; K597-K601 WeakPolarHBondContact O-CB 3.31Å; K597-K601 PolarHBondContact O-N 3.28Å; K598-K601 PolarHBondContact O-N 3.15Å; L599-K601 VanDerWaalsContact C-N 3.31Å; L599-K601 PolarHBondContact O-N 3.13Å |
| 602 | Q | 59.2 | Low | 66.4 | Low | 166 Ų | 166 | 100 Ų | 100 | 78% | 0.776 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -83.6 | -33.3 | 173.5 | -76.3 | -175.4 | -50.4 | 0 | 0 | 113.1 | K598 L599 Q600 | K598-Q602 PolarHBondContact O-N 2.96Å; L599-Q602 PolarHBondContact O-N 2.95Å; L599-Q602 VanDerWaalsContact O-N 3.1Å; Q600-Q602 VanDerWaalsContact C-N 3.3Å; Q600-Q602 PolarHBondContact O-N 2.82Å |
| 603 | M | 58.3 | Low | 65.1 | Low | 67 Ų | 67 | 103.8 Ų | 103.8 | 33% | 0.33 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -85.1 | -25.3 | -179.6 | -66.2 | -177 | 66.1 | 0 | 0 | 113 | L599 Q600 D605 A606 W607 F610 | L599-M603 HydrophobicContact CD1-SD 4.29Å; L599-M603 HydrophobicContact CG-SD 4.04Å; L599-M603 WeakPolarHBondContact O-CG 3.38Å; L599-M603 PolarHBondContact O-N 2.81Å; Q600-M603 PolarHBondContact O-N 2.87Å; M603-D605 PolarHBondContact O-N 2.94Å; M603-A606 WeakPolarHBondContact O-CB 3.24Å; M603-A606 PolarHBondContact O-N 3.01Å; M603-W607 HydrophobicContact CB-CB 4.45Å; M603-W607 HydrophobicContact CE-CE3 4.49Å; M603-W607 HydrophobicContact SD-CE3 3.75Å; M603-W607 HydrophobicContact SD-CZ3 3.99Å; M603-F610 HydrophobicContact CE-CD2 4.19Å; M603-F610 HydrophobicContact CE-CE2 3.44Å; M603-F610 VanDerWaalsContact CE-CE2 3.44Å; M603-F610 HydrophobicContact CE-CZ 4.01Å |
| 604 | G | 68.8 | Low | 64.1 | Low | 39 Ų | 39 | 102.2 Ų | 102.2 | 40% | 0.402 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | 56.7 | -136.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q600 A606 W607 | Q600-G604 PolarHBondContact O-N 2.8Å; G604-A606 PolarHBondContact O-N 3.33Å; G604-W607 VanDerWaalsContact O-CB 3.3Å; G604-W607 WeakPolarHBondContact O-CB 3Å; G604-W607 PolarHBondContact O-N 3.3Å |
| 605 | D | 70.2 | Confident | 63.6 | Low | 151 Ų | 151 | 101.2 Ų | 101.2 | 81% | 0.807 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -55.5 | -23 | 179.7 | -47.1 | -12 | 0 | 0 | 0 | 113.4 | M603 W607 D608 | M603-D605 PolarHBondContact O-N 2.94Å; D605-W607 PolarHBondContact O-N 3.19Å; D605-D608 PolarHBondContact O-N 3.43Å |
| 606 | A | 59.8 | Low | 63.1 | Low | 44 Ų | 44 | 104.4 Ų | 104.4 | 36% | 0.364 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -71.2 | -8.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | M603 G604 | M603-A606 WeakPolarHBondContact O-CB 3.24Å; M603-A606 PolarHBondContact O-N 3.01Å; G604-A606 PolarHBondContact O-N 3.33Å |
| 607 | W | 63.6 | Low | 63.4 | Low | 60 Ų | 60 | 105.3 Ų | 105.3 | 23% | 0.227 | 56% | 0.562 | C | S | . | * | G | 310 helix | trans | -70.1 | -31.7 | 171.6 | -173.7 | -91.7 | 0 | 0 | 0 | 112.6 | L596 L599 Q600 M603 G604 D605 L609 F610 | L596-W607 HydrophobicContact CD1-CH2 3.56Å; L596-W607 HydrophobicContact CD1-CZ2 3.66Å; L596-W607 HydrophobicContact CG-CZ2 4.5Å; L599-W607 HydrophobicContact CB-CZ3 4.49Å; L599-W607 HydrophobicContact CD2-CH2 4.24Å; L599-W607 HydrophobicContact CD2-CZ3 3.71Å; L599-W607 HydrophobicContact CG-CZ3 3.94Å; Q600-W607 HydrophobicContact CB-CD2 4.48Å; Q600-W607 HydrophobicContact CB-CG 4.49Å; Q600-W607 HydrophobicContact CG-CD2 3.51Å; Q600-W607 HydrophobicContact CG-CE3 4.01Å; Q600-W607 HydrophobicContact CG-CG 3.72Å; Q600-W607 HydrophobicContact CG-CZ2 4.3Å; M603-W607 HydrophobicContact CB-CB 4.45Å; M603-W607 HydrophobicContact CE-CE3 4.49Å; M603-W607 HydrophobicContact SD-CE3 3.75Å; M603-W607 HydrophobicContact SD-CZ3 3.99Å; G604-W607 VanDerWaalsContact O-CB 3.3Å; G604-W607 WeakPolarHBondContact O-CB 3Å; G604-W607 PolarHBondContact O-N 3.3Å; D605-W607 PolarHBondContact O-N 3.19Å; W607-L609 PolarHBondContact O-N 2.91Å; W607-F610 PolarHBondContact O-N 2.91Å |
| 608 | D | 67.5 | Low | 63.8 | Low | 139 Ų | 139 | 102.1 Ų | 102.1 | 74% | 0.743 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -70.1 | -4.2 | -176.2 | -67.1 | -17.6 | 0 | 0 | 0 | 113.2 | D605 F610 | D605-D608 PolarHBondContact O-N 3.43Å; D608-F610 VanDerWaalsContact C-N 3.31Å |
| 609 | L | 64.3 | Low | 64.5 | Low | 144 Ų | 144 | 99.4 Ų | 99.4 | 75% | 0.754 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -77.8 | -10.3 | 170.3 | -66 | 168.8 | 0 | 0 | 0 | 113.8 | W607 | W607-L609 PolarHBondContact O-N 2.91Š|
| 610 | F | 58 | Low | 65.6 | Low | 126 Ų | 126 | 96.7 Ų | 96.7 | 55% | 0.553 | 52% | 0.523 | S | S | * | . | trans | -104.5 | 79.9 | -174.7 | -66.2 | -91.3 | 0 | 0 | 0 | 111.3 | M603 W607 D608 G612 | M603-F610 HydrophobicContact CE-CD2 4.19Å; M603-F610 HydrophobicContact CE-CE2 3.44Å; M603-F610 VanDerWaalsContact CE-CE2 3.44Å; M603-F610 HydrophobicContact CE-CZ 4.01Å; W607-F610 PolarHBondContact O-N 2.91Å; D608-F610 VanDerWaalsContact C-N 3.31Å; F610-G612 PolarHBondContact O-N 2.85Å | ||
| 611 | E | 47.3 | Very low | 66.6 | Low | 191 Ų | 191 | 93.7 Ų | 93.7 | 89% | 0.893 | 51% | 0.509 | S | S | * | . | trans | -64.5 | 130.3 | 172.6 | -69.1 | -166.7 | 146.2 | 0 | 0 | 112 | ||||
| 612 | G | 49.5 | Very low | 67.4 | Low | 70 Ų | 70 | 85.6 Ų | 85.6 | 72% | 0.722 | 48% | 0.475 | S | S | * | . | trans | 46.9 | 88.1 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | F610 | F610-G612 PolarHBondContact O-N 2.85Š| ||
| 613 | D | 50.5 | Low | 68.6 | Low | 165 Ų | 165 | 77.7 Ų | 77.7 | 88% | 0.882 | 44% | 0.438 | S | S | * | . | -160.3 | 178.9 | 129.5 | -123.2 | -29.7 | 0 | 0 | 0 | 113.3 | |||||
| 614 | S | 57 | Low | 69.7 | Low | 98 Ų | 98 | 77.3 Ų | 77.3 | 69% | 0.685 | 44% | 0.435 | S | S | * | . | trans | -54.9 | 135 | 179 | 62.2 | 0 | 0 | 0 | 0 | 113.2 | P616 | S614-P616 VanDerWaalsContact O-CD 3.22Å; S614-P616 WeakPolarHBondContact O-CD 3.38Å | ||
| 615 | N | 66.4 | Low | 70.4 | Confident | 48 Ų | 48 | 76.2 Ų | 76.2 | 26% | 0.257 | 42% | 0.42 | S | S | . | . | trans | -49 | 109.1 | 180 | 179.4 | 4.4 | 0 | 0 | 0 | 112.1 | K592 L596 L617 | K592-N615 VanDerWaalsContact C-ND2 3.34Å; K592-N615 PolarHBondContact O-ND2 2.7Å; L596-N615 HydrophobicContact CD2-CB 4.41Å; N615-L617 VanDerWaalsContact C-N 3.27Å; N615-L617 PolarHBondContact O-N 2.67Å; N615-L617 WeakPolarHBondContact OD1-CB 3.4Å; N615-L617 WeakPolarHBondContact OD1-CG 3.36Å; N615-L617 PolarHBondContact OD1-N 3.16Å; N615-L617 VanDerWaalsContact OD1-N 3.12Å | ||
| 616 | P | 66.3 | Low | 70.7 | Confident | 107 Ų | 107 | 73 Ų | 73 | 70% | 0.695 | 41% | 0.406 | S | S | * | . | trans | -86.6 | 3.3 | -172.2 | 36.4 | -37.2 | 0 | 0 | 0 | 113 | S614 | S614-P616 VanDerWaalsContact O-CD 3.22Å; S614-P616 WeakPolarHBondContact O-CD 3.38Å | ||
| 617 | L | 79.9 | Confident | 71.2 | Confident | 54 Ų | 54 | 74 Ų | 74 | 28% | 0.283 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 144.1 | -179.5 | -58.6 | 173.7 | 0 | 0 | 0 | 110.5 | K592 Q595 L596 L599 N615 | K592-L617 HydrophobicContact CB-CB 4.12Å; K592-L617 WeakPolarHBondContact CB-O 3.36Å; K592-L617 WeakPolarHBondContact CD-O 3.35Å; Q595-L617 HydrophobicContact CB-CD1 3.91Å; L596-L617 HydrophobicContact CB-CD1 3.96Å; L596-L617 HydrophobicContact CD1-CD1 3.97Å; L599-L617 HydrophobicContact CD2-CD1 4.4Å; N615-L617 VanDerWaalsContact C-N 3.27Å; N615-L617 PolarHBondContact O-N 2.67Å; N615-L617 WeakPolarHBondContact OD1-CB 3.4Å; N615-L617 WeakPolarHBondContact OD1-CG 3.36Å; N615-L617 PolarHBondContact OD1-N 3.16Å; N615-L617 VanDerWaalsContact OD1-N 3.12Å |
| 618 | Y | 82.5 | Confident | 71.4 | Confident | 58 Ų | 58 | 71.7 Ų | 71.7 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 159.2 | 172.9 | -61.2 | -105.6 | 0 | 0 | 0 | 109.7 | F561 V562 I564 K592 F645 | F561-Y618 HydrophobicContact CB-CG 4.35Å; F561-Y618 HydrophobicContact CD1-CD2 4.05Å; F561-Y618 HydrophobicContact CD1-CG 4.17Å; V562-Y618 WeakPolarHBondContact O-CD1 3.42Å; I564-Y618 HydrophobicContact CD1-CD1 4.27Å; I564-Y618 HydrophobicContact CD1-CE1 3.69Å; I564-Y618 HydrophobicContact CG1-CD1 3.92Å; I564-Y618 HydrophobicContact CG1-CE1 3.68Å; K592-Y618 WeakPolarHBondContact CA-O 3.37Å; K592-Y618 WeakPolarHBondContact CB-O 3.44Å; Y618-F645 HydrophobicContact CD1-CD1 4.09Å; Y618-F645 HydrophobicContact CD1-CG 4.42Å; Y618-F645 HydrophobicContact CE1-CB 4.31Å; Y618-F645 AromaticContact CE1-CD1 3.43Å; Y618-F645 HydrophobicContact CE1-CD1 3.43Å; Y618-F645 VanDerWaalsContact CE1-CD1 3.43Å; Y618-F645 HydrophobicContact CE1-CD2 4.37Å; Y618-F645 AromaticContact CE1-CE1 3.77Å; Y618-F645 HydrophobicContact CE1-CE1 3.77Å; Y618-F645 AromaticContact CE1-CG 3.78Å; Y618-F645 HydrophobicContact CE1-CG 3.78Å; Y618-F645 HydrophobicContact CE1-CZ 4.37Å; Y618-F645 HydrophobicContact CE2-CD1 4.43Å; Y618-F645 HydrophobicContact CE2-CE1 4.26Å; Y618-F645 AromaticContact CZ-CD1 3.67Å; Y618-F645 AromaticContact CZ-CE1 3.51Å; Y618-F645 VanDerWaalsContact OH-CE1 3.26Å; Y618-F645 WeakPolarHBondContact OH-CE1 3.35Å; Y618-F645 WeakPolarHBondContact OH-CZ 3.41Å |
| 619 | D | 84.7 | Confident | 71.5 | Confident | 41 Ų | 41 | 69.7 Ų | 69.7 | 22% | 0.219 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 139.8 | 160.3 | -67.6 | -69.3 | 0 | 0 | 0 | 108.4 | V562 F589 S591 K592 | V562-D619 WeakPolarHBondContact CB-O 3.43Å; V562-D619 WeakPolarHBondContact CG2-O 3.27Å; V562-D619 PolarHBondContact N-O 3.11Å; F589-D619 HydrophobicContact CE2-CB 4.01Å; F589-D619 HydrophobicContact CZ-CB 3.91Å; S591-D619 WeakPolarHBondContact CA-OD1 3.37Å; S591-D619 WeakPolarHBondContact CB-OD1 3.4Å; K592-D619 PolarHBondContact N-OD1 3.07Å; K592-D619 IonicContact NZ-OD2 2.76Å; K592-D619 PolarHBondContact NZ-OD2 3Å |
| 620 | V | 88.3 | Confident | 72.3 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.024 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 132.2 | -163.3 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | T559 V560 F561 S590 Q595 V622 | T559-V620 HydrophobicContact CG2-CG1 3.55Å; V560-V620 CarbonylContact O-C 3.34Å; V560-V620 WeakPolarHBondContact O-CA 3.38Å; F561-V620 HydrophobicContact CD1-CG2 4.01Å; F561-V620 HydrophobicContact CE1-CG2 4.32Å; F561-V620 HydrophobicContact CG-CG2 4.46Å; S590-V620 PolarHBondContact N-O 3.12Å; S590-V620 PolarHBondContact O-N 2.73Å; Q595-V620 HydrophobicContact CG-CB 4.35Å; Q595-V620 HydrophobicContact CG-CG2 4.26Å; V620-V622 HydrophobicContact CG1-CG2 4.14Å |
| 621 | Y | 90.1 | Very high | 73.3 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.6 | 162.7 | -81.1 | -67.4 | 0 | 0 | 0 | 110.6 | V560 V562 L571 L574 K575 L578 V587 F589 | V560-Y621 PolarHBondContact N-O 2.62Å; V560-Y621 PolarHBondContact O-N 2.83Å; V562-Y621 HydrophobicContact CG2-CD2 3.72Å; V562-Y621 HydrophobicContact CG2-CE2 4.07Å; L571-Y621 HydrophobicContact CD1-CE2 3.87Å; L571-Y621 HydrophobicContact CG-CE2 4.16Å; L571-Y621 PolarHBondContact O-OH 3.2Å; L574-Y621 HydrophobicContact CD2-CD2 4.19Å; L574-Y621 HydrophobicContact CD2-CE2 4.29Å; L574-Y621 HydrophobicContact CG-CD2 4.37Å; L574-Y621 HydrophobicContact CG-CE2 4.38Å; K575-Y621 HydrophobicContact CB-CE1 4.05Å; K575-Y621 HydrophobicContact CG-CD1 4.41Å; K575-Y621 HydrophobicContact CG-CE1 3.64Å; L578-Y621 HydrophobicContact CD1-CD2 3.8Å; L578-Y621 HydrophobicContact CD1-CG 3.75Å; V587-Y621 HydrophobicContact CG1-CD1 3.41Å; V587-Y621 VanDerWaalsContact CG1-CD1 3.41Å; V587-Y621 HydrophobicContact CG1-CE1 3.99Å; V587-Y621 HydrophobicContact CG1-CG 4.05Å; F589-Y621 HydrophobicContact CB-CD1 4.08Å; F589-Y621 HydrophobicContact CB-CE1 3.56Å; F589-Y621 HydrophobicContact CD2-CD1 4.02Å; F589-Y621 HydrophobicContact CD2-CD2 4.31Å; F589-Y621 AromaticContact CD2-CE1 3.6Å; F589-Y621 HydrophobicContact CD2-CE1 3.6Å; F589-Y621 AromaticContact CD2-CE2 3.91Å; F589-Y621 HydrophobicContact CD2-CE2 3.91Å; F589-Y621 HydrophobicContact CD2-CG 4.34Å; F589-Y621 AromaticContact CD2-CZ 3.52Å; F589-Y621 HydrophobicContact CE2-CE2 4.35Å; F589-Y621 AromaticContact CG-CE1 3.99Å; F589-Y621 HydrophobicContact CG-CE1 3.99Å |
| 622 | V | 83.5 | Confident | 74.7 | Confident | 16 Ų | 16 | 58 Ų | 58 | 10% | 0.097 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 112.1 | 171.7 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | E557 T588 V620 | E557-V622 HydrophobicContact CB-CG1 3.71Å; E557-V622 HydrophobicContact CG-CG1 4.2Å; E557-V622 WeakPolarHBondContact OE2-CG1 3.44Å; T588-V622 PolarHBondContact N-O 2.74Å; T588-V622 PolarHBondContact O-N 3.47Å; V620-V622 HydrophobicContact CG1-CG2 4.14Å |
| 623 | V | 84.8 | Confident | 76.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 108.5 | -173.5 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | V558 V560 L578 V584 V587 V634 | V558-V623 HydrophobicContact CB-CB 4.15Å; V558-V623 PolarHBondContact N-O 2.83Å; V558-V623 PolarHBondContact O-N 3.41Å; V560-V623 HydrophobicContact CG2-CG2 3.77Å; L578-V623 HydrophobicContact CD1-CG2 4.32Å; L578-V623 HydrophobicContact CD2-CG2 4.26Å; V584-V623 HydrophobicContact CB-CG1 4.3Å; V584-V623 HydrophobicContact CG1-CG1 3.74Å; V584-V623 HydrophobicContact CG2-CG1 3.55Å; V587-V623 HydrophobicContact CG1-CG2 4.39Å; V587-V623 HydrophobicContact CG2-CG2 4.3Å; V623-V634 HydrophobicContact CG1-CG1 4.1Å |
| 624 | K | 81 | Confident | 77.8 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 26% | 0.261 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 132.3 | 173.3 | -169.4 | 167.4 | -171 | 129.1 | 0 | 109.9 | G554 D585 K586 | G554-K624 VanDerWaalsContact O-CE 3.31Å; G554-K624 WeakPolarHBondContact O-CE 3.42Å; G554-K624 PolarHBondContact O-NZ 3.28Å; D585-K624 PolarHBondContact N-O 3.21Å; K586-K624 HydrophobicContact CB-CB 4.27Å; K586-K624 PolarHBondContact N-O 2.89Å; K586-K624 PolarHBondContact O-N 3.47Å |
| 625 | V | 82.4 | Confident | 79.1 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 145.2 | -177.4 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | V558 H583 D627 I631 V634 | V558-V625 HydrophobicContact CG2-CG2 3.66Å; H583-V625 WeakPolarHBondContact O-CG1 3.28Å; V625-D627 WeakPolarHBondContact CG1-O 3.25Å; V625-D627 PolarHBondContact O-N 3.04Å; V625-I631 HydrophobicContact CB-CG1 3.92Å; V625-I631 HydrophobicContact CG1-CG1 4.18Å; V625-I631 HydrophobicContact CG2-CG1 3.89Å; V625-V634 HydrophobicContact CG1-CG2 4.09Å; V625-V634 HydrophobicContact CG2-CB 4.17Å; V625-V634 HydrophobicContact CG2-CG1 4.01Å; V625-V634 HydrophobicContact CG2-CG2 4.38Å |
| 626 | T | 76.6 | Confident | 79.8 | Confident | 83 Ų | 83 | 52.5 Ų | 52.5 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -67.3 | -31.1 | -176.1 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | H583 D585 | H583-T626 WeakPolarHBondContact CB-OG1 3.31Å; H583-T626 WeakPolarHBondContact O-CG2 3.44Å; H583-T626 PolarHBondContact O-N 3.43Å; H583-T626 PolarHBondContact O-OG1 3.06Å; D585-T626 HydrophobicContact CB-CG2 3.93Å |
| 627 | D | 71.3 | Confident | 80.8 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 35% | 0.353 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -148.4 | 139.5 | 174.8 | -179.9 | -40.3 | 0 | 0 | 0 | 109.1 | V625 Q629 Y630 | V625-D627 WeakPolarHBondContact CG1-O 3.25Å; V625-D627 PolarHBondContact O-N 3.04Å; D627-Q629 HydrophobicContact CB-CG 4.26Å; D627-Q629 VanDerWaalsContact CG-NE2 3.29Å; D627-Q629 PolarHBondContact O-N 3.31Å; D627-Q629 VanDerWaalsContact OD1-CG 3.3Å; D627-Q629 WeakPolarHBondContact OD1-CG 3.47Å; D627-Q629 PolarHBondContact OD1-N 3.12Å; D627-Q629 PolarHBondContact OD2-NE2 3.07Å; D627-Y630 HydrophobicContact CB-CD2 3.85Å; D627-Y630 HydrophobicContact CB-CE2 4.03Å; D627-Y630 PolarHBondContact O-N 2.92Å |
| 628 | A | 66.8 | Low | 81.2 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -55.9 | -24.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | E553 Y630 I631 I658 | E553-A628 HydrophobicContact CB-CB 4.06Å; E553-A628 HydrophobicContact CG-CB 4.02Å; A628-Y630 PolarHBondContact O-N 3.13Å; A628-I631 HydrophobicContact CB-CD1 4Å; A628-I631 WeakPolarHBondContact O-CB 3.16Å; A628-I631 PolarHBondContact O-N 2.87Å; A628-I658 HydrophobicContact CB-CD1 4.2Å; A628-I658 HydrophobicContact CB-CG1 4.16Å |
| 629 | Q | 70.4 | Confident | 81.3 | Confident | 98 Ų | 98 | 48.7 Ų | 48.7 | 46% | 0.458 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -62.9 | -26.9 | 174.8 | 74.8 | -172 | -59.1 | 0 | 0 | 113.7 | D627 | D627-Q629 HydrophobicContact CB-CG 4.26Å; D627-Q629 VanDerWaalsContact CG-NE2 3.29Å; D627-Q629 PolarHBondContact O-N 3.31Å; D627-Q629 VanDerWaalsContact OD1-CG 3.3Å; D627-Q629 WeakPolarHBondContact OD1-CG 3.47Å; D627-Q629 PolarHBondContact OD1-N 3.12Å; D627-Q629 PolarHBondContact OD2-NE2 3.07Å |
| 630 | Y | 80.6 | Confident | 81.5 | Confident | 71 Ų | 71 | 54.5 Ų | 54.5 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -90.7 | -3.9 | -179.7 | -57.1 | -67.4 | 0 | 0 | 0 | 113.9 | H583 D627 A628 R632 P633 V634 | H583-Y630 HydrophobicContact CB-CD1 4.29Å; H583-Y630 HydrophobicContact CB-CD2 3.72Å; H583-Y630 HydrophobicContact CB-CE2 4.46Å; H583-Y630 HydrophobicContact CB-CG 3.63Å; H583-Y630 AromaticContact CD2-CD1 3.52Å; H583-Y630 AromaticContact CD2-CE1 3.79Å; H583-Y630 AromaticContact CD2-CG 3.8Å; H583-Y630 AromaticContact CE1-CD1 4Å; H583-Y630 AromaticContact CE1-CE1 3.5Å; H583-Y630 AromaticContact CE1-CE2 3.76Å; H583-Y630 AromaticContact CE1-CZ 3.37Å; H583-Y630 AromaticContact CG-CD1 3.67Å; H583-Y630 AromaticContact CG-CD2 3.58Å; H583-Y630 AromaticContact CG-CE1 3.97Å; H583-Y630 AromaticContact CG-CE2 3.9Å; H583-Y630 AromaticContact CG-CG 3.46Å; H583-Y630 VanDerWaalsContact CG-CG 3.46Å; H583-Y630 AromaticContact ND1-CD1 3.96Å; H583-Y630 AromaticContact ND1-CD2 3.53Å; H583-Y630 AromaticContact ND1-CE1 3.8Å; H583-Y630 AromaticContact ND1-CE2 3.37Å; H583-Y630 WeakPolarHBondContact ND1-CE2 3.5Å; H583-Y630 AromaticContact ND1-CG 3.84Å; H583-Y630 AromaticContact ND1-CZ 3.5Å; H583-Y630 AromaticContact NE2-CD1 3.75Å; H583-Y630 AromaticContact NE2-CE1 3.49Å; H583-Y630 WeakPolarHBondContact NE2-CE1 3.42Å; H583-Y630 AromaticContact NE2-CZ 3.88Å; D627-Y630 HydrophobicContact CB-CD2 3.85Å; D627-Y630 HydrophobicContact CB-CE2 4.03Å; D627-Y630 PolarHBondContact O-N 2.92Å; A628-Y630 PolarHBondContact O-N 3.13Å; Y630-R632 VanDerWaalsContact C-N 3.3Å; Y630-R632 PolarHBondContact O-N 3.36Å; Y630-P633 VanDerWaalsContact O-CD 3.27Å; Y630-P633 WeakPolarHBondContact O-CD 3.46Å; Y630-V634 WeakPolarHBondContact O-CB 3.23Å; Y630-V634 WeakPolarHBondContact O-CG2 3.35Å; Y630-V634 PolarHBondContact O-N 2.87Å |
| 631 | I | 78.9 | Confident | 81.5 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.5 | -41.3 | -179 | -73.5 | 173.9 | 0 | 0 | 0 | 112.2 | V556 V558 V625 A628 T635 Y649 I658 | V556-I631 HydrophobicContact CB-CD1 3.71Å; V556-I631 HydrophobicContact CG1-CD1 3.67Å; V556-I631 WeakPolarHBondContact O-CD1 3.36Å; V558-I631 HydrophobicContact CG2-CG2 4.01Å; V625-I631 HydrophobicContact CB-CG1 3.92Å; V625-I631 HydrophobicContact CG1-CG1 4.18Å; V625-I631 HydrophobicContact CG2-CG1 3.89Å; A628-I631 HydrophobicContact CB-CD1 4Å; A628-I631 WeakPolarHBondContact O-CB 3.16Å; A628-I631 PolarHBondContact O-N 2.87Å; I631-T635 VanDerWaalsContact O-CB 3.29Å; I631-T635 WeakPolarHBondContact O-CB 3.34Å; I631-T635 PolarHBondContact O-N 3.3Å; I631-T635 PolarHBondContact O-OG1 3.47Å; I631-Y649 HydrophobicContact CG2-CD1 3.99Å; I631-Y649 HydrophobicContact CG2-CD2 3.39Å; I631-Y649 HydrophobicContact CG2-CE2 4.08Å; I631-Y649 HydrophobicContact CG2-CG 3.35Å; I631-I658 HydrophobicContact CD1-CD1 4.15Å |
| 632 | R | 77.6 | Confident | 81.1 | Confident | 142 Ų | 142 | 58.7 Ų | 58.7 | 54% | 0.536 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.3 | -50 | 176.9 | -82.5 | 176.2 | 168.1 | -137 | -7.7 | 112.6 | Y630 R636 Y649 D655 | Y630-R632 VanDerWaalsContact C-N 3.3Å; Y630-R632 PolarHBondContact O-N 3.36Å; R632-R636 PolarHBondContact O-N 3.23Å; R632-R636 VanDerWaalsContact O-N 3.17Å; R632-Y649 HydrophobicContact CG-CE1 4.22Å; R632-Y649 HydrophobicContact CG-CE2 4.38Å; R632-Y649 VanDerWaalsContact CG-OH 3.3Å; R632-Y649 WeakPolarHBondContact CG-OH 3.43Å; R632-Y649 PolarHBondContact NE-OH 2.75Å; R632-D655 IonicContact CZ-OD1 3.83Å; R632-D655 VanDerWaalsContact CZ-OD1 3.32Å; R632-D655 IonicContact CZ-OD2 3.68Å; R632-D655 IonicContact NE-OD1 3.24Å; R632-D655 PolarHBondContact NE-OD1 3.41Å; R632-D655 IonicContact NE-OD2 2.72Å; R632-D655 IonicContact NH2-OD1 2.78Å; R632-D655 PolarHBondContact NH2-OD1 3.3Å; R632-D655 VanDerWaalsContact NH2-OD1 3.1Å; R632-D655 IonicContact NH2-OD2 3.78Å; R632-D655 PolarHBondContact NH2-OD2 2.89Å |
| 633 | P | 79.8 | Confident | 81.3 | Confident | 63 Ų | 63 | 60.2 Ų | 60.2 | 41% | 0.409 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -51 | -57.9 | 167.8 | -30.6 | 34.4 | 0 | 0 | 0 | 114 | Y630 T635 R636 E637 | Y630-P633 VanDerWaalsContact O-CD 3.27Å; Y630-P633 WeakPolarHBondContact O-CD 3.46Å; P633-T635 VanDerWaalsContact C-N 3.31Å; P633-T635 PolarHBondContact O-N 2.97Å; P633-R636 WeakPolarHBondContact O-CA 3.32Å; P633-R636 WeakPolarHBondContact O-CB 3.08Å; P633-R636 PolarHBondContact O-N 3.03Å; P633-E637 PolarHBondContact O-N 3.27Å |
| 634 | V | 85.4 | Confident | 81.4 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.9 | -39.1 | -176.8 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | V558 I581 N582 H583 V584 V623 V625 Y630 R636 E637 A638 | V558-V634 HydrophobicContact CG2-CG1 4.43Å; I581-V634 HydrophobicContact CG2-CB 4.4Å; I581-V634 HydrophobicContact CG2-CG1 4.15Å; I581-V634 HydrophobicContact CG2-CG2 4.01Å; N582-V634 WeakPolarHBondContact O-CG2 3.48Å; H583-V634 HydrophobicContact CB-CG2 4.4Å; V584-V634 HydrophobicContact CG2-CG1 3.73Å; V584-V634 HydrophobicContact CG2-CG2 4.34Å; V623-V634 HydrophobicContact CG1-CG1 4.1Å; V625-V634 HydrophobicContact CG1-CG2 4.09Å; V625-V634 HydrophobicContact CG2-CB 4.17Å; V625-V634 HydrophobicContact CG2-CG1 4.01Å; V625-V634 HydrophobicContact CG2-CG2 4.38Å; Y630-V634 WeakPolarHBondContact O-CB 3.23Å; Y630-V634 WeakPolarHBondContact O-CG2 3.35Å; Y630-V634 PolarHBondContact O-N 2.87Å; V634-R636 PolarHBondContact O-N 2.73Å; V634-E637 PolarHBondContact O-N 3.24Å; V634-A638 WeakPolarHBondContact O-CB 3.47Å; V634-A638 PolarHBondContact O-N 3.04Å |
| 635 | T | 83.7 | Confident | 81.6 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 174.6 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | V558 I631 P633 S639 A647 Y649 | V558-T635 HydrophobicContact CG1-CG2 4.41Å; V558-T635 WeakPolarHBondContact CG2-OG1 3.47Å; I631-T635 VanDerWaalsContact O-CB 3.29Å; I631-T635 WeakPolarHBondContact O-CB 3.34Å; I631-T635 PolarHBondContact O-N 3.3Å; I631-T635 PolarHBondContact O-OG1 3.47Å; P633-T635 VanDerWaalsContact C-N 3.31Å; P633-T635 PolarHBondContact O-N 2.97Å; T635-S639 VanDerWaalsContact O-CB 3.27Å; T635-S639 WeakPolarHBondContact O-CB 3.31Å; T635-S639 PolarHBondContact O-N 3.23Å; T635-S639 PolarHBondContact O-OG 2.75Å; T635-A647 HydrophobicContact CG2-CB 3.8Å; T635-Y649 HydrophobicContact CG2-CD1 3.92Å; T635-Y649 HydrophobicContact CG2-CE1 4.39Å; T635-Y649 VanDerWaalsContact OG1-CD1 3.28Å; T635-Y649 WeakPolarHBondContact OG1-CD1 3.34Å |
| 636 | R | 82.2 | Confident | 81.5 | Confident | 188 Ų | 188 | 67.6 Ų | 67.6 | 71% | 0.709 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66 | -46.8 | 177.8 | -78.1 | -177.9 | 171.3 | -176.1 | -2.5 | 111.5 | R632 P633 V634 S639 Q640 | R632-R636 PolarHBondContact O-N 3.23Å; R632-R636 VanDerWaalsContact O-N 3.17Å; P633-R636 WeakPolarHBondContact O-CA 3.32Å; P633-R636 WeakPolarHBondContact O-CB 3.08Å; P633-R636 PolarHBondContact O-N 3.03Å; V634-R636 PolarHBondContact O-N 2.73Å; R636-S639 WeakPolarHBondContact CA-OG 3.29Å; R636-S639 PolarHBondContact O-N 3.04Å; R636-S639 PolarHBondContact O-OG 3.3Å; R636-Q640 WeakPolarHBondContact O-CG 3.16Å; R636-Q640 PolarHBondContact O-N 3.35Å |
| 637 | E | 86.7 | Confident | 81.8 | Confident | 83 Ų | 83 | 64.5 Ų | 64.5 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.4 | -48.3 | -179.9 | -159.8 | 169 | 158.5 | 0 | 0 | 110.8 | I581 P633 V634 S639 Q640 | I581-E637 HydrophobicContact CD1-CB 4.25Å; I581-E637 HydrophobicContact CD1-CG 4.24Å; I581-E637 HydrophobicContact CG1-CG 4.1Å; I581-E637 HydrophobicContact CG2-CB 4.32Å; I581-E637 HydrophobicContact CG2-CG 4.28Å; P633-E637 PolarHBondContact O-N 3.27Å; V634-E637 PolarHBondContact O-N 3.24Å; E637-S639 VanDerWaalsContact C-N 3.28Å; E637-S639 PolarHBondContact O-N 2.94Å; E637-Q640 PolarHBondContact O-N 2.88Å |
| 638 | A | 87.7 | Confident | 82 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.9 | -34.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | V560 L578 I581 V634 Q640 L641 V644 A647 | V560-A638 HydrophobicContact CG2-CB 3.95Å; L578-A638 HydrophobicContact CD2-CB 3.62Å; I581-A638 HydrophobicContact CD1-CB 3.87Å; V634-A638 WeakPolarHBondContact O-CB 3.47Å; V634-A638 PolarHBondContact O-N 3.04Å; A638-Q640 PolarHBondContact O-N 2.95Å; A638-L641 PolarHBondContact O-N 3.26Å; A638-V644 WeakPolarHBondContact O-CG1 2.97Å; A638-V644 WeakPolarHBondContact O-CG2 3.01Å; A638-A647 HydrophobicContact CB-CB 4.18Å |
| 639 | S | 85.8 | Confident | 82.3 | Confident | 57 Ų | 57 | 65.7 Ų | 65.7 | 40% | 0.399 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -5.9 | 176.4 | 72.3 | 0 | 0 | 0 | 0 | 114.9 | T635 R636 E637 | T635-S639 VanDerWaalsContact O-CB 3.27Å; T635-S639 WeakPolarHBondContact O-CB 3.31Å; T635-S639 PolarHBondContact O-N 3.23Å; T635-S639 PolarHBondContact O-OG 2.75Å; R636-S639 WeakPolarHBondContact CA-OG 3.29Å; R636-S639 PolarHBondContact O-N 3.04Å; R636-S639 PolarHBondContact O-OG 3.3Å; E637-S639 VanDerWaalsContact C-N 3.28Å; E637-S639 PolarHBondContact O-N 2.94Å |
| 640 | Q | 87.3 | Confident | 81.9 | Confident | 162 Ų | 162 | 63.5 Ų | 63.5 | 76% | 0.757 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -5.4 | 177.6 | -68 | 176.9 | 7.7 | 0 | 0 | 113.1 | R636 E637 A638 | R636-Q640 WeakPolarHBondContact O-CG 3.16Å; R636-Q640 PolarHBondContact O-N 3.35Å; E637-Q640 PolarHBondContact O-N 2.88Å; A638-Q640 PolarHBondContact O-N 2.95Å |
| 641 | L | 88.6 | Confident | 81 | Confident | 42 Ų | 42 | 61 Ų | 61 | 22% | 0.22 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -69.2 | 157.9 | 176.3 | -67.7 | -176.4 | 0 | 0 | 0 | 112.5 | L574 E577 L578 I581 A638 V644 | L574-L641 HydrophobicContact CD1-CB 4.14Å; L574-L641 HydrophobicContact CD1-CD1 3.91Å; E577-L641 HydrophobicContact CB-CD1 3.66Å; E577-L641 HydrophobicContact CB-CD2 3.98Å; E577-L641 HydrophobicContact CB-CG 4.4Å; L578-L641 HydrophobicContact CD2-CD1 3.58Å; L578-L641 HydrophobicContact CG-CD1 3.8Å; I581-L641 HydrophobicContact CD1-CD1 3.94Å; I581-L641 HydrophobicContact CD1-CG 4.47Å; A638-L641 PolarHBondContact O-N 3.26Å; L641-V644 HydrophobicContact CB-CG2 4Å |
| 642 | S | 82.3 | Confident | 79.7 | Confident | 59 Ų | 59 | 66.6 Ų | 66.6 | 41% | 0.413 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 150.7 | 172.5 | 79.1 | 0 | 0 | 0 | 0 | 110.5 | E577 V644 | E577-S642 PolarHBondContact OE2-OG 2.89Å; S642-V644 PolarHBondContact O-N 2.96Å; S642-V644 VanDerWaalsContact O-N 3.13Å |
| 643 | N | 87 | Confident | 78.3 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 13.8 | 177.4 | -56.6 | -84.7 | 0 | 0 | 0 | 116.1 | D563 T566 L574 | D563-N643 PolarHBondContact N-O 2.86Å; T566-N643 HydrophobicContact CG2-CB 3.8Å; T566-N643 WeakPolarHBondContact OG1-CB 3.13Å; T566-N643 PolarHBondContact OG1-OD1 2.79Å; T566-N643 VanDerWaalsContact OG1-OD1 3.09Å; L574-N643 HydrophobicContact CD2-CB 4.23Å |
| 644 | V | 87.8 | Confident | 77.3 | Confident | 18 Ų | 18 | 61 Ų | 61 | 11% | 0.109 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 117.8 | 172.7 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | V560 L574 A638 L641 S642 | V560-V644 HydrophobicContact CG1-CB 4.27Å; V560-V644 HydrophobicContact CG1-CG1 3.61Å; V560-V644 HydrophobicContact CG1-CG2 3.64Å; L574-V644 HydrophobicContact CD1-CG2 3.53Å; L574-V644 HydrophobicContact CD2-CG2 4.07Å; L574-V644 HydrophobicContact CG-CG2 4.46Å; A638-V644 WeakPolarHBondContact O-CG1 2.97Å; A638-V644 WeakPolarHBondContact O-CG2 3.01Å; L641-V644 HydrophobicContact CB-CG2 4Å; S642-V644 PolarHBondContact O-N 2.96Å; S642-V644 VanDerWaalsContact O-N 3.13Å |
| 645 | F | 84.2 | Confident | 76 | Confident | 95 Ų | 95 | 62.2 Ų | 62.2 | 42% | 0.417 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -40.5 | 173.8 | 174.9 | -111.5 | 0 | 0 | 0 | 111.9 | F561 D563 Y618 | F561-F645 HydrophobicContact CB-CD1 4.44Å; F561-F645 PolarHBondContact O-N 3.45Å; D563-F645 HydrophobicContact CB-CB 4.33Å; Y618-F645 HydrophobicContact CD1-CD1 4.09Å; Y618-F645 HydrophobicContact CD1-CG 4.42Å; Y618-F645 HydrophobicContact CE1-CB 4.31Å; Y618-F645 AromaticContact CE1-CD1 3.43Å; Y618-F645 HydrophobicContact CE1-CD1 3.43Å; Y618-F645 VanDerWaalsContact CE1-CD1 3.43Å; Y618-F645 HydrophobicContact CE1-CD2 4.37Å; Y618-F645 AromaticContact CE1-CE1 3.77Å; Y618-F645 HydrophobicContact CE1-CE1 3.77Å; Y618-F645 AromaticContact CE1-CG 3.78Å; Y618-F645 HydrophobicContact CE1-CG 3.78Å; Y618-F645 HydrophobicContact CE1-CZ 4.37Å; Y618-F645 HydrophobicContact CE2-CD1 4.43Å; Y618-F645 HydrophobicContact CE2-CE1 4.26Å; Y618-F645 AromaticContact CZ-CD1 3.67Å; Y618-F645 AromaticContact CZ-CE1 3.51Å; Y618-F645 VanDerWaalsContact OH-CE1 3.26Å; Y618-F645 WeakPolarHBondContact OH-CE1 3.35Å; Y618-F645 WeakPolarHBondContact OH-CZ 3.41Å |
| 646 | R | 80.3 | Confident | 74.7 | Confident | 118 Ų | 118 | 68.4 Ų | 68.4 | 45% | 0.445 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | 157.5 | 172.3 | 64.4 | -172.8 | -174.3 | -174.2 | -0.4 | 111.3 | F561 | F561-R646 HydrophobicContact CB-CG 3.91Å; F561-R646 HydrophobicContact CD2-CG 3.56Å; F561-R646 VanDerWaalsContact CE1-NH2 3.26Å; F561-R646 HydrophobicContact CE2-CG 4.32Å; F561-R646 HydrophobicContact CG-CG 3.87Å; F561-R646 PolarHBondContact N-O 3.09Å |
| 647 | A | 83 | Confident | 73.7 | Confident | 17 Ų | 17 | 62.5 Ų | 62.5 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 143.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V558 T559 V560 T635 A638 | V558-A647 HydrophobicContact CG1-CB 4.42Å; T559-A647 CarbonylContact O-C 3.43Å; T559-A647 WeakPolarHBondContact O-CA 3.31Å; V560-A647 HydrophobicContact CG2-CB 4.04Å; T635-A647 HydrophobicContact CG2-CB 3.8Å; A638-A647 HydrophobicContact CB-CB 4.18Å |
| 648 | N | 75.2 | Confident | 72.6 | Confident | 71 Ų | 71 | 59.4 Ų | 59.4 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 146 | 179.8 | -172.5 | 7 | 0 | 0 | 0 | 111.4 | T559 G650 | T559-N648 WeakPolarHBondContact CA-O 3.34Å; T559-N648 WeakPolarHBondContact CB-O 3.37Å; T559-N648 PolarHBondContact N-O 2.8Å; T559-N648 PolarHBondContact O-N 3.11Å; N648-G650 PolarHBondContact OD1-N 3.43Å |
| 649 | Y | 74.3 | Confident | 71.3 | Confident | 31 Ų | 31 | 65.9 Ų | 65.9 | 12% | 0.122 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -119.6 | 33.5 | -178 | 61.6 | -80.5 | 0 | 0 | 0 | 112.6 | I631 R632 T635 G651 A654 D655 | I631-Y649 HydrophobicContact CG2-CD1 3.99Å; I631-Y649 HydrophobicContact CG2-CD2 3.39Å; I631-Y649 HydrophobicContact CG2-CE2 4.08Å; I631-Y649 HydrophobicContact CG2-CG 3.35Å; R632-Y649 HydrophobicContact CG-CE1 4.22Å; R632-Y649 HydrophobicContact CG-CE2 4.38Å; R632-Y649 VanDerWaalsContact CG-OH 3.3Å; R632-Y649 WeakPolarHBondContact CG-OH 3.43Å; R632-Y649 PolarHBondContact NE-OH 2.75Å; T635-Y649 HydrophobicContact CG2-CD1 3.92Å; T635-Y649 HydrophobicContact CG2-CE1 4.39Å; T635-Y649 VanDerWaalsContact OG1-CD1 3.28Å; T635-Y649 WeakPolarHBondContact OG1-CD1 3.34Å; Y649-G651 PolarHBondContact O-N 3.3Å; Y649-A654 HydrophobicContact CD2-CB 3.85Å; Y649-A654 HydrophobicContact CE2-CB 4.37Å; Y649-A654 WeakPolarHBondContact O-CB 3.44Å; Y649-D655 PolarHBondContact OH-OD1 2.87Å; Y649-D655 PolarHBondContact OH-OD2 2.94Å; Y649-D655 VanDerWaalsContact OH-OD2 3.13Å |
| 650 | G | 62 | Low | 69.9 | Low | 52 Ų | 52 | 69.2 Ų | 69.2 | 54% | 0.536 | 36% | 0.362 | S | S | . | . | trans | 77.4 | 1.5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | N648 | N648-G650 PolarHBondContact OD1-N 3.43Š| ||
| 651 | G | 61.1 | Low | 68.7 | Low | 19 Ų | 19 | 61.7 Ų | 61.7 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -137.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y649 S653 A654 D655 | Y649-G651 PolarHBondContact O-N 3.3Å; G651-S653 PolarHBondContact O-N 3.26Å; G651-A654 PolarHBondContact O-N 2.95Å; G651-D655 PolarHBondContact O-N 3.37Å |
| 652 | N | 51.9 | Low | 67.5 | Low | 121 Ų | 121 | 64.7 Ų | 64.7 | 65% | 0.647 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -53 | -28.6 | -174.9 | -72.6 | -13 | 0 | 0 | 0 | 114.3 | R656 | N652-R656 VanDerWaalsContact O-CB 3.29Å; N652-R656 WeakPolarHBondContact O-CB 3.37Å; N652-R656 WeakPolarHBondContact O-CD 3.41Å; N652-R656 WeakPolarHBondContact O-CG 3.25Å; N652-R656 PolarHBondContact O-N 2.99Å |
| 653 | S | 48.4 | Very low | 66.5 | Low | 80 Ų | 80 | 65.4 Ų | 65.4 | 56% | 0.559 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -70.1 | -40.4 | 176.7 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | G651 I657 | G651-S653 PolarHBondContact O-N 3.26Å; S653-I657 WeakPolarHBondContact O-CG1 3.37Å; S653-I657 PolarHBondContact O-N 3.29Å |
| 654 | A | 58.1 | Low | 65.4 | Low | 6 Ų | 6 | 65.3 Ų | 65.3 | 5% | 0.05 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -73.9 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V556 Y649 G651 R656 I657 I658 | V556-A654 HydrophobicContact CG1-CB 3.73Å; Y649-A654 HydrophobicContact CD2-CB 3.85Å; Y649-A654 HydrophobicContact CE2-CB 4.37Å; Y649-A654 WeakPolarHBondContact O-CB 3.44Å; G651-A654 PolarHBondContact O-N 2.95Å; A654-R656 VanDerWaalsContact C-N 3.28Å; A654-R656 PolarHBondContact O-N 3.01Å; A654-I657 WeakPolarHBondContact O-CB 3.47Å; A654-I657 PolarHBondContact O-N 3.02Å; A654-I657 VanDerWaalsContact O-N 3.14Å; A654-I658 VanDerWaalsContact O-CG1 3.3Å; A654-I658 WeakPolarHBondContact O-CG1 3.41Å; A654-I658 PolarHBondContact O-N 3.43Å |
| 655 | D | 58.4 | Low | 64.2 | Low | 28 Ų | 28 | 70.1 Ų | 70.1 | 15% | 0.15 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.5 | -41.2 | 172.4 | -79.2 | -46.9 | 0 | 0 | 0 | 111.6 | R632 Y649 G651 I658 Q659 | R632-D655 IonicContact CZ-OD1 3.83Å; R632-D655 VanDerWaalsContact CZ-OD1 3.32Å; R632-D655 IonicContact CZ-OD2 3.68Å; R632-D655 IonicContact NE-OD1 3.24Å; R632-D655 PolarHBondContact NE-OD1 3.41Å; R632-D655 IonicContact NE-OD2 2.72Å; R632-D655 IonicContact NH2-OD1 2.78Å; R632-D655 PolarHBondContact NH2-OD1 3.3Å; R632-D655 VanDerWaalsContact NH2-OD1 3.1Å; R632-D655 IonicContact NH2-OD2 3.78Å; R632-D655 PolarHBondContact NH2-OD2 2.89Å; Y649-D655 PolarHBondContact OH-OD1 2.87Å; Y649-D655 PolarHBondContact OH-OD2 2.94Å; Y649-D655 VanDerWaalsContact OH-OD2 3.13Å; G651-D655 PolarHBondContact O-N 3.37Å; D655-I658 PolarHBondContact O-N 3.18Å; D655-Q659 WeakPolarHBondContact O-CB 3.44Å; D655-Q659 PolarHBondContact O-N 3.04Å |
| 656 | R | 56.3 | Low | 63 | Low | 141 Ų | 141 | 69.6 Ų | 69.6 | 53% | 0.532 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 173 | -78.6 | 171.1 | -174.4 | -174.8 | 2.7 | 112 | N652 A654 Q659 M660 | N652-R656 VanDerWaalsContact O-CB 3.29Å; N652-R656 WeakPolarHBondContact O-CB 3.37Å; N652-R656 WeakPolarHBondContact O-CD 3.41Å; N652-R656 WeakPolarHBondContact O-CG 3.25Å; N652-R656 PolarHBondContact O-N 2.99Å; A654-R656 VanDerWaalsContact C-N 3.28Å; A654-R656 PolarHBondContact O-N 3.01Å; R656-Q659 PolarHBondContact O-N 2.92Å; R656-M660 WeakPolarHBondContact O-CB 3.34Å; R656-M660 PolarHBondContact O-N 2.91Å |
| 657 | I | 61.5 | Low | 61.9 | Low | 64 Ų | 64 | 71.7 Ų | 71.7 | 33% | 0.328 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.5 | -48.2 | 175 | -81.7 | 165.4 | 0 | 0 | 0 | 110.8 | V552 V556 S653 A654 M660 A661 | V552-I657 HydrophobicContact CB-CG2 4.28Å; V552-I657 HydrophobicContact CG1-CB 4.45Å; V552-I657 HydrophobicContact CG1-CD1 3.92Å; V552-I657 HydrophobicContact CG1-CG1 4.16Å; V552-I657 HydrophobicContact CG1-CG2 3.46Å; V552-I657 VanDerWaalsContact CG1-CG2 3.46Å; V556-I657 HydrophobicContact CG2-CG2 4.17Å; S653-I657 WeakPolarHBondContact O-CG1 3.37Å; S653-I657 PolarHBondContact O-N 3.29Å; A654-I657 WeakPolarHBondContact O-CB 3.47Å; A654-I657 PolarHBondContact O-N 3.02Å; A654-I657 VanDerWaalsContact O-N 3.14Å; I657-M660 PolarHBondContact O-N 3.26Å; I657-A661 VanDerWaalsContact O-CB 3.27Å; I657-A661 WeakPolarHBondContact O-CB 3.4Å; I657-A661 PolarHBondContact O-N 3.22Å |
| 658 | I | 63 | Low | 60.9 | Low | 19 Ų | 19 | 71.3 Ų | 71.3 | 10% | 0.097 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.9 | -40 | -178.7 | -64.2 | 164.1 | 0 | 0 | 0 | 111 | E553 A628 I631 A654 D655 K662 | E553-I658 HydrophobicContact CG-CG1 4.39Å; A628-I658 HydrophobicContact CB-CD1 4.2Å; A628-I658 HydrophobicContact CB-CG1 4.16Å; I631-I658 HydrophobicContact CD1-CD1 4.15Å; A654-I658 VanDerWaalsContact O-CG1 3.3Å; A654-I658 WeakPolarHBondContact O-CG1 3.41Å; A654-I658 PolarHBondContact O-N 3.43Å; D655-I658 PolarHBondContact O-N 3.18Å; I658-K662 WeakPolarHBondContact O-CB 3.3Å; I658-K662 WeakPolarHBondContact O-CG 3.31Å; I658-K662 PolarHBondContact O-N 3.39Å |
| 659 | Q | 61.8 | Low | 60.2 | Low | 136 Ų | 136 | 73.5 Ų | 73.5 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.8 | -46 | 171.1 | -84 | -169.3 | -28.1 | 0 | 0 | 111.7 | D655 R656 A661 K662 V663 | D655-Q659 WeakPolarHBondContact O-CB 3.44Å; D655-Q659 PolarHBondContact O-N 3.04Å; R656-Q659 PolarHBondContact O-N 2.92Å; Q659-A661 VanDerWaalsContact C-N 3.34Å; Q659-A661 PolarHBondContact O-N 3.1Å; Q659-K662 PolarHBondContact O-N 2.86Å; Q659-V663 WeakPolarHBondContact O-CB 3.48Å; Q659-V663 VanDerWaalsContact O-CG2 3.26Å; Q659-V663 WeakPolarHBondContact O-CG2 3.47Å; Q659-V663 PolarHBondContact O-N 3.46Å |
| 660 | M | 56.3 | Low | 59.5 | Low | 126 Ų | 126 | 74.3 Ų | 74.3 | 62% | 0.621 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -66.1 | -37.7 | -179.1 | -167.7 | 169.4 | -174.9 | 0 | 0 | 111.1 | R656 I657 V663 V664 | R656-M660 WeakPolarHBondContact O-CB 3.34Å; R656-M660 PolarHBondContact O-N 2.91Å; I657-M660 PolarHBondContact O-N 3.26Å; M660-V663 PolarHBondContact O-N 2.84Å; M660-V664 VanDerWaalsContact O-CB 3.3Å; M660-V664 WeakPolarHBondContact O-CB 3.32Å; M660-V664 VanDerWaalsContact O-CG2 3.24Å; M660-V664 WeakPolarHBondContact O-CG2 3.49Å; M660-V664 PolarHBondContact O-N 3.31Å |
| 661 | A | 61.6 | Low | 59.2 | Low | 5 Ų | 5 | 73.4 Ų | 73.4 | 4% | 0.041 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.6 | -50.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A549 E553 I657 Q659 V663 V664 R665 | A549-A661 HydrophobicContact CB-CB 3.76Å; E553-A661 HydrophobicContact CG-CB 3.73Å; I657-A661 VanDerWaalsContact O-CB 3.27Å; I657-A661 WeakPolarHBondContact O-CB 3.4Å; I657-A661 PolarHBondContact O-N 3.22Å; Q659-A661 VanDerWaalsContact C-N 3.34Å; Q659-A661 PolarHBondContact O-N 3.1Å; A661-V663 VanDerWaalsContact C-N 3.34Å; A661-V663 PolarHBondContact O-N 2.89Å; A661-V664 PolarHBondContact O-N 2.77Å; A661-R665 VanDerWaalsContact O-CB 3.28Å; A661-R665 WeakPolarHBondContact O-CB 3.32Å; A661-R665 PolarHBondContact O-N 2.86Å |
| 662 | K | 63.6 | Low | 59.2 | Low | 105 Ų | 105 | 73.3 Ų | 73.3 | 46% | 0.457 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 176.3 | -76.2 | -178.6 | 177.3 | 179.7 | 0 | 112.7 | I658 Q659 R665 T666 | I658-K662 WeakPolarHBondContact O-CB 3.3Å; I658-K662 WeakPolarHBondContact O-CG 3.31Å; I658-K662 PolarHBondContact O-N 3.39Å; Q659-K662 PolarHBondContact O-N 2.86Å; K662-R665 PolarHBondContact O-N 2.74Å; K662-T666 WeakPolarHBondContact O-CB 3.36Å; K662-T666 WeakPolarHBondContact O-CG2 3.35Å; K662-T666 PolarHBondContact O-N 3.24Å; K662-T666 PolarHBondContact O-OG1 3.49Å |
| 663 | V | 61.2 | Low | 59.7 | Low | 74 Ų | 74 | 70.6 Ų | 70.6 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.4 | -50.1 | 175 | 163.7 | 0 | 0 | 0 | 0 | 110.7 | Q659 M660 A661 R665 T666 W667 | Q659-V663 WeakPolarHBondContact O-CB 3.48Å; Q659-V663 VanDerWaalsContact O-CG2 3.26Å; Q659-V663 WeakPolarHBondContact O-CG2 3.47Å; Q659-V663 PolarHBondContact O-N 3.46Å; M660-V663 PolarHBondContact O-N 2.84Å; A661-V663 VanDerWaalsContact C-N 3.34Å; A661-V663 PolarHBondContact O-N 2.89Å; V663-R665 VanDerWaalsContact C-N 3.28Å; V663-R665 PolarHBondContact O-N 2.69Å; V663-T666 PolarHBondContact O-N 3.23Å; V663-T666 PolarHBondContact O-OG1 2.73Å; V663-W667 WeakPolarHBondContact O-CA 3.44Å; V663-W667 VanDerWaalsContact O-CB 3.28Å; V663-W667 WeakPolarHBondContact O-CB 3.37Å; V663-W667 PolarHBondContact O-N 2.8Å |
| 664 | V | 62.7 | Low | 60.2 | Low | 46 Ų | 46 | 68.5 Ų | 68.5 | 28% | 0.279 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59 | -40 | 176.1 | 165 | 0 | 0 | 0 | 0 | 111.2 | A545 M660 A661 G668 | A545-V664 HydrophobicContact CB-CG1 3.71Å; M660-V664 VanDerWaalsContact O-CB 3.3Å; M660-V664 WeakPolarHBondContact O-CB 3.32Å; M660-V664 VanDerWaalsContact O-CG2 3.24Å; M660-V664 WeakPolarHBondContact O-CG2 3.49Å; M660-V664 PolarHBondContact O-N 3.31Å; A661-V664 PolarHBondContact O-N 2.77Å; V664-G668 WeakPolarHBondContact O-CA 3.41Å; V664-G668 PolarHBondContact O-N 2.72Å |
| 665 | R | 62.6 | Low | 60.2 | Low | 118 Ų | 118 | 70 Ų | 70 | 45% | 0.445 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.5 | -45.6 | 179.7 | -165.5 | 170.2 | -179.2 | -175.4 | -2 | 112.5 | T546 A661 K662 V663 L669 | T546-R665 HydrophobicContact CG2-CG 4.15Å; A661-R665 VanDerWaalsContact O-CB 3.28Å; A661-R665 WeakPolarHBondContact O-CB 3.32Å; A661-R665 PolarHBondContact O-N 2.86Å; K662-R665 PolarHBondContact O-N 2.74Å; V663-R665 VanDerWaalsContact C-N 3.28Å; V663-R665 PolarHBondContact O-N 2.69Å; R665-L669 WeakPolarHBondContact O-CB 3.29Å; R665-L669 WeakPolarHBondContact O-CD1 3.28Å; R665-L669 WeakPolarHBondContact O-CG 3.49Å; R665-L669 PolarHBondContact O-N 3.34Å; R665-L669 VanDerWaalsContact O-N 3.1Å |
| 666 | T | 60.1 | Low | 60.4 | Low | 84 Ų | 84 | 72.2 Ų | 72.2 | 52% | 0.515 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -75.1 | -51.8 | -179.6 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | K662 V663 G668 L669 A670 | K662-T666 WeakPolarHBondContact O-CB 3.36Å; K662-T666 WeakPolarHBondContact O-CG2 3.35Å; K662-T666 PolarHBondContact O-N 3.24Å; K662-T666 PolarHBondContact O-OG1 3.49Å; V663-T666 PolarHBondContact O-N 3.23Å; V663-T666 PolarHBondContact O-OG1 2.73Å; T666-G668 VanDerWaalsContact C-N 3.34Å; T666-L669 PolarHBondContact O-N 2.68Å; T666-A670 WeakPolarHBondContact O-CB 3.38Å; T666-A670 PolarHBondContact O-N 3.02Å |
| 667 | W | 57.6 | Low | 60.6 | Low | 162 Ų | 162 | 68.4 Ų | 68.4 | 61% | 0.614 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -73.7 | -25.5 | 177.6 | -68.5 | 93.1 | 0 | 0 | 0 | 112.7 | V663 A671 | V663-W667 WeakPolarHBondContact O-CA 3.44Å; V663-W667 VanDerWaalsContact O-CB 3.28Å; V663-W667 WeakPolarHBondContact O-CB 3.37Å; V663-W667 PolarHBondContact O-N 2.8Å; W667-A671 WeakPolarHBondContact O-CB 3.42Å; W667-A671 PolarHBondContact O-N 2.69Å |
| 668 | G | 60.7 | Low | 60.3 | Low | 10 Ų | 10 | 67.6 Ų | 67.6 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.4 | -48.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V664 T666 A670 A671 A672 | V664-G668 WeakPolarHBondContact O-CA 3.41Å; V664-G668 PolarHBondContact O-N 2.72Å; T666-G668 VanDerWaalsContact C-N 3.34Å; G668-A670 VanDerWaalsContact C-N 3.34Å; G668-A670 PolarHBondContact O-N 3.31Å; G668-A671 PolarHBondContact O-N 3.13Å; G668-A672 WeakPolarHBondContact O-CB 3.17Å; G668-A672 PolarHBondContact O-N 3.38Å |
| 669 | L | 60.6 | Low | 60.1 | Low | 116 Ų | 116 | 67 Ų | 67 | 61% | 0.607 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.8 | -42 | 172.8 | -80.1 | 167.5 | 0 | 0 | 0 | 112.1 | R665 T666 A671 A672 A673 | R665-L669 WeakPolarHBondContact O-CB 3.29Å; R665-L669 WeakPolarHBondContact O-CD1 3.28Å; R665-L669 WeakPolarHBondContact O-CG 3.49Å; R665-L669 PolarHBondContact O-N 3.34Å; R665-L669 VanDerWaalsContact O-N 3.1Å; T666-L669 PolarHBondContact O-N 2.68Å; L669-A671 PolarHBondContact O-N 2.77Å; L669-A672 PolarHBondContact O-N 2.86Å; L669-A673 WeakPolarHBondContact O-CB 3.04Å; L669-A673 PolarHBondContact O-N 3.24Å |
| 670 | A | 59.7 | Low | 60.1 | Low | 49 Ų | 49 | 63.7 Ų | 63.7 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T666 G668 L674 | T666-A670 WeakPolarHBondContact O-CB 3.38Å; T666-A670 PolarHBondContact O-N 3.02Å; G668-A670 VanDerWaalsContact C-N 3.34Å; G668-A670 PolarHBondContact O-N 3.31Å; A670-L674 WeakPolarHBondContact O-CB 3.36Å; A670-L674 PolarHBondContact O-N 3.16Å |
| 671 | A | 56.3 | Low | 60.3 | Low | 33 Ų | 33 | 59.8 Ų | 59.8 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -71.3 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I542 W667 G668 L669 L674 L675 | I542-A671 HydrophobicContact CD1-CB 4.44Å; W667-A671 WeakPolarHBondContact O-CB 3.42Å; W667-A671 PolarHBondContact O-N 2.69Å; G668-A671 PolarHBondContact O-N 3.13Å; L669-A671 PolarHBondContact O-N 2.77Å; A671-L674 PolarHBondContact O-N 3.47Å; A671-L675 VanDerWaalsContact O-CB 3.29Å; A671-L675 WeakPolarHBondContact O-CB 3.33Å; A671-L675 WeakPolarHBondContact O-CD1 3.21Å; A671-L675 VanDerWaalsContact O-CG 3.24Å; A671-L675 WeakPolarHBondContact O-CG 3.43Å; A671-L675 PolarHBondContact O-N 3.01Å |
| 672 | A | 61.1 | Low | 59.9 | Low | 17 Ų | 17 | 63.7 Ų | 63.7 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I542 G668 L669 L674 L675 V676 | I542-A672 HydrophobicContact CD1-CB 3.98Å; G668-A672 WeakPolarHBondContact O-CB 3.17Å; G668-A672 PolarHBondContact O-N 3.38Å; L669-A672 PolarHBondContact O-N 2.86Å; A672-L674 VanDerWaalsContact C-N 3.34Å; A672-L674 PolarHBondContact O-N 2.87Å; A672-L675 PolarHBondContact O-N 3.33Å; A672-V676 WeakPolarHBondContact O-CB 3.38Å; A672-V676 WeakPolarHBondContact O-CG2 3.41Å; A672-V676 PolarHBondContact O-N 2.85Å |
| 673 | A | 62 | Low | 59.7 | Low | 63 Ų | 63 | 58.8 Ų | 58.8 | 52% | 0.521 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L669 F677 | L669-A673 WeakPolarHBondContact O-CB 3.04Å; L669-A673 PolarHBondContact O-N 3.24Å; A673-F677 VanDerWaalsContact O-CB 3.26Å; A673-F677 WeakPolarHBondContact O-CB 3.42Å; A673-F677 PolarHBondContact O-N 3.26Å |
| 674 | L | 60 | Low | 59.5 | Low | 36 Ų | 36 | 56.7 Ų | 56.7 | 19% | 0.188 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 174.4 | 176.4 | 63.6 | 0 | 0 | 0 | 111.8 | A670 A671 A672 F677 V678 Y1924 R1925 | A670-L674 WeakPolarHBondContact O-CB 3.36Å; A670-L674 PolarHBondContact O-N 3.16Å; A671-L674 PolarHBondContact O-N 3.47Å; A672-L674 VanDerWaalsContact C-N 3.34Å; A672-L674 PolarHBondContact O-N 2.87Å; L674-F677 PolarHBondContact O-N 3.49Å; L674-V678 HydrophobicContact CD1-CG2 4.27Å; L674-V678 WeakPolarHBondContact O-CB 3.08Å; L674-V678 VanDerWaalsContact O-CG2 3.31Å; L674-V678 WeakPolarHBondContact O-CG2 3.47Å; L674-V678 PolarHBondContact O-N 2.67Å; L674-Y1924 HydrophobicContact CD2-CD1 4.03Å; L674-Y1924 HydrophobicContact CD2-CE1 4.17Å; L674-R1925 HydrophobicContact CD1-CG 3.97Å |
| 675 | L | 57.4 | Low | 59 | Low | 39 Ų | 39 | 57.4 Ų | 57.4 | 20% | 0.204 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.1 | -42.5 | -180 | -75.6 | 163.1 | 0 | 0 | 0 | 111.6 | F538 A671 A672 F677 V678 A679 | F538-L675 HydrophobicContact CB-CD1 3.5Å; F538-L675 VanDerWaalsContact CB-CD1 3.5Å; F538-L675 HydrophobicContact CD1-CD1 3.7Å; F538-L675 HydrophobicContact CD2-CD1 3.49Å; F538-L675 VanDerWaalsContact CD2-CD1 3.49Å; F538-L675 HydrophobicContact CD2-CD2 4.22Å; F538-L675 HydrophobicContact CE1-CD1 4.26Å; F538-L675 HydrophobicContact CE2-CD1 4.08Å; F538-L675 HydrophobicContact CE2-CD2 4.33Å; F538-L675 HydrophobicContact CG-CD1 3.28Å; F538-L675 HydrophobicContact CZ-CD1 4.43Å; A671-L675 VanDerWaalsContact O-CB 3.29Å; A671-L675 WeakPolarHBondContact O-CB 3.33Å; A671-L675 WeakPolarHBondContact O-CD1 3.21Å; A671-L675 VanDerWaalsContact O-CG 3.24Å; A671-L675 WeakPolarHBondContact O-CG 3.43Å; A671-L675 PolarHBondContact O-N 3.01Å; A672-L675 PolarHBondContact O-N 3.33Å; L675-F677 VanDerWaalsContact C-N 3.31Å; L675-F677 PolarHBondContact O-N 3.22Å; L675-V678 PolarHBondContact O-N 3.06Å; L675-A679 WeakPolarHBondContact O-CB 3.3Å; L675-A679 PolarHBondContact O-N 3.22Å |
| 676 | V | 61.5 | Low | 58.5 | Low | 74 Ų | 74 | 53.2 Ų | 53.2 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 171.2 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | A672 A679 I680 | A672-V676 WeakPolarHBondContact O-CB 3.38Å; A672-V676 WeakPolarHBondContact O-CG2 3.41Å; A672-V676 PolarHBondContact O-N 2.85Å; V676-A679 WeakPolarHBondContact O-CB 3.49Å; V676-A679 PolarHBondContact O-N 2.9Å; V676-I680 HydrophobicContact CG1-CD1 3.81Å; V676-I680 HydrophobicContact CG1-CG1 4.47Å; V676-I680 WeakPolarHBondContact O-CB 3.13Å; V676-I680 WeakPolarHBondContact O-CD1 3.36Å; V676-I680 WeakPolarHBondContact O-CG1 3.43Å; V676-I680 PolarHBondContact O-N 2.95Å |
| 677 | F | 61.7 | Low | 58.4 | Low | 61 Ų | 61 | 49.8 Ų | 49.8 | 27% | 0.268 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 175.8 | -170.9 | -85 | 0 | 0 | 0 | 112.9 | A673 L674 L675 A679 I680 F681 T1926 R1927 | A673-F677 VanDerWaalsContact O-CB 3.26Å; A673-F677 WeakPolarHBondContact O-CB 3.42Å; A673-F677 PolarHBondContact O-N 3.26Å; L674-F677 PolarHBondContact O-N 3.49Å; L675-F677 VanDerWaalsContact C-N 3.31Å; L675-F677 PolarHBondContact O-N 3.22Å; F677-A679 VanDerWaalsContact C-N 3.3Å; F677-A679 PolarHBondContact O-N 3.2Å; F677-I680 PolarHBondContact O-N 2.92Å; F677-F681 HydrophobicContact CE1-CB 4.33Å; F677-F681 WeakPolarHBondContact O-CB 3.37Å; F677-F681 PolarHBondContact O-N 3.4Å; F677-T1926 HydrophobicContact CD1-CG2 3.69Å; F677-T1926 HydrophobicContact CE1-CG2 3.69Å; F677-R1927 HydrophobicContact CE1-CG 3.83Å; F677-R1927 HydrophobicContact CZ-CG 3.71Å; F677-R1927 VanDerWaalsContact CZ-NE 3.28Å |
| 678 | V | 55.6 | Low | 58 | Low | 47 Ų | 47 | 45.6 Ų | 45.6 | 29% | 0.285 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 175.1 | 168 | 0 | 0 | 0 | 0 | 110.6 | L674 L675 F681 L682 T1926 | L674-V678 HydrophobicContact CD1-CG2 4.27Å; L674-V678 WeakPolarHBondContact O-CB 3.08Å; L674-V678 VanDerWaalsContact O-CG2 3.31Å; L674-V678 WeakPolarHBondContact O-CG2 3.47Å; L674-V678 PolarHBondContact O-N 2.67Å; L675-V678 PolarHBondContact O-N 3.06Å; V678-F681 PolarHBondContact O-N 3.24Å; V678-L682 HydrophobicContact CG1-CD1 3.79Å; V678-L682 HydrophobicContact CG1-CG 4.25Å; V678-L682 WeakPolarHBondContact O-CB 3.45Å; V678-L682 WeakPolarHBondContact O-CG 3.48Å; V678-L682 PolarHBondContact O-N 2.66Å; V678-T1926 HydrophobicContact CG2-CG2 4.31Å |
| 679 | A | 58.4 | Low | 57.4 | Low | 6 Ų | 6 | 49.9 Ų | 49.9 | 5% | 0.05 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.7 | -51.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T531 L675 V676 F677 F681 L682 I683 | T531-A679 HydrophobicContact CG2-CB 3.16Å; L675-A679 WeakPolarHBondContact O-CB 3.3Å; L675-A679 PolarHBondContact O-N 3.22Å; V676-A679 WeakPolarHBondContact O-CB 3.49Å; V676-A679 PolarHBondContact O-N 2.9Å; F677-A679 VanDerWaalsContact C-N 3.3Å; F677-A679 PolarHBondContact O-N 3.2Å; A679-F681 VanDerWaalsContact C-N 3.28Å; A679-F681 PolarHBondContact O-N 3.08Å; A679-L682 PolarHBondContact O-N 2.86Å; A679-I683 WeakPolarHBondContact O-CB 3.11Å; A679-I683 VanDerWaalsContact O-CG1 3.3Å; A679-I683 WeakPolarHBondContact O-CG1 3.17Å; A679-I683 PolarHBondContact O-N 2.8Å |
| 680 | I | 62.4 | Low | 56.8 | Low | 66 Ų | 66 | 45 Ų | 45 | 34% | 0.338 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.6 | -45.1 | 174.4 | -68.7 | 162.2 | 0 | 0 | 0 | 110.3 | V676 F677 S684 I777 | V676-I680 HydrophobicContact CG1-CD1 3.81Å; V676-I680 HydrophobicContact CG1-CG1 4.47Å; V676-I680 WeakPolarHBondContact O-CB 3.13Å; V676-I680 WeakPolarHBondContact O-CD1 3.36Å; V676-I680 WeakPolarHBondContact O-CG1 3.43Å; V676-I680 PolarHBondContact O-N 2.95Å; F677-I680 PolarHBondContact O-N 2.92Å; I680-S684 WeakPolarHBondContact O-CB 3.41Å; I680-S684 PolarHBondContact O-N 3.13Å; I680-I777 HydrophobicContact CG1-CD1 3.6Å; I680-I777 HydrophobicContact CG1-CG1 3.89Å |
| 681 | F | 59.5 | Low | 56.4 | Low | 45 Ų | 45 | 45.1 Ų | 45.1 | 20% | 0.197 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.6 | -43.5 | -177 | -173.7 | -113.9 | 0 | 0 | 0 | 113.3 | F677 V678 A679 N685 R1927 | F677-F681 HydrophobicContact CE1-CB 4.33Å; F677-F681 WeakPolarHBondContact O-CB 3.37Å; F677-F681 PolarHBondContact O-N 3.4Å; V678-F681 PolarHBondContact O-N 3.24Å; A679-F681 VanDerWaalsContact C-N 3.28Å; A679-F681 PolarHBondContact O-N 3.08Å; F681-N685 WeakPolarHBondContact CE1-ND2 3.48Å; F681-N685 WeakPolarHBondContact CZ-ND2 3.37Å; F681-N685 PolarHBondContact O-N 3.23Å; F681-N685 PolarHBondContact O-ND2 3.11Å; F681-R1927 VanDerWaalsContact CE2-C 3.41Å; F681-R1927 VanDerWaalsContact CE2-CA 3.46Å; F681-R1927 VanDerWaalsContact CZ-C 3.46Å; F681-R1927 VanDerWaalsContact CZ-CA 3.47Å; F681-R1927 WeakPolarHBondContact CZ-O 3.41Å |
| 682 | L | 53.9 | Low | 56 | Low | 86 Ų | 86 | 49.2 Ų | 49.2 | 45% | 0.45 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.1 | -52.6 | 177.1 | -72.9 | 172.2 | 0 | 0 | 0 | 111 | V678 A679 S684 N685 T686 | V678-L682 HydrophobicContact CG1-CD1 3.79Å; V678-L682 HydrophobicContact CG1-CG 4.25Å; V678-L682 WeakPolarHBondContact O-CB 3.45Å; V678-L682 WeakPolarHBondContact O-CG 3.48Å; V678-L682 PolarHBondContact O-N 2.66Å; A679-L682 PolarHBondContact O-N 2.86Å; L682-S684 VanDerWaalsContact C-N 3.33Å; L682-S684 PolarHBondContact O-N 2.92Å; L682-N685 PolarHBondContact O-N 3.31Å; L682-T686 PolarHBondContact O-N 3.35Å; L682-T686 PolarHBondContact O-OG1 2.77Å |
| 683 | I | 59.6 | Low | 55.3 | Low | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 179.8 | -63.4 | 169.2 | 0 | 0 | 0 | 110.8 | V528 T531 A679 N685 T686 I687 I777 | V528-I683 HydrophobicContact CB-CD1 4.41Å; V528-I683 HydrophobicContact CG1-CD1 4.37Å; V528-I683 HydrophobicContact CG2-CB 4.37Å; V528-I683 HydrophobicContact CG2-CD1 4.05Å; V528-I683 HydrophobicContact CG2-CG1 3.85Å; V528-I683 HydrophobicContact CG2-CG2 3.68Å; T531-I683 HydrophobicContact CG2-CD1 3.71Å; T531-I683 HydrophobicContact CG2-CG1 4.07Å; A679-I683 WeakPolarHBondContact O-CB 3.11Å; A679-I683 VanDerWaalsContact O-CG1 3.3Å; A679-I683 WeakPolarHBondContact O-CG1 3.17Å; A679-I683 PolarHBondContact O-N 2.8Å; I683-N685 VanDerWaalsContact C-N 3.34Å; I683-N685 PolarHBondContact O-N 2.72Å; I683-T686 PolarHBondContact O-N 2.6Å; I683-I687 HydrophobicContact CG2-CD1 3.71Å; I683-I687 HydrophobicContact CG2-CG1 4.33Å; I683-I687 WeakPolarHBondContact O-CG1 3.21Å; I683-I687 PolarHBondContact O-N 3.27Å; I683-I777 HydrophobicContact CB-CG2 3.76Å; I683-I777 HydrophobicContact CD1-CD1 4.46Å; I683-I777 HydrophobicContact CD1-CG2 4.21Å; I683-I777 HydrophobicContact CG2-CG2 3.54Å |
| 684 | S | 55.8 | Low | 55.1 | Low | 29 Ų | 29 | 51.6 Ų | 51.6 | 20% | 0.203 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 176.2 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | I680 L682 I687 R688 | I680-S684 WeakPolarHBondContact O-CB 3.41Å; I680-S684 PolarHBondContact O-N 3.13Å; L682-S684 VanDerWaalsContact C-N 3.33Å; L682-S684 PolarHBondContact O-N 2.92Å; S684-I687 PolarHBondContact O-N 2.59Å; S684-R688 WeakPolarHBondContact O-CB 3.35Å; S684-R688 PolarHBondContact O-N 3.49Å |
| 685 | N | 53 | Low | 54.6 | Low | 61 Ų | 61 | 56.5 Ų | 56.5 | 33% | 0.326 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 176.5 | -77.4 | -20.5 | 0 | 0 | 0 | 112.2 | F681 L682 I683 I687 R688 I689 | F681-N685 WeakPolarHBondContact CE1-ND2 3.48Å; F681-N685 WeakPolarHBondContact CZ-ND2 3.37Å; F681-N685 PolarHBondContact O-N 3.23Å; F681-N685 PolarHBondContact O-ND2 3.11Å; L682-N685 PolarHBondContact O-N 3.31Å; I683-N685 VanDerWaalsContact C-N 3.34Å; I683-N685 PolarHBondContact O-N 2.72Å; N685-I687 PolarHBondContact O-N 3.36Å; N685-R688 WeakPolarHBondContact O-CB 3.44Å; N685-R688 PolarHBondContact O-N 3.24Å; N685-R688 VanDerWaalsContact O-N 3.17Å; N685-I689 WeakPolarHBondContact O-CG1 3.47Å; N685-I689 PolarHBondContact O-N 2.68Å |
| 686 | T | 51.7 | Low | 53.9 | Low | 30 Ų | 30 | 59 Ų | 59 | 18% | 0.184 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.7 | -38.3 | 179.3 | -40.1 | 0 | 0 | 0 | 0 | 112 | A527 L682 I683 T690 | A527-T686 HydrophobicContact CB-CG2 4.34Å; L682-T686 PolarHBondContact O-N 3.35Å; L682-T686 PolarHBondContact O-OG1 2.77Å; I683-T686 PolarHBondContact O-N 2.6Å; T686-T690 PolarHBondContact O-N 2.86Å; T686-T690 PolarHBondContact O-OG1 3.5Å |
| 687 | I | 57 | Low | 53.3 | Low | 13 Ų | 13 | 57.9 Ų | 57.9 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 171.2 | -66.6 | 171.1 | 0 | 0 | 0 | 110.7 | I683 S684 N685 I689 T690 I691 A781 | I683-I687 HydrophobicContact CG2-CD1 3.71Å; I683-I687 HydrophobicContact CG2-CG1 4.33Å; I683-I687 WeakPolarHBondContact O-CG1 3.21Å; I683-I687 PolarHBondContact O-N 3.27Å; S684-I687 PolarHBondContact O-N 2.59Å; N685-I687 PolarHBondContact O-N 3.36Å; I687-I689 PolarHBondContact O-N 2.76Å; I687-T690 CarbonylContact O-C 3.07Å; I687-T690 WeakPolarHBondContact O-CA 3.45Å; I687-T690 WeakPolarHBondContact O-CB 3.46Å; I687-T690 PolarHBondContact O-N 2.75Å; I687-I691 HydrophobicContact CG2-CD1 3.76Å; I687-I691 HydrophobicContact CG2-CG1 4.22Å; I687-I691 WeakPolarHBondContact O-CG1 3.37Å; I687-I691 PolarHBondContact O-N 3.22Å; I687-A781 HydrophobicContact CB-CB 4.24Å; I687-A781 HydrophobicContact CD1-CB 3.96Å; I687-A781 HydrophobicContact CG2-CB 3.86Å |
| 688 | R | 50.3 | Low | 52.8 | Low | 74 Ų | 74 | 57.1 Ų | 57.1 | 28% | 0.279 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 179.6 | -155.2 | 176.5 | -157.9 | -167.9 | 5.5 | 112 | S684 N685 T690 I691 I692 E785 N1929 | S684-R688 WeakPolarHBondContact O-CB 3.35Å; S684-R688 PolarHBondContact O-N 3.49Å; N685-R688 WeakPolarHBondContact O-CB 3.44Å; N685-R688 PolarHBondContact O-N 3.24Å; N685-R688 VanDerWaalsContact O-N 3.17Å; R688-T690 VanDerWaalsContact C-N 3.29Å; R688-T690 PolarHBondContact O-N 3.45Å; R688-I691 PolarHBondContact O-N 3.41Å; R688-I692 HydrophobicContact CG-CD1 4.25Å; R688-I692 WeakPolarHBondContact O-CB 3.38Å; R688-I692 WeakPolarHBondContact O-CD1 3.36Å; R688-I692 VanDerWaalsContact O-CG1 3.24Å; R688-I692 WeakPolarHBondContact O-CG1 3.3Å; R688-I692 PolarHBondContact O-N 3.19Å; R688-E785 IonicContact CZ-OE1 2.67Å; R688-E785 IonicContact NE-OE1 3.83Å; R688-E785 PolarHBondContact NE-OE1 3Å; R688-E785 VanDerWaalsContact NE-OE1 3.1Å; R688-E785 IonicContact NH2-OE1 3.69Å; R688-E785 PolarHBondContact NH2-OE1 3.42Å; R688-N1929 VanDerWaalsContact CZ-O 3.3Å; R688-N1929 PolarHBondContact NH1-O 3.45Å; R688-N1929 PolarHBondContact NH2-O 3.17Å |
| 689 | I | 48.1 | Very low | 52.3 | Low | 100 Ų | 100 | 59.7 Ų | 59.7 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 174 | -59.3 | 162.1 | 0 | 0 | 0 | 110.8 | M520 N685 I687 I692 S693 | M520-I689 HydrophobicContact CE-CB 4.08Å; M520-I689 HydrophobicContact CE-CG2 3.57Å; N685-I689 WeakPolarHBondContact O-CG1 3.47Å; N685-I689 PolarHBondContact O-N 2.68Å; I687-I689 PolarHBondContact O-N 2.76Å; I689-I692 PolarHBondContact O-N 3.34Å; I689-S693 PolarHBondContact O-N 2.97Å |
| 690 | T | 47.7 | Very low | 51.6 | Low | 14 Ų | 14 | 64.1 Ų | 64.1 | 9% | 0.086 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.4 | -26.3 | 178.3 | -54.4 | 0 | 0 | 0 | 0 | 113.4 | M520 S524 T686 I687 R688 S693 | M520-T690 WeakPolarHBondContact CE-OG1 3.46Å; S524-T690 PolarHBondContact OG-OG1 3.35Å; T686-T690 PolarHBondContact O-N 2.86Å; T686-T690 PolarHBondContact O-OG1 3.5Å; I687-T690 CarbonylContact O-C 3.07Å; I687-T690 WeakPolarHBondContact O-CA 3.45Å; I687-T690 WeakPolarHBondContact O-CB 3.46Å; I687-T690 PolarHBondContact O-N 2.75Å; R688-T690 VanDerWaalsContact C-N 3.29Å; R688-T690 PolarHBondContact O-N 3.45Å; T690-S693 PolarHBondContact O-OG 3.4Å; T690-S693 VanDerWaalsContact O-OG 3.06Å |
| 691 | I | 51.2 | Low | 51.1 | Low | 50 Ų | 50 | 63.8 Ų | 63.8 | 26% | 0.256 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -79.4 | -42.4 | 172 | -67.8 | 171.7 | 0 | 0 | 0 | 110.7 | I687 R688 S693 R694 | I687-I691 HydrophobicContact CG2-CD1 3.76Å; I687-I691 HydrophobicContact CG2-CG1 4.22Å; I687-I691 WeakPolarHBondContact O-CG1 3.37Å; I687-I691 PolarHBondContact O-N 3.22Å; R688-I691 PolarHBondContact O-N 3.41Å; I691-S693 VanDerWaalsContact C-N 3.26Å; I691-S693 PolarHBondContact O-N 3.45Å; I691-R694 PolarHBondContact O-N 2.87Å |
| 692 | I | 48.3 | Very low | 50.4 | Low | 119 Ų | 119 | 67.3 Ų | 67.3 | 61% | 0.61 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -57.4 | -39.8 | 178.3 | -73 | 164.1 | 0 | 0 | 0 | 111.1 | R688 I689 R694 K695 | R688-I692 HydrophobicContact CG-CD1 4.25Å; R688-I692 WeakPolarHBondContact O-CB 3.38Å; R688-I692 WeakPolarHBondContact O-CD1 3.36Å; R688-I692 VanDerWaalsContact O-CG1 3.24Å; R688-I692 WeakPolarHBondContact O-CG1 3.3Å; R688-I692 PolarHBondContact O-N 3.19Å; I689-I692 PolarHBondContact O-N 3.34Å; I692-R694 PolarHBondContact O-N 3.48Å; I692-R694 VanDerWaalsContact O-N 3.14Å; I692-K695 PolarHBondContact O-N 3.3Å |
| 693 | S | 47.4 | Very low | 49.7 | Very low | 80 Ų | 80 | 70.4 Ų | 70.4 | 56% | 0.559 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -5.7 | 177.1 | 65.9 | 0 | 0 | 0 | 0 | 115 | I689 T690 I691 | I689-S693 PolarHBondContact O-N 2.97Å; T690-S693 PolarHBondContact O-OG 3.4Å; T690-S693 VanDerWaalsContact O-OG 3.06Å; I691-S693 VanDerWaalsContact C-N 3.26Å; I691-S693 PolarHBondContact O-N 3.45Å |
| 694 | R | 56.4 | Low | 49 | Very low | 50 Ų | 50 | 76.1 Ų | 76.1 | 19% | 0.189 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 15.1 | -179.2 | -60.6 | -179.2 | 70.4 | -176.1 | -7.9 | 113.5 | I691 I692 T696 E697 I698 F715 E718 | I691-R694 PolarHBondContact O-N 2.87Å; I692-R694 PolarHBondContact O-N 3.48Å; I692-R694 VanDerWaalsContact O-N 3.14Å; R694-T696 PolarHBondContact O-N 2.85Å; R694-E697 IonicContact CZ-OE2 3.35Å; R694-E697 IonicContact NE-OE1 3.51Å; R694-E697 IonicContact NE-OE2 3.61Å; R694-E697 PolarHBondContact NE-OE2 2.85Å; R694-E697 IonicContact NH2-OE1 2.96Å; R694-E697 IonicContact NH2-OE2 2.86Å; R694-E697 PolarHBondContact NH2-OE2 2.71Å; R694-E697 PolarHBondContact O-N 2.89Å; R694-E697 VanDerWaalsContact O-N 3.1Å; R694-I698 PolarHBondContact O-N 3.44Å; R694-F715 HydrophobicContact CB-CE1 4.38Å; R694-E718 IonicContact CZ-OE2 2.7Å; R694-E718 IonicContact NH1-OE1 2.69Å; R694-E718 PolarHBondContact NH1-OE1 3.49Å; R694-E718 IonicContact NH1-OE2 2.75Å; R694-E718 PolarHBondContact NH1-OE2 2.78Å; R694-E718 IonicContact NH2-OE2 2.98Å |
| 695 | K | 50.3 | Low | 48.1 | Very low | 139 Ų | 139 | 77.7 Ų | 77.7 | 60% | 0.604 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -51.8 | -39 | 177.5 | -172.4 | 178.5 | 178.9 | -177.8 | 0 | 112.9 | I692 I698 Q699 | I692-K695 PolarHBondContact O-N 3.3Å; K695-I698 WeakPolarHBondContact O-CB 3.42Å; K695-I698 PolarHBondContact O-N 2.76Å; K695-Q699 PolarHBondContact O-N 3.04Å; K695-Q699 VanDerWaalsContact O-N 3.12Å |
| 696 | T | 43.1 | Very low | 47.9 | Very low | 92 Ų | 92 | 76.2 Ų | 76.2 | 56% | 0.564 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -65 | -39 | 179.9 | -33.6 | 0 | 0 | 0 | 0 | 112.8 | R694 I698 Q699 I700 | R694-T696 PolarHBondContact O-N 2.85Å; T696-I698 VanDerWaalsContact C-N 3.3Å; T696-I698 PolarHBondContact O-N 3.49Å; T696-Q699 PolarHBondContact O-N 3.43Å; T696-I700 HydrophobicContact CG2-CD1 4.24Å; T696-I700 WeakPolarHBondContact O-CG1 3.23Å; T696-I700 PolarHBondContact O-N 2.85Å |
| 697 | E | 47.7 | Very low | 48.1 | Very low | 51 Ų | 51 | 83 Ų | 83 | 24% | 0.238 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 176.2 | -64.4 | 177.8 | -175.6 | 0 | 0 | 110.7 | R516 R694 Q699 I700 M701 | R516-E697 IonicContact CZ-OE1 2.72Å; R516-E697 IonicContact NE-OE1 3.61Å; R516-E697 PolarHBondContact NE-OE1 3.18Å; R516-E697 IonicContact NH2-OE1 3.42Å; R516-E697 PolarHBondContact NH2-OE1 2.9Å; R516-E697 IonicContact NH2-OE2 2.86Å; R694-E697 IonicContact CZ-OE2 3.35Å; R694-E697 IonicContact NE-OE1 3.51Å; R694-E697 IonicContact NE-OE2 3.61Å; R694-E697 PolarHBondContact NE-OE2 2.85Å; R694-E697 IonicContact NH2-OE1 2.96Å; R694-E697 IonicContact NH2-OE2 2.86Å; R694-E697 PolarHBondContact NH2-OE2 2.71Å; R694-E697 PolarHBondContact O-N 2.89Å; R694-E697 VanDerWaalsContact O-N 3.1Å; E697-Q699 VanDerWaalsContact C-N 3.33Å; E697-Q699 PolarHBondContact O-N 2.86Å; E697-I700 PolarHBondContact O-N 3.29Å; E697-M701 VanDerWaalsContact O-CG 3.3Å; E697-M701 WeakPolarHBondContact O-CG 3.34Å; E697-M701 PolarHBondContact O-N 3.07Å |
| 698 | I | 52.2 | Low | 47.6 | Very low | 45 Ų | 45 | 86 Ų | 86 | 23% | 0.231 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 177 | -62.3 | 171.1 | 0 | 0 | 0 | 111 | R694 K695 T696 R702 I711 F715 | R694-I698 PolarHBondContact O-N 3.44Å; K695-I698 WeakPolarHBondContact O-CB 3.42Å; K695-I698 PolarHBondContact O-N 2.76Å; T696-I698 VanDerWaalsContact C-N 3.3Å; T696-I698 PolarHBondContact O-N 3.49Å; I698-R702 WeakPolarHBondContact O-CG 3.22Å; I698-R702 PolarHBondContact O-N 3.03Å; I698-R702 VanDerWaalsContact O-N 3.11Å; I698-I711 HydrophobicContact CG2-CG2 4.17Å; I698-F715 HydrophobicContact CD1-CE2 4.46Å; I698-F715 HydrophobicContact CD1-CZ 4.44Å; I698-F715 HydrophobicContact CG1-CE2 3.9Å; I698-F715 HydrophobicContact CG1-CZ 3.87Å |
| 699 | Q | 45.2 | Very low | 47.8 | Very low | 101 Ų | 101 | 84.9 Ų | 84.9 | 47% | 0.472 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.6 | -43.2 | 175.4 | -69.1 | 174.7 | -69.8 | 0 | 0 | 112.1 | K695 T696 E697 R702 L703 | K695-Q699 PolarHBondContact O-N 3.04Å; K695-Q699 VanDerWaalsContact O-N 3.12Å; T696-Q699 PolarHBondContact O-N 3.43Å; E697-Q699 VanDerWaalsContact C-N 3.33Å; E697-Q699 PolarHBondContact O-N 2.86Å; Q699-R702 PolarHBondContact O-N 3.48Å; Q699-L703 PolarHBondContact O-N 3.17Å |
| 700 | I | 42.6 | Very low | 48.4 | Very low | 98 Ų | 98 | 88.9 Ų | 88.9 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 176.7 | -67 | 164.3 | 0 | 0 | 0 | 110.7 | T696 E697 R702 L703 V704 | T696-I700 HydrophobicContact CG2-CD1 4.24Å; T696-I700 WeakPolarHBondContact O-CG1 3.23Å; T696-I700 PolarHBondContact O-N 2.85Å; E697-I700 PolarHBondContact O-N 3.29Å; I700-R702 VanDerWaalsContact C-N 3.3Å; I700-R702 PolarHBondContact O-N 3.18Å; I700-L703 WeakPolarHBondContact O-CB 3.32Å; I700-L703 PolarHBondContact O-N 3.43Å; I700-L703 VanDerWaalsContact O-N 3.1Å; I700-V704 WeakPolarHBondContact O-CG2 3.22Å; I700-V704 PolarHBondContact O-N 3.26Å; I700-V704 VanDerWaalsContact O-N 3.14Å |
| 701 | M | 51.6 | Low | 48.8 | Very low | 60 Ų | 60 | 88.6 Ų | 88.6 | 30% | 0.296 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.3 | -34.2 | 176.6 | -67.3 | -178.9 | 86.1 | 0 | 0 | 112.5 | E697 A706 I711 | E697-M701 VanDerWaalsContact O-CG 3.3Å; E697-M701 WeakPolarHBondContact O-CG 3.34Å; E697-M701 PolarHBondContact O-N 3.07Å; M701-A706 HydrophobicContact CB-CB 4.39Å; M701-A706 WeakPolarHBondContact O-CB 3.17Å; M701-A706 PolarHBondContact O-N 3.5Å; M701-A706 VanDerWaalsContact O-N 3.1Å; M701-I711 HydrophobicContact CB-CD1 3.79Å; M701-I711 HydrophobicContact CB-CG1 3.88Å; M701-I711 HydrophobicContact CB-CG2 4.35Å; M701-I711 HydrophobicContact SD-CG2 4.34Å |
| 702 | R | 44.4 | Very low | 48.7 | Very low | 118 Ų | 118 | 90.7 Ų | 90.7 | 45% | 0.445 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 170.8 | -78.6 | -176 | 172.5 | -161.4 | -5.6 | 111.6 | I698 Q699 I700 V704 G705 I711 E1933 | I698-R702 WeakPolarHBondContact O-CG 3.22Å; I698-R702 PolarHBondContact O-N 3.03Å; I698-R702 VanDerWaalsContact O-N 3.11Å; Q699-R702 PolarHBondContact O-N 3.48Å; I700-R702 VanDerWaalsContact C-N 3.3Å; I700-R702 PolarHBondContact O-N 3.18Å; R702-V704 PolarHBondContact O-N 3.01Å; R702-G705 PolarHBondContact O-N 3.45Å; R702-I711 HydrophobicContact CB-CD1 4.27Å; R702-I711 HydrophobicContact CG-CD1 3.53Å; R702-E1933 IonicContact CZ-OE1 3.7Å; R702-E1933 VanDerWaalsContact CZ-OE1 3.28Å; R702-E1933 IonicContact NH1-OE1 3.83Å; R702-E1933 PolarHBondContact NH1-OE1 2.67Å; R702-E1933 IonicContact NH2-OE1 2.97Å; R702-E1933 PolarHBondContact NH2-OE1 3.48Å |
| 703 | L | 40.1 | Very low | 49.3 | Very low | 152 Ų | 152 | 92.4 Ų | 92.4 | 80% | 0.796 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.9 | -37.1 | 178.7 | -85.1 | 159.6 | 0 | 0 | 0 | 113.6 | Q699 I700 G705 | Q699-L703 PolarHBondContact O-N 3.17Å; I700-L703 WeakPolarHBondContact O-CB 3.32Å; I700-L703 PolarHBondContact O-N 3.43Å; I700-L703 VanDerWaalsContact O-N 3.1Å; L703-G705 PolarHBondContact O-N 2.93Å |
| 704 | V | 44.5 | Very low | 49.9 | Very low | 123 Ų | 123 | 91.4 Ų | 91.4 | 75% | 0.745 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 16.4 | 172.8 | -115.9 | 0 | 0 | 0 | 0 | 113.7 | I700 R702 A706 | I700-V704 WeakPolarHBondContact O-CG2 3.22Å; I700-V704 PolarHBondContact O-N 3.26Å; I700-V704 VanDerWaalsContact O-N 3.14Å; R702-V704 PolarHBondContact O-N 3.01Å; V704-A706 VanDerWaalsContact C-N 3.3Å; V704-A706 PolarHBondContact O-N 3.19Å |
| 705 | G | 38.4 | Very low | 50 | Low | 61 Ų | 61 | 90.1 Ų | 90.1 | 63% | 0.629 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 15.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R702 L703 K707 | R702-G705 PolarHBondContact O-N 3.45Å; L703-G705 PolarHBondContact O-N 2.93Å; G705-K707 PolarHBondContact O-N 3.33Å |
| 706 | A | 46.8 | Very low | 50.6 | Low | 31 Ų | 31 | 86.4 Ų | 86.4 | 26% | 0.256 | 44% | 0.443 | S | S | . | . | trans | -64.7 | 121.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | M701 V704 I711 | M701-A706 HydrophobicContact CB-CB 4.39Å; M701-A706 WeakPolarHBondContact O-CB 3.17Å; M701-A706 PolarHBondContact O-N 3.5Å; M701-A706 VanDerWaalsContact O-N 3.1Å; V704-A706 VanDerWaalsContact C-N 3.3Å; V704-A706 PolarHBondContact O-N 3.19Å; A706-I711 HydrophobicContact CB-CD1 4.13Å; A706-I711 HydrophobicContact CB-CG1 3.72Å; A706-I711 VanDerWaalsContact O-CD1 3.25Å; A706-I711 WeakPolarHBondContact O-CD1 3.15Å; A706-I711 WeakPolarHBondContact O-CG1 3.05Å | ||
| 707 | K | 55.9 | Low | 51.8 | Low | 172 Ų | 172 | 84.8 Ų | 84.8 | 75% | 0.748 | 43% | 0.431 | S | S | * | . | trans | -54.6 | 143.6 | -179.1 | -68.5 | -178.5 | 177.8 | 177.9 | 0 | 110.8 | G705 G709 Y710 I711 | G705-K707 PolarHBondContact O-N 3.33Å; K707-G709 PolarHBondContact O-N 3.11Å; K707-Y710 WeakPolarHBondContact O-CA 3.16Å; K707-Y710 WeakPolarHBondContact O-CB 3.47Å; K707-Y710 PolarHBondContact O-N 3.35Å; K707-I711 PolarHBondContact O-N 3.13Å; K707-I711 VanDerWaalsContact O-N 3.1Å | ||
| 708 | N | 47.2 | Very low | 52.4 | Low | 77 Ų | 77 | 85.1 Ų | 85.1 | 41% | 0.412 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -47.1 | -37.1 | -178.4 | -114.6 | -31.5 | 0 | 0 | 0 | 113.3 | R712 | N708-R712 VanDerWaalsContact O-CB 3.3Å; N708-R712 WeakPolarHBondContact O-CB 2.93Å; N708-R712 WeakPolarHBondContact O-CD 3.34Å; N708-R712 WeakPolarHBondContact O-CG 3.04Å; N708-R712 PolarHBondContact O-N 2.79Å |
| 709 | G | 54 | Low | 53.1 | Low | 50 Ų | 50 | 83.3 Ų | 83.3 | 52% | 0.515 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K707 R712 W713 | K707-G709 PolarHBondContact O-N 3.11Å; G709-R712 PolarHBondContact O-N 2.83Å; G709-R712 VanDerWaalsContact O-N 3.16Å; G709-W713 PolarHBondContact O-N 3.48Å |
| 710 | Y | 62.1 | Low | 54.5 | Low | 184 Ų | 184 | 78.5 Ų | 78.5 | 72% | 0.722 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.7 | -36.1 | 178 | -127.2 | -84.3 | 0 | 0 | 0 | 111.9 | K707 P714 | K707-Y710 WeakPolarHBondContact O-CA 3.16Å; K707-Y710 WeakPolarHBondContact O-CB 3.47Å; K707-Y710 PolarHBondContact O-N 3.35Å; Y710-P714 WeakPolarHBondContact O-CD 3.31Å |
| 711 | I | 55.3 | Low | 56.1 | Low | 7 Ų | 7 | 81.4 Ų | 81.4 | 4% | 0.036 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -69.8 | -37.8 | 170.2 | -53 | -175 | 0 | 0 | 0 | 110.6 | I698 M701 R702 A706 K707 F715 | I698-I711 HydrophobicContact CG2-CG2 4.17Å; M701-I711 HydrophobicContact CB-CD1 3.79Å; M701-I711 HydrophobicContact CB-CG1 3.88Å; M701-I711 HydrophobicContact CB-CG2 4.35Å; M701-I711 HydrophobicContact SD-CG2 4.34Å; R702-I711 HydrophobicContact CB-CD1 4.27Å; R702-I711 HydrophobicContact CG-CD1 3.53Å; A706-I711 HydrophobicContact CB-CD1 4.13Å; A706-I711 HydrophobicContact CB-CG1 3.72Å; A706-I711 VanDerWaalsContact O-CD1 3.25Å; A706-I711 WeakPolarHBondContact O-CD1 3.15Å; A706-I711 WeakPolarHBondContact O-CG1 3.05Å; K707-I711 PolarHBondContact O-N 3.13Å; K707-I711 VanDerWaalsContact O-N 3.1Å; I711-F715 HydrophobicContact CG2-CE2 4.39Å; I711-F715 WeakPolarHBondContact O-CD2 3.06Å |
| 712 | R | 49.4 | Very low | 57 | Low | 94 Ų | 94 | 79 Ų | 79 | 36% | 0.355 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.9 | -37.7 | -176.9 | -78.5 | 167.5 | -172.7 | -120.9 | 3.4 | 113.4 | N708 G709 F716 K782 D786 | N708-R712 VanDerWaalsContact O-CB 3.3Å; N708-R712 WeakPolarHBondContact O-CB 2.93Å; N708-R712 WeakPolarHBondContact O-CD 3.34Å; N708-R712 WeakPolarHBondContact O-CG 3.04Å; N708-R712 PolarHBondContact O-N 2.79Å; G709-R712 PolarHBondContact O-N 2.83Å; G709-R712 VanDerWaalsContact O-N 3.16Å; R712-F716 PolarHBondContact O-N 3.06Å; R712-K782 PolarHBondContact O-NZ 3.35Å; R712-D786 IonicContact CZ-OD1 3.81Å; R712-D786 VanDerWaalsContact NH1-CG 3.32Å; R712-D786 IonicContact NH1-OD1 4Å; R712-D786 PolarHBondContact NH1-OD1 3.25Å; R712-D786 IonicContact NH1-OD2 3.97Å; R712-D786 PolarHBondContact NH1-OD2 3.11Å; R712-D786 IonicContact NH2-OD1 2.82Å |
| 713 | W | 60.8 | Low | 58.3 | Low | 155 Ų | 155 | 73.4 Ų | 73.4 | 59% | 0.587 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66.2 | -46.1 | -167.3 | -168.9 | -116 | 0 | 0 | 0 | 115.7 | G709 F715 F716 L717 | G709-W713 PolarHBondContact O-N 3.48Å; W713-F715 PolarHBondContact O-N 2.98Å; W713-F716 HydrophobicContact CE3-CD1 4.28Å; W713-F716 HydrophobicContact CZ3-CD1 4.01Å; W713-F716 HydrophobicContact CZ3-CE1 4.27Å; W713-F716 WeakPolarHBondContact O-CB 3.12Å; W713-F716 PolarHBondContact O-N 3.31Å; W713-F716 VanDerWaalsContact O-N 3.13Å; W713-L717 HydrophobicContact CZ2-CD2 4.19Å; W713-L717 PolarHBondContact O-N 3.28Å |
| 714 | P | 60.8 | Low | 60.2 | Low | 60 Ų | 60 | 68.9 Ų | 68.9 | 39% | 0.39 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.6 | -46.3 | 179.2 | -26.6 | 35.7 | 0 | 0 | 0 | 113 | Y710 F716 L717 E718 | Y710-P714 WeakPolarHBondContact O-CD 3.31Å; P714-F716 VanDerWaalsContact C-N 3.32Å; P714-F716 PolarHBondContact O-N 3.14Å; P714-L717 PolarHBondContact O-N 3.04Å; P714-E718 WeakPolarHBondContact O-CB 3.09Å; P714-E718 PolarHBondContact O-N 3.18Å |
| 715 | F | 58.3 | Low | 61.7 | Low | 23 Ų | 23 | 67.2 Ų | 67.2 | 10% | 0.101 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.2 | -28.8 | 178.4 | -57.1 | -79.4 | 0 | 0 | 0 | 113.4 | R694 I698 I711 W713 G719 | R694-F715 HydrophobicContact CB-CE1 4.38Å; I698-F715 HydrophobicContact CD1-CE2 4.46Å; I698-F715 HydrophobicContact CD1-CZ 4.44Å; I698-F715 HydrophobicContact CG1-CE2 3.9Å; I698-F715 HydrophobicContact CG1-CZ 3.87Å; I711-F715 HydrophobicContact CG2-CE2 4.39Å; I711-F715 WeakPolarHBondContact O-CD2 3.06Å; W713-F715 PolarHBondContact O-N 2.98Å; F715-G719 PolarHBondContact O-N 2.92Å |
| 716 | F | 63.1 | Low | 63.5 | Low | 60 Ų | 60 | 64.3 Ų | 64.3 | 26% | 0.263 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.4 | -43.3 | 175.6 | -175.9 | -89.9 | 0 | 0 | 0 | 110.8 | R712 W713 P714 G720 | R712-F716 PolarHBondContact O-N 3.06Å; W713-F716 HydrophobicContact CE3-CD1 4.28Å; W713-F716 HydrophobicContact CZ3-CD1 4.01Å; W713-F716 HydrophobicContact CZ3-CE1 4.27Å; W713-F716 WeakPolarHBondContact O-CB 3.12Å; W713-F716 PolarHBondContact O-N 3.31Å; W713-F716 VanDerWaalsContact O-N 3.13Å; P714-F716 VanDerWaalsContact C-N 3.32Å; P714-F716 PolarHBondContact O-N 3.14Å; F716-G720 PolarHBondContact O-N 3.28Å; F716-G720 VanDerWaalsContact O-N 3.12Å |
| 717 | L | 66.3 | Low | 65.2 | Low | 59 Ų | 59 | 63 Ų | 63 | 31% | 0.309 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 171.3 | -68.9 | 175.1 | 0 | 0 | 0 | 111.5 | W713 P714 G719 G720 W721 | W713-L717 HydrophobicContact CZ2-CD2 4.19Å; W713-L717 PolarHBondContact O-N 3.28Å; P714-L717 PolarHBondContact O-N 3.04Å; L717-G719 PolarHBondContact O-N 2.8Å; L717-G720 CarbonylContact O-C 3.54Å; L717-G720 PolarHBondContact O-N 2.8Å; L717-G720 VanDerWaalsContact O-N 3.17Å; L717-W721 PolarHBondContact O-N 3Å |
| 718 | E | 62.4 | Low | 66.5 | Low | 58 Ų | 58 | 59.1 Ų | 59.1 | 27% | 0.271 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | -178.4 | -167.6 | -179.1 | 150.8 | 0 | 0 | 112.3 | R694 P714 W721 I722 | R694-E718 IonicContact CZ-OE2 2.7Å; R694-E718 IonicContact NH1-OE1 2.69Å; R694-E718 PolarHBondContact NH1-OE1 3.49Å; R694-E718 IonicContact NH1-OE2 2.75Å; R694-E718 PolarHBondContact NH1-OE2 2.78Å; R694-E718 IonicContact NH2-OE2 2.98Å; P714-E718 WeakPolarHBondContact O-CB 3.09Å; P714-E718 PolarHBondContact O-N 3.18Å; E718-W721 PolarHBondContact O-N 2.9Å; E718-I722 HydrophobicContact CG-CD1 4.36Å; E718-I722 WeakPolarHBondContact O-CG1 3.3Å; E718-I722 PolarHBondContact O-N 3.1Å |
| 719 | G | 66.1 | Low | 67.9 | Low | 7 Ų | 7 | 59 Ų | 59 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F715 L717 W721 I722 G723 G778 | F715-G719 PolarHBondContact O-N 2.92Å; L717-G719 PolarHBondContact O-N 2.8Å; G719-W721 VanDerWaalsContact C-N 3.35Å; G719-W721 PolarHBondContact O-N 3.41Å; G719-I722 PolarHBondContact O-N 3.18Å; G719-G723 PolarHBondContact O-N 3.04Å; G719-G778 CarbonylContact C-O 3.59Å; G719-G778 WeakPolarHBondContact CA-O 3.35Å; G719-G778 VanDerWaalsContact O-CA 3.29Å; G719-G778 WeakPolarHBondContact O-CA 3.29Å |
| 720 | G | 74.5 | Confident | 69 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F716 L717 G723 L724 | F716-G720 PolarHBondContact O-N 3.28Å; F716-G720 VanDerWaalsContact O-N 3.12Å; L717-G720 CarbonylContact O-C 3.54Å; L717-G720 PolarHBondContact O-N 2.8Å; L717-G720 VanDerWaalsContact O-N 3.17Å; G720-G723 PolarHBondContact O-N 2.8Å; G720-L724 PolarHBondContact O-N 3.45Å |
| 721 | W | 76.5 | Confident | 70 | Confident | 158 Ų | 158 | 49.5 Ų | 49.5 | 60% | 0.598 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -67.7 | -43.6 | 175.9 | -76.9 | 120.8 | 0 | 0 | 0 | 112.6 | L717 E718 G719 G723 L724 I725 | L717-W721 PolarHBondContact O-N 3Å; E718-W721 PolarHBondContact O-N 2.9Å; G719-W721 VanDerWaalsContact C-N 3.35Å; G719-W721 PolarHBondContact O-N 3.41Å; W721-G723 VanDerWaalsContact C-N 3.27Å; W721-G723 PolarHBondContact O-N 2.63Å; W721-L724 HydrophobicContact CE3-CD1 4.17Å; W721-L724 HydrophobicContact CZ3-CD1 4.25Å; W721-L724 PolarHBondContact O-N 2.97Å; W721-I725 WeakPolarHBondContact O-CB 3.44Å; W721-I725 VanDerWaalsContact O-CG1 3.24Å; W721-I725 WeakPolarHBondContact O-CG1 3.38Å; W721-I725 PolarHBondContact O-N 2.89Å |
| 722 | I | 69.1 | Low | 71.1 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.5 | -42.9 | 173.4 | -70.1 | 165.5 | 0 | 0 | 0 | 110.2 | T521 V525 E718 G719 G726 | T521-I722 HydrophobicContact CG2-CD1 4.03Å; T521-I722 HydrophobicContact CG2-CG1 4.06Å; V525-I722 HydrophobicContact CG2-CG2 4.01Å; E718-I722 HydrophobicContact CG-CD1 4.36Å; E718-I722 WeakPolarHBondContact O-CG1 3.3Å; E718-I722 PolarHBondContact O-N 3.1Å; G719-I722 PolarHBondContact O-N 3.18Å; I722-G726 PolarHBondContact O-N 2.88Å |
| 723 | G | 72.6 | Confident | 72.3 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G719 G720 W721 S727 G774 | G719-G723 PolarHBondContact O-N 3.04Å; G720-G723 PolarHBondContact O-N 2.8Å; W721-G723 VanDerWaalsContact C-N 3.27Å; W721-G723 PolarHBondContact O-N 2.63Å; G723-S727 PolarHBondContact O-N 2.8Å; G723-G774 VanDerWaalsContact CA-O 3.3Å; G723-G774 WeakPolarHBondContact CA-O 2.82Å |
| 724 | L | 80.1 | Confident | 73.1 | Confident | 57 Ų | 57 | 45.1 Ų | 45.1 | 30% | 0.298 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.5 | -50.6 | 176.5 | -91.9 | 167.4 | 0 | 0 | 0 | 112.1 | G720 W721 G726 S727 Y775 | G720-L724 PolarHBondContact O-N 3.45Å; W721-L724 HydrophobicContact CE3-CD1 4.17Å; W721-L724 HydrophobicContact CZ3-CD1 4.25Å; W721-L724 PolarHBondContact O-N 2.97Å; L724-G726 VanDerWaalsContact C-N 3.29Å; L724-G726 PolarHBondContact O-N 2.91Å; L724-S727 WeakPolarHBondContact O-CB 3.32Å; L724-S727 PolarHBondContact O-N 2.81Å; L724-S727 PolarHBondContact O-OG 2.78Å; L724-Y775 HydrophobicContact CD1-CD2 3.73Å; L724-Y775 HydrophobicContact CD1-CE2 4.33Å; L724-Y775 HydrophobicContact CG-CD2 4.01Å |
| 725 | I | 75.4 | Confident | 74.1 | Confident | 88 Ų | 88 | 44.3 Ų | 44.3 | 45% | 0.451 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.9 | -43.5 | -178.9 | -66.6 | 164.3 | 0 | 0 | 0 | 110 | V525 W721 S727 I728 | V525-I725 HydrophobicContact CG1-CG2 3.85Å; V525-I725 HydrophobicContact CG2-CG2 4.23Å; W721-I725 WeakPolarHBondContact O-CB 3.44Å; W721-I725 VanDerWaalsContact O-CG1 3.24Å; W721-I725 WeakPolarHBondContact O-CG1 3.38Å; W721-I725 PolarHBondContact O-N 2.89Å; I725-S727 PolarHBondContact O-N 2.99Å; I725-I728 PolarHBondContact O-N 3.16Å |
| 726 | G | 76.9 | Confident | 75 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66 | -13.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T529 I722 L724 P730 | T529-G726 WeakPolarHBondContact CA-O 3.49Å; T529-G726 PolarHBondContact OG1-O 3.09Å; I722-G726 PolarHBondContact O-N 2.88Å; L724-G726 VanDerWaalsContact C-N 3.29Å; L724-G726 PolarHBondContact O-N 2.91Å; G726-P730 WeakPolarHBondContact O-CD 3.44Å; G726-P730 VanDerWaalsContact O-CG 3.23Å; G726-P730 WeakPolarHBondContact O-CG 3.36Å |
| 727 | S | 82.4 | Confident | 75.4 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -87.5 | -17.2 | 175.3 | 77.4 | 0 | 0 | 0 | 0 | 114.4 | G723 L724 I725 P730 I731 M770 | G723-S727 PolarHBondContact O-N 2.8Å; L724-S727 WeakPolarHBondContact O-CB 3.32Å; L724-S727 PolarHBondContact O-N 2.81Å; L724-S727 PolarHBondContact O-OG 2.78Å; I725-S727 PolarHBondContact O-N 2.99Å; S727-P730 WeakPolarHBondContact O-CD 3.46Å; S727-I731 WeakPolarHBondContact O-CB 3.36Å; S727-I731 WeakPolarHBondContact O-CD1 3.47Å; S727-I731 WeakPolarHBondContact O-CG1 3.5Å; S727-I731 PolarHBondContact O-N 2.79Å; S727-I731 VanDerWaalsContact O-N 3.13Å; S727-M770 WeakPolarHBondContact CB-O 3.46Å |
| 728 | I | 82.4 | Confident | 76 | Confident | 91 Ų | 91 | 46.8 Ų | 46.8 | 47% | 0.467 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.5 | -54.9 | -173.7 | -60 | 172.7 | 0 | 0 | 0 | 112.6 | I725 I731 L732 | I725-I728 PolarHBondContact O-N 3.16Å; I728-I731 PolarHBondContact O-N 3.44Å; I728-L732 HydrophobicContact CG2-CD1 4.06Å; I728-L732 WeakPolarHBondContact O-CG 3.24Å; I728-L732 PolarHBondContact O-N 3.29Å; I728-L732 VanDerWaalsContact O-N 3.07Å |
| 729 | V | 76.8 | Confident | 76.7 | Confident | 73 Ų | 73 | 46.8 Ų | 46.8 | 44% | 0.442 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.6 | -44 | -180 | 172.7 | 0 | 0 | 0 | 0 | 112 | T529 I731 L732 I733 | T529-V729 HydrophobicContact CG2-CB 4.11Å; T529-V729 HydrophobicContact CG2-CG1 4.15Å; V729-I731 PolarHBondContact O-N 2.75Å; V729-L732 PolarHBondContact O-N 3.43Å; V729-I733 HydrophobicContact CG1-CD1 3.76Å; V729-I733 HydrophobicContact CG1-CG1 4.41Å; V729-I733 WeakPolarHBondContact O-CG1 3.49Å; V729-I733 PolarHBondContact O-N 3.46Å |
| 730 | P | 78 | Confident | 77 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 174.4 | -27.3 | 36.8 | 0 | 0 | 0 | 114.2 | T529 L532 T533 G726 S727 I733 L734 M770 | T529-P730 HydrophobicContact CG2-CG 4.05Å; T529-P730 VanDerWaalsContact O-CG 3.3Å; T529-P730 WeakPolarHBondContact O-CG 3.42Å; L532-P730 HydrophobicContact CB-CB 4.16Å; L532-P730 HydrophobicContact CB-CG 3.99Å; T533-P730 WeakPolarHBondContact OG1-CG 3.33Å; G726-P730 WeakPolarHBondContact O-CD 3.44Å; G726-P730 VanDerWaalsContact O-CG 3.23Å; G726-P730 WeakPolarHBondContact O-CG 3.36Å; S727-P730 WeakPolarHBondContact O-CD 3.46Å; P730-I733 PolarHBondContact O-N 2.9Å; P730-L734 PolarHBondContact O-N 3.1Å; P730-M770 HydrophobicContact CB-CE 3.17Å; P730-M770 HydrophobicContact CG-CE 4.48Å |
| 731 | I | 83.7 | Confident | 76.7 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 18% | 0.179 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 176.5 | -77.3 | 170 | 0 | 0 | 0 | 110.8 | S727 I728 V729 I733 L734 T735 D767 M770 A771 | S727-I731 WeakPolarHBondContact O-CB 3.36Å; S727-I731 WeakPolarHBondContact O-CD1 3.47Å; S727-I731 WeakPolarHBondContact O-CG1 3.5Å; S727-I731 PolarHBondContact O-N 2.79Å; S727-I731 VanDerWaalsContact O-N 3.13Å; I728-I731 PolarHBondContact O-N 3.44Å; V729-I731 PolarHBondContact O-N 2.75Å; I731-I733 VanDerWaalsContact C-N 3.34Å; I731-I733 PolarHBondContact O-N 2.97Å; I731-L734 PolarHBondContact O-N 2.96Å; I731-T735 VanDerWaalsContact O-CB 3.31Å; I731-T735 WeakPolarHBondContact O-CB 3.4Å; I731-T735 PolarHBondContact O-N 2.78Å; I731-T735 PolarHBondContact O-OG1 2.74Å; I731-D767 HydrophobicContact CD1-CB 4.46Å; I731-D767 HydrophobicContact CG1-CB 4.3Å; I731-D767 HydrophobicContact CG2-CB 4.37Å; I731-M770 HydrophobicContact CG1-CB 4.33Å; I731-M770 HydrophobicContact CG1-CE 4.44Å; I731-A771 HydrophobicContact CD1-CB 4.08Å |
| 732 | L | 78.2 | Confident | 76.7 | Confident | 99 Ų | 99 | 49.3 Ų | 49.3 | 52% | 0.518 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 177.9 | -70.4 | 169.6 | 0 | 0 | 0 | 112.2 | I728 V729 Y736 | I728-L732 HydrophobicContact CG2-CD1 4.06Å; I728-L732 WeakPolarHBondContact O-CG 3.24Å; I728-L732 PolarHBondContact O-N 3.29Å; I728-L732 VanDerWaalsContact O-N 3.07Å; V729-L732 PolarHBondContact O-N 3.43Å; L732-Y736 PolarHBondContact O-N 3.34Å |
| 733 | I | 74.2 | Confident | 76.8 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 28% | 0.277 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 177.7 | -72 | 169.5 | 0 | 0 | 0 | 111.2 | T533 V729 P730 I731 G737 | T533-I733 HydrophobicContact CG2-CG2 4.49Å; V729-I733 HydrophobicContact CG1-CD1 3.76Å; V729-I733 HydrophobicContact CG1-CG1 4.41Å; V729-I733 WeakPolarHBondContact O-CG1 3.49Å; V729-I733 PolarHBondContact O-N 3.46Å; P730-I733 PolarHBondContact O-N 2.9Å; I731-I733 VanDerWaalsContact C-N 3.34Å; I731-I733 PolarHBondContact O-N 2.97Å; I733-G737 VanDerWaalsContact O-CA 3.22Å; I733-G737 WeakPolarHBondContact O-CA 3.47Å; I733-G737 PolarHBondContact O-N 3.26Å |
| 734 | L | 78.3 | Confident | 76.5 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -77.5 | -40.7 | -178.3 | -74.1 | 169.1 | 0 | 0 | 0 | 113.2 | I537 P730 I731 G737 Y738 M770 | I537-L734 HydrophobicContact CG1-CD2 3.77Å; P730-L734 PolarHBondContact O-N 3.1Å; I731-L734 PolarHBondContact O-N 2.96Å; L734-G737 PolarHBondContact O-N 2.94Å; L734-Y738 WeakPolarHBondContact O-CB 3.28Å; L734-Y738 PolarHBondContact O-N 3.21Å; L734-M770 HydrophobicContact CD1-CE 3.58Å; L734-M770 HydrophobicContact CD1-SD 3.38Å; L734-M770 WeakPolarHBondContact CD1-SD 3.46Å |
| 735 | T | 80.4 | Confident | 75.8 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 26% | 0.258 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.2 | -51.3 | 177.7 | -75.5 | 0 | 0 | 0 | 0 | 111.4 | I731 I763 D767 | I731-T735 VanDerWaalsContact O-CB 3.31Å; I731-T735 WeakPolarHBondContact O-CB 3.4Å; I731-T735 PolarHBondContact O-N 2.78Å; I731-T735 PolarHBondContact O-OG1 2.74Å; T735-I763 HydrophobicContact CG2-CG2 4.22Å; T735-I763 WeakPolarHBondContact O-CD1 3.19Å; T735-I763 VanDerWaalsContact OG1-CG2 3.28Å; T735-I763 WeakPolarHBondContact OG1-CG2 3.46Å; T735-D767 PolarHBondContact OG1-OD1 3Å; T735-D767 PolarHBondContact OG1-OD2 2.93Å |
| 736 | Y | 76.9 | Confident | 75.6 | Confident | 167 Ų | 167 | 51.1 Ų | 51.1 | 66% | 0.655 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -72.7 | -44 | 175.2 | -91.4 | -89.9 | 0 | 0 | 0 | 112 | L732 S739 Q740 | L732-Y736 PolarHBondContact O-N 3.34Å; Y736-S739 PolarHBondContact O-N 2.79Å; Y736-Q740 WeakPolarHBondContact O-CG 3.26Å; Y736-Q740 PolarHBondContact O-N 3.34Å |
| 737 | G | 72.4 | Confident | 74.7 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 8% | 0.082 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66 | -44.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I733 L734 S739 Q740 V741 F1783 | I733-G737 VanDerWaalsContact O-CA 3.22Å; I733-G737 WeakPolarHBondContact O-CA 3.47Å; I733-G737 PolarHBondContact O-N 3.26Å; L734-G737 PolarHBondContact O-N 2.94Å; G737-S739 VanDerWaalsContact C-N 3.34Å; G737-S739 PolarHBondContact O-N 3.18Å; G737-Q740 PolarHBondContact O-N 3Å; G737-V741 WeakPolarHBondContact O-CG2 3.24Å; G737-V741 PolarHBondContact O-N 3.1Å; G737-F1783 VanDerWaalsContact CA-CZ 3.41Å |
| 738 | Y | 79.7 | Confident | 73.6 | Confident | 19 Ų | 19 | 62.4 Ų | 62.4 | 8% | 0.075 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 177.9 | -168.5 | -90.4 | 0 | 0 | 0 | 112 | A540 N544 L734 Q740 V741 Y742 L757 P759 I762 I763 | A540-Y738 HydrophobicContact CB-CD2 4.45Å; N544-Y738 VanDerWaalsContact CG-OH 3.31Å; N544-Y738 WeakPolarHBondContact ND2-CE2 3.42Å; N544-Y738 PolarHBondContact ND2-OH 3.27Å; N544-Y738 PolarHBondContact OD1-OH 3.14Å; L734-Y738 WeakPolarHBondContact O-CB 3.28Å; L734-Y738 PolarHBondContact O-N 3.21Å; Y738-Q740 VanDerWaalsContact C-N 3.35Å; Y738-Q740 PolarHBondContact O-N 3.2Å; Y738-V741 PolarHBondContact O-N 3.31Å; Y738-Y742 HydrophobicContact CE1-CD2 4.46Å; Y738-Y742 WeakPolarHBondContact O-CB 3.28Å; Y738-Y742 PolarHBondContact O-N 3.02Å; Y738-L757 WeakPolarHBondContact CE1-O 3.25Å; Y738-L757 PolarHBondContact OH-O 3.38Å; Y738-P759 HydrophobicContact CD1-CB 4.34Å; Y738-P759 HydrophobicContact CD1-CG 4.33Å; Y738-P759 HydrophobicContact CE1-CG 4.41Å; Y738-I762 HydrophobicContact CD1-CG2 3.68Å; Y738-I762 HydrophobicContact CE1-CG2 3.34Å; Y738-I762 HydrophobicContact CE2-CD1 4.27Å; Y738-I762 HydrophobicContact CE2-CG2 4.3Å; Y738-I762 HydrophobicContact CG-CG2 4.29Å; Y738-I763 HydrophobicContact CD1-CG1 4.37Å |
| 739 | S | 77.1 | Confident | 72.6 | Confident | 59 Ų | 59 | 60 Ų | 60 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 176.3 | -168.8 | 0 | 0 | 0 | 0 | 112 | Y736 G737 G743 | Y736-S739 PolarHBondContact O-N 2.79Å; G737-S739 VanDerWaalsContact C-N 3.34Å; G737-S739 PolarHBondContact O-N 3.18Å; S739-G743 PolarHBondContact O-N 3.44Å |
| 740 | Q | 70.9 | Confident | 71.8 | Confident | 104 Ų | 104 | 61 Ų | 61 | 49% | 0.486 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 175.1 | -65.2 | -65.1 | -24.4 | 0 | 0 | 112.4 | Y736 G737 Y738 Y742 G743 L744 F1783 | Y736-Q740 WeakPolarHBondContact O-CG 3.26Å; Y736-Q740 PolarHBondContact O-N 3.34Å; G737-Q740 PolarHBondContact O-N 3Å; Y738-Q740 VanDerWaalsContact C-N 3.35Å; Y738-Q740 PolarHBondContact O-N 3.2Å; Q740-Y742 PolarHBondContact O-N 3Å; Q740-G743 PolarHBondContact O-N 2.79Å; Q740-L744 WeakPolarHBondContact O-CG 3.44Å; Q740-L744 PolarHBondContact O-N 2.86Å; Q740-F1783 HydrophobicContact CB-CZ 4.42Å |
| 741 | V | 69.7 | Low | 70.6 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 38% | 0.382 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 177.7 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | G737 Y738 L744 A745 F1783 | G737-V741 WeakPolarHBondContact O-CG2 3.24Å; G737-V741 PolarHBondContact O-N 3.1Å; Y738-V741 PolarHBondContact O-N 3.31Å; V741-L744 PolarHBondContact O-N 2.83Å; V741-A745 VanDerWaalsContact O-CB 3.28Å; V741-A745 WeakPolarHBondContact O-CB 3.48Å; V741-A745 PolarHBondContact O-N 3.43Å; V741-F1783 HydrophobicContact CG2-CE2 4.06Å |
| 742 | Y | 76.7 | Confident | 69.1 | Low | 51 Ų | 51 | 70.5 Ų | 70.5 | 20% | 0.2 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 176 | -179.6 | -86.7 | 0 | 0 | 0 | 111.4 | Y738 Q740 L744 A745 A746 L756 L757 R758 P759 | Y738-Y742 HydrophobicContact CE1-CD2 4.46Å; Y738-Y742 WeakPolarHBondContact O-CB 3.28Å; Y738-Y742 PolarHBondContact O-N 3.02Å; Q740-Y742 PolarHBondContact O-N 3Å; Y742-L744 VanDerWaalsContact C-N 3.27Å; Y742-L744 PolarHBondContact O-N 2.82Å; Y742-A745 PolarHBondContact O-N 3.04Å; Y742-A746 HydrophobicContact CD1-CB 4.35Å; Y742-A746 HydrophobicContact CE1-CB 4.02Å; Y742-A746 HydrophobicContact CE2-CB 4.21Å; Y742-A746 WeakPolarHBondContact O-CB 3.29Å; Y742-A746 PolarHBondContact O-N 3.4Å; Y742-L756 HydrophobicContact CD2-CB 3.97Å; Y742-L756 HydrophobicContact CE2-CB 4.14Å; Y742-L757 WeakPolarHBondContact CD2-O 3.31Å; Y742-R758 HydrophobicContact CE2-CB 4.48Å; Y742-R758 HydrophobicContact CE2-CG 4.24Å; Y742-P759 HydrophobicContact CD1-CG 3.91Å; Y742-P759 HydrophobicContact CD2-CG 4.41Å; Y742-P759 HydrophobicContact CG-CG 3.82Å |
| 743 | G | 70.5 | Confident | 68.1 | Low | 50 Ų | 50 | 71.9 Ų | 71.9 | 52% | 0.515 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61 | -32.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | S739 Q740 | S739-G743 PolarHBondContact O-N 3.44Å; Q740-G743 PolarHBondContact O-N 2.79Å |
| 744 | L | 66.9 | Low | 67.7 | Low | 102 Ų | 102 | 70.8 Ų | 70.8 | 53% | 0.534 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -79.7 | -39.3 | 175.8 | -71.5 | 168.8 | 0 | 0 | 0 | 113.2 | Q740 V741 Y742 Y748 | Q740-L744 WeakPolarHBondContact O-CG 3.44Å; Q740-L744 PolarHBondContact O-N 2.86Å; V741-L744 PolarHBondContact O-N 2.83Å; Y742-L744 VanDerWaalsContact C-N 3.27Å; Y742-L744 PolarHBondContact O-N 2.82Å; L744-Y748 VanDerWaalsContact O-CD2 3.32Å; L744-Y748 WeakPolarHBondContact O-CD2 3.37Å; L744-Y748 WeakPolarHBondContact O-CE2 3.31Å |
| 745 | A | 64.8 | Low | 67.5 | Low | 29 Ų | 29 | 73.6 Ų | 73.6 | 24% | 0.24 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -92.3 | -35.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V741 Y742 P747 Y748 L749 L756 | V741-A745 VanDerWaalsContact O-CB 3.28Å; V741-A745 WeakPolarHBondContact O-CB 3.48Å; V741-A745 PolarHBondContact O-N 3.43Å; Y742-A745 PolarHBondContact O-N 3.04Å; A745-P747 VanDerWaalsContact C-CD 3.44Å; A745-Y748 PolarHBondContact O-N 2.97Å; A745-L749 HydrophobicContact CB-CD1 4.3Å; A745-L749 PolarHBondContact O-N 2.94Å; A745-L756 HydrophobicContact CB-CD1 3.72Å |
| 746 | A | 71.1 | Confident | 67.3 | Low | 12 Ų | 12 | 72.5 Ų | 72.5 | 10% | 0.099 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.9 | -39.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y742 Y748 L749 L750 | Y742-A746 HydrophobicContact CD1-CB 4.35Å; Y742-A746 HydrophobicContact CE1-CB 4.02Å; Y742-A746 HydrophobicContact CE2-CB 4.21Å; Y742-A746 WeakPolarHBondContact O-CB 3.29Å; Y742-A746 PolarHBondContact O-N 3.4Å; A746-Y748 VanDerWaalsContact C-N 3.28Å; A746-Y748 PolarHBondContact O-N 3.43Å; A746-L749 PolarHBondContact O-N 2.84Å; A746-L750 WeakPolarHBondContact O-CB 3.31Å; A746-L750 WeakPolarHBondContact O-CG 3.27Å; A746-L750 PolarHBondContact O-N 2.89Å |
| 747 | P | 58.3 | Low | 67.5 | Low | 72 Ų | 72 | 66.3 Ų | 66.3 | 47% | 0.468 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.9 | -31.7 | 179.1 | -24.8 | 35.7 | 0 | 0 | 0 | 114.4 | A745 | A745-P747 VanDerWaalsContact C-CD 3.44Å |
| 748 | Y | 59.5 | Low | 67.9 | Low | 169 Ų | 169 | 71.7 Ų | 71.7 | 66% | 0.663 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -82.3 | -38.9 | 178.8 | -61.7 | -82.7 | 0 | 0 | 0 | 111.7 | L744 A745 A746 Q751 | L744-Y748 VanDerWaalsContact O-CD2 3.32Å; L744-Y748 WeakPolarHBondContact O-CD2 3.37Å; L744-Y748 WeakPolarHBondContact O-CE2 3.31Å; A745-Y748 PolarHBondContact O-N 2.97Å; A746-Y748 VanDerWaalsContact C-N 3.28Å; A746-Y748 PolarHBondContact O-N 3.43Å; Y748-Q751 WeakPolarHBondContact O-CB 3.35Å; Y748-Q751 PolarHBondContact O-N 2.85Å |
| 749 | L | 60.4 | Low | 68 | Low | 40 Ų | 40 | 71.6 Ų | 71.6 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -71.4 | -33.5 | -179.3 | -69.5 | 168.6 | 0 | 0 | 0 | 112.5 | A745 A746 Q751 S752 N753 L754 L756 | A745-L749 HydrophobicContact CB-CD1 4.3Å; A745-L749 PolarHBondContact O-N 2.94Å; A746-L749 PolarHBondContact O-N 2.84Å; L749-Q751 PolarHBondContact O-N 2.76Å; L749-S752 CarbonylContact O-C 3.6Å; L749-S752 WeakPolarHBondContact O-CA 3.04Å; L749-S752 WeakPolarHBondContact O-CB 3.27Å; L749-S752 PolarHBondContact O-N 2.83Å; L749-N753 PolarHBondContact O-N 3.49Å; L749-L754 CarbonylContact C-O 3.57Å; L749-L754 HydrophobicContact CB-CB 4.14Å; L749-L754 WeakPolarHBondContact CB-O 3.22Å; L749-L754 HydrophobicContact CD2-CB 4.22Å; L749-L754 HydrophobicContact CD2-CD1 4.1Å; L749-L754 PolarHBondContact O-N 2.84Å; L749-L756 HydrophobicContact CD1-CD1 3.77Å; L749-L756 HydrophobicContact CD1-CD2 3.84Å; L749-L756 HydrophobicContact CD1-CG 3.54Å |
| 750 | L | 60.2 | Low | 68.1 | Low | 94 Ų | 94 | 75.9 Ų | 75.9 | 49% | 0.492 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -62.9 | -26.8 | 173.2 | -78.2 | 166.5 | 0 | 0 | 0 | 113.4 | A746 S752 N753 E755 | A746-L750 WeakPolarHBondContact O-CB 3.31Å; A746-L750 WeakPolarHBondContact O-CG 3.27Å; A746-L750 PolarHBondContact O-N 2.89Å; L750-S752 PolarHBondContact O-N 3.2Å; L750-N753 PolarHBondContact O-N 2.88Å; L750-E755 HydrophobicContact CD2-CG 4.1Å |
| 751 | Q | 53.5 | Low | 68.6 | Low | 158 Ų | 158 | 76.1 Ų | 76.1 | 74% | 0.738 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -68.4 | -18.8 | 172.6 | -63.8 | 174.6 | 9.8 | 0 | 0 | 112.5 | Y748 L749 | Y748-Q751 WeakPolarHBondContact O-CB 3.35Å; Y748-Q751 PolarHBondContact O-N 2.85Å; L749-Q751 PolarHBondContact O-N 2.76Å |
| 752 | S | 52.4 | Low | 69.2 | Low | 76 Ų | 76 | 73.1 Ų | 73.1 | 53% | 0.531 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -107 | 9.4 | -177.8 | -54.5 | 0 | 0 | 0 | 0 | 113.4 | L749 L750 L754 | L749-S752 CarbonylContact O-C 3.6Å; L749-S752 WeakPolarHBondContact O-CA 3.04Å; L749-S752 WeakPolarHBondContact O-CB 3.27Å; L749-S752 PolarHBondContact O-N 2.83Å; L750-S752 PolarHBondContact O-N 3.2Å; S752-L754 VanDerWaalsContact C-N 3.31Å; S752-L754 PolarHBondContact O-N 2.82Å |
| 753 | N | 57.2 | Low | 69.5 | Low | 128 Ų | 128 | 71.9 Ų | 71.9 | 68% | 0.684 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 38.3 | -170 | -64 | -22.4 | 0 | 0 | 0 | 114.2 | L749 L750 | L749-N753 PolarHBondContact O-N 3.49Å; L750-N753 PolarHBondContact O-N 2.88Å |
| 754 | L | 64.5 | Low | 70.1 | Confident | 31 Ų | 31 | 78.3 Ų | 78.3 | 16% | 0.162 | 39% | 0.388 | C | S | . | . | trans | -117.7 | 133.7 | 176.2 | -61.6 | 175.4 | 0 | 0 | 0 | 110.4 | L548 D551 V552 L749 S752 | L548-L754 HydrophobicContact CD2-CB 3.89Å; L548-L754 HydrophobicContact CD2-CD1 4.33Å; L548-L754 HydrophobicContact CD2-CG 4.48Å; D551-L754 HydrophobicContact CB-CD2 3.87Å; V552-L754 HydrophobicContact CG2-CD2 3.67Å; L749-L754 CarbonylContact C-O 3.57Å; L749-L754 HydrophobicContact CB-CB 4.14Å; L749-L754 WeakPolarHBondContact CB-O 3.22Å; L749-L754 HydrophobicContact CD2-CB 4.22Å; L749-L754 HydrophobicContact CD2-CD1 4.1Å; L749-L754 PolarHBondContact O-N 2.84Å; S752-L754 VanDerWaalsContact C-N 3.31Å; S752-L754 PolarHBondContact O-N 2.82Å | ||
| 755 | E | 74.3 | Confident | 70.7 | Confident | 71 Ų | 71 | 76.9 Ų | 76.9 | 33% | 0.332 | 38% | 0.38 | S | S | . | . | trans | -115.7 | 130.2 | 174.8 | -76.5 | -160.7 | 137.7 | 0 | 0 | 111.9 | K547 D551 L750 R758 | K547-E755 WeakPolarHBondContact CE-O 3.3Å; K547-E755 WeakPolarHBondContact CG-O 3.17Å; D551-E755 PolarHBondContact OD2-N 2.67Å; L750-E755 HydrophobicContact CD2-CG 4.1Å; E755-R758 IonicContact OE1-CZ 3.84Å; E755-R758 IonicContact OE1-NH2 2.77Å; E755-R758 PolarHBondContact OE1-NH2 3.15Å; E755-R758 IonicContact OE2-NH2 2.7Å | ||
| 756 | L | 76.1 | Confident | 71.5 | Confident | 20 Ų | 20 | 75.5 Ų | 75.5 | 11% | 0.105 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 156.6 | 160.6 | -63.9 | 176.4 | 0 | 0 | 0 | 110 | N544 L548 Y742 A745 L749 R758 | N544-L756 HydrophobicContact CB-CD2 4.05Å; L548-L756 HydrophobicContact CD1-CD2 4.02Å; L548-L756 HydrophobicContact CD2-CD2 4.36Å; L548-L756 HydrophobicContact CG-CD2 4.27Å; Y742-L756 HydrophobicContact CD2-CB 3.97Å; Y742-L756 HydrophobicContact CE2-CB 4.14Å; A745-L756 HydrophobicContact CB-CD1 3.72Å; L749-L756 HydrophobicContact CD1-CD1 3.77Å; L749-L756 HydrophobicContact CD1-CD2 3.84Å; L749-L756 HydrophobicContact CD1-CG 3.54Å; L756-R758 PolarHBondContact O-N 3.48Å |
| 757 | L | 80.8 | Confident | 72.1 | Confident | 37 Ų | 37 | 76.4 Ų | 76.4 | 19% | 0.194 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 133.4 | 170.6 | -70.2 | 168.3 | 0 | 0 | 0 | 109.6 | M543 N544 K547 Y738 Y742 I762 | M543-L757 HydrophobicContact CB-CD1 3.95Å; M543-L757 HydrophobicContact CE-CD1 4.11Å; N544-L757 PolarHBondContact OD1-N 3.13Å; K547-L757 HydrophobicContact CB-CG 4.34Å; K547-L757 HydrophobicContact CG-CD2 4.4Å; K547-L757 HydrophobicContact CG-CG 4.26Å; Y738-L757 WeakPolarHBondContact CE1-O 3.25Å; Y738-L757 PolarHBondContact OH-O 3.38Å; Y742-L757 WeakPolarHBondContact CD2-O 3.31Å; L757-I762 HydrophobicContact CB-CB 4.21Å; L757-I762 HydrophobicContact CB-CD1 4.39Å; L757-I762 HydrophobicContact CB-CG2 4.4Å; L757-I762 HydrophobicContact CD1-CD1 3.93Å; L757-I762 HydrophobicContact CD1-CG1 4.45Å |
| 758 | R | 82.2 | Confident | 73.1 | Confident | 121 Ų | 121 | 76.4 Ų | 76.4 | 46% | 0.457 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 147.6 | -178.6 | -57.1 | -174.4 | -178.9 | 175.3 | 1.9 | 109.2 | Y742 E755 L756 N760 Q761 I762 | Y742-R758 HydrophobicContact CE2-CB 4.48Å; Y742-R758 HydrophobicContact CE2-CG 4.24Å; E755-R758 IonicContact OE1-CZ 3.84Å; E755-R758 IonicContact OE1-NH2 2.77Å; E755-R758 PolarHBondContact OE1-NH2 3.15Å; E755-R758 IonicContact OE2-NH2 2.7Å; L756-R758 PolarHBondContact O-N 3.48Å; R758-N760 PolarHBondContact O-N 3.12Å; R758-N760 VanDerWaalsContact O-N 3.1Å; R758-Q761 HydrophobicContact CB-CG 4.24Å; R758-Q761 WeakPolarHBondContact O-CB 3.46Å; R758-Q761 PolarHBondContact O-N 3.41Å; R758-I762 PolarHBondContact O-N 2.79Å |
| 759 | P | 80.7 | Confident | 73.8 | Confident | 16 Ų | 16 | 71.5 Ų | 71.5 | 10% | 0.104 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -49.5 | -44.1 | -178.4 | -29.9 | 36.9 | 0 | 0 | 0 | 112.6 | Y738 Y742 Q761 I762 I763 | Y738-P759 HydrophobicContact CD1-CB 4.34Å; Y738-P759 HydrophobicContact CD1-CG 4.33Å; Y738-P759 HydrophobicContact CE1-CG 4.41Å; Y742-P759 HydrophobicContact CD1-CG 3.91Å; Y742-P759 HydrophobicContact CD2-CG 4.41Å; Y742-P759 HydrophobicContact CG-CG 3.82Å; P759-Q761 PolarHBondContact O-N 3.38Å; P759-Q761 VanDerWaalsContact O-N 3.15Å; P759-I762 PolarHBondContact O-N 3.38Å; P759-I763 HydrophobicContact CB-CD1 3.67Å; P759-I763 HydrophobicContact CB-CG1 4.44Å; P759-I763 WeakPolarHBondContact O-CB 3.09Å; P759-I763 WeakPolarHBondContact O-CG1 3.38Å; P759-I763 PolarHBondContact O-N 2.85Å |
| 760 | N | 80.5 | Confident | 74.8 | Confident | 150 Ų | 150 | 69.9 Ų | 69.9 | 80% | 0.802 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.3 | -21.6 | 177.8 | -48.7 | 34.8 | 0 | 0 | 0 | 114.6 | R758 | R758-N760 PolarHBondContact O-N 3.12Å; R758-N760 VanDerWaalsContact O-N 3.1Å |
| 761 | Q | 81.1 | Confident | 75.7 | Confident | 109 Ų | 109 | 66.8 Ų | 66.8 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -92.9 | -24.1 | -179 | -64.4 | 174.1 | -55.9 | 0 | 0 | 112.9 | R758 P759 I765 | R758-Q761 HydrophobicContact CB-CG 4.24Å; R758-Q761 WeakPolarHBondContact O-CB 3.46Å; R758-Q761 PolarHBondContact O-N 3.41Å; P759-Q761 PolarHBondContact O-N 3.38Å; P759-Q761 VanDerWaalsContact O-N 3.15Å; Q761-I765 WeakPolarHBondContact O-CD1 3.37Å |
| 762 | I | 82.5 | Confident | 76.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -116.9 | -36.3 | -170.1 | -167.5 | 175.8 | 0 | 0 | 0 | 113.7 | A540 M543 N544 Y738 L757 R758 P759 W764 I765 L766 | A540-I762 HydrophobicContact CB-CD1 4.4Å; M543-I762 HydrophobicContact CB-CD1 4.1Å; M543-I762 HydrophobicContact CE-CD1 4.24Å; M543-I762 HydrophobicContact CE-CG1 3.91Å; M543-I762 HydrophobicContact SD-CD1 4.15Å; M543-I762 HydrophobicContact SD-CG1 4.11Å; N544-I762 WeakPolarHBondContact ND2-CD1 3.46Å; Y738-I762 HydrophobicContact CD1-CG2 3.68Å; Y738-I762 HydrophobicContact CE1-CG2 3.34Å; Y738-I762 HydrophobicContact CE2-CD1 4.27Å; Y738-I762 HydrophobicContact CE2-CG2 4.3Å; Y738-I762 HydrophobicContact CG-CG2 4.29Å; L757-I762 HydrophobicContact CB-CB 4.21Å; L757-I762 HydrophobicContact CB-CD1 4.39Å; L757-I762 HydrophobicContact CB-CG2 4.4Å; L757-I762 HydrophobicContact CD1-CD1 3.93Å; L757-I762 HydrophobicContact CD1-CG1 4.45Å; R758-I762 PolarHBondContact O-N 2.79Å; P759-I762 PolarHBondContact O-N 3.38Å; I762-W764 PolarHBondContact O-N 3.19Å; I762-I765 WeakPolarHBondContact O-CB 3.37Å; I762-I765 PolarHBondContact O-N 2.86Å; I762-I765 VanDerWaalsContact O-N 3.09Å; I762-L766 HydrophobicContact CD1-CD1 4.45Å; I762-L766 HydrophobicContact CG1-CD1 4.04Å; I762-L766 HydrophobicContact CG1-CG 4.14Å; I762-L766 WeakPolarHBondContact O-CG 3.45Å; I762-L766 PolarHBondContact O-N 3.18Å |
| 763 | I | 83 | Confident | 77.7 | Confident | 25 Ų | 25 | 60 Ų | 60 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.2 | -51.3 | -176.5 | -72.6 | 173.4 | 0 | 0 | 0 | 110.7 | T735 Y738 P759 I765 L766 D767 | T735-I763 HydrophobicContact CG2-CG2 4.22Å; T735-I763 WeakPolarHBondContact O-CD1 3.19Å; T735-I763 VanDerWaalsContact OG1-CG2 3.28Å; T735-I763 WeakPolarHBondContact OG1-CG2 3.46Å; Y738-I763 HydrophobicContact CD1-CG1 4.37Å; P759-I763 HydrophobicContact CB-CD1 3.67Å; P759-I763 HydrophobicContact CB-CG1 4.44Å; P759-I763 WeakPolarHBondContact O-CB 3.09Å; P759-I763 WeakPolarHBondContact O-CG1 3.38Å; P759-I763 PolarHBondContact O-N 2.85Å; I763-I765 PolarHBondContact O-N 2.95Å; I763-L766 WeakPolarHBondContact O-CB 3.2Å; I763-L766 PolarHBondContact O-N 2.72Å; I763-D767 WeakPolarHBondContact CG2-OD2 3.23Å; I763-D767 WeakPolarHBondContact O-CB 3.41Å; I763-D767 PolarHBondContact O-N 3.31Å |
| 764 | W | 81.8 | Confident | 78.4 | Confident | 185 Ų | 185 | 54 Ų | 54 | 70% | 0.701 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.5 | -29.4 | 179.8 | -169.4 | 68.7 | 0 | 0 | 0 | 113.6 | I762 I768 | I762-W764 PolarHBondContact O-N 3.19Å; W764-I768 HydrophobicContact CD2-CD1 3.78Å; W764-I768 HydrophobicContact CE3-CD1 4.19Å; W764-I768 HydrophobicContact CG-CD1 4.4Å; W764-I768 HydrophobicContact CH2-CD1 3.84Å; W764-I768 HydrophobicContact CZ2-CD1 3.38Å; W764-I768 HydrophobicContact CZ3-CD1 4.21Å; W764-I768 WeakPolarHBondContact O-CB 3.01Å; W764-I768 WeakPolarHBondContact O-CG1 3.24Å; W764-I768 PolarHBondContact O-N 2.92Å; W764-I768 VanDerWaalsContact O-N 3.09Å |
| 765 | I | 80 | Confident | 79.1 | Confident | 72 Ų | 72 | 56.4 Ų | 56.4 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.9 | -45 | 174.9 | -58.6 | -179.7 | 0 | 0 | 0 | 110.1 | M543 Q761 I762 I763 T769 | M543-I765 HydrophobicContact CE-CD1 4.28Å; M543-I765 HydrophobicContact CE-CG2 4.42Å; Q761-I765 WeakPolarHBondContact O-CD1 3.37Å; I762-I765 WeakPolarHBondContact O-CB 3.37Å; I762-I765 PolarHBondContact O-N 2.86Å; I762-I765 VanDerWaalsContact O-N 3.09Å; I763-I765 PolarHBondContact O-N 2.95Å; I765-T769 VanDerWaalsContact O-CB 3.24Å; I765-T769 WeakPolarHBondContact O-CB 3.23Å; I765-T769 PolarHBondContact O-N 3.05Å; I765-T769 PolarHBondContact O-OG1 3.45Å |
| 766 | L | 80.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -50.2 | 175.9 | -64.8 | 168.8 | 0 | 0 | 0 | 110.4 | L539 A540 I762 I763 I768 T769 M770 | L539-L766 HydrophobicContact CB-CD2 4.07Å; L539-L766 HydrophobicContact CD2-CD2 4.1Å; L539-L766 HydrophobicContact CG-CD2 4.15Å; A540-L766 HydrophobicContact CB-CD1 3.88Å; A540-L766 HydrophobicContact CB-CD2 4.13Å; I762-L766 HydrophobicContact CD1-CD1 4.45Å; I762-L766 HydrophobicContact CG1-CD1 4.04Å; I762-L766 HydrophobicContact CG1-CG 4.14Å; I762-L766 WeakPolarHBondContact O-CG 3.45Å; I762-L766 PolarHBondContact O-N 3.18Å; I763-L766 WeakPolarHBondContact O-CB 3.2Å; I763-L766 PolarHBondContact O-N 2.72Å; L766-I768 PolarHBondContact O-N 2.86Å; L766-T769 PolarHBondContact O-N 3.1Å; L766-T769 VanDerWaalsContact O-N 3.17Å; L766-M770 HydrophobicContact CB-SD 4.45Å; L766-M770 WeakPolarHBondContact O-CB 3.3Å; L766-M770 VanDerWaalsContact O-CG 3.28Å; L766-M770 WeakPolarHBondContact O-CG 2.94Å; L766-M770 PolarHBondContact O-N 3.46Å |
| 767 | D | 83.6 | Confident | 78.1 | Confident | 30 Ų | 30 | 57 Ų | 57 | 16% | 0.16 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -46.1 | -176.2 | -63.2 | -19 | 0 | 0 | 0 | 111.9 | I731 T735 I763 M770 A771 | I731-D767 HydrophobicContact CD1-CB 4.46Å; I731-D767 HydrophobicContact CG1-CB 4.3Å; I731-D767 HydrophobicContact CG2-CB 4.37Å; T735-D767 PolarHBondContact OG1-OD1 3Å; T735-D767 PolarHBondContact OG1-OD2 2.93Å; I763-D767 WeakPolarHBondContact CG2-OD2 3.23Å; I763-D767 WeakPolarHBondContact O-CB 3.41Å; I763-D767 PolarHBondContact O-N 3.31Å; D767-M770 PolarHBondContact O-N 3.3Å; D767-A771 WeakPolarHBondContact O-CB 3.22Å; D767-A771 PolarHBondContact O-N 3.04Å |
| 768 | I | 80.7 | Confident | 77.2 | Confident | 73 Ų | 73 | 55.5 Ų | 55.5 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 173.9 | -75.6 | -178.5 | 0 | 0 | 0 | 110.7 | W764 L766 M770 A771 V772 | W764-I768 HydrophobicContact CD2-CD1 3.78Å; W764-I768 HydrophobicContact CE3-CD1 4.19Å; W764-I768 HydrophobicContact CG-CD1 4.4Å; W764-I768 HydrophobicContact CH2-CD1 3.84Å; W764-I768 HydrophobicContact CZ2-CD1 3.38Å; W764-I768 HydrophobicContact CZ3-CD1 4.21Å; W764-I768 WeakPolarHBondContact O-CB 3.01Å; W764-I768 WeakPolarHBondContact O-CG1 3.24Å; W764-I768 PolarHBondContact O-N 2.92Å; W764-I768 VanDerWaalsContact O-N 3.09Å; L766-I768 PolarHBondContact O-N 2.86Å; I768-M770 PolarHBondContact O-N 2.83Å; I768-A771 PolarHBondContact O-N 3.4Å; I768-V772 HydrophobicContact CG2-CG2 3.98Å; I768-V772 WeakPolarHBondContact O-CB 3.34Å; I768-V772 VanDerWaalsContact O-CG2 3.3Å; I768-V772 WeakPolarHBondContact O-CG2 3.25Å; I768-V772 PolarHBondContact O-N 3.22Å |
| 769 | T | 74.7 | Confident | 76.5 | Confident | 66 Ų | 66 | 50 Ų | 50 | 41% | 0.405 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.8 | -33 | 179.7 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | L539 I765 L766 G773 | L539-T769 HydrophobicContact CD2-CG2 4.01Å; I765-T769 VanDerWaalsContact O-CB 3.24Å; I765-T769 WeakPolarHBondContact O-CB 3.23Å; I765-T769 PolarHBondContact O-N 3.05Å; I765-T769 PolarHBondContact O-OG1 3.45Å; L766-T769 PolarHBondContact O-N 3.1Å; L766-T769 VanDerWaalsContact O-N 3.17Å; T769-G773 WeakPolarHBondContact O-CA 3.46Å; T769-G773 PolarHBondContact O-N 2.86Å |
| 770 | M | 80.2 | Confident | 75.1 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -89.4 | -35.6 | -176.8 | -69.3 | 163.9 | 55.1 | 0 | 0 | 113.7 | L532 S727 P730 I731 L734 L766 D767 I768 G774 | L532-M770 HydrophobicContact CB-CE 4.42Å; L532-M770 WeakPolarHBondContact O-CE 2.94Å; S727-M770 WeakPolarHBondContact CB-O 3.46Å; P730-M770 HydrophobicContact CB-CE 3.17Å; P730-M770 HydrophobicContact CG-CE 4.48Å; I731-M770 HydrophobicContact CG1-CB 4.33Å; I731-M770 HydrophobicContact CG1-CE 4.44Å; L734-M770 HydrophobicContact CD1-CE 3.58Å; L734-M770 HydrophobicContact CD1-SD 3.38Å; L734-M770 WeakPolarHBondContact CD1-SD 3.46Å; L766-M770 HydrophobicContact CB-SD 4.45Å; L766-M770 WeakPolarHBondContact O-CB 3.3Å; L766-M770 VanDerWaalsContact O-CG 3.28Å; L766-M770 WeakPolarHBondContact O-CG 2.94Å; L766-M770 PolarHBondContact O-N 3.46Å; D767-M770 PolarHBondContact O-N 3.3Å; I768-M770 PolarHBondContact O-N 2.83Å; M770-G774 PolarHBondContact O-N 2.9Å |
| 771 | A | 80.5 | Confident | 73.7 | Confident | 29 Ų | 29 | 46.8 Ų | 46.8 | 24% | 0.24 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.1 | -48.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I731 D767 I768 Y775 | I731-A771 HydrophobicContact CD1-CB 4.08Å; D767-A771 WeakPolarHBondContact O-CB 3.22Å; D767-A771 PolarHBondContact O-N 3.04Å; I768-A771 PolarHBondContact O-N 3.4Å; A771-Y775 WeakPolarHBondContact O-CB 3.31Å; A771-Y775 PolarHBondContact O-N 3.03Å |
| 772 | V | 77.2 | Confident | 72 | Confident | 73 Ų | 73 | 43.9 Ų | 43.9 | 44% | 0.442 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.3 | -42.5 | 176 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | I768 L776 | I768-V772 HydrophobicContact CG2-CG2 3.98Å; I768-V772 WeakPolarHBondContact O-CB 3.34Å; I768-V772 VanDerWaalsContact O-CG2 3.3Å; I768-V772 WeakPolarHBondContact O-CG2 3.25Å; I768-V772 PolarHBondContact O-N 3.22Å; V772-L776 HydrophobicContact CG1-CD1 3.59Å; V772-L776 HydrophobicContact CG1-CG 3.95Å; V772-L776 WeakPolarHBondContact O-CB 3Å; V772-L776 VanDerWaalsContact O-CG 3.27Å; V772-L776 WeakPolarHBondContact O-CG 2.95Å; V772-L776 PolarHBondContact O-N 2.97Å |
| 773 | G | 70.3 | Confident | 70 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T769 I777 | T769-G773 WeakPolarHBondContact O-CA 3.46Å; T769-G773 PolarHBondContact O-N 2.86Å; G773-I777 VanDerWaalsContact O-CB 3.3Å; G773-I777 WeakPolarHBondContact O-CB 3.4Å; G773-I777 WeakPolarHBondContact O-CD1 3.42Å; G773-I777 WeakPolarHBondContact O-CG1 3.46Å; G773-I777 PolarHBondContact O-N 2.89Å |
| 774 | G | 71.8 | Confident | 68 | Low | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.5 | -54.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G723 M770 G778 | G723-G774 VanDerWaalsContact CA-O 3.3Å; G723-G774 WeakPolarHBondContact CA-O 2.82Å; M770-G774 PolarHBondContact O-N 2.9Å; G774-G778 PolarHBondContact O-N 2.75Å |
| 775 | Y | 79.4 | Confident | 66 | Low | 83 Ų | 83 | 41.4 Ų | 41.4 | 33% | 0.325 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 179.7 | -175.4 | -96.3 | 0 | 0 | 0 | 113 | L724 A771 G778 S779 | L724-Y775 HydrophobicContact CD1-CD2 3.73Å; L724-Y775 HydrophobicContact CD1-CE2 4.33Å; L724-Y775 HydrophobicContact CG-CD2 4.01Å; A771-Y775 WeakPolarHBondContact O-CB 3.31Å; A771-Y775 PolarHBondContact O-N 3.03Å; Y775-G778 PolarHBondContact O-N 2.9Å; Y775-S779 WeakPolarHBondContact O-CB 3.17Å; Y775-S779 PolarHBondContact O-N 2.75Å; Y775-S779 PolarHBondContact O-OG 3.41Å |
| 776 | L | 66.2 | Low | 64 | Low | 79 Ų | 79 | 40.4 Ų | 40.4 | 41% | 0.414 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.4 | -44.8 | 178.9 | -76.8 | -176.2 | 0 | 0 | 0 | 111.5 | V772 G778 S779 L780 | V772-L776 HydrophobicContact CG1-CD1 3.59Å; V772-L776 HydrophobicContact CG1-CG 3.95Å; V772-L776 WeakPolarHBondContact O-CB 3Å; V772-L776 VanDerWaalsContact O-CG 3.27Å; V772-L776 WeakPolarHBondContact O-CG 2.95Å; V772-L776 PolarHBondContact O-N 2.97Å; L776-G778 VanDerWaalsContact C-N 3.32Å; L776-G778 PolarHBondContact O-N 2.81Å; L776-S779 PolarHBondContact O-N 2.72Å; L776-S779 PolarHBondContact O-OG 2.65Å; L776-L780 HydrophobicContact CB-CD1 4.06Å; L776-L780 HydrophobicContact CD2-CD1 4.18Å; L776-L780 WeakPolarHBondContact O-CB 3.19Å; L776-L780 PolarHBondContact O-N 3.12Å |
| 777 | I | 62.9 | Low | 61.7 | Low | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.128 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.8 | -37.8 | 178.9 | -61.8 | 169.6 | 0 | 0 | 0 | 110.4 | I680 I683 G773 S779 A781 | I680-I777 HydrophobicContact CG1-CD1 3.6Å; I680-I777 HydrophobicContact CG1-CG1 3.89Å; I683-I777 HydrophobicContact CB-CG2 3.76Å; I683-I777 HydrophobicContact CD1-CD1 4.46Å; I683-I777 HydrophobicContact CD1-CG2 4.21Å; I683-I777 HydrophobicContact CG2-CG2 3.54Å; G773-I777 VanDerWaalsContact O-CB 3.3Å; G773-I777 WeakPolarHBondContact O-CB 3.4Å; G773-I777 WeakPolarHBondContact O-CD1 3.42Å; G773-I777 WeakPolarHBondContact O-CG1 3.46Å; G773-I777 PolarHBondContact O-N 2.89Å; I777-S779 VanDerWaalsContact C-N 3.26Å; I777-S779 PolarHBondContact O-N 3.27Å; I777-A781 WeakPolarHBondContact O-CB 3.09Å; I777-A781 PolarHBondContact O-N 3.24Å |
| 778 | G | 62.1 | Low | 59.2 | Low | 5 Ų | 5 | 44.1 Ų | 44.1 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.9 | -32.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G719 G774 Y775 L776 | G719-G778 CarbonylContact C-O 3.59Å; G719-G778 WeakPolarHBondContact CA-O 3.35Å; G719-G778 VanDerWaalsContact O-CA 3.29Å; G719-G778 WeakPolarHBondContact O-CA 3.29Å; G774-G778 PolarHBondContact O-N 2.75Å; Y775-G778 PolarHBondContact O-N 2.9Å; L776-G778 VanDerWaalsContact C-N 3.32Å; L776-G778 PolarHBondContact O-N 2.81Å |
| 779 | S | 66 | Low | 56.9 | Low | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.035 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -97.7 | -41.1 | -178.3 | 51 | 0 | 0 | 0 | 0 | 113.8 | Y775 L776 I777 A781 K782 | Y775-S779 WeakPolarHBondContact O-CB 3.17Å; Y775-S779 PolarHBondContact O-N 2.75Å; Y775-S779 PolarHBondContact O-OG 3.41Å; L776-S779 PolarHBondContact O-N 2.72Å; L776-S779 PolarHBondContact O-OG 2.65Å; I777-S779 VanDerWaalsContact C-N 3.26Å; I777-S779 PolarHBondContact O-N 3.27Å; S779-A781 PolarHBondContact O-N 3.12Å; S779-K782 PolarHBondContact O-N 2.82Å |
| 780 | L | 53 | Low | 54.8 | Low | 83 Ų | 83 | 48.1 Ų | 48.1 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.7 | -14 | 176.5 | -83.5 | 147.5 | 0 | 0 | 0 | 114.2 | L776 K782 T783 Q784 | L776-L780 HydrophobicContact CB-CD1 4.06Å; L776-L780 HydrophobicContact CD2-CD1 4.18Å; L776-L780 WeakPolarHBondContact O-CB 3.19Å; L776-L780 PolarHBondContact O-N 3.12Å; L780-K782 PolarHBondContact O-N 3.28Å; L780-K782 VanDerWaalsContact O-N 3.1Å; L780-T783 PolarHBondContact O-N 2.82Å; L780-Q784 PolarHBondContact O-N 3.34Å |
| 781 | A | 50.8 | Low | 52.2 | Low | 16 Ų | 16 | 56.7 Ų | 56.7 | 13% | 0.132 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -52.1 | -28.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I687 I777 S779 | I687-A781 HydrophobicContact CB-CB 4.24Å; I687-A781 HydrophobicContact CD1-CB 3.96Å; I687-A781 HydrophobicContact CG2-CB 3.86Å; I777-A781 WeakPolarHBondContact O-CB 3.09Å; I777-A781 PolarHBondContact O-N 3.24Å; S779-A781 PolarHBondContact O-N 3.12Å |
| 782 | K | 44.1 | Very low | 49.8 | Very low | 48 Ų | 48 | 59.6 Ų | 59.6 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -87.6 | -43.8 | 175.5 | -159.2 | 164.1 | -170.4 | 165.7 | 0 | 113.2 | R712 S779 L780 Q784 E785 D786 | R712-K782 PolarHBondContact O-NZ 3.35Å; S779-K782 PolarHBondContact O-N 2.82Å; L780-K782 PolarHBondContact O-N 3.28Å; L780-K782 VanDerWaalsContact O-N 3.1Å; K782-Q784 VanDerWaalsContact C-N 3.26Å; K782-Q784 PolarHBondContact O-N 2.86Å; K782-E785 WeakPolarHBondContact O-CB 3.39Å; K782-E785 PolarHBondContact O-N 2.93Å; K782-D786 PolarHBondContact O-N 2.74Å |
| 783 | T | 42.1 | Very low | 47.5 | Very low | 55 Ų | 55 | 61.2 Ų | 61.2 | 34% | 0.337 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.7 | -20.8 | 178.8 | 0.2 | 0 | 0 | 0 | 0 | 113.4 | L780 E785 L787 | L780-T783 PolarHBondContact O-N 2.82Å; T783-E785 VanDerWaalsContact C-N 3.27Å; T783-E785 PolarHBondContact O-N 3.22Å; T783-L787 WeakPolarHBondContact O-CB 3.38Å; T783-L787 PolarHBondContact O-N 3.02Å |
| 784 | Q | 40.8 | Very low | 45.5 | Very low | 67 Ų | 67 | 68.9 Ų | 68.9 | 31% | 0.313 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.2 | -35.1 | 166.9 | -96.6 | -64.6 | -87.8 | 0 | 0 | 112.1 | L780 K782 M788 | L780-Q784 PolarHBondContact O-N 3.34Å; K782-Q784 VanDerWaalsContact C-N 3.26Å; K782-Q784 PolarHBondContact O-N 2.86Å; Q784-M788 HydrophobicContact CB-CE 4Å; Q784-M788 HydrophobicContact CG-CE 4.46Å; Q784-M788 WeakPolarHBondContact O-CE 3.35Å; Q784-M788 WeakPolarHBondContact O-CG 3.26Å; Q784-M788 PolarHBondContact O-N 2.87Å |
| 785 | E | 39.8 | Very low | 43.5 | Very low | 36 Ų | 36 | 74.8 Ų | 74.8 | 17% | 0.168 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -73.2 | -48 | 178.2 | -149.9 | 148.5 | -118.1 | 0 | 0 | 110.2 | R688 K782 T783 L787 M788 I789 M1931 | R688-E785 IonicContact CZ-OE1 2.67Å; R688-E785 IonicContact NE-OE1 3.83Å; R688-E785 PolarHBondContact NE-OE1 3Å; R688-E785 VanDerWaalsContact NE-OE1 3.1Å; R688-E785 IonicContact NH2-OE1 3.69Å; R688-E785 PolarHBondContact NH2-OE1 3.42Å; K782-E785 WeakPolarHBondContact O-CB 3.39Å; K782-E785 PolarHBondContact O-N 2.93Å; T783-E785 VanDerWaalsContact C-N 3.27Å; T783-E785 PolarHBondContact O-N 3.22Å; E785-L787 PolarHBondContact O-N 2.75Å; E785-M788 PolarHBondContact O-N 3.09Å; E785-I789 HydrophobicContact CG-CD1 4.35Å; E785-I789 WeakPolarHBondContact O-CD1 3.43Å; E785-I789 WeakPolarHBondContact O-CG1 3.49Å; E785-I789 PolarHBondContact O-N 3Å; E785-M1931 VanDerWaalsContact CD-CE 3.47Å; E785-M1931 HydrophobicContact CG-CE 4.15Å; E785-M1931 HydrophobicContact CG-SD 4.33Å; E785-M1931 WeakPolarHBondContact OE1-CE 3.19Å |
| 786 | D | 36.9 | Very low | 41.1 | Very low | 51 Ų | 51 | 75.4 Ų | 75.4 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -52.6 | -38.3 | 171.6 | -80.2 | -48.6 | 0 | 0 | 0 | 112.4 | R712 K782 K790 | R712-D786 IonicContact CZ-OD1 3.81Å; R712-D786 VanDerWaalsContact NH1-CG 3.32Å; R712-D786 IonicContact NH1-OD1 4Å; R712-D786 PolarHBondContact NH1-OD1 3.25Å; R712-D786 IonicContact NH1-OD2 3.97Å; R712-D786 PolarHBondContact NH1-OD2 3.11Å; R712-D786 IonicContact NH2-OD1 2.82Å; K782-D786 PolarHBondContact O-N 2.74Å; D786-K790 PolarHBondContact O-N 2.98Å |
| 787 | L | 31.9 | Very low | 39.4 | Very low | 91 Ų | 91 | 76.6 Ų | 76.6 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -79.9 | -15.7 | 179.7 | -111.8 | 169.5 | 0 | 0 | 0 | 115.1 | T783 E785 | T783-L787 WeakPolarHBondContact O-CB 3.38Å; T783-L787 PolarHBondContact O-N 3.02Å; E785-L787 PolarHBondContact O-N 2.75Å |
| 788 | M | 31.4 | Very low | 37.7 | Very low | 17 Ų | 17 | 82.9 Ų | 82.9 | 8% | 0.084 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -83.3 | -44 | 170.5 | -69.1 | 160.9 | -162.6 | 0 | 0 | 110 | Q784 E785 K790 R791 R1928 | Q784-M788 HydrophobicContact CB-CE 4Å; Q784-M788 HydrophobicContact CG-CE 4.46Å; Q784-M788 WeakPolarHBondContact O-CE 3.35Å; Q784-M788 WeakPolarHBondContact O-CG 3.26Å; Q784-M788 PolarHBondContact O-N 2.87Å; E785-M788 PolarHBondContact O-N 3.09Å; M788-K790 PolarHBondContact O-N 3.28Å; M788-R791 PolarHBondContact O-N 3.39Å; M788-R1928 HydrophobicContact CE-CG 4.13Å |
| 789 | I | 33.6 | Very low | 36.1 | Very low | 47 Ų | 47 | 88.7 Ų | 88.7 | 24% | 0.241 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -56.5 | -37.9 | 176.8 | -66 | 166.4 | 0 | 0 | 0 | 111.3 | E785 M1931 | E785-I789 HydrophobicContact CG-CD1 4.35Å; E785-I789 WeakPolarHBondContact O-CD1 3.43Å; E785-I789 WeakPolarHBondContact O-CG1 3.49Å; E785-I789 PolarHBondContact O-N 3Å; I789-M1931 HydrophobicContact CD1-CB 3.95Å; I789-M1931 HydrophobicContact CG1-CB 3.78Å; I789-M1931 WeakPolarHBondContact CG1-O 3.45Å |
| 790 | K | 29.8 | Very low | 34.2 | Very low | 176 Ų | 176 | 93.4 Ų | 93.4 | 77% | 0.765 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 22 | -178 | -69 | -162.4 | 169 | -161.5 | 0 | 115.9 | D786 M788 | D786-K790 PolarHBondContact O-N 2.98Å; M788-K790 PolarHBondContact O-N 3.28Å |
| 791 | R | 26 | Very low | 33 | Very low | 184 Ų | 184 | 94 Ų | 94 | 69% | 0.694 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -136.9 | 9.9 | -178.2 | -98.3 | -170.2 | 176.1 | -135.9 | -3 | 117.4 | M788 | M788-R791 PolarHBondContact O-N 3.39Š|
| 792 | T | 29 | Very low | 31.7 | Very low | 90 Ų | 90 | 98.4 Ų | 98.4 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -89.1 | -16.8 | 171.4 | 47 | 0 | 0 | 0 | 0 | 114 | ||
| 793 | D | 29.7 | Very low | 30.9 | Very low | 107 Ų | 107 | 102.5 Ų | 102.5 | 57% | 0.572 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -95.4 | -4 | -170.6 | -62.3 | -12.7 | 0 | 0 | 0 | 114.1 | K1932 | D793-K1932 IonicContact OD1-NZ 2.8Å; D793-K1932 PolarHBondContact OD1-NZ 3.29Å; D793-K1932 WeakPolarHBondContact OD2-CE 3.28Å; D793-K1932 IonicContact OD2-NZ 2.7Å; D793-K1932 PolarHBondContact OD2-NZ 2.82Å |
| 794 | E | 27.3 | Very low | 30.1 | Very low | 181 Ų | 181 | 105.1 Ų | 105.1 | 85% | 0.846 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -137.7 | 81.7 | 177.8 | -71 | -174.1 | 175.9 | 0 | 0 | 111.4 | ||
| 795 | L | 29.8 | Very low | 29.3 | Very low | 125 Ų | 125 | 109.2 Ų | 109.2 | 65% | 0.654 | 55% | 0.552 | S | S | * | * | trans | -145.1 | 127.9 | 168.3 | -100.3 | 166.4 | 0 | 0 | 0 | 109 | E799 | L795-E799 VanDerWaalsContact CD2-OE2 3.26Å; L795-E799 WeakPolarHBondContact CD2-OE2 3.45Å | ||
| 796 | T | 30.7 | Very low | 28.5 | Very low | 95 Ų | 95 | 111.4 Ų | 111.4 | 58% | 0.583 | 58% | 0.577 | S | S | * | * | trans | -96.2 | 149.4 | -175.1 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | Q798 E799 | T796-Q798 PolarHBondContact O-N 2.83Å; T796-E799 PolarHBondContact O-N 3Å | ||
| 797 | P | 28.9 | Very low | 27.8 | Very low | 104 Ų | 104 | 120.1 Ų | 120.1 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59.1 | -19.7 | -169.6 | -29.5 | 36.7 | 0 | 0 | 0 | 117.3 | E799 L800 L801 | P797-E799 PolarHBondContact O-N 3.35Å; P797-L800 WeakPolarHBondContact O-CB 3.42Å; P797-L800 PolarHBondContact O-N 3.04Å; P797-L801 PolarHBondContact O-N 3.44Å |
| 798 | Q | 27.3 | Very low | 27.3 | Very low | 158 Ų | 158 | 122.2 Ų | 122.2 | 74% | 0.738 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.8 | -31.9 | -178.7 | -73.4 | -175 | -28.3 | 0 | 0 | 113.7 | T796 L800 T802 | T796-Q798 PolarHBondContact O-N 2.83Å; Q798-L800 VanDerWaalsContact C-N 3.29Å; Q798-T802 PolarHBondContact O-N 3.33Å; Q798-T802 PolarHBondContact O-OG1 2.66Å |
| 799 | E | 28.6 | Very low | 26.7 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 59% | 0.593 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -71.5 | -29.6 | 175.4 | -61 | -161.4 | 152.7 | 0 | 0 | 111.4 | L795 T796 P797 | L795-E799 VanDerWaalsContact CD2-OE2 3.26Å; L795-E799 WeakPolarHBondContact CD2-OE2 3.45Å; T796-E799 PolarHBondContact O-N 3Å; P797-E799 PolarHBondContact O-N 3.35Å |
| 800 | L | 26.9 | Very low | 26.1 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 54% | 0.539 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -72.2 | -46.3 | 176.8 | -122.1 | 162.3 | 0 | 0 | 0 | 112.1 | P797 Q798 T802 I803 L804 | P797-L800 WeakPolarHBondContact O-CB 3.42Å; P797-L800 PolarHBondContact O-N 3.04Å; Q798-L800 VanDerWaalsContact C-N 3.29Å; L800-T802 PolarHBondContact O-N 3.18Å; L800-I803 PolarHBondContact O-N 3.14Å; L800-L804 HydrophobicContact CD2-CD1 4.13Å; L800-L804 PolarHBondContact O-N 3.1Å |
| 801 | L | 26.7 | Very low | 25.6 | Very low | 95 Ų | 95 | 128.8 Ų | 128.8 | 50% | 0.497 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -57.6 | -39.1 | 178.8 | -173.2 | 65.1 | 0 | 0 | 0 | 112.2 | P797 I803 L804 Q805 | P797-L801 PolarHBondContact O-N 3.44Å; L801-I803 PolarHBondContact O-N 3.42Å; L801-L804 PolarHBondContact O-N 3.37Å; L801-Q805 HydrophobicContact CD1-CG 4.27Å; L801-Q805 PolarHBondContact O-N 2.99Å |
| 802 | T | 25 | Very low | 25.3 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 67% | 0.669 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -63.7 | -27.4 | -178.3 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | Q798 L800 | Q798-T802 PolarHBondContact O-N 3.33Å; Q798-T802 PolarHBondContact O-OG1 2.66Å; L800-T802 PolarHBondContact O-N 3.18Å |
| 803 | I | 27.4 | Very low | 24.8 | Very low | 135 Ų | 135 | 127.2 Ų | 127.2 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -84.3 | -33.2 | -179.3 | -65.3 | 173 | 0 | 0 | 0 | 111.5 | L800 L801 | L800-I803 PolarHBondContact O-N 3.14Å; L801-I803 PolarHBondContact O-N 3.42Å |
| 804 | L | 25.4 | Very low | 24.4 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 58% | 0.576 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -82 | -34.4 | -172.3 | -73.3 | 167.6 | 0 | 0 | 0 | 114.1 | L800 L801 A806 | L800-L804 HydrophobicContact CD2-CD1 4.13Å; L800-L804 PolarHBondContact O-N 3.1Å; L801-L804 PolarHBondContact O-N 3.37Å; L804-A806 PolarHBondContact O-N 3.31Å; L804-A806 VanDerWaalsContact O-N 3.13Å |
| 805 | Q | 23.4 | Very low | 24.2 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 71% | 0.71 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -6.7 | -173.7 | -69.3 | -173.1 | -21.4 | 0 | 0 | 115 | L801 R807 | L801-Q805 HydrophobicContact CD1-CG 4.27Å; L801-Q805 PolarHBondContact O-N 2.99Å; Q805-R807 PolarHBondContact O-N 2.9Å |
| 806 | A | 23.3 | Very low | 23.9 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 69% | 0.686 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 12.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | L804 | L804-A806 PolarHBondContact O-N 3.31Å; L804-A806 VanDerWaalsContact O-N 3.13Å |
| 807 | R | 21.9 | Very low | 23.3 | Very low | 233 Ų | 233 | 129.3 Ų | 129.3 | 88% | 0.879 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -135.4 | -10.8 | -167.7 | -95.5 | -173.8 | 172.1 | -171.8 | -3.3 | 120.7 | Q805 | Q805-R807 PolarHBondContact O-N 2.9Š|
| 808 | T | 20.7 | Very low | 23.1 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 83% | 0.834 | 68% | 0.684 | S | S | * | * | trans | -142.6 | 105.5 | -177 | 46.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 809 | A | 19.9 | Very low | 22.7 | Very low | 86 Ų | 86 | 129.8 Ų | 129.8 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | trans | -142 | 120.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 810 | V | 19.7 | Very low | 22.5 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | trans | -136 | 117.4 | 179.3 | 177 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 811 | F | 19.8 | Very low | 22.4 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 73% | 0.732 | 70% | 0.698 | S | S | * | * | trans | -89.4 | 139.8 | -178.5 | -75 | -94 | 0 | 0 | 0 | 112.7 | R857 | F811-R857 PolarHBondContact O-NH1 3.21Å; F811-R857 PolarHBondContact O-NH2 2.84Å | ||
| 812 | V | 20.1 | Very low | 22.3 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 65% | 0.648 | 71% | 0.713 | S | S | * | * | trans | -113.5 | 148.4 | 163.3 | 176.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 813 | V | 18.9 | Very low | 22.2 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | trans | -119.8 | 113 | -178.8 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 814 | E | 20.8 | Very low | 21.9 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | trans | -123.5 | 118.3 | 165.4 | -66.7 | -167.7 | 151.8 | 0 | 0 | 108.1 | ||||
| 815 | Q | 21.9 | Very low | 22 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 57% | 0.565 | 73% | 0.726 | S | S | * | * | trans | -163.2 | 141.2 | 167.1 | -138.7 | -176.7 | 12.3 | 0 | 0 | 113.6 | ||||
| 816 | E | 24.4 | Very low | 22.2 | Very low | 190 Ų | 190 | 136 Ų | 136 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | trans | -118.3 | 149.3 | 158.1 | -68.3 | -169.4 | 126.7 | 0 | 0 | 109.2 | ||||
| 817 | C | 18.9 | Very low | 22.2 | Very low | 84 Ų | 84 | 141.3 Ų | 141.3 | 57% | 0.568 | 73% | 0.729 | S | S | * | * | trans | -128.2 | 122.2 | -164.4 | 166.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 818 | P | 23.7 | Very low | 22.5 | Very low | 82 Ų | 82 | 134.8 Ų | 134.8 | 53% | 0.532 | 72% | 0.719 | S | S | . | * | trans | -132.9 | 109.9 | 164.9 | 34.4 | -18 | 0 | 0 | 0 | 115 | K1601 | P818-K1601 WeakPolarHBondContact O-CE 3.28Å; P818-K1601 PolarHBondContact O-NZ 3.35Å | ||
| 819 | Y | 20.2 | Very low | 22.7 | Very low | 190 Ų | 190 | 131.8 Ų | 131.8 | 75% | 0.745 | 71% | 0.708 | S | S | * | * | trans | 58.7 | 146.4 | 142.4 | -102.2 | -115.1 | 0 | 0 | 0 | 124.2 | K1601 | Y819-K1601 PolarHBondContact O-NZ 3.23Š| ||
| 820 | Q | 23.8 | Very low | 22.8 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | trans | 91.7 | 165.1 | 152.5 | -91.7 | 167.1 | -51.3 | 0 | 0 | 123.6 | ||||
| 821 | E | 25.3 | Very low | 23.2 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 73% | 0.729 | 70% | 0.701 | S | S | * | * | trans | -93.6 | 163.9 | -140.1 | -59.7 | 146.3 | 110.8 | 0 | 0 | 116.9 | ||||
| 822 | V | 24.4 | Very low | 23.4 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | 163.7 | 132.1 | 124.8 | 158.5 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 823 | D | 22.3 | Very low | 23.5 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 85% | 0.845 | 71% | 0.707 | S | S | * | * | trans | 31.4 | 161.4 | 151.3 | -63.1 | -22.4 | 0 | 0 | 0 | 128.5 | ||||
| 824 | E | 22.2 | Very low | 23.9 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 70% | 0.696 | 70% | 0.697 | S | S | * | * | trans | -100.5 | 132.4 | 172.7 | -56.5 | -176.3 | 88.5 | 0 | 0 | 112.8 | R827 | E824-R827 IonicContact OE1-CZ 2.86Å; E824-R827 IonicContact OE1-NH1 2.74Å; E824-R827 PolarHBondContact OE1-NH1 3.36Å | ||
| 825 | A | 27.1 | Very low | 24.1 | Very low | 81 Ų | 81 | 136.8 Ų | 136.8 | 67% | 0.669 | 70% | 0.699 | S | S | * | * | trans | -149.8 | -55.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R827 | A825-R827 PolarHBondContact O-N 2.66Š| ||
| 826 | D | 27.8 | Very low | 24.2 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -78.4 | 15.4 | -169.1 | -69.9 | -55 | 0 | 0 | 0 | 116 | S828 A829 | D826-S828 PolarHBondContact O-N 3.27Å; D826-A829 PolarHBondContact O-N 2.79Å |
| 827 | R | 23.5 | Very low | 24.1 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 74% | 0.736 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -57.8 | -17.7 | 171.9 | -106.7 | 178.4 | 170.4 | 165.7 | -1.8 | 113.7 | E824 A825 | E824-R827 IonicContact OE1-CZ 2.86Å; E824-R827 IonicContact OE1-NH1 2.74Å; E824-R827 PolarHBondContact OE1-NH1 3.36Å; A825-R827 PolarHBondContact O-N 2.66Å |
| 828 | S | 26.3 | Very low | 24.5 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -90 | -24.2 | -179.7 | -56.3 | 0 | 0 | 0 | 0 | 114.3 | D826 | D826-S828 PolarHBondContact O-N 3.27Š|
| 829 | A | 26.2 | Very low | 24.5 | Very low | 73 Ų | 73 | 142.1 Ų | 142.1 | 60% | 0.603 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -38 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D826 H831 | D826-A829 PolarHBondContact O-N 2.79Å; A829-H831 VanDerWaalsContact C-N 3.3Å; A829-H831 PolarHBondContact O-N 3.41Å |
| 830 | L | 22.5 | Very low | 24.6 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 64% | 0.644 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -19.7 | -179.1 | -155.2 | 73.6 | 0 | 0 | 0 | 113 | V832 I834 | L830-V832 VanDerWaalsContact C-N 3.28Å; L830-V832 PolarHBondContact O-N 3.06Å; L830-I834 HydrophobicContact CD2-CD1 4Å; L830-I834 HydrophobicContact CG-CD1 3.96Å |
| 831 | H | 26.6 | Very low | 24.7 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 67% | 0.667 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -12.3 | -165.3 | -141.9 | -48.4 | 0 | 0 | 0 | 114.7 | A829 | A829-H831 VanDerWaalsContact C-N 3.3Å; A829-H831 PolarHBondContact O-N 3.41Å |
| 832 | V | 25.6 | Very low | 24.7 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -25.1 | -179.3 | -179.3 | 0 | 0 | 0 | 0 | 112.7 | L830 | L830-V832 VanDerWaalsContact C-N 3.28Å; L830-V832 PolarHBondContact O-N 3.06Å |
| 833 | W | 22 | Very low | 24.7 | Very low | 209 Ų | 209 | 138.6 Ų | 138.6 | 79% | 0.792 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -13.9 | -178.6 | -160.5 | 70.4 | 0 | 0 | 0 | 114 | ||
| 834 | I | 25.8 | Very low | 24.7 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 60% | 0.595 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -77.9 | -22.4 | -176.6 | -72.8 | 174.5 | 0 | 0 | 0 | 113.2 | L830 | L830-I834 HydrophobicContact CD2-CD1 4Å; L830-I834 HydrophobicContact CG-CD1 3.96Å |
| 835 | E | 26.2 | Very low | 24.7 | Very low | 168 Ų | 168 | 137 Ų | 137 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -80.7 | -32 | -171.5 | -69.4 | -163 | 121.6 | 0 | 0 | 115.3 | ||
| 836 | E | 22.7 | Very low | 24.6 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -85.9 | -13.6 | -168.2 | -69.1 | -157.6 | 132.7 | 0 | 0 | 116.3 | ||
| 837 | N | 23.8 | Very low | 24.3 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 65% | 0.652 | 71% | 0.708 | S | S | * | * | trans | -125.5 | 55 | -172.5 | -84.3 | -74.5 | 0 | 0 | 0 | 115 | R839 | N837-R839 PolarHBondContact O-N 3.42Š| ||
| 838 | G | 25.6 | Very low | 24.3 | Very low | 63 Ų | 63 | 135.1 Ų | 135.1 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 47.1 | 179 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 839 | R | 23.7 | Very low | 24.1 | Very low | 225 Ų | 225 | 139 Ų | 139 | 85% | 0.849 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -15.8 | 174.6 | -78.7 | -174.7 | 170.9 | 175.7 | -1.2 | 115.5 | N837 Q841 | N837-R839 PolarHBondContact O-N 3.42Å; R839-Q841 VanDerWaalsContact C-N 3.27Å; R839-Q841 PolarHBondContact O-N 3.28Å |
| 840 | L | 24.2 | Very low | 23.9 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -23.6 | 174.3 | -97.7 | 154 | 0 | 0 | 0 | 113.8 | A842 Y843 A844 | L840-A842 PolarHBondContact O-N 3.19Å; L840-Y843 PolarHBondContact O-N 3.45Å; L840-A844 PolarHBondContact O-N 3.14Å |
| 841 | Q | 25.1 | Very low | 24 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 71% | 0.71 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -63.6 | -20.7 | 179 | -70.7 | -170.5 | -2.5 | 0 | 0 | 114.3 | R839 | R839-Q841 VanDerWaalsContact C-N 3.27Å; R839-Q841 PolarHBondContact O-N 3.28Å |
| 842 | A | 26.1 | Very low | 23.7 | Very low | 66 Ų | 66 | 147.6 Ų | 147.6 | 55% | 0.545 | 75% | 0.745 | S | S | . | * | H | α-helix | trans | -74.1 | -42.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L840 | L840-A842 PolarHBondContact O-N 3.19Å |
| 843 | Y | 23.2 | Very low | 23.6 | Very low | 187 Ų | 187 | 149.3 Ų | 149.3 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -76.4 | -40 | -176.8 | -107.7 | -83.1 | 0 | 0 | 0 | 112.7 | L840 R845 | L840-Y843 PolarHBondContact O-N 3.45Å; Y843-R845 PolarHBondContact O-N 2.82Å |
| 844 | A | 23.2 | Very low | 23.7 | Very low | 73 Ų | 73 | 147.8 Ų | 147.8 | 60% | 0.603 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -63.2 | -24.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L840 A848 | L840-A844 PolarHBondContact O-N 3.14Å; A844-A848 WeakPolarHBondContact O-CB 3.2Å |
| 845 | R | 22.2 | Very low | 23.6 | Very low | 202 Ų | 202 | 152.1 Ų | 152.1 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -11.9 | -172.5 | -148.9 | 173.9 | -166.8 | 168.4 | 5.6 | 115 | Y843 | Y843-R845 PolarHBondContact O-N 2.82Š|
| 846 | I | 23.4 | Very low | 23.4 | Very low | 144 Ų | 144 | 147.9 Ų | 147.9 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -18.9 | -179.1 | -65.4 | 176.4 | 0 | 0 | 0 | 112 | ||
| 847 | L | 21.9 | Very low | 23.4 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -104 | 14.6 | 179.2 | -67.7 | 172.9 | 0 | 0 | 0 | 113.7 | ||
| 848 | A | 23.4 | Very low | 23.3 | Very low | 76 Ų | 76 | 148.8 Ų | 148.8 | 63% | 0.628 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -114.3 | 11.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115 | A844 | A844-A848 WeakPolarHBondContact O-CB 3.2Š|
| 849 | E | 22 | Very low | 23 | Very low | 177 Ų | 177 | 153.4 Ų | 153.4 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -123.1 | 5.2 | -174.4 | -71.9 | -167.1 | 155.5 | 0 | 0 | 116.2 | ||
| 850 | E | 23.8 | Very low | 22.8 | Very low | 189 Ų | 189 | 149 Ų | 149 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -129.9 | 136.5 | 169.5 | -69.9 | -165.8 | 147.2 | 0 | 0 | 112.6 | ||
| 851 | E | 23.4 | Very low | 22.7 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 141.1 | -160.9 | -58.9 | 176.9 | 119.9 | 0 | 0 | 114.4 | ||
| 852 | T | 21 | Very low | 22.5 | Very low | 140 Ų | 140 | 150.1 Ų | 150.1 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -93 | 120.1 | -178.1 | -3.3 | 0 | 0 | 0 | 0 | 113 | ||
| 853 | I | 22.7 | Very low | 22.3 | Very low | 157 Ų | 157 | 155.8 Ų | 155.8 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 139.4 | -179.8 | -64.2 | 176.9 | 0 | 0 | 0 | 111.9 | ||
| 854 | H | 24.1 | Very low | 22.4 | Very low | 177 Ų | 177 | 157.1 Ų | 157.1 | 82% | 0.819 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72 | 144.6 | -174 | -57.5 | -65.1 | 0 | 0 | 0 | 115.3 | ||
| 855 | F | 23.4 | Very low | 22.4 | Very low | 207 Ų | 207 | 165.6 Ų | 165.6 | 91% | 0.908 | 82% | 0.818 | S | S | * | * | trans | -131.5 | 136.9 | 155.4 | -92.6 | -90.1 | 0 | 0 | 0 | 110.5 | ||||
| 856 | G | 22.9 | Very low | 22.5 | Very low | 79 Ų | 79 | 159.5 Ų | 159.5 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 155 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 857 | R | 22.6 | Very low | 22.8 | Very low | 182 Ų | 182 | 161.1 Ų | 161.1 | 69% | 0.687 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 155.2 | 179.2 | -63.2 | 176.3 | 176.5 | 174.9 | -3.7 | 111.6 | F811 | F811-R857 PolarHBondContact O-NH1 3.21Å; F811-R857 PolarHBondContact O-NH2 2.84Å |
| 858 | V | 20.8 | Very low | 23.1 | Very low | 136 Ų | 136 | 162.5 Ų | 162.5 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 142.8 | 178.7 | 177 | 0 | 0 | 0 | 0 | 110.7 | ||
| 859 | L | 19 | Very low | 23.3 | Very low | 160 Ų | 160 | 165.7 Ų | 165.7 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 137.9 | 173.9 | -98.2 | 125.9 | 0 | 0 | 0 | 111.2 | ||
| 860 | V | 21.1 | Very low | 23.5 | Very low | 134 Ų | 134 | 159.2 Ų | 159.2 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -125.9 | 127.2 | 171.1 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 861 | V | 21.1 | Very low | 23.6 | Very low | 135 Ų | 135 | 160 Ų | 160 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -105.1 | 118.1 | 179.7 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 862 | K | 21.5 | Very low | 23.8 | Very low | 189 Ų | 189 | 155.2 Ų | 155.2 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 118 | -180 | -157.2 | 172.9 | -174.1 | 178.6 | 0 | 109.3 | Y864 | K862-Y864 PolarHBondContact O-N 3.31Š|
| 863 | E | 22.5 | Very low | 24.2 | Very low | 185 Ų | 185 | 154.4 Ų | 154.4 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 118.5 | -172.5 | -169.6 | 175.4 | -159.9 | 0 | 0 | 111.7 | ||
| 864 | Y | 23.5 | Very low | 24.6 | Very low | 215 Ų | 215 | 151.1 Ų | 151.1 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 131.8 | -178.5 | -115.7 | -100.3 | 0 | 0 | 0 | 112.2 | K862 G866 | K862-Y864 PolarHBondContact O-N 3.31Å; Y864-G866 PolarHBondContact O-N 3.03Å |
| 865 | R | 23.9 | Very low | 24.9 | Very low | 251 Ų | 251 | 145.9 Ų | 145.9 | 95% | 0.947 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -70.1 | 113.5 | 173.6 | -70.1 | -178.9 | 176.1 | 177.1 | -0.2 | 110.2 | ||
| 866 | G | 24.8 | Very low | 25.2 | Very low | 74 Ų | 74 | 143.1 Ų | 143.1 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | trans | 113.7 | 36.4 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | Y864 | Y864-G866 PolarHBondContact O-N 3.03Š| ||
| 867 | Q | 28.5 | Very low | 25.6 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | trans | -129.7 | 132.6 | 154.1 | -73.5 | -157.5 | 2.7 | 0 | 0 | 112.8 | L869 | Q867-L869 VanDerWaalsContact C-N 3.31Å; Q867-L869 PolarHBondContact O-N 3.06Å | ||
| 868 | Q | 29 | Very low | 25.9 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 84% | 0.841 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -11.3 | -162.8 | -156.5 | 169.9 | 5 | 0 | 0 | 114.3 | ||
| 869 | L | 27.5 | Very low | 26.5 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -30.9 | -174.8 | -136.4 | 73.3 | 0 | 0 | 0 | 114 | Q867 R871 T872 | Q867-L869 VanDerWaalsContact C-N 3.31Å; Q867-L869 PolarHBondContact O-N 3.06Å; L869-R871 VanDerWaalsContact C-N 3.26Å; L869-R871 PolarHBondContact O-N 3.43Å; L869-T872 PolarHBondContact O-N 3.41Å; L869-T872 VanDerWaalsContact O-N 3.13Å |
| 870 | G | 26.4 | Very low | 27.2 | Very low | 42 Ų | 42 | 135.3 Ų | 135.3 | 43% | 0.433 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -60.7 | -32.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T872 I873 V874 | G870-T872 PolarHBondContact O-N 3.3Å; G870-T872 VanDerWaalsContact O-N 3.16Å; G870-I873 PolarHBondContact O-N 2.8Å; G870-V874 WeakPolarHBondContact O-CG2 3.49Å; G870-V874 PolarHBondContact O-N 2.8Å |
| 871 | R | 25.6 | Very low | 27.6 | Very low | 204 Ų | 204 | 132.5 Ų | 132.5 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -55.4 | -32.9 | 176.5 | -77.5 | -175 | 169.5 | -179.9 | -2.9 | 113 | L869 S875 | L869-R871 VanDerWaalsContact C-N 3.26Å; L869-R871 PolarHBondContact O-N 3.43Å; R871-S875 WeakPolarHBondContact O-CB 3.35Å; R871-S875 PolarHBondContact O-N 3.26Å; R871-S875 PolarHBondContact O-OG 3.34Å |
| 872 | T | 28.8 | Very low | 28.1 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 57% | 0.571 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75.2 | -35.6 | -176 | -49 | 0 | 0 | 0 | 0 | 112.5 | L869 G870 S875 K876 | L869-T872 PolarHBondContact O-N 3.41Å; L869-T872 VanDerWaalsContact O-N 3.13Å; G870-T872 PolarHBondContact O-N 3.3Å; G870-T872 VanDerWaalsContact O-N 3.16Å; T872-S875 PolarHBondContact O-OG 3.06Å; T872-K876 WeakPolarHBondContact O-CB 3.29Å; T872-K876 PolarHBondContact O-N 3.29Å |
| 873 | I | 29.5 | Very low | 28.8 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 63% | 0.626 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -78.7 | -49.7 | 176.7 | -61.4 | 178.6 | 0 | 0 | 0 | 109.8 | G870 S875 K876 T877 | G870-I873 PolarHBondContact O-N 2.8Å; I873-S875 VanDerWaalsContact C-N 3.33Å; I873-S875 PolarHBondContact O-N 2.84Å; I873-K876 PolarHBondContact O-N 2.92Å; I873-T877 PolarHBondContact O-N 2.97Å; I873-T877 PolarHBondContact O-OG1 3.11Å |
| 874 | V | 30.2 | Very low | 29.3 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 54% | 0.539 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -58.2 | -43.5 | -179.3 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | G870 K876 L878 | G870-V874 WeakPolarHBondContact O-CG2 3.49Å; G870-V874 PolarHBondContact O-N 2.8Å; V874-K876 PolarHBondContact O-N 2.81Å; V874-L878 HydrophobicContact CG1-CD1 3.96Å; V874-L878 WeakPolarHBondContact O-CB 3.33Å; V874-L878 PolarHBondContact O-N 2.98Å |
| 875 | S | 29.8 | Very low | 29.7 | Very low | 67 Ų | 67 | 123.7 Ų | 123.7 | 47% | 0.469 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.3 | -33.5 | 175.6 | 61 | 0 | 0 | 0 | 0 | 113.4 | R871 T872 I873 K879 | R871-S875 WeakPolarHBondContact O-CB 3.35Å; R871-S875 PolarHBondContact O-N 3.26Å; R871-S875 PolarHBondContact O-OG 3.34Å; T872-S875 PolarHBondContact O-OG 3.06Å; I873-S875 VanDerWaalsContact C-N 3.33Å; I873-S875 PolarHBondContact O-N 2.84Å; S875-K879 VanDerWaalsContact O-CB 3.23Å; S875-K879 WeakPolarHBondContact O-CB 3.47Å; S875-K879 PolarHBondContact O-N 2.77Å |
| 876 | K | 30.9 | Very low | 30 | Very low | 149 Ų | 149 | 116.8 Ų | 116.8 | 65% | 0.648 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71 | -41.5 | 177.3 | -161 | 176.8 | -174.9 | -173.9 | 0 | 111.5 | T872 I873 V874 K879 E880 | T872-K876 WeakPolarHBondContact O-CB 3.29Å; T872-K876 PolarHBondContact O-N 3.29Å; I873-K876 PolarHBondContact O-N 2.92Å; V874-K876 PolarHBondContact O-N 2.81Å; K876-K879 PolarHBondContact O-N 2.97Å; K876-E880 PolarHBondContact O-N 3.42Å |
| 877 | T | 30.4 | Very low | 30.1 | Very low | 75 Ų | 75 | 122.8 Ų | 122.8 | 46% | 0.46 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.5 | -41.4 | 175.5 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | I873 K879 E880 I881 | I873-T877 PolarHBondContact O-N 2.97Å; I873-T877 PolarHBondContact O-OG1 3.11Å; T877-K879 VanDerWaalsContact C-N 3.33Å; T877-K879 PolarHBondContact O-N 2.91Å; T877-E880 PolarHBondContact O-N 3.39Å; T877-I881 HydrophobicContact CG2-CD1 4.03Å; T877-I881 VanDerWaalsContact O-CG1 3.31Å; T877-I881 WeakPolarHBondContact O-CG1 3.32Å; T877-I881 PolarHBondContact O-N 2.99Å |
| 878 | L | 29.9 | Very low | 29.9 | Very low | 73 Ų | 73 | 124.8 Ų | 124.8 | 38% | 0.382 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -56.9 | -47.2 | 170.3 | -91.1 | 162.6 | 0 | 0 | 0 | 111.2 | V874 E880 I881 E882 | V874-L878 HydrophobicContact CG1-CD1 3.96Å; V874-L878 WeakPolarHBondContact O-CB 3.33Å; V874-L878 PolarHBondContact O-N 2.98Å; L878-E880 VanDerWaalsContact C-N 3.33Å; L878-E880 PolarHBondContact O-N 3.37Å; L878-I881 CarbonylContact O-C 3.58Å; L878-I881 PolarHBondContact O-N 2.7Å; L878-E882 WeakPolarHBondContact O-CG 3.48Å; L878-E882 PolarHBondContact O-N 2.87Å |
| 879 | K | 32.8 | Very low | 29.6 | Very low | 146 Ų | 146 | 121.7 Ų | 121.7 | 64% | 0.635 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.2 | -33.4 | -179.5 | -155.5 | 166.5 | -164.8 | 170.7 | 0 | 112.6 | S875 K876 T877 T883 | S875-K879 VanDerWaalsContact O-CB 3.23Å; S875-K879 WeakPolarHBondContact O-CB 3.47Å; S875-K879 PolarHBondContact O-N 2.77Å; K876-K879 PolarHBondContact O-N 2.97Å; T877-K879 VanDerWaalsContact C-N 3.33Å; T877-K879 PolarHBondContact O-N 2.91Å; K879-T883 VanDerWaalsContact O-CB 3.23Å; K879-T883 WeakPolarHBondContact O-CB 3.35Å; K879-T883 PolarHBondContact O-N 3Å; K879-T883 PolarHBondContact O-OG1 3.37Å |
| 880 | E | 32.8 | Very low | 29.4 | Very low | 98 Ų | 98 | 119.7 Ų | 119.7 | 46% | 0.458 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.7 | -40.3 | 168.2 | -84.9 | -162.3 | -155.3 | 0 | 0 | 112.7 | K876 T877 L878 T883 R884 | K876-E880 PolarHBondContact O-N 3.42Å; T877-E880 PolarHBondContact O-N 3.39Å; L878-E880 VanDerWaalsContact C-N 3.33Å; L878-E880 PolarHBondContact O-N 3.37Å; E880-T883 PolarHBondContact O-N 2.94Å; E880-R884 WeakPolarHBondContact O-CB 3.4Å; E880-R884 PolarHBondContact O-N 3.17Å; E880-R884 IonicContact OE2-CZ 3.04Å; E880-R884 IonicContact OE2-NH1 3.65Å; E880-R884 IonicContact OE2-NH2 2.8Å; E880-R884 PolarHBondContact OE2-NH2 3.18Å |
| 881 | I | 30.9 | Very low | 29.2 | Very low | 76 Ų | 76 | 123.5 Ų | 123.5 | 39% | 0.39 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.9 | -44.2 | 178.2 | -69.8 | 166.8 | 0 | 0 | 0 | 111 | T877 L878 T883 R884 Y885 | T877-I881 HydrophobicContact CG2-CD1 4.03Å; T877-I881 VanDerWaalsContact O-CG1 3.31Å; T877-I881 WeakPolarHBondContact O-CG1 3.32Å; T877-I881 PolarHBondContact O-N 2.99Å; L878-I881 CarbonylContact O-C 3.58Å; L878-I881 PolarHBondContact O-N 2.7Å; I881-T883 PolarHBondContact O-N 2.75Å; I881-R884 PolarHBondContact O-N 3.18Å; I881-Y885 PolarHBondContact O-N 3.33Å |
| 882 | E | 31.1 | Very low | 29.1 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 57% | 0.565 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.6 | -42.8 | 172.8 | -70.9 | -178 | 132.3 | 0 | 0 | 111.8 | L878 R884 Y885 P886 | L878-E882 WeakPolarHBondContact O-CG 3.48Å; L878-E882 PolarHBondContact O-N 2.87Å; E882-R884 VanDerWaalsContact C-N 3.33Å; E882-R884 PolarHBondContact O-N 2.87Å; E882-Y885 CarbonylContact O-C 3.59Å; E882-P886 WeakPolarHBondContact O-CA 3.27Å; E882-P886 WeakPolarHBondContact O-CB 3.47Å |
| 883 | T | 36 | Very low | 28.7 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 68% | 0.675 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.5 | -34.1 | 177.5 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | K879 E880 I881 | K879-T883 VanDerWaalsContact O-CB 3.23Å; K879-T883 WeakPolarHBondContact O-CB 3.35Å; K879-T883 PolarHBondContact O-N 3Å; K879-T883 PolarHBondContact O-OG1 3.37Å; E880-T883 PolarHBondContact O-N 2.94Å; I881-T883 PolarHBondContact O-N 2.75Å |
| 884 | R | 32.3 | Very low | 28.4 | Very low | 147 Ų | 147 | 117.8 Ų | 117.8 | 56% | 0.555 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -83.4 | -26 | -178.4 | -163.6 | 170.3 | -64.5 | 145.4 | 11.3 | 112.8 | E880 I881 E882 | E880-R884 WeakPolarHBondContact O-CB 3.4Å; E880-R884 PolarHBondContact O-N 3.17Å; E880-R884 IonicContact OE2-CZ 3.04Å; E880-R884 IonicContact OE2-NH1 3.65Å; E880-R884 IonicContact OE2-NH2 2.8Å; E880-R884 PolarHBondContact OE2-NH2 3.18Å; I881-R884 PolarHBondContact O-N 3.18Å; E882-R884 VanDerWaalsContact C-N 3.33Å; E882-R884 PolarHBondContact O-N 2.87Å |
| 885 | Y | 32.2 | Very low | 28.1 | Very low | 161 Ų | 161 | 122.9 Ų | 122.9 | 63% | 0.631 | 63% | 0.628 | S | S | * | * | trans | -135.3 | 59.7 | -179.2 | -57.2 | -70.6 | 0 | 0 | 0 | 113.8 | I881 E882 K887 | I881-Y885 PolarHBondContact O-N 3.33Å; E882-Y885 CarbonylContact O-C 3.59Å; Y885-K887 PolarHBondContact O-N 3.09Å | ||
| 886 | P | 30.4 | Very low | 27.8 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 68% | 0.682 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 29.9 | -172.5 | 32.3 | -39.1 | 0 | 0 | 0 | 115.3 | E882 | E882-P886 WeakPolarHBondContact O-CA 3.27Å; E882-P886 WeakPolarHBondContact O-CB 3.47Å |
| 887 | K | 27.9 | Very low | 27.6 | Very low | 200 Ų | 200 | 124.8 Ų | 124.8 | 87% | 0.87 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.7 | 10 | -177.6 | -76.2 | -162.9 | 174.1 | -173.8 | 0 | 115.8 | Y885 | Y885-K887 PolarHBondContact O-N 3.09Š|
| 888 | R | 23 | Very low | 27.3 | Very low | 221 Ų | 221 | 128 Ų | 128 | 83% | 0.834 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -129.9 | 113.8 | 167.2 | -73.8 | -170.2 | 174.6 | -174 | -1.2 | 109.8 | V890 | R888-V890 PolarHBondContact O-N 2.87Š|
| 889 | P | 24 | Very low | 27.3 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 74% | 0.74 | 67% | 0.671 | S | S | * | * | trans | -69.9 | 127.9 | 179.6 | 28.4 | -33.3 | 0 | 0 | 0 | 110.3 | V891 | P889-V891 HydrophobicContact CB-CG2 4.43Å; P889-V891 PolarHBondContact O-N 3.49Å; P889-V891 VanDerWaalsContact O-N 3.11Å | ||
| 890 | V | 23.5 | Very low | 27.5 | Very low | 100 Ų | 100 | 121.5 Ų | 121.5 | 61% | 0.606 | 65% | 0.646 | S | S | * | * | trans | -79.8 | 90 | 172.7 | -178.2 | 0 | 0 | 0 | 0 | 108 | R888 I892 | R888-V890 PolarHBondContact O-N 2.87Å; V890-I892 HydrophobicContact CG1-CG1 4.3Å; V890-I892 PolarHBondContact O-N 3.39Å | ||
| 891 | V | 21.6 | Very low | 27.5 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 75% | 0.745 | 64% | 0.635 | S | S | * | * | trans | -77.7 | 105 | 179 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | P889 | P889-V891 HydrophobicContact CB-CG2 4.43Å; P889-V891 PolarHBondContact O-N 3.49Å; P889-V891 VanDerWaalsContact O-N 3.11Å | ||
| 892 | I | 22.9 | Very low | 27.7 | Very low | 141 Ų | 141 | 123 Ų | 123 | 72% | 0.723 | 65% | 0.652 | S | S | * | * | trans | -87.1 | 108.8 | 173 | -56.7 | 174.3 | 0 | 0 | 0 | 107.8 | V890 A894 | V890-I892 HydrophobicContact CG1-CG1 4.3Å; V890-I892 PolarHBondContact O-N 3.39Å; I892-A894 PolarHBondContact O-N 2.75Å | ||
| 893 | S | 21.9 | Very low | 28.1 | Very low | 68 Ų | 68 | 123.7 Ų | 123.7 | 48% | 0.476 | 66% | 0.656 | S | S | . | * | trans | -79.3 | 79.9 | -172 | 59 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 894 | A | 22.7 | Very low | 28.5 | Very low | 89 Ų | 89 | 121.6 Ų | 121.6 | 74% | 0.736 | 64% | 0.635 | S | S | * | * | trans | -105 | 56.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I892 | I892-A894 PolarHBondContact O-N 2.75Š| ||
| 895 | Q | 23.4 | Very low | 29 | Very low | 196 Ų | 196 | 116.7 Ų | 116.7 | 92% | 0.916 | 62% | 0.62 | S | S | * | * | trans | -157.4 | 72.7 | -178.5 | -122.6 | 171.1 | 20.8 | 0 | 0 | 114.7 | ||||
| 896 | A | 24.2 | Very low | 29.3 | Very low | 77 Ų | 77 | 110.9 Ų | 110.9 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | trans | -142.4 | 77.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 897 | H | 25.1 | Very low | 29.9 | Very low | 180 Ų | 180 | 109.5 Ų | 109.5 | 83% | 0.833 | 58% | 0.584 | S | S | * | * | trans | -160.7 | 35.2 | -171.2 | -116.6 | 61.9 | 0 | 0 | 0 | 114.5 | ||||
| 898 | L | 25.8 | Very low | 30.7 | Very low | 143 Ų | 143 | 100.6 Ų | 100.6 | 75% | 0.749 | 55% | 0.546 | S | S | * | . | trans | -141.8 | 10.8 | -174.6 | -86.9 | 175.4 | 0 | 0 | 0 | 115.6 | ||||
| 899 | G | 29.7 | Very low | 31.8 | Very low | 62 Ų | 62 | 93 Ų | 93 | 64% | 0.639 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -102.2 | 140.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109 | S901 | G899-S901 PolarHBondContact O-N 3.43Š|
| 900 | I | 36 | Very low | 32.7 | Very low | 19 Ų | 19 | 93.1 Ų | 93.1 | 10% | 0.097 | 51% | 0.512 | C | S | . | . | trans | -53.9 | 112.9 | 175.1 | -74.6 | 173.5 | 0 | 0 | 0 | 109.1 | R904 I905 F1048 R1058 | I900-R904 HydrophobicContact CB-CB 4.37Å; I900-R904 HydrophobicContact CG1-CB 4.41Å; I900-R904 HydrophobicContact CG2-CB 3.81Å; I900-I905 HydrophobicContact CG2-CD1 4.36Å; I900-I905 HydrophobicContact CG2-CG1 3.69Å; I900-F1048 HydrophobicContact CB-CE1 4.41Å; I900-F1048 HydrophobicContact CD1-CD1 4.47Å; I900-F1048 HydrophobicContact CD1-CE1 4.08Å; I900-R1058 PolarHBondContact O-NH1 2.93Å | ||
| 901 | S | 34.1 | Very low | 33.8 | Very low | 35 Ų | 35 | 89.3 Ų | 89.3 | 25% | 0.245 | 49% | 0.487 | C | S | . | . | trans | -76.6 | 173.5 | 171.9 | 60.7 | 0 | 0 | 0 | 0 | 110.5 | G899 E903 R904 I905 | G899-S901 PolarHBondContact O-N 3.43Å; S901-E903 WeakPolarHBondContact CB-OE2 3.16Å; S901-E903 PolarHBondContact O-N 2.75Å; S901-E903 PolarHBondContact OG-OE2 2.97Å; S901-R904 PolarHBondContact O-N 2.73Å; S901-R904 VanDerWaalsContact O-N 3.16Å; S901-R904 PolarHBondContact OG-N 2.87Å; S901-I905 PolarHBondContact O-N 3.15Å | ||
| 902 | K | 35.1 | Very low | 35 | Very low | 170 Ų | 170 | 88.5 Ų | 88.5 | 74% | 0.739 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.3 | -33.9 | 173.9 | -147.1 | -177.1 | -176.3 | -169.5 | 0 | 110.4 | R904 I905 F906 | K902-R904 PolarHBondContact O-N 3.24Å; K902-I905 PolarHBondContact O-N 3.17Å; K902-F906 PolarHBondContact O-N 2.85Å; K902-F906 VanDerWaalsContact O-N 3.15Å |
| 903 | E | 38.4 | Very low | 36.4 | Very low | 137 Ų | 137 | 84.9 Ų | 84.9 | 64% | 0.64 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.2 | -42.4 | 174.7 | -50.3 | 140 | 124 | 0 | 0 | 111.7 | S901 I905 F906 D907 | S901-E903 WeakPolarHBondContact CB-OE2 3.16Å; S901-E903 PolarHBondContact O-N 2.75Å; S901-E903 PolarHBondContact OG-OE2 2.97Å; E903-I905 VanDerWaalsContact C-N 3.34Å; E903-I905 PolarHBondContact O-N 3.29Å; E903-F906 CarbonylContact O-C 3.59Å; E903-F906 VanDerWaalsContact O-CA 3.26Å; E903-F906 WeakPolarHBondContact O-CA 3.4Å; E903-F906 VanDerWaalsContact O-CB 3.25Å; E903-F906 WeakPolarHBondContact O-CB 3.46Å; E903-F906 PolarHBondContact O-N 3.24Å; E903-D907 PolarHBondContact O-N 3.32Å |
| 904 | R | 45.3 | Very low | 37.9 | Very low | 66 Ų | 66 | 82.5 Ų | 82.5 | 25% | 0.249 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -70.7 | -24.3 | 178.1 | -95.7 | -167.1 | 171.6 | -137.7 | -11.6 | 114.9 | I900 S901 K902 F906 L908 S1121 Q1122 Q1123 | I900-R904 HydrophobicContact CB-CB 4.37Å; I900-R904 HydrophobicContact CG1-CB 4.41Å; I900-R904 HydrophobicContact CG2-CB 3.81Å; S901-R904 PolarHBondContact O-N 2.73Å; S901-R904 VanDerWaalsContact O-N 3.16Å; S901-R904 PolarHBondContact OG-N 2.87Å; K902-R904 PolarHBondContact O-N 3.24Å; R904-F906 VanDerWaalsContact C-N 3.25Å; R904-L908 PolarHBondContact O-N 2.75Å; R904-L908 VanDerWaalsContact O-N 3.07Å; R904-S1121 PolarHBondContact NH1-O 3.16Å; R904-Q1122 PolarHBondContact NH1-O 3.2Å; R904-Q1123 VanDerWaalsContact CZ-O 3.24Å; R904-Q1123 PolarHBondContact NH1-O 3Å; R904-Q1123 PolarHBondContact NH2-O 3.12Å |
| 905 | I | 42.6 | Very low | 39.5 | Very low | 44 Ų | 44 | 80.4 Ų | 80.4 | 23% | 0.226 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -71.4 | -29.8 | 167.3 | -57.7 | 179.5 | 0 | 0 | 0 | 109.5 | I900 S901 K902 E903 L908 K909 | I900-I905 HydrophobicContact CG2-CD1 4.36Å; I900-I905 HydrophobicContact CG2-CG1 3.69Å; S901-I905 PolarHBondContact O-N 3.15Å; K902-I905 PolarHBondContact O-N 3.17Å; E903-I905 VanDerWaalsContact C-N 3.34Å; E903-I905 PolarHBondContact O-N 3.29Å; I905-L908 WeakPolarHBondContact O-CB 3.42Å; I905-K909 PolarHBondContact O-N 3.12Å; I905-K909 VanDerWaalsContact O-N 3.13Å |
| 906 | F | 37.3 | Very low | 41.4 | Very low | 39 Ų | 39 | 71.6 Ų | 71.6 | 17% | 0.171 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -76.3 | -35.3 | 172.3 | -152.5 | -89 | 0 | 0 | 0 | 113.5 | K902 E903 R904 L908 K909 M910 E1560 | K902-F906 PolarHBondContact O-N 2.85Å; K902-F906 VanDerWaalsContact O-N 3.15Å; E903-F906 CarbonylContact O-C 3.59Å; E903-F906 VanDerWaalsContact O-CA 3.26Å; E903-F906 WeakPolarHBondContact O-CA 3.4Å; E903-F906 VanDerWaalsContact O-CB 3.25Å; E903-F906 WeakPolarHBondContact O-CB 3.46Å; E903-F906 PolarHBondContact O-N 3.24Å; R904-F906 VanDerWaalsContact C-N 3.25Å; F906-L908 VanDerWaalsContact C-N 3.28Å; F906-L908 PolarHBondContact O-N 2.59Å; F906-K909 HydrophobicContact CD2-CD 4.49Å; F906-K909 HydrophobicContact CE2-CD 4.32Å; F906-K909 CarbonylContact O-C 3.58Å; F906-K909 WeakPolarHBondContact O-CA 3.35Å; F906-K909 WeakPolarHBondContact O-CB 3.46Å; F906-K909 PolarHBondContact O-N 2.99Å; F906-K909 VanDerWaalsContact O-N 3.08Å; F906-M910 HydrophobicContact CD1-CG 3.95Å; F906-M910 HydrophobicContact CD1-SD 3.94Å; F906-M910 HydrophobicContact CE1-CG 3.67Å; F906-M910 HydrophobicContact CE1-SD 3.72Å; F906-M910 PolarHBondContact O-N 3.48Å; F906-E1560 WeakPolarHBondContact CD2-OE1 3.48Å; F906-E1560 WeakPolarHBondContact CE2-OE1 3.44Å; F906-E1560 WeakPolarHBondContact CG-OE1 3.49Å; F906-E1560 WeakPolarHBondContact CZ-OE1 3.04Å |
| 907 | D | 43.6 | Very low | 43.1 | Very low | 75 Ų | 75 | 71.2 Ų | 71.2 | 40% | 0.401 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 168.2 | -67.3 | -34.2 | 0 | 0 | 0 | 109.9 | E903 K909 M910 Q911 | E903-D907 PolarHBondContact O-N 3.32Å; D907-K909 VanDerWaalsContact C-N 3.34Å; D907-K909 PolarHBondContact O-N 3.12Å; D907-M910 CarbonylContact O-C 3.56Å; D907-M910 WeakPolarHBondContact O-CA 3.35Å; D907-M910 PolarHBondContact O-N 3.41Å; D907-Q911 WeakPolarHBondContact O-CG 3.43Å; D907-Q911 PolarHBondContact O-N 3.32Å |
| 908 | L | 45.1 | Very low | 44.9 | Very low | 14 Ų | 14 | 67.5 Ų | 67.5 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57 | -40.9 | 171 | -99.4 | 169.4 | 0 | 0 | 0 | 113 | R904 I905 F906 M1117 | R904-L908 PolarHBondContact O-N 2.75Å; R904-L908 VanDerWaalsContact O-N 3.07Å; I905-L908 WeakPolarHBondContact O-CB 3.42Å; F906-L908 VanDerWaalsContact C-N 3.28Å; F906-L908 PolarHBondContact O-N 2.59Å; L908-M1117 HydrophobicContact CD2-CB 4.1Å |
| 909 | K | 45.9 | Very low | 46.9 | Very low | 62 Ų | 62 | 64.9 Ų | 64.9 | 27% | 0.27 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.2 | -34.7 | 171.1 | -80.4 | -162.1 | 171 | -165.1 | 0 | 112.5 | I905 F906 D907 D1153 E1155 | I905-K909 PolarHBondContact O-N 3.12Å; I905-K909 VanDerWaalsContact O-N 3.13Å; F906-K909 HydrophobicContact CD2-CD 4.49Å; F906-K909 HydrophobicContact CE2-CD 4.32Å; F906-K909 CarbonylContact O-C 3.58Å; F906-K909 WeakPolarHBondContact O-CA 3.35Å; F906-K909 WeakPolarHBondContact O-CB 3.46Å; F906-K909 PolarHBondContact O-N 2.99Å; F906-K909 VanDerWaalsContact O-N 3.08Å; D907-K909 VanDerWaalsContact C-N 3.34Å; D907-K909 PolarHBondContact O-N 3.12Å; K909-D1153 WeakPolarHBondContact CE-O 3.15Å; K909-E1155 IonicContact NZ-OE1 2.64Å; K909-E1155 PolarHBondContact NZ-OE1 2.89Å |
| 910 | M | 42.6 | Very low | 48.6 | Very low | 116 Ų | 116 | 62.1 Ų | 62.1 | 57% | 0.571 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -83.2 | -12.4 | 179.3 | -80.2 | -170.2 | 58.7 | 0 | 0 | 114.7 | F906 D907 T912 | F906-M910 HydrophobicContact CD1-CG 3.95Å; F906-M910 HydrophobicContact CD1-SD 3.94Å; F906-M910 HydrophobicContact CE1-CG 3.67Å; F906-M910 HydrophobicContact CE1-SD 3.72Å; F906-M910 PolarHBondContact O-N 3.48Å; D907-M910 CarbonylContact O-C 3.56Å; D907-M910 WeakPolarHBondContact O-CA 3.35Å; D907-M910 PolarHBondContact O-N 3.41Å; M910-T912 VanDerWaalsContact C-N 3.29Å; M910-T912 PolarHBondContact O-N 3Å |
| 911 | Q | 47.3 | Very low | 50.1 | Low | 19 Ų | 19 | 65.7 Ų | 65.7 | 9% | 0.089 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -65.9 | 87.6 | 173.5 | -83.6 | 178.5 | 17.3 | 0 | 0 | 110 | D907 K913 M1117 E1126 | D907-Q911 WeakPolarHBondContact O-CG 3.43Å; D907-Q911 PolarHBondContact O-N 3.32Å; Q911-K913 PolarHBondContact O-N 2.78Å; Q911-M1117 WeakPolarHBondContact O-CE 3.29Å; Q911-E1126 PolarHBondContact NE2-OE1 2.82Å |
| 912 | T | 45.4 | Very low | 51.9 | Low | 106 Ų | 106 | 69.2 Ų | 69.2 | 65% | 0.65 | 35% | 0.35 | S | S | * | . | trans | -49 | 121.1 | 178.4 | 50.4 | 0 | 0 | 0 | 0 | 110.8 | M910 I914 | M910-T912 VanDerWaalsContact C-N 3.29Å; M910-T912 PolarHBondContact O-N 3Å; T912-I914 WeakPolarHBondContact O-CG1 3.02Å; T912-I914 PolarHBondContact O-N 2.93Å | ||
| 913 | K | 52.9 | Low | 53.7 | Low | 65 Ų | 65 | 62.8 Ų | 62.8 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | trans | -45.2 | 110.5 | -172.2 | -77.4 | -179.8 | 168.3 | -178 | 0 | 111.8 | Q911 G915 M916 N917 E953 S954 M1117 | Q911-K913 PolarHBondContact O-N 2.78Å; K913-G915 PolarHBondContact O-N 2.78Å; K913-M916 HydrophobicContact CB-CB 4.5Å; K913-M916 PolarHBondContact O-N 3.34Å; K913-N917 PolarHBondContact O-ND2 2.82Å; K913-E953 PolarHBondContact NZ-O 2.76Å; K913-S954 PolarHBondContact NZ-O 2.78Å; K913-M1117 HydrophobicContact CG-CE 3.84Å | ||
| 914 | I | 53.7 | Low | 55.1 | Low | 18 Ų | 18 | 58 Ų | 58 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 114.7 | -159.6 | -59.4 | -176.6 | 0 | 0 | 0 | 108.3 | T912 M916 N1113 L1116 Y1129 F1134 | T912-I914 WeakPolarHBondContact O-CG1 3.02Å; T912-I914 PolarHBondContact O-N 2.93Å; I914-M916 PolarHBondContact O-N 3.1Å; I914-M916 VanDerWaalsContact O-N 3.13Å; I914-N1113 WeakPolarHBondContact CB-OD1 3.15Å; I914-N1113 PolarHBondContact N-OD1 3.13Å; I914-L1116 HydrophobicContact CD1-CB 4.38Å; I914-L1116 HydrophobicContact CG2-CD1 4.46Å; I914-Y1129 VanDerWaalsContact CG2-CA 3.46Å; I914-Y1129 HydrophobicContact CG2-CD2 4.07Å; I914-Y1129 HydrophobicContact CG2-CG 4.35Å; I914-F1134 HydrophobicContact CG2-CE2 4.23Å; I914-F1134 HydrophobicContact CG2-CZ 4.45Å; I914-F1134 VanDerWaalsContact O-CZ 3.31Å; I914-F1134 WeakPolarHBondContact O-CZ 3.14Å |
| 915 | G | 55.3 | Low | 56.5 | Low | 46 Ų | 46 | 62.1 Ų | 62.1 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | -25.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | K913 Y1129 | K913-G915 PolarHBondContact O-N 2.78Å; G915-Y1129 VanDerWaalsContact CA-CD2 3.4Å; G915-Y1129 VanDerWaalsContact CA-CE2 3.46Å |
| 916 | M | 63.1 | Low | 57.8 | Low | 11 Ų | 11 | 61.5 Ų | 61.5 | 5% | 0.054 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -19.5 | -166.5 | -60.4 | -174.5 | 78.7 | 0 | 0 | 115.9 | K913 I914 V918 E919 V920 L956 T1110 N1113 | K913-M916 HydrophobicContact CB-CB 4.5Å; K913-M916 PolarHBondContact O-N 3.34Å; I914-M916 PolarHBondContact O-N 3.1Å; I914-M916 VanDerWaalsContact O-N 3.13Å; M916-V918 VanDerWaalsContact C-N 3.33Å; M916-V918 PolarHBondContact O-N 2.78Å; M916-E919 PolarHBondContact O-N 2.73Å; M916-E919 VanDerWaalsContact O-N 3.17Å; M916-V920 PolarHBondContact O-N 3.31Å; M916-V920 VanDerWaalsContact O-N 3.12Å; M916-L956 HydrophobicContact CE-CB 3.63Å; M916-L956 HydrophobicContact CE-CD2 3.77Å; M916-L956 HydrophobicContact CE-CG 4.25Å; M916-T1110 HydrophobicContact CE-CG2 4.1Å; M916-T1110 WeakPolarHBondContact CE-OG1 3.46Å; M916-T1110 HydrophobicContact SD-CG2 4.41Å; M916-N1113 HydrophobicContact CG-CB 4.32Å; M916-N1113 HydrophobicContact SD-CB 3.67Å; M916-N1113 PolarHBondContact SD-ND2 2.84Å; M916-N1113 VanDerWaalsContact SD-ND2 3.37Å |
| 917 | N | 61.2 | Low | 59.1 | Low | 68 Ų | 68 | 60.5 Ų | 60.5 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.7 | -38.8 | -166.7 | -73.9 | -34.7 | 0 | 0 | 0 | 114.9 | K913 Q921 | K913-N917 PolarHBondContact O-ND2 2.82Å; N917-Q921 WeakPolarHBondContact O-CB 3.24Å; N917-Q921 WeakPolarHBondContact O-CG 3.11Å; N917-Q921 PolarHBondContact O-N 2.74Å |
| 918 | V | 62.7 | Low | 60 | Low | 102 Ų | 102 | 60.5 Ų | 60.5 | 62% | 0.618 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.6 | -44.9 | -179.1 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | M916 Q921 Q922 | M916-V918 VanDerWaalsContact C-N 3.33Å; M916-V918 PolarHBondContact O-N 2.78Å; V918-Q921 PolarHBondContact O-N 2.82Å; V918-Q922 WeakPolarHBondContact O-CG 3.41Å; V918-Q922 PolarHBondContact O-N 2.71Å |
| 919 | E | 67.3 | Low | 61.2 | Low | 89 Ų | 89 | 69.3 Ų | 69.3 | 42% | 0.416 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.3 | -40.2 | -176.9 | -163.6 | 60.8 | -165.1 | 0 | 0 | 111.7 | M916 Q921 Q922 Q923 L956 | M916-E919 PolarHBondContact O-N 2.73Å; M916-E919 VanDerWaalsContact O-N 3.17Å; E919-Q921 PolarHBondContact O-N 2.84Å; E919-Q922 PolarHBondContact O-N 2.78Å; E919-Q922 PolarHBondContact OE2-NE2 3.05Å; E919-Q923 WeakPolarHBondContact O-CG 3.37Å; E919-Q923 PolarHBondContact O-N 3.37Å; E919-L956 HydrophobicContact CB-CD1 4.11Å; E919-L956 HydrophobicContact CG-CD1 3.72Å |
| 920 | V | 65.7 | Low | 61.8 | Low | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.018 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 170.9 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | M916 Q922 Q923 Q924 L956 | M916-V920 PolarHBondContact O-N 3.31Å; M916-V920 VanDerWaalsContact O-N 3.12Å; V920-Q922 VanDerWaalsContact C-N 3.31Å; V920-Q922 PolarHBondContact O-N 3.17Å; V920-Q923 PolarHBondContact O-N 3.35Å; V920-Q924 HydrophobicContact CG1-CG 4.22Å; V920-Q924 WeakPolarHBondContact O-CB 3.36Å; V920-Q924 WeakPolarHBondContact O-CG 3.26Å; V920-Q924 PolarHBondContact O-N 3.17Å; V920-L956 HydrophobicContact CG2-CD1 4.31Å |
| 921 | Q | 68.4 | Low | 62.6 | Low | 94 Ų | 94 | 68.6 Ų | 68.6 | 44% | 0.439 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -35.2 | 177.2 | -75.7 | -175.9 | 12.9 | 0 | 0 | 112.7 | N917 V918 E919 R925 | N917-Q921 WeakPolarHBondContact O-CB 3.24Å; N917-Q921 WeakPolarHBondContact O-CG 3.11Å; N917-Q921 PolarHBondContact O-N 2.74Å; V918-Q921 PolarHBondContact O-N 2.82Å; E919-Q921 PolarHBondContact O-N 2.84Å; Q921-R925 WeakPolarHBondContact O-CB 3.33Å; Q921-R925 WeakPolarHBondContact O-CD 3.1Å; Q921-R925 WeakPolarHBondContact O-CG 3.38Å; Q921-R925 PolarHBondContact O-N 3.08Å |
| 922 | Q | 70.9 | Confident | 63.2 | Low | 109 Ų | 109 | 69.6 Ų | 69.6 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 172.9 | -71.1 | -165.1 | 89.2 | 0 | 0 | 111.5 | V918 E919 V920 R925 A926 | V918-Q922 WeakPolarHBondContact O-CG 3.41Å; V918-Q922 PolarHBondContact O-N 2.71Å; E919-Q922 PolarHBondContact O-N 2.78Å; E919-Q922 PolarHBondContact OE2-NE2 3.05Å; V920-Q922 VanDerWaalsContact C-N 3.31Å; V920-Q922 PolarHBondContact O-N 3.17Å; Q922-R925 PolarHBondContact O-N 3.31Å; Q922-A926 WeakPolarHBondContact O-CB 3.37Å; Q922-A926 PolarHBondContact O-N 3.37Å |
| 923 | Q | 72.4 | Confident | 63.9 | Low | 36 Ų | 36 | 67.7 Ų | 67.7 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 177.4 | -67.8 | -168.7 | 0.3 | 0 | 0 | 112.3 | E919 V920 R925 A926 L927 T950 Y957 | E919-Q923 WeakPolarHBondContact O-CG 3.37Å; E919-Q923 PolarHBondContact O-N 3.37Å; V920-Q923 PolarHBondContact O-N 3.35Å; Q923-R925 VanDerWaalsContact C-N 3.3Å; Q923-R925 PolarHBondContact O-N 3.04Å; Q923-A926 PolarHBondContact O-N 3.12Å; Q923-A926 VanDerWaalsContact O-N 3.09Å; Q923-L927 WeakPolarHBondContact O-CB 3.22Å; Q923-L927 WeakPolarHBondContact O-CG 3.42Å; Q923-L927 PolarHBondContact O-N 2.85Å; Q923-T950 HydrophobicContact CB-CG2 3.92Å; Q923-Y957 PolarHBondContact NE2-O 2.91Å; Q923-Y957 PolarHBondContact OE1-O 3.17Å |
| 924 | Q | 69.6 | Low | 64.6 | Low | 37 Ų | 37 | 74 Ų | 74 | 17% | 0.173 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -55.8 | -45.1 | 173.5 | -73.5 | 172.1 | -14.8 | 0 | 0 | 111.4 | V920 A926 L927 A928 T950 M951 S954 | V920-Q924 HydrophobicContact CG1-CG 4.22Å; V920-Q924 WeakPolarHBondContact O-CB 3.36Å; V920-Q924 WeakPolarHBondContact O-CG 3.26Å; V920-Q924 PolarHBondContact O-N 3.17Å; Q924-A926 PolarHBondContact O-N 3.34Å; Q924-L927 PolarHBondContact O-N 3.17Å; Q924-A928 VanDerWaalsContact O-CB 3.23Å; Q924-A928 WeakPolarHBondContact O-CB 3.46Å; Q924-A928 PolarHBondContact O-N 3.23Å; Q924-T950 HydrophobicContact CG-CG2 4.15Å; Q924-T950 WeakPolarHBondContact CG-O 3.03Å; Q924-T950 PolarHBondContact NE2-O 2.96Å; Q924-M951 HydrophobicContact CB-SD 4.39Å; Q924-M951 HydrophobicContact CG-SD 4.28Å; Q924-M951 PolarHBondContact NE2-O 2.85Å; Q924-S954 PolarHBondContact NE2-OG 3.31Å |
| 925 | R | 73.9 | Confident | 65.5 | Low | 151 Ų | 151 | 74.2 Ų | 74.2 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.8 | -36.7 | 175.2 | -72 | 168.1 | -177.7 | 172.9 | 4.8 | 112.8 | Q921 Q922 Q923 R929 | Q921-R925 WeakPolarHBondContact O-CB 3.33Å; Q921-R925 WeakPolarHBondContact O-CD 3.1Å; Q921-R925 WeakPolarHBondContact O-CG 3.38Å; Q921-R925 PolarHBondContact O-N 3.08Å; Q922-R925 PolarHBondContact O-N 3.31Å; Q923-R925 VanDerWaalsContact C-N 3.3Å; Q923-R925 PolarHBondContact O-N 3.04Å; R925-R929 WeakPolarHBondContact O-CB 3.45Å; R925-R929 WeakPolarHBondContact O-CD 3.48Å; R925-R929 WeakPolarHBondContact O-CG 3.47Å; R925-R929 PolarHBondContact O-N 2.91Å; R925-R929 VanDerWaalsContact O-N 3.13Å |
| 926 | A | 70.3 | Confident | 66.4 | Low | 31 Ų | 31 | 76.7 Ų | 76.7 | 26% | 0.256 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.6 | -46.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q922 Q923 Q924 R929 G930 L931 | Q922-A926 WeakPolarHBondContact O-CB 3.37Å; Q922-A926 PolarHBondContact O-N 3.37Å; Q923-A926 PolarHBondContact O-N 3.12Å; Q923-A926 VanDerWaalsContact O-N 3.09Å; Q924-A926 PolarHBondContact O-N 3.34Å; A926-R929 CarbonylContact O-C 3.57Å; A926-R929 WeakPolarHBondContact O-CA 3.43Å; A926-R929 WeakPolarHBondContact O-CB 3.38Å; A926-R929 PolarHBondContact O-N 2.82Å; A926-R929 VanDerWaalsContact O-N 3.12Å; A926-G930 PolarHBondContact O-N 3.22Å; A926-L931 HydrophobicContact CB-CB 4.28Å; A926-L931 WeakPolarHBondContact O-CB 3.31Å; A926-L931 PolarHBondContact O-N 3Å |
| 927 | L | 64.2 | Low | 67 | Low | 18 Ų | 18 | 76.6 Ų | 76.6 | 9% | 0.094 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 177.8 | -65.5 | 167.7 | 0 | 0 | 0 | 111.6 | Q923 Q924 R929 G930 F932 Y947 T950 | Q923-L927 WeakPolarHBondContact O-CB 3.22Å; Q923-L927 WeakPolarHBondContact O-CG 3.42Å; Q923-L927 PolarHBondContact O-N 2.85Å; Q924-L927 PolarHBondContact O-N 3.17Å; L927-R929 VanDerWaalsContact C-N 3.28Å; L927-R929 PolarHBondContact O-N 2.88Å; L927-G930 WeakPolarHBondContact O-CA 3.37Å; L927-G930 PolarHBondContact O-N 3.2Å; L927-F932 HydrophobicContact CD2-CD1 4.41Å; L927-F932 HydrophobicContact CD2-CD2 3.64Å; L927-F932 HydrophobicContact CD2-CE1 4.1Å; L927-F932 HydrophobicContact CD2-CE2 3.29Å; L927-F932 HydrophobicContact CD2-CG 4.2Å; L927-F932 HydrophobicContact CD2-CZ 3.53Å; L927-F932 HydrophobicContact CG-CE2 4.5Å; L927-Y947 HydrophobicContact CB-CD2 4.34Å; L927-T950 VanDerWaalsContact CD1-CB 3.46Å; L927-T950 HydrophobicContact CD1-CG2 3.46Å; L927-T950 VanDerWaalsContact CD1-CG2 3.46Å |
| 928 | A | 62.5 | Low | 67.5 | Low | 76 Ų | 76 | 78.3 Ų | 78.3 | 63% | 0.628 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.7 | -30.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q924 G930 | Q924-A928 VanDerWaalsContact O-CB 3.23Å; Q924-A928 WeakPolarHBondContact O-CB 3.46Å; Q924-A928 PolarHBondContact O-N 3.23Å; A928-G930 PolarHBondContact O-N 2.92Å |
| 929 | R | 69.5 | Low | 67.9 | Low | 199 Ų | 199 | 79.7 Ų | 79.7 | 75% | 0.751 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 3.2 | 170.2 | -70.8 | 168.9 | 179.9 | -174.9 | -1.1 | 113.6 | R925 A926 L927 L931 | R925-R929 WeakPolarHBondContact O-CB 3.45Å; R925-R929 WeakPolarHBondContact O-CD 3.48Å; R925-R929 WeakPolarHBondContact O-CG 3.47Å; R925-R929 PolarHBondContact O-N 2.91Å; R925-R929 VanDerWaalsContact O-N 3.13Å; A926-R929 CarbonylContact O-C 3.57Å; A926-R929 WeakPolarHBondContact O-CA 3.43Å; A926-R929 WeakPolarHBondContact O-CB 3.38Å; A926-R929 PolarHBondContact O-N 2.82Å; A926-R929 VanDerWaalsContact O-N 3.12Å; L927-R929 VanDerWaalsContact C-N 3.28Å; L927-R929 PolarHBondContact O-N 2.88Å; R929-L931 HydrophobicContact CB-CD1 4.34Å; R929-L931 HydrophobicContact CB-CG 4.26Å; R929-L931 PolarHBondContact O-N 3.25Å |
| 930 | G | 58.9 | Low | 68.4 | Low | 47 Ų | 47 | 75.8 Ų | 75.8 | 49% | 0.485 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 8.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | A926 L927 A928 F932 | A926-G930 PolarHBondContact O-N 3.22Å; L927-G930 WeakPolarHBondContact O-CA 3.37Å; L927-G930 PolarHBondContact O-N 3.2Å; A928-G930 PolarHBondContact O-N 2.92Å; G930-F932 VanDerWaalsContact C-N 3.35Å; G930-F932 PolarHBondContact O-N 3.07Å |
| 931 | L | 60.5 | Low | 69.3 | Low | 115 Ų | 115 | 80.1 Ų | 80.1 | 60% | 0.602 | 41% | 0.412 | S | S | * | . | trans | -77 | 84.9 | 178.5 | -61.3 | 173.5 | 0 | 0 | 0 | 109.5 | A926 R929 | A926-L931 HydrophobicContact CB-CB 4.28Å; A926-L931 WeakPolarHBondContact O-CB 3.31Å; A926-L931 PolarHBondContact O-N 3Å; R929-L931 HydrophobicContact CB-CD1 4.34Å; R929-L931 HydrophobicContact CB-CG 4.26Å; R929-L931 PolarHBondContact O-N 3.25Å | ||
| 932 | F | 60.1 | Low | 70.1 | Confident | 41 Ų | 41 | 76 Ų | 76 | 18% | 0.18 | 39% | 0.393 | C | S | . | . | trans | -102.8 | 114.9 | -176.7 | -123.3 | -81.1 | 0 | 0 | 0 | 111.2 | L927 G930 K934 K943 I946 | L927-F932 HydrophobicContact CD2-CD1 4.41Å; L927-F932 HydrophobicContact CD2-CD2 3.64Å; L927-F932 HydrophobicContact CD2-CE1 4.1Å; L927-F932 HydrophobicContact CD2-CE2 3.29Å; L927-F932 HydrophobicContact CD2-CG 4.2Å; L927-F932 HydrophobicContact CD2-CZ 3.53Å; L927-F932 HydrophobicContact CG-CE2 4.5Å; G930-F932 VanDerWaalsContact C-N 3.35Å; G930-F932 PolarHBondContact O-N 3.07Å; F932-K934 PolarHBondContact O-N 3.14Å; F932-K943 HydrophobicContact CD1-CG 4.04Å; F932-K943 HydrophobicContact CD2-CD 4.22Å; F932-K943 HydrophobicContact CD2-CG 3.7Å; F932-K943 HydrophobicContact CE1-CB 4.15Å; F932-K943 HydrophobicContact CE1-CG 3.83Å; F932-K943 HydrophobicContact CE2-CD 4.32Å; F932-K943 HydrophobicContact CE2-CG 3.42Å; F932-K943 VanDerWaalsContact CE2-CG 3.42Å; F932-K943 HydrophobicContact CG-CG 3.99Å; F932-K943 HydrophobicContact CZ-CB 4.16Å; F932-K943 HydrophobicContact CZ-CG 3.51Å; F932-K943 WeakPolarHBondContact CZ-O 3.45Å; F932-I946 HydrophobicContact CE1-CB 3.85Å; F932-I946 HydrophobicContact CE1-CD1 3.98Å; F932-I946 HydrophobicContact CE1-CG2 3.75Å; F932-I946 HydrophobicContact CZ-CB 3.89Å; F932-I946 HydrophobicContact CZ-CG2 3.81Å | ||
| 933 | P | 60.1 | Low | 70.8 | Confident | 66 Ų | 66 | 75.6 Ų | 75.6 | 43% | 0.429 | 39% | 0.39 | S | S | . | . | trans | -58.1 | 134.2 | 160.4 | -19.4 | 32.9 | 0 | 0 | 0 | 108.8 | P935 Y957 | P933-P935 WeakPolarHBondContact O-CD 3.42Å; P933-Y957 HydrophobicContact CB-CE1 3.93Å; P933-Y957 HydrophobicContact CG-CE1 3.94Å | ||
| 934 | K | 65.8 | Low | 71.4 | Confident | 196 Ų | 196 | 79.6 Ų | 79.6 | 85% | 0.852 | 41% | 0.409 | S | S | * | . | trans | -102.3 | 99.1 | 178.5 | -72.6 | -173 | 177.2 | -177.1 | 0 | 110 | F932 | F932-K934 PolarHBondContact O-N 3.14Š| ||
| 935 | P | 74 | Confident | 72.4 | Confident | 23 Ų | 23 | 77.9 Ų | 77.9 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | trans | -70.9 | 159 | 175.5 | 30.5 | -35.7 | 0 | 0 | 0 | 112.2 | P933 T937 P942 I946 A1144 Y1275 | P933-P935 WeakPolarHBondContact O-CD 3.42Å; P935-T937 VanDerWaalsContact C-N 3.28Å; P935-T937 HydrophobicContact CB-CG2 4.09Å; P935-T937 HydrophobicContact CG-CG2 3.93Å; P935-T937 PolarHBondContact O-N 2.92Å; P935-P942 HydrophobicContact CG-CG 3.79Å; P935-I946 HydrophobicContact CG-CD1 4.26Å; P935-A1144 HydrophobicContact CB-CB 3.65Å; P935-Y1275 WeakPolarHBondContact CB-O 3.5Å | ||
| 936 | T | 73.1 | Confident | 73.2 | Confident | 99 Ų | 99 | 70.7 Ų | 70.7 | 61% | 0.607 | 37% | 0.374 | S | S | * | . | trans | -78.5 | 63.7 | -175.1 | 25.4 | 0 | 0 | 0 | 0 | 112.6 | N938 D1276 A1277 | T936-N938 PolarHBondContact O-N 2.89Å; T936-D1276 WeakPolarHBondContact CB-OD1 3.45Å; T936-D1276 PolarHBondContact OG1-OD1 2.9Å; T936-A1277 WeakPolarHBondContact O-CB 3.41Å; T936-A1277 PolarHBondContact O-N 3.08Å | ||
| 937 | T | 76.5 | Confident | 73.9 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 6% | 0.055 | 38% | 0.379 | C | S | . | . | trans | -98.5 | 35.5 | -171.1 | 54.9 | 0 | 0 | 0 | 0 | 115.1 | P935 Q939 V940 P942 G1250 I1251 Y1275 | P935-T937 VanDerWaalsContact C-N 3.28Å; P935-T937 HydrophobicContact CB-CG2 4.09Å; P935-T937 HydrophobicContact CG-CG2 3.93Å; P935-T937 PolarHBondContact O-N 2.92Å; T937-Q939 PolarHBondContact O-N 3.44Å; T937-V940 PolarHBondContact O-N 3.31Å; T937-V940 VanDerWaalsContact O-N 3.07Å; T937-V940 PolarHBondContact OG1-O 2.8Å; T937-P942 HydrophobicContact CG2-CG 3.98Å; T937-P942 VanDerWaalsContact OG1-CD 3.26Å; T937-P942 WeakPolarHBondContact OG1-CD 3.48Å; T937-G1250 WeakPolarHBondContact CB-O 3.42Å; T937-G1250 WeakPolarHBondContact CG2-O 3.32Å; T937-I1251 HydrophobicContact CG2-CG1 4.5Å; T937-Y1275 WeakPolarHBondContact CG2-O 3.27Å | ||
| 938 | N | 70.8 | Confident | 75 | Confident | 103 Ų | 103 | 74.9 Ų | 74.9 | 55% | 0.551 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | -103.2 | -178.9 | -87 | -36.3 | 0 | 0 | 0 | 114.5 | T936 G1249 A1277 | T936-N938 PolarHBondContact O-N 2.89Å; N938-G1249 PolarHBondContact ND2-O 3.19Å; N938-A1277 HydrophobicContact CB-CB 4.38Å; N938-A1277 VanDerWaalsContact ND2-CB 3.29Å; N938-A1277 WeakPolarHBondContact ND2-CB 3.41Å |
| 939 | Q | 71.1 | Confident | 76.2 | Confident | 131 Ų | 131 | 71.2 Ų | 71.2 | 61% | 0.612 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | 5.9 | -178.9 | -68.5 | -173 | -17.3 | 0 | 0 | 113.5 | T937 K1172 | T937-Q939 PolarHBondContact O-N 3.44Å; Q939-K1172 VanDerWaalsContact OE1-CE 3.24Å |
| 940 | V | 77.7 | Confident | 76.9 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | trans | -87.2 | 141.2 | 173.9 | -163.3 | 0 | 0 | 0 | 0 | 108.7 | T937 P942 L1169 I1247 D1248 I1251 | T937-V940 PolarHBondContact O-N 3.31Å; T937-V940 VanDerWaalsContact O-N 3.07Å; T937-V940 PolarHBondContact OG1-O 2.8Å; V940-P942 VanDerWaalsContact O-CD 3.31Å; V940-P942 WeakPolarHBondContact O-CD 3.47Å; V940-L1169 HydrophobicContact CG1-CB 4.11Å; V940-I1247 HydrophobicContact CG2-CG2 4.37Å; V940-D1248 HydrophobicContact CG2-CB 3.72Å; V940-I1251 HydrophobicContact CB-CD1 4.27Å; V940-I1251 HydrophobicContact CB-CG1 4.24Å; V940-I1251 HydrophobicContact CG1-CD1 3.54Å; V940-I1251 HydrophobicContact CG1-CG1 4Å | ||
| 941 | D | 84.6 | Confident | 77.8 | Confident | 94 Ų | 94 | 62.9 Ų | 62.9 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | trans | -102.7 | 98.8 | 170 | -175.9 | -0.7 | 0 | 0 | 0 | 109.3 | K943 | D941-K943 PolarHBondContact O-N 2.86Å; D941-K943 WeakPolarHBondContact OD1-CB 3.25Å; D941-K943 PolarHBondContact OD1-N 2.92Å | ||
| 942 | P | 86.5 | Confident | 78.3 | Confident | 6 Ų | 6 | 63.5 Ų | 63.5 | 4% | 0.039 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -4.6 | -179.2 | 32.2 | -37.4 | 0 | 0 | 0 | 112.8 | P935 T937 V940 Q944 L945 I946 I1251 Y1275 | P935-P942 HydrophobicContact CG-CG 3.79Å; T937-P942 HydrophobicContact CG2-CG 3.98Å; T937-P942 VanDerWaalsContact OG1-CD 3.26Å; T937-P942 WeakPolarHBondContact OG1-CD 3.48Å; V940-P942 VanDerWaalsContact O-CD 3.31Å; V940-P942 WeakPolarHBondContact O-CD 3.47Å; P942-Q944 VanDerWaalsContact C-N 3.26Å; P942-Q944 PolarHBondContact O-N 3.15Å; P942-Q944 VanDerWaalsContact O-N 3.11Å; P942-L945 WeakPolarHBondContact O-CA 3.45Å; P942-L945 PolarHBondContact O-N 2.92Å; P942-I946 HydrophobicContact CB-CD1 3.76Å; P942-I946 HydrophobicContact CB-CG1 4.26Å; P942-I946 HydrophobicContact CG-CD1 3.88Å; P942-I946 PolarHBondContact O-N 3.24Å; P942-I1251 HydrophobicContact CB-CD1 3.81Å; P942-Y1275 HydrophobicContact CB-CD1 3.65Å; P942-Y1275 HydrophobicContact CB-CE1 3.88Å; P942-Y1275 HydrophobicContact CG-CD1 4.44Å |
| 943 | K | 84.7 | Confident | 78.7 | Confident | 101 Ų | 101 | 63.5 Ų | 63.5 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -50 | -44.3 | -171.5 | -173.3 | -172.4 | -178.8 | -175.9 | 0 | 113.3 | F932 D941 Y947 | F932-K943 HydrophobicContact CD1-CG 4.04Å; F932-K943 HydrophobicContact CD2-CD 4.22Å; F932-K943 HydrophobicContact CD2-CG 3.7Å; F932-K943 HydrophobicContact CE1-CB 4.15Å; F932-K943 HydrophobicContact CE1-CG 3.83Å; F932-K943 HydrophobicContact CE2-CD 4.32Å; F932-K943 HydrophobicContact CE2-CG 3.42Å; F932-K943 VanDerWaalsContact CE2-CG 3.42Å; F932-K943 HydrophobicContact CG-CG 3.99Å; F932-K943 HydrophobicContact CZ-CB 4.16Å; F932-K943 HydrophobicContact CZ-CG 3.51Å; F932-K943 WeakPolarHBondContact CZ-O 3.45Å; D941-K943 PolarHBondContact O-N 2.86Å; D941-K943 WeakPolarHBondContact OD1-CB 3.25Å; D941-K943 PolarHBondContact OD1-N 2.92Å; K943-Y947 VanDerWaalsContact O-CB 3.24Å; K943-Y947 WeakPolarHBondContact O-CB 3.5Å; K943-Y947 PolarHBondContact O-N 3Å |
| 944 | Q | 85.4 | Confident | 79.2 | Confident | 121 Ų | 121 | 61.9 Ų | 61.9 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -73 | -27.4 | -179.3 | -67.6 | -174.8 | -12.4 | 0 | 0 | 113.4 | P942 M948 | P942-Q944 VanDerWaalsContact C-N 3.26Å; P942-Q944 PolarHBondContact O-N 3.15Å; P942-Q944 VanDerWaalsContact O-N 3.11Å; Q944-M948 WeakPolarHBondContact O-CB 3.22Å; Q944-M948 PolarHBondContact O-N 2.93Å |
| 945 | L | 90.8 | Very high | 80 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -78.5 | -46.2 | 177 | 178.1 | 54.6 | 0 | 0 | 0 | 110.9 | P942 Y947 M948 L949 T1162 K1165 M1166 L1169 I1251 I1273 Y1275 | P942-L945 WeakPolarHBondContact O-CA 3.45Å; P942-L945 PolarHBondContact O-N 2.92Å; L945-Y947 VanDerWaalsContact C-N 3.32Å; L945-Y947 PolarHBondContact O-N 3.04Å; L945-M948 HydrophobicContact CD1-CE 3.94Å; L945-M948 WeakPolarHBondContact O-CB 3.48Å; L945-M948 PolarHBondContact O-N 2.88Å; L945-L949 HydrophobicContact CD1-CD1 3.89Å; L945-L949 HydrophobicContact CD1-CG 4.15Å; L945-L949 HydrophobicContact CG-CD1 4.21Å; L945-L949 WeakPolarHBondContact O-CG 3.28Å; L945-L949 PolarHBondContact O-N 3.22Å; L945-T1162 HydrophobicContact CD1-CG2 4.3Å; L945-K1165 HydrophobicContact CB-CG 4.17Å; L945-K1165 HydrophobicContact CD1-CB 4.13Å; L945-K1165 HydrophobicContact CD1-CG 3.93Å; L945-M1166 HydrophobicContact CD2-CG 3.69Å; L945-L1169 HydrophobicContact CB-CD1 4.12Å; L945-L1169 HydrophobicContact CD2-CD1 4.49Å; L945-I1251 HydrophobicContact CD2-CD1 4.5Å; L945-I1273 HydrophobicContact CD2-CG2 4.38Å; L945-Y1275 HydrophobicContact CD2-CE1 4.11Å; L945-Y1275 HydrophobicContact CG-CE1 4.35Å |
| 946 | I | 89.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 174.4 | -66.3 | 162.1 | 0 | 0 | 0 | 110.5 | F932 P935 P942 M948 L949 T950 Y957 Y1275 | F932-I946 HydrophobicContact CE1-CB 3.85Å; F932-I946 HydrophobicContact CE1-CD1 3.98Å; F932-I946 HydrophobicContact CE1-CG2 3.75Å; F932-I946 HydrophobicContact CZ-CB 3.89Å; F932-I946 HydrophobicContact CZ-CG2 3.81Å; P935-I946 HydrophobicContact CG-CD1 4.26Å; P942-I946 HydrophobicContact CB-CD1 3.76Å; P942-I946 HydrophobicContact CB-CG1 4.26Å; P942-I946 HydrophobicContact CG-CD1 3.88Å; P942-I946 PolarHBondContact O-N 3.24Å; I946-M948 PolarHBondContact O-N 3.38Å; I946-L949 PolarHBondContact O-N 3.35Å; I946-T950 PolarHBondContact O-N 3.21Å; I946-T950 PolarHBondContact O-OG1 3.38Å; I946-Y957 HydrophobicContact CB-CD2 4.43Å; I946-Y957 HydrophobicContact CD1-CD2 4.04Å; I946-Y957 HydrophobicContact CD1-CE2 3.51Å; I946-Y957 HydrophobicContact CG1-CD2 3.95Å; I946-Y957 HydrophobicContact CG1-CE2 3.92Å; I946-Y957 HydrophobicContact CG2-CD2 3.6Å; I946-Y957 HydrophobicContact CG2-CE2 4.14Å; I946-Y957 HydrophobicContact CG2-CG 4Å; I946-Y1275 HydrophobicContact CD1-CD1 4.38Å; I946-Y1275 HydrophobicContact CD1-CD2 4.27Å; I946-Y1275 HydrophobicContact CD1-CE1 4.33Å; I946-Y1275 HydrophobicContact CD1-CE2 4.21Å; I946-Y1275 HydrophobicContact CD1-CG 4.33Å; I946-Y1275 HydrophobicContact CG1-CD1 4.37Å; I946-Y1275 HydrophobicContact CG1-CD2 4.18Å; I946-Y1275 HydrophobicContact CG1-CE1 3.84Å; I946-Y1275 HydrophobicContact CG1-CE2 3.62Å; I946-Y1275 VanDerWaalsContact CG1-CZ 3.41Å |
| 947 | Y | 85.3 | Confident | 81.3 | Confident | 96 Ų | 96 | 48.1 Ų | 48.1 | 38% | 0.376 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 177 | 179.2 | -97.4 | 0 | 0 | 0 | 112.3 | L927 K943 L945 L949 M951 F952 | L927-Y947 HydrophobicContact CB-CD2 4.34Å; K943-Y947 VanDerWaalsContact O-CB 3.24Å; K943-Y947 WeakPolarHBondContact O-CB 3.5Å; K943-Y947 PolarHBondContact O-N 3Å; L945-Y947 VanDerWaalsContact C-N 3.32Å; L945-Y947 PolarHBondContact O-N 3.04Å; Y947-L949 PolarHBondContact O-N 3.03Å; Y947-M951 HydrophobicContact CD2-CB 4.47Å; Y947-M951 HydrophobicContact CE1-CB 4.22Å; Y947-M951 HydrophobicContact CE1-CG 4.36Å; Y947-M951 HydrophobicContact CE2-CB 4.13Å; Y947-M951 HydrophobicContact CE2-CG 4.24Å; Y947-M951 HydrophobicContact CE2-SD 4.48Å; Y947-M951 WeakPolarHBondContact O-CB 3.32Å; Y947-M951 PolarHBondContact O-N 3.21Å; Y947-F952 HydrophobicContact CE1-CE2 4.44Å |
| 948 | M | 87.4 | Confident | 81.9 | Confident | 41 Ų | 41 | 48 Ų | 48 | 20% | 0.202 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.9 | -49.5 | 176.9 | -172 | -176.5 | 88.8 | 0 | 0 | 111.2 | Q944 L945 I946 F952 L1161 K1165 | Q944-M948 WeakPolarHBondContact O-CB 3.22Å; Q944-M948 PolarHBondContact O-N 2.93Å; L945-M948 HydrophobicContact CD1-CE 3.94Å; L945-M948 WeakPolarHBondContact O-CB 3.48Å; L945-M948 PolarHBondContact O-N 2.88Å; I946-M948 PolarHBondContact O-N 3.38Å; M948-F952 PolarHBondContact O-N 2.98Å; M948-F952 VanDerWaalsContact O-N 3.11Å; M948-L1161 HydrophobicContact CE-CB 4.28Å; M948-K1165 HydrophobicContact CE-CB 4.42Å; M948-K1165 HydrophobicContact SD-CB 4.45Å |
| 949 | L | 89 | Confident | 82.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.7 | -31.9 | -176 | -66.7 | 176.6 | 0 | 0 | 0 | 113.9 | L945 I946 Y947 E953 S954 S955 V1148 I1273 | L945-L949 HydrophobicContact CD1-CD1 3.89Å; L945-L949 HydrophobicContact CD1-CG 4.15Å; L945-L949 HydrophobicContact CG-CD1 4.21Å; L945-L949 WeakPolarHBondContact O-CG 3.28Å; L945-L949 PolarHBondContact O-N 3.22Å; I946-L949 PolarHBondContact O-N 3.35Å; Y947-L949 PolarHBondContact O-N 3.03Å; L949-E953 HydrophobicContact CD2-CG 4.14Å; L949-E953 CarbonylContact O-C 3.45Å; L949-E953 WeakPolarHBondContact O-CB 3.44Å; L949-E953 PolarHBondContact O-N 3.3Å; L949-S954 PolarHBondContact O-N 3.43Å; L949-S955 VanDerWaalsContact O-CB 3.26Å; L949-S955 WeakPolarHBondContact O-CB 3.33Å; L949-S955 PolarHBondContact O-N 2.97Å; L949-V1148 HydrophobicContact CD1-CG2 3.56Å; L949-V1148 HydrophobicContact CD2-CG1 4.32Å; L949-V1148 HydrophobicContact CD2-CG2 3.66Å; L949-V1148 HydrophobicContact CG-CG2 4.21Å; L949-I1273 HydrophobicContact CD1-CG1 4.47Å |
| 950 | T | 84 | Confident | 83.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -85 | -33.9 | 176.1 | -55 | 0 | 0 | 0 | 0 | 112.8 | Q923 Q924 L927 I946 S955 Q1146 | Q923-T950 HydrophobicContact CB-CG2 3.92Å; Q924-T950 HydrophobicContact CG-CG2 4.15Å; Q924-T950 WeakPolarHBondContact CG-O 3.03Å; Q924-T950 PolarHBondContact NE2-O 2.96Å; L927-T950 VanDerWaalsContact CD1-CB 3.46Å; L927-T950 HydrophobicContact CD1-CG2 3.46Å; L927-T950 VanDerWaalsContact CD1-CG2 3.46Å; I946-T950 PolarHBondContact O-N 3.21Å; I946-T950 PolarHBondContact O-OG1 3.38Å; T950-S955 PolarHBondContact OG1-O 2.65Å; T950-S955 VanDerWaalsContact OG1-O 3.04Å; T950-Q1146 PolarHBondContact OG1-NE2 3.11Å |
| 951 | M | 76.9 | Confident | 84.2 | Confident | 70 Ų | 70 | 42.6 Ų | 42.6 | 35% | 0.345 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -77.9 | -48.5 | -176.7 | -169.1 | 67.1 | -139.7 | 0 | 0 | 112.6 | Q924 Y947 | Q924-M951 HydrophobicContact CB-SD 4.39Å; Q924-M951 HydrophobicContact CG-SD 4.28Å; Q924-M951 PolarHBondContact NE2-O 2.85Å; Y947-M951 HydrophobicContact CD2-CB 4.47Å; Y947-M951 HydrophobicContact CE1-CB 4.22Å; Y947-M951 HydrophobicContact CE1-CG 4.36Å; Y947-M951 HydrophobicContact CE2-CB 4.13Å; Y947-M951 HydrophobicContact CE2-CG 4.24Å; Y947-M951 HydrophobicContact CE2-SD 4.48Å; Y947-M951 WeakPolarHBondContact O-CB 3.32Å; Y947-M951 PolarHBondContact O-N 3.21Å |
| 952 | F | 71.2 | Confident | 84.6 | Confident | 129 Ų | 129 | 42.1 Ų | 42.1 | 57% | 0.566 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -57.5 | -178.5 | -60.5 | -87.4 | 0 | 0 | 0 | 109.9 | Y947 M948 S954 | Y947-F952 HydrophobicContact CE1-CE2 4.44Å; M948-F952 PolarHBondContact O-N 2.98Å; M948-F952 VanDerWaalsContact O-N 3.11Å; F952-S954 PolarHBondContact O-N 3.45Å; F952-S954 VanDerWaalsContact O-N 3.14Å |
| 953 | E | 68.1 | Low | 85.1 | Confident | 40 Ų | 40 | 42.5 Ų | 42.5 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -76.5 | -6.5 | -173.5 | -55.4 | -43.8 | 121.4 | 0 | 0 | 115.4 | K913 L949 S955 H1156 Q1158 | K913-E953 PolarHBondContact NZ-O 2.76Å; L949-E953 HydrophobicContact CD2-CG 4.14Å; L949-E953 CarbonylContact O-C 3.45Å; L949-E953 WeakPolarHBondContact O-CB 3.44Å; L949-E953 PolarHBondContact O-N 3.3Å; E953-S955 PolarHBondContact O-N 3.23Å; E953-S955 VanDerWaalsContact O-N 3.12Å; E953-H1156 IonicContact OE1-CD2 3.23Å; E953-Q1158 VanDerWaalsContact CD-OE1 3.24Å; E953-Q1158 HydrophobicContact CG-CG 4.1Å; E953-Q1158 PolarHBondContact OE1-NE2 3.42Å; E953-Q1158 PolarHBondContact OE1-OE1 3.16Å; E953-Q1158 VanDerWaalsContact OE2-CG 3.26Å; E953-Q1158 WeakPolarHBondContact OE2-CG 3.1Å; E953-Q1158 PolarHBondContact OE2-NE2 3.46Å |
| 954 | S | 71.8 | Confident | 85.6 | Confident | 33 Ų | 33 | 40.6 Ų | 40.6 | 23% | 0.231 | 20% | 0.199 | C | C | . | . | trans | 49.9 | 40.1 | -175.1 | -69.1 | 0 | 0 | 0 | 0 | 110.7 | K913 Q924 L949 F952 | K913-S954 PolarHBondContact NZ-O 2.78Å; Q924-S954 PolarHBondContact NE2-OG 3.31Å; L949-S954 PolarHBondContact O-N 3.43Å; F952-S954 PolarHBondContact O-N 3.45Å; F952-S954 VanDerWaalsContact O-N 3.14Å | ||
| 955 | S | 83 | Confident | 86.2 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 4% | 0.035 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -89.5 | 118.8 | 176.3 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | L949 T950 E953 Y957 Q1146 M1147 | L949-S955 VanDerWaalsContact O-CB 3.26Å; L949-S955 WeakPolarHBondContact O-CB 3.33Å; L949-S955 PolarHBondContact O-N 2.97Å; T950-S955 PolarHBondContact OG1-O 2.65Å; T950-S955 VanDerWaalsContact OG1-O 3.04Å; E953-S955 PolarHBondContact O-N 3.23Å; E953-S955 VanDerWaalsContact O-N 3.12Å; S955-Y957 PolarHBondContact O-N 2.97Å; S955-Q1146 PolarHBondContact O-NE2 3.31Å; S955-M1147 PolarHBondContact OG-O 3.4Å |
| 956 | L | 83.7 | Confident | 86.5 | Confident | 8 Ų | 8 | 37.1 Ų | 37.1 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 118.1 | -174.5 | -170.2 | 72.9 | 0 | 0 | 0 | 110.3 | M916 E919 V920 T958 | M916-L956 HydrophobicContact CE-CB 3.63Å; M916-L956 HydrophobicContact CE-CD2 3.77Å; M916-L956 HydrophobicContact CE-CG 4.25Å; E919-L956 HydrophobicContact CB-CD1 4.11Å; E919-L956 HydrophobicContact CG-CD1 3.72Å; V920-L956 HydrophobicContact CG2-CD1 4.31Å; L956-T958 HydrophobicContact CB-CG2 4.31Å; L956-T958 HydrophobicContact CD2-CG2 3.6Å; L956-T958 HydrophobicContact CG-CG2 3.71Å; L956-T958 PolarHBondContact O-N 2.95Å |
| 957 | Y | 89.4 | Confident | 86.8 | Confident | 16 Ų | 16 | 39.1 Ų | 39.1 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -78.7 | 120.3 | 171.3 | 176.2 | -93.8 | 0 | 0 | 0 | 108.6 | Q923 P933 I946 S955 T959 A1144 Q1146 Y1275 | Q923-Y957 PolarHBondContact NE2-O 2.91Å; Q923-Y957 PolarHBondContact OE1-O 3.17Å; P933-Y957 HydrophobicContact CB-CE1 3.93Å; P933-Y957 HydrophobicContact CG-CE1 3.94Å; I946-Y957 HydrophobicContact CB-CD2 4.43Å; I946-Y957 HydrophobicContact CD1-CD2 4.04Å; I946-Y957 HydrophobicContact CD1-CE2 3.51Å; I946-Y957 HydrophobicContact CG1-CD2 3.95Å; I946-Y957 HydrophobicContact CG1-CE2 3.92Å; I946-Y957 HydrophobicContact CG2-CD2 3.6Å; I946-Y957 HydrophobicContact CG2-CE2 4.14Å; I946-Y957 HydrophobicContact CG2-CG 4Å; S955-Y957 PolarHBondContact O-N 2.97Å; Y957-T959 HydrophobicContact CD1-CG2 4.39Å; Y957-T959 HydrophobicContact CE1-CG2 3.55Å; Y957-A1144 HydrophobicContact CE2-CB 4.22Å; Y957-A1144 WeakPolarHBondContact OH-CB 3.42Å; Y957-Q1146 HydrophobicContact CD2-CG 4.16Å; Y957-Y1275 HydrophobicContact CD2-CD2 4.29Å; Y957-Y1275 HydrophobicContact CD2-CE2 4.14Å; Y957-Y1275 AromaticContact CE2-CD2 3.84Å; Y957-Y1275 HydrophobicContact CE2-CD2 3.84Å; Y957-Y1275 HydrophobicContact CE2-CE2 4.12Å |
| 958 | T | 89.1 | Confident | 87.3 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -125.2 | 137.8 | -172.6 | 58.4 | 0 | 0 | 0 | 0 | 110.3 | L956 N961 H1106 A1144 L1145 | L956-T958 HydrophobicContact CB-CG2 4.31Å; L956-T958 HydrophobicContact CD2-CG2 3.6Å; L956-T958 HydrophobicContact CG-CG2 3.71Å; L956-T958 PolarHBondContact O-N 2.95Å; T958-N961 WeakPolarHBondContact CB-ND2 3.38Å; T958-N961 PolarHBondContact O-ND2 2.79Å; T958-N961 PolarHBondContact OG1-ND2 3.48Å; T958-H1106 HydrophobicContact CG2-CB 3.82Å; T958-A1144 CarbonylContact O-C 3Å; T958-A1144 VanDerWaalsContact O-CA 3.26Å; T958-A1144 WeakPolarHBondContact O-CA 3.08Å; T958-L1145 PolarHBondContact N-O 2.89Å; T958-L1145 PolarHBondContact O-N 2.86Å; T958-L1145 PolarHBondContact OG1-O 2.88Å |
| 959 | T | 87.3 | Confident | 87.7 | Confident | 56 Ų | 56 | 34.2 Ų | 34.2 | 34% | 0.344 | 18% | 0.175 | S | C | . | . | trans | -115 | -22 | -179.4 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | Y957 N961 K1142 L1143 A1144 | Y957-T959 HydrophobicContact CD1-CG2 4.39Å; Y957-T959 HydrophobicContact CE1-CG2 3.55Å; T959-N961 VanDerWaalsContact C-N 3.34Å; T959-N961 PolarHBondContact O-N 2.94Å; T959-K1142 CarbonylContact O-C 3.18Å; T959-K1142 WeakPolarHBondContact O-CA 3.45Å; T959-L1143 PolarHBondContact O-N 3.04Å; T959-A1144 HydrophobicContact CG2-CB 4.35Å | ||
| 960 | N | 87 | Confident | 87.9 | Confident | 72 Ų | 72 | 37.9 Ų | 37.9 | 39% | 0.385 | 19% | 0.189 | S | C | . | . | trans | -93.2 | 72 | -175.4 | -59.8 | 11.7 | 0 | 0 | 0 | 108.3 | G1105 H1106 G1141 | N960-G1105 WeakPolarHBondContact O-CA 3.12Å; N960-H1106 PolarHBondContact O-N 3.04Å; N960-G1141 CarbonylContact C-O 3.58Å; N960-G1141 VanDerWaalsContact CA-O 3.31Å; N960-G1141 WeakPolarHBondContact CA-O 3.46Å | ||
| 961 | N | 93.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 133.8 | -178.2 | -51 | -73.4 | 0 | 0 | 0 | 111.6 | T958 T959 V963 H1106 A1107 G1141 K1142 L1143 L1145 | T958-N961 WeakPolarHBondContact CB-ND2 3.38Å; T958-N961 PolarHBondContact O-ND2 2.79Å; T958-N961 PolarHBondContact OG1-ND2 3.48Å; T959-N961 VanDerWaalsContact C-N 3.34Å; T959-N961 PolarHBondContact O-N 2.94Å; N961-V963 HydrophobicContact CB-CG2 4.45Å; N961-H1106 PolarHBondContact OD1-N 3.16Å; N961-A1107 WeakPolarHBondContact OD1-CB 3.42Å; N961-A1107 PolarHBondContact OD1-N 3.05Å; N961-G1141 PolarHBondContact N-O 2.66Å; N961-G1141 VanDerWaalsContact N-O 3.16Å; N961-G1141 CarbonylContact O-C 3.44Å; N961-G1141 VanDerWaalsContact O-CA 3.29Å; N961-G1141 WeakPolarHBondContact O-CA 2.91Å; N961-K1142 PolarHBondContact O-N 2.87Å; N961-K1142 VanDerWaalsContact O-N 3.09Å; N961-L1143 PolarHBondContact ND2-O 3.22Å; N961-L1143 WeakPolarHBondContact O-CB 3.07Å; N961-L1143 PolarHBondContact O-N 3.35Å; N961-L1145 HydrophobicContact CB-CD2 4.17Å |
| 962 | E | 94.1 | Very high | 89.5 | Confident | 84 Ų | 84 | 40 Ų | 40 | 39% | 0.393 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 135.3 | 159 | -177 | -170.3 | 178.8 | 0 | 0 | 107.5 | I1103 H1104 | E962-I1103 CarbonylContact O-C 3.54Å; E962-I1103 WeakPolarHBondContact O-CA 3.35Å; E962-H1104 HydrophobicContact CB-CB 4.35Å; E962-H1104 PolarHBondContact N-O 3.33Å; E962-H1104 PolarHBondContact O-N 3.17Å; E962-H1104 IonicContact OE2-ND1 3.59Å |
| 963 | V | 95.6 | Very high | 90.8 | Very high | 15 Ų | 15 | 33.8 Ų | 33.8 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 132 | 178.4 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | N961 L1101 R1102 I1103 L1143 L1145 F1279 | N961-V963 HydrophobicContact CB-CG2 4.45Å; V963-L1101 HydrophobicContact CG1-CB 4.17Å; V963-L1101 HydrophobicContact CG1-CD1 4.19Å; V963-L1101 HydrophobicContact CG1-CD2 4.15Å; V963-L1101 HydrophobicContact CG1-CG 4.4Å; V963-R1102 CarbonylContact C-O 3.6Å; V963-R1102 WeakPolarHBondContact CA-O 3.41Å; V963-I1103 HydrophobicContact CG1-CG1 4.21Å; V963-I1103 HydrophobicContact CG2-CG1 4.24Å; V963-I1103 HydrophobicContact CG2-CG2 4.39Å; V963-L1143 HydrophobicContact CB-CD1 3.63Å; V963-L1143 HydrophobicContact CG2-CB 4.32Å; V963-L1143 HydrophobicContact CG2-CD1 3.75Å; V963-L1145 HydrophobicContact CG2-CD2 3.7Å; V963-F1279 HydrophobicContact CB-CE2 4.39Å; V963-F1279 HydrophobicContact CG1-CE2 3.9Å; V963-F1279 HydrophobicContact CG1-CZ 3.93Å |
| 964 | I | 96.3 | Very high | 92.2 | Very high | 61 Ų | 61 | 35.7 Ų | 35.7 | 31% | 0.313 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124 | 173.4 | -57.5 | 178.6 | 0 | 0 | 0 | 107.8 | Y966 L1101 R1102 | I964-Y966 HydrophobicContact CB-CE2 4.25Å; I964-Y966 HydrophobicContact CG2-CD2 4.43Å; I964-Y966 HydrophobicContact CG2-CE1 4.45Å; I964-Y966 HydrophobicContact CG2-CE2 3.8Å; I964-L1101 WeakPolarHBondContact O-CA 3.38Å; I964-R1102 HydrophobicContact CB-CB 4.38Å; I964-R1102 PolarHBondContact N-O 2.94Å; I964-R1102 PolarHBondContact O-N 3.43Å |
| 965 | L | 97.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 34.8 Ų | 34.8 | 9% | 0.089 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.9 | 173.5 | 174.2 | 64.7 | 0 | 0 | 0 | 110.3 | T967 N1099 L1101 F1279 E1282 L1283 | L965-T967 HydrophobicContact CD1-CG2 4.48Å; L965-T967 HydrophobicContact CD2-CG2 4.04Å; L965-T967 HydrophobicContact CG-CG2 4.01Å; L965-N1099 HydrophobicContact CD1-CB 4.16Å; L965-L1101 HydrophobicContact CD1-CD2 3.87Å; L965-F1279 HydrophobicContact CB-CE2 4.05Å; L965-F1279 HydrophobicContact CB-CZ 4.33Å; L965-E1282 HydrophobicContact CD2-CG 4.31Å; L965-L1283 HydrophobicContact CD1-CD2 3.83Å; L965-L1283 HydrophobicContact CD2-CD2 3.55Å; L965-L1283 HydrophobicContact CD2-CG 3.99Å; L965-L1283 HydrophobicContact CG-CD2 4.35Å |
| 966 | Y | 97.9 | Very high | 94.2 | Very high | 31 Ų | 31 | 34.5 Ų | 34.5 | 12% | 0.122 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.9 | 164.9 | -64.5 | -83.3 | 0 | 0 | 0 | 110.3 | I964 E971 K972 A975 H1100 R1102 | I964-Y966 HydrophobicContact CB-CE2 4.25Å; I964-Y966 HydrophobicContact CG2-CD2 4.43Å; I964-Y966 HydrophobicContact CG2-CE1 4.45Å; I964-Y966 HydrophobicContact CG2-CE2 3.8Å; Y966-E971 HydrophobicContact CD1-CB 3.9Å; Y966-E971 HydrophobicContact CE1-CB 4.36Å; Y966-K972 HydrophobicContact CD1-CB 4.26Å; Y966-K972 HydrophobicContact CD2-CB 4.45Å; Y966-K972 HydrophobicContact CD2-CG 4.47Å; Y966-K972 HydrophobicContact CG-CB 3.88Å; Y966-K972 HydrophobicContact CG-CG 4.36Å; Y966-A975 HydrophobicContact CE1-CB 3.96Å; Y966-A975 HydrophobicContact CE2-CB 4.34Å; Y966-A975 VanDerWaalsContact OH-CB 3.26Å; Y966-A975 WeakPolarHBondContact OH-CB 3.02Å; Y966-H1100 PolarHBondContact N-O 3.49Å; Y966-H1100 PolarHBondContact O-N 2.74Å; Y966-R1102 HydrophobicContact CD2-CB 4.43Å; Y966-R1102 HydrophobicContact CE2-CB 3.74Å |
| 967 | T | 95.9 | Very high | 94.9 | Very high | 42 Ų | 42 | 35.4 Ų | 35.4 | 26% | 0.258 | 18% | 0.18 | S | C | . | . | trans | -114.3 | -10.4 | -180 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | L965 R1097 D1098 A1286 | L965-T967 HydrophobicContact CD1-CG2 4.48Å; L965-T967 HydrophobicContact CD2-CG2 4.04Å; L965-T967 HydrophobicContact CG-CG2 4.01Å; T967-R1097 VanDerWaalsContact CA-NH1 3.32Å; T967-R1097 PolarHBondContact O-NH1 3.46Å; T967-D1098 CarbonylContact C-O 3.45Å; T967-D1098 WeakPolarHBondContact CA-O 3.46Å; T967-A1286 HydrophobicContact CG2-CB 4.17Å | ||
| 968 | D | 95.6 | Very high | 95.3 | Very high | 34 Ų | 34 | 40.4 Ų | 40.4 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -120.9 | 145.5 | 176.6 | 177 | -87.9 | 0 | 0 | 0 | 110.4 | R970 E971 K972 Y1095 | D968-R970 WeakPolarHBondContact OD1-CA 3.41Å; D968-R970 WeakPolarHBondContact OD1-CB 3.35Å; D968-R970 PolarHBondContact OD1-N 3.36Å; D968-E971 HydrophobicContact CB-CB 4.33Å; D968-E971 HydrophobicContact CB-CG 4.09Å; D968-E971 PolarHBondContact OD1-N 3.11Å; D968-K972 WeakPolarHBondContact O-CB 3.34Å; D968-K972 PolarHBondContact O-N 3.46Å; D968-Y1095 WeakPolarHBondContact OD2-CE2 3.49Å; D968-Y1095 PolarHBondContact OD2-OH 2.72Å |
| 969 | G | 94 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.2 | -39.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K972 F973 F1080 | G969-K972 PolarHBondContact O-N 2.67Å; G969-F973 WeakPolarHBondContact O-CB 3.09Å; G969-F973 VanDerWaalsContact O-CD2 3.25Å; G969-F973 WeakPolarHBondContact O-CD2 3.42Å; G969-F973 PolarHBondContact O-N 2.86Å; G969-F1080 VanDerWaalsContact N-CZ 3.28Å |
| 970 | R | 95.2 | Very high | 96.2 | Very high | 77 Ų | 77 | 37.9 Ų | 37.9 | 29% | 0.291 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.2 | -44.2 | -178.9 | 177.5 | 48.9 | 70 | 176.7 | 3.7 | 110.2 | D968 K972 F973 D974 E1002 L1087 | D968-R970 WeakPolarHBondContact OD1-CA 3.41Å; D968-R970 WeakPolarHBondContact OD1-CB 3.35Å; D968-R970 PolarHBondContact OD1-N 3.36Å; R970-K972 VanDerWaalsContact C-N 3.31Å; R970-K972 PolarHBondContact O-N 2.93Å; R970-F973 PolarHBondContact O-N 2.64Å; R970-D974 WeakPolarHBondContact CD-OD1 3.46Å; R970-D974 VanDerWaalsContact CD-OD2 3.27Å; R970-D974 WeakPolarHBondContact CD-OD2 3.38Å; R970-D974 IonicContact CZ-OD1 3.51Å; R970-D974 IonicContact NE-OD1 3.28Å; R970-D974 IonicContact NH1-OD1 3.59Å; R970-D974 PolarHBondContact NH1-OD1 3.46Å; R970-D974 WeakPolarHBondContact O-CB 3.23Å; R970-D974 VanDerWaalsContact O-CG 3.26Å; R970-D974 PolarHBondContact O-N 3.27Å; R970-E1002 IonicContact CZ-OE1 2.69Å; R970-E1002 IonicContact CZ-OE2 3.99Å; R970-E1002 IonicContact NH1-OE1 2.77Å; R970-E1002 PolarHBondContact NH1-OE1 3.14Å; R970-E1002 IonicContact NH1-OE2 3.91Å; R970-E1002 PolarHBondContact NH1-OE2 3.24Å; R970-E1002 IonicContact NH2-OE1 3.79Å; R970-E1002 PolarHBondContact NH2-OE1 2.96Å; R970-E1002 IonicContact NH2-OE2 3.13Å; R970-L1087 HydrophobicContact CB-CD2 4Å; R970-L1087 VanDerWaalsContact NH2-CD1 3.35Å |
| 971 | E | 96.9 | Very high | 96.7 | Very high | 113 Ų | 113 | 38.2 Ų | 38.2 | 53% | 0.528 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -56 | -45.2 | 173.3 | -65.2 | -175.4 | 163.3 | 0 | 0 | 112.2 | Y966 D968 A975 | Y966-E971 HydrophobicContact CD1-CB 3.9Å; Y966-E971 HydrophobicContact CE1-CB 4.36Å; D968-E971 HydrophobicContact CB-CB 4.33Å; D968-E971 HydrophobicContact CB-CG 4.09Å; D968-E971 PolarHBondContact OD1-N 3.11Å; E971-A975 WeakPolarHBondContact O-CB 3.35Å; E971-A975 PolarHBondContact O-N 3.23Å |
| 972 | K | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 177.5 | 179.6 | -98 | 173.7 | 172.5 | 0 | 112.4 | Y966 D968 G969 R970 L976 Y991 F1080 H1100 | Y966-K972 HydrophobicContact CD1-CB 4.26Å; Y966-K972 HydrophobicContact CD2-CB 4.45Å; Y966-K972 HydrophobicContact CD2-CG 4.47Å; Y966-K972 HydrophobicContact CG-CB 3.88Å; Y966-K972 HydrophobicContact CG-CG 4.36Å; D968-K972 WeakPolarHBondContact O-CB 3.34Å; D968-K972 PolarHBondContact O-N 3.46Å; G969-K972 PolarHBondContact O-N 2.67Å; R970-K972 VanDerWaalsContact C-N 3.31Å; R970-K972 PolarHBondContact O-N 2.93Å; K972-L976 WeakPolarHBondContact O-CB 3.24Å; K972-L976 PolarHBondContact O-N 2.77Å; K972-Y991 PolarHBondContact NZ-OH 3.49Å; K972-F1080 HydrophobicContact CB-CD2 4.26Å; K972-F1080 HydrophobicContact CB-CE2 4.45Å; K972-F1080 HydrophobicContact CD-CB 4.4Å; K972-F1080 HydrophobicContact CD-CD2 4.33Å; K972-F1080 HydrophobicContact CG-CD2 4.21Å; K972-H1100 WeakPolarHBondContact CE-NE2 3.48Å; K972-H1100 HydrophobicContact CG-CB 4.26Å |
| 973 | F | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -78 | -36.4 | -175.6 | -85.6 | -71.3 | 0 | 0 | 0 | 112.9 | G969 R970 A975 L976 I977 L999 V1003 F1080 N1081 V1082 L1087 | G969-F973 WeakPolarHBondContact O-CB 3.09Å; G969-F973 VanDerWaalsContact O-CD2 3.25Å; G969-F973 WeakPolarHBondContact O-CD2 3.42Å; G969-F973 PolarHBondContact O-N 2.86Å; R970-F973 PolarHBondContact O-N 2.64Å; F973-A975 VanDerWaalsContact C-N 3.29Å; F973-A975 PolarHBondContact O-N 3.13Å; F973-L976 HydrophobicContact CD1-CD2 3.98Å; F973-L976 HydrophobicContact CE1-CD2 3.91Å; F973-L976 PolarHBondContact O-N 3.06Å; F973-I977 WeakPolarHBondContact O-CB 3.09Å; F973-I977 VanDerWaalsContact O-CG1 3.28Å; F973-I977 WeakPolarHBondContact O-CG1 3.05Å; F973-I977 PolarHBondContact O-N 3.38Å; F973-L999 HydrophobicContact CB-CD1 3.88Å; F973-L999 HydrophobicContact CD1-CD1 3.97Å; F973-L999 HydrophobicContact CD1-CD2 4.43Å; F973-L999 HydrophobicContact CD2-CD1 4.18Å; F973-L999 HydrophobicContact CD2-CD2 3.6Å; F973-L999 HydrophobicContact CD2-CG 4.5Å; F973-L999 HydrophobicContact CE1-CD2 4.47Å; F973-L999 HydrophobicContact CE2-CD2 3.66Å; F973-L999 HydrophobicContact CG-CD1 3.75Å; F973-L999 HydrophobicContact CG-CD2 4.03Å; F973-L999 HydrophobicContact CG-CG 4.46Å; F973-L999 HydrophobicContact CZ-CD2 4.09Å; F973-V1003 HydrophobicContact CD1-CG2 3.79Å; F973-V1003 HydrophobicContact CE1-CG2 3.9Å; F973-F1080 HydrophobicContact CE2-CB 4.45Å; F973-N1081 VanDerWaalsContact CE2-O 3.25Å; F973-N1081 WeakPolarHBondContact CE2-O 3.42Å; F973-N1081 WeakPolarHBondContact CZ-O 3.49Å; F973-V1082 HydrophobicContact CE1-CG2 3.96Å; F973-V1082 HydrophobicContact CZ-CB 4.38Å; F973-V1082 HydrophobicContact CZ-CG2 3.91Å; F973-L1087 HydrophobicContact CD2-CD2 4.48Å |
| 974 | D | 97.4 | Very high | 96.8 | Very high | 79 Ų | 79 | 47.6 Ų | 47.6 | 42% | 0.422 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.6 | -38.4 | 172.3 | -68.8 | -6.8 | 0 | 0 | 0 | 111 | R970 K978 | R970-D974 WeakPolarHBondContact CD-OD1 3.46Å; R970-D974 VanDerWaalsContact CD-OD2 3.27Å; R970-D974 WeakPolarHBondContact CD-OD2 3.38Å; R970-D974 IonicContact CZ-OD1 3.51Å; R970-D974 IonicContact NE-OD1 3.28Å; R970-D974 IonicContact NH1-OD1 3.59Å; R970-D974 PolarHBondContact NH1-OD1 3.46Å; R970-D974 WeakPolarHBondContact O-CB 3.23Å; R970-D974 VanDerWaalsContact O-CG 3.26Å; R970-D974 PolarHBondContact O-N 3.27Å; D974-K978 WeakPolarHBondContact O-CB 3.28Å; D974-K978 PolarHBondContact O-N 2.8Å |
| 975 | A | 97.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 12% | 0.116 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.4 | -46.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y966 E971 F973 K978 D979 Y1076 | Y966-A975 HydrophobicContact CE1-CB 3.96Å; Y966-A975 HydrophobicContact CE2-CB 4.34Å; Y966-A975 VanDerWaalsContact OH-CB 3.26Å; Y966-A975 WeakPolarHBondContact OH-CB 3.02Å; E971-A975 WeakPolarHBondContact O-CB 3.35Å; E971-A975 PolarHBondContact O-N 3.23Å; F973-A975 VanDerWaalsContact C-N 3.29Å; F973-A975 PolarHBondContact O-N 3.13Å; A975-K978 WeakPolarHBondContact O-CB 3.42Å; A975-K978 PolarHBondContact O-N 3.5Å; A975-D979 PolarHBondContact O-N 3.41Å; A975-Y1076 VanDerWaalsContact C-OH 3.31Å; A975-Y1076 PolarHBondContact O-OH 2.82Å |
| 976 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.2 | -46 | 177.9 | 175.8 | 59 | 0 | 0 | 0 | 111.9 | K972 F973 K978 D979 I980 M989 V1068 I1070 Y1076 | K972-L976 WeakPolarHBondContact O-CB 3.24Å; K972-L976 PolarHBondContact O-N 2.77Å; F973-L976 HydrophobicContact CD1-CD2 3.98Å; F973-L976 HydrophobicContact CE1-CD2 3.91Å; F973-L976 PolarHBondContact O-N 3.06Å; L976-K978 VanDerWaalsContact C-N 3.31Å; L976-K978 PolarHBondContact O-N 2.91Å; L976-D979 PolarHBondContact O-N 3.25Å; L976-I980 HydrophobicContact CD1-CD1 3.93Å; L976-I980 HydrophobicContact CD1-CG1 4.25Å; L976-I980 HydrophobicContact CG-CD1 3.85Å; L976-I980 WeakPolarHBondContact O-CB 3.01Å; L976-I980 VanDerWaalsContact O-CG1 3.3Å; L976-I980 WeakPolarHBondContact O-CG1 3.32Å; L976-I980 PolarHBondContact O-N 2.79Å; L976-M989 HydrophobicContact CD2-CE 4.34Å; L976-V1068 HydrophobicContact CD1-CB 4.27Å; L976-V1068 HydrophobicContact CD1-CG1 4.12Å; L976-V1068 HydrophobicContact CD1-CG2 4.06Å; L976-V1068 HydrophobicContact CD2-CG2 4.28Å; L976-I1070 HydrophobicContact CD1-CD1 4.16Å; L976-Y1076 HydrophobicContact CB-CE1 4.08Å; L976-Y1076 HydrophobicContact CD1-CD1 4.46Å; L976-Y1076 HydrophobicContact CD1-CD2 3.8Å; L976-Y1076 HydrophobicContact CD1-CE1 4.45Å; L976-Y1076 HydrophobicContact CD1-CE2 3.8Å; L976-Y1076 HydrophobicContact CD1-CG 4.15Å; L976-Y1076 PolarHBondContact N-OH 2.99Å |
| 977 | I | 98.3 | Very high | 96.7 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 14% | 0.138 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -38.2 | 177 | -71.2 | 166.1 | 0 | 0 | 0 | 110.6 | F973 I980 N981 E1002 V1003 A1006 | F973-I977 WeakPolarHBondContact O-CB 3.09Å; F973-I977 VanDerWaalsContact O-CG1 3.28Å; F973-I977 WeakPolarHBondContact O-CG1 3.05Å; F973-I977 PolarHBondContact O-N 3.38Å; I977-I980 PolarHBondContact O-N 3.17Å; I977-N981 WeakPolarHBondContact CG2-ND2 3.39Å; I977-N981 WeakPolarHBondContact O-CB 3.44Å; I977-N981 PolarHBondContact O-N 2.73Å; I977-N981 PolarHBondContact O-ND2 3.23Å; I977-E1002 HydrophobicContact CD1-CB 4.03Å; I977-V1003 HydrophobicContact CD1-CG2 4.41Å; I977-A1006 HydrophobicContact CG1-CB 4.31Å; I977-A1006 HydrophobicContact CG2-CB 4.08Å |
| 978 | K | 97.3 | Very high | 96.8 | Very high | 121 Ų | 121 | 47.1 Ų | 47.1 | 53% | 0.526 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.2 | -38.4 | 175.2 | 177.3 | -177.3 | 178.9 | -175.8 | 0 | 112.7 | D974 A975 L976 R982 | D974-K978 WeakPolarHBondContact O-CB 3.28Å; D974-K978 PolarHBondContact O-N 2.8Å; A975-K978 WeakPolarHBondContact O-CB 3.42Å; A975-K978 PolarHBondContact O-N 3.5Å; L976-K978 VanDerWaalsContact C-N 3.31Å; L976-K978 PolarHBondContact O-N 2.91Å; K978-R982 VanDerWaalsContact O-CD 3.3Å; K978-R982 WeakPolarHBondContact O-CD 3.38Å; K978-R982 VanDerWaalsContact O-CG 3.26Å; K978-R982 WeakPolarHBondContact O-CG 3.5Å; K978-R982 PolarHBondContact O-N 3.04Å |
| 979 | D | 98.5 | Very high | 96.9 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -76.7 | -38 | 175.4 | -72.2 | -25.1 | 0 | 0 | 0 | 112.4 | A975 L976 N981 R982 A983 I1070 Y1076 R1102 | A975-D979 PolarHBondContact O-N 3.41Å; L976-D979 PolarHBondContact O-N 3.25Å; D979-N981 PolarHBondContact O-N 2.89Å; D979-R982 CarbonylContact O-C 3.58Å; D979-R982 WeakPolarHBondContact O-CA 3.4Å; D979-R982 WeakPolarHBondContact O-CB 3.42Å; D979-R982 PolarHBondContact O-N 2.85Å; D979-A983 PolarHBondContact O-N 2.87Å; D979-I1070 HydrophobicContact CB-CD1 3.73Å; D979-Y1076 PolarHBondContact OD2-OH 3.19Å; D979-R1102 IonicContact OD1-NH2 2.66Å; D979-R1102 PolarHBondContact OD1-NH2 3.26Å; D979-R1102 IonicContact OD2-CZ 3.25Å; D979-R1102 VanDerWaalsContact OD2-CZ 3.25Å; D979-R1102 IonicContact OD2-NE 3.58Å; D979-R1102 PolarHBondContact OD2-NE 2.79Å; D979-R1102 IonicContact OD2-NH2 2.91Å; D979-R1102 PolarHBondContact OD2-NH2 2.99Å |
| 980 | I | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.9 | -37.6 | 171.2 | -72.8 | 167.6 | 0 | 0 | 0 | 111.4 | L976 I977 R982 I987 M989 A1006 L1007 A1010 R1013 I1070 | L976-I980 HydrophobicContact CD1-CD1 3.93Å; L976-I980 HydrophobicContact CD1-CG1 4.25Å; L976-I980 HydrophobicContact CG-CD1 3.85Å; L976-I980 WeakPolarHBondContact O-CB 3.01Å; L976-I980 VanDerWaalsContact O-CG1 3.3Å; L976-I980 WeakPolarHBondContact O-CG1 3.32Å; L976-I980 PolarHBondContact O-N 2.79Å; I977-I980 PolarHBondContact O-N 3.17Å; I980-R982 PolarHBondContact O-N 3.39Å; I980-I987 HydrophobicContact CB-CD1 4.22Å; I980-I987 HydrophobicContact CG1-CD1 4.16Å; I980-I987 HydrophobicContact CG2-CD1 3.81Å; I980-M989 HydrophobicContact CD1-CE 3.73Å; I980-A1006 HydrophobicContact CB-CB 4.4Å; I980-A1006 VanDerWaalsContact CG2-C 3.47Å; I980-A1006 HydrophobicContact CG2-CB 3.64Å; I980-A1006 VanDerWaalsContact CG2-O 3.26Å; I980-A1006 WeakPolarHBondContact CG2-O 3.25Å; I980-L1007 HydrophobicContact CD1-CD2 4.09Å; I980-L1007 HydrophobicContact CG1-CD2 4.47Å; I980-L1007 HydrophobicContact CG2-CD2 4.22Å; I980-A1010 HydrophobicContact CG2-CB 4.34Å; I980-R1013 PolarHBondContact O-NH2 3.05Å; I980-I1070 HydrophobicContact CG1-CD1 3.95Å |
| 981 | N | 96.7 | Very high | 97.1 | Very high | 79 Ų | 79 | 41.9 Ų | 41.9 | 42% | 0.422 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -10.8 | 174.3 | -77.7 | -53.6 | 0 | 0 | 0 | 114.2 | I977 D979 | I977-N981 WeakPolarHBondContact CG2-ND2 3.39Å; I977-N981 WeakPolarHBondContact O-CB 3.44Å; I977-N981 PolarHBondContact O-N 2.73Å; I977-N981 PolarHBondContact O-ND2 3.23Å; D979-N981 PolarHBondContact O-N 2.89Å |
| 982 | R | 96 | Very high | 96.9 | Very high | 161 Ų | 161 | 38.3 Ų | 38.3 | 61% | 0.608 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -19.1 | 175.9 | -71.7 | 165.5 | 166.4 | -158.4 | -13.4 | 113.7 | K978 D979 I980 | K978-R982 VanDerWaalsContact O-CD 3.3Å; K978-R982 WeakPolarHBondContact O-CD 3.38Å; K978-R982 VanDerWaalsContact O-CG 3.26Å; K978-R982 WeakPolarHBondContact O-CG 3.5Å; K978-R982 PolarHBondContact O-N 3.04Å; D979-R982 CarbonylContact O-C 3.58Å; D979-R982 WeakPolarHBondContact O-CA 3.4Å; D979-R982 WeakPolarHBondContact O-CB 3.42Å; D979-R982 PolarHBondContact O-N 2.85Å; I980-R982 PolarHBondContact O-N 3.39Å |
| 983 | A | 96.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | trans | -52 | 140.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D979 I987 R1013 V1015 I1070 D1071 | D979-A983 PolarHBondContact O-N 2.87Å; A983-I987 HydrophobicContact CB-CD1 3.75Å; A983-I987 HydrophobicContact CB-CG1 3.74Å; A983-R1013 PolarHBondContact O-NH2 3.26Å; A983-V1015 HydrophobicContact CB-CG1 4.05Å; A983-V1015 HydrophobicContact CB-CG2 4.47Å; A983-V1015 VanDerWaalsContact O-CG2 3.29Å; A983-V1015 WeakPolarHBondContact O-CG2 2.76Å; A983-I1070 HydrophobicContact CB-CG2 3.58Å; A983-D1071 WeakPolarHBondContact CA-OD2 3.43Å | ||
| 984 | K | 92.5 | Very high | 96.6 | Very high | 131 Ų | 131 | 39.2 Ų | 39.2 | 57% | 0.57 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -118.8 | -33.9 | -172.7 | -58.2 | 171.5 | -167.3 | 149.6 | 0 | 113.8 | D1071 | K984-D1071 PolarHBondContact N-OD1 2.65Å; K984-D1071 PolarHBondContact N-OD2 3.45Å |
| 985 | Y | 94.4 | Very high | 96.4 | Very high | 139 Ų | 139 | 37.3 Ų | 37.3 | 55% | 0.545 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -119.7 | -56.5 | -166.6 | -52.7 | -60.4 | 0 | 0 | 0 | 112.2 | K1016 D1071 | Y985-K1016 PolarHBondContact O-N 3.03Å; Y985-D1071 WeakPolarHBondContact CA-OD1 3.43Å; Y985-D1071 WeakPolarHBondContact CB-OD1 3.33Å; Y985-D1071 HydrophobicContact CD2-CB 4.05Å; Y985-D1071 PolarHBondContact N-OD1 3.45Å |
| 986 | H | 96.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 153.6 | 179.5 | 64.4 | -89.8 | 0 | 0 | 0 | 113.7 | H988 K1016 D1071 G1072 Q1112 D1132 Y1133 | H986-H988 AromaticContact CD2-CE1 3.95Å; H986-H988 AromaticContact CD2-ND1 3.94Å; H986-K1016 CarbonylContact C-O 3.56Å; H986-K1016 VanDerWaalsContact CA-O 3.22Å; H986-K1016 WeakPolarHBondContact CA-O 3.32Å; H986-K1016 HydrophobicContact CB-CB 4.02Å; H986-K1016 WeakPolarHBondContact CB-O 3.46Å; H986-D1071 PolarHBondContact CE1-O 3.18Å; H986-D1071 PolarHBondContact N-OD1 3.25Å; H986-D1071 PolarHBondContact O-N 3.33Å; H986-G1072 PolarHBondContact CE1-N 3.21Å; H986-G1072 WeakPolarHBondContact NE2-CA 3.5Å; H986-G1072 PolarHBondContact NE2-N 2.82Å; H986-Q1112 PolarHBondContact NE2-NE2 3.26Å; H986-D1132 PolarHBondContact CE1-O 3.03Å; H986-Y1133 VanDerWaalsContact CE1-CA 3.45Å; H986-Y1133 WeakPolarHBondContact CE1-CA 3.49Å; H986-Y1133 AromaticContact ND1-CD1 3.89Å |
| 987 | I | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 120.6 | 167.2 | -62.1 | 163.4 | 0 | 0 | 0 | 107.2 | I980 A983 L1007 A1010 V1015 K1016 V1017 R1018 V1068 V1069 I1070 | I980-I987 HydrophobicContact CB-CD1 4.22Å; I980-I987 HydrophobicContact CG1-CD1 4.16Å; I980-I987 HydrophobicContact CG2-CD1 3.81Å; A983-I987 HydrophobicContact CB-CD1 3.75Å; A983-I987 HydrophobicContact CB-CG1 3.74Å; I987-L1007 HydrophobicContact CD1-CD2 4.16Å; I987-L1007 HydrophobicContact CG2-CD2 3.87Å; I987-A1010 HydrophobicContact CD1-CB 3.58Å; I987-V1015 HydrophobicContact CD1-CG1 4.12Å; I987-V1015 HydrophobicContact CG1-CG1 3.95Å; I987-K1016 PolarHBondContact N-O 2.98Å; I987-V1017 HydrophobicContact CB-CG2 4.41Å; I987-V1017 HydrophobicContact CD1-CG2 4.33Å; I987-V1017 CarbonylContact O-C 3.51Å; I987-V1017 WeakPolarHBondContact O-CA 3.34Å; I987-R1018 PolarHBondContact O-N 3.03Å; I987-V1068 HydrophobicContact CG2-CG1 4.21Å; I987-V1069 WeakPolarHBondContact CA-O 3.33Å; I987-I1070 HydrophobicContact CG1-CG1 4.4Å; I987-I1070 HydrophobicContact CG1-CG2 4.37Å; I987-I1070 HydrophobicContact CG2-CG1 4.44Å |
| 988 | H | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 121.2 | 172.9 | -72.3 | 168.3 | 0 | 0 | 0 | 107.8 | H986 R1018 V1068 V1069 Q1112 F1115 Y1133 | H986-H988 AromaticContact CD2-CE1 3.95Å; H986-H988 AromaticContact CD2-ND1 3.94Å; H988-R1018 PolarHBondContact NE2-NH1 3.4Å; H988-V1068 CarbonylContact O-C 3.54Å; H988-V1068 VanDerWaalsContact O-CA 3.3Å; H988-V1068 WeakPolarHBondContact O-CA 3.36Å; H988-V1068 WeakPolarHBondContact O-CG1 3.27Å; H988-V1069 HydrophobicContact CB-CB 4.4Å; H988-V1069 PolarHBondContact N-O 3.35Å; H988-V1069 PolarHBondContact O-N 2.88Å; H988-Q1112 PolarHBondContact ND1-OE1 3.13Å; H988-F1115 HydrophobicContact CB-CD1 3.48Å; H988-F1115 VanDerWaalsContact CB-CD1 3.48Å; H988-F1115 HydrophobicContact CB-CD2 4.2Å; H988-F1115 HydrophobicContact CB-CE1 3.46Å; H988-F1115 VanDerWaalsContact CB-CE1 3.46Å; H988-F1115 HydrophobicContact CB-CE2 4.19Å; H988-F1115 HydrophobicContact CB-CG 3.87Å; H988-F1115 HydrophobicContact CB-CZ 3.83Å; H988-F1115 AromaticContact CD2-CE1 3.81Å; H988-F1115 AromaticContact CG-CD1 3.61Å; H988-F1115 AromaticContact CG-CE1 3.43Å; H988-F1115 VanDerWaalsContact CG-CE1 3.43Å; H988-F1115 AromaticContact ND1-CD1 3.72Å; H988-F1115 AromaticContact ND1-CE1 3.87Å; H988-Y1133 AromaticContact CE1-CD1 3.77Å; H988-Y1133 AromaticContact CE1-CE1 3.75Å; H988-Y1133 AromaticContact NE2-CE1 3.96Å |
| 989 | M | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 130.2 | -172.3 | -179.3 | 173.7 | -69.9 | 0 | 0 | 111.7 | L976 I980 Y991 V1003 L1007 R1018 L1019 L1020 I1067 V1068 F1115 | L976-M989 HydrophobicContact CD2-CE 4.34Å; I980-M989 HydrophobicContact CD1-CE 3.73Å; M989-Y991 HydrophobicContact CE-CE2 4.33Å; M989-Y991 HydrophobicContact CG-CD2 3.69Å; M989-Y991 HydrophobicContact CG-CE2 3.62Å; M989-Y991 HydrophobicContact SD-CD2 3.99Å; M989-Y991 HydrophobicContact SD-CE2 3.74Å; M989-V1003 HydrophobicContact CE-CG1 4.28Å; M989-V1003 HydrophobicContact SD-CG1 4.15Å; M989-L1007 HydrophobicContact CE-CD1 4.44Å; M989-L1007 HydrophobicContact CE-CD2 4.16Å; M989-L1007 HydrophobicContact SD-CD1 3.93Å; M989-R1018 PolarHBondContact N-O 3.02Å; M989-L1019 HydrophobicContact CB-CD1 3.89Å; M989-L1019 HydrophobicContact CG-CD1 3.63Å; M989-L1019 CarbonylContact O-C 3.55Å; M989-L1019 WeakPolarHBondContact O-CA 3.09Å; M989-L1019 HydrophobicContact SD-CD1 3.76Å; M989-L1020 PolarHBondContact O-N 3.07Å; M989-I1067 CarbonylContact C-O 3.44Å; M989-I1067 WeakPolarHBondContact CA-O 3.2Å; M989-V1068 HydrophobicContact CB-CG1 4.2Å; M989-V1068 HydrophobicContact CE-CG1 3.75Å; M989-V1068 HydrophobicContact CE-CG2 3.97Å; M989-V1068 HydrophobicContact CG-CG1 4.42Å; M989-V1068 HydrophobicContact CG-CG2 4.22Å; M989-F1115 WeakPolarHBondContact O-CE2 3.05Å |
| 990 | E | 95.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135.3 | 176.1 | -179.7 | 172 | 82.8 | 0 | 0 | 111.9 | L1020 N1063 R1065 K1066 I1067 F1115 D1118 | E990-L1020 VanDerWaalsContact CA-O 3.23Å; E990-L1020 WeakPolarHBondContact CA-O 2.99Å; E990-L1020 HydrophobicContact CB-CB 4.4Å; E990-L1020 HydrophobicContact CG-CB 4.37Å; E990-L1020 HydrophobicContact CG-CG 4.41Å; E990-L1020 WeakPolarHBondContact OE2-CD2 3.25Å; E990-N1063 PolarHBondContact OE1-ND2 3.5Å; E990-N1063 PolarHBondContact OE2-ND2 3.03Å; E990-R1065 WeakPolarHBondContact OE1-CB 3.44Å; E990-K1066 CarbonylContact O-C 3.57Å; E990-K1066 WeakPolarHBondContact O-CA 3.34Å; E990-I1067 HydrophobicContact CB-CB 4.47Å; E990-I1067 PolarHBondContact N-O 3.01Å; E990-I1067 PolarHBondContact O-N 3.01Å; E990-F1115 HydrophobicContact CB-CD2 3.96Å; E990-F1115 HydrophobicContact CB-CE2 4.14Å; E990-D1118 WeakPolarHBondContact OE2-CB 3.44Å |
| 991 | Y | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 143 | 175.6 | -80.5 | -85.7 | 0 | 0 | 0 | 113.3 | K972 M989 L1020 L1021 D1022 K1066 V1068 F1080 V1082 | K972-Y991 PolarHBondContact NZ-OH 3.49Å; M989-Y991 HydrophobicContact CE-CE2 4.33Å; M989-Y991 HydrophobicContact CG-CD2 3.69Å; M989-Y991 HydrophobicContact CG-CE2 3.62Å; M989-Y991 HydrophobicContact SD-CD2 3.99Å; M989-Y991 HydrophobicContact SD-CE2 3.74Å; Y991-L1020 PolarHBondContact N-O 2.64Å; Y991-L1020 VanDerWaalsContact N-O 3.13Å; Y991-L1021 WeakPolarHBondContact O-CA 3.4Å; Y991-D1022 PolarHBondContact O-N 2.98Å; Y991-D1022 VanDerWaalsContact O-N 3.11Å; Y991-K1066 HydrophobicContact CD1-CB 3.81Å; Y991-K1066 HydrophobicContact CD1-CG 3.61Å; Y991-K1066 HydrophobicContact CE1-CB 3.75Å; Y991-K1066 HydrophobicContact CE1-CG 3.93Å; Y991-V1068 HydrophobicContact CE2-CG2 3.9Å; Y991-F1080 WeakPolarHBondContact CE1-O 3.27Å; Y991-V1082 HydrophobicContact CD1-CG2 3.96Å; Y991-V1082 HydrophobicContact CD2-CG2 3.94Å; Y991-V1082 HydrophobicContact CE1-CG2 4.04Å; Y991-V1082 HydrophobicContact CE2-CG2 4.03Å; Y991-V1082 HydrophobicContact CG-CG2 3.93Å |
| 992 | Y | 92.7 | Very high | 95.3 | Very high | 37 Ų | 37 | 41.3 Ų | 41.3 | 15% | 0.145 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -65.8 | -60 | 169.3 | 178.6 | -130.4 | 0 | 0 | 0 | 112.5 | D1022 G1025 S1026 R1062 N1063 H1064 R1065 | Y992-D1022 HydrophobicContact CD2-CB 3.6Å; Y992-D1022 HydrophobicContact CE2-CB 4.19Å; Y992-G1025 CarbonylContact O-C 3.56Å; Y992-G1025 VanDerWaalsContact O-CA 3.31Å; Y992-G1025 WeakPolarHBondContact O-CA 3.44Å; Y992-S1026 PolarHBondContact O-N 3.28Å; Y992-S1026 PolarHBondContact O-OG 3.43Å; Y992-R1062 HydrophobicContact CD2-CB 4.49Å; Y992-R1062 HydrophobicContact CE2-CB 3.98Å; Y992-R1062 HydrophobicContact CE2-CG 4.22Å; Y992-N1063 WeakPolarHBondContact CA-O 3.26Å; Y992-N1063 WeakPolarHBondContact CB-O 3.25Å; Y992-N1063 WeakPolarHBondContact CD2-O 3.48Å; Y992-H1064 AromaticContact CD1-CD2 3.79Å; Y992-H1064 AromaticContact CD2-CD2 3.55Å; Y992-H1064 AromaticContact CE1-CD2 3.79Å; Y992-H1064 AromaticContact CE1-NE2 3.7Å; Y992-H1064 AromaticContact CE2-CD2 3.56Å; Y992-H1064 AromaticContact CE2-NE2 3.78Å; Y992-H1064 AromaticContact CG-CD2 3.69Å; Y992-H1064 AromaticContact CZ-CD2 3.68Å; Y992-H1064 AromaticContact CZ-NE2 3.49Å; Y992-R1065 PolarHBondContact N-O 3.32Å |
| 993 | I | 93.3 | Very high | 95.4 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 10% | 0.103 | 16% | 0.162 | C | C | . | . | trans | -105.6 | 127.9 | 177.9 | -69 | 160.4 | 0 | 0 | 0 | 109.3 | R995 N1081 V1082 Y1086 | I993-R995 HydrophobicContact CG2-CG 4.22Å; I993-N1081 HydrophobicContact CB-CB 3.75Å; I993-N1081 HydrophobicContact CG2-CB 4.29Å; I993-N1081 PolarHBondContact N-OD1 2.84Å; I993-N1081 WeakPolarHBondContact O-CB 3.29Å; I993-V1082 PolarHBondContact O-N 2.78Å; I993-V1082 VanDerWaalsContact O-N 3.1Å; I993-Y1086 HydrophobicContact CG2-CE2 4.28Å | ||
| 994 | Y | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -133 | 126.3 | 165.4 | -153.3 | -64.5 | 0 | 0 | 0 | 107.1 | G1000 V1003 R1004 L1019 L1021 S1026 V1029 F1033 V1082 | Y994-G1000 WeakPolarHBondContact CE1-O 3.47Å; Y994-G1000 PolarHBondContact OH-O 3.41Å; Y994-V1003 HydrophobicContact CE2-CG1 4.22Å; Y994-V1003 WeakPolarHBondContact OH-CG1 3.42Å; Y994-R1004 PolarHBondContact OH-N 2.64Å; Y994-L1019 HydrophobicContact CE2-CD1 4.32Å; Y994-L1019 HydrophobicContact CE2-CD2 4.44Å; Y994-L1021 HydrophobicContact CD2-CD1 4.42Å; Y994-L1021 HydrophobicContact CD2-CD2 3.56Å; Y994-L1021 HydrophobicContact CE2-CD2 4.44Å; Y994-L1021 HydrophobicContact CG-CD1 4.26Å; Y994-L1021 HydrophobicContact CG-CD2 4Å; Y994-S1026 WeakPolarHBondContact CB-OG 3.37Å; Y994-S1026 PolarHBondContact N-OG 3.37Å; Y994-S1026 WeakPolarHBondContact O-CA 3.29Å; Y994-V1029 HydrophobicContact CD1-CG2 3.73Å; Y994-V1029 HydrophobicContact CG-CG2 4.35Å; Y994-V1029 VanDerWaalsContact O-CG2 3.26Å; Y994-V1029 WeakPolarHBondContact O-CG2 3.46Å; Y994-F1033 HydrophobicContact CE1-CE1 4.05Å; Y994-V1082 WeakPolarHBondContact CA-O 3.48Å; Y994-V1082 HydrophobicContact CD1-CB 4.27Å; Y994-V1082 HydrophobicContact CD1-CG1 4.07Å; Y994-V1082 HydrophobicContact CD2-CB 3.81Å; Y994-V1082 HydrophobicContact CD2-CG1 4.15Å; Y994-V1082 HydrophobicContact CD2-CG2 3.71Å; Y994-V1082 HydrophobicContact CE1-CG1 3.98Å; Y994-V1082 HydrophobicContact CE2-CB 4.16Å; Y994-V1082 HydrophobicContact CE2-CG1 4.08Å; Y994-V1082 HydrophobicContact CE2-CG2 3.89Å; Y994-V1082 HydrophobicContact CG-CB 3.91Å; Y994-V1082 HydrophobicContact CG-CG1 4.19Å; Y994-V1082 HydrophobicContact CG-CG2 4.32Å |
| 995 | R | 93.2 | Very high | 95.6 | Very high | 39 Ų | 39 | 32.9 Ų | 32.9 | 15% | 0.147 | 16% | 0.159 | C | C | . | . | trans | -97.8 | 161.1 | 179.2 | -65.1 | -70.6 | -178.5 | -120.9 | -6.2 | 111.1 | I993 D997 G1025 Q1028 V1082 E1085 | I993-R995 HydrophobicContact CG2-CG 4.22Å; R995-D997 VanDerWaalsContact C-N 3.33Å; R995-D997 HydrophobicContact CB-CB 4.2Å; R995-D997 WeakPolarHBondContact CB-OD1 3.35Å; R995-D997 WeakPolarHBondContact CB-OD2 3.49Å; R995-G1025 PolarHBondContact NH1-O 3.03Å; R995-Q1028 VanDerWaalsContact CD-OE1 3.23Å; R995-V1082 PolarHBondContact N-O 3.01Å; R995-E1085 IonicContact CZ-OE1 3.33Å; R995-E1085 VanDerWaalsContact CZ-OE1 3.3Å; R995-E1085 IonicContact CZ-OE2 2.72Å; R995-E1085 IonicContact NE-OE1 2.72Å; R995-E1085 PolarHBondContact NE-OE1 2.89Å; R995-E1085 VanDerWaalsContact NE-OE1 3.09Å; R995-E1085 IonicContact NE-OE2 3.72Å; R995-E1085 PolarHBondContact NE-OE2 2.92Å; R995-E1085 IonicContact NH2-OE1 2.82Å; R995-E1085 PolarHBondContact NH2-OE1 3.28Å; R995-E1085 IonicContact NH2-OE2 3.98Å | ||
| 996 | A | 91.9 | Very high | 95.8 | Very high | 45 Ų | 45 | 26.5 Ų | 26.5 | 37% | 0.372 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -103.2 | 47.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q1028 V1029 F1033 | A996-Q1028 HydrophobicContact CB-CB 4.34Å; A996-V1029 HydrophobicContact CB-CG2 4.37Å; A996-F1033 HydrophobicContact CB-CD2 3.79Å; A996-F1033 HydrophobicContact CB-CE2 3.91Å; A996-F1033 HydrophobicContact CB-CG 4.27Å; A996-F1033 HydrophobicContact CB-CZ 4.49Å |
| 997 | D | 93.3 | Very high | 95.8 | Very high | 32 Ų | 32 | 26.4 Ų | 26.4 | 17% | 0.171 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -115.8 | -166.1 | -172.5 | 61.5 | 3.6 | 0 | 0 | 0 | 111.4 | R995 G1000 L1001 G1083 D1084 | R995-D997 VanDerWaalsContact C-N 3.33Å; R995-D997 HydrophobicContact CB-CB 4.2Å; R995-D997 WeakPolarHBondContact CB-OD1 3.35Å; R995-D997 WeakPolarHBondContact CB-OD2 3.49Å; D997-G1000 PolarHBondContact O-N 2.95Å; D997-G1000 PolarHBondContact OD1-N 3.16Å; D997-L1001 WeakPolarHBondContact O-CB 3.48Å; D997-L1001 PolarHBondContact O-N 2.72Å; D997-G1083 WeakPolarHBondContact OD2-CA 3.45Å; D997-D1084 WeakPolarHBondContact CB-OD2 3.31Å; D997-D1084 PolarHBondContact OD2-N 2.96Å |
| 998 | D | 93.2 | Very high | 95.8 | Very high | 115 Ų | 115 | 27 Ų | 27 | 62% | 0.615 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -67.3 | -47 | -171.9 | -76.6 | -21.3 | 0 | 0 | 0 | 111.4 | G1000 L1001 E1002 D1084 | D998-G1000 PolarHBondContact O-N 3.07Å; D998-L1001 WeakPolarHBondContact O-CB 3.39Å; D998-L1001 PolarHBondContact O-N 2.98Å; D998-E1002 PolarHBondContact O-N 3.24Å; D998-D1084 PolarHBondContact N-OD2 3.49Å |
| 999 | L | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 173 | 178.3 | 60.5 | 0 | 0 | 0 | 112.4 | F973 L1001 E1002 V1003 V1082 D1084 L1087 | F973-L999 HydrophobicContact CB-CD1 3.88Å; F973-L999 HydrophobicContact CD1-CD1 3.97Å; F973-L999 HydrophobicContact CD1-CD2 4.43Å; F973-L999 HydrophobicContact CD2-CD1 4.18Å; F973-L999 HydrophobicContact CD2-CD2 3.6Å; F973-L999 HydrophobicContact CD2-CG 4.5Å; F973-L999 HydrophobicContact CE1-CD2 4.47Å; F973-L999 HydrophobicContact CE2-CD2 3.66Å; F973-L999 HydrophobicContact CG-CD1 3.75Å; F973-L999 HydrophobicContact CG-CD2 4.03Å; F973-L999 HydrophobicContact CG-CG 4.46Å; F973-L999 HydrophobicContact CZ-CD2 4.09Å; L999-L1001 PolarHBondContact O-N 3.47Å; L999-E1002 PolarHBondContact O-N 2.87Å; L999-V1003 HydrophobicContact CD1-CG2 4.05Å; L999-V1003 WeakPolarHBondContact O-CG2 3.39Å; L999-V1003 PolarHBondContact O-N 2.97Å; L999-V1082 HydrophobicContact CG-CG1 4.2Å; L999-D1084 VanDerWaalsContact CB-OD1 3.31Å; L999-D1084 WeakPolarHBondContact CB-OD1 3.31Å; L999-D1084 PolarHBondContact N-OD1 3.01Å; L999-L1087 HydrophobicContact CB-CD1 3.92Å; L999-L1087 HydrophobicContact CB-CG 4.46Å; L999-L1087 HydrophobicContact CD1-CD1 4.4Å; L999-L1087 HydrophobicContact CD2-CD1 4.14Å; L999-L1087 HydrophobicContact CD2-CD2 3.96Å; L999-L1087 HydrophobicContact CD2-CG 3.83Å; L999-L1087 HydrophobicContact CG-CD1 4.36Å |
| 1000 | G | 95.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.1 | -37.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y994 D997 D998 R1004 | Y994-G1000 WeakPolarHBondContact CE1-O 3.47Å; Y994-G1000 PolarHBondContact OH-O 3.41Å; D997-G1000 PolarHBondContact O-N 2.95Å; D997-G1000 PolarHBondContact OD1-N 3.16Å; D998-G1000 PolarHBondContact O-N 3.07Å; G1000-R1004 WeakPolarHBondContact O-CB 3.34Å; G1000-R1004 PolarHBondContact O-N 2.9Å; G1000-R1004 VanDerWaalsContact O-N 3.09Å |
| 1001 | L | 95.1 | Very high | 95.8 | Very high | 69 Ų | 69 | 29.3 Ų | 29.3 | 36% | 0.361 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -71.8 | -44.9 | 174.9 | -173.3 | 62 | 0 | 0 | 0 | 112 | D997 D998 L999 V1003 R1004 E1005 | D997-L1001 WeakPolarHBondContact O-CB 3.48Å; D997-L1001 PolarHBondContact O-N 2.72Å; D998-L1001 WeakPolarHBondContact O-CB 3.39Å; D998-L1001 PolarHBondContact O-N 2.98Å; L999-L1001 PolarHBondContact O-N 3.47Å; L1001-V1003 VanDerWaalsContact C-N 3.34Å; L1001-V1003 PolarHBondContact O-N 2.93Å; L1001-R1004 PolarHBondContact O-N 3.2Å; L1001-R1004 VanDerWaalsContact O-N 3.17Å; L1001-E1005 HydrophobicContact CD1-CG 4.28Å; L1001-E1005 HydrophobicContact CG-CG 4.43Å; L1001-E1005 WeakPolarHBondContact O-CG 3.29Å; L1001-E1005 PolarHBondContact O-N 3.41Å |
| 1002 | E | 97.3 | Very high | 95.7 | Very high | 71 Ų | 71 | 35.3 Ų | 35.3 | 33% | 0.332 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -54.3 | -48.2 | 175.9 | -75.6 | -177.1 | -131.1 | 0 | 0 | 112 | R970 I977 D998 L999 E1005 A1006 | R970-E1002 IonicContact CZ-OE1 2.69Å; R970-E1002 IonicContact CZ-OE2 3.99Å; R970-E1002 IonicContact NH1-OE1 2.77Å; R970-E1002 PolarHBondContact NH1-OE1 3.14Å; R970-E1002 IonicContact NH1-OE2 3.91Å; R970-E1002 PolarHBondContact NH1-OE2 3.24Å; R970-E1002 IonicContact NH2-OE1 3.79Å; R970-E1002 PolarHBondContact NH2-OE1 2.96Å; R970-E1002 IonicContact NH2-OE2 3.13Å; I977-E1002 HydrophobicContact CD1-CB 4.03Å; D998-E1002 PolarHBondContact O-N 3.24Å; L999-E1002 PolarHBondContact O-N 2.87Å; E1002-E1005 PolarHBondContact O-N 3.31Å; E1002-A1006 PolarHBondContact O-N 3.38Å; E1002-A1006 VanDerWaalsContact O-N 3.14Å |
| 1003 | V | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.6 | -39.7 | 178.3 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | F973 I977 M989 Y994 L999 L1001 A1006 L1007 V1082 | F973-V1003 HydrophobicContact CD1-CG2 3.79Å; F973-V1003 HydrophobicContact CE1-CG2 3.9Å; I977-V1003 HydrophobicContact CD1-CG2 4.41Å; M989-V1003 HydrophobicContact CE-CG1 4.28Å; M989-V1003 HydrophobicContact SD-CG1 4.15Å; Y994-V1003 HydrophobicContact CE2-CG1 4.22Å; Y994-V1003 WeakPolarHBondContact OH-CG1 3.42Å; L999-V1003 HydrophobicContact CD1-CG2 4.05Å; L999-V1003 WeakPolarHBondContact O-CG2 3.39Å; L999-V1003 PolarHBondContact O-N 2.97Å; L1001-V1003 VanDerWaalsContact C-N 3.34Å; L1001-V1003 PolarHBondContact O-N 2.93Å; V1003-A1006 PolarHBondContact O-N 3.31Å; V1003-L1007 HydrophobicContact CG1-CD1 4.39Å; V1003-L1007 WeakPolarHBondContact O-CG 3.31Å; V1003-L1007 PolarHBondContact O-N 2.9Å; V1003-L1007 VanDerWaalsContact O-N 3.12Å; V1003-V1082 HydrophobicContact CB-CG1 4.31Å; V1003-V1082 HydrophobicContact CG2-CG1 4.07Å |
| 1004 | R | 96.9 | Very high | 95.8 | Very high | 36 Ų | 36 | 40.8 Ų | 40.8 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60 | -48.8 | 175.6 | -168.9 | -162.4 | 76.4 | 179.5 | -1.2 | 111.5 | Y994 G1000 L1001 A1006 L1007 V1008 F1033 L1034 | Y994-R1004 PolarHBondContact OH-N 2.64Å; G1000-R1004 WeakPolarHBondContact O-CB 3.34Å; G1000-R1004 PolarHBondContact O-N 2.9Å; G1000-R1004 VanDerWaalsContact O-N 3.09Å; L1001-R1004 PolarHBondContact O-N 3.2Å; L1001-R1004 VanDerWaalsContact O-N 3.17Å; R1004-A1006 VanDerWaalsContact C-N 3.31Å; R1004-A1006 PolarHBondContact O-N 3.17Å; R1004-L1007 PolarHBondContact O-N 3.32Å; R1004-L1007 VanDerWaalsContact O-N 3.14Å; R1004-V1008 HydrophobicContact CG-CG2 4.26Å; R1004-V1008 VanDerWaalsContact O-CG2 3.29Å; R1004-V1008 WeakPolarHBondContact O-CG2 3.37Å; R1004-V1008 PolarHBondContact O-N 3.16Å; R1004-F1033 HydrophobicContact CB-CE1 4.24Å; R1004-F1033 HydrophobicContact CB-CZ 4.41Å; R1004-F1033 WeakPolarHBondContact CD-O 3.49Å; R1004-F1033 HydrophobicContact CG-CE1 4.37Å; R1004-F1033 PolarHBondContact NH1-O 3.18Å; R1004-L1034 HydrophobicContact CG-CD2 4.31Å |
| 1005 | E | 97.3 | Very high | 95.8 | Very high | 84 Ų | 84 | 41 Ų | 41 | 39% | 0.393 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.6 | -36.1 | -178.3 | -67 | -49.1 | 97.6 | 0 | 0 | 112 | L1001 E1002 L1007 V1008 A1009 | L1001-E1005 HydrophobicContact CD1-CG 4.28Å; L1001-E1005 HydrophobicContact CG-CG 4.43Å; L1001-E1005 WeakPolarHBondContact O-CG 3.29Å; L1001-E1005 PolarHBondContact O-N 3.41Å; E1002-E1005 PolarHBondContact O-N 3.31Å; E1005-L1007 VanDerWaalsContact C-N 3.34Å; E1005-L1007 PolarHBondContact O-N 2.72Å; E1005-V1008 PolarHBondContact O-N 3.25Å; E1005-A1009 VanDerWaalsContact O-CB 3.22Å; E1005-A1009 WeakPolarHBondContact O-CB 3.32Å; E1005-A1009 PolarHBondContact O-N 3.22Å |
| 1006 | A | 98 | Very high | 95.9 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -40.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | I977 I980 E1002 V1003 R1004 A1010 | I977-A1006 HydrophobicContact CG1-CB 4.31Å; I977-A1006 HydrophobicContact CG2-CB 4.08Å; I980-A1006 HydrophobicContact CB-CB 4.4Å; I980-A1006 VanDerWaalsContact CG2-C 3.47Å; I980-A1006 HydrophobicContact CG2-CB 3.64Å; I980-A1006 VanDerWaalsContact CG2-O 3.26Å; I980-A1006 WeakPolarHBondContact CG2-O 3.25Å; E1002-A1006 PolarHBondContact O-N 3.38Å; E1002-A1006 VanDerWaalsContact O-N 3.14Å; V1003-A1006 PolarHBondContact O-N 3.31Å; R1004-A1006 VanDerWaalsContact C-N 3.31Å; R1004-A1006 PolarHBondContact O-N 3.17Å; A1006-A1010 PolarHBondContact O-N 2.91Å |
| 1007 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.6 | -41.5 | 175.4 | -67 | 177.5 | 0 | 0 | 0 | 112.6 | I980 I987 M989 V1003 R1004 E1005 A1009 A1010 A1011 V1017 L1019 L1037 | I980-L1007 HydrophobicContact CD1-CD2 4.09Å; I980-L1007 HydrophobicContact CG1-CD2 4.47Å; I980-L1007 HydrophobicContact CG2-CD2 4.22Å; I987-L1007 HydrophobicContact CD1-CD2 4.16Å; I987-L1007 HydrophobicContact CG2-CD2 3.87Å; M989-L1007 HydrophobicContact CE-CD1 4.44Å; M989-L1007 HydrophobicContact CE-CD2 4.16Å; M989-L1007 HydrophobicContact SD-CD1 3.93Å; V1003-L1007 HydrophobicContact CG1-CD1 4.39Å; V1003-L1007 WeakPolarHBondContact O-CG 3.31Å; V1003-L1007 PolarHBondContact O-N 2.9Å; V1003-L1007 VanDerWaalsContact O-N 3.12Å; R1004-L1007 PolarHBondContact O-N 3.32Å; R1004-L1007 VanDerWaalsContact O-N 3.14Å; E1005-L1007 VanDerWaalsContact C-N 3.34Å; E1005-L1007 PolarHBondContact O-N 2.72Å; L1007-A1009 VanDerWaalsContact C-N 3.34Å; L1007-A1010 WeakPolarHBondContact O-CB 3.44Å; L1007-A1010 PolarHBondContact O-N 3.25Å; L1007-A1010 VanDerWaalsContact O-N 3.12Å; L1007-A1011 PolarHBondContact O-N 3.3Å; L1007-V1017 HydrophobicContact CB-CG1 4.27Å; L1007-V1017 HydrophobicContact CD1-CG1 4.5Å; L1007-V1017 HydrophobicContact CD2-CG1 3.94Å; L1007-V1017 HydrophobicContact CG-CG1 4.46Å; L1007-L1019 HydrophobicContact CD1-CD1 4.42Å; L1007-L1019 HydrophobicContact CD1-CD2 4.23Å; L1007-L1037 HydrophobicContact CB-CD1 3.96Å; L1007-L1037 HydrophobicContact CB-CD2 4.22Å; L1007-L1037 HydrophobicContact CD1-CD2 4.27Å |
| 1008 | V | 97.9 | Very high | 96.4 | Very high | 14 Ų | 14 | 40.9 Ų | 40.9 | 9% | 0.085 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -47.5 | 173.4 | 171.6 | 0 | 0 | 0 | 0 | 110 | R1004 E1005 A1010 A1011 L1012 P1036 L1037 A1040 | R1004-V1008 HydrophobicContact CG-CG2 4.26Å; R1004-V1008 VanDerWaalsContact O-CG2 3.29Å; R1004-V1008 WeakPolarHBondContact O-CG2 3.37Å; R1004-V1008 PolarHBondContact O-N 3.16Å; E1005-V1008 PolarHBondContact O-N 3.25Å; V1008-A1010 PolarHBondContact O-N 2.95Å; V1008-A1011 PolarHBondContact O-N 2.82Å; V1008-L1012 HydrophobicContact CG1-CD1 3.97Å; V1008-L1012 HydrophobicContact CG1-CG 4.4Å; V1008-L1012 WeakPolarHBondContact O-CB 3.39Å; V1008-L1012 WeakPolarHBondContact O-CG 3.42Å; V1008-L1012 PolarHBondContact O-N 3.19Å; V1008-P1036 HydrophobicContact CG2-CB 4.14Å; V1008-L1037 HydrophobicContact CG2-CB 4Å; V1008-L1037 HydrophobicContact CG2-CD1 4.42Å; V1008-A1040 HydrophobicContact CG1-CB 4.25Å |
| 1009 | A | 96.8 | Very high | 96.5 | Very high | 38 Ų | 38 | 35.4 Ų | 35.4 | 31% | 0.314 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65.2 | -22.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1005 L1007 R1013 | E1005-A1009 VanDerWaalsContact O-CB 3.22Å; E1005-A1009 WeakPolarHBondContact O-CB 3.32Å; E1005-A1009 PolarHBondContact O-N 3.22Å; L1007-A1009 VanDerWaalsContact C-N 3.34Å; A1009-R1013 VanDerWaalsContact C-NH1 3.34Å; A1009-R1013 VanDerWaalsContact O-CG 3.29Å; A1009-R1013 WeakPolarHBondContact O-CG 3.21Å; A1009-R1013 PolarHBondContact O-NH1 2.98Å |
| 1010 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -78.9 | -47.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I980 I987 A1006 L1007 V1008 L1012 R1013 G1014 V1015 V1017 | I980-A1010 HydrophobicContact CG2-CB 4.34Å; I987-A1010 HydrophobicContact CD1-CB 3.58Å; A1006-A1010 PolarHBondContact O-N 2.91Å; L1007-A1010 WeakPolarHBondContact O-CB 3.44Å; L1007-A1010 PolarHBondContact O-N 3.25Å; L1007-A1010 VanDerWaalsContact O-N 3.12Å; V1008-A1010 PolarHBondContact O-N 2.95Å; A1010-L1012 VanDerWaalsContact C-N 3.32Å; A1010-L1012 PolarHBondContact O-N 3.5Å; A1010-R1013 WeakPolarHBondContact O-CA 3.39Å; A1010-R1013 WeakPolarHBondContact O-CB 3.46Å; A1010-R1013 PolarHBondContact O-N 2.94Å; A1010-G1014 PolarHBondContact O-N 3.08Å; A1010-V1015 HydrophobicContact CB-CB 4.08Å; A1010-V1015 HydrophobicContact CB-CG1 4.44Å; A1010-V1015 HydrophobicContact CB-CG2 4.24Å; A1010-V1015 VanDerWaalsContact O-CB 3.28Å; A1010-V1015 WeakPolarHBondContact O-CB 3.34Å; A1010-V1015 WeakPolarHBondContact O-CG2 3.2Å; A1010-V1015 PolarHBondContact O-N 3.21Å; A1010-V1015 VanDerWaalsContact O-N 3.13Å; A1010-V1017 HydrophobicContact CB-CG2 4.09Å |
| 1011 | A | 96.8 | Very high | 96.4 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.3 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1007 V1008 R1013 G1014 V1017 L1037 A1040 | L1007-A1011 PolarHBondContact O-N 3.3Å; V1008-A1011 PolarHBondContact O-N 2.82Å; A1011-R1013 PolarHBondContact O-N 2.76Å; A1011-G1014 WeakPolarHBondContact O-CA 3.48Å; A1011-G1014 PolarHBondContact O-N 2.75Å; A1011-V1017 HydrophobicContact CB-CG2 4.1Å; A1011-L1037 HydrophobicContact CB-CD1 4.11Å; A1011-A1040 HydrophobicContact CB-CB 3.8Å; A1011-A1040 WeakPolarHBondContact CB-O 3.19Å |
| 1012 | L | 95.4 | Very high | 96.1 | Very high | 127 Ų | 127 | 32.2 Ų | 32.2 | 67% | 0.665 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.8 | 174.1 | -68.6 | 176.3 | 0 | 0 | 0 | 114.5 | V1008 A1010 G1014 A1040 | V1008-L1012 HydrophobicContact CG1-CD1 3.97Å; V1008-L1012 HydrophobicContact CG1-CG 4.4Å; V1008-L1012 WeakPolarHBondContact O-CB 3.39Å; V1008-L1012 WeakPolarHBondContact O-CG 3.42Å; V1008-L1012 PolarHBondContact O-N 3.19Å; A1010-L1012 VanDerWaalsContact C-N 3.32Å; A1010-L1012 PolarHBondContact O-N 3.5Å; L1012-G1014 VanDerWaalsContact C-N 3.33Å; L1012-A1040 HydrophobicContact CD2-CB 3.79Å; L1012-A1040 HydrophobicContact CG-CB 3.85Å |
| 1013 | R | 95.5 | Very high | 95.4 | Very high | 113 Ų | 113 | 29.2 Ų | 29.2 | 43% | 0.426 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -2.6 | 169.7 | -68.6 | -177.4 | -34.3 | -102.9 | 11.1 | 113.1 | I980 A983 A1009 A1010 A1011 V1015 | I980-R1013 PolarHBondContact O-NH2 3.05Å; A983-R1013 PolarHBondContact O-NH2 3.26Å; A1009-R1013 VanDerWaalsContact C-NH1 3.34Å; A1009-R1013 VanDerWaalsContact O-CG 3.29Å; A1009-R1013 WeakPolarHBondContact O-CG 3.21Å; A1009-R1013 PolarHBondContact O-NH1 2.98Å; A1010-R1013 WeakPolarHBondContact O-CA 3.39Å; A1010-R1013 WeakPolarHBondContact O-CB 3.46Å; A1010-R1013 PolarHBondContact O-N 2.94Å; A1011-R1013 PolarHBondContact O-N 2.76Å; R1013-V1015 HydrophobicContact CB-CG2 4.32Å |
| 1014 | G | 91.2 | Very high | 94.5 | Very high | 59 Ų | 59 | 33.6 Ų | 33.6 | 61% | 0.608 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | 8.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1010 A1011 L1012 | A1010-G1014 PolarHBondContact O-N 3.08Å; A1011-G1014 WeakPolarHBondContact O-CA 3.48Å; A1011-G1014 PolarHBondContact O-N 2.75Å; L1012-G1014 VanDerWaalsContact C-N 3.33Å |
| 1015 | V | 97 | Very high | 93.7 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.03 | 17% | 0.172 | C | C | . | . | trans | -72.2 | 127.9 | 175.3 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | A983 I987 A1010 R1013 V1017 | A983-V1015 HydrophobicContact CB-CG1 4.05Å; A983-V1015 HydrophobicContact CB-CG2 4.47Å; A983-V1015 VanDerWaalsContact O-CG2 3.29Å; A983-V1015 WeakPolarHBondContact O-CG2 2.76Å; I987-V1015 HydrophobicContact CD1-CG1 4.12Å; I987-V1015 HydrophobicContact CG1-CG1 3.95Å; A1010-V1015 HydrophobicContact CB-CB 4.08Å; A1010-V1015 HydrophobicContact CB-CG1 4.44Å; A1010-V1015 HydrophobicContact CB-CG2 4.24Å; A1010-V1015 VanDerWaalsContact O-CB 3.28Å; A1010-V1015 WeakPolarHBondContact O-CB 3.34Å; A1010-V1015 WeakPolarHBondContact O-CG2 3.2Å; A1010-V1015 PolarHBondContact O-N 3.21Å; A1010-V1015 VanDerWaalsContact O-N 3.13Å; R1013-V1015 HydrophobicContact CB-CG2 4.32Å; V1015-V1017 PolarHBondContact O-N 3.25Å | ||
| 1016 | K | 95.2 | Very high | 93.3 | Very high | 98 Ų | 98 | 28.1 Ų | 28.1 | 43% | 0.426 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 97.6 | 177.1 | -67.1 | 174.1 | -177.3 | 166.1 | 0 | 110.3 | Y985 H986 I987 | Y985-K1016 PolarHBondContact O-N 3.03Å; H986-K1016 CarbonylContact C-O 3.56Å; H986-K1016 VanDerWaalsContact CA-O 3.22Å; H986-K1016 WeakPolarHBondContact CA-O 3.32Å; H986-K1016 HydrophobicContact CB-CB 4.02Å; H986-K1016 WeakPolarHBondContact CB-O 3.46Å; I987-K1016 PolarHBondContact N-O 2.98Å |
| 1017 | V | 98.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 133.1 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | I987 L1007 A1010 A1011 V1015 L1037 E1043 | I987-V1017 HydrophobicContact CB-CG2 4.41Å; I987-V1017 HydrophobicContact CD1-CG2 4.33Å; I987-V1017 CarbonylContact O-C 3.51Å; I987-V1017 WeakPolarHBondContact O-CA 3.34Å; L1007-V1017 HydrophobicContact CB-CG1 4.27Å; L1007-V1017 HydrophobicContact CD1-CG1 4.5Å; L1007-V1017 HydrophobicContact CD2-CG1 3.94Å; L1007-V1017 HydrophobicContact CG-CG1 4.46Å; A1010-V1017 HydrophobicContact CB-CG2 4.09Å; A1011-V1017 HydrophobicContact CB-CG2 4.1Å; V1015-V1017 PolarHBondContact O-N 3.25Å; V1017-L1037 HydrophobicContact CB-CD1 4.3Å; V1017-L1037 HydrophobicContact CG1-CD1 4.08Å; V1017-L1037 HydrophobicContact CG1-CD2 4.31Å; V1017-E1043 PolarHBondContact O-N 2.93Å |
| 1018 | R | 96.5 | Very high | 91.6 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 125.5 | 168.5 | -56.5 | -164.5 | 163.3 | 95.9 | 10.1 | 110.2 | I987 H988 M989 E1043 F1115 W1119 Y1133 | I987-R1018 PolarHBondContact O-N 3.03Å; H988-R1018 PolarHBondContact NE2-NH1 3.4Å; M989-R1018 PolarHBondContact N-O 3.02Å; R1018-E1043 CarbonylContact C-O 3.54Å; R1018-E1043 WeakPolarHBondContact CA-O 2.94Å; R1018-E1043 HydrophobicContact CG-CB 4.18Å; R1018-E1043 IonicContact CZ-OE1 2.75Å; R1018-E1043 IonicContact CZ-OE2 2.67Å; R1018-E1043 VanDerWaalsContact NE-CD 3.25Å; R1018-E1043 IonicContact NE-OE1 2.6Å; R1018-E1043 PolarHBondContact NE-OE1 2.92Å; R1018-E1043 IonicContact NE-OE2 2.6Å; R1018-E1043 PolarHBondContact NE-OE2 3.39Å; R1018-E1043 IonicContact NH2-OE1 3.37Å; R1018-E1043 PolarHBondContact NH2-OE1 3.5Å; R1018-E1043 IonicContact NH2-OE2 2.69Å; R1018-F1115 HydrophobicContact CB-CE1 4.18Å; R1018-F1115 HydrophobicContact CB-CZ 3.82Å; R1018-W1119 HydrophobicContact CB-CD2 4.45Å; R1018-W1119 HydrophobicContact CB-CE3 4.16Å; R1018-W1119 HydrophobicContact CB-CH2 3.93Å; R1018-W1119 HydrophobicContact CB-CZ2 4.2Å; R1018-W1119 HydrophobicContact CB-CZ3 3.9Å; R1018-W1119 HydrophobicContact CG-CH2 4.4Å; R1018-W1119 HydrophobicContact CG-CZ2 4.23Å; R1018-Y1133 PolarHBondContact NH1-OH 3.01Å |
| 1019 | L | 96.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 118.4 | -178.6 | -179.3 | 63.2 | 0 | 0 | 0 | 111.1 | M989 Y994 L1007 L1021 L1034 L1037 E1043 V1044 D1045 | M989-L1019 HydrophobicContact CB-CD1 3.89Å; M989-L1019 HydrophobicContact CG-CD1 3.63Å; M989-L1019 CarbonylContact O-C 3.55Å; M989-L1019 WeakPolarHBondContact O-CA 3.09Å; M989-L1019 HydrophobicContact SD-CD1 3.76Å; Y994-L1019 HydrophobicContact CE2-CD1 4.32Å; Y994-L1019 HydrophobicContact CE2-CD2 4.44Å; L1007-L1019 HydrophobicContact CD1-CD1 4.42Å; L1007-L1019 HydrophobicContact CD1-CD2 4.23Å; L1019-L1021 HydrophobicContact CD1-CD2 3.9Å; L1019-L1021 HydrophobicContact CD1-CG 4.44Å; L1019-L1021 HydrophobicContact CD2-CD1 4.45Å; L1019-L1021 HydrophobicContact CG-CD2 4.19Å; L1019-L1021 HydrophobicContact CG-CG 4.18Å; L1019-L1034 HydrophobicContact CD2-CD1 4.12Å; L1019-L1034 HydrophobicContact CD2-CD2 3.97Å; L1019-L1037 HydrophobicContact CB-CD2 4.37Å; L1019-L1037 HydrophobicContact CD2-CD2 4.01Å; L1019-E1043 PolarHBondContact N-O 2.87Å; L1019-V1044 HydrophobicContact CB-CG2 4.39Å; L1019-V1044 WeakPolarHBondContact O-CA 3.28Å; L1019-D1045 PolarHBondContact O-N 2.98Å |
| 1020 | L | 94.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126 | 179.1 | -177.3 | 49.5 | 0 | 0 | 0 | 110.6 | M989 E990 Y991 D1045 F1047 F1115 D1118 W1119 Q1122 | M989-L1020 PolarHBondContact O-N 3.07Å; E990-L1020 VanDerWaalsContact CA-O 3.23Å; E990-L1020 WeakPolarHBondContact CA-O 2.99Å; E990-L1020 HydrophobicContact CB-CB 4.4Å; E990-L1020 HydrophobicContact CG-CB 4.37Å; E990-L1020 HydrophobicContact CG-CG 4.41Å; E990-L1020 WeakPolarHBondContact OE2-CD2 3.25Å; Y991-L1020 PolarHBondContact N-O 2.64Å; Y991-L1020 VanDerWaalsContact N-O 3.13Å; L1020-D1045 WeakPolarHBondContact CA-O 3.42Å; L1020-D1045 HydrophobicContact CD1-CB 4.43Å; L1020-F1047 HydrophobicContact CD1-CB 4Å; L1020-F1047 HydrophobicContact CD2-CD2 4.32Å; L1020-F1047 HydrophobicContact CG-CB 4.44Å; L1020-F1115 HydrophobicContact CB-CE2 4.27Å; L1020-D1118 HydrophobicContact CD2-CB 4.28Å; L1020-D1118 WeakPolarHBondContact CD2-O 3.31Å; L1020-W1119 HydrophobicContact CB-CE3 3.98Å; L1020-W1119 HydrophobicContact CB-CZ3 4.14Å; L1020-W1119 HydrophobicContact CD2-CE3 4.3Å; L1020-Q1122 HydrophobicContact CD1-CG 4.03Å |
| 1021 | L | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.2 | -175.2 | -60.3 | -178.9 | 0 | 0 | 0 | 111.5 | Y991 Y994 L1019 A1023 V1029 L1034 D1045 F1046 F1047 | Y991-L1021 WeakPolarHBondContact O-CA 3.4Å; Y994-L1021 HydrophobicContact CD2-CD1 4.42Å; Y994-L1021 HydrophobicContact CD2-CD2 3.56Å; Y994-L1021 HydrophobicContact CE2-CD2 4.44Å; Y994-L1021 HydrophobicContact CG-CD1 4.26Å; Y994-L1021 HydrophobicContact CG-CD2 4Å; L1019-L1021 HydrophobicContact CD1-CD2 3.9Å; L1019-L1021 HydrophobicContact CD1-CG 4.44Å; L1019-L1021 HydrophobicContact CD2-CD1 4.45Å; L1019-L1021 HydrophobicContact CG-CD2 4.19Å; L1019-L1021 HydrophobicContact CG-CG 4.18Å; L1021-A1023 PolarHBondContact O-N 2.81Å; L1021-V1029 HydrophobicContact CD1-CB 4.44Å; L1021-V1029 HydrophobicContact CD1-CG1 3.85Å; L1021-L1034 HydrophobicContact CD1-CD1 3.93Å; L1021-D1045 PolarHBondContact N-O 3Å; L1021-D1045 VanDerWaalsContact N-O 3.15Å; L1021-F1046 HydrophobicContact CB-CD1 3.8Å; L1021-F1046 HydrophobicContact CB-CE1 3.88Å; L1021-F1046 HydrophobicContact CD1-CE1 3.93Å; L1021-F1046 HydrophobicContact CD1-CZ 4.2Å; L1021-F1046 HydrophobicContact CG-CE1 4.5Å; L1021-F1046 CarbonylContact O-C 3.57Å; L1021-F1046 WeakPolarHBondContact O-CA 3.3Å; L1021-F1047 PolarHBondContact O-N 2.94Å |
| 1022 | D | 89.6 | Confident | 88.8 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 124 | 168.3 | -179 | -79.6 | 0 | 0 | 0 | 109.8 | Y991 Y992 W1024 G1025 S1026 R1062 N1063 | Y991-D1022 PolarHBondContact O-N 2.98Å; Y991-D1022 VanDerWaalsContact O-N 3.11Å; Y992-D1022 HydrophobicContact CD2-CB 3.6Å; Y992-D1022 HydrophobicContact CE2-CB 4.19Å; D1022-W1024 PolarHBondContact O-N 3.39Å; D1022-W1024 VanDerWaalsContact O-N 3.13Å; D1022-W1024 WeakPolarHBondContact OD1-CA 3.46Å; D1022-W1024 WeakPolarHBondContact OD1-CB 3.46Å; D1022-W1024 PolarHBondContact OD1-N 3.27Å; D1022-G1025 PolarHBondContact O-N 3.1Å; D1022-G1025 PolarHBondContact OD1-N 3.23Å; D1022-S1026 VanDerWaalsContact O-CB 3.22Å; D1022-S1026 WeakPolarHBondContact O-CB 3.21Å; D1022-S1026 PolarHBondContact O-N 2.86Å; D1022-S1026 PolarHBondContact O-OG 3.3Å; D1022-R1062 WeakPolarHBondContact OD1-CD 3.33Å; D1022-R1062 IonicContact OD1-NH1 3.57Å; D1022-R1062 WeakPolarHBondContact OD2-CA 3.42Å; D1022-R1062 WeakPolarHBondContact OD2-CB 2.94Å; D1022-R1062 WeakPolarHBondContact OD2-CD 3.4Å; D1022-R1062 IonicContact OD2-NH1 3.02Å; D1022-N1063 PolarHBondContact OD2-N 2.87Å |
| 1023 | A | 81.8 | Confident | 88.7 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -18.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | L1021 F1046 F1047 F1048 L1050 | L1021-A1023 PolarHBondContact O-N 2.81Å; A1023-F1046 HydrophobicContact CB-CB 4.18Å; A1023-F1046 HydrophobicContact CB-CD1 4.35Å; A1023-F1047 PolarHBondContact N-O 3.18Å; A1023-F1047 VanDerWaalsContact N-O 3.1Å; A1023-F1048 WeakPolarHBondContact CB-O 3.47Å; A1023-L1050 HydrophobicContact CB-CD2 4.48Å; A1023-L1050 HydrophobicContact CB-CG 3.95Å; A1023-L1050 WeakPolarHBondContact O-CD1 3.31Å |
| 1024 | W | 78.5 | Confident | 88.6 | Confident | 93 Ų | 93 | 45.7 Ų | 45.7 | 35% | 0.352 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -46.3 | -179.9 | -165.4 | -80.2 | 0 | 0 | 0 | 111.8 | D1022 S1026 T1027 L1050 P1053 M1059 | D1022-W1024 PolarHBondContact O-N 3.39Å; D1022-W1024 VanDerWaalsContact O-N 3.13Å; D1022-W1024 WeakPolarHBondContact OD1-CA 3.46Å; D1022-W1024 WeakPolarHBondContact OD1-CB 3.46Å; D1022-W1024 PolarHBondContact OD1-N 3.27Å; W1024-S1026 VanDerWaalsContact C-N 3.3Å; W1024-S1026 PolarHBondContact O-N 2.98Å; W1024-T1027 VanDerWaalsContact O-CG2 3.28Å; W1024-T1027 WeakPolarHBondContact O-CG2 3.42Å; W1024-T1027 PolarHBondContact O-N 3.3Å; W1024-T1027 PolarHBondContact O-OG1 2.93Å; W1024-L1050 HydrophobicContact CD2-CD2 4.35Å; W1024-L1050 HydrophobicContact CE3-CD2 3.41Å; W1024-L1050 VanDerWaalsContact CE3-CD2 3.41Å; W1024-L1050 HydrophobicContact CZ3-CD2 3.94Å; W1024-P1053 HydrophobicContact CH2-CB 4.03Å; W1024-P1053 HydrophobicContact CZ3-CB 4.05Å; W1024-P1053 HydrophobicContact CZ3-CG 4.26Å; W1024-M1059 HydrophobicContact CE3-SD 3.97Å; W1024-M1059 HydrophobicContact CH2-CE 3.52Å; W1024-M1059 HydrophobicContact CH2-SD 3.58Å; W1024-M1059 VanDerWaalsContact CH2-SD 3.58Å; W1024-M1059 HydrophobicContact CZ2-CE 4.17Å; W1024-M1059 HydrophobicContact CZ2-SD 4.5Å; W1024-M1059 HydrophobicContact CZ3-CE 3.9Å; W1024-M1059 HydrophobicContact CZ3-SD 3.25Å; W1024-M1059 WeakPolarHBondContact CZ3-SD 3.46Å |
| 1025 | G | 80.8 | Confident | 88.6 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -39.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y992 R995 D1022 T1027 | Y992-G1025 CarbonylContact O-C 3.56Å; Y992-G1025 VanDerWaalsContact O-CA 3.31Å; Y992-G1025 WeakPolarHBondContact O-CA 3.44Å; R995-G1025 PolarHBondContact NH1-O 3.03Å; D1022-G1025 PolarHBondContact O-N 3.1Å; D1022-G1025 PolarHBondContact OD1-N 3.23Å; G1025-T1027 PolarHBondContact O-N 3.46Å |
| 1026 | S | 88 | Confident | 88.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 27 | -177.9 | -54.3 | 0 | 0 | 0 | 0 | 114.3 | Y992 Y994 D1022 W1024 Q1028 V1029 | Y992-S1026 PolarHBondContact O-N 3.28Å; Y992-S1026 PolarHBondContact O-OG 3.43Å; Y994-S1026 WeakPolarHBondContact CB-OG 3.37Å; Y994-S1026 PolarHBondContact N-OG 3.37Å; Y994-S1026 WeakPolarHBondContact O-CA 3.29Å; D1022-S1026 VanDerWaalsContact O-CB 3.22Å; D1022-S1026 WeakPolarHBondContact O-CB 3.21Å; D1022-S1026 PolarHBondContact O-N 2.86Å; D1022-S1026 PolarHBondContact O-OG 3.3Å; W1024-S1026 VanDerWaalsContact C-N 3.3Å; W1024-S1026 PolarHBondContact O-N 2.98Å; S1026-Q1028 PolarHBondContact O-N 3.02Å; S1026-V1029 PolarHBondContact O-N 3.04Å |
| 1027 | T | 80.3 | Confident | 88.7 | Confident | 82 Ų | 82 | 41.6 Ų | 41.6 | 50% | 0.503 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -20.6 | -175.6 | 25.2 | 0 | 0 | 0 | 0 | 116.4 | W1024 G1025 L1050 | W1024-T1027 VanDerWaalsContact O-CG2 3.28Å; W1024-T1027 WeakPolarHBondContact O-CG2 3.42Å; W1024-T1027 PolarHBondContact O-N 3.3Å; W1024-T1027 PolarHBondContact O-OG1 2.93Å; G1025-T1027 PolarHBondContact O-N 3.46Å; T1027-L1050 HydrophobicContact CG2-CD1 3.88Å |
| 1028 | Q | 80.2 | Confident | 88.5 | Confident | 103 Ų | 103 | 45 Ų | 45 | 48% | 0.481 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -24.6 | 175.7 | -63.8 | -179.3 | 7.4 | 0 | 0 | 112.7 | R995 A996 S1026 | R995-Q1028 VanDerWaalsContact CD-OE1 3.23Å; A996-Q1028 HydrophobicContact CB-CB 4.34Å; S1026-Q1028 PolarHBondContact O-N 3.02Å |
| 1029 | V | 85 | Confident | 88.4 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | trans | -87 | 133.5 | 179.5 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | Y994 A996 L1021 S1026 F1033 L1034 F1046 | Y994-V1029 HydrophobicContact CD1-CG2 3.73Å; Y994-V1029 HydrophobicContact CG-CG2 4.35Å; Y994-V1029 VanDerWaalsContact O-CG2 3.26Å; Y994-V1029 WeakPolarHBondContact O-CG2 3.46Å; A996-V1029 HydrophobicContact CB-CG2 4.37Å; L1021-V1029 HydrophobicContact CD1-CB 4.44Å; L1021-V1029 HydrophobicContact CD1-CG1 3.85Å; S1026-V1029 PolarHBondContact O-N 3.04Å; V1029-F1033 HydrophobicContact CG1-CD1 3.91Å; V1029-F1033 HydrophobicContact CG2-CD1 4.23Å; V1029-F1033 HydrophobicContact CG2-CE1 4.44Å; V1029-L1034 HydrophobicContact CG1-CD1 3.61Å; V1029-L1034 HydrophobicContact CG1-CD2 4.23Å; V1029-L1034 HydrophobicContact CG1-CG 3.73Å; V1029-F1046 HydrophobicContact CG1-CZ 4.23Å | ||
| 1030 | N | 81.4 | Confident | 88.3 | Confident | 85 Ų | 85 | 52.6 Ų | 52.6 | 46% | 0.455 | 25% | 0.25 | S | C | . | . | trans | -136.1 | 168.7 | 178.4 | 60.3 | 59.4 | 0 | 0 | 0 | 109.7 | R1032 F1033 L1034 | N1030-R1032 PolarHBondContact O-N 3.26Å; N1030-R1032 WeakPolarHBondContact OD1-CA 3.4Å; N1030-R1032 VanDerWaalsContact OD1-CB 3.27Å; N1030-R1032 WeakPolarHBondContact OD1-CB 3.06Å; N1030-R1032 PolarHBondContact OD1-N 2.91Å; N1030-F1033 PolarHBondContact O-N 2.67Å; N1030-F1033 PolarHBondContact OD1-N 3.29Å; N1030-L1034 PolarHBondContact O-N 3.38Å | ||
| 1031 | R | 80.9 | Confident | 88.1 | Confident | 153 Ų | 153 | 55.4 Ų | 55.4 | 58% | 0.577 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19.2 | -179.1 | -72.9 | -171.2 | 173.7 | -159 | -4.7 | 114.3 | L1034 S1035 D1045 F1046 | R1031-L1034 CarbonylContact O-C 3.56Å; R1031-S1035 WeakPolarHBondContact O-CA 3.19Å; R1031-S1035 PolarHBondContact O-N 2.82Å; R1031-S1035 PolarHBondContact O-OG 3.26Å; R1031-S1035 VanDerWaalsContact O-OG 3.13Å; R1031-D1045 IonicContact NH2-OD1 2.65Å; R1031-F1046 HydrophobicContact CG-CE2 4.38Å |
| 1032 | R | 84.8 | Confident | 88.1 | Confident | 213 Ų | 213 | 55.6 Ų | 55.6 | 80% | 0.804 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -33.6 | 174.3 | -173.5 | -177.5 | 179.1 | -176.3 | 0.4 | 112.9 | N1030 L1034 S1035 | N1030-R1032 PolarHBondContact O-N 3.26Å; N1030-R1032 WeakPolarHBondContact OD1-CA 3.4Å; N1030-R1032 VanDerWaalsContact OD1-CB 3.27Å; N1030-R1032 WeakPolarHBondContact OD1-CB 3.06Å; N1030-R1032 PolarHBondContact OD1-N 2.91Å; R1032-L1034 VanDerWaalsContact C-N 3.29Å; R1032-S1035 WeakPolarHBondContact O-CB 2.87Å; R1032-S1035 PolarHBondContact O-N 2.96Å |
| 1033 | F | 92.5 | Very high | 88.3 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -39.7 | 169.6 | 177.7 | -93.6 | 0 | 0 | 0 | 110.7 | Y994 A996 R1004 V1029 N1030 | Y994-F1033 HydrophobicContact CE1-CE1 4.05Å; A996-F1033 HydrophobicContact CB-CD2 3.79Å; A996-F1033 HydrophobicContact CB-CE2 3.91Å; A996-F1033 HydrophobicContact CB-CG 4.27Å; A996-F1033 HydrophobicContact CB-CZ 4.49Å; R1004-F1033 HydrophobicContact CB-CE1 4.24Å; R1004-F1033 HydrophobicContact CB-CZ 4.41Å; R1004-F1033 WeakPolarHBondContact CD-O 3.49Å; R1004-F1033 HydrophobicContact CG-CE1 4.37Å; R1004-F1033 PolarHBondContact NH1-O 3.18Å; V1029-F1033 HydrophobicContact CG1-CD1 3.91Å; V1029-F1033 HydrophobicContact CG2-CD1 4.23Å; V1029-F1033 HydrophobicContact CG2-CE1 4.44Å; N1030-F1033 PolarHBondContact O-N 2.67Å; N1030-F1033 PolarHBondContact OD1-N 3.29Å |
| 1034 | L | 94.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -88.2 | 0.7 | 178.6 | -60.3 | 176.7 | 0 | 0 | 0 | 114.3 | R1004 L1019 L1021 V1029 N1030 R1031 R1032 L1037 I1038 V1044 F1046 | R1004-L1034 HydrophobicContact CG-CD2 4.31Å; L1019-L1034 HydrophobicContact CD2-CD1 4.12Å; L1019-L1034 HydrophobicContact CD2-CD2 3.97Å; L1021-L1034 HydrophobicContact CD1-CD1 3.93Å; V1029-L1034 HydrophobicContact CG1-CD1 3.61Å; V1029-L1034 HydrophobicContact CG1-CD2 4.23Å; V1029-L1034 HydrophobicContact CG1-CG 3.73Å; N1030-L1034 PolarHBondContact O-N 3.38Å; R1031-L1034 CarbonylContact O-C 3.56Å; R1032-L1034 VanDerWaalsContact C-N 3.29Å; L1034-L1037 WeakPolarHBondContact O-CB 3.3Å; L1034-L1037 PolarHBondContact O-N 2.91Å; L1034-I1038 PolarHBondContact O-N 3.01Å; L1034-I1038 VanDerWaalsContact O-N 3.17Å; L1034-V1044 HydrophobicContact CB-CG1 4.39Å; L1034-V1044 HydrophobicContact CB-CG2 4.49Å; L1034-V1044 HydrophobicContact CD1-CG1 3.47Å; L1034-V1044 VanDerWaalsContact CD1-CG1 3.47Å; L1034-F1046 HydrophobicContact CD1-CZ 4.19Å |
| 1035 | S | 91.7 | Very high | 89.3 | Confident | 35 Ų | 35 | 56.9 Ų | 56.9 | 25% | 0.245 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -50 | -47.2 | 178.6 | -89.5 | 0 | 0 | 0 | 0 | 113.2 | R1031 R1032 L1037 I1038 E1039 | R1031-S1035 WeakPolarHBondContact O-CA 3.19Å; R1031-S1035 PolarHBondContact O-N 2.82Å; R1031-S1035 PolarHBondContact O-OG 3.26Å; R1031-S1035 VanDerWaalsContact O-OG 3.13Å; R1032-S1035 WeakPolarHBondContact O-CB 2.87Å; R1032-S1035 PolarHBondContact O-N 2.96Å; S1035-L1037 VanDerWaalsContact C-N 3.25Å; S1035-L1037 PolarHBondContact O-N 3.28Å; S1035-I1038 PolarHBondContact O-N 3.02Å; S1035-I1038 VanDerWaalsContact O-N 3.12Å; S1035-E1039 WeakPolarHBondContact CB-OE1 2.99Å; S1035-E1039 WeakPolarHBondContact O-CB 3.04Å; S1035-E1039 VanDerWaalsContact O-CG 3.28Å; S1035-E1039 WeakPolarHBondContact O-CG 3.03Å; S1035-E1039 PolarHBondContact O-N 2.79Å |
| 1036 | P | 95.4 | Very high | 89.5 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 26% | 0.26 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.4 | -27.9 | 179.4 | -26.5 | 38.2 | 0 | 0 | 0 | 114.4 | V1008 A1040 | V1008-P1036 HydrophobicContact CG2-CB 4.14Å; P1036-A1040 VanDerWaalsContact O-CB 3.24Å; P1036-A1040 WeakPolarHBondContact O-CB 2.97Å; P1036-A1040 PolarHBondContact O-N 2.89Å |
| 1037 | L | 97.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73.8 | -42.5 | 174.9 | 178.8 | 58.1 | 0 | 0 | 0 | 110.8 | L1007 V1008 A1011 V1017 L1019 L1034 S1035 A1040 G1041 G1042 V1044 | L1007-L1037 HydrophobicContact CB-CD1 3.96Å; L1007-L1037 HydrophobicContact CB-CD2 4.22Å; L1007-L1037 HydrophobicContact CD1-CD2 4.27Å; V1008-L1037 HydrophobicContact CG2-CB 4Å; V1008-L1037 HydrophobicContact CG2-CD1 4.42Å; A1011-L1037 HydrophobicContact CB-CD1 4.11Å; V1017-L1037 HydrophobicContact CB-CD1 4.3Å; V1017-L1037 HydrophobicContact CG1-CD1 4.08Å; V1017-L1037 HydrophobicContact CG1-CD2 4.31Å; L1019-L1037 HydrophobicContact CB-CD2 4.37Å; L1019-L1037 HydrophobicContact CD2-CD2 4.01Å; L1034-L1037 WeakPolarHBondContact O-CB 3.3Å; L1034-L1037 PolarHBondContact O-N 2.91Å; S1035-L1037 VanDerWaalsContact C-N 3.25Å; S1035-L1037 PolarHBondContact O-N 3.28Å; L1037-A1040 CarbonylContact O-C 3.12Å; L1037-A1040 PolarHBondContact O-N 3.46Å; L1037-G1041 PolarHBondContact O-N 3.22Å; L1037-G1042 WeakPolarHBondContact O-CA 3.44Å; L1037-G1042 PolarHBondContact O-N 3.36Å; L1037-V1044 HydrophobicContact CD2-CG2 3.92Å; L1037-V1044 HydrophobicContact CG-CG2 4.26Å |
| 1038 | I | 94.1 | Very high | 88.3 | Confident | 73 Ų | 73 | 55.7 Ų | 55.7 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 177.3 | -60.2 | 166.9 | 0 | 0 | 0 | 110.6 | L1034 S1035 A1040 G1041 G1042 V1044 | L1034-I1038 PolarHBondContact O-N 3.01Å; L1034-I1038 VanDerWaalsContact O-N 3.17Å; S1035-I1038 PolarHBondContact O-N 3.02Å; S1035-I1038 VanDerWaalsContact O-N 3.12Å; I1038-A1040 VanDerWaalsContact C-N 3.32Å; I1038-A1040 PolarHBondContact O-N 3.12Å; I1038-G1041 PolarHBondContact O-N 3.41Å; I1038-G1042 WeakPolarHBondContact CA-O 3.43Å; I1038-V1044 HydrophobicContact CD1-CB 4.17Å; I1038-V1044 HydrophobicContact CD1-CG2 4.27Å; I1038-V1044 HydrophobicContact CG1-CB 4.05Å; I1038-V1044 HydrophobicContact CG1-CG2 3.72Å |
| 1039 | E | 94.5 | Very high | 87 | Confident | 155 Ų | 155 | 54.4 Ų | 54.4 | 72% | 0.724 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -67.6 | -30.2 | 175.5 | -72 | 163.1 | -156 | 0 | 0 | 112.4 | S1035 G1041 | S1035-E1039 WeakPolarHBondContact CB-OE1 2.99Å; S1035-E1039 WeakPolarHBondContact O-CB 3.04Å; S1035-E1039 VanDerWaalsContact O-CG 3.28Å; S1035-E1039 WeakPolarHBondContact O-CG 3.03Å; S1035-E1039 PolarHBondContact O-N 2.79Å; E1039-G1041 PolarHBondContact O-N 3.35Å |
| 1040 | A | 95.2 | Very high | 85.1 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 16% | 0.157 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -2.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1008 A1011 L1012 P1036 L1037 I1038 | V1008-A1040 HydrophobicContact CG1-CB 4.25Å; A1011-A1040 HydrophobicContact CB-CB 3.8Å; A1011-A1040 WeakPolarHBondContact CB-O 3.19Å; L1012-A1040 HydrophobicContact CD2-CB 3.79Å; L1012-A1040 HydrophobicContact CG-CB 3.85Å; P1036-A1040 VanDerWaalsContact O-CB 3.24Å; P1036-A1040 WeakPolarHBondContact O-CB 2.97Å; P1036-A1040 PolarHBondContact O-N 2.89Å; L1037-A1040 CarbonylContact O-C 3.12Å; L1037-A1040 PolarHBondContact O-N 3.46Å; I1038-A1040 VanDerWaalsContact C-N 3.32Å; I1038-A1040 PolarHBondContact O-N 3.12Å |
| 1041 | G | 89.9 | Confident | 83.4 | Confident | 60 Ų | 60 | 61.1 Ų | 61.1 | 62% | 0.619 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.3 | 9.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L1037 I1038 E1039 | L1037-G1041 PolarHBondContact O-N 3.22Å; I1038-G1041 PolarHBondContact O-N 3.41Å; E1039-G1041 PolarHBondContact O-N 3.35Å |
| 1042 | G | 94.2 | Very high | 81.6 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | trans | -75.8 | 134.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1037 I1038 | L1037-G1042 WeakPolarHBondContact O-CA 3.44Å; L1037-G1042 PolarHBondContact O-N 3.36Å; I1038-G1042 WeakPolarHBondContact CA-O 3.43Å | ||
| 1043 | E | 93.4 | Very high | 79.5 | Confident | 76 Ų | 76 | 48.3 Ų | 48.3 | 36% | 0.355 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 135.2 | 175.7 | -56.6 | 172.1 | -147.5 | 0 | 0 | 109.8 | V1017 R1018 L1019 W1119 | V1017-E1043 PolarHBondContact O-N 2.93Å; R1018-E1043 CarbonylContact C-O 3.54Å; R1018-E1043 WeakPolarHBondContact CA-O 2.94Å; R1018-E1043 HydrophobicContact CG-CB 4.18Å; R1018-E1043 IonicContact CZ-OE1 2.75Å; R1018-E1043 IonicContact CZ-OE2 2.67Å; R1018-E1043 VanDerWaalsContact NE-CD 3.25Å; R1018-E1043 IonicContact NE-OE1 2.6Å; R1018-E1043 PolarHBondContact NE-OE1 2.92Å; R1018-E1043 IonicContact NE-OE2 2.6Å; R1018-E1043 PolarHBondContact NE-OE2 3.39Å; R1018-E1043 IonicContact NH2-OE1 3.37Å; R1018-E1043 PolarHBondContact NH2-OE1 3.5Å; R1018-E1043 IonicContact NH2-OE2 2.69Å; L1019-E1043 PolarHBondContact N-O 2.87Å; E1043-W1119 HydrophobicContact CB-CH2 3.77Å; E1043-W1119 HydrophobicContact CB-CZ2 3.73Å; E1043-W1119 WeakPolarHBondContact OE2-CZ2 3.34Å |
| 1044 | V | 92 | Very high | 77.3 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 11% | 0.109 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 128 | -176.5 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | L1019 L1034 L1037 I1038 F1046 | L1019-V1044 HydrophobicContact CB-CG2 4.39Å; L1019-V1044 WeakPolarHBondContact O-CA 3.28Å; L1034-V1044 HydrophobicContact CB-CG1 4.39Å; L1034-V1044 HydrophobicContact CB-CG2 4.49Å; L1034-V1044 HydrophobicContact CD1-CG1 3.47Å; L1034-V1044 VanDerWaalsContact CD1-CG1 3.47Å; L1037-V1044 HydrophobicContact CD2-CG2 3.92Å; L1037-V1044 HydrophobicContact CG-CG2 4.26Å; I1038-V1044 HydrophobicContact CD1-CB 4.17Å; I1038-V1044 HydrophobicContact CD1-CG2 4.27Å; I1038-V1044 HydrophobicContact CG1-CB 4.05Å; I1038-V1044 HydrophobicContact CG1-CG2 3.72Å; V1044-F1046 HydrophobicContact CG1-CE2 4.3Å |
| 1045 | D | 89.2 | Confident | 74.8 | Confident | 33 Ų | 33 | 60 Ų | 60 | 18% | 0.176 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 171.4 | 169.8 | -129.9 | -31.9 | 0 | 0 | 0 | 113.9 | L1019 L1020 L1021 R1031 W1119 Q1123 | L1019-D1045 PolarHBondContact O-N 2.98Å; L1020-D1045 WeakPolarHBondContact CA-O 3.42Å; L1020-D1045 HydrophobicContact CD1-CB 4.43Å; L1021-D1045 PolarHBondContact N-O 3Å; L1021-D1045 VanDerWaalsContact N-O 3.15Å; R1031-D1045 IonicContact NH2-OD1 2.65Å; D1045-W1119 HydrophobicContact CB-CH2 4.43Å; D1045-W1119 HydrophobicContact CB-CZ3 4.45Å; D1045-Q1123 PolarHBondContact OD2-NE2 3.38Å |
| 1046 | F | 84.9 | Confident | 72.1 | Confident | 22 Ų | 22 | 61.4 Ų | 61.4 | 10% | 0.096 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 125.1 | -177.4 | -72.1 | -96.9 | 0 | 0 | 0 | 111.9 | L1021 A1023 V1029 R1031 L1034 V1044 P1049 Q1122 | L1021-F1046 HydrophobicContact CB-CD1 3.8Å; L1021-F1046 HydrophobicContact CB-CE1 3.88Å; L1021-F1046 HydrophobicContact CD1-CE1 3.93Å; L1021-F1046 HydrophobicContact CD1-CZ 4.2Å; L1021-F1046 HydrophobicContact CG-CE1 4.5Å; L1021-F1046 CarbonylContact O-C 3.57Å; L1021-F1046 WeakPolarHBondContact O-CA 3.3Å; A1023-F1046 HydrophobicContact CB-CB 4.18Å; A1023-F1046 HydrophobicContact CB-CD1 4.35Å; V1029-F1046 HydrophobicContact CG1-CZ 4.23Å; R1031-F1046 HydrophobicContact CG-CE2 4.38Å; L1034-F1046 HydrophobicContact CD1-CZ 4.19Å; V1044-F1046 HydrophobicContact CG1-CE2 4.3Å; F1046-P1049 WeakPolarHBondContact O-CD 3.2Å; F1046-Q1122 PolarHBondContact O-OE1 3.37Å |
| 1047 | F | 76.1 | Confident | 69.5 | Low | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.009 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 126.8 | 176.8 | -160.2 | -90.1 | 0 | 0 | 0 | 110.1 | L1020 L1021 A1023 N1063 D1118 Q1122 F1268 | L1020-F1047 HydrophobicContact CD1-CB 4Å; L1020-F1047 HydrophobicContact CD2-CD2 4.32Å; L1020-F1047 HydrophobicContact CG-CB 4.44Å; L1021-F1047 PolarHBondContact O-N 2.94Å; A1023-F1047 PolarHBondContact N-O 3.18Å; A1023-F1047 VanDerWaalsContact N-O 3.1Å; F1047-N1063 HydrophobicContact CB-CB 4.32Å; F1047-N1063 HydrophobicContact CD1-CB 3.55Å; F1047-N1063 HydrophobicContact CD2-CB 4.33Å; F1047-N1063 HydrophobicContact CE1-CB 3.77Å; F1047-N1063 HydrophobicContact CG-CB 3.84Å; F1047-N1063 HydrophobicContact CZ-CB 4.27Å; F1047-D1118 HydrophobicContact CE2-CB 4.29Å; F1047-Q1122 HydrophobicContact CD2-CG 4.28Å; F1047-F1268 HydrophobicContact CE1-CD2 4.01Å; F1047-F1268 HydrophobicContact CE1-CE2 4.05Å; F1047-F1268 HydrophobicContact CE1-CG 4.44Å; F1047-F1268 HydrophobicContact CZ-CD1 4.3Å; F1047-F1268 HydrophobicContact CZ-CD2 4.2Å; F1047-F1268 HydrophobicContact CZ-CE1 4.24Å; F1047-F1268 HydrophobicContact CZ-CE2 4.16Å; F1047-F1268 HydrophobicContact CZ-CG 4.28Å; F1047-F1268 HydrophobicContact CZ-CZ 4.18Å |
| 1048 | F | 66.6 | Low | 67 | Low | 38 Ų | 38 | 70.6 Ų | 70.6 | 17% | 0.167 | 37% | 0.37 | C | S | . | . | S | Bend | trans | 47.7 | 70.9 | -172.1 | -65.3 | -47.2 | 0 | 0 | 0 | 113.9 | I900 A1023 Y1061 F1268 | I900-F1048 HydrophobicContact CB-CE1 4.41Å; I900-F1048 HydrophobicContact CD1-CD1 4.47Å; I900-F1048 HydrophobicContact CD1-CE1 4.08Å; A1023-F1048 WeakPolarHBondContact CB-O 3.47Å; F1048-Y1061 WeakPolarHBondContact CD2-O 3.45Å; F1048-Y1061 VanDerWaalsContact CE2-CB 3.48Å; F1048-F1268 HydrophobicContact CE2-CD2 4.42Å; F1048-F1268 AromaticContact CE2-CE2 3.75Å; F1048-F1268 HydrophobicContact CE2-CE2 3.75Å; F1048-F1268 HydrophobicContact CE2-CZ 4.49Å; F1048-F1268 HydrophobicContact CZ-CE2 4.01Å; F1048-F1268 HydrophobicContact CZ-CZ 4.34Å |
| 1049 | P | 54 | Low | 64.8 | Low | 77 Ų | 77 | 70 Ų | 70 | 50% | 0.5 | 37% | 0.367 | S | S | . | . | trans | -57.9 | 142.8 | -176.1 | 24.1 | -34 | 0 | 0 | 0 | 113.2 | F1046 F1051 | F1046-P1049 WeakPolarHBondContact O-CD 3.2Å; P1049-F1051 PolarHBondContact O-N 2.98Å | ||
| 1050 | L | 44.6 | Very low | 63 | Low | 89 Ų | 89 | 66.9 Ų | 66.9 | 47% | 0.466 | 36% | 0.355 | S | S | . | . | trans | -67.2 | 91.2 | -173.3 | -67 | 174.7 | 0 | 0 | 0 | 113.3 | A1023 W1024 T1027 | A1023-L1050 HydrophobicContact CB-CD2 4.48Å; A1023-L1050 HydrophobicContact CB-CG 3.95Å; A1023-L1050 WeakPolarHBondContact O-CD1 3.31Å; W1024-L1050 HydrophobicContact CD2-CD2 4.35Å; W1024-L1050 HydrophobicContact CE3-CD2 3.41Å; W1024-L1050 VanDerWaalsContact CE3-CD2 3.41Å; W1024-L1050 HydrophobicContact CZ3-CD2 3.94Å; T1027-L1050 HydrophobicContact CG2-CD1 3.88Å | ||
| 1051 | F | 45.8 | Very low | 61.8 | Low | 145 Ų | 145 | 69.6 Ų | 69.6 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | trans | -104.2 | 105.8 | 164.7 | -160.5 | -103.1 | 0 | 0 | 0 | 110.3 | P1049 | P1049-F1051 PolarHBondContact O-N 2.98Š| ||
| 1052 | L | 44.3 | Very low | 61.4 | Low | 39 Ų | 39 | 67.3 Ų | 67.3 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | trans | 52.2 | 87.4 | 168.3 | -77.2 | 139.7 | 0 | 0 | 0 | 116.2 | Y1054 L1055 F1643 T1644 | L1052-Y1054 PolarHBondContact O-N 3.47Å; L1052-L1055 HydrophobicContact CB-CD1 4.47Å; L1052-L1055 PolarHBondContact O-N 3.11Å; L1052-F1643 WeakPolarHBondContact CD2-O 3.44Å; L1052-T1644 WeakPolarHBondContact CD1-O 3.39Å; L1052-T1644 VanDerWaalsContact CD2-N 3.31Å; L1052-T1644 WeakPolarHBondContact CD2-O 2.97Å | ||
| 1053 | P | 40.6 | Very low | 61 | Low | 58 Ų | 58 | 67.2 Ų | 67.2 | 38% | 0.377 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -18.2 | -174 | -30.9 | 37.2 | 0 | 0 | 0 | 118.1 | W1024 M1059 | W1024-P1053 HydrophobicContact CH2-CB 4.03Å; W1024-P1053 HydrophobicContact CZ3-CB 4.05Å; W1024-P1053 HydrophobicContact CZ3-CG 4.26Å; P1053-M1059 HydrophobicContact CB-SD 4.5Å; P1053-M1059 WeakPolarHBondContact O-CE 3.48Å |
| 1054 | Y | 44.6 | Very low | 60.9 | Low | 159 Ų | 159 | 64.4 Ų | 64.4 | 62% | 0.624 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -3.4 | -173.2 | -61.4 | -78.2 | 0 | 0 | 0 | 114.4 | L1052 I1641 | L1052-Y1054 PolarHBondContact O-N 3.47Å; Y1054-I1641 HydrophobicContact CD2-CG2 3.96Å; Y1054-I1641 HydrophobicContact CE1-CG2 4.37Å; Y1054-I1641 HydrophobicContact CE2-CG2 3.24Å; Y1054-I1641 VanDerWaalsContact CZ-CG2 3.48Å |
| 1055 | L | 41.7 | Very low | 61 | Low | 117 Ų | 117 | 63.5 Ų | 63.5 | 61% | 0.613 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | -14.6 | -172.3 | -69.1 | 172.4 | 0 | 0 | 0 | 114.7 | L1052 | L1052-L1055 HydrophobicContact CB-CD1 4.47Å; L1052-L1055 PolarHBondContact O-N 3.11Å |
| 1056 | N | 36.3 | Very low | 61.3 | Low | 66 Ų | 66 | 62.2 Ų | 62.2 | 35% | 0.353 | 31% | 0.307 | S | S | . | . | trans | -107.6 | 109.4 | -169.2 | -170.5 | -11.6 | 0 | 0 | 0 | 112.7 | R1058 M1059 | N1056-R1058 PolarHBondContact O-N 3.1Å; N1056-R1058 VanDerWaalsContact O-N 3.13Å; N1056-R1058 VanDerWaalsContact OD1-CB 3.26Å; N1056-R1058 WeakPolarHBondContact OD1-CB 3.49Å; N1056-R1058 WeakPolarHBondContact OD1-CG 3.38Å; N1056-R1058 PolarHBondContact OD1-N 3.38Å; N1056-M1059 WeakPolarHBondContact O-CG 3.33Å; N1056-M1059 PolarHBondContact O-N 3.34Å | ||
| 1057 | P | 40.7 | Very low | 61.9 | Low | 110 Ų | 110 | 61.2 Ų | 61.2 | 71% | 0.714 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -66.2 | -13.6 | 178.8 | 27.2 | -34.5 | 0 | 0 | 0 | 113.9 | M1059 | P1057-M1059 PolarHBondContact O-N 2.91Å; P1057-M1059 VanDerWaalsContact O-N 3.15Å |
| 1058 | R | 43.8 | Very low | 63 | Low | 122 Ų | 122 | 61.1 Ų | 61.1 | 46% | 0.46 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -73.3 | 2.8 | 175.8 | -53.3 | -178.9 | -170.9 | 174.4 | 4.2 | 113.4 | I900 N1056 N1060 Y1061 | I900-R1058 PolarHBondContact O-NH1 2.93Å; N1056-R1058 PolarHBondContact O-N 3.1Å; N1056-R1058 VanDerWaalsContact O-N 3.13Å; N1056-R1058 VanDerWaalsContact OD1-CB 3.26Å; N1056-R1058 WeakPolarHBondContact OD1-CB 3.49Å; N1056-R1058 WeakPolarHBondContact OD1-CG 3.38Å; N1056-R1058 PolarHBondContact OD1-N 3.38Å; R1058-N1060 PolarHBondContact O-N 3.38Å; R1058-Y1061 HydrophobicContact CB-CD2 4.17Å; R1058-Y1061 PolarHBondContact O-N 3.11Å |
| 1059 | M | 49.3 | Very low | 64.5 | Low | 62 Ų | 62 | 59.3 Ų | 59.3 | 31% | 0.305 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -48.3 | -26.8 | 173.1 | -77.5 | -100.4 | -73.7 | 0 | 0 | 114.9 | W1024 P1053 N1056 P1057 R1062 | W1024-M1059 HydrophobicContact CE3-SD 3.97Å; W1024-M1059 HydrophobicContact CH2-CE 3.52Å; W1024-M1059 HydrophobicContact CH2-SD 3.58Å; W1024-M1059 VanDerWaalsContact CH2-SD 3.58Å; W1024-M1059 HydrophobicContact CZ2-CE 4.17Å; W1024-M1059 HydrophobicContact CZ2-SD 4.5Å; W1024-M1059 HydrophobicContact CZ3-CE 3.9Å; W1024-M1059 HydrophobicContact CZ3-SD 3.25Å; W1024-M1059 WeakPolarHBondContact CZ3-SD 3.46Å; P1053-M1059 HydrophobicContact CB-SD 4.5Å; P1053-M1059 WeakPolarHBondContact O-CE 3.48Å; N1056-M1059 WeakPolarHBondContact O-CG 3.33Å; N1056-M1059 PolarHBondContact O-N 3.34Å; P1057-M1059 PolarHBondContact O-N 2.91Å; P1057-M1059 VanDerWaalsContact O-N 3.15Å; M1059-R1062 PolarHBondContact O-NE 2.76Å; M1059-R1062 VanDerWaalsContact O-NE 3.08Å; M1059-R1062 PolarHBondContact O-NH2 2.86Å |
| 1060 | N | 56.6 | Low | 66.6 | Low | 89 Ų | 89 | 55.8 Ų | 55.8 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -76 | -25 | -175.9 | -65 | -18.7 | 0 | 0 | 0 | 114.3 | R1058 L1266 | R1058-N1060 PolarHBondContact O-N 3.38Å; N1060-L1266 HydrophobicContact CB-CD1 4.37Å |
| 1061 | Y | 69.9 | Low | 69 | Low | 75 Ų | 75 | 52 Ų | 52 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | trans | -83.4 | 124.7 | 179.5 | -57 | -49.4 | 0 | 0 | 0 | 109.8 | F1048 R1058 P1152 L1266 | F1048-Y1061 WeakPolarHBondContact CD2-O 3.45Å; F1048-Y1061 VanDerWaalsContact CE2-CB 3.48Å; R1058-Y1061 HydrophobicContact CB-CD2 4.17Å; R1058-Y1061 PolarHBondContact O-N 3.11Å; Y1061-P1152 HydrophobicContact CD1-CB 4.25Å; Y1061-P1152 HydrophobicContact CD1-CG 3.41Å; Y1061-P1152 VanDerWaalsContact CD1-CG 3.41Å; Y1061-P1152 HydrophobicContact CE1-CB 4Å; Y1061-P1152 HydrophobicContact CE1-CG 3.55Å; Y1061-P1152 HydrophobicContact CG-CG 4.23Å; Y1061-L1266 HydrophobicContact CD1-CB 4.4Å; Y1061-L1266 HydrophobicContact CD1-CD2 4.11Å; Y1061-L1266 WeakPolarHBondContact CD1-O 3.4Å; Y1061-L1266 HydrophobicContact CE1-CD2 3.64Å | ||
| 1062 | R | 80.4 | Confident | 71.2 | Confident | 13 Ų | 13 | 45.1 Ų | 45.1 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | trans | -137.1 | 148.6 | 178.5 | -62.8 | -64.5 | 154.7 | -158.1 | -3.3 | 111.9 | Y992 D1022 M1059 H1064 F1268 | Y992-R1062 HydrophobicContact CD2-CB 4.49Å; Y992-R1062 HydrophobicContact CE2-CB 3.98Å; Y992-R1062 HydrophobicContact CE2-CG 4.22Å; D1022-R1062 WeakPolarHBondContact OD1-CD 3.33Å; D1022-R1062 IonicContact OD1-NH1 3.57Å; D1022-R1062 WeakPolarHBondContact OD2-CA 3.42Å; D1022-R1062 WeakPolarHBondContact OD2-CB 2.94Å; D1022-R1062 WeakPolarHBondContact OD2-CD 3.4Å; D1022-R1062 IonicContact OD2-NH1 3.02Å; M1059-R1062 PolarHBondContact O-NE 2.76Å; M1059-R1062 VanDerWaalsContact O-NE 3.08Å; M1059-R1062 PolarHBondContact O-NH2 2.86Å; R1062-H1064 PolarHBondContact O-N 3.17Å; R1062-F1268 PolarHBondContact O-N 3.25Å | ||
| 1063 | N | 87.2 | Confident | 73.5 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -85.2 | 100.8 | 167.1 | -160.4 | -17.4 | 0 | 0 | 0 | 110.3 | E990 Y992 D1022 F1047 R1065 F1268 | E990-N1063 PolarHBondContact OE1-ND2 3.5Å; E990-N1063 PolarHBondContact OE2-ND2 3.03Å; Y992-N1063 WeakPolarHBondContact CA-O 3.26Å; Y992-N1063 WeakPolarHBondContact CB-O 3.25Å; Y992-N1063 WeakPolarHBondContact CD2-O 3.48Å; D1022-N1063 PolarHBondContact OD2-N 2.87Å; F1047-N1063 HydrophobicContact CB-CB 4.32Å; F1047-N1063 HydrophobicContact CD1-CB 3.55Å; F1047-N1063 HydrophobicContact CD2-CB 4.33Å; F1047-N1063 HydrophobicContact CE1-CB 3.77Å; F1047-N1063 HydrophobicContact CG-CB 3.84Å; F1047-N1063 HydrophobicContact CZ-CB 4.27Å; N1063-R1065 WeakPolarHBondContact OD1-CB 3.05Å; N1063-R1065 WeakPolarHBondContact OD1-CG 3.33Å; N1063-R1065 PolarHBondContact OD1-N 2.96Å; N1063-F1268 PolarHBondContact OD1-O 3.23Å |
| 1064 | H | 90.9 | Very high | 76.2 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | trans | -89.1 | -0.9 | 175.2 | -82.6 | -170.8 | 0 | 0 | 0 | 112.8 | Y992 R1062 K1066 S1256 R1262 D1267 F1268 E1269 | Y992-H1064 AromaticContact CD1-CD2 3.79Å; Y992-H1064 AromaticContact CD2-CD2 3.55Å; Y992-H1064 AromaticContact CE1-CD2 3.79Å; Y992-H1064 AromaticContact CE1-NE2 3.7Å; Y992-H1064 AromaticContact CE2-CD2 3.56Å; Y992-H1064 AromaticContact CE2-NE2 3.78Å; Y992-H1064 AromaticContact CG-CD2 3.69Å; Y992-H1064 AromaticContact CZ-CD2 3.68Å; Y992-H1064 AromaticContact CZ-NE2 3.49Å; R1062-H1064 PolarHBondContact O-N 3.17Å; H1064-K1066 VanDerWaalsContact O-CD 3.3Å; H1064-K1066 WeakPolarHBondContact O-CD 3.47Å; H1064-K1066 WeakPolarHBondContact O-CE 3.4Å; H1064-K1066 PolarHBondContact O-NZ 3.32Å; H1064-S1256 WeakPolarHBondContact O-CB 3.26Å; H1064-R1262 PolarHBondContact NE2-NH2 2.92Å; H1064-D1267 HydrophobicContact CB-CB 4.25Å; H1064-D1267 IonicContact CE1-OD1 3.95Å; H1064-D1267 IonicContact CE1-OD2 3.36Å; H1064-D1267 PolarHBondContact CE1-OD2 3.36Å; H1064-D1267 IonicContact ND1-OD2 3.81Å; H1064-D1267 PolarHBondContact ND1-OD2 3.09Å; H1064-D1267 IonicContact NE2-OD1 2.66Å; H1064-D1267 IonicContact NE2-OD2 2.75Å; H1064-F1268 CarbonylContact C-O 3.38Å; H1064-F1268 WeakPolarHBondContact CA-O 3.08Å; H1064-F1268 WeakPolarHBondContact CB-O 3.45Å; H1064-F1268 PolarHBondContact N-O 2.88Å; H1064-E1269 HydrophobicContact CB-CG 4.27Å; H1064-E1269 VanDerWaalsContact CB-OE1 3.25Å; H1064-E1269 WeakPolarHBondContact CB-OE1 3.33Å; H1064-E1269 VanDerWaalsContact CB-OE2 3.26Å; H1064-E1269 WeakPolarHBondContact CB-OE2 3.06Å; H1064-E1269 IonicContact CE1-OE1 3.23Å; H1064-E1269 IonicContact CG-OE1 2.71Å; H1064-E1269 IonicContact ND1-OE1 2.82Å; H1064-E1269 PolarHBondContact ND1-OE1 2.89Å | ||
| 1065 | R | 93.3 | Very high | 78.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -65.7 | 152.1 | 175.5 | -56.6 | 174.9 | -177.6 | 134.5 | 5.6 | 110.2 | E990 Y992 N1063 I1067 R1114 D1118 S1150 D1153 F1268 E1269 V1270 | E990-R1065 WeakPolarHBondContact OE1-CB 3.44Å; Y992-R1065 PolarHBondContact N-O 3.32Å; N1063-R1065 WeakPolarHBondContact OD1-CB 3.05Å; N1063-R1065 WeakPolarHBondContact OD1-CG 3.33Å; N1063-R1065 PolarHBondContact OD1-N 2.96Å; R1065-I1067 HydrophobicContact CB-CD1 4.16Å; R1065-I1067 HydrophobicContact CB-CG1 4.21Å; R1065-R1114 VanDerWaalsContact NH1-NH1 3.17Å; R1065-D1118 WeakPolarHBondContact CD-OD2 3.49Å; R1065-D1118 IonicContact CZ-OD2 3.59Å; R1065-D1118 IonicContact NE-OD2 3.52Å; R1065-D1118 IonicContact NH1-OD1 2.64Å; R1065-D1118 PolarHBondContact NH1-OD1 3.03Å; R1065-D1118 IonicContact NH1-OD2 3.86Å; R1065-D1118 PolarHBondContact NH1-OD2 3.31Å; R1065-S1150 PolarHBondContact NH2-O 2.8Å; R1065-D1153 IonicContact NH2-OD1 2.67Å; R1065-F1268 WeakPolarHBondContact CG-O 3.46Å; R1065-F1268 PolarHBondContact N-O 3.07Å; R1065-E1269 PolarHBondContact NE-O 2.97Å; R1065-V1270 HydrophobicContact CB-CG1 3.85Å; R1065-V1270 HydrophobicContact CG-CB 4.04Å; R1065-V1270 HydrophobicContact CG-CG1 3.8Å | ||
| 1066 | K | 96 | Very high | 81.4 | Confident | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 96.7 | 170.4 | -62.1 | 95.1 | -170.4 | 169 | 0 | 105.5 | E990 Y991 H1064 T1077 G1078 N1081 | E990-K1066 CarbonylContact O-C 3.57Å; E990-K1066 WeakPolarHBondContact O-CA 3.34Å; Y991-K1066 HydrophobicContact CD1-CB 3.81Å; Y991-K1066 HydrophobicContact CD1-CG 3.61Å; Y991-K1066 HydrophobicContact CE1-CB 3.75Å; Y991-K1066 HydrophobicContact CE1-CG 3.93Å; H1064-K1066 VanDerWaalsContact O-CD 3.3Å; H1064-K1066 WeakPolarHBondContact O-CD 3.47Å; H1064-K1066 WeakPolarHBondContact O-CE 3.4Å; H1064-K1066 PolarHBondContact O-NZ 3.32Å; K1066-T1077 VanDerWaalsContact O-CA 3.32Å; K1066-T1077 WeakPolarHBondContact O-CA 3.18Å; K1066-T1077 PolarHBondContact O-OG1 3.26Å; K1066-G1078 VanDerWaalsContact CD-O 3.27Å; K1066-G1078 WeakPolarHBondContact CD-O 3.31Å; K1066-N1081 WeakPolarHBondContact CE-OD1 3.31Å; K1066-N1081 WeakPolarHBondContact CG-OD1 3.47Å |
| 1067 | I | 97.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.1 | -173.2 | -63.1 | 176.6 | 0 | 0 | 0 | 108 | M989 E990 R1065 V1069 Y1076 L1111 R1114 F1115 V1270 | M989-I1067 CarbonylContact C-O 3.44Å; M989-I1067 WeakPolarHBondContact CA-O 3.2Å; E990-I1067 HydrophobicContact CB-CB 4.47Å; E990-I1067 PolarHBondContact N-O 3.01Å; E990-I1067 PolarHBondContact O-N 3.01Å; R1065-I1067 HydrophobicContact CB-CD1 4.16Å; R1065-I1067 HydrophobicContact CB-CG1 4.21Å; I1067-V1069 HydrophobicContact CG2-CG2 4.25Å; I1067-Y1076 WeakPolarHBondContact CA-O 3.35Å; I1067-L1111 HydrophobicContact CD1-CD2 4.35Å; I1067-L1111 HydrophobicContact CG1-CD2 4.3Å; I1067-L1111 HydrophobicContact CG2-CB 4.04Å; I1067-L1111 HydrophobicContact CG2-CD2 4.44Å; I1067-R1114 HydrophobicContact CD1-CB 4.4Å; I1067-R1114 HydrophobicContact CD1-CG 3.82Å; I1067-F1115 HydrophobicContact CG2-CB 4.36Å; I1067-V1270 HydrophobicContact CD1-CG1 4.3Å; I1067-V1270 HydrophobicContact CG1-CG1 4.18Å |
| 1068 | V | 98.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 136.1 | 161.4 | -158.4 | 0 | 0 | 0 | 0 | 108.4 | L976 I987 H988 M989 Y991 I1070 G1075 Y1076 | L976-V1068 HydrophobicContact CD1-CB 4.27Å; L976-V1068 HydrophobicContact CD1-CG1 4.12Å; L976-V1068 HydrophobicContact CD1-CG2 4.06Å; L976-V1068 HydrophobicContact CD2-CG2 4.28Å; I987-V1068 HydrophobicContact CG2-CG1 4.21Å; H988-V1068 CarbonylContact O-C 3.54Å; H988-V1068 VanDerWaalsContact O-CA 3.3Å; H988-V1068 WeakPolarHBondContact O-CA 3.36Å; H988-V1068 WeakPolarHBondContact O-CG1 3.27Å; M989-V1068 HydrophobicContact CB-CG1 4.2Å; M989-V1068 HydrophobicContact CE-CG1 3.75Å; M989-V1068 HydrophobicContact CE-CG2 3.97Å; M989-V1068 HydrophobicContact CG-CG1 4.42Å; M989-V1068 HydrophobicContact CG-CG2 4.22Å; Y991-V1068 HydrophobicContact CE2-CG2 3.9Å; V1068-I1070 HydrophobicContact CG1-CD1 4.44Å; V1068-I1070 HydrophobicContact CG1-CG1 4.05Å; V1068-G1075 CarbonylContact O-C 3.1Å; V1068-G1075 VanDerWaalsContact O-CA 3.23Å; V1068-G1075 WeakPolarHBondContact O-CA 3.36Å; V1068-Y1076 HydrophobicContact CB-CD2 4.43Å; V1068-Y1076 PolarHBondContact N-O 3.49Å; V1068-Y1076 PolarHBondContact O-N 2.88Å |
| 1069 | V | 97.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.6 | 167.2 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | I987 H988 I1067 I1074 V1108 L1111 Q1112 | I987-V1069 WeakPolarHBondContact CA-O 3.33Å; H988-V1069 HydrophobicContact CB-CB 4.4Å; H988-V1069 PolarHBondContact N-O 3.35Å; H988-V1069 PolarHBondContact O-N 2.88Å; I1067-V1069 HydrophobicContact CG2-CG2 4.25Å; V1069-I1074 CarbonylContact C-O 3.54Å; V1069-I1074 WeakPolarHBondContact CA-O 3.34Å; V1069-V1108 HydrophobicContact CG1-CG1 3.76Å; V1069-V1108 HydrophobicContact CG2-CG1 4.15Å; V1069-L1111 HydrophobicContact CG2-CB 3.87Å; V1069-Q1112 HydrophobicContact CG1-CB 4.29Å; V1069-Q1112 HydrophobicContact CG2-CB 4.29Å |
| 1070 | I | 98.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 14.3 Ų | 14.3 | 2% | 0.015 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 121.6 | -178.1 | -58.6 | 175.6 | 0 | 0 | 0 | 107.5 | L976 D979 I980 A983 I987 V1068 G1072 E1073 I1074 Y1076 | L976-I1070 HydrophobicContact CD1-CD1 4.16Å; D979-I1070 HydrophobicContact CB-CD1 3.73Å; I980-I1070 HydrophobicContact CG1-CD1 3.95Å; A983-I1070 HydrophobicContact CB-CG2 3.58Å; I987-I1070 HydrophobicContact CG1-CG1 4.4Å; I987-I1070 HydrophobicContact CG1-CG2 4.37Å; I987-I1070 HydrophobicContact CG2-CG1 4.44Å; V1068-I1070 HydrophobicContact CG1-CD1 4.44Å; V1068-I1070 HydrophobicContact CG1-CG1 4.05Å; I1070-G1072 PolarHBondContact O-N 2.62Å; I1070-E1073 PolarHBondContact O-N 3.26Å; I1070-I1074 HydrophobicContact CB-CB 4.38Å; I1070-I1074 PolarHBondContact N-O 3.08Å; I1070-I1074 PolarHBondContact O-N 3.18Å; I1070-I1074 VanDerWaalsContact O-N 3.15Å; I1070-Y1076 HydrophobicContact CD1-CE2 4.37Å |
| 1071 | D | 95.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 10.2 Ų | 10.2 | 5% | 0.053 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 5.5 | -177.3 | -66.2 | -20.5 | 0 | 0 | 0 | 115.7 | A983 K984 Y985 H986 E1073 | A983-D1071 WeakPolarHBondContact CA-OD2 3.43Å; K984-D1071 PolarHBondContact N-OD1 2.65Å; K984-D1071 PolarHBondContact N-OD2 3.45Å; Y985-D1071 WeakPolarHBondContact CA-OD1 3.43Å; Y985-D1071 WeakPolarHBondContact CB-OD1 3.33Å; Y985-D1071 HydrophobicContact CD2-CB 4.05Å; Y985-D1071 PolarHBondContact N-OD1 3.45Å; H986-D1071 PolarHBondContact CE1-O 3.18Å; H986-D1071 PolarHBondContact N-OD1 3.25Å; H986-D1071 PolarHBondContact O-N 3.33Å; D1071-E1073 PolarHBondContact O-N 3.21Å |
| 1072 | G | 91.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 6.6 Ų | 6.6 | 1% | 0.01 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -14.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | H986 I1070 V1108 I1137 | H986-G1072 PolarHBondContact CE1-N 3.21Å; H986-G1072 WeakPolarHBondContact NE2-CA 3.5Å; H986-G1072 PolarHBondContact NE2-N 2.82Å; I1070-G1072 PolarHBondContact O-N 2.62Å; G1072-V1108 VanDerWaalsContact O-CG1 3.27Å; G1072-V1108 WeakPolarHBondContact O-CG1 3.31Å; G1072-I1137 WeakPolarHBondContact O-CD1 3.14Å |
| 1073 | E | 93.2 | Very high | 95 | Very high | 61 Ų | 61 | 6 Ų | 6 | 29% | 0.285 | 3% | 0.029 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -38.7 | -176.1 | -62.4 | 169.6 | -167.5 | 0 | 0 | 112.8 | I1070 D1071 H1104 P1135 | I1070-E1073 PolarHBondContact O-N 3.26Å; D1071-E1073 PolarHBondContact O-N 3.21Å; E1073-H1104 PolarHBondContact O-CD2 3.48Å; E1073-P1135 HydrophobicContact CG-CG 4.06Å |
| 1074 | I | 96.6 | Very high | 95.2 | Very high | 24 Ų | 24 | 7.1 Ų | 7.1 | 12% | 0.123 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.2 | -172.9 | -60.1 | 160.3 | 0 | 0 | 0 | 110 | V1069 I1070 Y1076 R1102 I1103 | V1069-I1074 CarbonylContact C-O 3.54Å; V1069-I1074 WeakPolarHBondContact CA-O 3.34Å; I1070-I1074 HydrophobicContact CB-CB 4.38Å; I1070-I1074 PolarHBondContact N-O 3.08Å; I1070-I1074 PolarHBondContact O-N 3.18Å; I1070-I1074 VanDerWaalsContact O-N 3.15Å; I1074-Y1076 HydrophobicContact CG2-CD2 4.23Å; I1074-Y1076 HydrophobicContact CG2-CE2 3.83Å; I1074-R1102 HydrophobicContact CG2-CG 4.25Å; I1074-I1103 WeakPolarHBondContact CA-O 3.45Å |
| 1075 | G | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 149.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | V1068 R1102 I1103 | V1068-G1075 CarbonylContact O-C 3.1Å; V1068-G1075 VanDerWaalsContact O-CA 3.23Å; V1068-G1075 WeakPolarHBondContact O-CA 3.36Å; G1075-R1102 CarbonylContact O-C 3.46Å; G1075-R1102 WeakPolarHBondContact O-CA 3.31Å; G1075-I1103 PolarHBondContact N-O 2.99Å; G1075-I1103 PolarHBondContact O-N 2.96Å |
| 1076 | Y | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 138 | 166.9 | -74.3 | -104.5 | 0 | 0 | 0 | 110.1 | A975 L976 D979 I1067 V1068 I1070 I1074 L1101 R1102 | A975-Y1076 VanDerWaalsContact C-OH 3.31Å; A975-Y1076 PolarHBondContact O-OH 2.82Å; L976-Y1076 HydrophobicContact CB-CE1 4.08Å; L976-Y1076 HydrophobicContact CD1-CD1 4.46Å; L976-Y1076 HydrophobicContact CD1-CD2 3.8Å; L976-Y1076 HydrophobicContact CD1-CE1 4.45Å; L976-Y1076 HydrophobicContact CD1-CE2 3.8Å; L976-Y1076 HydrophobicContact CD1-CG 4.15Å; L976-Y1076 PolarHBondContact N-OH 2.99Å; D979-Y1076 PolarHBondContact OD2-OH 3.19Å; I1067-Y1076 WeakPolarHBondContact CA-O 3.35Å; V1068-Y1076 HydrophobicContact CB-CD2 4.43Å; V1068-Y1076 PolarHBondContact N-O 3.49Å; V1068-Y1076 PolarHBondContact O-N 2.88Å; I1070-Y1076 HydrophobicContact CD1-CE2 4.37Å; I1074-Y1076 HydrophobicContact CG2-CD2 4.23Å; I1074-Y1076 HydrophobicContact CG2-CE2 3.83Å; Y1076-L1101 VanDerWaalsContact CA-O 3.27Å; Y1076-L1101 WeakPolarHBondContact CA-O 3.48Å; Y1076-R1102 HydrophobicContact CD1-CB 4.01Å; Y1076-R1102 HydrophobicContact CD1-CG 4.44Å; Y1076-R1102 HydrophobicContact CD2-CG 4.48Å; Y1076-R1102 HydrophobicContact CE1-CB 3.69Å; Y1076-R1102 HydrophobicContact CE1-CG 3.9Å; Y1076-R1102 HydrophobicContact CE2-CG 3.93Å; Y1076-R1102 WeakPolarHBondContact OH-CD 3.24Å; Y1076-R1102 PolarHBondContact OH-NE 3.46Å |
| 1077 | T | 97.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 1% | 0.006 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 149.9 | 171.8 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | K1066 H1100 L1101 I1103 L1111 M1147 T1272 | K1066-T1077 VanDerWaalsContact O-CA 3.32Å; K1066-T1077 WeakPolarHBondContact O-CA 3.18Å; K1066-T1077 PolarHBondContact O-OG1 3.26Å; T1077-H1100 PolarHBondContact O-CD2 3.42Å; T1077-L1101 PolarHBondContact N-O 3.45Å; T1077-L1101 PolarHBondContact O-N 3.14Å; T1077-I1103 HydrophobicContact CG2-CD1 4.3Å; T1077-L1111 HydrophobicContact CG2-CD1 4.15Å; T1077-L1111 HydrophobicContact CG2-CD2 4.21Å; T1077-M1147 HydrophobicContact CG2-CE 3.95Å; T1077-M1147 HydrophobicContact CG2-SD 4.39Å; T1077-T1272 WeakPolarHBondContact CG2-OG1 3.49Å |
| 1078 | G | 94.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.8 | -153.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1066 H1100 G1255 | K1066-G1078 VanDerWaalsContact CD-O 3.27Å; K1066-G1078 WeakPolarHBondContact CD-O 3.31Å; G1078-H1100 WeakPolarHBondContact CA-ND1 3.47Å; G1078-G1255 CarbonylContact C-O 3.53Å |
| 1079 | G | 90.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -89.7 | -36.3 | -172 | 0 | 0 | 0 | 0 | 0 | 117 | N1081 D1098 N1099 G1255 | G1079-N1081 PolarHBondContact O-N 3.45Å; G1079-D1098 WeakPolarHBondContact CA-OD1 3.2Å; G1079-D1098 VanDerWaalsContact CA-OD2 3.26Å; G1079-D1098 WeakPolarHBondContact CA-OD2 3.44Å; G1079-N1099 PolarHBondContact N-O 3.02Å; G1079-G1255 PolarHBondContact N-O 3Å |
| 1080 | F | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -57.5 | 128.9 | -178.6 | -70.1 | -63.5 | 0 | 0 | 0 | 112.6 | G969 K972 F973 Y991 Y1086 W1096 D1098 H1100 | G969-F1080 VanDerWaalsContact N-CZ 3.28Å; K972-F1080 HydrophobicContact CB-CD2 4.26Å; K972-F1080 HydrophobicContact CB-CE2 4.45Å; K972-F1080 HydrophobicContact CD-CB 4.4Å; K972-F1080 HydrophobicContact CD-CD2 4.33Å; K972-F1080 HydrophobicContact CG-CD2 4.21Å; F973-F1080 HydrophobicContact CE2-CB 4.45Å; Y991-F1080 WeakPolarHBondContact CE1-O 3.27Å; F1080-Y1086 HydrophobicContact CD1-CD1 4.15Å; F1080-W1096 AromaticContact CE1-CD1 3.97Å; F1080-D1098 HydrophobicContact CD1-CB 3.64Å; F1080-D1098 HydrophobicContact CD2-CB 4.23Å; F1080-D1098 HydrophobicContact CE1-CB 3.48Å; F1080-D1098 VanDerWaalsContact CE1-CB 3.48Å; F1080-D1098 HydrophobicContact CE2-CB 4.06Å; F1080-D1098 WeakPolarHBondContact CE2-O 3.46Å; F1080-D1098 HydrophobicContact CG-CB 3.99Å; F1080-D1098 HydrophobicContact CZ-CB 3.68Å; F1080-D1098 WeakPolarHBondContact CZ-O 3.35Å; F1080-D1098 PolarHBondContact N-OD2 3.42Å; F1080-H1100 HydrophobicContact CD2-CB 3.6Å; F1080-H1100 HydrophobicContact CE2-CB 4.27Å | ||
| 1081 | N | 95.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.011 | 14% | 0.135 | C | C | . | . | trans | -97.5 | -175.2 | 167.1 | -65.6 | -69 | 0 | 0 | 0 | 111.1 | F973 I993 K1066 G1079 Y1086 | F973-N1081 VanDerWaalsContact CE2-O 3.25Å; F973-N1081 WeakPolarHBondContact CE2-O 3.42Å; F973-N1081 WeakPolarHBondContact CZ-O 3.49Å; I993-N1081 HydrophobicContact CB-CB 3.75Å; I993-N1081 HydrophobicContact CG2-CB 4.29Å; I993-N1081 PolarHBondContact N-OD1 2.84Å; I993-N1081 WeakPolarHBondContact O-CB 3.29Å; K1066-N1081 WeakPolarHBondContact CE-OD1 3.31Å; K1066-N1081 WeakPolarHBondContact CG-OD1 3.47Å; G1079-N1081 PolarHBondContact O-N 3.45Å; N1081-Y1086 HydrophobicContact CB-CD2 4.01Å; N1081-Y1086 HydrophobicContact CB-CE1 4.08Å; N1081-Y1086 HydrophobicContact CB-CE2 3.53Å; N1081-Y1086 PolarHBondContact ND2-OH 3.18Å; N1081-Y1086 WeakPolarHBondContact O-CD2 3.46Å | ||
| 1082 | V | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -96.9 | 114.5 | 177.6 | -170.7 | 0 | 0 | 0 | 0 | 110.8 | F973 Y991 I993 Y994 R995 L999 V1003 | F973-V1082 HydrophobicContact CE1-CG2 3.96Å; F973-V1082 HydrophobicContact CZ-CB 4.38Å; F973-V1082 HydrophobicContact CZ-CG2 3.91Å; Y991-V1082 HydrophobicContact CD1-CG2 3.96Å; Y991-V1082 HydrophobicContact CD2-CG2 3.94Å; Y991-V1082 HydrophobicContact CE1-CG2 4.04Å; Y991-V1082 HydrophobicContact CE2-CG2 4.03Å; Y991-V1082 HydrophobicContact CG-CG2 3.93Å; I993-V1082 PolarHBondContact O-N 2.78Å; I993-V1082 VanDerWaalsContact O-N 3.1Å; Y994-V1082 WeakPolarHBondContact CA-O 3.48Å; Y994-V1082 HydrophobicContact CD1-CB 4.27Å; Y994-V1082 HydrophobicContact CD1-CG1 4.07Å; Y994-V1082 HydrophobicContact CD2-CB 3.81Å; Y994-V1082 HydrophobicContact CD2-CG1 4.15Å; Y994-V1082 HydrophobicContact CD2-CG2 3.71Å; Y994-V1082 HydrophobicContact CE1-CG1 3.98Å; Y994-V1082 HydrophobicContact CE2-CB 4.16Å; Y994-V1082 HydrophobicContact CE2-CG1 4.08Å; Y994-V1082 HydrophobicContact CE2-CG2 3.89Å; Y994-V1082 HydrophobicContact CG-CB 3.91Å; Y994-V1082 HydrophobicContact CG-CG1 4.19Å; Y994-V1082 HydrophobicContact CG-CG2 4.32Å; R995-V1082 PolarHBondContact N-O 3.01Å; L999-V1082 HydrophobicContact CG-CG1 4.2Å; V1003-V1082 HydrophobicContact CB-CG1 4.31Å; V1003-V1082 HydrophobicContact CG2-CG1 4.07Å |
| 1083 | G | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 161.9 | 158.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D997 E1085 Y1086 | D997-G1083 WeakPolarHBondContact OD2-CA 3.45Å; G1083-E1085 PolarHBondContact O-N 2.73Å; G1083-E1085 VanDerWaalsContact O-N 3.15Å; G1083-Y1086 WeakPolarHBondContact O-CB 3.49Å; G1083-Y1086 WeakPolarHBondContact O-CD2 3.43Å; G1083-Y1086 PolarHBondContact O-N 3.28Å |
| 1084 | D | 92.3 | Very high | 91 | Very high | 25 Ų | 25 | 30.5 Ų | 30.5 | 13% | 0.134 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -65.5 | -22.1 | -170.7 | -66 | -21.4 | 0 | 0 | 0 | 113.3 | D997 D998 L999 Y1086 L1087 G1088 L1089 V1090 | D997-D1084 WeakPolarHBondContact CB-OD2 3.31Å; D997-D1084 PolarHBondContact OD2-N 2.96Å; D998-D1084 PolarHBondContact N-OD2 3.49Å; L999-D1084 VanDerWaalsContact CB-OD1 3.31Å; L999-D1084 WeakPolarHBondContact CB-OD1 3.31Å; L999-D1084 PolarHBondContact N-OD1 3.01Å; D1084-Y1086 PolarHBondContact O-N 3.46Å; D1084-L1087 PolarHBondContact O-N 3.09Å; D1084-L1087 VanDerWaalsContact O-N 3.16Å; D1084-G1088 PolarHBondContact O-N 3.42Å; D1084-L1089 HydrophobicContact CB-CB 4.38Å; D1084-L1089 HydrophobicContact CB-CD1 4.29Å; D1084-L1089 PolarHBondContact O-N 2.72Å; D1084-V1090 HydrophobicContact CB-CG2 4.43Å |
| 1085 | E | 88.6 | Confident | 90.8 | Very high | 23 Ų | 23 | 32.6 Ų | 32.6 | 11% | 0.107 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -57.1 | -35.1 | 167.9 | 58 | -136.3 | -127.5 | 0 | 0 | 112.6 | R995 G1083 L1087 G1088 V1090 F1093 W1096 | R995-E1085 IonicContact CZ-OE1 3.33Å; R995-E1085 VanDerWaalsContact CZ-OE1 3.3Å; R995-E1085 IonicContact CZ-OE2 2.72Å; R995-E1085 IonicContact NE-OE1 2.72Å; R995-E1085 PolarHBondContact NE-OE1 2.89Å; R995-E1085 VanDerWaalsContact NE-OE1 3.09Å; R995-E1085 IonicContact NE-OE2 3.72Å; R995-E1085 PolarHBondContact NE-OE2 2.92Å; R995-E1085 IonicContact NH2-OE1 2.82Å; R995-E1085 PolarHBondContact NH2-OE1 3.28Å; R995-E1085 IonicContact NH2-OE2 3.98Å; G1083-E1085 PolarHBondContact O-N 2.73Å; G1083-E1085 VanDerWaalsContact O-N 3.15Å; E1085-L1087 VanDerWaalsContact C-N 3.32Å; E1085-L1087 PolarHBondContact O-N 3.41Å; E1085-G1088 PolarHBondContact O-N 2.71Å; E1085-V1090 HydrophobicContact CB-CB 4.18Å; E1085-V1090 HydrophobicContact CB-CG2 3.94Å; E1085-F1093 HydrophobicContact CB-CD2 4.1Å; E1085-F1093 HydrophobicContact CB-CE2 4.16Å; E1085-W1096 HydrophobicContact CB-CE3 4.29Å; E1085-W1096 HydrophobicContact CB-CZ3 4.31Å; E1085-W1096 WeakPolarHBondContact O-CB 3.28Å |
| 1086 | Y | 93 | Very high | 90.7 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -79.2 | -13.1 | 178.3 | -61 | -77 | 0 | 0 | 0 | 113.8 | I993 F1080 N1081 G1083 D1084 G1088 W1096 | I993-Y1086 HydrophobicContact CG2-CE2 4.28Å; F1080-Y1086 HydrophobicContact CD1-CD1 4.15Å; N1081-Y1086 HydrophobicContact CB-CD2 4.01Å; N1081-Y1086 HydrophobicContact CB-CE1 4.08Å; N1081-Y1086 HydrophobicContact CB-CE2 3.53Å; N1081-Y1086 PolarHBondContact ND2-OH 3.18Å; N1081-Y1086 WeakPolarHBondContact O-CD2 3.46Å; G1083-Y1086 WeakPolarHBondContact O-CB 3.49Å; G1083-Y1086 WeakPolarHBondContact O-CD2 3.43Å; G1083-Y1086 PolarHBondContact O-N 3.28Å; D1084-Y1086 PolarHBondContact O-N 3.46Å; Y1086-G1088 VanDerWaalsContact C-N 3.34Å; Y1086-W1096 AromaticContact CD1-CD1 3.77Å; Y1086-W1096 AromaticContact CD1-CD2 3.99Å; Y1086-W1096 HydrophobicContact CD1-CD2 3.99Å; Y1086-W1096 AromaticContact CD1-CE2 3.55Å; Y1086-W1096 HydrophobicContact CD1-CG 4.15Å; Y1086-W1096 HydrophobicContact CD1-CZ2 4.05Å; Y1086-W1096 AromaticContact CD1-NE1 3.38Å; Y1086-W1096 HydrophobicContact CE1-CD2 4.12Å; Y1086-W1096 AromaticContact CE1-CE2 3.34Å; Y1086-W1096 HydrophobicContact CE1-CH2 4.09Å; Y1086-W1096 AromaticContact CE1-CZ2 3.34Å; Y1086-W1096 HydrophobicContact CE1-CZ2 3.34Å; Y1086-W1096 AromaticContact CE1-NE1 3.49Å; Y1086-W1096 AromaticContact CZ-CZ2 3.96Å |
| 1087 | L | 92.1 | Very high | 90.5 | Very high | 22 Ų | 22 | 33.4 Ų | 33.4 | 12% | 0.115 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -89.6 | -0.4 | 169.1 | -59.7 | -176.4 | 0 | 0 | 0 | 112.5 | R970 F973 L999 D1084 E1085 L1089 | R970-L1087 HydrophobicContact CB-CD2 4Å; R970-L1087 VanDerWaalsContact NH2-CD1 3.35Å; F973-L1087 HydrophobicContact CD2-CD2 4.48Å; L999-L1087 HydrophobicContact CB-CD1 3.92Å; L999-L1087 HydrophobicContact CB-CG 4.46Å; L999-L1087 HydrophobicContact CD1-CD1 4.4Å; L999-L1087 HydrophobicContact CD2-CD1 4.14Å; L999-L1087 HydrophobicContact CD2-CD2 3.96Å; L999-L1087 HydrophobicContact CD2-CG 3.83Å; L999-L1087 HydrophobicContact CG-CD1 4.36Å; D1084-L1087 PolarHBondContact O-N 3.09Å; D1084-L1087 VanDerWaalsContact O-N 3.16Å; E1085-L1087 VanDerWaalsContact C-N 3.32Å; E1085-L1087 PolarHBondContact O-N 3.41Å; L1087-L1089 HydrophobicContact CB-CD1 3.93Å; L1087-L1089 HydrophobicContact CB-CG 3.84Å; L1087-L1089 HydrophobicContact CD1-CD1 3.88Å; L1087-L1089 PolarHBondContact O-N 2.65Å |
| 1088 | G | 86.2 | Confident | 90.4 | Very high | 20 Ų | 20 | 33.4 Ų | 33.4 | 21% | 0.206 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 10.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D1084 E1085 Y1086 V1090 G1094 | D1084-G1088 PolarHBondContact O-N 3.42Å; E1085-G1088 PolarHBondContact O-N 2.71Å; Y1086-G1088 VanDerWaalsContact C-N 3.34Å; G1088-V1090 VanDerWaalsContact C-N 3.32Å; G1088-G1094 WeakPolarHBondContact CA-O 3.42Å |
| 1089 | L | 88.7 | Confident | 90.6 | Very high | 121 Ų | 121 | 33.4 Ų | 33.4 | 63% | 0.634 | 17% | 0.168 | S | C | * | . | trans | -76.2 | -20.2 | -177.5 | -61.4 | 174.2 | 0 | 0 | 0 | 112.8 | D1084 L1087 E1091 | D1084-L1089 HydrophobicContact CB-CB 4.38Å; D1084-L1089 HydrophobicContact CB-CD1 4.29Å; D1084-L1089 PolarHBondContact O-N 2.72Å; L1087-L1089 HydrophobicContact CB-CD1 3.93Å; L1087-L1089 HydrophobicContact CB-CG 3.84Å; L1087-L1089 HydrophobicContact CD1-CD1 3.88Å; L1087-L1089 PolarHBondContact O-N 2.65Å; L1089-E1091 PolarHBondContact O-N 2.69Å | ||
| 1090 | V | 86.1 | Confident | 90.9 | Very high | 48 Ų | 48 | 33.4 Ų | 33.4 | 29% | 0.291 | 17% | 0.168 | S | C | . | . | trans | -86.9 | 101.4 | -177.9 | 178.7 | 0 | 0 | 0 | 0 | 111 | D1084 E1085 G1088 K1092 F1093 G1094 | D1084-V1090 HydrophobicContact CB-CG2 4.43Å; E1085-V1090 HydrophobicContact CB-CB 4.18Å; E1085-V1090 HydrophobicContact CB-CG2 3.94Å; G1088-V1090 VanDerWaalsContact C-N 3.32Å; V1090-K1092 HydrophobicContact CG1-CB 4.2Å; V1090-K1092 PolarHBondContact O-N 3.06Å; V1090-F1093 HydrophobicContact CB-CD2 4.14Å; V1090-F1093 HydrophobicContact CG1-CD2 3.75Å; V1090-F1093 HydrophobicContact CG1-CE2 4.1Å; V1090-F1093 PolarHBondContact O-N 2.7Å; V1090-G1094 PolarHBondContact O-N 3.35Å | ||
| 1091 | E | 78.3 | Confident | 91 | Very high | 179 Ų | 179 | 33.4 Ų | 33.4 | 84% | 0.836 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -45.7 | -38.4 | -176.2 | -172.5 | -176.4 | -170.9 | 0 | 0 | 114.8 | L1089 F1093 G1094 | L1089-E1091 PolarHBondContact O-N 2.69Å; E1091-F1093 VanDerWaalsContact C-N 3.25Å; E1091-F1093 PolarHBondContact O-N 2.82Å; E1091-G1094 PolarHBondContact O-N 3.38Å |
| 1092 | K | 81 | Confident | 91.1 | Very high | 129 Ų | 129 | 35 Ų | 35 | 56% | 0.561 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -49 | 176.7 | -176.3 | -155 | 168 | -160.3 | 0 | 111.4 | V1090 D1210 | V1090-K1092 HydrophobicContact CG1-CB 4.2Å; V1090-K1092 PolarHBondContact O-N 3.06Å; K1092-D1210 PolarHBondContact NZ-O 3.05Å |
| 1093 | F | 82.9 | Confident | 91.2 | Very high | 24 Ų | 24 | 35 Ų | 35 | 11% | 0.105 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -42.1 | 178.5 | -53 | -74.3 | 0 | 0 | 0 | 110.1 | E1085 V1090 E1091 W1096 K1208 D1210 G1238 F1239 | E1085-F1093 HydrophobicContact CB-CD2 4.1Å; E1085-F1093 HydrophobicContact CB-CE2 4.16Å; V1090-F1093 HydrophobicContact CB-CD2 4.14Å; V1090-F1093 HydrophobicContact CG1-CD2 3.75Å; V1090-F1093 HydrophobicContact CG1-CE2 4.1Å; V1090-F1093 PolarHBondContact O-N 2.7Å; E1091-F1093 VanDerWaalsContact C-N 3.25Å; E1091-F1093 PolarHBondContact O-N 2.82Å; F1093-W1096 HydrophobicContact CB-CE3 4.06Å; F1093-W1096 HydrophobicContact CB-CZ3 4.2Å; F1093-W1096 AromaticContact CD1-CZ3 3.82Å; F1093-W1096 HydrophobicContact CD1-CZ3 3.82Å; F1093-W1096 HydrophobicContact CD2-CE3 4.36Å; F1093-W1096 AromaticContact CD2-CZ3 3.94Å; F1093-W1096 HydrophobicContact CD2-CZ3 3.94Å; F1093-W1096 HydrophobicContact CE1-CZ3 4.08Å; F1093-W1096 HydrophobicContact CE2-CZ3 4.2Å; F1093-W1096 HydrophobicContact CG-CE3 4.1Å; F1093-W1096 AromaticContact CG-CZ3 3.74Å; F1093-W1096 HydrophobicContact CG-CZ3 3.74Å; F1093-W1096 HydrophobicContact CZ-CZ3 4.26Å; F1093-K1208 VanDerWaalsContact O-CD 3.23Å; F1093-K1208 WeakPolarHBondContact O-CD 3.49Å; F1093-K1208 PolarHBondContact O-NZ 2.86Å; F1093-D1210 HydrophobicContact CE1-CB 3.91Å; F1093-G1238 CarbonylContact O-C 2.94Å; F1093-G1238 VanDerWaalsContact O-CA 3.26Å; F1093-G1238 WeakPolarHBondContact O-CA 3.33Å; F1093-F1239 HydrophobicContact CB-CB 4.34Å |
| 1094 | G | 87.4 | Confident | 91.3 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | trans | 75.8 | -153 | -166.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | G1088 V1090 E1091 W1096 | G1088-G1094 WeakPolarHBondContact CA-O 3.42Å; V1090-G1094 PolarHBondContact O-N 3.35Å; E1091-G1094 PolarHBondContact O-N 3.38Å; G1094-W1096 PolarHBondContact O-N 2.69Å | ||
| 1095 | Y | 92.2 | Very high | 91.3 | Very high | 69 Ų | 69 | 35.5 Ų | 35.5 | 27% | 0.271 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -56.2 | 130.4 | -180 | -179 | -92.6 | 0 | 0 | 0 | 112 | D968 R1097 G1238 F1239 | D968-Y1095 WeakPolarHBondContact OD2-CE2 3.49Å; D968-Y1095 PolarHBondContact OD2-OH 2.72Å; Y1095-R1097 HydrophobicContact CD1-CB 4.23Å; Y1095-R1097 HydrophobicContact CE1-CB 3.9Å; Y1095-R1097 HydrophobicContact CE1-CG 4.49Å; Y1095-G1238 WeakPolarHBondContact O-CA 3.31Å; Y1095-F1239 PolarHBondContact O-N 2.82Å |
| 1096 | W | 93.5 | Very high | 91.3 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 4% | 0.038 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 107.7 | -175.2 | -167.7 | -69.4 | 0 | 0 | 0 | 110.4 | F1080 E1085 Y1086 F1093 G1094 F1239 H1241 | F1080-W1096 AromaticContact CE1-CD1 3.97Å; E1085-W1096 HydrophobicContact CB-CE3 4.29Å; E1085-W1096 HydrophobicContact CB-CZ3 4.31Å; E1085-W1096 WeakPolarHBondContact O-CB 3.28Å; Y1086-W1096 AromaticContact CD1-CD1 3.77Å; Y1086-W1096 AromaticContact CD1-CD2 3.99Å; Y1086-W1096 HydrophobicContact CD1-CD2 3.99Å; Y1086-W1096 AromaticContact CD1-CE2 3.55Å; Y1086-W1096 HydrophobicContact CD1-CG 4.15Å; Y1086-W1096 HydrophobicContact CD1-CZ2 4.05Å; Y1086-W1096 AromaticContact CD1-NE1 3.38Å; Y1086-W1096 HydrophobicContact CE1-CD2 4.12Å; Y1086-W1096 AromaticContact CE1-CE2 3.34Å; Y1086-W1096 HydrophobicContact CE1-CH2 4.09Å; Y1086-W1096 AromaticContact CE1-CZ2 3.34Å; Y1086-W1096 HydrophobicContact CE1-CZ2 3.34Å; Y1086-W1096 AromaticContact CE1-NE1 3.49Å; Y1086-W1096 AromaticContact CZ-CZ2 3.96Å; F1093-W1096 HydrophobicContact CB-CE3 4.06Å; F1093-W1096 HydrophobicContact CB-CZ3 4.2Å; F1093-W1096 AromaticContact CD1-CZ3 3.82Å; F1093-W1096 HydrophobicContact CD1-CZ3 3.82Å; F1093-W1096 HydrophobicContact CD2-CE3 4.36Å; F1093-W1096 AromaticContact CD2-CZ3 3.94Å; F1093-W1096 HydrophobicContact CD2-CZ3 3.94Å; F1093-W1096 HydrophobicContact CE1-CZ3 4.08Å; F1093-W1096 HydrophobicContact CE2-CZ3 4.2Å; F1093-W1096 HydrophobicContact CG-CE3 4.1Å; F1093-W1096 AromaticContact CG-CZ3 3.74Å; F1093-W1096 HydrophobicContact CG-CZ3 3.74Å; F1093-W1096 HydrophobicContact CZ-CZ3 4.26Å; G1094-W1096 PolarHBondContact O-N 2.69Å; W1096-F1239 HydrophobicContact CD2-CD1 4.08Å; W1096-F1239 AromaticContact CE2-CD1 3.88Å; W1096-F1239 HydrophobicContact CE3-CD1 4.02Å; W1096-F1239 AromaticContact CH2-CD1 3.58Å; W1096-F1239 HydrophobicContact CH2-CD1 3.58Å; W1096-F1239 AromaticContact CH2-CE1 3.63Å; W1096-F1239 HydrophobicContact CH2-CE1 3.63Å; W1096-F1239 AromaticContact CZ2-CD1 3.63Å; W1096-F1239 HydrophobicContact CZ2-CD1 3.63Å; W1096-F1239 AromaticContact CZ2-CE1 3.66Å; W1096-F1239 HydrophobicContact CZ2-CE1 3.66Å; W1096-F1239 AromaticContact CZ3-CD1 3.79Å; W1096-F1239 HydrophobicContact CZ3-CD1 3.79Å; W1096-F1239 HydrophobicContact CZ3-CE1 4.27Å; W1096-H1241 AromaticContact CE2-CG 3.77Å; W1096-H1241 AromaticContact CE2-ND1 3.79Å; W1096-H1241 HydrophobicContact CZ2-CB 3.79Å; W1096-H1241 AromaticContact CZ2-CD2 3.77Å; W1096-H1241 AromaticContact CZ2-CE1 3.88Å; W1096-H1241 AromaticContact CZ2-CG 3.49Å; W1096-H1241 VanDerWaalsContact CZ2-CG 3.49Å; W1096-H1241 AromaticContact CZ2-ND1 3.59Å; W1096-H1241 AromaticContact NE1-CG 3.53Å; W1096-H1241 AromaticContact NE1-ND1 3.39Å; W1096-H1241 PolarHBondContact NE1-ND1 2.96Å |
| 1097 | R | 94.9 | Very high | 91.2 | Very high | 7 Ų | 7 | 37 Ų | 37 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 111.6 | -174.4 | -178.8 | 65.5 | -172.9 | 84.3 | 24.6 | 111 | T967 Y1095 N1099 Y1235 F1239 I1240 H1241 A1242 D1290 | T967-R1097 VanDerWaalsContact CA-NH1 3.32Å; T967-R1097 PolarHBondContact O-NH1 3.46Å; Y1095-R1097 HydrophobicContact CD1-CB 4.23Å; Y1095-R1097 HydrophobicContact CE1-CB 3.9Å; Y1095-R1097 HydrophobicContact CE1-CG 4.49Å; R1097-N1099 VanDerWaalsContact CZ-OD1 3.27Å; R1097-N1099 PolarHBondContact NH1-OD1 2.9Å; R1097-N1099 PolarHBondContact NH2-OD1 2.83Å; R1097-Y1235 HydrophobicContact CB-CE1 3.95Å; R1097-Y1235 HydrophobicContact CG-CE2 4.43Å; R1097-F1239 PolarHBondContact N-O 3.49Å; R1097-I1240 HydrophobicContact CB-CG1 4.33Å; R1097-I1240 HydrophobicContact CG-CG1 4.17Å; R1097-H1241 PolarHBondContact O-N 3.28Å; R1097-A1242 PolarHBondContact O-N 2.71Å; R1097-D1290 VanDerWaalsContact CD-OD1 3.27Å; R1097-D1290 WeakPolarHBondContact CD-OD1 3.35Å; R1097-D1290 WeakPolarHBondContact CG-OD1 3.38Å; R1097-D1290 IonicContact CZ-OD2 2.69Å; R1097-D1290 IonicContact NE-OD1 3.54Å; R1097-D1290 PolarHBondContact NE-OD1 3.23Å; R1097-D1290 IonicContact NE-OD2 3.05Å; R1097-D1290 PolarHBondContact NE-OD2 2.87Å; R1097-D1290 IonicContact NH2-OD2 2.67Å; R1097-D1290 PolarHBondContact NH2-OD2 3.5Å |
| 1098 | D | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -143.5 | 159.4 | -179.8 | -149.1 | -24.1 | 0 | 0 | 0 | 111.7 | T967 G1079 F1080 H1241 A1242 K1243 | T967-D1098 CarbonylContact C-O 3.45Å; T967-D1098 WeakPolarHBondContact CA-O 3.46Å; G1079-D1098 WeakPolarHBondContact CA-OD1 3.2Å; G1079-D1098 VanDerWaalsContact CA-OD2 3.26Å; G1079-D1098 WeakPolarHBondContact CA-OD2 3.44Å; F1080-D1098 HydrophobicContact CD1-CB 3.64Å; F1080-D1098 HydrophobicContact CD2-CB 4.23Å; F1080-D1098 HydrophobicContact CE1-CB 3.48Å; F1080-D1098 VanDerWaalsContact CE1-CB 3.48Å; F1080-D1098 HydrophobicContact CE2-CB 4.06Å; F1080-D1098 WeakPolarHBondContact CE2-O 3.46Å; F1080-D1098 HydrophobicContact CG-CB 3.99Å; F1080-D1098 HydrophobicContact CZ-CB 3.68Å; F1080-D1098 WeakPolarHBondContact CZ-O 3.35Å; F1080-D1098 PolarHBondContact N-OD2 3.42Å; D1098-H1241 HydrophobicContact CB-CB 4.41Å; D1098-H1241 IonicContact OD2-CE1 2.65Å; D1098-H1241 IonicContact OD2-CG 3.1Å; D1098-H1241 IonicContact OD2-ND1 3.66Å; D1098-H1241 PolarHBondContact OD2-ND1 2.7Å; D1098-A1242 VanDerWaalsContact OD1-CA 3.27Å; D1098-A1242 WeakPolarHBondContact OD1-CA 3.4Å; D1098-A1242 PolarHBondContact OD1-N 3.42Å; D1098-K1243 IonicContact OD2-NZ 2.81Å | ||
| 1099 | N | 97.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | trans | -109.8 | 130.5 | 179.3 | -64.2 | -28 | 0 | 0 | 0 | 109.5 | L965 G1079 R1097 Q1177 A1242 T1244 V1254 | L965-N1099 HydrophobicContact CD1-CB 4.16Å; G1079-N1099 PolarHBondContact N-O 3.02Å; R1097-N1099 VanDerWaalsContact CZ-OD1 3.27Å; R1097-N1099 PolarHBondContact NH1-OD1 2.9Å; R1097-N1099 PolarHBondContact NH2-OD1 2.83Å; N1099-Q1177 PolarHBondContact ND2-OE1 2.9Å; N1099-A1242 HydrophobicContact CB-CB 4.49Å; N1099-T1244 PolarHBondContact ND2-OG1 2.88Å; N1099-V1254 HydrophobicContact CB-CG1 3.83Å | ||
| 1100 | H | 97.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 138.7 | -179.6 | -158.6 | 113.7 | 0 | 0 | 0 | 110.8 | Y966 K972 T1077 G1078 F1080 | Y966-H1100 PolarHBondContact N-O 3.49Å; Y966-H1100 PolarHBondContact O-N 2.74Å; K972-H1100 WeakPolarHBondContact CE-NE2 3.48Å; K972-H1100 HydrophobicContact CG-CB 4.26Å; T1077-H1100 PolarHBondContact O-CD2 3.42Å; G1078-H1100 WeakPolarHBondContact CA-ND1 3.47Å; F1080-H1100 HydrophobicContact CD2-CB 3.6Å; F1080-H1100 HydrophobicContact CE2-CB 4.27Å |
| 1101 | L | 98 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 138.5 | -171.9 | -52.4 | -173.5 | 0 | 0 | 0 | 110.6 | V963 I964 L965 Y1076 T1077 I1103 V1254 T1272 F1279 | V963-L1101 HydrophobicContact CG1-CB 4.17Å; V963-L1101 HydrophobicContact CG1-CD1 4.19Å; V963-L1101 HydrophobicContact CG1-CD2 4.15Å; V963-L1101 HydrophobicContact CG1-CG 4.4Å; I964-L1101 WeakPolarHBondContact O-CA 3.38Å; L965-L1101 HydrophobicContact CD1-CD2 3.87Å; Y1076-L1101 VanDerWaalsContact CA-O 3.27Å; Y1076-L1101 WeakPolarHBondContact CA-O 3.48Å; T1077-L1101 PolarHBondContact N-O 3.45Å; T1077-L1101 PolarHBondContact O-N 3.14Å; L1101-I1103 HydrophobicContact CB-CD1 4.26Å; L1101-I1103 HydrophobicContact CB-CG1 4.11Å; L1101-I1103 HydrophobicContact CD1-CD1 4.45Å; L1101-V1254 HydrophobicContact CD1-CB 4.29Å; L1101-V1254 HydrophobicContact CD1-CG1 4.47Å; L1101-V1254 HydrophobicContact CD2-CG1 4.21Å; L1101-V1254 HydrophobicContact CG-CB 4.48Å; L1101-V1254 HydrophobicContact CG-CG1 4.14Å; L1101-T1272 HydrophobicContact CD1-CG2 3.97Å; L1101-F1279 HydrophobicContact CD2-CZ 3.73Å |
| 1102 | R | 97.7 | Very high | 92.5 | Very high | 34 Ų | 34 | 21 Ų | 21 | 13% | 0.128 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 135.7 | 156.9 | 177.1 | -170.4 | -172.9 | -80.1 | -2.8 | 107.9 | V963 I964 Y966 D979 I1074 G1075 Y1076 | V963-R1102 CarbonylContact C-O 3.6Å; V963-R1102 WeakPolarHBondContact CA-O 3.41Å; I964-R1102 HydrophobicContact CB-CB 4.38Å; I964-R1102 PolarHBondContact N-O 2.94Å; I964-R1102 PolarHBondContact O-N 3.43Å; Y966-R1102 HydrophobicContact CD2-CB 4.43Å; Y966-R1102 HydrophobicContact CE2-CB 3.74Å; D979-R1102 IonicContact OD1-NH2 2.66Å; D979-R1102 PolarHBondContact OD1-NH2 3.26Å; D979-R1102 IonicContact OD2-CZ 3.25Å; D979-R1102 VanDerWaalsContact OD2-CZ 3.25Å; D979-R1102 IonicContact OD2-NE 3.58Å; D979-R1102 PolarHBondContact OD2-NE 2.79Å; D979-R1102 IonicContact OD2-NH2 2.91Å; D979-R1102 PolarHBondContact OD2-NH2 2.99Å; I1074-R1102 HydrophobicContact CG2-CG 4.25Å; G1075-R1102 CarbonylContact O-C 3.46Å; G1075-R1102 WeakPolarHBondContact O-CA 3.31Å; Y1076-R1102 HydrophobicContact CD1-CB 4.01Å; Y1076-R1102 HydrophobicContact CD1-CG 4.44Å; Y1076-R1102 HydrophobicContact CD2-CG 4.48Å; Y1076-R1102 HydrophobicContact CE1-CB 3.69Å; Y1076-R1102 HydrophobicContact CE1-CG 3.9Å; Y1076-R1102 HydrophobicContact CE2-CG 3.93Å; Y1076-R1102 WeakPolarHBondContact OH-CD 3.24Å; Y1076-R1102 PolarHBondContact OH-NE 3.46Å |
| 1103 | I | 97.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 135 | -171.3 | -55.5 | 177.5 | 0 | 0 | 0 | 109 | E962 V963 I1074 G1075 T1077 L1101 A1107 V1108 M1147 T1272 | E962-I1103 CarbonylContact O-C 3.54Å; E962-I1103 WeakPolarHBondContact O-CA 3.35Å; V963-I1103 HydrophobicContact CG1-CG1 4.21Å; V963-I1103 HydrophobicContact CG2-CG1 4.24Å; V963-I1103 HydrophobicContact CG2-CG2 4.39Å; I1074-I1103 WeakPolarHBondContact CA-O 3.45Å; G1075-I1103 PolarHBondContact N-O 2.99Å; G1075-I1103 PolarHBondContact O-N 2.96Å; T1077-I1103 HydrophobicContact CG2-CD1 4.3Å; L1101-I1103 HydrophobicContact CB-CD1 4.26Å; L1101-I1103 HydrophobicContact CB-CG1 4.11Å; L1101-I1103 HydrophobicContact CD1-CD1 4.45Å; I1103-A1107 HydrophobicContact CG2-CB 4.05Å; I1103-V1108 HydrophobicContact CB-CG2 4.41Å; I1103-V1108 HydrophobicContact CG2-CG2 4.16Å; I1103-M1147 HydrophobicContact CD1-CE 3.25Å; I1103-T1272 HydrophobicContact CD1-CG2 4.44Å |
| 1104 | H | 96 | Very high | 93.1 | Very high | 36 Ų | 36 | 14.9 Ų | 14.9 | 17% | 0.167 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 108 | 174.3 | 172.7 | -115.4 | 0 | 0 | 0 | 108.9 | E962 E1073 E1138 S1139 | E962-H1104 HydrophobicContact CB-CB 4.35Å; E962-H1104 PolarHBondContact N-O 3.33Å; E962-H1104 PolarHBondContact O-N 3.17Å; E962-H1104 IonicContact OE2-ND1 3.59Å; E1073-H1104 PolarHBondContact O-CD2 3.48Å; H1104-E1138 PolarHBondContact CE1-O 2.84Å; H1104-S1139 WeakPolarHBondContact O-CB 3.41Å; H1104-S1139 PolarHBondContact O-OG 2.81Å |
| 1105 | G | 92 | Very high | 93.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.8 | -177.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N960 A1107 V1108 I1137 | N960-G1105 WeakPolarHBondContact O-CA 3.12Å; G1105-A1107 PolarHBondContact O-N 3.39Å; G1105-V1108 WeakPolarHBondContact O-CB 3.23Å; G1105-V1108 VanDerWaalsContact O-CG2 3.3Å; G1105-V1108 WeakPolarHBondContact O-CG2 3.11Å; G1105-V1108 PolarHBondContact O-N 3.44Å; G1105-I1137 WeakPolarHBondContact O-CD1 3.2Å |
| 1106 | H | 89.7 | Confident | 93.2 | Very high | 61 Ų | 61 | 10.9 Ų | 10.9 | 28% | 0.282 | 5% | 0.048 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -20.3 | -169.4 | -70.9 | -154.8 | 0 | 0 | 0 | 114.4 | T958 N960 N961 V1108 Y1109 | T958-H1106 HydrophobicContact CG2-CB 3.82Å; N960-H1106 PolarHBondContact O-N 3.04Å; N961-H1106 PolarHBondContact OD1-N 3.16Å; H1106-V1108 PolarHBondContact O-N 2.69Å; H1106-Y1109 HydrophobicContact CB-CD2 4.13Å; H1106-Y1109 HydrophobicContact CB-CE2 3.83Å; H1106-Y1109 AromaticContact CG-CE2 3.75Å; H1106-Y1109 WeakPolarHBondContact O-CD2 3.49Å; H1106-Y1109 PolarHBondContact O-N 3.17Å |
| 1107 | A | 91 | Very high | 92.7 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N961 I1103 G1105 Y1109 T1110 L1145 M1147 | N961-A1107 WeakPolarHBondContact OD1-CB 3.42Å; N961-A1107 PolarHBondContact OD1-N 3.05Å; I1103-A1107 HydrophobicContact CG2-CB 4.05Å; G1105-A1107 PolarHBondContact O-N 3.39Å; A1107-Y1109 PolarHBondContact O-N 3.13Å; A1107-T1110 WeakPolarHBondContact O-CB 3.18Å; A1107-T1110 PolarHBondContact O-N 3.45Å; A1107-T1110 PolarHBondContact O-OG1 2.8Å; A1107-L1145 HydrophobicContact CB-CD1 3.43Å; A1107-L1145 VanDerWaalsContact CB-CD1 3.43Å; A1107-L1145 HydrophobicContact CB-CD2 4.3Å; A1107-L1145 HydrophobicContact CB-CG 4.11Å; A1107-M1147 HydrophobicContact CB-CE 4.44Å |
| 1108 | V | 93.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.7 | -30.3 | -177.8 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | V1069 G1072 I1103 G1105 H1106 T1110 L1111 Q1112 I1137 | V1069-V1108 HydrophobicContact CG1-CG1 3.76Å; V1069-V1108 HydrophobicContact CG2-CG1 4.15Å; G1072-V1108 VanDerWaalsContact O-CG1 3.27Å; G1072-V1108 WeakPolarHBondContact O-CG1 3.31Å; I1103-V1108 HydrophobicContact CB-CG2 4.41Å; I1103-V1108 HydrophobicContact CG2-CG2 4.16Å; G1105-V1108 WeakPolarHBondContact O-CB 3.23Å; G1105-V1108 VanDerWaalsContact O-CG2 3.3Å; G1105-V1108 WeakPolarHBondContact O-CG2 3.11Å; G1105-V1108 PolarHBondContact O-N 3.44Å; H1106-V1108 PolarHBondContact O-N 2.69Å; V1108-T1110 PolarHBondContact O-N 3Å; V1108-L1111 PolarHBondContact O-N 3.16Å; V1108-L1111 VanDerWaalsContact O-N 3.1Å; V1108-Q1112 WeakPolarHBondContact O-CB 3.19Å; V1108-Q1112 PolarHBondContact O-N 2.94Å; V1108-I1137 HydrophobicContact CB-CD1 4.33Å |
| 1109 | Y | 90.1 | Very high | 92 | Very high | 33 Ų | 33 | 11 Ų | 11 | 13% | 0.129 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -56.3 | -33.4 | 172.4 | -52.2 | -37.2 | 0 | 0 | 0 | 112.8 | H1106 A1107 N1113 F1134 P1135 I1137 | H1106-Y1109 HydrophobicContact CB-CD2 4.13Å; H1106-Y1109 HydrophobicContact CB-CE2 3.83Å; H1106-Y1109 AromaticContact CG-CE2 3.75Å; H1106-Y1109 WeakPolarHBondContact O-CD2 3.49Å; H1106-Y1109 PolarHBondContact O-N 3.17Å; A1107-Y1109 PolarHBondContact O-N 3.13Å; Y1109-N1113 WeakPolarHBondContact O-CB 3.43Å; Y1109-N1113 PolarHBondContact O-N 2.9Å; Y1109-F1134 HydrophobicContact CD1-CB 4.46Å; Y1109-F1134 AromaticContact CD1-CD1 4Å; Y1109-F1134 HydrophobicContact CD1-CD1 4Å; Y1109-F1134 HydrophobicContact CG-CD1 4.28Å; Y1109-P1135 VanDerWaalsContact CE1-O 3.27Å; Y1109-P1135 WeakPolarHBondContact CE1-O 3.48Å; Y1109-P1135 PolarHBondContact OH-O 3.46Å; Y1109-I1137 HydrophobicContact CD1-CD1 4.14Å; Y1109-I1137 HydrophobicContact CE1-CD1 3.45Å; Y1109-I1137 VanDerWaalsContact CE1-CD1 3.45Å; Y1109-I1137 HydrophobicContact CE1-CG1 3.85Å; Y1109-I1137 PolarHBondContact OH-N 3.26Å |
| 1110 | T | 89.3 | Confident | 91.3 | Very high | 17 Ų | 17 | 11.1 Ų | 11.1 | 10% | 0.104 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -75.5 | -36.8 | 179.1 | -37.6 | 0 | 0 | 0 | 0 | 111.6 | M916 A1107 V1108 R1114 M1147 | M916-T1110 HydrophobicContact CE-CG2 4.1Å; M916-T1110 WeakPolarHBondContact CE-OG1 3.46Å; M916-T1110 HydrophobicContact SD-CG2 4.41Å; A1107-T1110 WeakPolarHBondContact O-CB 3.18Å; A1107-T1110 PolarHBondContact O-N 3.45Å; A1107-T1110 PolarHBondContact O-OG1 2.8Å; V1108-T1110 PolarHBondContact O-N 3Å; T1110-R1114 VanDerWaalsContact O-CB 3.27Å; T1110-R1114 WeakPolarHBondContact O-CB 3.46Å; T1110-R1114 PolarHBondContact O-N 2.9Å; T1110-M1147 HydrophobicContact CG2-CB 3.72Å; T1110-M1147 HydrophobicContact CG2-CG 4.47Å |
| 1111 | L | 92.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 11.3 Ų | 11.3 | 1% | 0.01 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66.7 | -40.7 | 172.3 | -66.8 | 179 | 0 | 0 | 0 | 111.2 | I1067 V1069 T1077 V1108 R1114 F1115 M1147 V1270 | I1067-L1111 HydrophobicContact CD1-CD2 4.35Å; I1067-L1111 HydrophobicContact CG1-CD2 4.3Å; I1067-L1111 HydrophobicContact CG2-CB 4.04Å; I1067-L1111 HydrophobicContact CG2-CD2 4.44Å; V1069-L1111 HydrophobicContact CG2-CB 3.87Å; T1077-L1111 HydrophobicContact CG2-CD1 4.15Å; T1077-L1111 HydrophobicContact CG2-CD2 4.21Å; V1108-L1111 PolarHBondContact O-N 3.16Å; V1108-L1111 VanDerWaalsContact O-N 3.1Å; L1111-R1114 PolarHBondContact O-N 2.74Å; L1111-F1115 WeakPolarHBondContact O-CB 2.98Å; L1111-F1115 PolarHBondContact O-N 3.08Å; L1111-M1147 HydrophobicContact CD1-CE 3.87Å; L1111-M1147 HydrophobicContact CD2-CE 4.02Å; L1111-M1147 HydrophobicContact CD2-CG 4.39Å; L1111-M1147 HydrophobicContact CD2-SD 3.9Å; L1111-M1147 HydrophobicContact CG-CE 3.92Å; L1111-M1147 HydrophobicContact CG-CG 4.49Å; L1111-M1147 HydrophobicContact CG-SD 4.33Å; L1111-V1270 HydrophobicContact CD2-CG2 4.37Å |
| 1112 | Q | 92.9 | Very high | 89 | Confident | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.4 | -53.1 | 177.1 | -178.7 | 74.4 | -61.7 | 0 | 0 | 111.4 | H986 H988 V1069 V1108 R1114 F1115 L1116 Y1133 F1134 | H986-Q1112 PolarHBondContact NE2-NE2 3.26Å; H988-Q1112 PolarHBondContact ND1-OE1 3.13Å; V1069-Q1112 HydrophobicContact CG1-CB 4.29Å; V1069-Q1112 HydrophobicContact CG2-CB 4.29Å; V1108-Q1112 WeakPolarHBondContact O-CB 3.19Å; V1108-Q1112 PolarHBondContact O-N 2.94Å; Q1112-R1114 VanDerWaalsContact C-N 3.3Å; Q1112-R1114 PolarHBondContact O-N 3.1Å; Q1112-F1115 PolarHBondContact O-N 2.85Å; Q1112-L1116 HydrophobicContact CG-CD1 4.2Å; Q1112-L1116 VanDerWaalsContact O-CG 3.29Å; Q1112-L1116 WeakPolarHBondContact O-CG 3.48Å; Q1112-L1116 PolarHBondContact O-N 3.08Å; Q1112-Y1133 WeakPolarHBondContact CG-O 3.04Å; Q1112-Y1133 PolarHBondContact NE2-O 2.81Å; Q1112-F1134 HydrophobicContact CB-CE1 4.1Å; Q1112-F1134 HydrophobicContact CB-CZ 4.44Å; Q1112-F1134 HydrophobicContact CG-CD1 4.34Å; Q1112-F1134 HydrophobicContact CG-CE1 3.86Å; Q1112-F1134 HydrophobicContact CG-CE2 4.29Å; Q1112-F1134 HydrophobicContact CG-CZ 3.83Å |
| 1113 | N | 88.3 | Confident | 87.5 | Confident | 5 Ų | 5 | 13.4 Ų | 13.4 | 3% | 0.027 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 177 | 178.1 | 37.9 | 0 | 0 | 0 | 111.6 | I914 M916 Y1109 L1116 M1117 F1134 | I914-N1113 WeakPolarHBondContact CB-OD1 3.15Å; I914-N1113 PolarHBondContact N-OD1 3.13Å; M916-N1113 HydrophobicContact CG-CB 4.32Å; M916-N1113 HydrophobicContact SD-CB 3.67Å; M916-N1113 PolarHBondContact SD-ND2 2.84Å; M916-N1113 VanDerWaalsContact SD-ND2 3.37Å; Y1109-N1113 WeakPolarHBondContact O-CB 3.43Å; Y1109-N1113 PolarHBondContact O-N 2.9Å; N1113-L1116 PolarHBondContact O-N 3.36Å; N1113-M1117 WeakPolarHBondContact O-CG 3.13Å; N1113-M1117 PolarHBondContact O-N 2.94Å; N1113-F1134 HydrophobicContact CB-CE1 4.3Å; N1113-F1134 HydrophobicContact CB-CZ 4.27Å |
| 1114 | R | 88.6 | Confident | 85.7 | Confident | 21 Ų | 21 | 20 Ų | 20 | 8% | 0.079 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.8 | -45.4 | 176.4 | 175.8 | 51.7 | 86 | 176.5 | 7 | 112.4 | R1065 I1067 T1110 L1111 Q1112 L1116 M1117 D1118 S1149 D1153 | R1065-R1114 VanDerWaalsContact NH1-NH1 3.17Å; I1067-R1114 HydrophobicContact CD1-CB 4.4Å; I1067-R1114 HydrophobicContact CD1-CG 3.82Å; T1110-R1114 VanDerWaalsContact O-CB 3.27Å; T1110-R1114 WeakPolarHBondContact O-CB 3.46Å; T1110-R1114 PolarHBondContact O-N 2.9Å; L1111-R1114 PolarHBondContact O-N 2.74Å; Q1112-R1114 VanDerWaalsContact C-N 3.3Å; Q1112-R1114 PolarHBondContact O-N 3.1Å; R1114-L1116 VanDerWaalsContact C-N 3.33Å; R1114-L1116 PolarHBondContact O-N 2.78Å; R1114-M1117 PolarHBondContact O-N 2.95Å; R1114-D1118 WeakPolarHBondContact CD-OD2 3.44Å; R1114-D1118 IonicContact NH1-OD1 2.74Å; R1114-D1118 PolarHBondContact O-N 3.49Å; R1114-S1149 PolarHBondContact NE-OG 2.87Å; R1114-S1149 PolarHBondContact NH2-OG 3.21Å; R1114-S1149 VanDerWaalsContact NH2-OG 3.07Å; R1114-D1153 IonicContact CZ-OD2 2.72Å; R1114-D1153 VanDerWaalsContact CZ-OD2 3.23Å; R1114-D1153 IonicContact NH1-OD2 2.88Å; R1114-D1153 PolarHBondContact NH1-OD2 3.11Å; R1114-D1153 IonicContact NH2-OD2 3.21Å; R1114-D1153 PolarHBondContact NH2-OD2 2.88Å |
| 1115 | F | 91.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.7 | -43.6 | 172.6 | 174.1 | -87.1 | 0 | 0 | 0 | 112 | H988 M989 E990 R1018 L1020 I1067 L1111 Q1112 M1117 D1118 W1119 | H988-F1115 HydrophobicContact CB-CD1 3.48Å; H988-F1115 VanDerWaalsContact CB-CD1 3.48Å; H988-F1115 HydrophobicContact CB-CD2 4.2Å; H988-F1115 HydrophobicContact CB-CE1 3.46Å; H988-F1115 VanDerWaalsContact CB-CE1 3.46Å; H988-F1115 HydrophobicContact CB-CE2 4.19Å; H988-F1115 HydrophobicContact CB-CG 3.87Å; H988-F1115 HydrophobicContact CB-CZ 3.83Å; H988-F1115 AromaticContact CD2-CE1 3.81Å; H988-F1115 AromaticContact CG-CD1 3.61Å; H988-F1115 AromaticContact CG-CE1 3.43Å; H988-F1115 VanDerWaalsContact CG-CE1 3.43Å; H988-F1115 AromaticContact ND1-CD1 3.72Å; H988-F1115 AromaticContact ND1-CE1 3.87Å; M989-F1115 WeakPolarHBondContact O-CE2 3.05Å; E990-F1115 HydrophobicContact CB-CD2 3.96Å; E990-F1115 HydrophobicContact CB-CE2 4.14Å; R1018-F1115 HydrophobicContact CB-CE1 4.18Å; R1018-F1115 HydrophobicContact CB-CZ 3.82Å; L1020-F1115 HydrophobicContact CB-CE2 4.27Å; I1067-F1115 HydrophobicContact CG2-CB 4.36Å; L1111-F1115 WeakPolarHBondContact O-CB 2.98Å; L1111-F1115 PolarHBondContact O-N 3.08Å; Q1112-F1115 PolarHBondContact O-N 2.85Å; F1115-M1117 VanDerWaalsContact C-N 3.31Å; F1115-M1117 PolarHBondContact O-N 3.31Å; F1115-D1118 PolarHBondContact O-N 3.01Å; F1115-W1119 HydrophobicContact CD1-CB 4.39Å; F1115-W1119 HydrophobicContact CE1-CB 3.95Å; F1115-W1119 HydrophobicContact CE1-CD2 4.32Å; F1115-W1119 HydrophobicContact CE1-CE3 4.28Å; F1115-W1119 HydrophobicContact CE1-CG 4.19Å; F1115-W1119 HydrophobicContact CE2-CE3 4.43Å; F1115-W1119 HydrophobicContact CZ-CB 4.24Å; F1115-W1119 HydrophobicContact CZ-CD2 4.14Å; F1115-W1119 AromaticContact CZ-CE3 3.65Å; F1115-W1119 HydrophobicContact CZ-CE3 3.65Å; F1115-W1119 HydrophobicContact CZ-CG 4.41Å; F1115-W1119 HydrophobicContact CZ-CZ3 4.41Å; F1115-W1119 VanDerWaalsContact O-CB 3.25Å; F1115-W1119 WeakPolarHBondContact O-CB 3.4Å; F1115-W1119 PolarHBondContact O-N 3.49Å |
| 1116 | L | 89.3 | Confident | 83 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.5 | -38.3 | -179.9 | -71.2 | 172.2 | 0 | 0 | 0 | 111.7 | I914 Q1112 N1113 R1114 N1120 L1127 Y1133 F1134 | I914-L1116 HydrophobicContact CD1-CB 4.38Å; I914-L1116 HydrophobicContact CG2-CD1 4.46Å; Q1112-L1116 HydrophobicContact CG-CD1 4.2Å; Q1112-L1116 VanDerWaalsContact O-CG 3.29Å; Q1112-L1116 WeakPolarHBondContact O-CG 3.48Å; Q1112-L1116 PolarHBondContact O-N 3.08Å; N1113-L1116 PolarHBondContact O-N 3.36Å; R1114-L1116 VanDerWaalsContact C-N 3.33Å; R1114-L1116 PolarHBondContact O-N 2.78Å; L1116-N1120 WeakPolarHBondContact O-CB 2.85Å; L1116-N1120 PolarHBondContact O-N 3.4Å; L1116-N1120 PolarHBondContact O-ND2 3.39Å; L1116-N1120 PolarHBondContact O-OD1 3.48Å; L1116-L1127 HydrophobicContact CD2-CB 3.93Å; L1116-L1127 HydrophobicContact CD2-CD1 3.59Å; L1116-L1127 HydrophobicContact CD2-CG 4.44Å; L1116-Y1133 HydrophobicContact CD1-CD2 4.28Å; L1116-Y1133 HydrophobicContact CD2-CD2 4.42Å; L1116-F1134 HydrophobicContact CD1-CE2 3.91Å; L1116-F1134 HydrophobicContact CD1-CZ 3.92Å |
| 1117 | M | 83.5 | Confident | 82.2 | Confident | 17 Ų | 17 | 29.1 Ų | 29.1 | 8% | 0.084 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.6 | -51 | 172.5 | -71.2 | 168.2 | 150.8 | 0 | 0 | 111.9 | L908 Q911 K913 N1113 R1114 F1115 W1119 N1120 S1121 | L908-M1117 HydrophobicContact CD2-CB 4.1Å; Q911-M1117 WeakPolarHBondContact O-CE 3.29Å; K913-M1117 HydrophobicContact CG-CE 3.84Å; N1113-M1117 WeakPolarHBondContact O-CG 3.13Å; N1113-M1117 PolarHBondContact O-N 2.94Å; R1114-M1117 PolarHBondContact O-N 2.95Å; F1115-M1117 VanDerWaalsContact C-N 3.31Å; F1115-M1117 PolarHBondContact O-N 3.31Å; M1117-W1119 VanDerWaalsContact C-N 3.3Å; M1117-W1119 PolarHBondContact O-N 3.03Å; M1117-N1120 PolarHBondContact O-N 2.93Å; M1117-S1121 PolarHBondContact O-N 3.38Å |
| 1118 | D | 87.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.9 | -34.9 | -177.4 | -62.8 | -28.6 | 0 | 0 | 0 | 111.2 | E990 L1020 F1047 R1065 R1114 F1115 S1121 | E990-D1118 WeakPolarHBondContact OE2-CB 3.44Å; L1020-D1118 HydrophobicContact CD2-CB 4.28Å; L1020-D1118 WeakPolarHBondContact CD2-O 3.31Å; F1047-D1118 HydrophobicContact CE2-CB 4.29Å; R1065-D1118 WeakPolarHBondContact CD-OD2 3.49Å; R1065-D1118 IonicContact CZ-OD2 3.59Å; R1065-D1118 IonicContact NE-OD2 3.52Å; R1065-D1118 IonicContact NH1-OD1 2.64Å; R1065-D1118 PolarHBondContact NH1-OD1 3.03Å; R1065-D1118 IonicContact NH1-OD2 3.86Å; R1065-D1118 PolarHBondContact NH1-OD2 3.31Å; R1114-D1118 WeakPolarHBondContact CD-OD2 3.44Å; R1114-D1118 IonicContact NH1-OD1 2.74Å; R1114-D1118 PolarHBondContact O-N 3.49Å; F1115-D1118 PolarHBondContact O-N 3.01Å; D1118-S1121 PolarHBondContact O-OG 3.24Å |
| 1119 | W | 88 | Confident | 80.3 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -51.4 | 169.6 | -174.6 | -95.2 | 0 | 0 | 0 | 113.2 | R1018 L1020 E1043 D1045 F1115 M1117 S1121 Q1122 Q1123 L1127 | R1018-W1119 HydrophobicContact CB-CD2 4.45Å; R1018-W1119 HydrophobicContact CB-CE3 4.16Å; R1018-W1119 HydrophobicContact CB-CH2 3.93Å; R1018-W1119 HydrophobicContact CB-CZ2 4.2Å; R1018-W1119 HydrophobicContact CB-CZ3 3.9Å; R1018-W1119 HydrophobicContact CG-CH2 4.4Å; R1018-W1119 HydrophobicContact CG-CZ2 4.23Å; L1020-W1119 HydrophobicContact CB-CE3 3.98Å; L1020-W1119 HydrophobicContact CB-CZ3 4.14Å; L1020-W1119 HydrophobicContact CD2-CE3 4.3Å; E1043-W1119 HydrophobicContact CB-CH2 3.77Å; E1043-W1119 HydrophobicContact CB-CZ2 3.73Å; E1043-W1119 WeakPolarHBondContact OE2-CZ2 3.34Å; D1045-W1119 HydrophobicContact CB-CH2 4.43Å; D1045-W1119 HydrophobicContact CB-CZ3 4.45Å; F1115-W1119 HydrophobicContact CD1-CB 4.39Å; F1115-W1119 HydrophobicContact CE1-CB 3.95Å; F1115-W1119 HydrophobicContact CE1-CD2 4.32Å; F1115-W1119 HydrophobicContact CE1-CE3 4.28Å; F1115-W1119 HydrophobicContact CE1-CG 4.19Å; F1115-W1119 HydrophobicContact CE2-CE3 4.43Å; F1115-W1119 HydrophobicContact CZ-CB 4.24Å; F1115-W1119 HydrophobicContact CZ-CD2 4.14Å; F1115-W1119 AromaticContact CZ-CE3 3.65Å; F1115-W1119 HydrophobicContact CZ-CE3 3.65Å; F1115-W1119 HydrophobicContact CZ-CG 4.41Å; F1115-W1119 HydrophobicContact CZ-CZ3 4.41Å; F1115-W1119 VanDerWaalsContact O-CB 3.25Å; F1115-W1119 WeakPolarHBondContact O-CB 3.4Å; F1115-W1119 PolarHBondContact O-N 3.49Å; M1117-W1119 VanDerWaalsContact C-N 3.3Å; M1117-W1119 PolarHBondContact O-N 3.03Å; W1119-S1121 PolarHBondContact O-N 3.19Å; W1119-Q1122 PolarHBondContact O-N 2.96Å; W1119-Q1122 VanDerWaalsContact O-N 3.1Å; W1119-Q1123 HydrophobicContact CG-CG 4.42Å; W1119-Q1123 HydrophobicContact CZ2-CG 4.41Å; W1119-Q1123 VanDerWaalsContact NE1-CG 3.34Å; W1119-Q1123 PolarHBondContact O-N 3.17Å; W1119-L1127 HydrophobicContact CG-CD1 4.22Å |
| 1120 | N | 83.2 | Confident | 79.7 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.011 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.1 | -31.9 | -177.8 | -71.4 | -12.2 | 0 | 0 | 0 | 111.9 | L1116 M1117 Q1122 Q1123 E1126 L1127 | L1116-N1120 WeakPolarHBondContact O-CB 2.85Å; L1116-N1120 PolarHBondContact O-N 3.4Å; L1116-N1120 PolarHBondContact O-ND2 3.39Å; L1116-N1120 PolarHBondContact O-OD1 3.48Å; M1117-N1120 PolarHBondContact O-N 2.93Å; N1120-Q1122 PolarHBondContact O-N 3.39Å; N1120-Q1123 PolarHBondContact O-N 2.71Å; N1120-E1126 HydrophobicContact CB-CB 4.31Å; N1120-E1126 HydrophobicContact CB-CG 4.24Å; N1120-L1127 PolarHBondContact ND2-O 2.92Å; N1120-L1127 VanDerWaalsContact ND2-O 3.13Å; N1120-L1127 WeakPolarHBondContact OD1-CB 3.15Å; N1120-L1127 PolarHBondContact OD1-N 2.91Å |
| 1121 | S | 74.3 | Confident | 79 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.6 | -31.2 | 175.7 | 78.4 | 0 | 0 | 0 | 0 | 113.9 | R904 M1117 D1118 W1119 | R904-S1121 PolarHBondContact NH1-O 3.16Å; M1117-S1121 PolarHBondContact O-N 3.38Å; D1118-S1121 PolarHBondContact O-OG 3.24Å; W1119-S1121 PolarHBondContact O-N 3.19Å |
| 1122 | Q | 71.4 | Confident | 78.4 | Confident | 30 Ų | 30 | 49 Ų | 49 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -88.9 | -36.9 | 176 | -48.8 | -51.3 | -60.4 | 0 | 0 | 111.8 | R904 L1020 F1046 F1047 W1119 N1120 | R904-Q1122 PolarHBondContact NH1-O 3.2Å; L1020-Q1122 HydrophobicContact CD1-CG 4.03Å; F1046-Q1122 PolarHBondContact O-OE1 3.37Å; F1047-Q1122 HydrophobicContact CD2-CG 4.28Å; W1119-Q1122 PolarHBondContact O-N 2.96Å; W1119-Q1122 VanDerWaalsContact O-N 3.1Å; N1120-Q1122 PolarHBondContact O-N 3.39Å |
| 1123 | Q | 67.9 | Low | 78.1 | Confident | 48 Ų | 48 | 49.1 Ų | 49.1 | 22% | 0.224 | 24% | 0.241 | C | C | . | . | trans | -70.4 | 160.2 | -174.7 | -68.5 | -47.5 | -39.9 | 0 | 0 | 114.9 | R904 D1045 W1119 N1120 | R904-Q1123 VanDerWaalsContact CZ-O 3.24Å; R904-Q1123 PolarHBondContact NH1-O 3Å; R904-Q1123 PolarHBondContact NH2-O 3.12Å; D1045-Q1123 PolarHBondContact OD2-NE2 3.38Å; W1119-Q1123 HydrophobicContact CG-CG 4.42Å; W1119-Q1123 HydrophobicContact CZ2-CG 4.41Å; W1119-Q1123 VanDerWaalsContact NE1-CG 3.34Å; W1119-Q1123 PolarHBondContact O-N 3.17Å; N1120-Q1123 PolarHBondContact O-N 2.71Å | ||
| 1124 | K | 57.5 | Low | 78 | Confident | 138 Ų | 138 | 50.1 Ų | 50.1 | 60% | 0.6 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -94.8 | -18.7 | 171.2 | -81 | -167.2 | 172.2 | -174 | 0 | 114.8 | ||
| 1125 | H | 62.7 | Low | 78 | Confident | 170 Ų | 170 | 50.7 Ų | 50.7 | 79% | 0.787 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -122.9 | 119.3 | 171.1 | -62.7 | 91.9 | 0 | 0 | 0 | 106.4 | ||
| 1126 | E | 68.7 | Low | 77.5 | Confident | 97 Ų | 97 | 59.5 Ų | 59.5 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | trans | -75.6 | 141.4 | -175 | -58.7 | -174 | 147.9 | 0 | 0 | 111.4 | Q911 N1120 V1128 | Q911-E1126 PolarHBondContact NE2-OE1 2.82Å; N1120-E1126 HydrophobicContact CB-CB 4.31Å; N1120-E1126 HydrophobicContact CB-CG 4.24Å; E1126-V1128 PolarHBondContact O-N 3.01Å | ||
| 1127 | L | 72.9 | Confident | 77.3 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 12% | 0.115 | 30% | 0.295 | C | S | . | . | trans | -72.9 | 94.9 | 165.2 | -62.1 | 178.2 | 0 | 0 | 0 | 108.7 | L1116 W1119 N1120 | L1116-L1127 HydrophobicContact CD2-CB 3.93Å; L1116-L1127 HydrophobicContact CD2-CD1 3.59Å; L1116-L1127 HydrophobicContact CD2-CG 4.44Å; W1119-L1127 HydrophobicContact CG-CD1 4.22Å; N1120-L1127 PolarHBondContact ND2-O 2.92Å; N1120-L1127 VanDerWaalsContact ND2-O 3.13Å; N1120-L1127 WeakPolarHBondContact OD1-CB 3.15Å; N1120-L1127 PolarHBondContact OD1-N 2.91Å | ||
| 1128 | V | 71.5 | Confident | 77 | Confident | 107 Ų | 107 | 68 Ų | 68 | 65% | 0.648 | 33% | 0.332 | S | S | * | . | trans | -65 | 160.4 | 168.7 | -162.6 | 0 | 0 | 0 | 0 | 110 | E1126 Q1130 | E1126-V1128 PolarHBondContact O-N 3.01Å; V1128-Q1130 PolarHBondContact O-N 3.39Å | ||
| 1129 | Y | 73.9 | Confident | 76.7 | Confident | 109 Ų | 109 | 68.9 Ų | 68.9 | 43% | 0.427 | 34% | 0.339 | S | S | . | . | trans | -48.4 | 128.3 | 174.2 | 179.3 | -103 | 0 | 0 | 0 | 112.5 | I914 G915 P1131 F1134 | I914-Y1129 VanDerWaalsContact CG2-CA 3.46Å; I914-Y1129 HydrophobicContact CG2-CD2 4.07Å; I914-Y1129 HydrophobicContact CG2-CG 4.35Å; G915-Y1129 VanDerWaalsContact CA-CD2 3.4Å; G915-Y1129 VanDerWaalsContact CA-CE2 3.46Å; Y1129-P1131 HydrophobicContact CE1-CG 4.03Å; Y1129-F1134 AromaticContact CD2-CD2 3.68Å; Y1129-F1134 HydrophobicContact CD2-CD2 3.68Å; Y1129-F1134 AromaticContact CD2-CE2 3.76Å; Y1129-F1134 HydrophobicContact CD2-CE2 3.76Å; Y1129-F1134 HydrophobicContact CE2-CB 4.17Å; Y1129-F1134 AromaticContact CE2-CD2 3.42Å; Y1129-F1134 HydrophobicContact CE2-CD2 3.42Å; Y1129-F1134 VanDerWaalsContact CE2-CD2 3.42Å; Y1129-F1134 AromaticContact CE2-CE2 3.98Å; Y1129-F1134 HydrophobicContact CE2-CE2 3.98Å; Y1129-F1134 AromaticContact CE2-CG 3.93Å; Y1129-F1134 HydrophobicContact CE2-CG 3.93Å | ||
| 1130 | Q | 77.3 | Confident | 76.2 | Confident | 66 Ų | 66 | 77.7 Ų | 77.7 | 31% | 0.308 | 38% | 0.38 | S | S | . | . | trans | -129.8 | 129.8 | 169.7 | -63.8 | 174.9 | 17.8 | 0 | 0 | 107.1 | V1128 D1132 Y1133 | V1128-Q1130 PolarHBondContact O-N 3.39Å; Q1130-D1132 PolarHBondContact O-N 2.79Å; Q1130-Y1133 HydrophobicContact CB-CD2 3.75Å; Q1130-Y1133 HydrophobicContact CB-CE2 3.86Å; Q1130-Y1133 HydrophobicContact CB-CG 4.38Å; Q1130-Y1133 HydrophobicContact CG-CD2 4.31Å; Q1130-Y1133 HydrophobicContact CG-CE2 3.97Å; Q1130-Y1133 PolarHBondContact O-N 2.66Å; Q1130-Y1133 PolarHBondContact OE1-OH 3.28Å | ||
| 1131 | P | 74.8 | Confident | 76.1 | Confident | 81 Ų | 81 | 78.5 Ų | 78.5 | 53% | 0.526 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -53.4 | -35 | 177.1 | -27.6 | 35.7 | 0 | 0 | 0 | 113 | Y1129 Y1133 F1134 | Y1129-P1131 HydrophobicContact CE1-CG 4.03Å; P1131-Y1133 PolarHBondContact O-N 3.08Å; P1131-Y1133 VanDerWaalsContact O-N 3.07Å; P1131-F1134 CarbonylContact O-C 3.59Å; P1131-F1134 WeakPolarHBondContact O-CA 3.26Å; P1131-F1134 PolarHBondContact O-N 2.96Å |
| 1132 | D | 80.5 | Confident | 76.5 | Confident | 107 Ų | 107 | 87.1 Ų | 87.1 | 57% | 0.572 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -55.4 | -22.7 | 175.7 | -52.7 | 11.3 | 0 | 0 | 0 | 114 | H986 Q1130 | H986-D1132 PolarHBondContact CE1-O 3.03Å; Q1130-D1132 PolarHBondContact O-N 2.79Å |
| 1133 | Y | 86.5 | Confident | 77.4 | Confident | 4 Ų | 4 | 87.1 Ų | 87.1 | 2% | 0.016 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -88.7 | -14.7 | 174.9 | -61.9 | -35.6 | 0 | 0 | 0 | 113.3 | H986 H988 R1018 Q1112 L1116 Q1130 P1131 P1135 | H986-Y1133 VanDerWaalsContact CE1-CA 3.45Å; H986-Y1133 WeakPolarHBondContact CE1-CA 3.49Å; H986-Y1133 AromaticContact ND1-CD1 3.89Å; H988-Y1133 AromaticContact CE1-CD1 3.77Å; H988-Y1133 AromaticContact CE1-CE1 3.75Å; H988-Y1133 AromaticContact NE2-CE1 3.96Å; R1018-Y1133 PolarHBondContact NH1-OH 3.01Å; Q1112-Y1133 WeakPolarHBondContact CG-O 3.04Å; Q1112-Y1133 PolarHBondContact NE2-O 2.81Å; L1116-Y1133 HydrophobicContact CD1-CD2 4.28Å; L1116-Y1133 HydrophobicContact CD2-CD2 4.42Å; Q1130-Y1133 HydrophobicContact CB-CD2 3.75Å; Q1130-Y1133 HydrophobicContact CB-CE2 3.86Å; Q1130-Y1133 HydrophobicContact CB-CG 4.38Å; Q1130-Y1133 HydrophobicContact CG-CD2 4.31Å; Q1130-Y1133 HydrophobicContact CG-CE2 3.97Å; Q1130-Y1133 PolarHBondContact O-N 2.66Å; Q1130-Y1133 PolarHBondContact OE1-OH 3.28Å; P1131-Y1133 PolarHBondContact O-N 3.08Å; P1131-Y1133 VanDerWaalsContact O-N 3.07Å; Y1133-P1135 VanDerWaalsContact C-CD 3.49Å |
| 1134 | F | 86.9 | Confident | 78.6 | Confident | 25 Ų | 25 | 85.1 Ų | 85.1 | 11% | 0.11 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -132.3 | 61.8 | -176.3 | -59.8 | -92.1 | 0 | 0 | 0 | 110.2 | I914 Y1109 Q1112 N1113 L1116 Y1129 P1131 | I914-F1134 HydrophobicContact CG2-CE2 4.23Å; I914-F1134 HydrophobicContact CG2-CZ 4.45Å; I914-F1134 VanDerWaalsContact O-CZ 3.31Å; I914-F1134 WeakPolarHBondContact O-CZ 3.14Å; Y1109-F1134 HydrophobicContact CD1-CB 4.46Å; Y1109-F1134 AromaticContact CD1-CD1 4Å; Y1109-F1134 HydrophobicContact CD1-CD1 4Å; Y1109-F1134 HydrophobicContact CG-CD1 4.28Å; Q1112-F1134 HydrophobicContact CB-CE1 4.1Å; Q1112-F1134 HydrophobicContact CB-CZ 4.44Å; Q1112-F1134 HydrophobicContact CG-CD1 4.34Å; Q1112-F1134 HydrophobicContact CG-CE1 3.86Å; Q1112-F1134 HydrophobicContact CG-CE2 4.29Å; Q1112-F1134 HydrophobicContact CG-CZ 3.83Å; N1113-F1134 HydrophobicContact CB-CE1 4.3Å; N1113-F1134 HydrophobicContact CB-CZ 4.27Å; L1116-F1134 HydrophobicContact CD1-CE2 3.91Å; L1116-F1134 HydrophobicContact CD1-CZ 3.92Å; Y1129-F1134 AromaticContact CD2-CD2 3.68Å; Y1129-F1134 HydrophobicContact CD2-CD2 3.68Å; Y1129-F1134 AromaticContact CD2-CE2 3.76Å; Y1129-F1134 HydrophobicContact CD2-CE2 3.76Å; Y1129-F1134 HydrophobicContact CE2-CB 4.17Å; Y1129-F1134 AromaticContact CE2-CD2 3.42Å; Y1129-F1134 HydrophobicContact CE2-CD2 3.42Å; Y1129-F1134 VanDerWaalsContact CE2-CD2 3.42Å; Y1129-F1134 AromaticContact CE2-CE2 3.98Å; Y1129-F1134 HydrophobicContact CE2-CE2 3.98Å; Y1129-F1134 AromaticContact CE2-CG 3.93Å; Y1129-F1134 HydrophobicContact CE2-CG 3.93Å; P1131-F1134 CarbonylContact O-C 3.59Å; P1131-F1134 WeakPolarHBondContact O-CA 3.26Å; P1131-F1134 PolarHBondContact O-N 2.96Å |
| 1135 | P | 87.3 | Confident | 80.3 | Confident | 33 Ų | 33 | 78.5 Ų | 78.5 | 21% | 0.214 | 39% | 0.389 | C | S | . | . | trans | -66.3 | 161.3 | 178 | 32.2 | -38 | 0 | 0 | 0 | 111.4 | E1073 Y1109 Y1133 I1137 | E1073-P1135 HydrophobicContact CG-CG 4.06Å; Y1109-P1135 VanDerWaalsContact CE1-O 3.27Å; Y1109-P1135 WeakPolarHBondContact CE1-O 3.48Å; Y1109-P1135 PolarHBondContact OH-O 3.46Å; Y1133-P1135 VanDerWaalsContact C-CD 3.49Å; P1135-I1137 PolarHBondContact O-N 3.36Å | ||
| 1136 | E | 82.1 | Confident | 81.8 | Confident | 185 Ų | 185 | 70.4 Ų | 70.4 | 86% | 0.864 | 35% | 0.352 | S | S | * | . | trans | -75.7 | 113.9 | 173.6 | -171.6 | 165.8 | -159.6 | 0 | 0 | 110.2 | ||||
| 1137 | I | 85.2 | Confident | 82.9 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | trans | -93.5 | 105.7 | -171.6 | -51.3 | 169.9 | 0 | 0 | 0 | 111.6 | G1072 G1105 V1108 Y1109 P1135 S1139 | G1072-I1137 WeakPolarHBondContact O-CD1 3.14Å; G1105-I1137 WeakPolarHBondContact O-CD1 3.2Å; V1108-I1137 HydrophobicContact CB-CD1 4.33Å; Y1109-I1137 HydrophobicContact CD1-CD1 4.14Å; Y1109-I1137 HydrophobicContact CE1-CD1 3.45Å; Y1109-I1137 VanDerWaalsContact CE1-CD1 3.45Å; Y1109-I1137 HydrophobicContact CE1-CG1 3.85Å; Y1109-I1137 PolarHBondContact OH-N 3.26Å; P1135-I1137 PolarHBondContact O-N 3.36Å; I1137-S1139 PolarHBondContact O-N 3.11Å | ||
| 1138 | E | 77.6 | Confident | 83.7 | Confident | 187 Ų | 187 | 65.3 Ų | 65.3 | 87% | 0.874 | 33% | 0.328 | S | S | * | . | trans | -73.8 | 86.7 | 170.3 | -66.6 | -169.9 | 163.6 | 0 | 0 | 111.5 | H1104 | H1104-E1138 PolarHBondContact CE1-O 2.84Š| ||
| 1139 | S | 79.9 | Confident | 84.4 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | trans | -107.4 | 126 | 174.8 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | H1104 I1137 G1141 | H1104-S1139 WeakPolarHBondContact O-CB 3.41Å; H1104-S1139 PolarHBondContact O-OG 2.81Å; I1137-S1139 PolarHBondContact O-N 3.11Å; S1139-G1141 PolarHBondContact O-N 3.37Å; S1139-G1141 PolarHBondContact OG-N 2.72Å | ||
| 1140 | E | 78.9 | Confident | 84.7 | Confident | 189 Ų | 189 | 56.3 Ų | 56.3 | 88% | 0.883 | 29% | 0.285 | S | S | * | . | trans | -75.1 | -12.6 | 172.2 | -63.6 | -166.3 | 168.6 | 0 | 0 | 113.2 | ||||
| 1141 | G | 79.7 | Confident | 84.6 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 19% | 0.186 | 27% | 0.274 | C | S | . | . | trans | -69.1 | 150.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | N960 N961 S1139 | N960-G1141 CarbonylContact C-O 3.58Å; N960-G1141 VanDerWaalsContact CA-O 3.31Å; N960-G1141 WeakPolarHBondContact CA-O 3.46Å; N961-G1141 PolarHBondContact N-O 2.66Å; N961-G1141 VanDerWaalsContact N-O 3.16Å; N961-G1141 CarbonylContact O-C 3.44Å; N961-G1141 VanDerWaalsContact O-CA 3.29Å; N961-G1141 WeakPolarHBondContact O-CA 2.91Å; S1139-G1141 PolarHBondContact O-N 3.37Å; S1139-G1141 PolarHBondContact OG-N 2.72Å | ||
| 1142 | K | 84.1 | Confident | 84.2 | Confident | 186 Ų | 186 | 51.2 Ų | 51.2 | 81% | 0.809 | 26% | 0.26 | S | S | * | . | trans | -124.3 | 11.1 | -168.2 | -65.8 | 166.9 | -170 | 161.4 | 0 | 114 | T959 N961 A1144 | T959-K1142 CarbonylContact O-C 3.18Å; T959-K1142 WeakPolarHBondContact O-CA 3.45Å; N961-K1142 PolarHBondContact O-N 2.87Å; N961-K1142 VanDerWaalsContact O-N 3.09Å; K1142-A1144 PolarHBondContact O-N 3.28Å | ||
| 1143 | L | 90.6 | Very high | 83.6 | Confident | 29 Ų | 29 | 47 Ų | 47 | 15% | 0.152 | 24% | 0.237 | C | C | . | . | trans | -75 | 120.1 | -175.6 | -72.1 | 166.5 | 0 | 0 | 0 | 111.1 | T959 N961 V963 D1276 F1279 | T959-L1143 PolarHBondContact O-N 3.04Å; N961-L1143 PolarHBondContact ND2-O 3.22Å; N961-L1143 WeakPolarHBondContact O-CB 3.07Å; N961-L1143 PolarHBondContact O-N 3.35Å; V963-L1143 HydrophobicContact CB-CD1 3.63Å; V963-L1143 HydrophobicContact CG2-CB 4.32Å; V963-L1143 HydrophobicContact CG2-CD1 3.75Å; L1143-D1276 HydrophobicContact CD2-CB 3.56Å; L1143-F1279 HydrophobicContact CD2-CB 4.02Å | ||
| 1144 | A | 92.1 | Very high | 82.6 | Confident | 6 Ų | 6 | 48 Ų | 48 | 5% | 0.05 | 24% | 0.244 | C | C | . | . | trans | -76 | 121.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P935 Y957 T958 T959 K1142 Y1275 | P935-A1144 HydrophobicContact CB-CB 3.65Å; Y957-A1144 HydrophobicContact CE2-CB 4.22Å; Y957-A1144 WeakPolarHBondContact OH-CB 3.42Å; T958-A1144 CarbonylContact O-C 3Å; T958-A1144 VanDerWaalsContact O-CA 3.26Å; T958-A1144 WeakPolarHBondContact O-CA 3.08Å; T959-A1144 HydrophobicContact CG2-CB 4.35Å; K1142-A1144 PolarHBondContact O-N 3.28Å; A1144-Y1275 PolarHBondContact O-N 2.96Å | ||
| 1145 | L | 94.1 | Very high | 81.5 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 161.2 | 178.5 | 77.2 | 81 | 0 | 0 | 0 | 113.9 | T958 N961 V963 A1107 M1147 T1272 I1273 V1274 | T958-L1145 PolarHBondContact N-O 2.89Å; T958-L1145 PolarHBondContact O-N 2.86Å; T958-L1145 PolarHBondContact OG1-O 2.88Å; N961-L1145 HydrophobicContact CB-CD2 4.17Å; V963-L1145 HydrophobicContact CG2-CD2 3.7Å; A1107-L1145 HydrophobicContact CB-CD1 3.43Å; A1107-L1145 VanDerWaalsContact CB-CD1 3.43Å; A1107-L1145 HydrophobicContact CB-CD2 4.3Å; A1107-L1145 HydrophobicContact CB-CG 4.11Å; L1145-M1147 HydrophobicContact CD1-CE 4.22Å; L1145-M1147 HydrophobicContact CD1-CG 4.45Å; L1145-T1272 HydrophobicContact CB-CG2 4.34Å; L1145-T1272 HydrophobicContact CD1-CG2 3.81Å; L1145-T1272 HydrophobicContact CD2-CG2 4.09Å; L1145-T1272 HydrophobicContact CG-CG2 4.31Å; L1145-I1273 CarbonylContact C-O 3.43Å; L1145-I1273 WeakPolarHBondContact CA-O 3.45Å; L1145-I1273 VanDerWaalsContact CB-O 3.31Å; L1145-I1273 WeakPolarHBondContact CB-O 3.43Å; L1145-V1274 HydrophobicContact CB-CB 4.44Å; L1145-V1274 HydrophobicContact CB-CG2 4.12Å; L1145-V1274 HydrophobicContact CD2-CG2 4.5Å |
| 1146 | Q | 93.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148.8 | 170.8 | -82.5 | 175.2 | -66.4 | 0 | 0 | 111.1 | T950 S955 Y957 I1273 Y1275 | T950-Q1146 PolarHBondContact OG1-NE2 3.11Å; S955-Q1146 PolarHBondContact O-NE2 3.31Å; Y957-Q1146 HydrophobicContact CD2-CG 4.16Å; Q1146-I1273 PolarHBondContact N-O 2.98Å; Q1146-I1273 PolarHBondContact O-N 2.87Å; Q1146-Y1275 HydrophobicContact CB-CE2 4.17Å; Q1146-Y1275 HydrophobicContact CG-CE2 4.11Å; Q1146-Y1275 PolarHBondContact OE1-OH 2.73Å |
| 1147 | M | 91.7 | Very high | 80.9 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 3% | 0.034 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 118.1 | 171.5 | -71.1 | -66 | 179.6 | 0 | 0 | 109.5 | S955 T1077 I1103 A1107 T1110 L1111 L1145 T1272 | S955-M1147 PolarHBondContact OG-O 3.4Å; T1077-M1147 HydrophobicContact CG2-CE 3.95Å; T1077-M1147 HydrophobicContact CG2-SD 4.39Å; I1103-M1147 HydrophobicContact CD1-CE 3.25Å; A1107-M1147 HydrophobicContact CB-CE 4.44Å; T1110-M1147 HydrophobicContact CG2-CB 3.72Å; T1110-M1147 HydrophobicContact CG2-CG 4.47Å; L1111-M1147 HydrophobicContact CD1-CE 3.87Å; L1111-M1147 HydrophobicContact CD2-CE 4.02Å; L1111-M1147 HydrophobicContact CD2-CG 4.39Å; L1111-M1147 HydrophobicContact CD2-SD 3.9Å; L1111-M1147 HydrophobicContact CG-CE 3.92Å; L1111-M1147 HydrophobicContact CG-CG 4.49Å; L1111-M1147 HydrophobicContact CG-SD 4.33Å; L1145-M1147 HydrophobicContact CD1-CE 4.22Å; L1145-M1147 HydrophobicContact CD1-CG 4.45Å; M1147-T1272 HydrophobicContact CE-CG2 3.81Å; M1147-T1272 VanDerWaalsContact CE-OG1 3.3Å; M1147-T1272 WeakPolarHBondContact CE-OG1 3.4Å; M1147-T1272 HydrophobicContact SD-CG2 3.98Å; M1147-T1272 PolarHBondContact SD-OG1 2.91Å |
| 1148 | V | 89.9 | Confident | 80.8 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123.3 | 175.2 | -176.1 | 0 | 0 | 0 | 0 | 107.5 | L949 Q1158 I1159 N1271 I1273 | L949-V1148 HydrophobicContact CD1-CG2 3.56Å; L949-V1148 HydrophobicContact CD2-CG1 4.32Å; L949-V1148 HydrophobicContact CD2-CG2 3.66Å; L949-V1148 HydrophobicContact CG-CG2 4.21Å; V1148-Q1158 HydrophobicContact CG1-CB 3.92Å; V1148-I1159 HydrophobicContact CG1-CG1 4Å; V1148-N1271 PolarHBondContact N-O 3.36Å; V1148-N1271 PolarHBondContact O-N 2.96Å; V1148-N1271 VanDerWaalsContact O-O 3.08Å; V1148-I1273 HydrophobicContact CB-CG1 4.47Å; V1148-I1273 HydrophobicContact CG2-CG1 3.67Å |
| 1149 | S | 85.2 | Confident | 81.3 | Confident | 26 Ų | 26 | 36.8 Ų | 36.8 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.7 | 174.4 | 53.5 | 0 | 0 | 0 | 0 | 108.9 | R1114 E1269 | R1114-S1149 PolarHBondContact NE-OG 2.87Å; R1114-S1149 PolarHBondContact NH2-OG 3.21Å; R1114-S1149 VanDerWaalsContact NH2-OG 3.07Å; S1149-E1269 VanDerWaalsContact CA-O 3.3Å; S1149-E1269 WeakPolarHBondContact CA-O 3.21Å; S1149-E1269 WeakPolarHBondContact CB-O 3.34Å |
| 1150 | S | 81.4 | Confident | 81.9 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 161 | -173.4 | -163.8 | 0 | 0 | 0 | 0 | 108.7 | R1065 Q1158 F1268 E1269 | R1065-S1150 PolarHBondContact NH2-O 2.8Å; S1150-Q1158 PolarHBondContact OG-N 3.45Å; S1150-F1268 WeakPolarHBondContact O-CA 3.15Å; S1150-E1269 PolarHBondContact N-O 3.02Å; S1150-E1269 PolarHBondContact O-N 3.27Å |
| 1151 | G | 75.2 | Confident | 82.5 | Confident | 7 Ų | 7 | 31.2 Ų | 31.2 | 7% | 0.072 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 160.5 | -178.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D1153 S1154 | G1151-D1153 VanDerWaalsContact C-OD1 3.28Å; G1151-D1153 VanDerWaalsContact CA-OD1 3.32Å; G1151-D1153 WeakPolarHBondContact CA-OD1 3.31Å; G1151-D1153 PolarHBondContact O-N 3.06Å; G1151-S1154 PolarHBondContact N-OG 3.28Å; G1151-S1154 WeakPolarHBondContact O-CB 3.32Å; G1151-S1154 PolarHBondContact O-N 3.22Å; G1151-S1154 PolarHBondContact O-OG 3.22Å |
| 1152 | P | 66.4 | Low | 83.2 | Confident | 34 Ų | 34 | 30.4 Ų | 30.4 | 22% | 0.221 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -12 | 175.5 | -23.4 | 33.3 | 0 | 0 | 0 | 115.4 | Y1061 L1266 F1268 | Y1061-P1152 HydrophobicContact CD1-CB 4.25Å; Y1061-P1152 HydrophobicContact CD1-CG 3.41Å; Y1061-P1152 VanDerWaalsContact CD1-CG 3.41Å; Y1061-P1152 HydrophobicContact CE1-CB 4Å; Y1061-P1152 HydrophobicContact CE1-CG 3.55Å; Y1061-P1152 HydrophobicContact CG-CG 4.23Å; P1152-L1266 WeakPolarHBondContact CD-O 3.29Å; P1152-L1266 WeakPolarHBondContact CG-O 3.47Å; P1152-F1268 HydrophobicContact CB-CE2 4.35Å; P1152-F1268 HydrophobicContact CB-CZ 4.14Å; P1152-F1268 HydrophobicContact CG-CD2 4.28Å; P1152-F1268 HydrophobicContact CG-CE2 3.73Å; P1152-F1268 HydrophobicContact CG-CZ 4Å |
| 1153 | D | 67.4 | Low | 83.8 | Confident | 19 Ų | 19 | 21.7 Ų | 21.7 | 10% | 0.102 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -22.4 | 171.8 | 61.5 | -54.9 | 0 | 0 | 0 | 113.6 | K909 R1065 R1114 G1151 F1268 | K909-D1153 WeakPolarHBondContact CE-O 3.15Å; R1065-D1153 IonicContact NH2-OD1 2.67Å; R1114-D1153 IonicContact CZ-OD2 2.72Å; R1114-D1153 VanDerWaalsContact CZ-OD2 3.23Å; R1114-D1153 IonicContact NH1-OD2 2.88Å; R1114-D1153 PolarHBondContact NH1-OD2 3.11Å; R1114-D1153 IonicContact NH2-OD2 3.21Å; R1114-D1153 PolarHBondContact NH2-OD2 2.88Å; G1151-D1153 VanDerWaalsContact C-OD1 3.28Å; G1151-D1153 VanDerWaalsContact CA-OD1 3.32Å; G1151-D1153 WeakPolarHBondContact CA-OD1 3.31Å; G1151-D1153 PolarHBondContact O-N 3.06Å; D1153-F1268 HydrophobicContact CB-CE1 3.99Å; D1153-F1268 WeakPolarHBondContact OD1-CD1 3.22Å; D1153-F1268 WeakPolarHBondContact OD1-CE1 3.45Å |
| 1154 | S | 65.5 | Low | 84 | Confident | 24 Ų | 24 | 21.9 Ų | 21.9 | 17% | 0.168 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -88.7 | 144.1 | -170.9 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | G1151 H1156 | G1151-S1154 PolarHBondContact N-OG 3.28Å; G1151-S1154 WeakPolarHBondContact O-CB 3.32Å; G1151-S1154 PolarHBondContact O-N 3.22Å; G1151-S1154 PolarHBondContact O-OG 3.22Å; S1154-H1156 VanDerWaalsContact C-N 3.35Å; S1154-H1156 PolarHBondContact O-N 3.11Å |
| 1155 | E | 63.1 | Low | 84.1 | Confident | 93 Ų | 93 | 23.9 Ų | 23.9 | 44% | 0.435 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -74.6 | -22.7 | -175.8 | -55.4 | -133.5 | 102.5 | 0 | 0 | 114 | K909 S1356 | K909-E1155 IonicContact NZ-OE1 2.64Å; K909-E1155 PolarHBondContact NZ-OE1 2.89Å; E1155-S1356 PolarHBondContact OE1-OG 3.27Å |
| 1156 | H | 74.5 | Confident | 84.2 | Confident | 83 Ų | 83 | 23.9 Ų | 23.9 | 38% | 0.384 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -137.3 | 166.6 | 172 | -33.7 | -46.2 | 0 | 0 | 0 | 110.8 | E953 S1154 Q1158 L1161 | E953-H1156 IonicContact OE1-CD2 3.23Å; S1154-H1156 VanDerWaalsContact C-N 3.35Å; S1154-H1156 PolarHBondContact O-N 3.11Å; H1156-Q1158 VanDerWaalsContact C-N 3.29Å; H1156-Q1158 VanDerWaalsContact CB-NE2 3.28Å; H1156-Q1158 VanDerWaalsContact O-CG 3.29Å; H1156-Q1158 WeakPolarHBondContact O-CG 3.15Å; H1156-Q1158 PolarHBondContact O-N 3.46Å; H1156-Q1158 PolarHBondContact O-NE2 3.3Å; H1156-L1161 HydrophobicContact CB-CD1 3.72Å |
| 1157 | E | 82.6 | Confident | 84.3 | Confident | 23 Ų | 23 | 24.1 Ų | 24.1 | 11% | 0.107 | 13% | 0.126 | C | C | . | . | trans | -77.3 | 72 | -178.7 | -61 | 174 | -143.7 | 0 | 0 | 111 | I1159 K1160 L1161 K1265 | E1157-I1159 PolarHBondContact O-N 3.34Å; E1157-K1160 HydrophobicContact CB-CB 4.24Å; E1157-K1160 HydrophobicContact CB-CD 4.36Å; E1157-K1160 WeakPolarHBondContact O-CA 3.46Å; E1157-K1160 WeakPolarHBondContact O-CB 3.22Å; E1157-K1160 PolarHBondContact O-N 2.95Å; E1157-K1160 IonicContact OE1-NZ 3.21Å; E1157-K1160 VanDerWaalsContact OE2-CD 3.25Å; E1157-K1160 WeakPolarHBondContact OE2-CD 3.33Å; E1157-K1160 VanDerWaalsContact OE2-CE 3.26Å; E1157-K1160 WeakPolarHBondContact OE2-CE 3.44Å; E1157-K1160 IonicContact OE2-NZ 3.72Å; E1157-K1160 PolarHBondContact OE2-NZ 2.95Å; E1157-L1161 PolarHBondContact O-N 3.36Å; E1157-K1265 VanDerWaalsContact CD-CG 3.5Å; E1157-K1265 HydrophobicContact CG-CG 4.16Å; E1157-K1265 WeakPolarHBondContact OE1-CE 3.29Å | ||
| 1158 | Q | 83.5 | Confident | 84.4 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.1 | -36.9 | -157.7 | -53.6 | -51.4 | -10.2 | 0 | 0 | 115.9 | E953 V1148 S1150 H1156 K1160 L1161 T1162 | E953-Q1158 VanDerWaalsContact CD-OE1 3.24Å; E953-Q1158 HydrophobicContact CG-CG 4.1Å; E953-Q1158 PolarHBondContact OE1-NE2 3.42Å; E953-Q1158 PolarHBondContact OE1-OE1 3.16Å; E953-Q1158 VanDerWaalsContact OE2-CG 3.26Å; E953-Q1158 WeakPolarHBondContact OE2-CG 3.1Å; E953-Q1158 PolarHBondContact OE2-NE2 3.46Å; V1148-Q1158 HydrophobicContact CG1-CB 3.92Å; S1150-Q1158 PolarHBondContact OG-N 3.45Å; H1156-Q1158 VanDerWaalsContact C-N 3.29Å; H1156-Q1158 VanDerWaalsContact CB-NE2 3.28Å; H1156-Q1158 VanDerWaalsContact O-CG 3.29Å; H1156-Q1158 WeakPolarHBondContact O-CG 3.15Å; H1156-Q1158 PolarHBondContact O-N 3.46Å; H1156-Q1158 PolarHBondContact O-NE2 3.3Å; Q1158-K1160 VanDerWaalsContact C-N 3.3Å; Q1158-K1160 PolarHBondContact O-N 3.26Å; Q1158-L1161 PolarHBondContact O-N 2.91Å; Q1158-T1162 VanDerWaalsContact O-CB 3.24Å; Q1158-T1162 WeakPolarHBondContact O-CB 3.22Å; Q1158-T1162 PolarHBondContact O-N 3.22Å; Q1158-T1162 PolarHBondContact O-OG1 2.77Å |
| 1159 | I | 89.2 | Confident | 84.4 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.3 | -34 | 178 | -68.9 | 170.1 | 0 | 0 | 0 | 110.4 | V1148 E1157 T1162 Y1163 A1257 F1264 E1269 N1271 | V1148-I1159 HydrophobicContact CG1-CG1 4Å; E1157-I1159 PolarHBondContact O-N 3.34Å; I1159-T1162 WeakPolarHBondContact O-CB 3.4Å; I1159-T1162 PolarHBondContact O-N 3.45Å; I1159-Y1163 HydrophobicContact CG2-CD2 3.99Å; I1159-Y1163 HydrophobicContact CG2-CE2 3.67Å; I1159-Y1163 WeakPolarHBondContact O-CB 3.11Å; I1159-Y1163 PolarHBondContact O-N 3.14Å; I1159-A1257 HydrophobicContact CD1-CB 3.76Å; I1159-A1257 HydrophobicContact CG2-CB 3.84Å; I1159-F1264 HydrophobicContact CG2-CE1 4.3Å; I1159-E1269 HydrophobicContact CD1-CB 3.73Å; I1159-N1271 HydrophobicContact CD1-CB 4.31Å |
| 1160 | K | 92.2 | Very high | 84.8 | Confident | 27 Ų | 27 | 29.1 Ų | 29.1 | 12% | 0.117 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.2 | -44.8 | 172.4 | 157.6 | 173.4 | 143.9 | -173 | 0 | 112.3 | E1157 Q1158 T1162 Y1163 L1164 D1184 I1187 F1264 | E1157-K1160 HydrophobicContact CB-CB 4.24Å; E1157-K1160 HydrophobicContact CB-CD 4.36Å; E1157-K1160 WeakPolarHBondContact O-CA 3.46Å; E1157-K1160 WeakPolarHBondContact O-CB 3.22Å; E1157-K1160 PolarHBondContact O-N 2.95Å; E1157-K1160 IonicContact OE1-NZ 3.21Å; E1157-K1160 VanDerWaalsContact OE2-CD 3.25Å; E1157-K1160 WeakPolarHBondContact OE2-CD 3.33Å; E1157-K1160 VanDerWaalsContact OE2-CE 3.26Å; E1157-K1160 WeakPolarHBondContact OE2-CE 3.44Å; E1157-K1160 IonicContact OE2-NZ 3.72Å; E1157-K1160 PolarHBondContact OE2-NZ 2.95Å; Q1158-K1160 VanDerWaalsContact C-N 3.3Å; Q1158-K1160 PolarHBondContact O-N 3.26Å; K1160-T1162 VanDerWaalsContact C-N 3.26Å; K1160-T1162 PolarHBondContact O-N 2.81Å; K1160-Y1163 PolarHBondContact O-N 3.24Å; K1160-L1164 HydrophobicContact CG-CD1 4Å; K1160-L1164 HydrophobicContact CG-CG 4.45Å; K1160-L1164 WeakPolarHBondContact O-CB 3.4Å; K1160-L1164 WeakPolarHBondContact O-CG 3.27Å; K1160-L1164 PolarHBondContact O-N 2.88Å; K1160-D1184 VanDerWaalsContact CD-OD2 3.31Å; K1160-D1184 WeakPolarHBondContact CD-OD2 3.42Å; K1160-D1184 WeakPolarHBondContact CE-OD2 3.37Å; K1160-D1184 IonicContact NZ-OD2 2.74Å; K1160-D1184 PolarHBondContact NZ-OD2 2.66Å; K1160-I1187 HydrophobicContact CG-CD1 4.47Å; K1160-I1187 HydrophobicContact CG-CG1 4.32Å; K1160-F1264 HydrophobicContact CB-CB 4.1Å; K1160-F1264 HydrophobicContact CB-CD1 3.87Å; K1160-F1264 HydrophobicContact CB-CD2 3.91Å; K1160-F1264 HydrophobicContact CB-CE1 4.25Å; K1160-F1264 HydrophobicContact CB-CE2 4.28Å; K1160-F1264 HydrophobicContact CB-CG 3.7Å; K1160-F1264 HydrophobicContact CB-CZ 4.44Å; K1160-F1264 HydrophobicContact CD-CB 4.39Å; K1160-F1264 HydrophobicContact CD-CD2 3.99Å; K1160-F1264 HydrophobicContact CD-CG 4.34Å; K1160-F1264 HydrophobicContact CG-CD2 4.4Å |
| 1161 | L | 91.6 | Very high | 85.3 | Confident | 64 Ų | 64 | 35.7 Ų | 35.7 | 34% | 0.335 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 174.5 | -66.6 | -177.8 | 0 | 0 | 0 | 111.3 | M948 H1156 E1157 Q1158 K1165 | M948-L1161 HydrophobicContact CE-CB 4.28Å; H1156-L1161 HydrophobicContact CB-CD1 3.72Å; E1157-L1161 PolarHBondContact O-N 3.36Å; Q1158-L1161 PolarHBondContact O-N 2.91Å; L1161-K1165 WeakPolarHBondContact O-CB 3.33Å; L1161-K1165 PolarHBondContact O-N 2.84Å |
| 1162 | T | 94.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.2 | -50.7 | 173.2 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | L945 Q1158 I1159 K1160 K1165 M1166 I1273 | L945-T1162 HydrophobicContact CD1-CG2 4.3Å; Q1158-T1162 VanDerWaalsContact O-CB 3.24Å; Q1158-T1162 WeakPolarHBondContact O-CB 3.22Å; Q1158-T1162 PolarHBondContact O-N 3.22Å; Q1158-T1162 PolarHBondContact O-OG1 2.77Å; I1159-T1162 WeakPolarHBondContact O-CB 3.4Å; I1159-T1162 PolarHBondContact O-N 3.45Å; K1160-T1162 VanDerWaalsContact C-N 3.26Å; K1160-T1162 PolarHBondContact O-N 2.81Å; T1162-K1165 PolarHBondContact O-N 3.29Å; T1162-M1166 HydrophobicContact CG2-SD 4.01Å; T1162-M1166 WeakPolarHBondContact O-CB 3.25Å; T1162-M1166 WeakPolarHBondContact O-CG 3.31Å; T1162-M1166 PolarHBondContact O-N 2.87Å; T1162-I1273 HydrophobicContact CG2-CD1 3.6Å; T1162-I1273 HydrophobicContact CG2-CG1 3.98Å |
| 1163 | Y | 96.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 177 | -73.5 | -25.3 | 0 | 0 | 0 | 112.7 | I1159 K1160 K1165 M1166 I1167 M1245 I1259 F1264 N1271 | I1159-Y1163 HydrophobicContact CG2-CD2 3.99Å; I1159-Y1163 HydrophobicContact CG2-CE2 3.67Å; I1159-Y1163 WeakPolarHBondContact O-CB 3.11Å; I1159-Y1163 PolarHBondContact O-N 3.14Å; K1160-Y1163 PolarHBondContact O-N 3.24Å; Y1163-K1165 VanDerWaalsContact C-N 3.26Å; Y1163-K1165 PolarHBondContact O-N 3.43Å; Y1163-M1166 HydrophobicContact CD1-SD 4.36Å; Y1163-M1166 PolarHBondContact O-N 3.36Å; Y1163-I1167 WeakPolarHBondContact O-CB 3.48Å; Y1163-I1167 WeakPolarHBondContact O-CD1 3.46Å; Y1163-I1167 VanDerWaalsContact O-CG1 3.23Å; Y1163-I1167 WeakPolarHBondContact O-CG1 3.38Å; Y1163-I1167 PolarHBondContact O-N 2.71Å; Y1163-M1245 HydrophobicContact CD1-CB 4.45Å; Y1163-M1245 HydrophobicContact CD1-CE 3.68Å; Y1163-M1245 HydrophobicContact CD1-SD 3.78Å; Y1163-M1245 HydrophobicContact CD2-CE 4.32Å; Y1163-M1245 HydrophobicContact CE1-CB 4.07Å; Y1163-M1245 HydrophobicContact CE1-CE 4.12Å; Y1163-M1245 HydrophobicContact CE1-SD 4.35Å; Y1163-M1245 HydrophobicContact CG-CE 3.78Å; Y1163-M1245 HydrophobicContact CG-SD 4.33Å; Y1163-I1259 HydrophobicContact CE2-CG1 4.24Å; Y1163-F1264 AromaticContact CD2-CE1 3.84Å; Y1163-F1264 HydrophobicContact CD2-CE1 3.84Å; Y1163-F1264 AromaticContact CD2-CZ 3.97Å; Y1163-F1264 HydrophobicContact CD2-CZ 3.97Å; Y1163-F1264 HydrophobicContact CE2-CE1 4.01Å; Y1163-F1264 HydrophobicContact CE2-CZ 4.37Å; Y1163-N1271 PolarHBondContact OH-ND2 3.29Å |
| 1164 | L | 94.5 | Very high | 88.9 | Confident | 34 Ų | 34 | 39.4 Ų | 39.4 | 18% | 0.178 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.7 | -42.4 | 172.6 | -74.6 | 171.1 | 0 | 0 | 0 | 111.1 | K1160 N1168 P1186 I1187 A1190 | K1160-L1164 HydrophobicContact CG-CD1 4Å; K1160-L1164 HydrophobicContact CG-CG 4.45Å; K1160-L1164 WeakPolarHBondContact O-CB 3.4Å; K1160-L1164 WeakPolarHBondContact O-CG 3.27Å; K1160-L1164 PolarHBondContact O-N 2.88Å; L1164-N1168 WeakPolarHBondContact O-CB 3.43Å; L1164-N1168 PolarHBondContact O-N 3.35Å; L1164-N1168 VanDerWaalsContact O-N 3.13Å; L1164-N1168 PolarHBondContact O-ND2 2.87Å; L1164-P1186 HydrophobicContact CD1-CB 4.13Å; L1164-P1186 HydrophobicContact CD2-CB 4.04Å; L1164-I1187 HydrophobicContact CD2-CD1 3.83Å; L1164-I1187 HydrophobicContact CD2-CG1 4.23Å; L1164-I1187 HydrophobicContact CG-CD1 3.72Å; L1164-I1187 HydrophobicContact CG-CG1 4.35Å; L1164-A1190 HydrophobicContact CD2-CB 4.01Å |
| 1165 | K | 94.7 | Very high | 90.5 | Very high | 47 Ų | 47 | 38.4 Ų | 38.4 | 20% | 0.204 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.6 | -40.3 | 178.1 | -173.6 | 55.6 | 177.1 | 174.4 | 0 | 112.6 | L945 M948 L1161 T1162 Y1163 N1168 L1169 | L945-K1165 HydrophobicContact CB-CG 4.17Å; L945-K1165 HydrophobicContact CD1-CB 4.13Å; L945-K1165 HydrophobicContact CD1-CG 3.93Å; M948-K1165 HydrophobicContact CE-CB 4.42Å; M948-K1165 HydrophobicContact SD-CB 4.45Å; L1161-K1165 WeakPolarHBondContact O-CB 3.33Å; L1161-K1165 PolarHBondContact O-N 2.84Å; T1162-K1165 PolarHBondContact O-N 3.29Å; Y1163-K1165 VanDerWaalsContact C-N 3.26Å; Y1163-K1165 PolarHBondContact O-N 3.43Å; K1165-N1168 PolarHBondContact O-N 3.43Å; K1165-L1169 HydrophobicContact CG-CD1 4.37Å; K1165-L1169 WeakPolarHBondContact O-CG 3.18Å; K1165-L1169 PolarHBondContact O-N 3.34Å; K1165-L1169 VanDerWaalsContact O-N 3.16Å |
| 1166 | M | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62 | -48 | 175.2 | -77.4 | 178.4 | 67.2 | 0 | 0 | 111.8 | L945 T1162 Y1163 N1168 L1169 A1170 M1245 I1247 I1251 I1273 | L945-M1166 HydrophobicContact CD2-CG 3.69Å; T1162-M1166 HydrophobicContact CG2-SD 4.01Å; T1162-M1166 WeakPolarHBondContact O-CB 3.25Å; T1162-M1166 WeakPolarHBondContact O-CG 3.31Å; T1162-M1166 PolarHBondContact O-N 2.87Å; Y1163-M1166 HydrophobicContact CD1-SD 4.36Å; Y1163-M1166 PolarHBondContact O-N 3.36Å; M1166-N1168 VanDerWaalsContact C-N 3.3Å; M1166-N1168 PolarHBondContact O-N 3.45Å; M1166-L1169 PolarHBondContact O-N 3.28Å; M1166-A1170 PolarHBondContact O-N 2.9Å; M1166-M1245 HydrophobicContact CB-SD 4.17Å; M1166-M1245 HydrophobicContact CE-CB 4.31Å; M1166-M1245 HydrophobicContact CE-CG 4.19Å; M1166-M1245 HydrophobicContact CE-SD 4.33Å; M1166-I1247 HydrophobicContact CB-CD1 4.08Å; M1166-I1247 HydrophobicContact CB-CG1 3.87Å; M1166-I1247 HydrophobicContact CE-CG1 3.75Å; M1166-I1247 HydrophobicContact CG-CG1 4.44Å; M1166-I1247 WeakPolarHBondContact O-CD1 3.5Å; M1166-I1251 HydrophobicContact CE-CG2 4.11Å; M1166-I1273 HydrophobicContact SD-CD1 4.21Å |
| 1167 | I | 96.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.5 | -42.2 | 176.5 | -67.1 | 160.2 | 0 | 0 | 0 | 110.8 | Y1163 L1169 A1170 I1174 I1187 A1190 L1191 A1194 M1245 | Y1163-I1167 WeakPolarHBondContact O-CB 3.48Å; Y1163-I1167 WeakPolarHBondContact O-CD1 3.46Å; Y1163-I1167 VanDerWaalsContact O-CG1 3.23Å; Y1163-I1167 WeakPolarHBondContact O-CG1 3.38Å; Y1163-I1167 PolarHBondContact O-N 2.71Å; I1167-L1169 VanDerWaalsContact C-N 3.27Å; I1167-L1169 PolarHBondContact O-N 2.99Å; I1167-A1170 WeakPolarHBondContact O-CB 3.44Å; I1167-A1170 PolarHBondContact O-N 3.28Å; I1167-I1174 HydrophobicContact CB-CD1 4.28Å; I1167-I1174 HydrophobicContact CG1-CD1 4.28Å; I1167-I1174 HydrophobicContact CG2-CD1 3.91Å; I1167-I1187 HydrophobicContact CD1-CD1 4.27Å; I1167-A1190 HydrophobicContact CG2-CB 3.9Å; I1167-L1191 HydrophobicContact CD1-CD2 3.94Å; I1167-L1191 HydrophobicContact CD1-CG 4.01Å; I1167-L1191 HydrophobicContact CG1-CD2 4.04Å; I1167-L1191 HydrophobicContact CG2-CD2 4.36Å; I1167-A1194 HydrophobicContact CG2-CB 4.29Å; I1167-M1245 HydrophobicContact CD1-CE 4.24Å; I1167-M1245 HydrophobicContact CG1-CE 4.32Å; I1167-M1245 HydrophobicContact CG1-SD 4.08Å |
| 1168 | N | 92.1 | Very high | 94 | Very high | 107 Ų | 107 | 29.1 Ų | 29.1 | 57% | 0.572 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -9 | 177.4 | -81.4 | -82.3 | 0 | 0 | 0 | 114.9 | L1164 K1165 M1166 | L1164-N1168 WeakPolarHBondContact O-CB 3.43Å; L1164-N1168 PolarHBondContact O-N 3.35Å; L1164-N1168 VanDerWaalsContact O-N 3.13Å; L1164-N1168 PolarHBondContact O-ND2 2.87Å; K1165-N1168 PolarHBondContact O-N 3.43Å; M1166-N1168 VanDerWaalsContact C-N 3.3Å; M1166-N1168 PolarHBondContact O-N 3.45Å |
| 1169 | L | 91.6 | Very high | 94.4 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 12% | 0.115 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -16.1 | 174 | -75.3 | 170.6 | 0 | 0 | 0 | 113.1 | V940 L945 K1165 M1166 I1167 I1251 | V940-L1169 HydrophobicContact CG1-CB 4.11Å; L945-L1169 HydrophobicContact CB-CD1 4.12Å; L945-L1169 HydrophobicContact CD2-CD1 4.49Å; K1165-L1169 HydrophobicContact CG-CD1 4.37Å; K1165-L1169 WeakPolarHBondContact O-CG 3.18Å; K1165-L1169 PolarHBondContact O-N 3.34Å; K1165-L1169 VanDerWaalsContact O-N 3.16Å; M1166-L1169 PolarHBondContact O-N 3.28Å; I1167-L1169 VanDerWaalsContact C-N 3.27Å; I1167-L1169 PolarHBondContact O-N 2.99Å; L1169-I1251 HydrophobicContact CD1-CD1 4.42Å |
| 1170 | A | 93.3 | Very high | 94.5 | Very high | 13 Ų | 13 | 30.9 Ų | 30.9 | 11% | 0.107 | 15% | 0.147 | C | C | . | . | trans | -68.9 | 140.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | M1166 I1167 I1174 V1199 I1247 | M1166-A1170 PolarHBondContact O-N 2.9Å; I1167-A1170 WeakPolarHBondContact O-CB 3.44Å; I1167-A1170 PolarHBondContact O-N 3.28Å; A1170-I1174 HydrophobicContact CB-CD1 3.74Å; A1170-I1174 HydrophobicContact CB-CG1 3.49Å; A1170-I1174 VanDerWaalsContact CB-CG1 3.49Å; A1170-V1199 HydrophobicContact CB-CG1 3.82Å; A1170-I1247 HydrophobicContact CB-CD1 4.39Å; A1170-I1247 HydrophobicContact CB-CG2 3.73Å | ||
| 1171 | K | 91.3 | Very high | 94.6 | Very high | 138 Ų | 138 | 29.6 Ų | 29.6 | 60% | 0.6 | 14% | 0.142 | S | C | * | . | S | Bend | trans | -130.3 | -11.7 | -179.3 | -62.1 | 171.7 | -169.9 | 162.7 | 0 | 113.8 | D1248 | K1171-D1248 WeakPolarHBondContact CB-OD2 3.25Å; K1171-D1248 PolarHBondContact N-OD1 2.8Å; K1171-D1248 PolarHBondContact N-OD2 3.41Å |
| 1172 | K | 92.5 | Very high | 94.6 | Very high | 107 Ų | 107 | 27.8 Ų | 27.8 | 47% | 0.465 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -135.9 | -52 | -178 | -56.6 | 176.7 | -170.6 | 166.6 | 0 | 112.8 | Q939 K1200 D1248 | Q939-K1172 VanDerWaalsContact OE1-CE 3.24Å; K1172-K1200 PolarHBondContact O-N 3.38Å; K1172-D1248 WeakPolarHBondContact CA-OD1 3.37Å; K1172-D1248 WeakPolarHBondContact CB-OD1 3.34Å; K1172-D1248 PolarHBondContact N-OD1 3.28Å |
| 1173 | E | 95 | Very high | 94.3 | Very high | 31 Ų | 31 | 28.2 Ų | 28.2 | 15% | 0.145 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 144.1 | -175.4 | 63.2 | -176.2 | -167.5 | 0 | 0 | 114.1 | K1200 D1248 R1284 | E1173-K1200 CarbonylContact C-O 3.18Å; E1173-K1200 VanDerWaalsContact CA-O 3.27Å; E1173-K1200 WeakPolarHBondContact CA-O 3.29Å; E1173-K1200 HydrophobicContact CB-CB 4.38Å; E1173-D1248 PolarHBondContact N-OD1 2.96Å; E1173-D1248 PolarHBondContact O-N 3.36Å; E1173-R1284 IonicContact OE1-CZ 3.55Å; E1173-R1284 IonicContact OE1-NH1 2.72Å; E1173-R1284 PolarHBondContact OE1-NH1 2.94Å; E1173-R1284 VanDerWaalsContact OE1-NH1 3.11Å |
| 1174 | I | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 119.4 | 169.3 | -56.2 | 175 | 0 | 0 | 0 | 106.4 | I1167 A1170 I1176 L1191 A1194 V1199 K1200 V1201 R1202 M1245 I1246 I1247 | I1167-I1174 HydrophobicContact CB-CD1 4.28Å; I1167-I1174 HydrophobicContact CG1-CD1 4.28Å; I1167-I1174 HydrophobicContact CG2-CD1 3.91Å; A1170-I1174 HydrophobicContact CB-CD1 3.74Å; A1170-I1174 HydrophobicContact CB-CG1 3.49Å; A1170-I1174 VanDerWaalsContact CB-CG1 3.49Å; I1174-I1176 HydrophobicContact CG2-CD1 4.05Å; I1174-I1176 HydrophobicContact CG2-CG1 3.92Å; I1174-L1191 HydrophobicContact CD1-CD2 4.28Å; I1174-L1191 HydrophobicContact CG2-CD2 4.4Å; I1174-A1194 HydrophobicContact CD1-CB 3.95Å; I1174-V1199 HydrophobicContact CD1-CG1 4.15Å; I1174-V1199 HydrophobicContact CG1-CG1 3.87Å; I1174-K1200 PolarHBondContact N-O 3.46Å; I1174-V1201 HydrophobicContact CB-CG2 4.3Å; I1174-V1201 HydrophobicContact CD1-CG2 4.34Å; I1174-V1201 WeakPolarHBondContact O-CA 3.47Å; I1174-R1202 PolarHBondContact O-N 3.42Å; I1174-M1245 HydrophobicContact CG2-CG 4.24Å; I1174-I1246 WeakPolarHBondContact CA-O 3.39Å; I1174-I1247 HydrophobicContact CB-CD1 4.41Å; I1174-I1247 HydrophobicContact CG1-CD1 3.96Å; I1174-I1247 HydrophobicContact CG2-CD1 4Å |
| 1175 | L | 98.3 | Very high | 93 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.1 | 177.7 | -51.1 | 177.5 | 0 | 0 | 0 | 108.9 | R1202 M1245 I1246 R1284 F1287 | L1175-R1202 WeakPolarHBondContact CA-O 3.42Å; L1175-R1202 HydrophobicContact CD2-CB 3.81Å; L1175-M1245 CarbonylContact O-C 3.58Å; L1175-M1245 VanDerWaalsContact O-CA 3.31Å; L1175-M1245 WeakPolarHBondContact O-CA 3.41Å; L1175-I1246 HydrophobicContact CB-CB 4.22Å; L1175-I1246 HydrophobicContact CD1-CD1 4.43Å; L1175-I1246 PolarHBondContact N-O 3.26Å; L1175-I1246 PolarHBondContact O-N 2.95Å; L1175-R1284 HydrophobicContact CD1-CB 4.46Å; L1175-R1284 HydrophobicContact CD1-CG 3.56Å; L1175-F1287 HydrophobicContact CB-CD2 4.06Å; L1175-F1287 HydrophobicContact CB-CE2 3.99Å; L1175-F1287 HydrophobicContact CB-CG 4.49Å; L1175-F1287 HydrophobicContact CB-CZ 4.37Å |
| 1176 | I | 98.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 123.3 | -173.3 | -60.2 | 178.2 | 0 | 0 | 0 | 110.5 | I1174 T1178 L1191 V1201 R1202 M1203 Q1204 T1244 M1245 I1259 F1287 | I1174-I1176 HydrophobicContact CG2-CD1 4.05Å; I1174-I1176 HydrophobicContact CG2-CG1 3.92Å; I1176-T1178 HydrophobicContact CG2-CG2 4.23Å; I1176-L1191 HydrophobicContact CD1-CD1 4.14Å; I1176-L1191 HydrophobicContact CD1-CD2 3.88Å; I1176-V1201 HydrophobicContact CD1-CG1 4.35Å; I1176-R1202 PolarHBondContact N-O 2.94Å; I1176-M1203 HydrophobicContact CB-CB 4.35Å; I1176-M1203 HydrophobicContact CB-CG 4.1Å; I1176-M1203 HydrophobicContact CD1-CE 4.04Å; I1176-M1203 HydrophobicContact CG2-CE 4.36Å; I1176-M1203 HydrophobicContact CG2-CG 4.03Å; I1176-M1203 CarbonylContact O-C 3.55Å; I1176-M1203 VanDerWaalsContact O-CA 3.26Å; I1176-M1203 WeakPolarHBondContact O-CA 3.47Å; I1176-Q1204 PolarHBondContact O-N 3.25Å; I1176-T1244 CarbonylContact C-O 3.52Å; I1176-T1244 WeakPolarHBondContact CA-O 3.47Å; I1176-M1245 HydrophobicContact CD1-CE 4.24Å; I1176-M1245 HydrophobicContact CG1-CE 4.43Å; I1176-M1245 HydrophobicContact CG1-CG 4.41Å; I1176-I1259 HydrophobicContact CD1-CD1 4.28Å; I1176-I1259 HydrophobicContact CG2-CD1 3.58Å; I1176-F1287 WeakPolarHBondContact O-CE2 3.43Å |
| 1177 | Q | 98 | Very high | 92.2 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.8 | 159.7 | -56.5 | -175.9 | -48.3 | 0 | 0 | 107.3 | N1099 Q1204 I1240 A1242 K1243 T1244 F1287 D1290 | N1099-Q1177 PolarHBondContact ND2-OE1 2.9Å; Q1177-Q1204 HydrophobicContact CG-CB 4.42Å; Q1177-I1240 HydrophobicContact CB-CD1 4.34Å; Q1177-I1240 HydrophobicContact CG-CD1 4.22Å; Q1177-A1242 CarbonylContact C-O 3.49Å; Q1177-A1242 HydrophobicContact CB-CB 3.84Å; Q1177-K1243 WeakPolarHBondContact O-CA 3.11Å; Q1177-T1244 PolarHBondContact N-O 3.18Å; Q1177-T1244 PolarHBondContact O-N 3.21Å; Q1177-F1287 HydrophobicContact CG-CD2 3.51Å; Q1177-F1287 HydrophobicContact CG-CE2 3.64Å; Q1177-D1290 PolarHBondContact NE2-OD2 2.88Å; Q1177-D1290 VanDerWaalsContact NE2-OD2 3.12Å |
| 1178 | T | 96.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | trans | -155.3 | 137.7 | 170.8 | -164.4 | 0 | 0 | 0 | 0 | 110.8 | I1176 Y1180 Y1181 Q1204 A1242 I1259 | I1176-T1178 HydrophobicContact CG2-CG2 4.23Å; T1178-Y1180 VanDerWaalsContact C-N 3.32Å; T1178-Y1180 PolarHBondContact OG1-O 3.14Å; T1178-Y1180 VanDerWaalsContact OG1-O 3.08Å; T1178-Y1181 HydrophobicContact CG2-CD2 4.37Å; T1178-Q1204 PolarHBondContact N-O 3.08Å; T1178-A1242 VanDerWaalsContact CA-O 3.31Å; T1178-A1242 WeakPolarHBondContact CA-O 3.28Å; T1178-A1242 PolarHBondContact N-O 3.5Å; T1178-I1259 HydrophobicContact CG2-CB 4.45Å; T1178-I1259 HydrophobicContact CG2-CD1 4.46Å; T1178-I1259 HydrophobicContact CG2-CG1 4.43Å; T1178-I1259 PolarHBondContact OG1-N 2.74Å | ||
| 1179 | P | 92.1 | Very high | 92 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.013 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -70 | -33.5 | 174.9 | 27.8 | -33 | 0 | 0 | 0 | 111.7 | P1206 F1239 N1258 | P1179-P1206 WeakPolarHBondContact O-CD 3.46Å; P1179-P1206 WeakPolarHBondContact O-CG 3.37Å; P1179-F1239 HydrophobicContact CB-CZ 4.14Å; P1179-N1258 WeakPolarHBondContact CG-OD1 3.39Å |
| 1180 | Y | 92.2 | Very high | 92.1 | Very high | 39 Ų | 39 | 30 Ų | 30 | 15% | 0.153 | 16% | 0.157 | C | C | . | . | trans | -128 | 121.2 | -174.9 | -40.7 | -45.9 | 0 | 0 | 0 | 109.6 | T1178 D1210 V1214 T1218 F1239 N1258 I1259 | T1178-Y1180 VanDerWaalsContact C-N 3.32Å; T1178-Y1180 PolarHBondContact OG1-O 3.14Å; T1178-Y1180 VanDerWaalsContact OG1-O 3.08Å; Y1180-D1210 WeakPolarHBondContact CE1-OD1 3.46Å; Y1180-D1210 PolarHBondContact OH-OD2 3.44Å; Y1180-V1214 HydrophobicContact CD1-CG1 3.27Å; Y1180-V1214 HydrophobicContact CE1-CG1 3.94Å; Y1180-V1214 HydrophobicContact CG-CG1 3.69Å; Y1180-T1218 WeakPolarHBondContact CA-OG1 3.4Å; Y1180-F1239 HydrophobicContact CE1-CZ 4.45Å; Y1180-N1258 HydrophobicContact CD2-CB 4.21Å; Y1180-I1259 PolarHBondContact O-N 3.09Å | ||
| 1181 | Y | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 83.2 | 175.8 | -174.3 | -104.9 | 0 | 0 | 0 | 108.7 | T1178 P1183 H1188 L1191 M1203 T1218 F1221 A1222 L1225 I1259 | T1178-Y1181 HydrophobicContact CG2-CD2 4.37Å; Y1181-P1183 HydrophobicContact CD1-CG 4.27Å; Y1181-P1183 HydrophobicContact CE1-CG 3.74Å; Y1181-P1183 HydrophobicContact CE2-CB 4.17Å; Y1181-P1183 HydrophobicContact CE2-CG 4.05Å; Y1181-P1183 WeakPolarHBondContact O-CD 3.29Å; Y1181-H1188 AromaticContact CE1-ND1 3.83Å; Y1181-H1188 AromaticContact CZ-ND1 3.8Å; Y1181-H1188 PolarHBondContact OH-ND1 3.46Å; Y1181-L1191 HydrophobicContact CE2-CD1 3.97Å; Y1181-L1191 VanDerWaalsContact OH-CD1 3.31Å; Y1181-L1191 WeakPolarHBondContact OH-CD1 3.06Å; Y1181-M1203 HydrophobicContact CD1-CE 4.31Å; Y1181-M1203 HydrophobicContact CD1-SD 4.17Å; Y1181-M1203 HydrophobicContact CD2-CE 3.6Å; Y1181-M1203 HydrophobicContact CD2-SD 3.91Å; Y1181-M1203 HydrophobicContact CE1-CE 4.17Å; Y1181-M1203 HydrophobicContact CE2-CE 3.45Å; Y1181-M1203 VanDerWaalsContact CE2-CE 3.45Å; Y1181-M1203 HydrophobicContact CE2-SD 4.34Å; Y1181-M1203 HydrophobicContact CG-CE 4.05Å; Y1181-M1203 HydrophobicContact CG-SD 3.84Å; Y1181-T1218 PolarHBondContact N-OG1 2.77Å; Y1181-T1218 VanDerWaalsContact N-OG1 3.1Å; Y1181-T1218 WeakPolarHBondContact O-CA 3.21Å; Y1181-F1221 HydrophobicContact CD1-CB 3.73Å; Y1181-F1221 HydrophobicContact CE1-CB 3.97Å; Y1181-F1221 WeakPolarHBondContact O-CB 3.23Å; Y1181-A1222 HydrophobicContact CD1-CB 4.08Å; Y1181-L1225 HydrophobicContact CE1-CD1 4.24Å; Y1181-I1259 HydrophobicContact CD2-CB 3.97Å; Y1181-I1259 HydrophobicContact CD2-CG2 3.78Å; Y1181-I1259 HydrophobicContact CE2-CB 4.45Å; Y1181-I1259 HydrophobicContact CE2-CG2 3.78Å |
| 1182 | I | 90.7 | Very high | 92.5 | Very high | 26 Ų | 26 | 23.6 Ų | 23.6 | 13% | 0.133 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 62 | 177.9 | -52.4 | 169.9 | 0 | 0 | 0 | 107 | V1214 A1217 F1221 I1259 D1260 V1261 L1320 | I1182-V1214 HydrophobicContact CD1-CB 4.48Å; I1182-V1214 HydrophobicContact CD1-CG1 3.93Å; I1182-A1217 HydrophobicContact CD1-CB 3.96Å; I1182-A1217 HydrophobicContact CG1-CB 4.01Å; I1182-F1221 HydrophobicContact CG2-CD2 4.38Å; I1182-F1221 HydrophobicContact CG2-CE2 4.05Å; I1182-I1259 CarbonylContact C-O 3.5Å; I1182-I1259 PolarHBondContact N-O 3.16Å; I1182-D1260 HydrophobicContact CB-CB 4Å; I1182-D1260 VanDerWaalsContact O-CA 3.3Å; I1182-D1260 WeakPolarHBondContact O-CA 3.36Å; I1182-V1261 PolarHBondContact O-N 3.1Å; I1182-L1320 HydrophobicContact CD1-CD1 3.91Å |
| 1183 | P | 89.8 | Confident | 92.6 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 7% | 0.065 | 13% | 0.13 | C | C | . | . | trans | -67.4 | 160.3 | -168.3 | 32.8 | -41.4 | 0 | 0 | 0 | 112.1 | Y1181 I1187 H1188 I1259 | Y1181-P1183 HydrophobicContact CD1-CG 4.27Å; Y1181-P1183 HydrophobicContact CE1-CG 3.74Å; Y1181-P1183 HydrophobicContact CE2-CB 4.17Å; Y1181-P1183 HydrophobicContact CE2-CG 4.05Å; Y1181-P1183 WeakPolarHBondContact O-CD 3.29Å; P1183-I1187 HydrophobicContact CB-CB 4.28Å; P1183-I1187 HydrophobicContact CB-CG2 4.05Å; P1183-H1188 HydrophobicContact CB-CB 4.02Å; P1183-H1188 HydrophobicContact CG-CB 3.69Å; P1183-I1259 HydrophobicContact CB-CG2 4.22Å | ||
| 1184 | D | 81.8 | Confident | 92.4 | Very high | 16 Ų | 16 | 22.3 Ų | 22.3 | 9% | 0.086 | 13% | 0.126 | C | C | . | . | trans | -77.3 | 168.7 | 160.8 | 76.9 | -14.7 | 0 | 0 | 0 | 111.4 | K1160 P1186 I1187 H1188 V1261 | K1160-D1184 VanDerWaalsContact CD-OD2 3.31Å; K1160-D1184 WeakPolarHBondContact CD-OD2 3.42Å; K1160-D1184 WeakPolarHBondContact CE-OD2 3.37Å; K1160-D1184 IonicContact NZ-OD2 2.74Å; K1160-D1184 PolarHBondContact NZ-OD2 2.66Å; D1184-P1186 VanDerWaalsContact CG-CD 3.49Å; D1184-P1186 WeakPolarHBondContact OD2-CD 3.27Å; D1184-I1187 PolarHBondContact O-N 3.22Å; D1184-I1187 WeakPolarHBondContact OD1-CB 3.28Å; D1184-I1187 WeakPolarHBondContact OD1-CG1 3.35Å; D1184-I1187 PolarHBondContact OD1-N 2.84Å; D1184-H1188 WeakPolarHBondContact O-CB 3.34Å; D1184-H1188 PolarHBondContact O-N 2.6Å; D1184-H1188 VanDerWaalsContact O-N 3.08Å; D1184-V1261 HydrophobicContact CB-CG2 4.27Å | ||
| 1185 | A | 80.4 | Confident | 92.4 | Very high | 60 Ų | 60 | 23.1 Ų | 23.1 | 50% | 0.496 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -59.7 | -44.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1187 H1188 E1189 | A1185-I1187 PolarHBondContact O-N 3.39Å; A1185-H1188 PolarHBondContact O-N 3.1Å; A1185-E1189 WeakPolarHBondContact O-CB 3.42Å; A1185-E1189 WeakPolarHBondContact O-CG 3.34Å; A1185-E1189 PolarHBondContact O-N 2.91Å |
| 1186 | P | 81.6 | Confident | 92.2 | Very high | 62 Ų | 62 | 27.7 Ų | 27.7 | 40% | 0.403 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -50.1 | -53.4 | 172.6 | -31.7 | 35.1 | 0 | 0 | 0 | 115 | L1164 D1184 A1190 | L1164-P1186 HydrophobicContact CD1-CB 4.13Å; L1164-P1186 HydrophobicContact CD2-CB 4.04Å; D1184-P1186 VanDerWaalsContact CG-CD 3.49Å; D1184-P1186 WeakPolarHBondContact OD2-CD 3.27Å; P1186-A1190 WeakPolarHBondContact O-CB 3.33Å; P1186-A1190 PolarHBondContact O-N 3.31Å |
| 1187 | I | 91.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.2 | -41.6 | -178 | -70.1 | -76.8 | 0 | 0 | 0 | 111.2 | K1160 L1164 I1167 P1183 D1184 A1185 A1190 L1191 I1259 F1264 | K1160-I1187 HydrophobicContact CG-CD1 4.47Å; K1160-I1187 HydrophobicContact CG-CG1 4.32Å; L1164-I1187 HydrophobicContact CD2-CD1 3.83Å; L1164-I1187 HydrophobicContact CD2-CG1 4.23Å; L1164-I1187 HydrophobicContact CG-CD1 3.72Å; L1164-I1187 HydrophobicContact CG-CG1 4.35Å; I1167-I1187 HydrophobicContact CD1-CD1 4.27Å; P1183-I1187 HydrophobicContact CB-CB 4.28Å; P1183-I1187 HydrophobicContact CB-CG2 4.05Å; D1184-I1187 PolarHBondContact O-N 3.22Å; D1184-I1187 WeakPolarHBondContact OD1-CB 3.28Å; D1184-I1187 WeakPolarHBondContact OD1-CG1 3.35Å; D1184-I1187 PolarHBondContact OD1-N 2.84Å; A1185-I1187 PolarHBondContact O-N 3.39Å; I1187-A1190 PolarHBondContact O-N 2.83Å; I1187-L1191 HydrophobicContact CG2-CD1 4.23Å; I1187-L1191 WeakPolarHBondContact O-CG 3.05Å; I1187-L1191 PolarHBondContact O-N 3.2Å; I1187-I1259 HydrophobicContact CG2-CG2 3.72Å; I1187-F1264 HydrophobicContact CG1-CE2 3.95Å; I1187-F1264 HydrophobicContact CG1-CZ 4.33Å |
| 1188 | H | 94.9 | Very high | 91.3 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 5% | 0.051 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.7 | -44.4 | -176.9 | -168.4 | 57.1 | 0 | 0 | 0 | 112.5 | Y1181 P1183 D1184 A1185 L1191 K1192 F1221 E1224 | Y1181-H1188 AromaticContact CE1-ND1 3.83Å; Y1181-H1188 AromaticContact CZ-ND1 3.8Å; Y1181-H1188 PolarHBondContact OH-ND1 3.46Å; P1183-H1188 HydrophobicContact CB-CB 4.02Å; P1183-H1188 HydrophobicContact CG-CB 3.69Å; D1184-H1188 WeakPolarHBondContact O-CB 3.34Å; D1184-H1188 PolarHBondContact O-N 2.6Å; D1184-H1188 VanDerWaalsContact O-N 3.08Å; A1185-H1188 PolarHBondContact O-N 3.1Å; H1188-L1191 PolarHBondContact O-N 2.9Å; H1188-K1192 VanDerWaalsContact CD2-CE 3.48Å; H1188-K1192 WeakPolarHBondContact CD2-CE 3.28Å; H1188-K1192 PolarHBondContact CD2-NZ 2.88Å; H1188-K1192 WeakPolarHBondContact NE2-CE 3.45Å; H1188-K1192 PolarHBondContact NE2-NZ 2.92Å; H1188-K1192 PolarHBondContact O-N 2.7Å; H1188-K1192 VanDerWaalsContact O-N 3.14Å; H1188-F1221 PolarHBondContact CE1-O 3.49Å; H1188-E1224 IonicContact NE2-OE2 2.93Å |
| 1189 | E | 89.9 | Confident | 91.3 | Very high | 98 Ų | 98 | 34.9 Ų | 34.9 | 46% | 0.458 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -72 | -29.5 | 176.9 | -63.5 | -56 | 127.8 | 0 | 0 | 112.3 | A1185 L1191 K1192 L1193 | A1185-E1189 WeakPolarHBondContact O-CB 3.42Å; A1185-E1189 WeakPolarHBondContact O-CG 3.34Å; A1185-E1189 PolarHBondContact O-N 2.91Å; E1189-L1191 VanDerWaalsContact C-N 3.35Å; E1189-L1191 PolarHBondContact O-N 2.89Å; E1189-K1192 PolarHBondContact O-N 2.84Å; E1189-K1192 WeakPolarHBondContact OE1-CD 3.16Å; E1189-K1192 IonicContact OE1-NZ 2.71Å; E1189-K1192 PolarHBondContact OE1-NZ 2.93Å; E1189-K1192 WeakPolarHBondContact OE2-CD 3.49Å; E1189-L1193 VanDerWaalsContact O-CB 3.31Å; E1189-L1193 WeakPolarHBondContact O-CB 3.19Å; E1189-L1193 PolarHBondContact O-N 3.06Å |
| 1190 | A | 93.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1164 I1167 P1186 I1187 L1193 A1194 | L1164-A1190 HydrophobicContact CD2-CB 4.01Å; I1167-A1190 HydrophobicContact CG2-CB 3.9Å; P1186-A1190 WeakPolarHBondContact O-CB 3.33Å; P1186-A1190 PolarHBondContact O-N 3.31Å; I1187-A1190 PolarHBondContact O-N 2.83Å; A1190-L1193 PolarHBondContact O-N 3.46Å; A1190-A1194 WeakPolarHBondContact O-CB 3.4Å; A1190-A1194 PolarHBondContact O-N 2.79Å |
| 1191 | L | 97.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.4 | -39.7 | 176 | -70.3 | 165 | 0 | 0 | 0 | 112.2 | I1167 I1174 I1176 Y1181 I1187 H1188 E1189 L1193 A1194 L1195 V1201 L1225 | I1167-L1191 HydrophobicContact CD1-CD2 3.94Å; I1167-L1191 HydrophobicContact CD1-CG 4.01Å; I1167-L1191 HydrophobicContact CG1-CD2 4.04Å; I1167-L1191 HydrophobicContact CG2-CD2 4.36Å; I1174-L1191 HydrophobicContact CD1-CD2 4.28Å; I1174-L1191 HydrophobicContact CG2-CD2 4.4Å; I1176-L1191 HydrophobicContact CD1-CD1 4.14Å; I1176-L1191 HydrophobicContact CD1-CD2 3.88Å; Y1181-L1191 HydrophobicContact CE2-CD1 3.97Å; Y1181-L1191 VanDerWaalsContact OH-CD1 3.31Å; Y1181-L1191 WeakPolarHBondContact OH-CD1 3.06Å; I1187-L1191 HydrophobicContact CG2-CD1 4.23Å; I1187-L1191 WeakPolarHBondContact O-CG 3.05Å; I1187-L1191 PolarHBondContact O-N 3.2Å; H1188-L1191 PolarHBondContact O-N 2.9Å; E1189-L1191 VanDerWaalsContact C-N 3.35Å; E1189-L1191 PolarHBondContact O-N 2.89Å; L1191-L1193 VanDerWaalsContact C-N 3.33Å; L1191-L1193 PolarHBondContact O-N 2.98Å; L1191-A1194 PolarHBondContact O-N 3.11Å; L1191-L1195 WeakPolarHBondContact O-CG 3.21Å; L1191-L1195 PolarHBondContact O-N 2.99Å; L1191-V1201 HydrophobicContact CD2-CG1 4.19Å; L1191-V1201 HydrophobicContact CD2-CG2 4.14Å; L1191-L1225 HydrophobicContact CB-CD2 4.48Å |
| 1192 | K | 96.8 | Very high | 92 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -40.4 | 170.6 | -69.9 | 170.1 | -178.5 | 171 | 0 | 112.1 | H1188 E1189 L1195 L1196 L1225 Y1228 | H1188-K1192 VanDerWaalsContact CD2-CE 3.48Å; H1188-K1192 WeakPolarHBondContact CD2-CE 3.28Å; H1188-K1192 PolarHBondContact CD2-NZ 2.88Å; H1188-K1192 WeakPolarHBondContact NE2-CE 3.45Å; H1188-K1192 PolarHBondContact NE2-NZ 2.92Å; H1188-K1192 PolarHBondContact O-N 2.7Å; H1188-K1192 VanDerWaalsContact O-N 3.14Å; E1189-K1192 PolarHBondContact O-N 2.84Å; E1189-K1192 WeakPolarHBondContact OE1-CD 3.16Å; E1189-K1192 IonicContact OE1-NZ 2.71Å; E1189-K1192 PolarHBondContact OE1-NZ 2.93Å; E1189-K1192 WeakPolarHBondContact OE2-CD 3.49Å; K1192-L1195 PolarHBondContact O-N 3.39Å; K1192-L1196 WeakPolarHBondContact O-CB 3.36Å; K1192-L1196 VanDerWaalsContact O-CG 3.26Å; K1192-L1196 WeakPolarHBondContact O-CG 3.27Å; K1192-L1196 PolarHBondContact O-N 2.91Å; K1192-L1225 HydrophobicContact CG-CD2 3.74Å; K1192-Y1228 HydrophobicContact CB-CD1 4.03Å; K1192-Y1228 HydrophobicContact CB-CE1 4Å; K1192-Y1228 HydrophobicContact CB-CG 4.43Å; K1192-Y1228 HydrophobicContact CD-CD2 4.46Å; K1192-Y1228 HydrophobicContact CD-CE1 4.08Å; K1192-Y1228 HydrophobicContact CD-CE2 3.86Å; K1192-Y1228 HydrophobicContact CG-CD1 4.1Å; K1192-Y1228 HydrophobicContact CG-CD2 4.02Å; K1192-Y1228 HydrophobicContact CG-CE1 3.99Å; K1192-Y1228 HydrophobicContact CG-CE2 3.93Å; K1192-Y1228 HydrophobicContact CG-CG 4.12Å |
| 1193 | L | 92.8 | Very high | 92.3 | Very high | 102 Ų | 102 | 41.4 Ų | 41.4 | 53% | 0.534 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67 | -39.6 | 177.4 | -177.8 | 61.1 | 0 | 0 | 0 | 112 | E1189 A1190 L1191 L1196 S1197 | E1189-L1193 VanDerWaalsContact O-CB 3.31Å; E1189-L1193 WeakPolarHBondContact O-CB 3.19Å; E1189-L1193 PolarHBondContact O-N 3.06Å; A1190-L1193 PolarHBondContact O-N 3.46Å; L1191-L1193 VanDerWaalsContact C-N 3.33Å; L1191-L1193 PolarHBondContact O-N 2.98Å; L1193-L1196 PolarHBondContact O-N 3.11Å; L1193-S1197 WeakPolarHBondContact O-CB 3.49Å; L1193-S1197 PolarHBondContact O-N 3.27Å; L1193-S1197 PolarHBondContact O-OG 3.34Å |
| 1194 | A | 92.6 | Very high | 92.7 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1167 I1174 A1190 L1191 L1196 S1197 G1198 V1199 | I1167-A1194 HydrophobicContact CG2-CB 4.29Å; I1174-A1194 HydrophobicContact CD1-CB 3.95Å; A1190-A1194 WeakPolarHBondContact O-CB 3.4Å; A1190-A1194 PolarHBondContact O-N 2.79Å; L1191-A1194 PolarHBondContact O-N 3.11Å; A1194-L1196 PolarHBondContact O-N 2.91Å; A1194-S1197 CarbonylContact O-C 3.38Å; A1194-S1197 WeakPolarHBondContact O-CA 3.48Å; A1194-S1197 WeakPolarHBondContact O-CB 3.3Å; A1194-S1197 PolarHBondContact O-N 2.66Å; A1194-G1198 PolarHBondContact O-N 3.34Å; A1194-V1199 HydrophobicContact CB-CB 4.1Å; A1194-V1199 WeakPolarHBondContact O-CB 3.5Å; A1194-V1199 PolarHBondContact O-N 2.91Å |
| 1195 | L | 97.2 | Very high | 93.4 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 9% | 0.089 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.1 | -49.3 | 174.3 | -73.9 | 162.8 | 0 | 0 | 0 | 112.5 | L1191 K1192 S1197 G1198 V1199 V1201 L1225 A1230 | L1191-L1195 WeakPolarHBondContact O-CG 3.21Å; L1191-L1195 PolarHBondContact O-N 2.99Å; K1192-L1195 PolarHBondContact O-N 3.39Å; L1195-S1197 PolarHBondContact O-N 3.04Å; L1195-G1198 PolarHBondContact O-N 3.14Å; L1195-V1199 WeakPolarHBondContact CA-O 3.5Å; L1195-V1201 HydrophobicContact CD1-CB 4.31Å; L1195-V1201 HydrophobicContact CD1-CG2 4.22Å; L1195-V1201 HydrophobicContact CD2-CB 3.83Å; L1195-V1201 HydrophobicContact CD2-CG2 3.88Å; L1195-V1201 HydrophobicContact CG-CB 4.06Å; L1195-V1201 HydrophobicContact CG-CG2 3.69Å; L1195-L1225 HydrophobicContact CD1-CB 4.28Å; L1195-L1225 HydrophobicContact CD1-CD2 4.43Å; L1195-A1230 HydrophobicContact CD1-CB 3.84Å; L1195-A1230 HydrophobicContact CD2-CB 4.16Å |
| 1196 | L | 93.3 | Very high | 94 | Very high | 99 Ų | 99 | 37.6 Ų | 37.6 | 52% | 0.518 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.4 | -17 | 176.6 | -71.1 | 172.9 | 0 | 0 | 0 | 113.9 | K1192 L1193 A1194 Y1228 | K1192-L1196 WeakPolarHBondContact O-CB 3.36Å; K1192-L1196 VanDerWaalsContact O-CG 3.26Å; K1192-L1196 WeakPolarHBondContact O-CG 3.27Å; K1192-L1196 PolarHBondContact O-N 2.91Å; L1193-L1196 PolarHBondContact O-N 3.11Å; A1194-L1196 PolarHBondContact O-N 2.91Å; L1196-Y1228 HydrophobicContact CD1-CD1 4.05Å; L1196-Y1228 HydrophobicContact CD1-CE1 4.11Å; L1196-Y1228 HydrophobicContact CD2-CD1 4.17Å; L1196-Y1228 HydrophobicContact CG-CD1 3.96Å |
| 1197 | S | 88.4 | Confident | 94.3 | Very high | 86 Ų | 86 | 37.1 Ų | 37.1 | 60% | 0.601 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -0.6 | 173.9 | -55.6 | 0 | 0 | 0 | 0 | 113 | L1193 A1194 L1195 | L1193-S1197 WeakPolarHBondContact O-CB 3.49Å; L1193-S1197 PolarHBondContact O-N 3.27Å; L1193-S1197 PolarHBondContact O-OG 3.34Å; A1194-S1197 CarbonylContact O-C 3.38Å; A1194-S1197 WeakPolarHBondContact O-CA 3.48Å; A1194-S1197 WeakPolarHBondContact O-CB 3.3Å; A1194-S1197 PolarHBondContact O-N 2.66Å; L1195-S1197 PolarHBondContact O-N 3.04Å |
| 1198 | G | 89.4 | Confident | 93.9 | Very high | 59 Ų | 59 | 40.8 Ų | 40.8 | 61% | 0.608 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | 6.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1194 L1195 | A1194-G1198 PolarHBondContact O-N 3.34Å; L1195-G1198 PolarHBondContact O-N 3.14Å |
| 1199 | V | 96.5 | Very high | 92.9 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -79.4 | 126.3 | 173.7 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | A1170 I1174 A1194 L1195 V1201 | A1170-V1199 HydrophobicContact CB-CG1 3.82Å; I1174-V1199 HydrophobicContact CD1-CG1 4.15Å; I1174-V1199 HydrophobicContact CG1-CG1 3.87Å; A1194-V1199 HydrophobicContact CB-CB 4.1Å; A1194-V1199 WeakPolarHBondContact O-CB 3.5Å; A1194-V1199 PolarHBondContact O-N 2.91Å; L1195-V1199 WeakPolarHBondContact CA-O 3.5Å; V1199-V1201 PolarHBondContact O-N 3.08Å |
| 1200 | K | 96.3 | Very high | 92.2 | Very high | 144 Ų | 144 | 40.5 Ų | 40.5 | 63% | 0.626 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 117.5 | -179.8 | -61.6 | 175.8 | -176.4 | 174.9 | 0 | 110.5 | K1172 E1173 I1174 | K1172-K1200 PolarHBondContact O-N 3.38Å; E1173-K1200 CarbonylContact C-O 3.18Å; E1173-K1200 VanDerWaalsContact CA-O 3.27Å; E1173-K1200 WeakPolarHBondContact CA-O 3.29Å; E1173-K1200 HydrophobicContact CB-CB 4.38Å; I1174-K1200 PolarHBondContact N-O 3.46Å |
| 1201 | V | 98.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 124.4 | 168.6 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | I1174 I1176 L1191 L1195 V1199 A1230 I1231 | I1174-V1201 HydrophobicContact CB-CG2 4.3Å; I1174-V1201 HydrophobicContact CD1-CG2 4.34Å; I1174-V1201 WeakPolarHBondContact O-CA 3.47Å; I1176-V1201 HydrophobicContact CD1-CG1 4.35Å; L1191-V1201 HydrophobicContact CD2-CG1 4.19Å; L1191-V1201 HydrophobicContact CD2-CG2 4.14Å; L1195-V1201 HydrophobicContact CD1-CB 4.31Å; L1195-V1201 HydrophobicContact CD1-CG2 4.22Å; L1195-V1201 HydrophobicContact CD2-CB 3.83Å; L1195-V1201 HydrophobicContact CD2-CG2 3.88Å; L1195-V1201 HydrophobicContact CG-CB 4.06Å; L1195-V1201 HydrophobicContact CG-CG2 3.69Å; V1199-V1201 PolarHBondContact O-N 3.08Å; V1201-A1230 HydrophobicContact CB-CB 4.43Å; V1201-A1230 WeakPolarHBondContact O-CA 3.27Å; V1201-I1231 PolarHBondContact O-N 3.29Å |
| 1202 | R | 98.1 | Very high | 90.5 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 22% | 0.219 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132 | 169.3 | -173.9 | -175.9 | -65.8 | -116.9 | 10.7 | 109.1 | I1174 L1175 I1176 I1231 E1233 F1287 | I1174-R1202 PolarHBondContact O-N 3.42Å; L1175-R1202 WeakPolarHBondContact CA-O 3.42Å; L1175-R1202 HydrophobicContact CD2-CB 3.81Å; I1176-R1202 PolarHBondContact N-O 2.94Å; R1202-I1231 CarbonylContact C-O 3.34Å; R1202-I1231 VanDerWaalsContact CA-O 3.27Å; R1202-I1231 WeakPolarHBondContact CA-O 3.4Å; R1202-I1231 HydrophobicContact CB-CB 4.2Å; R1202-I1231 HydrophobicContact CG-CB 3.94Å; R1202-I1231 HydrophobicContact CG-CG2 3.92Å; R1202-E1233 VanDerWaalsContact CD-OE1 3.3Å; R1202-E1233 WeakPolarHBondContact CD-OE1 3.49Å; R1202-E1233 IonicContact CZ-OE1 3.61Å; R1202-E1233 IonicContact NE-OE1 2.68Å; R1202-E1233 IonicContact NH1-OE1 2.7Å; R1202-E1233 PolarHBondContact NH1-OE1 2.69Å; R1202-F1287 HydrophobicContact CB-CZ 4.47Å; R1202-F1287 VanDerWaalsContact CD-CE1 3.46Å; R1202-F1287 HydrophobicContact CG-CE1 3.96Å; R1202-F1287 HydrophobicContact CG-CZ 3.96Å |
| 1203 | M | 98.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 131.3 | -174.2 | -173 | -175.7 | -66.6 | 0 | 0 | 111.1 | I1176 Y1181 I1205 A1222 L1225 I1231 I1232 E1233 | I1176-M1203 HydrophobicContact CB-CB 4.35Å; I1176-M1203 HydrophobicContact CB-CG 4.1Å; I1176-M1203 HydrophobicContact CD1-CE 4.04Å; I1176-M1203 HydrophobicContact CG2-CE 4.36Å; I1176-M1203 HydrophobicContact CG2-CG 4.03Å; I1176-M1203 CarbonylContact O-C 3.55Å; I1176-M1203 VanDerWaalsContact O-CA 3.26Å; I1176-M1203 WeakPolarHBondContact O-CA 3.47Å; Y1181-M1203 HydrophobicContact CD1-CE 4.31Å; Y1181-M1203 HydrophobicContact CD1-SD 4.17Å; Y1181-M1203 HydrophobicContact CD2-CE 3.6Å; Y1181-M1203 HydrophobicContact CD2-SD 3.91Å; Y1181-M1203 HydrophobicContact CE1-CE 4.17Å; Y1181-M1203 HydrophobicContact CE2-CE 3.45Å; Y1181-M1203 VanDerWaalsContact CE2-CE 3.45Å; Y1181-M1203 HydrophobicContact CE2-SD 4.34Å; Y1181-M1203 HydrophobicContact CG-CE 4.05Å; Y1181-M1203 HydrophobicContact CG-SD 3.84Å; M1203-I1205 HydrophobicContact CG-CG2 4.18Å; M1203-I1205 HydrophobicContact SD-CG2 4.12Å; M1203-A1222 HydrophobicContact SD-CB 4Å; M1203-L1225 HydrophobicContact CE-CD1 3.89Å; M1203-I1231 PolarHBondContact N-O 3.42Å; M1203-I1232 HydrophobicContact CB-CD1 3.82Å; M1203-I1232 WeakPolarHBondContact O-CA 3.43Å; M1203-I1232 HydrophobicContact SD-CD1 4.43Å; M1203-E1233 PolarHBondContact O-N 3.16Å |
| 1204 | Q | 97.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.5 | 171.5 | -76.3 | 166.5 | -2.1 | 0 | 0 | 110.1 | I1176 Q1177 T1178 E1233 I1240 F1287 S1291 | I1176-Q1204 PolarHBondContact O-N 3.25Å; Q1177-Q1204 HydrophobicContact CG-CB 4.42Å; T1178-Q1204 PolarHBondContact N-O 3.08Å; Q1204-E1233 WeakPolarHBondContact CA-O 3.22Å; Q1204-E1233 HydrophobicContact CG-CB 3.77Å; Q1204-E1233 WeakPolarHBondContact CG-OE2 3.45Å; Q1204-E1233 PolarHBondContact NE2-OE2 2.79Å; Q1204-I1240 HydrophobicContact CB-CD1 4.1Å; Q1204-F1287 HydrophobicContact CB-CZ 4.43Å; Q1204-F1287 VanDerWaalsContact CD-CZ 3.5Å; Q1204-F1287 HydrophobicContact CG-CE1 4.22Å; Q1204-F1287 HydrophobicContact CG-CE2 4.24Å; Q1204-F1287 HydrophobicContact CG-CZ 3.75Å; Q1204-F1287 PolarHBondContact NE2-O 3.34Å; Q1204-S1291 VanDerWaalsContact NE2-CA 3.3Å; Q1204-S1291 VanDerWaalsContact NE2-N 3.18Å |
| 1205 | I | 96.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 154.1 | 176.8 | 57.6 | 170 | 0 | 0 | 0 | 109.6 | M1203 T1218 Y1219 A1222 I1232 E1233 T1234 Y1235 | M1203-I1205 HydrophobicContact CG-CG2 4.18Å; M1203-I1205 HydrophobicContact SD-CG2 4.12Å; I1205-T1218 HydrophobicContact CB-CG2 4.15Å; I1205-T1218 HydrophobicContact CD1-CG2 4.41Å; I1205-T1218 HydrophobicContact CG2-CG2 3.88Å; I1205-Y1219 HydrophobicContact CD1-CD2 4.34Å; I1205-A1222 HydrophobicContact CD1-CB 4.08Å; I1205-I1232 HydrophobicContact CD1-CG2 4.06Å; I1205-I1232 HydrophobicContact CG1-CG2 4.28Å; I1205-E1233 WeakPolarHBondContact CG1-O 3.45Å; I1205-E1233 PolarHBondContact N-O 3.3Å; I1205-T1234 HydrophobicContact CD1-CG2 4.44Å; I1205-T1234 HydrophobicContact CG1-CG2 4.28Å; I1205-T1234 CarbonylContact O-C 3.53Å; I1205-T1234 WeakPolarHBondContact O-CA 3.41Å; I1205-Y1235 PolarHBondContact O-N 3.12Å |
| 1206 | P | 93.2 | Very high | 88.3 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.032 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 136.2 | -179.9 | 27 | -34.2 | 0 | 0 | 0 | 112.1 | P1179 Y1215 F1239 I1240 | P1179-P1206 WeakPolarHBondContact O-CD 3.46Å; P1179-P1206 WeakPolarHBondContact O-CG 3.37Å; P1206-Y1215 WeakPolarHBondContact O-CE2 3.25Å; P1206-F1239 HydrophobicContact CB-CD2 3.51Å; P1206-F1239 HydrophobicContact CB-CE2 3.53Å; P1206-F1239 HydrophobicContact CB-CG 4.49Å; P1206-F1239 HydrophobicContact CG-CD2 4.16Å; P1206-F1239 HydrophobicContact CG-CE2 3.63Å; P1206-F1239 HydrophobicContact CG-CZ 4.33Å; P1206-I1240 HydrophobicContact CB-CG2 4.06Å |
| 1207 | N | 88.3 | Confident | 87.9 | Confident | 53 Ų | 53 | 45.6 Ų | 45.6 | 28% | 0.283 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -77.7 | -36.1 | 168.9 | -160.8 | 13.2 | 0 | 0 | 0 | 112.2 | P1209 Y1215 Y1235 E1236 | N1207-P1209 WeakPolarHBondContact O-CD 3.33Å; N1207-Y1215 WeakPolarHBondContact O-CE2 3.22Å; N1207-Y1215 PolarHBondContact O-OH 3.5Å; N1207-Y1215 PolarHBondContact OD1-OH 3.36Å; N1207-Y1235 WeakPolarHBondContact CB-O 3.31Å; N1207-Y1235 PolarHBondContact N-O 2.69Å; N1207-E1236 WeakPolarHBondContact CB-OE1 3.39Å; N1207-E1236 VanDerWaalsContact ND2-CD 3.3Å; N1207-E1236 PolarHBondContact ND2-OE1 3.34Å; N1207-E1236 VanDerWaalsContact ND2-OE1 3.09Å; N1207-E1236 PolarHBondContact ND2-OE2 2.89Å |
| 1208 | K | 81.6 | Confident | 88.1 | Confident | 76 Ų | 76 | 41.7 Ų | 41.7 | 33% | 0.33 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -79.4 | 123.5 | 174.5 | -70.2 | -172.4 | -179.9 | -174.3 | 0 | 110.7 | F1093 F1239 | F1093-K1208 VanDerWaalsContact O-CD 3.23Å; F1093-K1208 WeakPolarHBondContact O-CD 3.49Å; F1093-K1208 PolarHBondContact O-NZ 2.86Å; K1208-F1239 VanDerWaalsContact O-CD2 3.24Å; K1208-F1239 WeakPolarHBondContact O-CD2 3.45Å; K1208-F1239 WeakPolarHBondContact O-CE2 3.03Å |
| 1209 | P | 74.6 | Confident | 88.2 | Confident | 52 Ų | 52 | 40.3 Ų | 40.3 | 34% | 0.338 | 19% | 0.194 | S | C | . | . | trans | -75.8 | 131.4 | 172.9 | 29.7 | -34.1 | 0 | 0 | 0 | 111.8 | N1207 Y1215 | N1207-P1209 WeakPolarHBondContact O-CD 3.33Å; P1209-Y1215 HydrophobicContact CB-CD1 4.45Å; P1209-Y1215 HydrophobicContact CB-CD2 4.18Å; P1209-Y1215 HydrophobicContact CB-CG 3.86Å | ||
| 1210 | D | 75.4 | Confident | 87.9 | Confident | 51 Ų | 51 | 40.1 Ų | 40.1 | 27% | 0.273 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -70.9 | -45.3 | 157.5 | 73.2 | -55.3 | 0 | 0 | 0 | 109.9 | K1092 F1093 Y1180 F1239 | K1092-D1210 PolarHBondContact NZ-O 3.05Å; F1093-D1210 HydrophobicContact CE1-CB 3.91Å; Y1180-D1210 WeakPolarHBondContact CE1-OD1 3.46Å; Y1180-D1210 PolarHBondContact OH-OD2 3.44Å; D1210-F1239 HydrophobicContact CB-CE2 4.11Å; D1210-F1239 HydrophobicContact CB-CZ 3.92Å |
| 1211 | H | 77.7 | Confident | 87.7 | Confident | 102 Ų | 102 | 34.8 Ų | 34.8 | 47% | 0.472 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -135 | 115.5 | -177.4 | -173.2 | -103.7 | 0 | 0 | 0 | 111.4 | L1213 V1214 Y1215 | H1211-L1213 PolarHBondContact O-N 3.48Å; H1211-V1214 WeakPolarHBondContact ND1-CG2 3.34Å; H1211-V1214 PolarHBondContact O-N 3.49Å; H1211-V1214 VanDerWaalsContact O-N 3.16Å; H1211-Y1215 PolarHBondContact O-N 3.37Å |
| 1212 | I | 77.2 | Confident | 87.4 | Confident | 112 Ų | 112 | 34.7 Ų | 34.7 | 57% | 0.574 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -59.5 | -39.3 | -164.1 | -60.2 | 172.2 | 0 | 0 | 0 | 113.3 | W1216 | I1212-W1216 PolarHBondContact O-N 2.86Å |
| 1213 | L | 75.9 | Confident | 87.1 | Confident | 53 Ų | 53 | 32 Ų | 32 | 28% | 0.277 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -66.9 | -40.6 | -178.5 | -166.5 | 80.9 | 0 | 0 | 0 | 112.2 | H1211 W1216 A1217 A1316 L1319 L1320 | H1211-L1213 PolarHBondContact O-N 3.48Å; L1213-W1216 PolarHBondContact O-N 3.18Å; L1213-A1217 PolarHBondContact O-N 2.99Å; L1213-A1316 HydrophobicContact CD1-CB 4.14Å; L1213-A1316 HydrophobicContact CG-CB 4.38Å; L1213-A1316 WeakPolarHBondContact O-CB 3.26Å; L1213-L1319 HydrophobicContact CD1-CD1 4.09Å; L1213-L1320 HydrophobicContact CD2-CD2 4.31Å; L1213-L1320 HydrophobicContact CD2-CG 4.12Å |
| 1214 | V | 80.5 | Confident | 86.8 | Confident | 28 Ų | 28 | 34.5 Ų | 34.5 | 17% | 0.17 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.5 | -36.5 | -175.6 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | Y1180 I1182 H1211 A1217 T1218 | Y1180-V1214 HydrophobicContact CD1-CG1 3.27Å; Y1180-V1214 HydrophobicContact CE1-CG1 3.94Å; Y1180-V1214 HydrophobicContact CG-CG1 3.69Å; I1182-V1214 HydrophobicContact CD1-CB 4.48Å; I1182-V1214 HydrophobicContact CD1-CG1 3.93Å; H1211-V1214 WeakPolarHBondContact ND1-CG2 3.34Å; H1211-V1214 PolarHBondContact O-N 3.49Å; H1211-V1214 VanDerWaalsContact O-N 3.16Å; V1214-A1217 PolarHBondContact O-N 2.84Å; V1214-T1218 VanDerWaalsContact O-CB 3.27Å; V1214-T1218 WeakPolarHBondContact O-CB 3.37Å; V1214-T1218 PolarHBondContact O-N 2.95Å; V1214-T1218 PolarHBondContact O-OG1 3.45Å |
| 1215 | Y | 88.3 | Confident | 86.8 | Confident | 30 Ų | 30 | 34.5 Ų | 34.5 | 12% | 0.118 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.5 | -51.3 | 171.2 | 170.7 | -94.4 | 0 | 0 | 0 | 113 | P1206 N1207 P1209 H1211 A1217 T1218 Y1219 | P1206-Y1215 WeakPolarHBondContact O-CE2 3.25Å; N1207-Y1215 WeakPolarHBondContact O-CE2 3.22Å; N1207-Y1215 PolarHBondContact O-OH 3.5Å; N1207-Y1215 PolarHBondContact OD1-OH 3.36Å; P1209-Y1215 HydrophobicContact CB-CD1 4.45Å; P1209-Y1215 HydrophobicContact CB-CD2 4.18Å; P1209-Y1215 HydrophobicContact CB-CG 3.86Å; H1211-Y1215 PolarHBondContact O-N 3.37Å; Y1215-A1217 VanDerWaalsContact C-N 3.25Å; Y1215-A1217 PolarHBondContact O-N 3.23Å; Y1215-T1218 PolarHBondContact O-N 3.39Å; Y1215-Y1219 VanDerWaalsContact O-CB 3.29Å; Y1215-Y1219 WeakPolarHBondContact O-CB 3.35Å; Y1215-Y1219 PolarHBondContact O-N 3.49Å |
| 1216 | W | 89.7 | Confident | 86.6 | Confident | 36 Ų | 36 | 35.5 Ų | 35.5 | 14% | 0.136 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.8 | -28.3 | -179 | -67.9 | 113.6 | 0 | 0 | 0 | 113.1 | I1212 L1213 S1220 I1309 K1312 E1313 A1316 | I1212-W1216 PolarHBondContact O-N 2.86Å; L1213-W1216 PolarHBondContact O-N 3.18Å; W1216-S1220 VanDerWaalsContact O-CB 3.31Å; W1216-S1220 WeakPolarHBondContact O-CB 3.04Å; W1216-S1220 PolarHBondContact O-N 3.49Å; W1216-I1309 HydrophobicContact CE3-CG2 4.08Å; W1216-I1309 HydrophobicContact CH2-CD1 4.47Å; W1216-I1309 HydrophobicContact CH2-CG1 4.06Å; W1216-I1309 HydrophobicContact CH2-CG2 4.15Å; W1216-I1309 HydrophobicContact CZ3-CB 4.41Å; W1216-I1309 HydrophobicContact CZ3-CG1 4.28Å; W1216-I1309 HydrophobicContact CZ3-CG2 3.5Å; W1216-K1312 HydrophobicContact CD2-CB 4.09Å; W1216-K1312 HydrophobicContact CD2-CD 4.44Å; W1216-K1312 HydrophobicContact CG-CB 3.98Å; W1216-K1312 HydrophobicContact CZ2-CD 4.07Å; W1216-E1313 HydrophobicContact CE3-CG 4.17Å; W1216-A1316 HydrophobicContact CB-CB 3.78Å |
| 1217 | A | 84.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.2 | -49.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1182 L1213 V1214 Y1215 Y1219 S1220 F1221 A1316 L1320 | I1182-A1217 HydrophobicContact CD1-CB 3.96Å; I1182-A1217 HydrophobicContact CG1-CB 4.01Å; L1213-A1217 PolarHBondContact O-N 2.99Å; V1214-A1217 PolarHBondContact O-N 2.84Å; Y1215-A1217 VanDerWaalsContact C-N 3.25Å; Y1215-A1217 PolarHBondContact O-N 3.23Å; A1217-Y1219 PolarHBondContact O-N 2.95Å; A1217-S1220 PolarHBondContact O-N 3.19Å; A1217-S1220 VanDerWaalsContact O-N 3.14Å; A1217-F1221 WeakPolarHBondContact O-CD2 3.15Å; A1217-F1221 PolarHBondContact O-N 3.44Å; A1217-A1316 HydrophobicContact CB-CB 4.19Å; A1217-L1320 HydrophobicContact CB-CD1 3.31Å |
| 1218 | T | 91.6 | Very high | 86.7 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.7 | -49.9 | 177.1 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | Y1180 Y1181 I1205 V1214 Y1215 S1220 F1221 A1222 | Y1180-T1218 WeakPolarHBondContact CA-OG1 3.4Å; Y1181-T1218 PolarHBondContact N-OG1 2.77Å; Y1181-T1218 VanDerWaalsContact N-OG1 3.1Å; Y1181-T1218 WeakPolarHBondContact O-CA 3.21Å; I1205-T1218 HydrophobicContact CB-CG2 4.15Å; I1205-T1218 HydrophobicContact CD1-CG2 4.41Å; I1205-T1218 HydrophobicContact CG2-CG2 3.88Å; V1214-T1218 VanDerWaalsContact O-CB 3.27Å; V1214-T1218 WeakPolarHBondContact O-CB 3.37Å; V1214-T1218 PolarHBondContact O-N 2.95Å; V1214-T1218 PolarHBondContact O-OG1 3.45Å; Y1215-T1218 PolarHBondContact O-N 3.39Å; T1218-S1220 PolarHBondContact O-N 3.02Å; T1218-F1221 PolarHBondContact O-N 3.04Å; T1218-A1222 VanDerWaalsContact O-CB 3.22Å; T1218-A1222 WeakPolarHBondContact O-CB 3.06Å; T1218-A1222 PolarHBondContact O-N 3.44Å |
| 1219 | Y | 91.5 | Very high | 87.1 | Confident | 31 Ų | 31 | 42.8 Ų | 42.8 | 12% | 0.122 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.1 | -44.9 | 176.4 | -169.4 | -101.2 | 0 | 0 | 0 | 111.6 | I1205 Y1215 A1217 A1223 T1234 L1297 Y1302 | I1205-Y1219 HydrophobicContact CD1-CD2 4.34Å; Y1215-Y1219 VanDerWaalsContact O-CB 3.29Å; Y1215-Y1219 WeakPolarHBondContact O-CB 3.35Å; Y1215-Y1219 PolarHBondContact O-N 3.49Å; A1217-Y1219 PolarHBondContact O-N 2.95Å; Y1219-A1223 WeakPolarHBondContact O-CB 3.45Å; Y1219-A1223 PolarHBondContact O-N 3.21Å; Y1219-T1234 HydrophobicContact CE2-CG2 4.41Å; Y1219-L1297 HydrophobicContact CD2-CD2 4.34Å; Y1219-L1297 HydrophobicContact CE2-CD1 4.17Å; Y1219-L1297 HydrophobicContact CE2-CD2 3.78Å; Y1219-L1297 VanDerWaalsContact OH-CD1 3.31Å; Y1219-L1297 WeakPolarHBondContact OH-CD1 3.43Å; Y1219-Y1302 HydrophobicContact CD1-CD2 4.36Å; Y1219-Y1302 AromaticContact CD1-CE2 4Å; Y1219-Y1302 HydrophobicContact CD1-CE2 4Å; Y1219-Y1302 AromaticContact CE1-CD2 3.67Å; Y1219-Y1302 HydrophobicContact CE1-CD2 3.67Å; Y1219-Y1302 AromaticContact CE1-CE2 3.74Å; Y1219-Y1302 HydrophobicContact CE1-CE2 3.74Å |
| 1220 | S | 89.8 | Confident | 88.2 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.3 | -39.7 | 179.3 | -176.2 | 0 | 0 | 0 | 0 | 113.9 | W1216 A1217 T1218 E1224 | W1216-S1220 VanDerWaalsContact O-CB 3.31Å; W1216-S1220 WeakPolarHBondContact O-CB 3.04Å; W1216-S1220 PolarHBondContact O-N 3.49Å; A1217-S1220 PolarHBondContact O-N 3.19Å; A1217-S1220 VanDerWaalsContact O-N 3.14Å; T1218-S1220 PolarHBondContact O-N 3.02Å; S1220-E1224 PolarHBondContact O-N 2.89Å |
| 1221 | F | 92.8 | Very high | 89.3 | Confident | 32 Ų | 32 | 40.8 Ų | 40.8 | 14% | 0.14 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -76.4 | -36.3 | 179.5 | -81.6 | -70.2 | 0 | 0 | 0 | 112.2 | Y1181 I1182 H1188 A1217 T1218 E1224 R1317 | Y1181-F1221 HydrophobicContact CD1-CB 3.73Å; Y1181-F1221 HydrophobicContact CE1-CB 3.97Å; Y1181-F1221 WeakPolarHBondContact O-CB 3.23Å; I1182-F1221 HydrophobicContact CG2-CD2 4.38Å; I1182-F1221 HydrophobicContact CG2-CE2 4.05Å; H1188-F1221 PolarHBondContact CE1-O 3.49Å; A1217-F1221 WeakPolarHBondContact O-CD2 3.15Å; A1217-F1221 PolarHBondContact O-N 3.44Å; T1218-F1221 PolarHBondContact O-N 3.04Å; F1221-E1224 PolarHBondContact O-N 3.12Å; F1221-R1317 HydrophobicContact CE2-CG 4.31Å |
| 1222 | A | 92.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.8 | -42.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y1181 M1203 I1205 T1218 E1224 L1225 I1232 | Y1181-A1222 HydrophobicContact CD1-CB 4.08Å; M1203-A1222 HydrophobicContact SD-CB 4Å; I1205-A1222 HydrophobicContact CD1-CB 4.08Å; T1218-A1222 VanDerWaalsContact O-CB 3.22Å; T1218-A1222 WeakPolarHBondContact O-CB 3.06Å; T1218-A1222 PolarHBondContact O-N 3.44Å; A1222-E1224 VanDerWaalsContact C-N 3.29Å; A1222-E1224 PolarHBondContact O-N 3.09Å; A1222-L1225 WeakPolarHBondContact O-CB 3.49Å; A1222-L1225 PolarHBondContact O-N 3.43Å; A1222-I1232 HydrophobicContact CB-CD1 4.36Å; A1222-I1232 HydrophobicContact CB-CG2 4.03Å |
| 1223 | A | 90.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.9 | -26.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y1219 L1225 L1226 L1297 Y1302 | Y1219-A1223 WeakPolarHBondContact O-CB 3.45Å; Y1219-A1223 PolarHBondContact O-N 3.21Å; A1223-L1225 PolarHBondContact O-N 2.88Å; A1223-L1225 VanDerWaalsContact O-N 3.16Å; A1223-L1226 HydrophobicContact CB-CD1 3.96Å; A1223-L1226 VanDerWaalsContact O-CB 3.27Å; A1223-L1226 WeakPolarHBondContact O-CB 3.38Å; A1223-L1226 WeakPolarHBondContact O-CG 3.46Å; A1223-L1226 PolarHBondContact O-N 2.84Å; A1223-L1297 HydrophobicContact CB-CD2 4.29Å; A1223-Y1302 HydrophobicContact CB-CD1 3.87Å; A1223-Y1302 HydrophobicContact CB-CD2 3.69Å; A1223-Y1302 HydrophobicContact CB-CE1 3.55Å; A1223-Y1302 HydrophobicContact CB-CE2 3.39Å; A1223-Y1302 HydrophobicContact CB-CG 3.92Å |
| 1224 | E | 92.5 | Very high | 92.1 | Very high | 54 Ų | 54 | 29 Ų | 29 | 25% | 0.252 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.3 | 171.9 | -80.6 | -175.6 | -179.9 | 0 | 0 | 113.4 | H1188 S1220 F1221 A1222 Y1228 R1317 | H1188-E1224 IonicContact NE2-OE2 2.93Å; S1220-E1224 PolarHBondContact O-N 2.89Å; F1221-E1224 PolarHBondContact O-N 3.12Å; A1222-E1224 VanDerWaalsContact C-N 3.29Å; A1222-E1224 PolarHBondContact O-N 3.09Å; E1224-Y1228 VanDerWaalsContact O-CD2 3.22Å; E1224-Y1228 WeakPolarHBondContact O-CD2 3.38Å; E1224-Y1228 WeakPolarHBondContact O-CE2 3.31Å; E1224-R1317 IonicContact OE1-CZ 3.2Å; E1224-R1317 IonicContact OE1-NH1 2.73Å; E1224-R1317 PolarHBondContact OE1-NH1 2.76Å; E1224-R1317 IonicContact OE1-NH2 3.91Å; E1224-R1317 PolarHBondContact OE1-NH2 2.89Å; E1224-R1317 IonicContact OE2-NH2 2.68Å; E1224-R1317 PolarHBondContact OE2-NH2 2.8Å |
| 1225 | L | 96.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -14.8 | 174.5 | -56.9 | 179.7 | 0 | 0 | 0 | 113.4 | Y1181 L1191 K1192 L1195 M1203 A1222 A1223 E1227 Y1228 G1229 A1230 I1232 | Y1181-L1225 HydrophobicContact CE1-CD1 4.24Å; L1191-L1225 HydrophobicContact CB-CD2 4.48Å; K1192-L1225 HydrophobicContact CG-CD2 3.74Å; L1195-L1225 HydrophobicContact CD1-CB 4.28Å; L1195-L1225 HydrophobicContact CD1-CD2 4.43Å; M1203-L1225 HydrophobicContact CE-CD1 3.89Å; A1222-L1225 WeakPolarHBondContact O-CB 3.49Å; A1222-L1225 PolarHBondContact O-N 3.43Å; A1223-L1225 PolarHBondContact O-N 2.88Å; A1223-L1225 VanDerWaalsContact O-N 3.16Å; L1225-E1227 VanDerWaalsContact C-N 3.33Å; L1225-E1227 PolarHBondContact O-N 3.44Å; L1225-Y1228 PolarHBondContact O-N 3.34Å; L1225-Y1228 VanDerWaalsContact O-N 3.13Å; L1225-G1229 PolarHBondContact O-N 3.22Å; L1225-A1230 HydrophobicContact CB-CB 3.54Å; L1225-A1230 VanDerWaalsContact O-CB 3.28Å; L1225-A1230 WeakPolarHBondContact O-CB 3.45Å; L1225-A1230 PolarHBondContact O-N 2.91Å; L1225-I1232 HydrophobicContact CB-CD1 4.46Å |
| 1226 | L | 93.3 | Very high | 93.1 | Very high | 21 Ų | 21 | 29.7 Ų | 29.7 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -62.1 | -40.2 | 178.2 | -66 | 167.9 | 0 | 0 | 0 | 111.5 | A1223 Y1228 G1229 I1232 L1297 | A1223-L1226 HydrophobicContact CB-CD1 3.96Å; A1223-L1226 VanDerWaalsContact O-CB 3.27Å; A1223-L1226 WeakPolarHBondContact O-CB 3.38Å; A1223-L1226 WeakPolarHBondContact O-CG 3.46Å; A1223-L1226 PolarHBondContact O-N 2.84Å; L1226-Y1228 PolarHBondContact O-N 3.05Å; L1226-G1229 PolarHBondContact O-N 2.96Å; L1226-I1232 HydrophobicContact CD2-CB 4.02Å; L1226-I1232 HydrophobicContact CD2-CG1 3.64Å; L1226-I1232 HydrophobicContact CG-CG1 3.99Å; L1226-L1297 HydrophobicContact CD1-CD2 4.16Å; L1226-L1297 HydrophobicContact CD1-CG 4.04Å; L1226-L1297 WeakPolarHBondContact CD2-O 3.3Å |
| 1227 | E | 89.4 | Confident | 93.2 | Very high | 146 Ų | 146 | 31.4 Ų | 31.4 | 68% | 0.682 | 16% | 0.164 | S | C | * | . | G | 310 helix | trans | -61.2 | -23.6 | 176.8 | -62.3 | -173.2 | -174.2 | 0 | 0 | 113 | L1225 | L1225-E1227 VanDerWaalsContact C-N 3.33Å; L1225-E1227 PolarHBondContact O-N 3.44Å |
| 1228 | Y | 93.9 | Very high | 93.4 | Very high | 85 Ų | 85 | 31.6 Ų | 31.6 | 33% | 0.333 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -94.5 | -1.6 | 177 | -60.7 | -98.7 | 0 | 0 | 0 | 112.7 | K1192 L1196 E1224 L1225 L1226 | K1192-Y1228 HydrophobicContact CB-CD1 4.03Å; K1192-Y1228 HydrophobicContact CB-CE1 4Å; K1192-Y1228 HydrophobicContact CB-CG 4.43Å; K1192-Y1228 HydrophobicContact CD-CD2 4.46Å; K1192-Y1228 HydrophobicContact CD-CE1 4.08Å; K1192-Y1228 HydrophobicContact CD-CE2 3.86Å; K1192-Y1228 HydrophobicContact CG-CD1 4.1Å; K1192-Y1228 HydrophobicContact CG-CD2 4.02Å; K1192-Y1228 HydrophobicContact CG-CE1 3.99Å; K1192-Y1228 HydrophobicContact CG-CE2 3.93Å; K1192-Y1228 HydrophobicContact CG-CG 4.12Å; L1196-Y1228 HydrophobicContact CD1-CD1 4.05Å; L1196-Y1228 HydrophobicContact CD1-CE1 4.11Å; L1196-Y1228 HydrophobicContact CD2-CD1 4.17Å; L1196-Y1228 HydrophobicContact CG-CD1 3.96Å; E1224-Y1228 VanDerWaalsContact O-CD2 3.22Å; E1224-Y1228 WeakPolarHBondContact O-CD2 3.38Å; E1224-Y1228 WeakPolarHBondContact O-CE2 3.31Å; L1225-Y1228 PolarHBondContact O-N 3.34Å; L1225-Y1228 VanDerWaalsContact O-N 3.13Å; L1226-Y1228 PolarHBondContact O-N 3.05Å |
| 1229 | G | 90.9 | Very high | 93.5 | Very high | 56 Ų | 56 | 31.5 Ų | 31.5 | 58% | 0.577 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | 18.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1225 L1226 | L1225-G1229 PolarHBondContact O-N 3.22Å; L1226-G1229 PolarHBondContact O-N 2.96Å |
| 1230 | A | 97.2 | Very high | 93.6 | Very high | 8 Ų | 8 | 30 Ų | 30 | 7% | 0.066 | 16% | 0.16 | C | C | . | . | trans | -68 | 154.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1195 V1201 L1225 I1232 | L1195-A1230 HydrophobicContact CD1-CB 3.84Å; L1195-A1230 HydrophobicContact CD2-CB 4.16Å; V1201-A1230 HydrophobicContact CB-CB 4.43Å; V1201-A1230 WeakPolarHBondContact O-CA 3.27Å; L1225-A1230 HydrophobicContact CB-CB 3.54Å; L1225-A1230 VanDerWaalsContact O-CB 3.28Å; L1225-A1230 WeakPolarHBondContact O-CB 3.45Å; L1225-A1230 PolarHBondContact O-N 2.91Å; A1230-I1232 HydrophobicContact CB-CD1 4.01Å | ||
| 1231 | I | 97.4 | Very high | 93.7 | Very high | 54 Ų | 54 | 30.4 Ų | 30.4 | 28% | 0.277 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 107 | 173.4 | -58.4 | 176.8 | 0 | 0 | 0 | 107.4 | V1201 R1202 M1203 L1296 | V1201-I1231 PolarHBondContact O-N 3.29Å; R1202-I1231 CarbonylContact C-O 3.34Å; R1202-I1231 VanDerWaalsContact CA-O 3.27Å; R1202-I1231 WeakPolarHBondContact CA-O 3.4Å; R1202-I1231 HydrophobicContact CB-CB 4.2Å; R1202-I1231 HydrophobicContact CG-CB 3.94Å; R1202-I1231 HydrophobicContact CG-CG2 3.92Å; M1203-I1231 PolarHBondContact N-O 3.42Å; I1231-L1296 HydrophobicContact CG2-CD1 3.62Å |
| 1232 | I | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128.8 | 180 | -49.5 | -59.1 | 0 | 0 | 0 | 109.4 | M1203 I1205 A1222 L1225 L1226 A1230 L1297 | M1203-I1232 HydrophobicContact CB-CD1 3.82Å; M1203-I1232 WeakPolarHBondContact O-CA 3.43Å; M1203-I1232 HydrophobicContact SD-CD1 4.43Å; I1205-I1232 HydrophobicContact CD1-CG2 4.06Å; I1205-I1232 HydrophobicContact CG1-CG2 4.28Å; A1222-I1232 HydrophobicContact CB-CD1 4.36Å; A1222-I1232 HydrophobicContact CB-CG2 4.03Å; L1225-I1232 HydrophobicContact CB-CD1 4.46Å; L1226-I1232 HydrophobicContact CD2-CB 4.02Å; L1226-I1232 HydrophobicContact CD2-CG1 3.64Å; L1226-I1232 HydrophobicContact CG-CG1 3.99Å; A1230-I1232 HydrophobicContact CB-CD1 4.01Å; I1232-L1297 HydrophobicContact CB-CB 4.31Å; I1232-L1297 HydrophobicContact CB-CD2 4.43Å; I1232-L1297 HydrophobicContact CG2-CB 4.42Å; I1232-L1297 HydrophobicContact CG2-CD2 4.1Å; I1232-L1297 WeakPolarHBondContact O-CB 3.44Å; I1232-L1297 PolarHBondContact O-N 2.82Å |
| 1233 | E | 97.2 | Very high | 94 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.028 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131.7 | -175.6 | -77.1 | 167.7 | -156.1 | 0 | 0 | 110.1 | R1202 M1203 Q1204 I1205 S1291 E1295 | R1202-E1233 VanDerWaalsContact CD-OE1 3.3Å; R1202-E1233 WeakPolarHBondContact CD-OE1 3.49Å; R1202-E1233 IonicContact CZ-OE1 3.61Å; R1202-E1233 IonicContact NE-OE1 2.68Å; R1202-E1233 IonicContact NH1-OE1 2.7Å; R1202-E1233 PolarHBondContact NH1-OE1 2.69Å; M1203-E1233 PolarHBondContact O-N 3.16Å; Q1204-E1233 WeakPolarHBondContact CA-O 3.22Å; Q1204-E1233 HydrophobicContact CG-CB 3.77Å; Q1204-E1233 WeakPolarHBondContact CG-OE2 3.45Å; Q1204-E1233 PolarHBondContact NE2-OE2 2.79Å; I1205-E1233 WeakPolarHBondContact CG1-O 3.45Å; I1205-E1233 PolarHBondContact N-O 3.3Å; E1233-S1291 PolarHBondContact OE1-OG 3.22Å; E1233-S1291 VanDerWaalsContact OE1-OG 3.13Å; E1233-S1291 WeakPolarHBondContact OE2-CA 3.26Å; E1233-S1291 VanDerWaalsContact OE2-CB 3.27Å; E1233-S1291 WeakPolarHBondContact OE2-CB 3.38Å; E1233-S1291 PolarHBondContact OE2-OG 3.34Å; E1233-E1295 WeakPolarHBondContact CA-O 3.27Å |
| 1234 | T | 94.9 | Very high | 94.3 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 7% | 0.074 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123.7 | 172.8 | 56.6 | 0 | 0 | 0 | 0 | 109.5 | I1205 Y1219 E1236 S1294 E1295 | I1205-T1234 HydrophobicContact CD1-CG2 4.44Å; I1205-T1234 HydrophobicContact CG1-CG2 4.28Å; I1205-T1234 CarbonylContact O-C 3.53Å; I1205-T1234 WeakPolarHBondContact O-CA 3.41Å; Y1219-T1234 HydrophobicContact CE2-CG2 4.41Å; T1234-E1236 VanDerWaalsContact CB-OE1 3.31Å; T1234-E1236 WeakPolarHBondContact CB-OE1 3.35Å; T1234-E1236 PolarHBondContact O-N 3.26Å; T1234-E1236 VanDerWaalsContact O-OE1 3.04Å; T1234-E1236 PolarHBondContact OG1-OE1 3.48Å; T1234-S1294 CarbonylContact O-C 3.43Å; T1234-S1294 WeakPolarHBondContact O-CA 3.12Å; T1234-S1294 VanDerWaalsContact O-CB 3.26Å; T1234-S1294 WeakPolarHBondContact O-CB 3.38Å; T1234-E1295 PolarHBondContact N-O 2.71Å; T1234-E1295 PolarHBondContact O-N 3.13Å; T1234-E1295 PolarHBondContact OG1-O 3.04Å |
| 1235 | Y | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 121 | -178.8 | -167.8 | -101.5 | 0 | 0 | 0 | 110.7 | R1097 I1205 N1207 N1237 I1240 D1290 K1293 S1294 | R1097-Y1235 HydrophobicContact CB-CE1 3.95Å; R1097-Y1235 HydrophobicContact CG-CE2 4.43Å; I1205-Y1235 PolarHBondContact O-N 3.12Å; N1207-Y1235 WeakPolarHBondContact CB-O 3.31Å; N1207-Y1235 PolarHBondContact N-O 2.69Å; Y1235-N1237 HydrophobicContact CE1-CB 3.96Å; Y1235-N1237 VanDerWaalsContact CE1-O 3.24Å; Y1235-N1237 WeakPolarHBondContact CE1-O 3.41Å; Y1235-I1240 HydrophobicContact CD1-CB 3.94Å; Y1235-I1240 HydrophobicContact CD2-CB 4.28Å; Y1235-I1240 HydrophobicContact CD2-CD1 4.14Å; Y1235-I1240 HydrophobicContact CG-CB 3.78Å; Y1235-I1240 HydrophobicContact CG-CD1 4.47Å; Y1235-I1240 HydrophobicContact CG-CG2 4.11Å; Y1235-D1290 HydrophobicContact CD2-CB 4.22Å; Y1235-D1290 HydrophobicContact CE2-CB 3.7Å; Y1235-D1290 WeakPolarHBondContact CE2-OD1 3.43Å; Y1235-D1290 PolarHBondContact OH-OD1 2.93Å; Y1235-K1293 HydrophobicContact CE2-CB 3.95Å; Y1235-K1293 HydrophobicContact CE2-CD 4.37Å; Y1235-S1294 WeakPolarHBondContact CD2-OG 3.4Å |
| 1236 | E | 93.3 | Very high | 94.6 | Very high | 73 Ų | 73 | 26.8 Ų | 26.8 | 34% | 0.341 | 15% | 0.145 | S | C | . | . | trans | -99.6 | -26.9 | -171.9 | -56.5 | -52 | 139.5 | 0 | 0 | 113 | N1207 T1234 G1238 K1293 E1295 | N1207-E1236 WeakPolarHBondContact CB-OE1 3.39Å; N1207-E1236 VanDerWaalsContact ND2-CD 3.3Å; N1207-E1236 PolarHBondContact ND2-OE1 3.34Å; N1207-E1236 VanDerWaalsContact ND2-OE1 3.09Å; N1207-E1236 PolarHBondContact ND2-OE2 2.89Å; T1234-E1236 VanDerWaalsContact CB-OE1 3.31Å; T1234-E1236 WeakPolarHBondContact CB-OE1 3.35Å; T1234-E1236 PolarHBondContact O-N 3.26Å; T1234-E1236 VanDerWaalsContact O-OE1 3.04Å; T1234-E1236 PolarHBondContact OG1-OE1 3.48Å; E1236-G1238 PolarHBondContact O-N 2.72Å; E1236-K1293 PolarHBondContact N-O 3.02Å; E1236-E1295 HydrophobicContact CG-CB 3.95Å | ||
| 1237 | N | 92.4 | Very high | 94.7 | Very high | 72 Ų | 72 | 25.8 Ų | 25.8 | 39% | 0.385 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -78.1 | 48 | -180 | -172.5 | 77.5 | 0 | 0 | 0 | 112.8 | Y1235 K1293 | Y1235-N1237 HydrophobicContact CE1-CB 3.96Å; Y1235-N1237 VanDerWaalsContact CE1-O 3.24Å; Y1235-N1237 WeakPolarHBondContact CE1-O 3.41Å; N1237-K1293 HydrophobicContact CB-CB 3.83Å; N1237-K1293 HydrophobicContact CB-CD 3.96Å; N1237-K1293 HydrophobicContact CB-CG 4.19Å; N1237-K1293 PolarHBondContact N-O 3.49Å |
| 1238 | G | 89.6 | Confident | 94.8 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 5% | 0.052 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 106.8 | -124.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1093 Y1095 E1236 | F1093-G1238 CarbonylContact O-C 2.94Å; F1093-G1238 VanDerWaalsContact O-CA 3.26Å; F1093-G1238 WeakPolarHBondContact O-CA 3.33Å; Y1095-G1238 WeakPolarHBondContact O-CA 3.31Å; E1236-G1238 PolarHBondContact O-N 2.72Å |
| 1239 | F | 92.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.7 | -178.3 | -172.5 | -112.4 | 0 | 0 | 0 | 110.7 | F1093 Y1095 W1096 R1097 P1179 Y1180 P1206 K1208 D1210 H1241 | F1093-F1239 HydrophobicContact CB-CB 4.34Å; Y1095-F1239 PolarHBondContact O-N 2.82Å; W1096-F1239 HydrophobicContact CD2-CD1 4.08Å; W1096-F1239 AromaticContact CE2-CD1 3.88Å; W1096-F1239 HydrophobicContact CE3-CD1 4.02Å; W1096-F1239 AromaticContact CH2-CD1 3.58Å; W1096-F1239 HydrophobicContact CH2-CD1 3.58Å; W1096-F1239 AromaticContact CH2-CE1 3.63Å; W1096-F1239 HydrophobicContact CH2-CE1 3.63Å; W1096-F1239 AromaticContact CZ2-CD1 3.63Å; W1096-F1239 HydrophobicContact CZ2-CD1 3.63Å; W1096-F1239 AromaticContact CZ2-CE1 3.66Å; W1096-F1239 HydrophobicContact CZ2-CE1 3.66Å; W1096-F1239 AromaticContact CZ3-CD1 3.79Å; W1096-F1239 HydrophobicContact CZ3-CD1 3.79Å; W1096-F1239 HydrophobicContact CZ3-CE1 4.27Å; R1097-F1239 PolarHBondContact N-O 3.49Å; P1179-F1239 HydrophobicContact CB-CZ 4.14Å; Y1180-F1239 HydrophobicContact CE1-CZ 4.45Å; P1206-F1239 HydrophobicContact CB-CD2 3.51Å; P1206-F1239 HydrophobicContact CB-CE2 3.53Å; P1206-F1239 HydrophobicContact CB-CG 4.49Å; P1206-F1239 HydrophobicContact CG-CD2 4.16Å; P1206-F1239 HydrophobicContact CG-CE2 3.63Å; P1206-F1239 HydrophobicContact CG-CZ 4.33Å; K1208-F1239 VanDerWaalsContact O-CD2 3.24Å; K1208-F1239 WeakPolarHBondContact O-CD2 3.45Å; K1208-F1239 WeakPolarHBondContact O-CE2 3.03Å; D1210-F1239 HydrophobicContact CB-CE2 4.11Å; D1210-F1239 HydrophobicContact CB-CZ 3.92Å; F1239-H1241 HydrophobicContact CD1-CB 4.01Å; F1239-H1241 HydrophobicContact CE1-CB 3.87Å; F1239-H1241 AromaticContact CE1-CD2 3.79Å |
| 1240 | I | 93.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.7 | 172.1 | -165 | 169.5 | 0 | 0 | 0 | 109.9 | R1097 Q1177 Q1204 P1206 Y1235 A1242 | R1097-I1240 HydrophobicContact CB-CG1 4.33Å; R1097-I1240 HydrophobicContact CG-CG1 4.17Å; Q1177-I1240 HydrophobicContact CB-CD1 4.34Å; Q1177-I1240 HydrophobicContact CG-CD1 4.22Å; Q1204-I1240 HydrophobicContact CB-CD1 4.1Å; P1206-I1240 HydrophobicContact CB-CG2 4.06Å; Y1235-I1240 HydrophobicContact CD1-CB 3.94Å; Y1235-I1240 HydrophobicContact CD2-CB 4.28Å; Y1235-I1240 HydrophobicContact CD2-CD1 4.14Å; Y1235-I1240 HydrophobicContact CG-CB 3.78Å; Y1235-I1240 HydrophobicContact CG-CD1 4.47Å; Y1235-I1240 HydrophobicContact CG-CG2 4.11Å; I1240-A1242 HydrophobicContact CG1-CB 4.25Å |
| 1241 | H | 93.6 | Very high | 94 | Very high | 14 Ų | 14 | 12.4 Ų | 12.4 | 7% | 0.065 | 6% | 0.064 | C | C | . | . | trans | -115.8 | -5.7 | -178.1 | -168.9 | -126.2 | 0 | 0 | 0 | 112.3 | W1096 R1097 D1098 F1239 K1243 | W1096-H1241 AromaticContact CE2-CG 3.77Å; W1096-H1241 AromaticContact CE2-ND1 3.79Å; W1096-H1241 HydrophobicContact CZ2-CB 3.79Å; W1096-H1241 AromaticContact CZ2-CD2 3.77Å; W1096-H1241 AromaticContact CZ2-CE1 3.88Å; W1096-H1241 AromaticContact CZ2-CG 3.49Å; W1096-H1241 VanDerWaalsContact CZ2-CG 3.49Å; W1096-H1241 AromaticContact CZ2-ND1 3.59Å; W1096-H1241 AromaticContact NE1-CG 3.53Å; W1096-H1241 AromaticContact NE1-ND1 3.39Å; W1096-H1241 PolarHBondContact NE1-ND1 2.96Å; R1097-H1241 PolarHBondContact O-N 3.28Å; D1098-H1241 HydrophobicContact CB-CB 4.41Å; D1098-H1241 IonicContact OD2-CE1 2.65Å; D1098-H1241 IonicContact OD2-CG 3.1Å; D1098-H1241 IonicContact OD2-ND1 3.66Å; D1098-H1241 PolarHBondContact OD2-ND1 2.7Å; F1239-H1241 HydrophobicContact CD1-CB 4.01Å; F1239-H1241 HydrophobicContact CE1-CB 3.87Å; F1239-H1241 AromaticContact CE1-CD2 3.79Å; H1241-K1243 PolarHBondContact CD2-NZ 3.09Å; H1241-K1243 VanDerWaalsContact CD2-NZ 3.28Å; H1241-K1243 PolarHBondContact CE1-NZ 2.76Å; H1241-K1243 VanDerWaalsContact CG-NZ 3.3Å; H1241-K1243 PolarHBondContact ND1-NZ 2.69Å; H1241-K1243 PolarHBondContact NE2-NZ 3.1Å; H1241-K1243 VanDerWaalsContact O-CD 3.31Å; H1241-K1243 WeakPolarHBondContact O-CD 3.42Å; H1241-K1243 WeakPolarHBondContact O-CE 3.44Å; H1241-K1243 PolarHBondContact O-N 3.14Å; H1241-K1243 PolarHBondContact O-NZ 2.82Å | ||
| 1242 | A | 94.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.051 | C | C | . | . | trans | -50.9 | 130.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1097 D1098 N1099 Q1177 T1178 I1240 | R1097-A1242 PolarHBondContact O-N 2.71Å; D1098-A1242 VanDerWaalsContact OD1-CA 3.27Å; D1098-A1242 WeakPolarHBondContact OD1-CA 3.4Å; D1098-A1242 PolarHBondContact OD1-N 3.42Å; N1099-A1242 HydrophobicContact CB-CB 4.49Å; Q1177-A1242 CarbonylContact C-O 3.49Å; Q1177-A1242 HydrophobicContact CB-CB 3.84Å; T1178-A1242 VanDerWaalsContact CA-O 3.31Å; T1178-A1242 WeakPolarHBondContact CA-O 3.28Å; T1178-A1242 PolarHBondContact N-O 3.5Å; I1240-A1242 HydrophobicContact CG1-CB 4.25Å | ||
| 1243 | K | 96.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 9.8 Ų | 9.8 | 2% | 0.017 | 5% | 0.051 | C | C | . | . | trans | -108.7 | 102.3 | 167.6 | -56.1 | 93 | -178.3 | 151.2 | 0 | 107.4 | D1098 Q1177 H1241 G1255 S1256 A1257 N1258 | D1098-K1243 IonicContact OD2-NZ 2.81Å; Q1177-K1243 WeakPolarHBondContact O-CA 3.11Å; H1241-K1243 PolarHBondContact CD2-NZ 3.09Å; H1241-K1243 VanDerWaalsContact CD2-NZ 3.28Å; H1241-K1243 PolarHBondContact CE1-NZ 2.76Å; H1241-K1243 VanDerWaalsContact CG-NZ 3.3Å; H1241-K1243 PolarHBondContact ND1-NZ 2.69Å; H1241-K1243 PolarHBondContact NE2-NZ 3.1Å; H1241-K1243 VanDerWaalsContact O-CD 3.31Å; H1241-K1243 WeakPolarHBondContact O-CD 3.42Å; H1241-K1243 WeakPolarHBondContact O-CE 3.44Å; H1241-K1243 PolarHBondContact O-N 3.14Å; H1241-K1243 PolarHBondContact O-NZ 2.82Å; K1243-G1255 PolarHBondContact O-N 3.19Å; K1243-S1256 WeakPolarHBondContact CD-O 3.2Å; K1243-S1256 VanDerWaalsContact CE-O 3.32Å; K1243-S1256 WeakPolarHBondContact CE-O 3.35Å; K1243-A1257 VanDerWaalsContact CB-O 3.27Å; K1243-A1257 WeakPolarHBondContact CB-O 3.33Å; K1243-A1257 VanDerWaalsContact CG-O 3.32Å; K1243-A1257 WeakPolarHBondContact CG-O 3.5Å; K1243-N1258 WeakPolarHBondContact CE-OD1 3.41Å | ||
| 1244 | T | 97.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 9.6 Ų | 9.6 | 3% | 0.025 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 133.3 | -172.2 | -63.4 | 0 | 0 | 0 | 0 | 110.9 | N1099 I1176 Q1177 I1246 S1253 V1254 L1283 | N1099-T1244 PolarHBondContact ND2-OG1 2.88Å; I1176-T1244 CarbonylContact C-O 3.52Å; I1176-T1244 WeakPolarHBondContact CA-O 3.47Å; Q1177-T1244 PolarHBondContact N-O 3.18Å; Q1177-T1244 PolarHBondContact O-N 3.21Å; T1244-I1246 HydrophobicContact CG2-CD1 4.45Å; T1244-I1246 HydrophobicContact CG2-CG1 4.03Å; T1244-S1253 VanDerWaalsContact CA-O 3.22Å; T1244-S1253 WeakPolarHBondContact CA-O 3.39Å; T1244-V1254 HydrophobicContact CG2-CG2 4.14Å; T1244-L1283 HydrophobicContact CG2-CD2 4.36Å |
| 1245 | M | 97.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 123.5 | 174.4 | -175.3 | -179 | -65.9 | 0 | 0 | 109.5 | Y1163 M1166 I1167 I1174 L1175 I1176 I1247 A1252 S1253 I1259 | Y1163-M1245 HydrophobicContact CD1-CB 4.45Å; Y1163-M1245 HydrophobicContact CD1-CE 3.68Å; Y1163-M1245 HydrophobicContact CD1-SD 3.78Å; Y1163-M1245 HydrophobicContact CD2-CE 4.32Å; Y1163-M1245 HydrophobicContact CE1-CB 4.07Å; Y1163-M1245 HydrophobicContact CE1-CE 4.12Å; Y1163-M1245 HydrophobicContact CE1-SD 4.35Å; Y1163-M1245 HydrophobicContact CG-CE 3.78Å; Y1163-M1245 HydrophobicContact CG-SD 4.33Å; M1166-M1245 HydrophobicContact CB-SD 4.17Å; M1166-M1245 HydrophobicContact CE-CB 4.31Å; M1166-M1245 HydrophobicContact CE-CG 4.19Å; M1166-M1245 HydrophobicContact CE-SD 4.33Å; I1167-M1245 HydrophobicContact CD1-CE 4.24Å; I1167-M1245 HydrophobicContact CG1-CE 4.32Å; I1167-M1245 HydrophobicContact CG1-SD 4.08Å; I1174-M1245 HydrophobicContact CG2-CG 4.24Å; L1175-M1245 CarbonylContact O-C 3.58Å; L1175-M1245 VanDerWaalsContact O-CA 3.31Å; L1175-M1245 WeakPolarHBondContact O-CA 3.41Å; I1176-M1245 HydrophobicContact CD1-CE 4.24Å; I1176-M1245 HydrophobicContact CG1-CE 4.43Å; I1176-M1245 HydrophobicContact CG1-CG 4.41Å; M1245-I1247 HydrophobicContact CG-CD1 4.14Å; M1245-I1247 HydrophobicContact SD-CD1 4.19Å; M1245-A1252 CarbonylContact O-C 3.45Å; M1245-A1252 WeakPolarHBondContact O-CA 3.37Å; M1245-S1253 PolarHBondContact N-O 2.89Å; M1245-S1253 PolarHBondContact O-N 3.37Å; M1245-I1259 HydrophobicContact CE-CD1 4.09Å |
| 1246 | I | 97.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 9 Ų | 9 | 1% | 0.01 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131.9 | 179.4 | -43.9 | 174.2 | 0 | 0 | 0 | 109 | I1174 L1175 T1244 I1251 A1280 L1283 R1284 | I1174-I1246 WeakPolarHBondContact CA-O 3.39Å; L1175-I1246 HydrophobicContact CB-CB 4.22Å; L1175-I1246 HydrophobicContact CD1-CD1 4.43Å; L1175-I1246 PolarHBondContact N-O 3.26Å; L1175-I1246 PolarHBondContact O-N 2.95Å; T1244-I1246 HydrophobicContact CG2-CD1 4.45Å; T1244-I1246 HydrophobicContact CG2-CG1 4.03Å; I1246-I1251 WeakPolarHBondContact CA-O 3.47Å; I1246-A1280 HydrophobicContact CG2-CB 4.21Å; I1246-L1283 HydrophobicContact CD1-CB 3.75Å; I1246-L1283 HydrophobicContact CG1-CB 4.49Å; I1246-R1284 HydrophobicContact CD1-CB 4.29Å |
| 1247 | I | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 118.2 | -179.2 | -54.1 | -60 | 0 | 0 | 0 | 109.7 | V940 M1166 A1170 I1174 M1245 G1249 G1250 I1251 | V940-I1247 HydrophobicContact CG2-CG2 4.37Å; M1166-I1247 HydrophobicContact CB-CD1 4.08Å; M1166-I1247 HydrophobicContact CB-CG1 3.87Å; M1166-I1247 HydrophobicContact CE-CG1 3.75Å; M1166-I1247 HydrophobicContact CG-CG1 4.44Å; M1166-I1247 WeakPolarHBondContact O-CD1 3.5Å; A1170-I1247 HydrophobicContact CB-CD1 4.39Å; A1170-I1247 HydrophobicContact CB-CG2 3.73Å; I1174-I1247 HydrophobicContact CB-CD1 4.41Å; I1174-I1247 HydrophobicContact CG1-CD1 3.96Å; I1174-I1247 HydrophobicContact CG2-CD1 4Å; M1245-I1247 HydrophobicContact CG-CD1 4.14Å; M1245-I1247 HydrophobicContact SD-CD1 4.19Å; I1247-G1249 PolarHBondContact O-N 2.98Å; I1247-G1250 PolarHBondContact O-N 2.88Å; I1247-I1251 HydrophobicContact CB-CB 4.45Å; I1247-I1251 PolarHBondContact N-O 3.33Å; I1247-I1251 PolarHBondContact O-N 2.78Å |
| 1248 | D | 92.5 | Very high | 93.5 | Very high | 13 Ų | 13 | 2.5 Ų | 2.5 | 7% | 0.07 | 1% | 0.014 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 22.7 | 175.5 | -65.6 | -15.6 | 0 | 0 | 0 | 116 | V940 K1171 K1172 E1173 G1250 | V940-D1248 HydrophobicContact CG2-CB 3.72Å; K1171-D1248 WeakPolarHBondContact CB-OD2 3.25Å; K1171-D1248 PolarHBondContact N-OD1 2.8Å; K1171-D1248 PolarHBondContact N-OD2 3.41Å; K1172-D1248 WeakPolarHBondContact CA-OD1 3.37Å; K1172-D1248 WeakPolarHBondContact CB-OD1 3.34Å; K1172-D1248 PolarHBondContact N-OD1 3.28Å; E1173-D1248 PolarHBondContact N-OD1 2.96Å; E1173-D1248 PolarHBondContact O-N 3.36Å; D1248-G1250 VanDerWaalsContact C-N 3.32Å; D1248-G1250 PolarHBondContact O-N 3.48Å |
| 1249 | G | 82.6 | Confident | 93.7 | Very high | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 1% | 0.012 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 32.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N938 I1247 | N938-G1249 PolarHBondContact ND2-O 3.19Å; I1247-G1249 PolarHBondContact O-N 2.98Å |
| 1250 | G | 88 | Confident | 93.5 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.6 | -15.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | T937 I1247 D1248 | T937-G1250 WeakPolarHBondContact CB-O 3.42Å; T937-G1250 WeakPolarHBondContact CG2-O 3.32Å; I1247-G1250 PolarHBondContact O-N 2.88Å; D1248-G1250 VanDerWaalsContact C-N 3.32Å; D1248-G1250 PolarHBondContact O-N 3.48Å |
| 1251 | I | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 134.3 | 168.3 | -52.1 | -179.3 | 0 | 0 | 0 | 108 | T937 V940 P942 L945 M1166 L1169 I1246 I1247 I1273 Y1275 | T937-I1251 HydrophobicContact CG2-CG1 4.5Å; V940-I1251 HydrophobicContact CB-CD1 4.27Å; V940-I1251 HydrophobicContact CB-CG1 4.24Å; V940-I1251 HydrophobicContact CG1-CD1 3.54Å; V940-I1251 HydrophobicContact CG1-CG1 4Å; P942-I1251 HydrophobicContact CB-CD1 3.81Å; L945-I1251 HydrophobicContact CD2-CD1 4.5Å; M1166-I1251 HydrophobicContact CE-CG2 4.11Å; L1169-I1251 HydrophobicContact CD1-CD1 4.42Å; I1246-I1251 WeakPolarHBondContact CA-O 3.47Å; I1247-I1251 HydrophobicContact CB-CB 4.45Å; I1247-I1251 PolarHBondContact N-O 3.33Å; I1247-I1251 PolarHBondContact O-N 2.78Å; I1251-I1273 HydrophobicContact CG2-CG2 3.99Å; I1251-Y1275 HydrophobicContact CD1-CD1 4.3Å; I1251-Y1275 HydrophobicContact CD1-CE1 4.47Å; I1251-Y1275 HydrophobicContact CG1-CD1 4.28Å; I1251-Y1275 HydrophobicContact CG2-CD1 3.99Å; I1251-Y1275 HydrophobicContact CG2-CE1 4.15Å |
| 1252 | A | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 143.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1245 I1273 V1274 A1280 L1283 | M1245-A1252 CarbonylContact O-C 3.45Å; M1245-A1252 WeakPolarHBondContact O-CA 3.37Å; A1252-I1273 CarbonylContact O-C 3.44Å; A1252-I1273 WeakPolarHBondContact O-CA 3.5Å; A1252-V1274 PolarHBondContact N-O 2.7Å; A1252-V1274 PolarHBondContact O-N 3.12Å; A1252-A1280 HydrophobicContact CB-CB 4.37Å; A1252-L1283 HydrophobicContact CB-CD1 3.55Å |
| 1253 | S | 97.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.5 | 166.7 | -179 | 0 | 0 | 0 | 0 | 109.1 | T1244 M1245 N1271 T1272 I1273 | T1244-S1253 VanDerWaalsContact CA-O 3.22Å; T1244-S1253 WeakPolarHBondContact CA-O 3.39Å; M1245-S1253 PolarHBondContact N-O 2.89Å; M1245-S1253 PolarHBondContact O-N 3.37Å; S1253-N1271 PolarHBondContact OG-ND2 2.77Å; S1253-T1272 WeakPolarHBondContact CA-O 3.26Å; S1253-I1273 VanDerWaalsContact OG-CD1 3.27Å; S1253-I1273 WeakPolarHBondContact OG-CD1 3.4Å |
| 1254 | V | 97.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.006 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 139.3 | 173.9 | 177.9 | 0 | 0 | 0 | 0 | 108 | N1099 L1101 T1244 N1271 T1272 L1283 | N1099-V1254 HydrophobicContact CB-CG1 3.83Å; L1101-V1254 HydrophobicContact CD1-CB 4.29Å; L1101-V1254 HydrophobicContact CD1-CG1 4.47Å; L1101-V1254 HydrophobicContact CD2-CG1 4.21Å; L1101-V1254 HydrophobicContact CG-CB 4.48Å; L1101-V1254 HydrophobicContact CG-CG1 4.14Å; T1244-V1254 HydrophobicContact CG2-CG2 4.14Å; V1254-N1271 CarbonylContact O-C 3.49Å; V1254-N1271 WeakPolarHBondContact O-CA 3.45Å; V1254-T1272 PolarHBondContact N-O 2.97Å; V1254-T1272 PolarHBondContact O-N 3.23Å; V1254-L1283 HydrophobicContact CG2-CD1 3.61Å; V1254-L1283 HydrophobicContact CG2-CD2 3.92Å; V1254-L1283 HydrophobicContact CG2-CG 4.46Å |
| 1255 | G | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | -144.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | G1078 G1079 K1243 V1270 N1271 | G1078-G1255 CarbonylContact C-O 3.53Å; G1079-G1255 PolarHBondContact N-O 3Å; K1243-G1255 PolarHBondContact O-N 3.19Å; G1255-V1270 WeakPolarHBondContact CA-O 3.31Å; G1255-N1271 WeakPolarHBondContact CA-OD1 3.2Å |
| 1256 | S | 91.5 | Very high | 88 | Confident | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.007 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -107.6 | -32.2 | -171.6 | 40.2 | 0 | 0 | 0 | 0 | 113.9 | H1064 K1243 E1269 V1270 N1271 | H1064-S1256 WeakPolarHBondContact O-CB 3.26Å; K1243-S1256 WeakPolarHBondContact CD-O 3.2Å; K1243-S1256 VanDerWaalsContact CE-O 3.32Å; K1243-S1256 WeakPolarHBondContact CE-O 3.35Å; S1256-E1269 WeakPolarHBondContact CB-OE2 3.38Å; S1256-E1269 PolarHBondContact OG-OE2 3.41Å; S1256-E1269 VanDerWaalsContact OG-OE2 3.13Å; S1256-V1270 PolarHBondContact N-O 3.14Å; S1256-V1270 PolarHBondContact OG-N 3.45Å; S1256-V1270 PolarHBondContact OG-O 2.88Å; S1256-N1271 PolarHBondContact N-OD1 3.31Å |
| 1257 | A | 91.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | trans | -72.5 | 130.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1159 K1243 E1269 N1271 | I1159-A1257 HydrophobicContact CD1-CB 3.76Å; I1159-A1257 HydrophobicContact CG2-CB 3.84Å; K1243-A1257 VanDerWaalsContact CB-O 3.27Å; K1243-A1257 WeakPolarHBondContact CB-O 3.33Å; K1243-A1257 VanDerWaalsContact CG-O 3.32Å; K1243-A1257 WeakPolarHBondContact CG-O 3.5Å; A1257-E1269 VanDerWaalsContact CA-CD 3.48Å; A1257-E1269 WeakPolarHBondContact CA-OE2 3.36Å; A1257-E1269 HydrophobicContact CB-CB 3.91Å; A1257-E1269 HydrophobicContact CB-CG 3.89Å; A1257-E1269 PolarHBondContact N-OE2 2.88Å; A1257-E1269 VanDerWaalsContact N-OE2 3.14Å; A1257-N1271 PolarHBondContact N-OD1 3.45Å | ||
| 1258 | N | 92 | Very high | 86.7 | Confident | 7 Ų | 7 | 11.6 Ų | 11.6 | 4% | 0.037 | 5% | 0.054 | C | C | . | . | trans | -81.4 | 176.8 | 172.4 | -42.2 | -77.5 | 0 | 0 | 0 | 110.9 | P1179 Y1180 K1243 D1260 S1263 F1264 | P1179-N1258 WeakPolarHBondContact CG-OD1 3.39Å; Y1180-N1258 HydrophobicContact CD2-CB 4.21Å; K1243-N1258 WeakPolarHBondContact CE-OD1 3.41Å; N1258-D1260 VanDerWaalsContact C-N 3.27Å; N1258-D1260 WeakPolarHBondContact CB-OD2 3.32Å; N1258-D1260 PolarHBondContact O-N 2.83Å; N1258-S1263 WeakPolarHBondContact CB-OG 3.42Å; N1258-S1263 PolarHBondContact N-OG 2.82Å; N1258-S1263 PolarHBondContact ND2-OG 3.42Å; N1258-S1263 VanDerWaalsContact ND2-OG 3.07Å; N1258-F1264 WeakPolarHBondContact O-CE1 3.35Å | ||
| 1259 | I | 93 | Very high | 86.7 | Confident | 4 Ų | 4 | 11 Ų | 11 | 2% | 0.021 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 66.9 | 170.9 | -52 | -175.6 | 0 | 0 | 0 | 108.7 | Y1163 I1176 T1178 Y1180 Y1181 I1182 P1183 I1187 M1245 F1264 | Y1163-I1259 HydrophobicContact CE2-CG1 4.24Å; I1176-I1259 HydrophobicContact CD1-CD1 4.28Å; I1176-I1259 HydrophobicContact CG2-CD1 3.58Å; T1178-I1259 HydrophobicContact CG2-CB 4.45Å; T1178-I1259 HydrophobicContact CG2-CD1 4.46Å; T1178-I1259 HydrophobicContact CG2-CG1 4.43Å; T1178-I1259 PolarHBondContact OG1-N 2.74Å; Y1180-I1259 PolarHBondContact O-N 3.09Å; Y1181-I1259 HydrophobicContact CD2-CB 3.97Å; Y1181-I1259 HydrophobicContact CD2-CG2 3.78Å; Y1181-I1259 HydrophobicContact CE2-CB 4.45Å; Y1181-I1259 HydrophobicContact CE2-CG2 3.78Å; I1182-I1259 CarbonylContact C-O 3.5Å; I1182-I1259 PolarHBondContact N-O 3.16Å; P1183-I1259 HydrophobicContact CB-CG2 4.22Å; I1187-I1259 HydrophobicContact CG2-CG2 3.72Å; M1245-I1259 HydrophobicContact CE-CD1 4.09Å; I1259-F1264 HydrophobicContact CG2-CZ 4.16Å |
| 1260 | D | 89.6 | Confident | 87.2 | Confident | 18 Ų | 18 | 11.1 Ų | 11.1 | 10% | 0.096 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 158.2 | 174.2 | 66.7 | 49.9 | 0 | 0 | 0 | 113.4 | I1182 N1258 R1262 S1263 F1264 | I1182-D1260 HydrophobicContact CB-CB 4Å; I1182-D1260 VanDerWaalsContact O-CA 3.3Å; I1182-D1260 WeakPolarHBondContact O-CA 3.36Å; N1258-D1260 VanDerWaalsContact C-N 3.27Å; N1258-D1260 WeakPolarHBondContact CB-OD2 3.32Å; N1258-D1260 PolarHBondContact O-N 2.83Å; D1260-R1262 PolarHBondContact O-N 3.04Å; D1260-R1262 VanDerWaalsContact O-N 3.15Å; D1260-R1262 PolarHBondContact OD1-N 2.92Å; D1260-R1262 VanDerWaalsContact OD1-N 3.13Å; D1260-S1263 VanDerWaalsContact CG-OG 3.28Å; D1260-S1263 PolarHBondContact O-N 3.45Å; D1260-S1263 WeakPolarHBondContact OD1-CB 3.27Å; D1260-S1263 PolarHBondContact OD1-N 3.06Å; D1260-S1263 PolarHBondContact OD1-OG 3.2Å; D1260-S1263 PolarHBondContact OD2-OG 3.02Å; D1260-F1264 VanDerWaalsContact O-CD2 3.29Å; D1260-F1264 WeakPolarHBondContact O-CD2 3.41Å; D1260-F1264 WeakPolarHBondContact O-CG 3.42Å; D1260-F1264 PolarHBondContact O-N 3.43Å |
| 1261 | V | 77.8 | Confident | 87.6 | Confident | 22 Ų | 22 | 11.1 Ų | 11.1 | 13% | 0.133 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -57.9 | -28.7 | -177.8 | -172.5 | 0 | 0 | 0 | 0 | 112.5 | I1182 D1184 K1265 | I1182-V1261 PolarHBondContact O-N 3.1Å; D1184-V1261 HydrophobicContact CB-CG2 4.27Å; V1261-K1265 HydrophobicContact CG1-CD 4.44Å; V1261-K1265 PolarHBondContact O-N 2.77Å; V1261-K1265 VanDerWaalsContact O-N 3.11Å |
| 1262 | R | 79.7 | Confident | 87.7 | Confident | 93 Ų | 93 | 11.1 Ų | 11.1 | 35% | 0.351 | 5% | 0.051 | S | C | . | . | H | α-helix | trans | -77.1 | -44 | -176.3 | -166.1 | -169.8 | 158.4 | -155.8 | -27.3 | 111.3 | H1064 D1260 F1264 K1265 L1266 D1267 | H1064-R1262 PolarHBondContact NE2-NH2 2.92Å; D1260-R1262 PolarHBondContact O-N 3.04Å; D1260-R1262 VanDerWaalsContact O-N 3.15Å; D1260-R1262 PolarHBondContact OD1-N 2.92Å; D1260-R1262 VanDerWaalsContact OD1-N 3.13Å; R1262-F1264 PolarHBondContact O-N 3.46Å; R1262-K1265 PolarHBondContact O-N 3.19Å; R1262-L1266 HydrophobicContact CG-CB 3.95Å; R1262-L1266 HydrophobicContact CG-CD1 4.12Å; R1262-L1266 PolarHBondContact O-N 3.48Å; R1262-D1267 WeakPolarHBondContact CD-OD2 2.98Å; R1262-D1267 VanDerWaalsContact CG-OD2 3.22Å; R1262-D1267 WeakPolarHBondContact CG-OD2 3.32Å; R1262-D1267 IonicContact CZ-OD1 3.68Å; R1262-D1267 IonicContact CZ-OD2 2.63Å; R1262-D1267 VanDerWaalsContact CZ-OD2 3.24Å; R1262-D1267 VanDerWaalsContact NE-CG 3.3Å; R1262-D1267 IonicContact NE-OD1 2.81Å; R1262-D1267 PolarHBondContact NE-OD1 2.8Å; R1262-D1267 IonicContact NE-OD2 2.8Å; R1262-D1267 PolarHBondContact NE-OD2 3.41Å; R1262-D1267 VanDerWaalsContact NH2-CG 3.33Å; R1262-D1267 IonicContact NH2-OD1 2.96Å; R1262-D1267 PolarHBondContact NH2-OD1 2.82Å; R1262-D1267 IonicContact NH2-OD2 2.95Å; R1262-D1267 PolarHBondContact NH2-OD2 2.65Å; R1262-D1267 PolarHBondContact O-N 2.98Å |
| 1263 | S | 83.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.2 | -22.5 | 174 | -49.6 | 0 | 0 | 0 | 0 | 112.5 | N1258 D1260 | N1258-S1263 WeakPolarHBondContact CB-OG 3.42Å; N1258-S1263 PolarHBondContact N-OG 2.82Å; N1258-S1263 PolarHBondContact ND2-OG 3.42Å; N1258-S1263 VanDerWaalsContact ND2-OG 3.07Å; D1260-S1263 VanDerWaalsContact CG-OG 3.28Å; D1260-S1263 PolarHBondContact O-N 3.45Å; D1260-S1263 WeakPolarHBondContact OD1-CB 3.27Å; D1260-S1263 PolarHBondContact OD1-N 3.06Å; D1260-S1263 PolarHBondContact OD1-OG 3.2Å; D1260-S1263 PolarHBondContact OD2-OG 3.02Å |
| 1264 | F | 82.4 | Confident | 87.6 | Confident | 2 Ų | 2 | 11.2 Ų | 11.2 | 1% | 0.009 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -91.4 | -36.2 | 177.5 | -58.8 | -28.3 | 0 | 0 | 0 | 114.2 | I1159 K1160 Y1163 I1187 N1258 I1259 D1260 R1262 | I1159-F1264 HydrophobicContact CG2-CE1 4.3Å; K1160-F1264 HydrophobicContact CB-CB 4.1Å; K1160-F1264 HydrophobicContact CB-CD1 3.87Å; K1160-F1264 HydrophobicContact CB-CD2 3.91Å; K1160-F1264 HydrophobicContact CB-CE1 4.25Å; K1160-F1264 HydrophobicContact CB-CE2 4.28Å; K1160-F1264 HydrophobicContact CB-CG 3.7Å; K1160-F1264 HydrophobicContact CB-CZ 4.44Å; K1160-F1264 HydrophobicContact CD-CB 4.39Å; K1160-F1264 HydrophobicContact CD-CD2 3.99Å; K1160-F1264 HydrophobicContact CD-CG 4.34Å; K1160-F1264 HydrophobicContact CG-CD2 4.4Å; Y1163-F1264 AromaticContact CD2-CE1 3.84Å; Y1163-F1264 HydrophobicContact CD2-CE1 3.84Å; Y1163-F1264 AromaticContact CD2-CZ 3.97Å; Y1163-F1264 HydrophobicContact CD2-CZ 3.97Å; Y1163-F1264 HydrophobicContact CE2-CE1 4.01Å; Y1163-F1264 HydrophobicContact CE2-CZ 4.37Å; I1187-F1264 HydrophobicContact CG1-CE2 3.95Å; I1187-F1264 HydrophobicContact CG1-CZ 4.33Å; N1258-F1264 WeakPolarHBondContact O-CE1 3.35Å; I1259-F1264 HydrophobicContact CG2-CZ 4.16Å; D1260-F1264 VanDerWaalsContact O-CD2 3.29Å; D1260-F1264 WeakPolarHBondContact O-CD2 3.41Å; D1260-F1264 WeakPolarHBondContact O-CG 3.42Å; D1260-F1264 PolarHBondContact O-N 3.43Å; R1262-F1264 PolarHBondContact O-N 3.46Å |
| 1265 | K | 69.1 | Low | 87.5 | Confident | 37 Ų | 37 | 11.1 Ų | 11.1 | 16% | 0.161 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -108.2 | -27.2 | -173.3 | -78.8 | -169.3 | 165 | -168.7 | 0 | 116.4 | E1157 V1261 R1262 W1328 D1330 | E1157-K1265 VanDerWaalsContact CD-CG 3.5Å; E1157-K1265 HydrophobicContact CG-CG 4.16Å; E1157-K1265 WeakPolarHBondContact OE1-CE 3.29Å; V1261-K1265 HydrophobicContact CG1-CD 4.44Å; V1261-K1265 PolarHBondContact O-N 2.77Å; V1261-K1265 VanDerWaalsContact O-N 3.11Å; R1262-K1265 PolarHBondContact O-N 3.19Å; K1265-W1328 PolarHBondContact NZ-O 3.41Å; K1265-D1330 IonicContact NZ-OD2 3.77Å; K1265-D1330 PolarHBondContact NZ-OD2 3.27Å |
| 1266 | L | 65.6 | Low | 87.5 | Confident | 41 Ų | 41 | 12 Ų | 12 | 22% | 0.215 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | -39.1 | -159.1 | -62.9 | 173 | 0 | 0 | 0 | 113.8 | N1060 Y1061 P1152 R1262 | N1060-L1266 HydrophobicContact CB-CD1 4.37Å; Y1061-L1266 HydrophobicContact CD1-CB 4.4Å; Y1061-L1266 HydrophobicContact CD1-CD2 4.11Å; Y1061-L1266 WeakPolarHBondContact CD1-O 3.4Å; Y1061-L1266 HydrophobicContact CE1-CD2 3.64Å; P1152-L1266 WeakPolarHBondContact CD-O 3.29Å; P1152-L1266 WeakPolarHBondContact CG-O 3.47Å; R1262-L1266 HydrophobicContact CG-CB 3.95Å; R1262-L1266 HydrophobicContact CG-CD1 4.12Å; R1262-L1266 PolarHBondContact O-N 3.48Å |
| 1267 | D | 78.3 | Confident | 87.4 | Confident | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.011 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -83.5 | 140.9 | 176.6 | -62 | -36.8 | 0 | 0 | 0 | 110.4 | H1064 R1262 E1269 | H1064-D1267 HydrophobicContact CB-CB 4.25Å; H1064-D1267 IonicContact CE1-OD1 3.95Å; H1064-D1267 IonicContact CE1-OD2 3.36Å; H1064-D1267 PolarHBondContact CE1-OD2 3.36Å; H1064-D1267 IonicContact ND1-OD2 3.81Å; H1064-D1267 PolarHBondContact ND1-OD2 3.09Å; H1064-D1267 IonicContact NE2-OD1 2.66Å; H1064-D1267 IonicContact NE2-OD2 2.75Å; R1262-D1267 WeakPolarHBondContact CD-OD2 2.98Å; R1262-D1267 VanDerWaalsContact CG-OD2 3.22Å; R1262-D1267 WeakPolarHBondContact CG-OD2 3.32Å; R1262-D1267 IonicContact CZ-OD1 3.68Å; R1262-D1267 IonicContact CZ-OD2 2.63Å; R1262-D1267 VanDerWaalsContact CZ-OD2 3.24Å; R1262-D1267 VanDerWaalsContact NE-CG 3.3Å; R1262-D1267 IonicContact NE-OD1 2.81Å; R1262-D1267 PolarHBondContact NE-OD1 2.8Å; R1262-D1267 IonicContact NE-OD2 2.8Å; R1262-D1267 PolarHBondContact NE-OD2 3.41Å; R1262-D1267 VanDerWaalsContact NH2-CG 3.33Å; R1262-D1267 IonicContact NH2-OD1 2.96Å; R1262-D1267 PolarHBondContact NH2-OD1 2.82Å; R1262-D1267 IonicContact NH2-OD2 2.95Å; R1262-D1267 PolarHBondContact NH2-OD2 2.65Å; R1262-D1267 PolarHBondContact O-N 2.98Å; D1267-E1269 HydrophobicContact CB-CG 4.1Å; D1267-E1269 PolarHBondContact O-N 2.85Å |
| 1268 | F | 86.8 | Confident | 87.4 | Confident | 3 Ų | 3 | 20.4 Ų | 20.4 | 1% | 0.013 | 10% | 0.098 | C | C | . | . | B | Isolated β-bridge | trans | -79.2 | 115.7 | 171.4 | -68.2 | -105.9 | 0 | 0 | 0 | 107.1 | F1047 F1048 R1062 N1063 H1064 R1065 S1150 P1152 D1153 | F1047-F1268 HydrophobicContact CE1-CD2 4.01Å; F1047-F1268 HydrophobicContact CE1-CE2 4.05Å; F1047-F1268 HydrophobicContact CE1-CG 4.44Å; F1047-F1268 HydrophobicContact CZ-CD1 4.3Å; F1047-F1268 HydrophobicContact CZ-CD2 4.2Å; F1047-F1268 HydrophobicContact CZ-CE1 4.24Å; F1047-F1268 HydrophobicContact CZ-CE2 4.16Å; F1047-F1268 HydrophobicContact CZ-CG 4.28Å; F1047-F1268 HydrophobicContact CZ-CZ 4.18Å; F1048-F1268 HydrophobicContact CE2-CD2 4.42Å; F1048-F1268 AromaticContact CE2-CE2 3.75Å; F1048-F1268 HydrophobicContact CE2-CE2 3.75Å; F1048-F1268 HydrophobicContact CE2-CZ 4.49Å; F1048-F1268 HydrophobicContact CZ-CE2 4.01Å; F1048-F1268 HydrophobicContact CZ-CZ 4.34Å; R1062-F1268 PolarHBondContact O-N 3.25Å; N1063-F1268 PolarHBondContact OD1-O 3.23Å; H1064-F1268 CarbonylContact C-O 3.38Å; H1064-F1268 WeakPolarHBondContact CA-O 3.08Å; H1064-F1268 WeakPolarHBondContact CB-O 3.45Å; H1064-F1268 PolarHBondContact N-O 2.88Å; R1065-F1268 WeakPolarHBondContact CG-O 3.46Å; R1065-F1268 PolarHBondContact N-O 3.07Å; S1150-F1268 WeakPolarHBondContact O-CA 3.15Å; P1152-F1268 HydrophobicContact CB-CE2 4.35Å; P1152-F1268 HydrophobicContact CB-CZ 4.14Å; P1152-F1268 HydrophobicContact CG-CD2 4.28Å; P1152-F1268 HydrophobicContact CG-CE2 3.73Å; P1152-F1268 HydrophobicContact CG-CZ 4Å; D1153-F1268 HydrophobicContact CB-CE1 3.99Å; D1153-F1268 WeakPolarHBondContact OD1-CD1 3.22Å; D1153-F1268 WeakPolarHBondContact OD1-CE1 3.45Å |
| 1269 | E | 92.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 161.5 | -167.7 | -67.6 | -74.8 | -169.7 | 0 | 0 | 111.7 | H1064 R1065 S1149 S1150 I1159 S1256 A1257 D1267 | H1064-E1269 HydrophobicContact CB-CG 4.27Å; H1064-E1269 VanDerWaalsContact CB-OE1 3.25Å; H1064-E1269 WeakPolarHBondContact CB-OE1 3.33Å; H1064-E1269 VanDerWaalsContact CB-OE2 3.26Å; H1064-E1269 WeakPolarHBondContact CB-OE2 3.06Å; H1064-E1269 IonicContact CE1-OE1 3.23Å; H1064-E1269 IonicContact CG-OE1 2.71Å; H1064-E1269 IonicContact ND1-OE1 2.82Å; H1064-E1269 PolarHBondContact ND1-OE1 2.89Å; R1065-E1269 PolarHBondContact NE-O 2.97Å; S1149-E1269 VanDerWaalsContact CA-O 3.3Å; S1149-E1269 WeakPolarHBondContact CA-O 3.21Å; S1149-E1269 WeakPolarHBondContact CB-O 3.34Å; S1150-E1269 PolarHBondContact N-O 3.02Å; S1150-E1269 PolarHBondContact O-N 3.27Å; I1159-E1269 HydrophobicContact CD1-CB 3.73Å; S1256-E1269 WeakPolarHBondContact CB-OE2 3.38Å; S1256-E1269 PolarHBondContact OG-OE2 3.41Å; S1256-E1269 VanDerWaalsContact OG-OE2 3.13Å; A1257-E1269 VanDerWaalsContact CA-CD 3.48Å; A1257-E1269 WeakPolarHBondContact CA-OE2 3.36Å; A1257-E1269 HydrophobicContact CB-CB 3.91Å; A1257-E1269 HydrophobicContact CB-CG 3.89Å; A1257-E1269 PolarHBondContact N-OE2 2.88Å; A1257-E1269 VanDerWaalsContact N-OE2 3.14Å; D1267-E1269 HydrophobicContact CB-CG 4.1Å; D1267-E1269 PolarHBondContact O-N 2.85Å |
| 1270 | V | 93 | Very high | 87.5 | Confident | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 129.7 | 175.1 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | R1065 I1067 L1111 G1255 S1256 | R1065-V1270 HydrophobicContact CB-CG1 3.85Å; R1065-V1270 HydrophobicContact CG-CB 4.04Å; R1065-V1270 HydrophobicContact CG-CG1 3.8Å; I1067-V1270 HydrophobicContact CD1-CG1 4.3Å; I1067-V1270 HydrophobicContact CG1-CG1 4.18Å; L1111-V1270 HydrophobicContact CD2-CG2 4.37Å; G1255-V1270 WeakPolarHBondContact CA-O 3.31Å; S1256-V1270 PolarHBondContact N-O 3.14Å; S1256-V1270 PolarHBondContact OG-N 3.45Å; S1256-V1270 PolarHBondContact OG-O 2.88Å |
| 1271 | N | 95.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137 | 175 | -72 | 14 | 0 | 0 | 0 | 111.1 | V1148 I1159 Y1163 S1253 V1254 G1255 S1256 A1257 | V1148-N1271 PolarHBondContact N-O 3.36Å; V1148-N1271 PolarHBondContact O-N 2.96Å; V1148-N1271 VanDerWaalsContact O-O 3.08Å; I1159-N1271 HydrophobicContact CD1-CB 4.31Å; Y1163-N1271 PolarHBondContact OH-ND2 3.29Å; S1253-N1271 PolarHBondContact OG-ND2 2.77Å; V1254-N1271 CarbonylContact O-C 3.49Å; V1254-N1271 WeakPolarHBondContact O-CA 3.45Å; G1255-N1271 WeakPolarHBondContact CA-OD1 3.2Å; S1256-N1271 PolarHBondContact N-OD1 3.31Å; A1257-N1271 PolarHBondContact N-OD1 3.45Å |
| 1272 | T | 96.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 130.4 | 167.6 | -48.3 | 0 | 0 | 0 | 0 | 109.2 | T1077 L1101 I1103 L1145 M1147 S1253 V1254 V1274 | T1077-T1272 WeakPolarHBondContact CG2-OG1 3.49Å; L1101-T1272 HydrophobicContact CD1-CG2 3.97Å; I1103-T1272 HydrophobicContact CD1-CG2 4.44Å; L1145-T1272 HydrophobicContact CB-CG2 4.34Å; L1145-T1272 HydrophobicContact CD1-CG2 3.81Å; L1145-T1272 HydrophobicContact CD2-CG2 4.09Å; L1145-T1272 HydrophobicContact CG-CG2 4.31Å; M1147-T1272 HydrophobicContact CE-CG2 3.81Å; M1147-T1272 VanDerWaalsContact CE-OG1 3.3Å; M1147-T1272 WeakPolarHBondContact CE-OG1 3.4Å; M1147-T1272 HydrophobicContact SD-CG2 3.98Å; M1147-T1272 PolarHBondContact SD-OG1 2.91Å; S1253-T1272 WeakPolarHBondContact CA-O 3.26Å; V1254-T1272 PolarHBondContact N-O 2.97Å; V1254-T1272 PolarHBondContact O-N 3.23Å; T1272-V1274 HydrophobicContact CG2-CG2 3.86Å |
| 1273 | I | 96.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 110.7 | 171.6 | -50.1 | -57.5 | 0 | 0 | 0 | 107.4 | L945 L949 L1145 Q1146 V1148 T1162 M1166 I1251 A1252 S1253 Y1275 | L945-I1273 HydrophobicContact CD2-CG2 4.38Å; L949-I1273 HydrophobicContact CD1-CG1 4.47Å; L1145-I1273 CarbonylContact C-O 3.43Å; L1145-I1273 WeakPolarHBondContact CA-O 3.45Å; L1145-I1273 VanDerWaalsContact CB-O 3.31Å; L1145-I1273 WeakPolarHBondContact CB-O 3.43Å; Q1146-I1273 PolarHBondContact N-O 2.98Å; Q1146-I1273 PolarHBondContact O-N 2.87Å; V1148-I1273 HydrophobicContact CB-CG1 4.47Å; V1148-I1273 HydrophobicContact CG2-CG1 3.67Å; T1162-I1273 HydrophobicContact CG2-CD1 3.6Å; T1162-I1273 HydrophobicContact CG2-CG1 3.98Å; M1166-I1273 HydrophobicContact SD-CD1 4.21Å; I1251-I1273 HydrophobicContact CG2-CG2 3.99Å; A1252-I1273 CarbonylContact O-C 3.44Å; A1252-I1273 WeakPolarHBondContact O-CA 3.5Å; S1253-I1273 VanDerWaalsContact OG-CD1 3.27Å; S1253-I1273 WeakPolarHBondContact OG-CD1 3.4Å; I1273-Y1275 HydrophobicContact CG2-CD1 4.4Å; I1273-Y1275 HydrophobicContact CG2-CE1 3.71Å; I1273-Y1275 HydrophobicContact CG2-CE2 4.32Å |
| 1274 | V | 95.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.7 | -179.7 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | L1145 A1252 T1272 D1276 F1279 | L1145-V1274 HydrophobicContact CB-CB 4.44Å; L1145-V1274 HydrophobicContact CB-CG2 4.12Å; L1145-V1274 HydrophobicContact CD2-CG2 4.5Å; A1252-V1274 PolarHBondContact N-O 2.7Å; A1252-V1274 PolarHBondContact O-N 3.12Å; T1272-V1274 HydrophobicContact CG2-CG2 3.86Å; V1274-D1276 HydrophobicContact CG1-CB 4.4Å; V1274-F1279 HydrophobicContact CB-CD1 3.82Å; V1274-F1279 HydrophobicContact CB-CE1 4.11Å; V1274-F1279 HydrophobicContact CG1-CB 4.32Å; V1274-F1279 HydrophobicContact CG1-CD1 3.58Å; V1274-F1279 HydrophobicContact CG1-CE1 4.24Å; V1274-F1279 HydrophobicContact CG1-CG 4.16Å; V1274-F1279 HydrophobicContact CG2-CD1 3.99Å; V1274-F1279 HydrophobicContact CG2-CE1 3.78Å |
| 1275 | Y | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -107.2 | 64.1 | -178.4 | -55.4 | -70.3 | 0 | 0 | 0 | 109.7 | P935 T937 P942 L945 I946 Y957 A1144 Q1146 I1251 I1273 | P935-Y1275 WeakPolarHBondContact CB-O 3.5Å; T937-Y1275 WeakPolarHBondContact CG2-O 3.27Å; P942-Y1275 HydrophobicContact CB-CD1 3.65Å; P942-Y1275 HydrophobicContact CB-CE1 3.88Å; P942-Y1275 HydrophobicContact CG-CD1 4.44Å; L945-Y1275 HydrophobicContact CD2-CE1 4.11Å; L945-Y1275 HydrophobicContact CG-CE1 4.35Å; I946-Y1275 HydrophobicContact CD1-CD1 4.38Å; I946-Y1275 HydrophobicContact CD1-CD2 4.27Å; I946-Y1275 HydrophobicContact CD1-CE1 4.33Å; I946-Y1275 HydrophobicContact CD1-CE2 4.21Å; I946-Y1275 HydrophobicContact CD1-CG 4.33Å; I946-Y1275 HydrophobicContact CG1-CD1 4.37Å; I946-Y1275 HydrophobicContact CG1-CD2 4.18Å; I946-Y1275 HydrophobicContact CG1-CE1 3.84Å; I946-Y1275 HydrophobicContact CG1-CE2 3.62Å; I946-Y1275 VanDerWaalsContact CG1-CZ 3.41Å; Y957-Y1275 HydrophobicContact CD2-CD2 4.29Å; Y957-Y1275 HydrophobicContact CD2-CE2 4.14Å; Y957-Y1275 AromaticContact CE2-CD2 3.84Å; Y957-Y1275 HydrophobicContact CE2-CD2 3.84Å; Y957-Y1275 HydrophobicContact CE2-CE2 4.12Å; A1144-Y1275 PolarHBondContact O-N 2.96Å; Q1146-Y1275 HydrophobicContact CB-CE2 4.17Å; Q1146-Y1275 HydrophobicContact CG-CE2 4.11Å; Q1146-Y1275 PolarHBondContact OE1-OH 2.73Å; I1251-Y1275 HydrophobicContact CD1-CD1 4.3Å; I1251-Y1275 HydrophobicContact CD1-CE1 4.47Å; I1251-Y1275 HydrophobicContact CG1-CD1 4.28Å; I1251-Y1275 HydrophobicContact CG2-CD1 3.99Å; I1251-Y1275 HydrophobicContact CG2-CE1 4.15Å; I1273-Y1275 HydrophobicContact CG2-CD1 4.4Å; I1273-Y1275 HydrophobicContact CG2-CE1 3.71Å; I1273-Y1275 HydrophobicContact CG2-CE2 4.32Å | ||
| 1276 | D | 92.7 | Very high | 91.7 | Very high | 17 Ų | 17 | 26.5 Ų | 26.5 | 9% | 0.091 | 13% | 0.13 | C | C | . | . | trans | -148.8 | 143.8 | 174.2 | -176.5 | 65.2 | 0 | 0 | 0 | 112.5 | T936 L1143 V1274 E1278 F1279 A1280 | T936-D1276 WeakPolarHBondContact CB-OD1 3.45Å; T936-D1276 PolarHBondContact OG1-OD1 2.9Å; L1143-D1276 HydrophobicContact CD2-CB 3.56Å; V1274-D1276 HydrophobicContact CG1-CB 4.4Å; D1276-E1278 WeakPolarHBondContact OD2-CA 3.49Å; D1276-E1278 WeakPolarHBondContact OD2-CB 3.34Å; D1276-E1278 PolarHBondContact OD2-N 2.97Å; D1276-F1279 HydrophobicContact CB-CB 4.4Å; D1276-F1279 PolarHBondContact OD2-N 3.4Å; D1276-F1279 VanDerWaalsContact OD2-N 3.09Å; D1276-A1280 WeakPolarHBondContact O-CB 3.31Å; D1276-A1280 PolarHBondContact O-N 2.72Å; D1276-A1280 VanDerWaalsContact O-N 3.08Å | ||
| 1277 | A | 90.2 | Very high | 93.2 | Very high | 14 Ų | 14 | 24.6 Ų | 24.6 | 12% | 0.116 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -74.7 | -39.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T936 N938 A1280 E1281 | T936-A1277 WeakPolarHBondContact O-CB 3.41Å; T936-A1277 PolarHBondContact O-N 3.08Å; N938-A1277 HydrophobicContact CB-CB 4.38Å; N938-A1277 VanDerWaalsContact ND2-CB 3.29Å; N938-A1277 WeakPolarHBondContact ND2-CB 3.41Å; A1277-A1280 PolarHBondContact O-N 3.26Å; A1277-E1281 VanDerWaalsContact O-CB 3.28Å; A1277-E1281 WeakPolarHBondContact O-CB 3.4Å; A1277-E1281 WeakPolarHBondContact O-CG 3.5Å; A1277-E1281 PolarHBondContact O-N 3.22Å |
| 1278 | E | 90.8 | Very high | 94.1 | Very high | 165 Ų | 165 | 27.7 Ų | 27.7 | 77% | 0.771 | 13% | 0.132 | S | C | * | . | H | α-helix | trans | -69.7 | -44 | -177.9 | -169.3 | 166.3 | -167.6 | 0 | 0 | 109.7 | D1276 E1281 E1282 | D1276-E1278 WeakPolarHBondContact OD2-CA 3.49Å; D1276-E1278 WeakPolarHBondContact OD2-CB 3.34Å; D1276-E1278 PolarHBondContact OD2-N 2.97Å; E1278-E1281 PolarHBondContact O-N 2.9Å; E1278-E1282 PolarHBondContact O-N 3.42Å |
| 1279 | F | 94.2 | Very high | 94.5 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.5 | -36.2 | 174 | -170.4 | -100.6 | 0 | 0 | 0 | 113.6 | V963 L965 L1101 L1143 V1274 D1276 E1281 E1282 L1283 | V963-F1279 HydrophobicContact CB-CE2 4.39Å; V963-F1279 HydrophobicContact CG1-CE2 3.9Å; V963-F1279 HydrophobicContact CG1-CZ 3.93Å; L965-F1279 HydrophobicContact CB-CE2 4.05Å; L965-F1279 HydrophobicContact CB-CZ 4.33Å; L1101-F1279 HydrophobicContact CD2-CZ 3.73Å; L1143-F1279 HydrophobicContact CD2-CB 4.02Å; V1274-F1279 HydrophobicContact CB-CD1 3.82Å; V1274-F1279 HydrophobicContact CB-CE1 4.11Å; V1274-F1279 HydrophobicContact CG1-CB 4.32Å; V1274-F1279 HydrophobicContact CG1-CD1 3.58Å; V1274-F1279 HydrophobicContact CG1-CE1 4.24Å; V1274-F1279 HydrophobicContact CG1-CG 4.16Å; V1274-F1279 HydrophobicContact CG2-CD1 3.99Å; V1274-F1279 HydrophobicContact CG2-CE1 3.78Å; D1276-F1279 HydrophobicContact CB-CB 4.4Å; D1276-F1279 PolarHBondContact OD2-N 3.4Å; D1276-F1279 VanDerWaalsContact OD2-N 3.09Å; F1279-E1281 VanDerWaalsContact C-N 3.32Å; F1279-E1282 PolarHBondContact O-N 3.31Å; F1279-L1283 HydrophobicContact CD1-CD1 3.94Å; F1279-L1283 HydrophobicContact CE1-CD1 3.49Å; F1279-L1283 VanDerWaalsContact CE1-CD1 3.49Å; F1279-L1283 HydrophobicContact CE1-CG 4.23Å; F1279-L1283 HydrophobicContact CZ-CD1 4.15Å; F1279-L1283 HydrophobicContact CZ-CG 4.48Å; F1279-L1283 PolarHBondContact O-N 3.06Å; F1279-L1283 VanDerWaalsContact O-N 3.09Å |
| 1280 | A | 93.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.4 | -31.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1246 A1252 D1276 A1277 R1284 | I1246-A1280 HydrophobicContact CG2-CB 4.21Å; A1252-A1280 HydrophobicContact CB-CB 4.37Å; D1276-A1280 WeakPolarHBondContact O-CB 3.31Å; D1276-A1280 PolarHBondContact O-N 2.72Å; D1276-A1280 VanDerWaalsContact O-N 3.08Å; A1277-A1280 PolarHBondContact O-N 3.26Å; A1280-R1284 WeakPolarHBondContact O-CB 3.45Å; A1280-R1284 PolarHBondContact O-N 2.69Å |
| 1281 | E | 92.8 | Very high | 94.9 | Very high | 54 Ų | 54 | 34.4 Ų | 34.4 | 25% | 0.252 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -73.3 | -38.3 | 172.4 | -75.4 | -71.6 | 165.7 | 0 | 0 | 111.9 | A1277 E1278 F1279 L1283 R1284 D1285 | A1277-E1281 VanDerWaalsContact O-CB 3.28Å; A1277-E1281 WeakPolarHBondContact O-CB 3.4Å; A1277-E1281 WeakPolarHBondContact O-CG 3.5Å; A1277-E1281 PolarHBondContact O-N 3.22Å; E1278-E1281 PolarHBondContact O-N 2.9Å; F1279-E1281 VanDerWaalsContact C-N 3.32Å; E1281-L1283 PolarHBondContact O-N 2.86Å; E1281-R1284 CarbonylContact O-C 3.58Å; E1281-R1284 WeakPolarHBondContact O-CA 3.19Å; E1281-R1284 WeakPolarHBondContact O-CB 3.32Å; E1281-R1284 PolarHBondContact O-N 3.4Å; E1281-R1284 IonicContact OE1-CZ 3.74Å; E1281-R1284 IonicContact OE1-NE 2.8Å; E1281-R1284 IonicContact OE1-NH1 2.62Å; E1281-R1284 PolarHBondContact OE1-NH1 2.85Å; E1281-R1284 IonicContact OE1-NH2 2.67Å; E1281-R1284 PolarHBondContact OE1-NH2 3.47Å; E1281-R1284 IonicContact OE2-CZ 3.69Å; E1281-R1284 IonicContact OE2-NE 2.73Å; E1281-R1284 PolarHBondContact OE2-NE 3.13Å; E1281-R1284 VanDerWaalsContact OE2-NE 3.14Å; E1281-R1284 IonicContact OE2-NH1 3.58Å; E1281-R1284 IonicContact OE2-NH2 3.62Å; E1281-R1284 PolarHBondContact OE2-NH2 3.43Å; E1281-D1285 PolarHBondContact O-N 2.91Å |
| 1282 | E | 94.7 | Very high | 94.9 | Very high | 93 Ų | 93 | 42.2 Ų | 42.2 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.6 | -48.2 | 171.5 | -172.4 | -171.1 | 178.2 | 0 | 0 | 111.6 | L965 E1278 F1279 R1284 D1285 A1286 | L965-E1282 HydrophobicContact CD2-CG 4.31Å; E1278-E1282 PolarHBondContact O-N 3.42Å; F1279-E1282 PolarHBondContact O-N 3.31Å; E1282-R1284 VanDerWaalsContact C-N 3.28Å; E1282-R1284 PolarHBondContact O-N 3.25Å; E1282-D1285 PolarHBondContact O-N 2.9Å; E1282-A1286 PolarHBondContact O-N 2.82Å |
| 1283 | L | 95.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -33.1 | 173.5 | -81.5 | 168.3 | 0 | 0 | 0 | 112.6 | L965 T1244 I1246 A1252 V1254 F1279 E1281 A1286 F1287 | L965-L1283 HydrophobicContact CD1-CD2 3.83Å; L965-L1283 HydrophobicContact CD2-CD2 3.55Å; L965-L1283 HydrophobicContact CD2-CG 3.99Å; L965-L1283 HydrophobicContact CG-CD2 4.35Å; T1244-L1283 HydrophobicContact CG2-CD2 4.36Å; I1246-L1283 HydrophobicContact CD1-CB 3.75Å; I1246-L1283 HydrophobicContact CG1-CB 4.49Å; A1252-L1283 HydrophobicContact CB-CD1 3.55Å; V1254-L1283 HydrophobicContact CG2-CD1 3.61Å; V1254-L1283 HydrophobicContact CG2-CD2 3.92Å; V1254-L1283 HydrophobicContact CG2-CG 4.46Å; F1279-L1283 HydrophobicContact CD1-CD1 3.94Å; F1279-L1283 HydrophobicContact CE1-CD1 3.49Å; F1279-L1283 VanDerWaalsContact CE1-CD1 3.49Å; F1279-L1283 HydrophobicContact CE1-CG 4.23Å; F1279-L1283 HydrophobicContact CZ-CD1 4.15Å; F1279-L1283 HydrophobicContact CZ-CG 4.48Å; F1279-L1283 PolarHBondContact O-N 3.06Å; F1279-L1283 VanDerWaalsContact O-N 3.09Å; E1281-L1283 PolarHBondContact O-N 2.86Å; L1283-A1286 PolarHBondContact O-N 3.04Å; L1283-F1287 WeakPolarHBondContact O-CB 3.44Å; L1283-F1287 PolarHBondContact O-N 2.77Å |
| 1284 | R | 94.9 | Very high | 94.9 | Very high | 61 Ų | 61 | 47.5 Ų | 47.5 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.7 | -38.6 | 176 | -169.5 | 175.8 | 84.9 | -168.6 | -5.1 | 111.9 | E1173 L1175 I1246 A1280 E1281 E1282 A1286 F1287 Y1288 | E1173-R1284 IonicContact OE1-CZ 3.55Å; E1173-R1284 IonicContact OE1-NH1 2.72Å; E1173-R1284 PolarHBondContact OE1-NH1 2.94Å; E1173-R1284 VanDerWaalsContact OE1-NH1 3.11Å; L1175-R1284 HydrophobicContact CD1-CB 4.46Å; L1175-R1284 HydrophobicContact CD1-CG 3.56Å; I1246-R1284 HydrophobicContact CD1-CB 4.29Å; A1280-R1284 WeakPolarHBondContact O-CB 3.45Å; A1280-R1284 PolarHBondContact O-N 2.69Å; E1281-R1284 CarbonylContact O-C 3.58Å; E1281-R1284 WeakPolarHBondContact O-CA 3.19Å; E1281-R1284 WeakPolarHBondContact O-CB 3.32Å; E1281-R1284 PolarHBondContact O-N 3.4Å; E1281-R1284 IonicContact OE1-CZ 3.74Å; E1281-R1284 IonicContact OE1-NE 2.8Å; E1281-R1284 IonicContact OE1-NH1 2.62Å; E1281-R1284 PolarHBondContact OE1-NH1 2.85Å; E1281-R1284 IonicContact OE1-NH2 2.67Å; E1281-R1284 PolarHBondContact OE1-NH2 3.47Å; E1281-R1284 IonicContact OE2-CZ 3.69Å; E1281-R1284 IonicContact OE2-NE 2.73Å; E1281-R1284 PolarHBondContact OE2-NE 3.13Å; E1281-R1284 VanDerWaalsContact OE2-NE 3.14Å; E1281-R1284 IonicContact OE2-NH1 3.58Å; E1281-R1284 IonicContact OE2-NH2 3.62Å; E1281-R1284 PolarHBondContact OE2-NH2 3.43Å; E1282-R1284 VanDerWaalsContact C-N 3.28Å; E1282-R1284 PolarHBondContact O-N 3.25Å; R1284-A1286 VanDerWaalsContact C-N 3.35Å; R1284-F1287 WeakPolarHBondContact O-CB 3.44Å; R1284-F1287 PolarHBondContact O-N 2.85Å; R1284-Y1288 HydrophobicContact CG-CD2 3.77Å; R1284-Y1288 HydrophobicContact CG-CE2 3.61Å; R1284-Y1288 VanDerWaalsContact O-CD2 3.31Å; R1284-Y1288 WeakPolarHBondContact O-CD2 3.19Å; R1284-Y1288 PolarHBondContact O-N 3.27Å |
| 1285 | D | 95.9 | Very high | 94.7 | Very high | 87 Ų | 87 | 52.1 Ų | 52.1 | 47% | 0.465 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.1 | -36.7 | 173.5 | -98.2 | 16.4 | 0 | 0 | 0 | 111.5 | E1281 E1282 Y1288 K1289 | E1281-D1285 PolarHBondContact O-N 2.91Å; E1282-D1285 PolarHBondContact O-N 2.9Å; D1285-Y1288 PolarHBondContact O-N 3.49Å; D1285-K1289 WeakPolarHBondContact O-CB 3.16Å; D1285-K1289 VanDerWaalsContact O-CD 3.3Å; D1285-K1289 WeakPolarHBondContact O-CD 3.34Å; D1285-K1289 WeakPolarHBondContact O-CG 3.35Å; D1285-K1289 PolarHBondContact O-N 3.49Å |
| 1286 | A | 95.4 | Very high | 94.7 | Very high | 8 Ų | 8 | 56.2 Ų | 56.2 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.9 | -48 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T967 E1282 L1283 R1284 Y1288 K1289 D1290 | T967-A1286 HydrophobicContact CG2-CB 4.17Å; E1282-A1286 PolarHBondContact O-N 2.82Å; L1283-A1286 PolarHBondContact O-N 3.04Å; R1284-A1286 VanDerWaalsContact C-N 3.35Å; A1286-Y1288 VanDerWaalsContact C-N 3.33Å; A1286-Y1288 PolarHBondContact O-N 2.86Å; A1286-K1289 PolarHBondContact O-N 2.72Å; A1286-D1290 PolarHBondContact O-N 3.11Å |
| 1287 | F | 97.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.2 | -44.8 | 175.5 | -174.1 | -72.1 | 0 | 0 | 0 | 112.4 | L1175 I1176 Q1177 R1202 Q1204 L1283 R1284 D1290 S1291 | L1175-F1287 HydrophobicContact CB-CD2 4.06Å; L1175-F1287 HydrophobicContact CB-CE2 3.99Å; L1175-F1287 HydrophobicContact CB-CG 4.49Å; L1175-F1287 HydrophobicContact CB-CZ 4.37Å; I1176-F1287 WeakPolarHBondContact O-CE2 3.43Å; Q1177-F1287 HydrophobicContact CG-CD2 3.51Å; Q1177-F1287 HydrophobicContact CG-CE2 3.64Å; R1202-F1287 HydrophobicContact CB-CZ 4.47Å; R1202-F1287 VanDerWaalsContact CD-CE1 3.46Å; R1202-F1287 HydrophobicContact CG-CE1 3.96Å; R1202-F1287 HydrophobicContact CG-CZ 3.96Å; Q1204-F1287 HydrophobicContact CB-CZ 4.43Å; Q1204-F1287 VanDerWaalsContact CD-CZ 3.5Å; Q1204-F1287 HydrophobicContact CG-CE1 4.22Å; Q1204-F1287 HydrophobicContact CG-CE2 4.24Å; Q1204-F1287 HydrophobicContact CG-CZ 3.75Å; Q1204-F1287 PolarHBondContact NE2-O 3.34Å; L1283-F1287 WeakPolarHBondContact O-CB 3.44Å; L1283-F1287 PolarHBondContact O-N 2.77Å; R1284-F1287 WeakPolarHBondContact O-CB 3.44Å; R1284-F1287 PolarHBondContact O-N 2.85Å; F1287-D1290 WeakPolarHBondContact O-CB 3.42Å; F1287-D1290 PolarHBondContact O-N 3.44Å; F1287-S1291 PolarHBondContact O-N 3.45Å |
| 1288 | Y | 97.4 | Very high | 94.8 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 26% | 0.259 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -75.5 | -28.3 | 179.8 | -77.1 | -60.7 | 0 | 0 | 0 | 113.4 | R1284 D1285 A1286 D1290 S1291 M1292 | R1284-Y1288 HydrophobicContact CG-CD2 3.77Å; R1284-Y1288 HydrophobicContact CG-CE2 3.61Å; R1284-Y1288 VanDerWaalsContact O-CD2 3.31Å; R1284-Y1288 WeakPolarHBondContact O-CD2 3.19Å; R1284-Y1288 PolarHBondContact O-N 3.27Å; D1285-Y1288 PolarHBondContact O-N 3.49Å; A1286-Y1288 VanDerWaalsContact C-N 3.33Å; A1286-Y1288 PolarHBondContact O-N 2.86Å; Y1288-D1290 VanDerWaalsContact C-N 3.28Å; Y1288-D1290 PolarHBondContact O-N 3.02Å; Y1288-S1291 WeakPolarHBondContact O-CB 3.5Å; Y1288-S1291 PolarHBondContact O-N 3.05Å; Y1288-M1292 WeakPolarHBondContact O-CG 3.33Å; Y1288-M1292 PolarHBondContact O-N 3.01Å |
| 1289 | K | 95.6 | Very high | 94.4 | Very high | 121 Ų | 121 | 52.3 Ų | 52.3 | 53% | 0.526 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.8 | -34.1 | 167 | -70.1 | 159 | -165.7 | 162.1 | 0 | 111.8 | D1285 A1286 | D1285-K1289 WeakPolarHBondContact O-CB 3.16Å; D1285-K1289 VanDerWaalsContact O-CD 3.3Å; D1285-K1289 WeakPolarHBondContact O-CD 3.34Å; D1285-K1289 WeakPolarHBondContact O-CG 3.35Å; D1285-K1289 PolarHBondContact O-N 3.49Å; A1286-K1289 PolarHBondContact O-N 2.72Å |
| 1290 | D | 97.1 | Very high | 94 | Very high | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74.1 | -33.2 | 171.6 | -69.2 | -42.8 | 0 | 0 | 0 | 112.5 | R1097 Q1177 Y1235 A1286 F1287 Y1288 M1292 K1293 S1294 | R1097-D1290 VanDerWaalsContact CD-OD1 3.27Å; R1097-D1290 WeakPolarHBondContact CD-OD1 3.35Å; R1097-D1290 WeakPolarHBondContact CG-OD1 3.38Å; R1097-D1290 IonicContact CZ-OD2 2.69Å; R1097-D1290 IonicContact NE-OD1 3.54Å; R1097-D1290 PolarHBondContact NE-OD1 3.23Å; R1097-D1290 IonicContact NE-OD2 3.05Å; R1097-D1290 PolarHBondContact NE-OD2 2.87Å; R1097-D1290 IonicContact NH2-OD2 2.67Å; R1097-D1290 PolarHBondContact NH2-OD2 3.5Å; Q1177-D1290 PolarHBondContact NE2-OD2 2.88Å; Q1177-D1290 VanDerWaalsContact NE2-OD2 3.12Å; Y1235-D1290 HydrophobicContact CD2-CB 4.22Å; Y1235-D1290 HydrophobicContact CE2-CB 3.7Å; Y1235-D1290 WeakPolarHBondContact CE2-OD1 3.43Å; Y1235-D1290 PolarHBondContact OH-OD1 2.93Å; A1286-D1290 PolarHBondContact O-N 3.11Å; F1287-D1290 WeakPolarHBondContact O-CB 3.42Å; F1287-D1290 PolarHBondContact O-N 3.44Å; Y1288-D1290 VanDerWaalsContact C-N 3.28Å; Y1288-D1290 PolarHBondContact O-N 3.02Å; D1290-M1292 VanDerWaalsContact C-N 3.32Å; D1290-M1292 PolarHBondContact O-N 3.25Å; D1290-K1293 CarbonylContact O-C 3.53Å; D1290-K1293 WeakPolarHBondContact O-CA 3.27Å; D1290-K1293 WeakPolarHBondContact O-CB 3.43Å; D1290-K1293 PolarHBondContact O-N 2.95Å; D1290-S1294 PolarHBondContact O-N 3.15Å; D1290-S1294 PolarHBondContact O-OG 3.01Å |
| 1291 | S | 95.5 | Very high | 93.6 | Very high | 22 Ų | 22 | 62.3 Ų | 62.3 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 174.7 | -165.1 | 0 | 0 | 0 | 0 | 111.6 | Q1204 E1233 F1287 Y1288 K1293 S1294 | Q1204-S1291 VanDerWaalsContact NE2-CA 3.3Å; Q1204-S1291 VanDerWaalsContact NE2-N 3.18Å; E1233-S1291 PolarHBondContact OE1-OG 3.22Å; E1233-S1291 VanDerWaalsContact OE1-OG 3.13Å; E1233-S1291 WeakPolarHBondContact OE2-CA 3.26Å; E1233-S1291 VanDerWaalsContact OE2-CB 3.27Å; E1233-S1291 WeakPolarHBondContact OE2-CB 3.38Å; E1233-S1291 PolarHBondContact OE2-OG 3.34Å; F1287-S1291 PolarHBondContact O-N 3.45Å; Y1288-S1291 WeakPolarHBondContact O-CB 3.5Å; Y1288-S1291 PolarHBondContact O-N 3.05Å; S1291-K1293 PolarHBondContact O-N 3.08Å; S1291-K1293 VanDerWaalsContact O-N 3.14Å; S1291-S1294 PolarHBondContact O-N 3.24Å; S1291-S1294 VanDerWaalsContact O-N 3.09Å |
| 1292 | M | 96.3 | Very high | 93.5 | Very high | 165 Ų | 165 | 60.5 Ų | 60.5 | 81% | 0.813 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.2 | 171.5 | -65.7 | 178 | -166 | 0 | 0 | 114.1 | Y1288 D1290 | Y1288-M1292 WeakPolarHBondContact O-CG 3.33Å; Y1288-M1292 PolarHBondContact O-N 3.01Å; D1290-M1292 VanDerWaalsContact C-N 3.32Å; D1290-M1292 PolarHBondContact O-N 3.25Å |
| 1293 | K | 95.4 | Very high | 93 | Very high | 87 Ų | 87 | 60.1 Ų | 60.1 | 38% | 0.378 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 12.9 | 177.2 | -64 | 174.1 | 175.2 | -175.8 | 0 | 112.6 | Y1235 E1236 N1237 D1290 S1291 | Y1235-K1293 HydrophobicContact CE2-CB 3.95Å; Y1235-K1293 HydrophobicContact CE2-CD 4.37Å; E1236-K1293 PolarHBondContact N-O 3.02Å; N1237-K1293 HydrophobicContact CB-CB 3.83Å; N1237-K1293 HydrophobicContact CB-CD 3.96Å; N1237-K1293 HydrophobicContact CB-CG 4.19Å; N1237-K1293 PolarHBondContact N-O 3.49Å; D1290-K1293 CarbonylContact O-C 3.53Å; D1290-K1293 WeakPolarHBondContact O-CA 3.27Å; D1290-K1293 WeakPolarHBondContact O-CB 3.43Å; D1290-K1293 PolarHBondContact O-N 2.95Å; S1291-K1293 PolarHBondContact O-N 3.08Å; S1291-K1293 VanDerWaalsContact O-N 3.14Å |
| 1294 | S | 97.1 | Very high | 92.6 | Very high | 25 Ų | 25 | 66.8 Ų | 66.8 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 150.5 | -174.4 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | T1234 Y1235 D1290 S1291 | T1234-S1294 CarbonylContact O-C 3.43Å; T1234-S1294 WeakPolarHBondContact O-CA 3.12Å; T1234-S1294 VanDerWaalsContact O-CB 3.26Å; T1234-S1294 WeakPolarHBondContact O-CB 3.38Å; Y1235-S1294 WeakPolarHBondContact CD2-OG 3.4Å; D1290-S1294 PolarHBondContact O-N 3.15Å; D1290-S1294 PolarHBondContact O-OG 3.01Å; S1291-S1294 PolarHBondContact O-N 3.24Å; S1291-S1294 VanDerWaalsContact O-N 3.09Å |
| 1295 | E | 93.1 | Very high | 92.3 | Very high | 97 Ų | 97 | 65.6 Ų | 65.6 | 45% | 0.453 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 137.8 | 172.3 | -165.4 | 176 | 155.2 | 0 | 0 | 110.8 | E1233 T1234 E1236 L1297 K1301 | E1233-E1295 WeakPolarHBondContact CA-O 3.27Å; T1234-E1295 PolarHBondContact N-O 2.71Å; T1234-E1295 PolarHBondContact O-N 3.13Å; T1234-E1295 PolarHBondContact OG1-O 3.04Å; E1236-E1295 HydrophobicContact CG-CB 3.95Å; E1295-L1297 PolarHBondContact O-N 3.09Å; E1295-K1301 IonicContact OE1-NZ 3.94Å; E1295-K1301 PolarHBondContact OE1-NZ 2.78Å |
| 1296 | L | 94.5 | Very high | 91.6 | Very high | 87 Ų | 87 | 63.5 Ų | 63.5 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 120.4 | 176.2 | -179.1 | 66.8 | 0 | 0 | 0 | 110.7 | I1231 T1298 K1301 | I1231-L1296 HydrophobicContact CG2-CD1 3.62Å; L1296-T1298 HydrophobicContact CD2-CG2 4Å; L1296-T1298 HydrophobicContact CG-CG2 4.09Å; L1296-T1298 PolarHBondContact O-N 3.29Å; L1296-K1301 PolarHBondContact O-NZ 2.84Å |
| 1297 | L | 93 | Very high | 90.7 | Very high | 8 Ų | 8 | 70.2 Ų | 70.2 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 111.1 | 167.1 | -180 | 61 | 0 | 0 | 0 | 109 | Y1219 A1223 L1226 I1232 E1295 K1301 | Y1219-L1297 HydrophobicContact CD2-CD2 4.34Å; Y1219-L1297 HydrophobicContact CE2-CD1 4.17Å; Y1219-L1297 HydrophobicContact CE2-CD2 3.78Å; Y1219-L1297 VanDerWaalsContact OH-CD1 3.31Å; Y1219-L1297 WeakPolarHBondContact OH-CD1 3.43Å; A1223-L1297 HydrophobicContact CB-CD2 4.29Å; L1226-L1297 HydrophobicContact CD1-CD2 4.16Å; L1226-L1297 HydrophobicContact CD1-CG 4.04Å; L1226-L1297 WeakPolarHBondContact CD2-O 3.3Å; I1232-L1297 HydrophobicContact CB-CB 4.31Å; I1232-L1297 HydrophobicContact CB-CD2 4.43Å; I1232-L1297 HydrophobicContact CG2-CB 4.42Å; I1232-L1297 HydrophobicContact CG2-CD2 4.1Å; I1232-L1297 WeakPolarHBondContact O-CB 3.44Å; I1232-L1297 PolarHBondContact O-N 2.82Å; E1295-L1297 PolarHBondContact O-N 3.09Å; L1297-K1301 HydrophobicContact CD1-CB 4.31Å |
| 1298 | T | 90.4 | Very high | 89.6 | Confident | 49 Ų | 49 | 75 Ų | 75 | 30% | 0.301 | 38% | 0.378 | S | S | . | . | trans | -96.4 | 153.9 | 174.3 | 65.1 | 0 | 0 | 0 | 0 | 110.7 | L1296 E1300 K1301 Y1302 | L1296-T1298 HydrophobicContact CD2-CG2 4Å; L1296-T1298 HydrophobicContact CG-CG2 4.09Å; L1296-T1298 PolarHBondContact O-N 3.29Å; T1298-E1300 PolarHBondContact O-N 2.84Å; T1298-K1301 PolarHBondContact O-N 3.05Å; T1298-K1301 VanDerWaalsContact O-N 3.13Å; T1298-K1301 WeakPolarHBondContact OG1-CG 3.45Å; T1298-K1301 PolarHBondContact OG1-N 2.93Å; T1298-Y1302 PolarHBondContact O-N 3.27Å | ||
| 1299 | Q | 83.5 | Confident | 88.9 | Confident | 56 Ų | 56 | 74.4 Ų | 74.4 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -50.5 | -42.5 | 172.1 | -174.6 | 66.2 | 37.6 | 0 | 0 | 111.5 | Y1302 D1303 | Q1299-Y1302 PolarHBondContact O-N 2.85Å; Q1299-D1303 WeakPolarHBondContact CG-OD2 3.46Å; Q1299-D1303 PolarHBondContact NE2-OD1 3.15Å; Q1299-D1303 PolarHBondContact NE2-OD2 3.4Å; Q1299-D1303 WeakPolarHBondContact O-CB 3.23Å; Q1299-D1303 PolarHBondContact O-N 3.44Å |
| 1300 | E | 85 | Confident | 88.3 | Confident | 134 Ų | 134 | 72.6 Ų | 72.6 | 63% | 0.626 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.1 | -45.8 | 178.2 | -179.4 | 172.8 | -163.9 | 0 | 0 | 113 | T1298 Y1302 D1303 Q1304 | T1298-E1300 PolarHBondContact O-N 2.84Å; E1300-Y1302 VanDerWaalsContact C-N 3.32Å; E1300-Y1302 PolarHBondContact O-N 2.9Å; E1300-D1303 PolarHBondContact O-N 2.93Å; E1300-Q1304 VanDerWaalsContact CG-NE2 3.29Å; E1300-Q1304 WeakPolarHBondContact O-CB 3.31Å; E1300-Q1304 VanDerWaalsContact O-CG 3.23Å; E1300-Q1304 WeakPolarHBondContact O-CG 3.43Å; E1300-Q1304 PolarHBondContact O-N 2.99Å; E1300-Q1304 PolarHBondContact OE1-NE2 2.72Å |
| 1301 | K | 85.1 | Confident | 87.3 | Confident | 83 Ų | 83 | 78.8 Ų | 78.8 | 36% | 0.361 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 173.9 | -74.1 | 178.2 | -171.7 | 175.7 | 0 | 111.3 | E1295 L1296 L1297 T1298 | E1295-K1301 IonicContact OE1-NZ 3.94Å; E1295-K1301 PolarHBondContact OE1-NZ 2.78Å; L1296-K1301 PolarHBondContact O-NZ 2.84Å; L1297-K1301 HydrophobicContact CD1-CB 4.31Å; T1298-K1301 PolarHBondContact O-N 3.05Å; T1298-K1301 VanDerWaalsContact O-N 3.13Å; T1298-K1301 WeakPolarHBondContact OG1-CG 3.45Å; T1298-K1301 PolarHBondContact OG1-N 2.93Å |
| 1302 | Y | 90.4 | Very high | 86.6 | Confident | 17 Ų | 17 | 82.1 Ų | 82.1 | 7% | 0.067 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 178.5 | -173.9 | -121 | 0 | 0 | 0 | 110.9 | Y1219 A1223 T1298 Q1299 E1300 Q1304 R1305 | Y1219-Y1302 HydrophobicContact CD1-CD2 4.36Å; Y1219-Y1302 AromaticContact CD1-CE2 4Å; Y1219-Y1302 HydrophobicContact CD1-CE2 4Å; Y1219-Y1302 AromaticContact CE1-CD2 3.67Å; Y1219-Y1302 HydrophobicContact CE1-CD2 3.67Å; Y1219-Y1302 AromaticContact CE1-CE2 3.74Å; Y1219-Y1302 HydrophobicContact CE1-CE2 3.74Å; A1223-Y1302 HydrophobicContact CB-CD1 3.87Å; A1223-Y1302 HydrophobicContact CB-CD2 3.69Å; A1223-Y1302 HydrophobicContact CB-CE1 3.55Å; A1223-Y1302 HydrophobicContact CB-CE2 3.39Å; A1223-Y1302 HydrophobicContact CB-CG 3.92Å; T1298-Y1302 PolarHBondContact O-N 3.27Å; Q1299-Y1302 PolarHBondContact O-N 2.85Å; E1300-Y1302 VanDerWaalsContact C-N 3.32Å; E1300-Y1302 PolarHBondContact O-N 2.9Å; Y1302-Q1304 PolarHBondContact O-N 3.4Å; Y1302-R1305 WeakPolarHBondContact O-CB 3.42Å; Y1302-R1305 WeakPolarHBondContact O-CD 3.24Å; Y1302-R1305 WeakPolarHBondContact O-CG 3.49Å; Y1302-R1305 PolarHBondContact O-N 2.8Å; Y1302-R1305 PolarHBondContact O-NH1 3.25Å; Y1302-R1305 PolarHBondContact OH-NH2 3.11Å |
| 1303 | D | 84.9 | Confident | 85.9 | Confident | 85 Ų | 85 | 74.5 Ų | 74.5 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.8 | -32.3 | -177.6 | -73.5 | -32.8 | 0 | 0 | 0 | 113.3 | Q1299 E1300 R1305 K1310 | Q1299-D1303 WeakPolarHBondContact CG-OD2 3.46Å; Q1299-D1303 PolarHBondContact NE2-OD1 3.15Å; Q1299-D1303 PolarHBondContact NE2-OD2 3.4Å; Q1299-D1303 WeakPolarHBondContact O-CB 3.23Å; Q1299-D1303 PolarHBondContact O-N 3.44Å; E1300-D1303 PolarHBondContact O-N 2.93Å; D1303-R1305 PolarHBondContact O-N 3.08Å; D1303-K1310 PolarHBondContact O-NZ 3.13Å |
| 1304 | Q | 87.1 | Confident | 84.9 | Confident | 141 Ų | 141 | 71.9 Ų | 71.9 | 66% | 0.659 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -13.3 | 175.1 | -73 | 177.4 | 16.8 | 0 | 0 | 114.4 | E1300 Y1302 | E1300-Q1304 VanDerWaalsContact CG-NE2 3.29Å; E1300-Q1304 WeakPolarHBondContact O-CB 3.31Å; E1300-Q1304 VanDerWaalsContact O-CG 3.23Å; E1300-Q1304 WeakPolarHBondContact O-CG 3.43Å; E1300-Q1304 PolarHBondContact O-N 2.99Å; E1300-Q1304 PolarHBondContact OE1-NE2 2.72Å; Y1302-Q1304 PolarHBondContact O-N 3.4Å |
| 1305 | R | 88.9 | Confident | 83.8 | Confident | 36 Ų | 36 | 74 Ų | 74 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | trans | -61.7 | 138.8 | -177 | 79.4 | -161.2 | -177.2 | -84.5 | 9.1 | 113 | Y1302 D1303 I1309 K1310 E1313 | Y1302-R1305 WeakPolarHBondContact O-CB 3.42Å; Y1302-R1305 WeakPolarHBondContact O-CD 3.24Å; Y1302-R1305 WeakPolarHBondContact O-CG 3.49Å; Y1302-R1305 PolarHBondContact O-N 2.8Å; Y1302-R1305 PolarHBondContact O-NH1 3.25Å; Y1302-R1305 PolarHBondContact OH-NH2 3.11Å; D1303-R1305 PolarHBondContact O-N 3.08Å; R1305-I1309 HydrophobicContact CB-CB 4.36Å; R1305-I1309 HydrophobicContact CB-CD1 4.23Å; R1305-I1309 HydrophobicContact CB-CG2 4.11Å; R1305-I1309 HydrophobicContact CG-CB 4.34Å; R1305-I1309 HydrophobicContact CG-CG2 3.91Å; R1305-K1310 HydrophobicContact CG-CD 4.33Å; R1305-K1310 HydrophobicContact CG-CG 3.94Å; R1305-K1310 WeakPolarHBondContact O-CE 3.46Å; R1305-K1310 PolarHBondContact O-NZ 3.32Å; R1305-E1313 WeakPolarHBondContact CD-OE1 3.4Å; R1305-E1313 IonicContact CZ-OE1 3.63Å; R1305-E1313 IonicContact CZ-OE2 3.5Å; R1305-E1313 IonicContact NE-OE1 3.34Å; R1305-E1313 PolarHBondContact NE-OE1 2.7Å; R1305-E1313 IonicContact NE-OE2 3.18Å; R1305-E1313 PolarHBondContact NE-OE2 3.34Å; R1305-E1313 IonicContact NH2-OE1 2.78Å; R1305-E1313 IonicContact NH2-OE2 3.49Å; R1305-E1313 PolarHBondContact NH2-OE2 3.23Å | ||
| 1306 | G | 80.6 | Confident | 82.9 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 43% | 0.433 | 36% | 0.358 | S | S | . | . | trans | -69.8 | 162.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115 | V1308 I1309 K1310 | G1306-V1308 PolarHBondContact O-N 2.86Å; G1306-V1308 VanDerWaalsContact O-N 3.17Å; G1306-I1309 WeakPolarHBondContact O-CB 3.36Å; G1306-I1309 PolarHBondContact O-N 2.64Å; G1306-K1310 PolarHBondContact O-N 2.65Å | ||
| 1307 | I | 75.9 | Confident | 81.6 | Confident | 149 Ų | 149 | 68.6 Ų | 68.6 | 76% | 0.764 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -54.6 | -37.4 | -176.8 | -69.9 | 173.6 | 0 | 0 | 0 | 112.7 | I1309 K1310 F1311 | I1307-I1309 VanDerWaalsContact C-N 3.28Å; I1307-I1309 PolarHBondContact O-N 2.63Å; I1307-K1310 PolarHBondContact O-N 3.21Å; I1307-F1311 WeakPolarHBondContact O-CB 3.37Å; I1307-F1311 PolarHBondContact O-N 2.95Å |
| 1308 | V | 74.5 | Confident | 80 | Confident | 101 Ų | 101 | 71.9 Ų | 71.9 | 61% | 0.612 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.2 | -32.2 | 178 | 180 | 0 | 0 | 0 | 0 | 112.2 | G1306 K1312 | G1306-V1308 PolarHBondContact O-N 2.86Å; G1306-V1308 VanDerWaalsContact O-N 3.17Å; V1308-K1312 WeakPolarHBondContact O-CG 3.41Å; V1308-K1312 PolarHBondContact O-N 2.69Å; V1308-K1312 VanDerWaalsContact O-N 3.09Å |
| 1309 | I | 83.6 | Confident | 78.5 | Confident | 54 Ų | 54 | 73.6 Ų | 73.6 | 28% | 0.277 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -73.5 | -49.2 | 175.4 | -69.4 | 169.7 | 0 | 0 | 0 | 109.7 | W1216 R1305 G1306 I1307 F1311 K1312 E1313 | W1216-I1309 HydrophobicContact CE3-CG2 4.08Å; W1216-I1309 HydrophobicContact CH2-CD1 4.47Å; W1216-I1309 HydrophobicContact CH2-CG1 4.06Å; W1216-I1309 HydrophobicContact CH2-CG2 4.15Å; W1216-I1309 HydrophobicContact CZ3-CB 4.41Å; W1216-I1309 HydrophobicContact CZ3-CG1 4.28Å; W1216-I1309 HydrophobicContact CZ3-CG2 3.5Å; R1305-I1309 HydrophobicContact CB-CB 4.36Å; R1305-I1309 HydrophobicContact CB-CD1 4.23Å; R1305-I1309 HydrophobicContact CB-CG2 4.11Å; R1305-I1309 HydrophobicContact CG-CB 4.34Å; R1305-I1309 HydrophobicContact CG-CG2 3.91Å; G1306-I1309 WeakPolarHBondContact O-CB 3.36Å; G1306-I1309 PolarHBondContact O-N 2.64Å; I1307-I1309 VanDerWaalsContact C-N 3.28Å; I1307-I1309 PolarHBondContact O-N 2.63Å; I1309-F1311 PolarHBondContact O-N 2.96Å; I1309-K1312 WeakPolarHBondContact O-CA 3.23Å; I1309-K1312 WeakPolarHBondContact O-CB 3.26Å; I1309-K1312 PolarHBondContact O-N 3.19Å; I1309-E1313 HydrophobicContact CG2-CG 4.39Å; I1309-E1313 VanDerWaalsContact CG2-OE1 3.3Å; I1309-E1313 WeakPolarHBondContact CG2-OE1 3.31Å; I1309-E1313 WeakPolarHBondContact O-CG 3.13Å; I1309-E1313 PolarHBondContact O-N 2.99Å |
| 1310 | K | 81.5 | Confident | 77.2 | Confident | 83 Ų | 83 | 72.4 Ų | 72.4 | 36% | 0.361 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.3 | -33 | 175.8 | -69.5 | 172.4 | 171.8 | 144.9 | 0 | 112.4 | D1303 R1305 G1306 I1307 G1314 | D1303-K1310 PolarHBondContact O-NZ 3.13Å; R1305-K1310 HydrophobicContact CG-CD 4.33Å; R1305-K1310 HydrophobicContact CG-CG 3.94Å; R1305-K1310 WeakPolarHBondContact O-CE 3.46Å; R1305-K1310 PolarHBondContact O-NZ 3.32Å; G1306-K1310 PolarHBondContact O-N 2.65Å; I1307-K1310 PolarHBondContact O-N 3.21Å; K1310-G1314 PolarHBondContact O-N 2.91Å |
| 1311 | F | 76.6 | Confident | 75.5 | Confident | 133 Ų | 133 | 69.4 Ų | 69.4 | 58% | 0.583 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -71.4 | -39.8 | 172.3 | -175.9 | -108.6 | 0 | 0 | 0 | 113.2 | I1307 I1309 G1314 I1315 | I1307-F1311 WeakPolarHBondContact O-CB 3.37Å; I1307-F1311 PolarHBondContact O-N 2.95Å; I1309-F1311 PolarHBondContact O-N 2.96Å; F1311-G1314 PolarHBondContact O-N 3.39Å; F1311-I1315 HydrophobicContact CD1-CD1 4.06Å; F1311-I1315 HydrophobicContact CE1-CD1 3.43Å; F1311-I1315 VanDerWaalsContact CE1-CD1 3.43Å; F1311-I1315 HydrophobicContact CE1-CG1 4.43Å; F1311-I1315 HydrophobicContact CE2-CD1 4.01Å; F1311-I1315 HydrophobicContact CE2-CG1 4.42Å; F1311-I1315 HydrophobicContact CZ-CD1 3.41Å; F1311-I1315 VanDerWaalsContact CZ-CD1 3.41Å; F1311-I1315 HydrophobicContact CZ-CG1 4.29Å; F1311-I1315 WeakPolarHBondContact O-CB 3.11Å; F1311-I1315 PolarHBondContact O-N 3.48Å |
| 1312 | K | 80.3 | Confident | 73.5 | Confident | 92 Ų | 92 | 71.5 Ų | 71.5 | 40% | 0.4 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 173.9 | -75.4 | 175 | -178.1 | -177.9 | 0 | 112.4 | W1216 V1308 I1309 A1316 | W1216-K1312 HydrophobicContact CD2-CB 4.09Å; W1216-K1312 HydrophobicContact CD2-CD 4.44Å; W1216-K1312 HydrophobicContact CG-CB 3.98Å; W1216-K1312 HydrophobicContact CZ2-CD 4.07Å; V1308-K1312 WeakPolarHBondContact O-CG 3.41Å; V1308-K1312 PolarHBondContact O-N 2.69Å; V1308-K1312 VanDerWaalsContact O-N 3.09Å; I1309-K1312 WeakPolarHBondContact O-CA 3.23Å; I1309-K1312 WeakPolarHBondContact O-CB 3.26Å; I1309-K1312 PolarHBondContact O-N 3.19Å; K1312-A1316 WeakPolarHBondContact O-CB 3.25Å; K1312-A1316 PolarHBondContact O-N 3.12Å |
| 1313 | E | 83.2 | Confident | 71.2 | Confident | 5 Ų | 5 | 74.6 Ų | 74.6 | 2% | 0.023 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.8 | -48.7 | 173 | -68.5 | 164.6 | 180 | 0 | 0 | 111.2 | W1216 R1305 I1309 I1315 A1316 R1317 | W1216-E1313 HydrophobicContact CE3-CG 4.17Å; R1305-E1313 WeakPolarHBondContact CD-OE1 3.4Å; R1305-E1313 IonicContact CZ-OE1 3.63Å; R1305-E1313 IonicContact CZ-OE2 3.5Å; R1305-E1313 IonicContact NE-OE1 3.34Å; R1305-E1313 PolarHBondContact NE-OE1 2.7Å; R1305-E1313 IonicContact NE-OE2 3.18Å; R1305-E1313 PolarHBondContact NE-OE2 3.34Å; R1305-E1313 IonicContact NH2-OE1 2.78Å; R1305-E1313 IonicContact NH2-OE2 3.49Å; R1305-E1313 PolarHBondContact NH2-OE2 3.23Å; I1309-E1313 HydrophobicContact CG2-CG 4.39Å; I1309-E1313 VanDerWaalsContact CG2-OE1 3.3Å; I1309-E1313 WeakPolarHBondContact CG2-OE1 3.31Å; I1309-E1313 WeakPolarHBondContact O-CG 3.13Å; I1309-E1313 PolarHBondContact O-N 2.99Å; E1313-I1315 PolarHBondContact O-N 2.84Å; E1313-A1316 PolarHBondContact O-N 3.38Å; E1313-R1317 WeakPolarHBondContact O-CG 3.24Å; E1313-R1317 PolarHBondContact O-N 3.31Å |
| 1314 | G | 74.4 | Confident | 69 | Low | 33 Ų | 33 | 72.2 Ų | 72.2 | 34% | 0.34 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57.1 | -49.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | K1310 F1311 A1316 R1317 T1318 | K1310-G1314 PolarHBondContact O-N 2.91Å; F1311-G1314 PolarHBondContact O-N 3.39Å; G1314-A1316 PolarHBondContact O-N 3.16Å; G1314-R1317 PolarHBondContact O-N 3Å; G1314-T1318 VanDerWaalsContact O-CB 3.28Å; G1314-T1318 WeakPolarHBondContact O-CB 2.94Å; G1314-T1318 PolarHBondContact O-N 3.3Å; G1314-T1318 PolarHBondContact O-OG1 3.11Å; G1314-T1318 VanDerWaalsContact O-OG1 3.04Å |
| 1315 | I | 73.3 | Confident | 66.7 | Low | 70 Ų | 70 | 67.9 Ų | 67.9 | 36% | 0.359 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 174.5 | -78.7 | -174.3 | 0 | 0 | 0 | 111.9 | F1311 E1313 T1318 L1319 | F1311-I1315 HydrophobicContact CD1-CD1 4.06Å; F1311-I1315 HydrophobicContact CE1-CD1 3.43Å; F1311-I1315 VanDerWaalsContact CE1-CD1 3.43Å; F1311-I1315 HydrophobicContact CE1-CG1 4.43Å; F1311-I1315 HydrophobicContact CE2-CD1 4.01Å; F1311-I1315 HydrophobicContact CE2-CG1 4.42Å; F1311-I1315 HydrophobicContact CZ-CD1 3.41Å; F1311-I1315 VanDerWaalsContact CZ-CD1 3.41Å; F1311-I1315 HydrophobicContact CZ-CG1 4.29Å; F1311-I1315 WeakPolarHBondContact O-CB 3.11Å; F1311-I1315 PolarHBondContact O-N 3.48Å; E1313-I1315 PolarHBondContact O-N 2.84Å; I1315-T1318 PolarHBondContact O-N 2.97Å; I1315-L1319 HydrophobicContact CG2-CD1 3.56Å; I1315-L1319 HydrophobicContact CG2-CG 4.02Å; I1315-L1319 WeakPolarHBondContact O-CB 3.41Å; I1315-L1319 WeakPolarHBondContact O-CG 3.5Å; I1315-L1319 PolarHBondContact O-N 3.03Å |
| 1316 | A | 74.5 | Confident | 64.2 | Low | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64 | -48.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1213 W1216 A1217 K1312 E1313 G1314 L1320 | L1213-A1316 HydrophobicContact CD1-CB 4.14Å; L1213-A1316 HydrophobicContact CG-CB 4.38Å; L1213-A1316 WeakPolarHBondContact O-CB 3.26Å; W1216-A1316 HydrophobicContact CB-CB 3.78Å; A1217-A1316 HydrophobicContact CB-CB 4.19Å; K1312-A1316 WeakPolarHBondContact O-CB 3.25Å; K1312-A1316 PolarHBondContact O-N 3.12Å; E1313-A1316 PolarHBondContact O-N 3.38Å; G1314-A1316 PolarHBondContact O-N 3.16Å; A1316-L1320 WeakPolarHBondContact O-CB 3.41Å; A1316-L1320 WeakPolarHBondContact O-CD1 3.41Å; A1316-L1320 WeakPolarHBondContact O-CG 3.22Å; A1316-L1320 PolarHBondContact O-N 2.93Å |
| 1317 | R | 67.6 | Low | 61.9 | Low | 69 Ų | 69 | 73.6 Ų | 73.6 | 26% | 0.26 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.5 | -51.3 | 173.3 | -65.2 | -178.5 | 92.1 | 173.1 | 13 | 111.1 | F1221 E1224 E1313 G1314 L1319 L1320 L1321 | F1221-R1317 HydrophobicContact CE2-CG 4.31Å; E1224-R1317 IonicContact OE1-CZ 3.2Å; E1224-R1317 IonicContact OE1-NH1 2.73Å; E1224-R1317 PolarHBondContact OE1-NH1 2.76Å; E1224-R1317 IonicContact OE1-NH2 3.91Å; E1224-R1317 PolarHBondContact OE1-NH2 2.89Å; E1224-R1317 IonicContact OE2-NH2 2.68Å; E1224-R1317 PolarHBondContact OE2-NH2 2.8Å; E1313-R1317 WeakPolarHBondContact O-CG 3.24Å; E1313-R1317 PolarHBondContact O-N 3.31Å; G1314-R1317 PolarHBondContact O-N 3Å; R1317-L1319 PolarHBondContact O-N 2.79Å; R1317-L1320 PolarHBondContact O-N 3.03Å; R1317-L1321 WeakPolarHBondContact O-CB 3.47Å; R1317-L1321 WeakPolarHBondContact O-CD1 3.13Å; R1317-L1321 WeakPolarHBondContact O-CG 3.37Å; R1317-L1321 PolarHBondContact O-N 2.79Å |
| 1318 | T | 59.9 | Low | 59.9 | Low | 78 Ų | 78 | 72.9 Ų | 72.9 | 48% | 0.479 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.4 | -37.9 | -177.3 | -62.1 | 0 | 0 | 0 | 0 | 112.8 | G1314 I1315 L1322 | G1314-T1318 VanDerWaalsContact O-CB 3.28Å; G1314-T1318 WeakPolarHBondContact O-CB 2.94Å; G1314-T1318 PolarHBondContact O-N 3.3Å; G1314-T1318 PolarHBondContact O-OG1 3.11Å; G1314-T1318 VanDerWaalsContact O-OG1 3.04Å; I1315-T1318 PolarHBondContact O-N 2.97Å; T1318-L1322 HydrophobicContact CG2-CD1 3.75Å; T1318-L1322 HydrophobicContact CG2-CG 4.32Å; T1318-L1322 VanDerWaalsContact O-CB 3.31Å; T1318-L1322 WeakPolarHBondContact O-CB 3.26Å; T1318-L1322 WeakPolarHBondContact O-CG 3.34Å; T1318-L1322 PolarHBondContact O-N 2.83Å |
| 1319 | L | 57.5 | Low | 58 | Low | 84 Ų | 84 | 71.6 Ų | 71.6 | 44% | 0.44 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71.8 | -44 | 175.9 | -78.8 | 178.7 | 0 | 0 | 0 | 112.1 | L1213 I1315 R1317 L1321 L1322 S1323 | L1213-L1319 HydrophobicContact CD1-CD1 4.09Å; I1315-L1319 HydrophobicContact CG2-CD1 3.56Å; I1315-L1319 HydrophobicContact CG2-CG 4.02Å; I1315-L1319 WeakPolarHBondContact O-CB 3.41Å; I1315-L1319 WeakPolarHBondContact O-CG 3.5Å; I1315-L1319 PolarHBondContact O-N 3.03Å; R1317-L1319 PolarHBondContact O-N 2.79Å; L1319-L1321 VanDerWaalsContact C-N 3.27Å; L1319-L1321 PolarHBondContact O-N 3.06Å; L1319-L1322 CarbonylContact O-C 3.55Å; L1319-L1322 PolarHBondContact O-N 3.37Å; L1319-S1323 WeakPolarHBondContact O-CB 3.29Å; L1319-S1323 PolarHBondContact O-N 2.87Å; L1319-S1323 PolarHBondContact O-OG 2.89Å; L1319-S1323 VanDerWaalsContact O-OG 3.09Å |
| 1320 | L | 57.4 | Low | 55.9 | Low | 31 Ų | 31 | 71 Ų | 71 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64 | -36.3 | 177.1 | -76.1 | 161.1 | 0 | 0 | 0 | 111.5 | I1182 L1213 A1217 A1316 R1317 S1323 C1325 | I1182-L1320 HydrophobicContact CD1-CD1 3.91Å; L1213-L1320 HydrophobicContact CD2-CD2 4.31Å; L1213-L1320 HydrophobicContact CD2-CG 4.12Å; A1217-L1320 HydrophobicContact CB-CD1 3.31Å; A1316-L1320 WeakPolarHBondContact O-CB 3.41Å; A1316-L1320 WeakPolarHBondContact O-CD1 3.41Å; A1316-L1320 WeakPolarHBondContact O-CG 3.22Å; A1316-L1320 PolarHBondContact O-N 2.93Å; R1317-L1320 PolarHBondContact O-N 3.03Å; L1320-S1323 PolarHBondContact O-OG 2.98Å; L1320-C1325 WeakPolarHBondContact O-CB 3.2Å |
| 1321 | L | 48.5 | Very low | 53.8 | Low | 71 Ų | 71 | 78.3 Ų | 78.3 | 37% | 0.372 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.2 | -59.1 | 167.4 | -70.3 | 168.3 | 0 | 0 | 0 | 110.4 | R1317 L1319 S1323 S1326 I1329 | R1317-L1321 WeakPolarHBondContact O-CB 3.47Å; R1317-L1321 WeakPolarHBondContact O-CD1 3.13Å; R1317-L1321 WeakPolarHBondContact O-CG 3.37Å; R1317-L1321 PolarHBondContact O-N 2.79Å; L1319-L1321 VanDerWaalsContact C-N 3.27Å; L1319-L1321 PolarHBondContact O-N 3.06Å; L1321-S1323 VanDerWaalsContact C-N 3.32Å; L1321-S1323 PolarHBondContact O-N 2.99Å; L1321-S1326 WeakPolarHBondContact O-CA 3.43Å; L1321-S1326 WeakPolarHBondContact O-CB 3.37Å; L1321-S1326 PolarHBondContact O-N 2.7Å; L1321-S1326 PolarHBondContact O-OG 3.4Å; L1321-I1329 HydrophobicContact CD2-CD1 3.55Å |
| 1322 | L | 42 | Very low | 52.3 | Low | 127 Ų | 127 | 74 Ų | 74 | 67% | 0.665 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66 | -25.4 | -175.5 | -70.6 | 173.1 | 0 | 0 | 0 | 114.9 | T1318 L1319 G1324 | T1318-L1322 HydrophobicContact CG2-CD1 3.75Å; T1318-L1322 HydrophobicContact CG2-CG 4.32Å; T1318-L1322 VanDerWaalsContact O-CB 3.31Å; T1318-L1322 WeakPolarHBondContact O-CB 3.26Å; T1318-L1322 WeakPolarHBondContact O-CG 3.34Å; T1318-L1322 PolarHBondContact O-N 2.83Å; L1319-L1322 CarbonylContact O-C 3.55Å; L1319-L1322 PolarHBondContact O-N 3.37Å; L1322-G1324 PolarHBondContact O-N 3.37Å |
| 1323 | S | 42.7 | Very low | 51 | Low | 82 Ų | 82 | 73.5 Ų | 73.5 | 57% | 0.573 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 37.3 | -175.3 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | L1319 L1320 L1321 C1325 | L1319-S1323 WeakPolarHBondContact O-CB 3.29Å; L1319-S1323 PolarHBondContact O-N 2.87Å; L1319-S1323 PolarHBondContact O-OG 2.89Å; L1319-S1323 VanDerWaalsContact O-OG 3.09Å; L1320-S1323 PolarHBondContact O-OG 2.98Å; L1321-S1323 VanDerWaalsContact C-N 3.32Å; L1321-S1323 PolarHBondContact O-N 2.99Å; S1323-C1325 PolarHBondContact O-N 3.18Å |
| 1324 | G | 39.5 | Very low | 50.4 | Low | 36 Ų | 36 | 76 Ų | 76 | 37% | 0.371 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -29 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1322 S1326 K1327 | L1322-G1324 PolarHBondContact O-N 3.37Å; G1324-S1326 VanDerWaalsContact C-N 3.29Å; G1324-S1326 PolarHBondContact O-N 3.19Å; G1324-K1327 PolarHBondContact O-N 2.98Å |
| 1325 | C | 38.1 | Very low | 50.7 | Low | 50 Ų | 50 | 74.8 Ų | 74.8 | 34% | 0.338 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -66.9 | -27 | -175.7 | -51.3 | 0 | 0 | 0 | 0 | 112.7 | L1320 S1323 K1327 W1328 I1329 | L1320-C1325 WeakPolarHBondContact O-CB 3.2Å; S1323-C1325 PolarHBondContact O-N 3.18Å; C1325-K1327 VanDerWaalsContact C-N 3.29Å; C1325-K1327 PolarHBondContact O-N 3.05Å; C1325-W1328 CarbonylContact O-C 3.53Å; C1325-W1328 PolarHBondContact O-N 3.26Å; C1325-W1328 VanDerWaalsContact O-N 3.11Å; C1325-I1329 WeakPolarHBondContact O-CG1 3.3Å; C1325-I1329 PolarHBondContact O-N 2.83Å |
| 1326 | S | 36.2 | Very low | 51.5 | Low | 61 Ų | 61 | 72.8 Ų | 72.8 | 43% | 0.427 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -77.6 | -7.2 | 171.5 | 83.7 | 0 | 0 | 0 | 0 | 114.8 | L1321 G1324 W1328 | L1321-S1326 WeakPolarHBondContact O-CA 3.43Å; L1321-S1326 WeakPolarHBondContact O-CB 3.37Å; L1321-S1326 PolarHBondContact O-N 2.7Å; L1321-S1326 PolarHBondContact O-OG 3.4Å; G1324-S1326 VanDerWaalsContact C-N 3.29Å; G1324-S1326 PolarHBondContact O-N 3.19Å; S1326-W1328 VanDerWaalsContact C-N 3.29Å |
| 1327 | K | 32.9 | Very low | 52.2 | Low | 137 Ų | 137 | 72.8 Ų | 72.8 | 60% | 0.596 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -88.8 | 1.2 | 164.4 | -127.1 | -153 | 177.6 | -146.9 | 0 | 112.3 | G1324 C1325 E1547 | G1324-K1327 PolarHBondContact O-N 2.98Å; C1325-K1327 VanDerWaalsContact C-N 3.29Å; C1325-K1327 PolarHBondContact O-N 3.05Å; K1327-E1547 IonicContact NZ-OE1 3.21Å; K1327-E1547 PolarHBondContact NZ-OE1 2.97Å; K1327-E1547 IonicContact NZ-OE2 2.85Å |
| 1328 | W | 34.7 | Very low | 53 | Low | 134 Ų | 134 | 69.7 Ų | 69.7 | 51% | 0.508 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | -0.9 | 176.9 | -64.7 | 110.6 | 0 | 0 | 0 | 114.3 | K1265 C1325 S1326 D1330 | K1265-W1328 PolarHBondContact NZ-O 3.41Å; C1325-W1328 CarbonylContact O-C 3.53Å; C1325-W1328 PolarHBondContact O-N 3.26Å; C1325-W1328 VanDerWaalsContact O-N 3.11Å; S1326-W1328 VanDerWaalsContact C-N 3.29Å; W1328-D1330 PolarHBondContact O-N 2.84Å; W1328-D1330 VanDerWaalsContact O-N 3.11Å; W1328-D1330 VanDerWaalsContact O-OD2 3.07Å |
| 1329 | I | 34.5 | Very low | 54.2 | Low | 74 Ų | 74 | 66 Ų | 66 | 38% | 0.379 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -77.6 | 75.4 | 150.7 | -63.9 | 162.9 | 0 | 0 | 0 | 104.8 | L1321 C1325 R1331 | L1321-I1329 HydrophobicContact CD2-CD1 3.55Å; C1325-I1329 WeakPolarHBondContact O-CG1 3.3Å; C1325-I1329 PolarHBondContact O-N 2.83Å; I1329-R1331 PolarHBondContact O-N 3.49Å; I1329-R1331 VanDerWaalsContact O-N 3.1Å |
| 1330 | D | 38.3 | Very low | 55.2 | Low | 42 Ų | 42 | 62 Ų | 62 | 23% | 0.225 | 33% | 0.331 | C | S | . | . | trans | -61.7 | 115.2 | -176.6 | -61.3 | -70.6 | 0 | 0 | 0 | 109.3 | K1265 W1328 G1332 | K1265-D1330 IonicContact NZ-OD2 3.77Å; K1265-D1330 PolarHBondContact NZ-OD2 3.27Å; W1328-D1330 PolarHBondContact O-N 2.84Å; W1328-D1330 VanDerWaalsContact O-N 3.11Å; W1328-D1330 VanDerWaalsContact O-OD2 3.07Å; D1330-G1332 PolarHBondContact O-N 3.3Å | ||
| 1331 | R | 37.5 | Very low | 55.6 | Low | 236 Ų | 236 | 64 Ų | 64 | 89% | 0.891 | 35% | 0.348 | S | S | * | . | trans | -67.1 | 89.3 | 150.6 | -69.4 | 179 | 175.6 | -170.7 | -0.6 | 105.2 | I1329 E1333 | I1329-R1331 PolarHBondContact O-N 3.49Å; I1329-R1331 VanDerWaalsContact O-N 3.1Å; R1331-E1333 PolarHBondContact O-N 2.85Å | ||
| 1332 | G | 44.8 | Very low | 56.5 | Low | 41 Ų | 41 | 62.1 Ų | 62.1 | 42% | 0.423 | 34% | 0.342 | S | S | . | . | trans | -34.1 | 101.9 | -162.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1330 S1334 G1360 | D1330-G1332 PolarHBondContact O-N 3.3Å; G1332-S1334 PolarHBondContact O-N 3.14Å; G1332-G1360 CarbonylContact C-O 3.57Å; G1332-G1360 VanDerWaalsContact CA-O 3.25Å; G1332-G1360 WeakPolarHBondContact CA-O 3.43Å | ||
| 1333 | E | 53.1 | Low | 58.3 | Low | 83 Ų | 83 | 56 Ų | 56 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 113.3 | -171.8 | -65.2 | -168.4 | 136.1 | 0 | 0 | 106.7 | R1331 G1360 R1361 F1362 L1548 | R1331-E1333 PolarHBondContact O-N 2.85Å; E1333-G1360 PolarHBondContact N-O 3.31Å; E1333-R1361 HydrophobicContact CB-CG 4.43Å; E1333-R1361 CarbonylContact O-C 3.5Å; E1333-R1361 WeakPolarHBondContact O-CA 3.46Å; E1333-R1361 IonicContact OE2-NE 2.81Å; E1333-R1361 IonicContact OE2-NH2 2.8Å; E1333-F1362 PolarHBondContact O-N 3.09Å; E1333-L1548 HydrophobicContact CB-CD2 3.6Å; E1333-L1548 WeakPolarHBondContact O-CD2 3.3Å |
| 1334 | S | 71.3 | Confident | 60 | Low | 57 Ų | 57 | 54.2 Ų | 54.2 | 40% | 0.399 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 132.9 | -175 | -168.8 | 0 | 0 | 0 | 0 | 110.3 | G1332 F1362 N1364 | G1332-S1334 PolarHBondContact O-N 3.14Å; S1334-F1362 VanDerWaalsContact CA-O 3.26Å; S1334-F1362 WeakPolarHBondContact CA-O 3.4Å; S1334-F1362 PolarHBondContact OG-O 2.83Å; S1334-N1364 PolarHBondContact OG-ND2 2.8Å |
| 1335 | I | 81.6 | Confident | 61.7 | Low | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 157.9 | 171.7 | 60.1 | 168.1 | 0 | 0 | 0 | 110.1 | F1362 I1363 N1364 E1383 I1384 L1548 V1549 | I1335-F1362 PolarHBondContact N-O 3.35Å; I1335-I1363 HydrophobicContact CD1-CD1 3.8Å; I1335-I1363 HydrophobicContact CG1-CD1 3.61Å; I1335-N1364 PolarHBondContact O-N 3.2Å; I1335-E1383 HydrophobicContact CB-CB 4.14Å; I1335-E1383 HydrophobicContact CB-CG 4.15Å; I1335-E1383 HydrophobicContact CG2-CB 4.25Å; I1335-E1383 HydrophobicContact CG2-CG 3.92Å; I1335-I1384 HydrophobicContact CD1-CD1 3.82Å; I1335-L1548 HydrophobicContact CD1-CG 4.11Å; I1335-L1548 HydrophobicContact CG1-CD2 4.21Å; I1335-L1548 HydrophobicContact CG1-CG 4.19Å; I1335-L1548 HydrophobicContact CG2-CB 4.42Å; I1335-L1548 HydrophobicContact CG2-CD2 3.9Å; I1335-L1548 HydrophobicContact CG2-CG 4.12Å; I1335-V1549 HydrophobicContact CB-CG2 4.44Å; I1335-V1549 HydrophobicContact CD1-CB 4.32Å; I1335-V1549 HydrophobicContact CD1-CG2 3.76Å; I1335-V1549 HydrophobicContact CG2-CG2 3.96Å |
| 1336 | T | 88.7 | Confident | 63.9 | Low | 28 Ų | 28 | 52.8 Ų | 52.8 | 17% | 0.172 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.5 | -177.8 | -47.1 | 0 | 0 | 0 | 0 | 110.3 | V1338 N1364 V1382 E1383 I1384 | T1336-V1338 HydrophobicContact CG2-CG2 4.09Å; T1336-N1364 CarbonylContact C-O 3.53Å; T1336-N1364 WeakPolarHBondContact CA-O 3.27Å; T1336-N1364 HydrophobicContact CG2-CB 4.19Å; T1336-V1382 HydrophobicContact CG2-CB 4.43Å; T1336-V1382 HydrophobicContact CG2-CG1 3.85Å; T1336-E1383 PolarHBondContact N-OE2 2.87Å; T1336-E1383 PolarHBondContact O-N 3.38Å; T1336-I1384 PolarHBondContact O-N 2.94Å; T1336-I1384 VanDerWaalsContact O-N 3.09Å |
| 1337 | A | 88.7 | Confident | 66.4 | Low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109 | V1347 N1364 V1365 Q1366 I1384 | A1337-V1347 HydrophobicContact CB-CG1 4.24Å; A1337-N1364 PolarHBondContact N-O 2.98Å; A1337-V1365 CarbonylContact O-C 3.58Å; A1337-V1365 WeakPolarHBondContact O-CA 3.42Å; A1337-Q1366 PolarHBondContact O-N 2.87Å; A1337-I1384 WeakPolarHBondContact CA-O 3.39Å; A1337-I1384 HydrophobicContact CB-CB 3.92Å; A1337-I1384 HydrophobicContact CB-CG2 3.96Å |
| 1338 | V | 85.2 | Confident | 69 | Low | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.8 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 109.2 | T1336 Q1366 T1372 G1373 V1382 I1384 G1385 N1386 | T1336-V1338 HydrophobicContact CG2-CG2 4.09Å; V1338-Q1366 VanDerWaalsContact CA-O 3.32Å; V1338-Q1366 WeakPolarHBondContact CA-O 3.26Å; V1338-Q1366 HydrophobicContact CG2-CB 3.95Å; V1338-T1372 HydrophobicContact CG1-CG2 4.06Å; V1338-G1373 WeakPolarHBondContact O-CA 3.44Å; V1338-V1382 HydrophobicContact CB-CG2 4.38Å; V1338-V1382 HydrophobicContact CG2-CG1 3.79Å; V1338-V1382 HydrophobicContact CG2-CG2 4.5Å; V1338-I1384 PolarHBondContact N-O 3.16Å; V1338-I1384 VanDerWaalsContact N-O 3.12Å; V1338-G1385 CarbonylContact O-C 3.54Å; V1338-G1385 VanDerWaalsContact O-CA 3.27Å; V1338-G1385 WeakPolarHBondContact O-CA 3.41Å; V1338-N1386 PolarHBondContact O-N 3.05Å; V1338-N1386 PolarHBondContact O-OD1 2.88Å |
| 1339 | G | 85.5 | Confident | 71.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.2 | -135.7 | 170 | 0 | 0 | 0 | 0 | 0 | 116.6 | S1341 Q1366 G1368 G1369 N1386 | G1339-S1341 PolarHBondContact O-N 2.82Å; G1339-Q1366 PolarHBondContact N-O 3.47Å; G1339-Q1366 VanDerWaalsContact N-O 3.14Å; G1339-G1368 PolarHBondContact O-N 3.23Å; G1339-G1369 PolarHBondContact O-N 3.19Å; G1339-N1386 CarbonylContact C-O 3.58Å; G1339-N1386 VanDerWaalsContact CA-O 3.27Å; G1339-N1386 WeakPolarHBondContact CA-O 3.34Å; G1339-N1386 WeakPolarHBondContact CA-OD1 3.29Å; G1339-N1386 PolarHBondContact N-OD1 2.52Å; G1339-N1386 VanDerWaalsContact N-OD1 3.09Å |
| 1340 | S | 77.7 | Confident | 73.6 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | trans | -50.6 | 119.7 | -176.3 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | A1342 L1343 Q1344 S1370 N1386 | S1340-A1342 PolarHBondContact O-N 2.88Å; S1340-A1342 PolarHBondContact OG-N 2.84Å; S1340-L1343 PolarHBondContact O-N 3.26Å; S1340-L1343 PolarHBondContact OG-N 2.93Å; S1340-Q1344 PolarHBondContact O-N 2.93Å; S1340-S1370 WeakPolarHBondContact CB-OG 3.01Å; S1340-N1386 PolarHBondContact N-ND2 3.32Å; S1340-N1386 VanDerWaalsContact N-ND2 3.2Å; S1340-N1386 PolarHBondContact N-O 2.91Å; S1340-N1386 PolarHBondContact O-ND2 3.27Å | ||
| 1341 | S | 66.9 | Low | 75.9 | Confident | 72 Ų | 72 | 37.7 Ų | 37.7 | 50% | 0.503 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -12.8 | 174.9 | -43.2 | 0 | 0 | 0 | 0 | 113 | G1339 | G1339-S1341 PolarHBondContact O-N 2.82Š|
| 1342 | A | 67.4 | Low | 77.8 | Confident | 31 Ų | 31 | 33.4 Ų | 33.4 | 26% | 0.256 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -39.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1340 Q1344 P1345 Y1571 | S1340-A1342 PolarHBondContact O-N 2.88Å; S1340-A1342 PolarHBondContact OG-N 2.84Å; A1342-Q1344 VanDerWaalsContact C-N 3.33Å; A1342-P1345 WeakPolarHBondContact O-CD 3.36Å; A1342-Y1571 PolarHBondContact O-OH 3.31Å |
| 1343 | L | 79.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -24.8 | 173.6 | -124.6 | 164.2 | 0 | 0 | 0 | 112 | S1340 L1346 V1347 N1386 S1387 V1407 E1537 H1538 | S1340-L1343 PolarHBondContact O-N 3.26Å; S1340-L1343 PolarHBondContact OG-N 2.93Å; L1343-L1346 HydrophobicContact CD2-CB 4.42Å; L1343-L1346 HydrophobicContact CD2-CD2 4.01Å; L1343-L1346 HydrophobicContact CD2-CG 4.45Å; L1343-L1346 WeakPolarHBondContact O-CB 3.4Å; L1343-L1346 PolarHBondContact O-N 3.42Å; L1343-V1347 HydrophobicContact CB-CG2 4.48Å; L1343-V1347 HydrophobicContact CD2-CG2 3.62Å; L1343-V1347 PolarHBondContact O-N 2.95Å; L1343-N1386 HydrophobicContact CD1-CB 4.29Å; L1343-S1387 WeakPolarHBondContact CD1-O 3.35Å; L1343-V1407 HydrophobicContact CD2-CG2 4.36Å; L1343-E1537 HydrophobicContact CD1-CB 3.89Å; L1343-E1537 WeakPolarHBondContact CD1-OE2 3.25Å; L1343-E1537 HydrophobicContact CD2-CB 4.32Å; L1343-E1537 HydrophobicContact CG-CB 4Å; L1343-E1537 HydrophobicContact CG-CG 4.34Å; L1343-E1537 WeakPolarHBondContact CG-OE2 3.26Å; L1343-H1538 WeakPolarHBondContact CD1-O 3.45Å |
| 1344 | Q | 77.6 | Confident | 80.8 | Confident | 43 Ų | 43 | 29.6 Ų | 29.6 | 20% | 0.201 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -49.1 | -45.6 | -174.1 | 178.8 | 176 | 0.3 | 0 | 0 | 114 | S1340 A1342 L1346 V1347 E1348 V1365 | S1340-Q1344 PolarHBondContact O-N 2.93Å; A1342-Q1344 VanDerWaalsContact C-N 3.33Å; Q1344-L1346 VanDerWaalsContact C-N 3.33Å; Q1344-L1346 PolarHBondContact O-N 3.49Å; Q1344-V1347 PolarHBondContact O-N 2.89Å; Q1344-E1348 VanDerWaalsContact CG-CD 3.46Å; Q1344-E1348 HydrophobicContact CG-CG 4.03Å; Q1344-E1348 WeakPolarHBondContact CG-OE1 3.31Å; Q1344-E1348 PolarHBondContact NE2-OE1 2.83Å; Q1344-E1348 VanDerWaalsContact O-CB 3.28Å; Q1344-E1348 WeakPolarHBondContact O-CB 3.46Å; Q1344-E1348 WeakPolarHBondContact O-CG 3.38Å; Q1344-E1348 PolarHBondContact O-N 2.61Å; Q1344-V1365 HydrophobicContact CG-CG1 4.24Å |
| 1345 | P | 76.2 | Confident | 81.2 | Confident | 56 Ų | 56 | 29.2 Ų | 29.2 | 36% | 0.364 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.7 | -33.6 | 177 | -23.5 | 35.7 | 0 | 0 | 0 | 114.2 | A1342 T1349 | A1342-P1345 WeakPolarHBondContact O-CD 3.36Å; P1345-T1349 VanDerWaalsContact O-CB 3.3Å; P1345-T1349 WeakPolarHBondContact O-CB 3.09Å; P1345-T1349 PolarHBondContact O-N 2.86Å; P1345-T1349 PolarHBondContact O-OG1 3.33Å |
| 1346 | L | 84.6 | Confident | 80.4 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.2 | -47.4 | 173.6 | 171.9 | 61.9 | 0 | 0 | 0 | 110.4 | L1343 Q1344 E1348 T1349 V1350 A1408 V1565 V1566 L1569 Y1571 | L1343-L1346 HydrophobicContact CD2-CB 4.42Å; L1343-L1346 HydrophobicContact CD2-CD2 4.01Å; L1343-L1346 HydrophobicContact CD2-CG 4.45Å; L1343-L1346 WeakPolarHBondContact O-CB 3.4Å; L1343-L1346 PolarHBondContact O-N 3.42Å; Q1344-L1346 VanDerWaalsContact C-N 3.33Å; Q1344-L1346 PolarHBondContact O-N 3.49Å; L1346-E1348 VanDerWaalsContact C-N 3.34Å; L1346-E1348 PolarHBondContact O-N 2.93Å; L1346-T1349 PolarHBondContact O-N 3.34Å; L1346-V1350 HydrophobicContact CD1-CG2 3.84Å; L1346-V1350 VanDerWaalsContact O-CB 3.31Å; L1346-V1350 WeakPolarHBondContact O-CB 3.36Å; L1346-V1350 WeakPolarHBondContact O-CG2 3.28Å; L1346-V1350 PolarHBondContact O-N 3.28Å; L1346-A1408 HydrophobicContact CD2-CB 4.04Å; L1346-V1565 HydrophobicContact CD1-CG1 4.17Å; L1346-V1566 HydrophobicContact CD1-CG2 3.81Å; L1346-V1566 HydrophobicContact CD2-CG2 4.36Å; L1346-L1569 HydrophobicContact CB-CD1 3.92Å; L1346-L1569 HydrophobicContact CD1-CD1 3.82Å; L1346-L1569 HydrophobicContact CG-CD1 4.49Å; L1346-Y1571 HydrophobicContact CB-CE2 4.18Å; L1346-Y1571 HydrophobicContact CD2-CD2 4.18Å; L1346-Y1571 HydrophobicContact CD2-CE2 4.22Å |
| 1347 | V | 88.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.7 | -39.4 | 178.3 | -173.7 | 0 | 0 | 0 | 0 | 111.2 | A1337 L1343 Q1344 A1351 V1365 N1386 M1539 F1552 M1556 | A1337-V1347 HydrophobicContact CB-CG1 4.24Å; L1343-V1347 HydrophobicContact CB-CG2 4.48Å; L1343-V1347 HydrophobicContact CD2-CG2 3.62Å; L1343-V1347 PolarHBondContact O-N 2.95Å; Q1344-V1347 PolarHBondContact O-N 2.89Å; V1347-A1351 WeakPolarHBondContact O-CA 3.3Å; V1347-A1351 WeakPolarHBondContact O-CB 3.37Å; V1347-A1351 PolarHBondContact O-N 3.23Å; V1347-V1365 HydrophobicContact CB-CG1 3.98Å; V1347-V1365 HydrophobicContact CG1-CB 4.46Å; V1347-V1365 HydrophobicContact CG1-CG1 3.73Å; V1347-V1365 HydrophobicContact CG1-CG2 3.82Å; V1347-N1386 HydrophobicContact CG2-CB 4.23Å; V1347-M1539 HydrophobicContact CG1-SD 4.23Å; V1347-M1539 HydrophobicContact CG2-SD 3.92Å; V1347-F1552 HydrophobicContact CG1-CE1 4.2Å; V1347-F1552 HydrophobicContact CG1-CZ 4.24Å; V1347-M1556 HydrophobicContact CB-CE 4.33Å; V1347-M1556 HydrophobicContact CG1-CE 4.23Å; V1347-M1556 HydrophobicContact CG2-CE 4.19Å |
| 1348 | E | 85.7 | Confident | 78.2 | Confident | 72 Ų | 72 | 32.9 Ų | 32.9 | 34% | 0.336 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -67.1 | -49.9 | 175.9 | -77.7 | 174.9 | 165 | 0 | 0 | 112.1 | Q1344 L1346 V1350 A1351 E1352 V1365 | Q1344-E1348 VanDerWaalsContact CG-CD 3.46Å; Q1344-E1348 HydrophobicContact CG-CG 4.03Å; Q1344-E1348 WeakPolarHBondContact CG-OE1 3.31Å; Q1344-E1348 PolarHBondContact NE2-OE1 2.83Å; Q1344-E1348 VanDerWaalsContact O-CB 3.28Å; Q1344-E1348 WeakPolarHBondContact O-CB 3.46Å; Q1344-E1348 WeakPolarHBondContact O-CG 3.38Å; Q1344-E1348 PolarHBondContact O-N 2.61Å; L1346-E1348 VanDerWaalsContact C-N 3.34Å; L1346-E1348 PolarHBondContact O-N 2.93Å; E1348-V1350 VanDerWaalsContact C-N 3.3Å; E1348-V1350 PolarHBondContact O-N 3.35Å; E1348-A1351 CarbonylContact O-C 3.51Å; E1348-A1351 WeakPolarHBondContact O-CB 3.49Å; E1348-A1351 PolarHBondContact O-N 2.88Å; E1348-A1351 VanDerWaalsContact O-N 3.09Å; E1348-E1352 WeakPolarHBondContact O-CG 3.33Å; E1348-E1352 PolarHBondContact O-N 3.19Å; E1348-V1365 HydrophobicContact CG-CB 3.68Å; E1348-V1365 HydrophobicContact CG-CG1 3.8Å; E1348-V1365 HydrophobicContact CG-CG2 4.08Å |
| 1349 | T | 79.3 | Confident | 76.4 | Confident | 58 Ų | 58 | 35.3 Ų | 35.3 | 36% | 0.356 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.5 | -43.6 | 178.6 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | P1345 L1346 E1353 V1565 | P1345-T1349 VanDerWaalsContact O-CB 3.3Å; P1345-T1349 WeakPolarHBondContact O-CB 3.09Å; P1345-T1349 PolarHBondContact O-N 2.86Å; P1345-T1349 PolarHBondContact O-OG1 3.33Å; L1346-T1349 PolarHBondContact O-N 3.34Å; T1349-E1353 WeakPolarHBondContact O-CB 3.34Å; T1349-E1353 PolarHBondContact O-N 3.22Å; T1349-V1565 HydrophobicContact CG2-CG1 3.68Å |
| 1350 | V | 87.4 | Confident | 74.8 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.7 | -32.9 | 177.2 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | L1346 E1348 Y1354 F1552 Y1555 M1556 V1561 V1565 | L1346-V1350 HydrophobicContact CD1-CG2 3.84Å; L1346-V1350 VanDerWaalsContact O-CB 3.31Å; L1346-V1350 WeakPolarHBondContact O-CB 3.36Å; L1346-V1350 WeakPolarHBondContact O-CG2 3.28Å; L1346-V1350 PolarHBondContact O-N 3.28Å; E1348-V1350 VanDerWaalsContact C-N 3.3Å; E1348-V1350 PolarHBondContact O-N 3.35Å; V1350-Y1354 WeakPolarHBondContact O-CB 3.47Å; V1350-Y1354 PolarHBondContact O-N 3.2Å; V1350-F1552 HydrophobicContact CG1-CE2 3.88Å; V1350-F1552 HydrophobicContact CG1-CZ 4.32Å; V1350-Y1555 HydrophobicContact CG1-CD1 3.65Å; V1350-Y1555 HydrophobicContact CG1-CE1 3.77Å; V1350-M1556 HydrophobicContact CB-CE 3.89Å; V1350-M1556 HydrophobicContact CG1-CB 3.98Å; V1350-M1556 HydrophobicContact CG1-CE 3.73Å; V1350-M1556 HydrophobicContact CG1-CG 4.11Å; V1350-M1556 HydrophobicContact CG2-CE 4.42Å; V1350-V1561 HydrophobicContact CG1-CG1 4.24Å; V1350-V1561 HydrophobicContact CG1-CG2 4.18Å; V1350-V1561 HydrophobicContact CG2-CG1 3.49Å; V1350-V1561 VanDerWaalsContact CG2-CG1 3.49Å; V1350-V1561 HydrophobicContact CG2-CG2 4.34Å; V1350-V1565 HydrophobicContact CG2-CB 4.48Å; V1350-V1565 HydrophobicContact CG2-CG1 3.87Å |
| 1351 | A | 85.9 | Confident | 74.2 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.3 | -42.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1347 E1348 Q1355 I1363 V1365 F1552 | V1347-A1351 WeakPolarHBondContact O-CA 3.3Å; V1347-A1351 WeakPolarHBondContact O-CB 3.37Å; V1347-A1351 PolarHBondContact O-N 3.23Å; E1348-A1351 CarbonylContact O-C 3.51Å; E1348-A1351 WeakPolarHBondContact O-CB 3.49Å; E1348-A1351 PolarHBondContact O-N 2.88Å; E1348-A1351 VanDerWaalsContact O-N 3.09Å; A1351-Q1355 VanDerWaalsContact O-CB 3.27Å; A1351-Q1355 WeakPolarHBondContact O-CB 3.43Å; A1351-Q1355 WeakPolarHBondContact O-CG 3.31Å; A1351-Q1355 PolarHBondContact O-N 3.45Å; A1351-Q1355 PolarHBondContact O-NE2 3.35Å; A1351-I1363 HydrophobicContact CB-CB 3.84Å; A1351-I1363 HydrophobicContact CB-CG2 3.69Å; A1351-V1365 HydrophobicContact CB-CG2 3.66Å; A1351-F1552 HydrophobicContact CB-CE2 4.15Å; A1351-F1552 HydrophobicContact CB-CZ 3.91Å |
| 1352 | E | 77.9 | Confident | 74.3 | Confident | 146 Ų | 146 | 39 Ų | 39 | 68% | 0.682 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -64.7 | -45.4 | 176.2 | -71.9 | -170.8 | 160.1 | 0 | 0 | 110.6 | E1348 Q1355 S1356 | E1348-E1352 WeakPolarHBondContact O-CG 3.33Å; E1348-E1352 PolarHBondContact O-N 3.19Å; E1352-Q1355 PolarHBondContact O-N 3.12Å; E1352-S1356 PolarHBondContact O-N 2.87Å |
| 1353 | E | 78.6 | Confident | 75.1 | Confident | 41 Ų | 41 | 37.9 Ų | 37.9 | 19% | 0.192 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.5 | -37.1 | 177.1 | -155.4 | -165.8 | -176.5 | 0 | 0 | 112.4 | T1349 Q1355 S1356 K1357 Y1555 | T1349-E1353 WeakPolarHBondContact O-CB 3.34Å; T1349-E1353 PolarHBondContact O-N 3.22Å; E1353-Q1355 VanDerWaalsContact C-N 3.34Å; E1353-S1356 PolarHBondContact O-N 3.16Å; E1353-K1357 HydrophobicContact CG-CD 4.33Å; E1353-K1357 WeakPolarHBondContact O-CB 3.46Å; E1353-K1357 VanDerWaalsContact O-CG 3.27Å; E1353-K1357 WeakPolarHBondContact O-CG 3.39Å; E1353-K1357 PolarHBondContact O-N 3.12Å; E1353-K1357 VanDerWaalsContact OE1-CE 3.31Å; E1353-K1357 WeakPolarHBondContact OE1-CE 3.22Å; E1353-K1357 IonicContact OE1-NZ 3.74Å; E1353-K1357 PolarHBondContact OE1-NZ 3.15Å; E1353-K1357 IonicContact OE2-NZ 3.93Å; E1353-Y1555 WeakPolarHBondContact CG-OH 3.39Å; E1353-Y1555 PolarHBondContact OE2-OH 3.17Å |
| 1354 | Y | 83.3 | Confident | 75.3 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 171.2 | -179.7 | -91.1 | 0 | 0 | 0 | 111.1 | V1350 K1357 N1358 R1361 I1363 L1548 D1551 F1552 Y1555 | V1350-Y1354 WeakPolarHBondContact O-CB 3.47Å; V1350-Y1354 PolarHBondContact O-N 3.2Å; Y1354-K1357 CarbonylContact O-C 3.38Å; Y1354-K1357 PolarHBondContact O-N 3.45Å; Y1354-N1358 HydrophobicContact CD1-CB 4.36Å; Y1354-N1358 WeakPolarHBondContact CD2-ND2 3.45Å; Y1354-N1358 HydrophobicContact CE1-CB 3.94Å; Y1354-N1358 VanDerWaalsContact CE2-ND2 3.3Å; Y1354-N1358 WeakPolarHBondContact CE2-ND2 3.32Å; Y1354-N1358 VanDerWaalsContact O-CB 3.28Å; Y1354-N1358 WeakPolarHBondContact O-CB 3.45Å; Y1354-N1358 PolarHBondContact O-N 2.93Å; Y1354-N1358 PolarHBondContact O-ND2 2.77Å; Y1354-R1361 HydrophobicContact CE1-CB 4.2Å; Y1354-R1361 PolarHBondContact OH-NH1 2.63Å; Y1354-I1363 HydrophobicContact CD1-CD1 3.97Å; Y1354-I1363 HydrophobicContact CD1-CG1 3.72Å; Y1354-I1363 HydrophobicContact CE1-CD1 3.99Å; Y1354-I1363 HydrophobicContact CE1-CG1 4.24Å; Y1354-L1548 HydrophobicContact CE1-CD1 3.99Å; Y1354-L1548 WeakPolarHBondContact OH-CD1 3.27Å; Y1354-D1551 PolarHBondContact OH-OD2 2.94Å; Y1354-F1552 HydrophobicContact CD1-CD2 4.07Å; Y1354-F1552 AromaticContact CD2-CD2 4Å; Y1354-F1552 HydrophobicContact CD2-CD2 4Å; Y1354-F1552 AromaticContact CG-CD2 3.7Å; Y1354-F1552 HydrophobicContact CG-CD2 3.7Å; Y1354-F1552 HydrophobicContact CG-CE2 4.3Å; Y1354-Y1555 AromaticContact CD2-CD1 3.78Å; Y1354-Y1555 HydrophobicContact CD2-CD1 3.78Å; Y1354-Y1555 HydrophobicContact CD2-CD2 4.42Å; Y1354-Y1555 AromaticContact CD2-CG 3.71Å; Y1354-Y1555 HydrophobicContact CD2-CG 3.71Å; Y1354-Y1555 HydrophobicContact CG-CD1 4.26Å |
| 1355 | Q | 78.6 | Confident | 75.6 | Confident | 50 Ų | 50 | 40.3 Ų | 40.3 | 23% | 0.234 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.5 | -36.3 | 179.7 | -72.7 | 170.9 | 107.7 | 0 | 0 | 112.2 | A1351 E1352 E1353 K1357 N1358 I1363 | A1351-Q1355 VanDerWaalsContact O-CB 3.27Å; A1351-Q1355 WeakPolarHBondContact O-CB 3.43Å; A1351-Q1355 WeakPolarHBondContact O-CG 3.31Å; A1351-Q1355 PolarHBondContact O-N 3.45Å; A1351-Q1355 PolarHBondContact O-NE2 3.35Å; E1352-Q1355 PolarHBondContact O-N 3.12Å; E1353-Q1355 VanDerWaalsContact C-N 3.34Å; Q1355-K1357 VanDerWaalsContact C-N 3.25Å; Q1355-K1357 PolarHBondContact O-N 2.89Å; Q1355-N1358 CarbonylContact O-C 3.59Å; Q1355-N1358 PolarHBondContact O-N 3.4Å; Q1355-I1363 VanDerWaalsContact CD-N 3.34Å; Q1355-I1363 HydrophobicContact CG-CB 4.39Å; Q1355-I1363 HydrophobicContact CG-CG1 4.03Å; Q1355-I1363 PolarHBondContact NE2-O 2.67Å |
| 1356 | S | 64.5 | Low | 75.6 | Confident | 17 Ų | 17 | 42.5 Ų | 42.5 | 12% | 0.119 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69 | -23 | 172.2 | 102.6 | 0 | 0 | 0 | 0 | 113 | E1155 E1352 E1353 | E1155-S1356 PolarHBondContact OE1-OG 3.27Å; E1352-S1356 PolarHBondContact O-N 2.87Å; E1353-S1356 PolarHBondContact O-N 3.16Å |
| 1357 | K | 65 | Low | 74.7 | Confident | 53 Ų | 53 | 44.2 Ų | 44.2 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -91 | -16.8 | 173 | -69.5 | 172.3 | -176.3 | 175.5 | 0 | 113.7 | E1353 Y1354 Q1355 Y1555 E1560 | E1353-K1357 HydrophobicContact CG-CD 4.33Å; E1353-K1357 WeakPolarHBondContact O-CB 3.46Å; E1353-K1357 VanDerWaalsContact O-CG 3.27Å; E1353-K1357 WeakPolarHBondContact O-CG 3.39Å; E1353-K1357 PolarHBondContact O-N 3.12Å; E1353-K1357 VanDerWaalsContact OE1-CE 3.31Å; E1353-K1357 WeakPolarHBondContact OE1-CE 3.22Å; E1353-K1357 IonicContact OE1-NZ 3.74Å; E1353-K1357 PolarHBondContact OE1-NZ 3.15Å; E1353-K1357 IonicContact OE2-NZ 3.93Å; Y1354-K1357 CarbonylContact O-C 3.38Å; Y1354-K1357 PolarHBondContact O-N 3.45Å; Q1355-K1357 VanDerWaalsContact C-N 3.25Å; Q1355-K1357 PolarHBondContact O-N 2.89Å; K1357-Y1555 HydrophobicContact CD-CE2 3.9Å; K1357-Y1555 WeakPolarHBondContact CD-OH 3.48Å; K1357-Y1555 WeakPolarHBondContact CE-OH 3.35Å; K1357-Y1555 PolarHBondContact NZ-OH 2.82Å; K1357-E1560 IonicContact NZ-OE1 3.2Å; K1357-E1560 PolarHBondContact NZ-OE1 3.08Å; K1357-E1560 VanDerWaalsContact NZ-OE1 3.07Å; K1357-E1560 IonicContact NZ-OE2 2.79Å; K1357-E1560 PolarHBondContact NZ-OE2 3.01Å |
| 1358 | N | 66.1 | Low | 73.4 | Confident | 42 Ų | 42 | 45.9 Ų | 45.9 | 23% | 0.225 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -136 | 61 | -174.7 | -60.2 | -86.4 | 0 | 0 | 0 | 113 | Y1354 Q1355 G1360 R1361 | Y1354-N1358 HydrophobicContact CD1-CB 4.36Å; Y1354-N1358 WeakPolarHBondContact CD2-ND2 3.45Å; Y1354-N1358 HydrophobicContact CE1-CB 3.94Å; Y1354-N1358 VanDerWaalsContact CE2-ND2 3.3Å; Y1354-N1358 WeakPolarHBondContact CE2-ND2 3.32Å; Y1354-N1358 VanDerWaalsContact O-CB 3.28Å; Y1354-N1358 WeakPolarHBondContact O-CB 3.45Å; Y1354-N1358 PolarHBondContact O-N 2.93Å; Y1354-N1358 PolarHBondContact O-ND2 2.77Å; Q1355-N1358 CarbonylContact O-C 3.59Å; Q1355-N1358 PolarHBondContact O-N 3.4Å; N1358-G1360 PolarHBondContact O-N 3.31Å; N1358-R1361 HydrophobicContact CB-CB 4.38Å; N1358-R1361 PolarHBondContact O-N 2.85Å; N1358-R1361 VanDerWaalsContact O-N 3.11Å |
| 1359 | P | 48.8 | Very low | 72.7 | Confident | 54 Ų | 54 | 43.8 Ų | 43.8 | 35% | 0.351 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 127.1 | -177.1 | 22.7 | -33.8 | 0 | 0 | 0 | 113 | ||
| 1360 | G | 50.6 | Low | 72.5 | Confident | 18 Ų | 18 | 41.5 Ų | 41.5 | 19% | 0.186 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 106.2 | -15 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1332 E1333 N1358 F1362 | G1332-G1360 CarbonylContact C-O 3.57Å; G1332-G1360 VanDerWaalsContact CA-O 3.25Å; G1332-G1360 WeakPolarHBondContact CA-O 3.43Å; E1333-G1360 PolarHBondContact N-O 3.31Å; N1358-G1360 PolarHBondContact O-N 3.31Å; G1360-F1362 WeakPolarHBondContact O-CE2 3.33Å |
| 1361 | R | 64.8 | Low | 71.8 | Confident | 34 Ų | 34 | 42.5 Ų | 42.5 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 134.8 | 168.9 | -70.3 | 168.9 | 157.8 | -163 | -7.3 | 109.2 | E1333 Y1354 N1358 L1548 D1551 | E1333-R1361 HydrophobicContact CB-CG 4.43Å; E1333-R1361 CarbonylContact O-C 3.5Å; E1333-R1361 WeakPolarHBondContact O-CA 3.46Å; E1333-R1361 IonicContact OE2-NE 2.81Å; E1333-R1361 IonicContact OE2-NH2 2.8Å; Y1354-R1361 HydrophobicContact CE1-CB 4.2Å; Y1354-R1361 PolarHBondContact OH-NH1 2.63Å; N1358-R1361 HydrophobicContact CB-CB 4.38Å; N1358-R1361 PolarHBondContact O-N 2.85Å; N1358-R1361 VanDerWaalsContact O-N 3.11Å; R1361-L1548 HydrophobicContact CB-CD1 3.93Å; R1361-L1548 HydrophobicContact CB-CD2 4.44Å; R1361-L1548 HydrophobicContact CG-CD1 3.93Å; R1361-L1548 HydrophobicContact CG-CD2 4.46Å; R1361-D1551 IonicContact NH1-OD2 3.85Å; R1361-D1551 PolarHBondContact NH1-OD2 2.85Å |
| 1362 | F | 70.6 | Confident | 71.3 | Confident | 101 Ų | 101 | 45 Ų | 45 | 44% | 0.443 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.9 | -171.7 | -64.1 | -81.9 | 0 | 0 | 0 | 111.7 | E1333 S1334 I1335 G1360 | E1333-F1362 PolarHBondContact O-N 3.09Å; S1334-F1362 VanDerWaalsContact CA-O 3.26Å; S1334-F1362 WeakPolarHBondContact CA-O 3.4Å; S1334-F1362 PolarHBondContact OG-O 2.83Å; I1335-F1362 PolarHBondContact N-O 3.35Å; G1360-F1362 WeakPolarHBondContact O-CE2 3.33Å |
| 1363 | I | 83.1 | Confident | 71.3 | Confident | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 100.1 | -177.9 | -47.4 | -61.8 | 0 | 0 | 0 | 107.7 | I1335 A1351 Y1354 Q1355 V1365 L1548 F1552 | I1335-I1363 HydrophobicContact CD1-CD1 3.8Å; I1335-I1363 HydrophobicContact CG1-CD1 3.61Å; A1351-I1363 HydrophobicContact CB-CB 3.84Å; A1351-I1363 HydrophobicContact CB-CG2 3.69Å; Y1354-I1363 HydrophobicContact CD1-CD1 3.97Å; Y1354-I1363 HydrophobicContact CD1-CG1 3.72Å; Y1354-I1363 HydrophobicContact CE1-CD1 3.99Å; Y1354-I1363 HydrophobicContact CE1-CG1 4.24Å; Q1355-I1363 VanDerWaalsContact CD-N 3.34Å; Q1355-I1363 HydrophobicContact CG-CB 4.39Å; Q1355-I1363 HydrophobicContact CG-CG1 4.03Å; Q1355-I1363 PolarHBondContact NE2-O 2.67Å; I1363-V1365 HydrophobicContact CG2-CG2 4.19Å; I1363-V1365 PolarHBondContact O-N 2.75Å; I1363-L1548 HydrophobicContact CD1-CD1 4.38Å; I1363-F1552 HydrophobicContact CD1-CB 4.21Å; I1363-F1552 HydrophobicContact CD1-CD1 4.4Å; I1363-F1552 HydrophobicContact CD1-CD2 4.23Å; I1363-F1552 HydrophobicContact CD1-CG 4.03Å; I1363-F1552 HydrophobicContact CG1-CD2 4.17Å; I1363-F1552 HydrophobicContact CG1-CE2 4.33Å; I1363-F1552 HydrophobicContact CG1-CG 4.41Å; I1363-F1552 HydrophobicContact CG2-CD1 4.08Å; I1363-F1552 HydrophobicContact CG2-CE1 3.67Å; I1363-F1552 HydrophobicContact CG2-CE2 4.23Å; I1363-F1552 HydrophobicContact CG2-CZ 3.77Å |
| 1364 | N | 83.3 | Confident | 71.7 | Confident | 69 Ų | 69 | 36.1 Ų | 36.1 | 37% | 0.369 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 107.2 | 177.9 | -52.4 | -54.8 | 0 | 0 | 0 | 109 | S1334 I1335 T1336 A1337 | S1334-N1364 PolarHBondContact OG-ND2 2.8Å; I1335-N1364 PolarHBondContact O-N 3.2Å; T1336-N1364 CarbonylContact C-O 3.53Å; T1336-N1364 WeakPolarHBondContact CA-O 3.27Å; T1336-N1364 HydrophobicContact CG2-CB 4.19Å; A1337-N1364 PolarHBondContact N-O 2.98Å |
| 1365 | V | 84.8 | Confident | 71.7 | Confident | 25 Ų | 25 | 38.5 Ų | 38.5 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 140.3 | 175.2 | -165.6 | 0 | 0 | 0 | 0 | 110 | A1337 Q1344 V1347 E1348 A1351 I1363 | A1337-V1365 CarbonylContact O-C 3.58Å; A1337-V1365 WeakPolarHBondContact O-CA 3.42Å; Q1344-V1365 HydrophobicContact CG-CG1 4.24Å; V1347-V1365 HydrophobicContact CB-CG1 3.98Å; V1347-V1365 HydrophobicContact CG1-CB 4.46Å; V1347-V1365 HydrophobicContact CG1-CG1 3.73Å; V1347-V1365 HydrophobicContact CG1-CG2 3.82Å; E1348-V1365 HydrophobicContact CG-CB 3.68Å; E1348-V1365 HydrophobicContact CG-CG1 3.8Å; E1348-V1365 HydrophobicContact CG-CG2 4.08Å; A1351-V1365 HydrophobicContact CB-CG2 3.66Å; I1363-V1365 HydrophobicContact CG2-CG2 4.19Å; I1363-V1365 PolarHBondContact O-N 2.75Å |
| 1366 | Q | 75.7 | Confident | 72.1 | Confident | 101 Ų | 101 | 39 Ų | 39 | 47% | 0.472 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 125.6 | -178.4 | -66.2 | -179.8 | 27.5 | 0 | 0 | 111.7 | A1337 V1338 G1339 | A1337-Q1366 PolarHBondContact O-N 2.87Å; V1338-Q1366 VanDerWaalsContact CA-O 3.32Å; V1338-Q1366 WeakPolarHBondContact CA-O 3.26Å; V1338-Q1366 HydrophobicContact CG2-CB 3.95Å; G1339-Q1366 PolarHBondContact N-O 3.47Å; G1339-Q1366 VanDerWaalsContact N-O 3.14Å |
| 1367 | G | 65.6 | Low | 73.3 | Confident | 38 Ų | 38 | 38.1 Ų | 38.1 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 139.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1368 | G | 62.7 | Low | 74.4 | Confident | 34 Ų | 34 | 37.6 Ų | 37.6 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | trans | -160.9 | -3.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G1339 T1372 | G1339-G1368 PolarHBondContact O-N 3.23Å; G1368-T1372 WeakPolarHBondContact O-CB 3.35Å; G1368-T1372 PolarHBondContact O-OG1 3.38Å | ||
| 1369 | G | 70.5 | Confident | 75.3 | Confident | 28 Ų | 28 | 39.1 Ų | 39.1 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | trans | 81.3 | 147.7 | -168 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1339 G1371 T1372 G1373 | G1339-G1369 PolarHBondContact O-N 3.19Å; G1369-G1371 VanDerWaalsContact C-N 3.32Å; G1369-G1371 PolarHBondContact O-N 2.93Å; G1369-T1372 WeakPolarHBondContact O-CA 3.47Å; G1369-T1372 VanDerWaalsContact O-CB 3.29Å; G1369-T1372 WeakPolarHBondContact O-CB 3.2Å; G1369-T1372 PolarHBondContact O-N 3.31Å; G1369-G1373 PolarHBondContact O-N 2.7Å; G1369-G1373 VanDerWaalsContact O-N 3.12Å | ||
| 1370 | S | 74.5 | Confident | 76.9 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.3 | -37.5 | -168 | -44.7 | 0 | 0 | 0 | 0 | 113.3 | S1340 T1372 G1373 L1374 D1388 | S1340-S1370 WeakPolarHBondContact CB-OG 3.01Å; S1370-T1372 VanDerWaalsContact C-N 3.33Å; S1370-T1372 PolarHBondContact O-N 3.01Å; S1370-G1373 PolarHBondContact O-N 2.92Å; S1370-L1374 WeakPolarHBondContact O-CB 3.38Å; S1370-L1374 VanDerWaalsContact O-CG 3.29Å; S1370-L1374 WeakPolarHBondContact O-CG 3.37Å; S1370-L1374 PolarHBondContact O-N 2.98Å; S1370-D1388 WeakPolarHBondContact CB-OD1 3.16Å; S1370-D1388 PolarHBondContact OG-OD1 3.3Å |
| 1371 | G | 72.7 | Confident | 78.2 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 23% | 0.227 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -32 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114 | G1369 S1375 | G1369-G1371 VanDerWaalsContact C-N 3.32Å; G1369-G1371 PolarHBondContact O-N 2.93Å; G1371-S1375 VanDerWaalsContact O-CB 3.23Å; G1371-S1375 WeakPolarHBondContact O-CB 3.27Å; G1371-S1375 PolarHBondContact O-N 3.45Å; G1371-S1375 PolarHBondContact O-OG 3.12Å |
| 1372 | T | 74.9 | Confident | 79.2 | Confident | 54 Ų | 54 | 40.1 Ų | 40.1 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.4 | -43.7 | 173.8 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | V1338 G1368 G1369 S1370 S1375 Q1376 | V1338-T1372 HydrophobicContact CG1-CG2 4.06Å; G1368-T1372 WeakPolarHBondContact O-CB 3.35Å; G1368-T1372 PolarHBondContact O-OG1 3.38Å; G1369-T1372 WeakPolarHBondContact O-CA 3.47Å; G1369-T1372 VanDerWaalsContact O-CB 3.29Å; G1369-T1372 WeakPolarHBondContact O-CB 3.2Å; G1369-T1372 PolarHBondContact O-N 3.31Å; S1370-T1372 VanDerWaalsContact C-N 3.33Å; S1370-T1372 PolarHBondContact O-N 3.01Å; T1372-S1375 PolarHBondContact O-N 2.84Å; T1372-S1375 PolarHBondContact O-OG 3.04Å; T1372-Q1376 HydrophobicContact CG2-CG 4.4Å; T1372-Q1376 WeakPolarHBondContact O-CB 3.34Å; T1372-Q1376 VanDerWaalsContact O-CG 3.29Å; T1372-Q1376 WeakPolarHBondContact O-CG 3.4Å; T1372-Q1376 PolarHBondContact O-N 3.28Å |
| 1373 | G | 79.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.9 | -55.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1338 G1369 S1370 S1375 Q1376 V1377 | V1338-G1373 WeakPolarHBondContact O-CA 3.44Å; G1369-G1373 PolarHBondContact O-N 2.7Å; G1369-G1373 VanDerWaalsContact O-N 3.12Å; S1370-G1373 PolarHBondContact O-N 2.92Å; G1373-S1375 VanDerWaalsContact C-N 3.35Å; G1373-S1375 PolarHBondContact O-N 3.16Å; G1373-Q1376 PolarHBondContact O-N 3.1Å; G1373-V1377 WeakPolarHBondContact O-CG1 3.44Å; G1373-V1377 PolarHBondContact O-N 2.69Å |
| 1374 | L | 87.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.9 | -43.9 | 178.1 | -70.8 | 168.9 | 0 | 0 | 0 | 112.5 | S1370 V1377 Q1378 A1391 K1394 I1397 L1402 Y1540 | S1370-L1374 WeakPolarHBondContact O-CB 3.38Å; S1370-L1374 VanDerWaalsContact O-CG 3.29Å; S1370-L1374 WeakPolarHBondContact O-CG 3.37Å; S1370-L1374 PolarHBondContact O-N 2.98Å; L1374-V1377 WeakPolarHBondContact O-CG1 3.41Å; L1374-Q1378 WeakPolarHBondContact O-CB 3.15Å; L1374-Q1378 PolarHBondContact O-N 2.87Å; L1374-A1391 HydrophobicContact CD2-CB 3.94Å; L1374-K1394 HydrophobicContact CD1-CB 3.66Å; L1374-K1394 HydrophobicContact CD1-CG 4Å; L1374-I1397 HydrophobicContact CB-CD1 3.63Å; L1374-I1397 HydrophobicContact CB-CG1 3.75Å; L1374-I1397 HydrophobicContact CB-CG2 4.21Å; L1374-I1397 HydrophobicContact CD1-CG1 4.19Å; L1374-L1402 HydrophobicContact CD2-CD1 3.79Å; L1374-Y1540 HydrophobicContact CD2-CD1 4.32Å; L1374-Y1540 HydrophobicContact CD2-CD2 3.36Å; L1374-Y1540 HydrophobicContact CD2-CE2 3.86Å; L1374-Y1540 HydrophobicContact CD2-CG 3.63Å |
| 1375 | S | 82.6 | Confident | 81 | Confident | 51 Ų | 51 | 35.3 Ų | 35.3 | 36% | 0.357 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -72.7 | -36.2 | -179.5 | 59.7 | 0 | 0 | 0 | 0 | 113 | G1371 T1372 G1373 S1379 | G1371-S1375 VanDerWaalsContact O-CB 3.23Å; G1371-S1375 WeakPolarHBondContact O-CB 3.27Å; G1371-S1375 PolarHBondContact O-N 3.45Å; G1371-S1375 PolarHBondContact O-OG 3.12Å; T1372-S1375 PolarHBondContact O-N 2.84Å; T1372-S1375 PolarHBondContact O-OG 3.04Å; G1373-S1375 VanDerWaalsContact C-N 3.35Å; G1373-S1375 PolarHBondContact O-N 3.16Å; S1375-S1379 WeakPolarHBondContact O-CB 3.42Å; S1375-S1379 PolarHBondContact O-N 3.21Å; S1375-S1379 PolarHBondContact O-OG 3.22Å |
| 1376 | Q | 86.3 | Confident | 81.2 | Confident | 60 Ų | 60 | 34.2 Ų | 34.2 | 28% | 0.28 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.6 | -47.5 | 175.4 | -72.6 | -170.2 | 28.4 | 0 | 0 | 111.5 | T1372 G1373 Q1378 S1379 G1380 A1381 V1382 | T1372-Q1376 HydrophobicContact CG2-CG 4.4Å; T1372-Q1376 WeakPolarHBondContact O-CB 3.34Å; T1372-Q1376 VanDerWaalsContact O-CG 3.29Å; T1372-Q1376 WeakPolarHBondContact O-CG 3.4Å; T1372-Q1376 PolarHBondContact O-N 3.28Å; G1373-Q1376 PolarHBondContact O-N 3.1Å; Q1376-Q1378 PolarHBondContact O-N 2.75Å; Q1376-S1379 PolarHBondContact O-N 3.05Å; Q1376-S1379 PolarHBondContact O-OG 3.31Å; Q1376-G1380 PolarHBondContact O-N 2.95Å; Q1376-A1381 HydrophobicContact CB-CB 4.33Å; Q1376-A1381 PolarHBondContact O-N 2.84Å; Q1376-V1382 HydrophobicContact CB-CG1 4.47Å; Q1376-V1382 HydrophobicContact CB-CG2 3.77Å |
| 1377 | V | 89.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 176.3 | 72.2 | 0 | 0 | 0 | 0 | 111.2 | G1373 L1374 S1379 G1380 V1382 E1383 L1402 K1542 | G1373-V1377 WeakPolarHBondContact O-CG1 3.44Å; G1373-V1377 PolarHBondContact O-N 2.69Å; L1374-V1377 WeakPolarHBondContact O-CG1 3.41Å; V1377-S1379 VanDerWaalsContact C-N 3.34Å; V1377-S1379 PolarHBondContact O-N 2.89Å; V1377-G1380 PolarHBondContact O-N 3.49Å; V1377-V1382 HydrophobicContact CB-CG2 4.14Å; V1377-E1383 WeakPolarHBondContact CG2-O 3.24Å; V1377-L1402 HydrophobicContact CG1-CD1 4.43Å; V1377-L1402 HydrophobicContact CG1-CD2 3.96Å; V1377-K1542 HydrophobicContact CG2-CB 4.21Å; V1377-K1542 WeakPolarHBondContact O-CB 3.3Å; V1377-K1542 WeakPolarHBondContact O-CD 3.31Å |
| 1378 | Q | 89.5 | Confident | 82.4 | Confident | 41 Ų | 41 | 28.3 Ų | 28.3 | 19% | 0.192 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.2 | -44.5 | 171.5 | 170.7 | 173.8 | -98.4 | 0 | 0 | 112.7 | L1374 Q1376 G1380 G1396 L1402 K1542 | L1374-Q1378 WeakPolarHBondContact O-CB 3.15Å; L1374-Q1378 PolarHBondContact O-N 2.87Å; Q1376-Q1378 PolarHBondContact O-N 2.75Å; Q1378-G1380 PolarHBondContact O-N 3.49Å; Q1378-G1396 PolarHBondContact NE2-O 2.76Å; Q1378-L1402 HydrophobicContact CB-CD2 4.29Å; Q1378-K1542 WeakPolarHBondContact O-CE 3.48Å; Q1378-K1542 PolarHBondContact O-NZ 3.16Å |
| 1379 | S | 85.3 | Confident | 83.2 | Confident | 75 Ų | 75 | 27 Ų | 27 | 52% | 0.524 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.5 | -29.3 | 176.5 | 76.4 | 0 | 0 | 0 | 0 | 112 | S1375 Q1376 V1377 A1381 K1542 | S1375-S1379 WeakPolarHBondContact O-CB 3.42Å; S1375-S1379 PolarHBondContact O-N 3.21Å; S1375-S1379 PolarHBondContact O-OG 3.22Å; Q1376-S1379 PolarHBondContact O-N 3.05Å; Q1376-S1379 PolarHBondContact O-OG 3.31Å; V1377-S1379 VanDerWaalsContact C-N 3.34Å; V1377-S1379 PolarHBondContact O-N 2.89Å; S1379-A1381 WeakPolarHBondContact OG-CB 3.33Å; S1379-A1381 PolarHBondContact OG-N 2.84Å; S1379-K1542 PolarHBondContact O-NZ 3.06Å |
| 1380 | G | 80.7 | Confident | 83.9 | Confident | 49 Ų | 49 | 26.8 Ų | 26.8 | 51% | 0.505 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 27.7 | -170 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1376 V1377 Q1378 | Q1376-G1380 PolarHBondContact O-N 2.95Å; V1377-G1380 PolarHBondContact O-N 3.49Å; Q1378-G1380 PolarHBondContact O-N 3.49Å |
| 1381 | A | 78.4 | Confident | 84.3 | Confident | 67 Ų | 67 | 26.3 Ų | 26.3 | 55% | 0.554 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -83.1 | -21.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1376 S1379 | Q1376-A1381 HydrophobicContact CB-CB 4.33Å; Q1376-A1381 PolarHBondContact O-N 2.84Å; S1379-A1381 WeakPolarHBondContact OG-CB 3.33Å; S1379-A1381 PolarHBondContact OG-N 2.84Å |
| 1382 | V | 85.7 | Confident | 84.7 | Confident | 10 Ų | 10 | 29.4 Ų | 29.4 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -140.8 | 164 | 172.2 | -59.2 | 0 | 0 | 0 | 0 | 110 | T1336 V1338 Q1376 V1377 I1384 | T1336-V1382 HydrophobicContact CG2-CB 4.43Å; T1336-V1382 HydrophobicContact CG2-CG1 3.85Å; V1338-V1382 HydrophobicContact CB-CG2 4.38Å; V1338-V1382 HydrophobicContact CG2-CG1 3.79Å; V1338-V1382 HydrophobicContact CG2-CG2 4.5Å; Q1376-V1382 HydrophobicContact CB-CG1 4.47Å; Q1376-V1382 HydrophobicContact CB-CG2 3.77Å; V1377-V1382 HydrophobicContact CB-CG2 4.14Å; V1382-I1384 WeakPolarHBondContact CG2-O 3.49Å |
| 1383 | E | 91.4 | Very high | 84.6 | Confident | 76 Ų | 76 | 30.3 Ų | 30.3 | 36% | 0.355 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -87.3 | -30.5 | -176.6 | -62.7 | 73.2 | -153 | 0 | 0 | 113.7 | I1335 T1336 V1377 V1549 | I1335-E1383 HydrophobicContact CB-CB 4.14Å; I1335-E1383 HydrophobicContact CB-CG 4.15Å; I1335-E1383 HydrophobicContact CG2-CB 4.25Å; I1335-E1383 HydrophobicContact CG2-CG 3.92Å; T1336-E1383 PolarHBondContact N-OE2 2.87Å; T1336-E1383 PolarHBondContact O-N 3.38Å; V1377-E1383 WeakPolarHBondContact CG2-O 3.24Å; E1383-V1549 HydrophobicContact CB-CG2 3.71Å; E1383-V1549 HydrophobicContact CG-CG2 4.34Å |
| 1384 | I | 93.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135.4 | -179.1 | -60.5 | 176.4 | 0 | 0 | 0 | 110.4 | I1335 T1336 A1337 V1338 V1382 M1539 Y1540 V1549 F1552 | I1335-I1384 HydrophobicContact CD1-CD1 3.82Å; T1336-I1384 PolarHBondContact O-N 2.94Å; T1336-I1384 VanDerWaalsContact O-N 3.09Å; A1337-I1384 WeakPolarHBondContact CA-O 3.39Å; A1337-I1384 HydrophobicContact CB-CB 3.92Å; A1337-I1384 HydrophobicContact CB-CG2 3.96Å; V1338-I1384 PolarHBondContact N-O 3.16Å; V1338-I1384 VanDerWaalsContact N-O 3.12Å; V1382-I1384 WeakPolarHBondContact CG2-O 3.49Å; I1384-M1539 HydrophobicContact CD1-CE 4.11Å; I1384-M1539 HydrophobicContact CG2-CB 4.31Å; I1384-M1539 HydrophobicContact CG2-CE 3.89Å; I1384-M1539 HydrophobicContact CG2-SD 3.67Å; I1384-Y1540 WeakPolarHBondContact CA-O 3.16Å; I1384-V1549 HydrophobicContact CD1-CG1 3.96Å; I1384-V1549 HydrophobicContact CG1-CG1 3.71Å; I1384-V1549 HydrophobicContact CG1-CG2 4.46Å; I1384-F1552 HydrophobicContact CD1-CD1 3.78Å; I1384-F1552 HydrophobicContact CD1-CE1 4.34Å |
| 1385 | G | 90.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 108.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1338 Y1540 | V1338-G1385 CarbonylContact O-C 3.54Å; V1338-G1385 VanDerWaalsContact O-CA 3.27Å; V1338-G1385 WeakPolarHBondContact O-CA 3.41Å; G1385-Y1540 PolarHBondContact N-O 2.8Å; G1385-Y1540 WeakPolarHBondContact O-CB 3.49Å; G1385-Y1540 PolarHBondContact O-N 2.78Å |
| 1386 | N | 87.7 | Confident | 82.9 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.011 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 139.9 | -178.9 | 68 | -76 | 0 | 0 | 0 | 112.1 | V1338 G1339 S1340 L1343 V1347 H1538 M1539 | V1338-N1386 PolarHBondContact O-N 3.05Å; V1338-N1386 PolarHBondContact O-OD1 2.88Å; G1339-N1386 CarbonylContact C-O 3.58Å; G1339-N1386 VanDerWaalsContact CA-O 3.27Å; G1339-N1386 WeakPolarHBondContact CA-O 3.34Å; G1339-N1386 WeakPolarHBondContact CA-OD1 3.29Å; G1339-N1386 PolarHBondContact N-OD1 2.52Å; G1339-N1386 VanDerWaalsContact N-OD1 3.09Å; S1340-N1386 PolarHBondContact N-ND2 3.32Å; S1340-N1386 VanDerWaalsContact N-ND2 3.2Å; S1340-N1386 PolarHBondContact N-O 2.91Å; S1340-N1386 PolarHBondContact O-ND2 3.27Å; L1343-N1386 HydrophobicContact CD1-CB 4.29Å; V1347-N1386 HydrophobicContact CG2-CB 4.23Å; N1386-H1538 CarbonylContact C-O 3.13Å; N1386-H1538 WeakPolarHBondContact CA-O 3.41Å; N1386-M1539 HydrophobicContact CB-CG 4.32Å; N1386-M1539 HydrophobicContact CB-SD 3.81Å |
| 1387 | S | 86.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 136.3 | -164.9 | -173.1 | 0 | 0 | 0 | 0 | 112.3 | L1343 L1389 H1538 | L1343-S1387 WeakPolarHBondContact CD1-O 3.35Å; S1387-L1389 WeakPolarHBondContact CB-O 3.29Å; S1387-L1389 PolarHBondContact O-N 3.3Å; S1387-L1389 PolarHBondContact OG-N 3.18Å; S1387-L1389 PolarHBondContact OG-O 3.41Å; S1387-H1538 PolarHBondContact N-O 2.83Å; S1387-H1538 WeakPolarHBondContact O-CA 3.36Å; S1387-H1538 WeakPolarHBondContact O-CB 3.26Å; S1387-H1538 PolarHBondContact O-N 3.36Å |
| 1388 | D | 81.1 | Confident | 82.3 | Confident | 15 Ų | 15 | 40.2 Ų | 40.2 | 8% | 0.08 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -90.8 | 20.9 | 171.4 | 62.8 | -20.6 | 0 | 0 | 0 | 112.4 | S1370 G1461 E1537 | S1370-D1388 WeakPolarHBondContact CB-OD1 3.16Å; S1370-D1388 PolarHBondContact OG-OD1 3.3Å; D1388-G1461 WeakPolarHBondContact O-CA 3.47Å; D1388-G1461 WeakPolarHBondContact OD2-CA 3.43Å; D1388-G1461 PolarHBondContact OD2-N 2.96Å; D1388-E1537 WeakPolarHBondContact CA-OE2 3.42Å; D1388-E1537 WeakPolarHBondContact CB-OE2 3.33Å |
| 1389 | L | 79.7 | Confident | 81.8 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -149.5 | 152.3 | -175 | -70.2 | 173.9 | 0 | 0 | 0 | 109.7 | S1387 K1394 | S1387-L1389 WeakPolarHBondContact CB-O 3.29Å; S1387-L1389 PolarHBondContact O-N 3.3Å; S1387-L1389 PolarHBondContact OG-N 3.18Å; S1387-L1389 PolarHBondContact OG-O 3.41Å; L1389-K1394 HydrophobicContact CD1-CD 4.21Å |
| 1390 | F | 84.8 | Confident | 81.6 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 10% | 0.101 | 27% | 0.272 | C | S | . | . | trans | -63.6 | 146.4 | 164.7 | -73.4 | -93.5 | 0 | 0 | 0 | 110.5 | E1392 E1393 Y1536 H1538 Y1540 W1583 | F1390-E1392 PolarHBondContact O-N 2.92Å; F1390-E1393 HydrophobicContact CB-CG 4.04Å; F1390-E1393 PolarHBondContact N-OE2 3.38Å; F1390-E1393 WeakPolarHBondContact O-CB 3.24Å; F1390-E1393 PolarHBondContact O-N 3.04Å; F1390-Y1536 HydrophobicContact CE2-CD2 4.43Å; F1390-Y1536 HydrophobicContact CZ-CD2 4.02Å; F1390-H1538 AromaticContact CD1-CE1 3.57Å; F1390-H1538 AromaticContact CD2-NE2 3.85Å; F1390-H1538 AromaticContact CE1-CE1 3.59Å; F1390-H1538 AromaticContact CE2-NE2 3.98Å; F1390-H1538 AromaticContact CG-CE1 3.8Å; F1390-H1538 AromaticContact CG-NE2 3.96Å; F1390-H1538 AromaticContact CZ-CE1 3.83Å; F1390-Y1540 WeakPolarHBondContact CA-OH 3.2Å; F1390-W1583 HydrophobicContact CB-CB 4.29Å; F1390-W1583 HydrophobicContact CD1-CB 4.26Å; F1390-W1583 HydrophobicContact CD2-CB 4.25Å; F1390-W1583 HydrophobicContact CG-CB 4.03Å | ||
| 1391 | A | 82.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -60.2 | -31.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1374 E1393 K1394 I1397 A1399 L1402 Y1540 | L1374-A1391 HydrophobicContact CD2-CB 3.94Å; A1391-E1393 VanDerWaalsContact C-N 3.31Å; A1391-E1393 PolarHBondContact O-N 3.45Å; A1391-K1394 PolarHBondContact O-N 2.79Å; A1391-I1397 HydrophobicContact CB-CG2 4.18Å; A1391-A1399 HydrophobicContact CB-CB 3.92Å; A1391-L1402 HydrophobicContact CB-CD1 4.15Å; A1391-Y1540 HydrophobicContact CB-CD1 4.07Å; A1391-Y1540 HydrophobicContact CB-CE1 3.52Å; A1391-Y1540 HydrophobicContact CB-CE2 4.28Å; A1391-Y1540 PolarHBondContact N-OH 3.09Å |
| 1392 | E | 81.7 | Confident | 82.2 | Confident | 87 Ų | 87 | 44.1 Ų | 44.1 | 41% | 0.407 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -65.1 | -28.7 | 174.5 | -66.2 | 93 | 145.1 | 0 | 0 | 113.6 | F1390 K1394 A1399 W1583 | F1390-E1392 PolarHBondContact O-N 2.92Å; E1392-K1394 VanDerWaalsContact C-N 3.31Å; E1392-A1399 HydrophobicContact CG-CB 3.71Å; E1392-W1583 HydrophobicContact CB-CD2 4Å; E1392-W1583 HydrophobicContact CB-CE3 4.49Å; E1392-W1583 HydrophobicContact CB-CG 4Å; E1392-W1583 HydrophobicContact CG-CD2 4.27Å; E1392-W1583 HydrophobicContact CG-CG 4.21Å; E1392-W1583 HydrophobicContact CG-CZ2 4.5Å; E1392-W1583 PolarHBondContact OE1-NE1 3.21Å |
| 1393 | E | 74.1 | Confident | 82.3 | Confident | 72 Ų | 72 | 46.1 Ų | 46.1 | 34% | 0.336 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -78.4 | -17.1 | 177.8 | -65.2 | 172.4 | 132.2 | 0 | 0 | 112.2 | F1390 A1391 | F1390-E1393 HydrophobicContact CB-CG 4.04Å; F1390-E1393 PolarHBondContact N-OE2 3.38Å; F1390-E1393 WeakPolarHBondContact O-CB 3.24Å; F1390-E1393 PolarHBondContact O-N 3.04Å; A1391-E1393 VanDerWaalsContact C-N 3.31Å; A1391-E1393 PolarHBondContact O-N 3.45Å |
| 1394 | K | 70.2 | Confident | 82.2 | Confident | 55 Ų | 55 | 45 Ų | 45 | 24% | 0.239 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -94.9 | 106.9 | -176.4 | -159.2 | 76.3 | -156.1 | 169.2 | 0 | 112.6 | L1374 L1389 A1391 E1392 G1396 I1397 | L1374-K1394 HydrophobicContact CD1-CB 3.66Å; L1374-K1394 HydrophobicContact CD1-CG 4Å; L1389-K1394 HydrophobicContact CD1-CD 4.21Å; A1391-K1394 PolarHBondContact O-N 2.79Å; E1392-K1394 VanDerWaalsContact C-N 3.31Å; K1394-G1396 PolarHBondContact O-N 3.36Å; K1394-I1397 HydrophobicContact CB-CB 4.45Å; K1394-I1397 HydrophobicContact CB-CG1 3.86Å; K1394-I1397 HydrophobicContact CG-CG1 3.95Å; K1394-I1397 WeakPolarHBondContact O-CB 3.48Å; K1394-I1397 PolarHBondContact O-N 3.4Å; K1394-I1397 VanDerWaalsContact O-N 3.12Å |
| 1395 | S | 67.3 | Low | 82.1 | Confident | 100 Ų | 100 | 46.7 Ų | 46.7 | 70% | 0.699 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 131.8 | 172.2 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1396 | G | 75.8 | Confident | 82.1 | Confident | 71 Ų | 71 | 48.6 Ų | 48.6 | 73% | 0.732 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -2.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q1378 K1394 | Q1378-G1396 PolarHBondContact NE2-O 2.76Å; K1394-G1396 PolarHBondContact O-N 3.36Å |
| 1397 | I | 78 | Confident | 82.2 | Confident | 30 Ų | 30 | 48.5 Ų | 48.5 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | trans | -99.7 | 143.3 | 174.7 | -52.2 | -56.9 | 0 | 0 | 0 | 110.6 | L1374 A1391 K1394 L1402 | L1374-I1397 HydrophobicContact CB-CD1 3.63Å; L1374-I1397 HydrophobicContact CB-CG1 3.75Å; L1374-I1397 HydrophobicContact CB-CG2 4.21Å; L1374-I1397 HydrophobicContact CD1-CG1 4.19Å; A1391-I1397 HydrophobicContact CB-CG2 4.18Å; K1394-I1397 HydrophobicContact CB-CB 4.45Å; K1394-I1397 HydrophobicContact CB-CG1 3.86Å; K1394-I1397 HydrophobicContact CG-CG1 3.95Å; K1394-I1397 WeakPolarHBondContact O-CB 3.48Å; K1394-I1397 PolarHBondContact O-N 3.4Å; K1394-I1397 VanDerWaalsContact O-N 3.12Å; I1397-L1402 HydrophobicContact CG2-CD1 3.7Å | ||
| 1398 | D | 83.3 | Confident | 82.3 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 34% | 0.342 | 27% | 0.272 | S | S | . | . | trans | -110.8 | 82.5 | -178.1 | -169.1 | -47.5 | 0 | 0 | 0 | 107.5 | D1400 K1401 | D1398-D1400 PolarHBondContact O-N 3.44Å; D1398-D1400 VanDerWaalsContact O-N 3.16Å; D1398-K1401 HydrophobicContact CB-CD 4.38Å; D1398-K1401 WeakPolarHBondContact O-CB 3.38Å; D1398-K1401 PolarHBondContact O-N 3.44Å; D1398-K1401 IonicContact OD1-NZ 2.67Å; D1398-K1401 PolarHBondContact OD1-NZ 3.16Å; D1398-K1401 VanDerWaalsContact OD1-NZ 3.12Å; D1398-K1401 IonicContact OD2-NZ 2.77Å; D1398-K1401 PolarHBondContact OD2-NZ 2.9Å | ||
| 1399 | A | 80.5 | Confident | 82.8 | Confident | 25 Ų | 25 | 47.8 Ų | 47.8 | 21% | 0.207 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -56.7 | -30.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1391 E1392 K1401 L1402 | A1391-A1399 HydrophobicContact CB-CB 3.92Å; E1392-A1399 HydrophobicContact CG-CB 3.71Å; A1399-K1401 PolarHBondContact O-N 2.88Å; A1399-L1402 PolarHBondContact O-N 2.63Å |
| 1400 | D | 81.3 | Confident | 83.2 | Confident | 166 Ų | 166 | 47.8 Ų | 47.8 | 89% | 0.888 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -56.2 | -19.3 | 173.2 | -81.9 | -15.3 | 0 | 0 | 0 | 113.8 | D1398 | D1398-D1400 PolarHBondContact O-N 3.44Å; D1398-D1400 VanDerWaalsContact O-N 3.16Å |
| 1401 | K | 81.5 | Confident | 83.4 | Confident | 106 Ų | 106 | 46.8 Ų | 46.8 | 46% | 0.461 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -93.8 | -10.2 | 175.5 | -66.8 | -177 | 178.5 | 62.6 | 0 | 114.1 | D1398 A1399 G1543 | D1398-K1401 HydrophobicContact CB-CD 4.38Å; D1398-K1401 WeakPolarHBondContact O-CB 3.38Å; D1398-K1401 PolarHBondContact O-N 3.44Å; D1398-K1401 IonicContact OD1-NZ 2.67Å; D1398-K1401 PolarHBondContact OD1-NZ 3.16Å; D1398-K1401 VanDerWaalsContact OD1-NZ 3.12Å; D1398-K1401 IonicContact OD2-NZ 2.77Å; D1398-K1401 PolarHBondContact OD2-NZ 2.9Å; A1399-K1401 PolarHBondContact O-N 2.88Å; K1401-G1543 PolarHBondContact O-N 3.11Å |
| 1402 | L | 89.1 | Confident | 83.9 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 162.5 | -178.3 | -57.6 | -176 | 0 | 0 | 0 | 110.2 | L1374 V1377 Q1378 A1391 I1397 A1399 Y1540 T1541 | L1374-L1402 HydrophobicContact CD2-CD1 3.79Å; V1377-L1402 HydrophobicContact CG1-CD1 4.43Å; V1377-L1402 HydrophobicContact CG1-CD2 3.96Å; Q1378-L1402 HydrophobicContact CB-CD2 4.29Å; A1391-L1402 HydrophobicContact CB-CD1 4.15Å; I1397-L1402 HydrophobicContact CG2-CD1 3.7Å; A1399-L1402 PolarHBondContact O-N 2.63Å; L1402-Y1540 HydrophobicContact CB-CD1 3.9Å; L1402-Y1540 HydrophobicContact CD1-CD1 4.23Å; L1402-Y1540 HydrophobicContact CD1-CG 4.4Å; L1402-T1541 CarbonylContact C-O 3.6Å; L1402-T1541 VanDerWaalsContact CA-O 3.31Å; L1402-T1541 WeakPolarHBondContact CA-O 3.39Å |
| 1403 | V | 87.6 | Confident | 84.4 | Confident | 52 Ų | 52 | 42.8 Ų | 42.8 | 32% | 0.315 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 122.5 | 167.6 | 176.9 | 0 | 0 | 0 | 0 | 106.6 | H1405 Y1540 T1541 G1543 | V1403-H1405 PolarHBondContact O-CD2 2.98Å; V1403-Y1540 WeakPolarHBondContact O-CA 3.33Å; V1403-T1541 PolarHBondContact N-O 3.04Å; V1403-T1541 PolarHBondContact O-N 3.46Å; V1403-T1541 VanDerWaalsContact O-N 3.08Å; V1403-G1543 VanDerWaalsContact CG2-O 3.25Å; V1403-G1543 WeakPolarHBondContact CG2-O 3.41Å |
| 1404 | D | 90.5 | Very high | 85.4 | Confident | 52 Ų | 52 | 39.3 Ų | 39.3 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 133.6 | 173.1 | -175.3 | 20.3 | 0 | 0 | 0 | 110.6 | K1406 H1538 Y1540 | D1404-K1406 PolarHBondContact OD1-N 3.42Å; D1404-K1406 WeakPolarHBondContact OD2-CG 3.48Å; D1404-H1538 VanDerWaalsContact CG-ND1 3.32Å; D1404-H1538 IonicContact OD1-CE1 2.65Å; D1404-H1538 IonicContact OD1-CG 2.73Å; D1404-H1538 IonicContact OD1-ND1 3.53Å; D1404-H1538 PolarHBondContact OD1-ND1 2.81Å; D1404-H1538 IonicContact OD2-CE1 3.25Å; D1404-H1538 IonicContact OD2-ND1 2.75Å; D1404-H1538 PolarHBondContact OD2-ND1 3.4Å; D1404-Y1540 VanDerWaalsContact CA-CE1 3.48Å; D1404-Y1540 HydrophobicContact CB-CD1 4.24Å; D1404-Y1540 HydrophobicContact CB-CE1 3.49Å; D1404-Y1540 VanDerWaalsContact CB-CE1 3.49Å; D1404-Y1540 PolarHBondContact OD1-OH 3.04Å |
| 1405 | H | 90.8 | Very high | 86.6 | Confident | 37 Ų | 37 | 36.7 Ų | 36.7 | 17% | 0.171 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 94.5 | 164.5 | -49.8 | -100.1 | 0 | 0 | 0 | 106.7 | V1403 V1407 M1539 T1541 L1553 | V1403-H1405 PolarHBondContact O-CD2 2.98Å; H1405-V1407 PolarHBondContact O-N 3.31Å; H1405-M1539 WeakPolarHBondContact CB-O 3.43Å; H1405-M1539 PolarHBondContact CD2-O 3.22Å; H1405-M1539 VanDerWaalsContact CD2-O 3.23Å; H1405-M1539 PolarHBondContact N-O 2.9Å; H1405-M1539 PolarHBondContact O-N 2.94Å; H1405-T1541 PolarHBondContact NE2-OG1 3.39Å; H1405-T1541 VanDerWaalsContact NE2-OG1 3.08Å; H1405-L1553 HydrophobicContact CB-CD2 3.97Å |
| 1406 | K | 90.3 | Very high | 88 | Confident | 39 Ų | 39 | 32 Ų | 32 | 17% | 0.17 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 127 | 167.8 | -57.7 | 173.1 | 177.4 | -176.4 | 0 | 107.9 | D1404 Y1536 L1557 I1574 E1580 R1581 | D1404-K1406 PolarHBondContact OD1-N 3.42Å; D1404-K1406 WeakPolarHBondContact OD2-CG 3.48Å; K1406-Y1536 HydrophobicContact CB-CD1 4.12Å; K1406-Y1536 HydrophobicContact CB-CG 4.43Å; K1406-Y1536 HydrophobicContact CD-CD1 3.86Å; K1406-Y1536 HydrophobicContact CD-CD2 3.95Å; K1406-Y1536 HydrophobicContact CD-CE1 3.95Å; K1406-Y1536 HydrophobicContact CD-CE2 4.03Å; K1406-Y1536 HydrophobicContact CD-CG 3.88Å; K1406-Y1536 HydrophobicContact CG-CD1 4.22Å; K1406-Y1536 HydrophobicContact CG-CG 4.12Å; K1406-L1557 WeakPolarHBondContact O-CD2 3.31Å; K1406-I1574 HydrophobicContact CB-CD1 3.66Å; K1406-I1574 WeakPolarHBondContact O-CD1 3.18Å; K1406-E1580 IonicContact NZ-OE1 3.07Å; K1406-E1580 PolarHBondContact NZ-OE1 3.23Å; K1406-R1581 PolarHBondContact NZ-O 2.69Å |
| 1407 | V | 89.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | -20.6 | -175.7 | -72.6 | 0 | 0 | 0 | 0 | 115.5 | L1343 H1405 E1537 M1539 M1556 L1557 Q1562 I1574 | L1343-V1407 HydrophobicContact CD2-CG2 4.36Å; H1405-V1407 PolarHBondContact O-N 3.31Å; V1407-E1537 WeakPolarHBondContact CG2-O 3.43Å; V1407-E1537 PolarHBondContact N-O 3.46Å; V1407-M1539 HydrophobicContact CG1-CB 4.34Å; V1407-M1539 HydrophobicContact CG1-CG 4.04Å; V1407-M1539 HydrophobicContact CG2-CG 3.8Å; V1407-M1556 HydrophobicContact CB-CG 4.04Å; V1407-M1556 HydrophobicContact CB-SD 3.73Å; V1407-M1556 HydrophobicContact CG1-CB 4.49Å; V1407-M1556 HydrophobicContact CG1-CG 4.01Å; V1407-M1556 HydrophobicContact CG1-SD 3.69Å; V1407-M1556 HydrophobicContact CG2-SD 3.87Å; V1407-L1557 HydrophobicContact CG1-CD2 4.41Å; V1407-L1557 HydrophobicContact CG1-CG 4.44Å; V1407-Q1562 PolarHBondContact O-NE2 2.91Å; V1407-I1574 VanDerWaalsContact C-CD1 3.44Å |
| 1408 | A | 89.5 | Confident | 89.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 175.1 | 169 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1346 Y1536 E1537 V1566 Y1571 | L1346-A1408 HydrophobicContact CD2-CB 4.04Å; A1408-Y1536 WeakPolarHBondContact O-CA 3.38Å; A1408-E1537 HydrophobicContact CB-CB 4.08Å; A1408-E1537 HydrophobicContact CB-CG 4.39Å; A1408-E1537 PolarHBondContact N-O 2.79Å; A1408-E1537 PolarHBondContact O-N 2.96Å; A1408-V1566 HydrophobicContact CB-CG1 3.99Å; A1408-Y1571 HydrophobicContact CB-CD1 4.22Å; A1408-Y1571 HydrophobicContact CB-CG 4.26Å |
| 1409 | V | 90.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 141.5 | 166.8 | 165.5 | 0 | 0 | 0 | 0 | 110.2 | V1526 W1534 A1535 Y1536 I1572 I1574 M1577 | V1409-V1526 HydrophobicContact CG1-CG1 4.07Å; V1409-W1534 HydrophobicContact CG1-CD2 4.4Å; V1409-W1534 HydrophobicContact CG1-CE3 3.81Å; V1409-W1534 HydrophobicContact CG1-CZ3 4.45Å; V1409-W1534 HydrophobicContact CG2-CE3 4.46Å; V1409-W1534 HydrophobicContact CG2-CZ3 4.33Å; V1409-A1535 WeakPolarHBondContact CA-O 2.97Å; V1409-Y1536 HydrophobicContact CG2-CD1 3.34Å; V1409-Y1536 HydrophobicContact CG2-CE1 3.4Å; V1409-Y1536 VanDerWaalsContact CG2-CE1 3.4Å; V1409-Y1536 HydrophobicContact CG2-CG 4.3Å; V1409-I1572 HydrophobicContact CB-CB 3.99Å; V1409-I1572 HydrophobicContact CB-CG2 4.36Å; V1409-I1572 HydrophobicContact CG1-CB 4.1Å; V1409-I1572 HydrophobicContact CG1-CD1 4.3Å; V1409-I1572 HydrophobicContact CG1-CG2 4.45Å; V1409-I1572 PolarHBondContact N-O 2.88Å; V1409-I1572 PolarHBondContact O-N 2.86Å; V1409-I1574 HydrophobicContact CG2-CG1 4.31Å; V1409-M1577 HydrophobicContact CB-CG 4.48Å; V1409-M1577 HydrophobicContact CB-SD 4.25Å; V1409-M1577 HydrophobicContact CG1-CE 4.08Å; V1409-M1577 HydrophobicContact CG1-SD 3.9Å; V1409-M1577 HydrophobicContact CG2-CE 4.21Å; V1409-M1577 HydrophobicContact CG2-CG 3.89Å; V1409-M1577 HydrophobicContact CG2-SD 4.09Å |
| 1410 | V | 88 | Confident | 89.9 | Confident | 9 Ų | 9 | 29.9 Ų | 29.9 | 6% | 0.055 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 115.3 | 177.8 | 65.1 | 0 | 0 | 0 | 0 | 110.8 | A1503 W1534 A1535 E1537 Y1571 | V1410-A1503 HydrophobicContact CG2-CB 3.38Å; V1410-W1534 WeakPolarHBondContact O-CA 3.42Å; V1410-W1534 WeakPolarHBondContact O-CB 3.19Å; V1410-A1535 HydrophobicContact CG1-CB 4.19Å; V1410-A1535 PolarHBondContact N-O 3.26Å; V1410-A1535 PolarHBondContact O-N 2.84Å; V1410-A1535 VanDerWaalsContact O-N 3.07Å; V1410-E1537 HydrophobicContact CB-CG 4.36Å; V1410-E1537 HydrophobicContact CG1-CG 4.31Å; V1410-Y1571 HydrophobicContact CB-CD1 4.01Å; V1410-Y1571 HydrophobicContact CB-CE1 3.97Å; V1410-Y1571 HydrophobicContact CG2-CD1 4.29Å; V1410-Y1571 HydrophobicContact CG2-CE1 4.06Å |
| 1411 | G | 90.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 136.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A1503 F1504 | G1411-A1503 CarbonylContact O-C 3.57Å; G1411-A1503 VanDerWaalsContact O-CA 3.27Å; G1411-A1503 WeakPolarHBondContact O-CA 3.34Å; G1411-F1504 VanDerWaalsContact C-CE1 3.44Å; G1411-F1504 WeakPolarHBondContact O-CD1 3.3Å; G1411-F1504 WeakPolarHBondContact O-CG 3.13Å; G1411-F1504 PolarHBondContact O-N 3.46Å |
| 1412 | I | 91.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.3 | -179.2 | -65.3 | 158.7 | 0 | 0 | 0 | 109.1 | T1462 T1465 T1502 W1531 I1533 | I1412-T1462 HydrophobicContact CD1-CG2 4.16Å; I1412-T1462 HydrophobicContact CG1-CG2 4.27Å; I1412-T1465 HydrophobicContact CD1-CG2 3.8Å; I1412-T1502 WeakPolarHBondContact CA-O 3.26Å; I1412-W1531 PolarHBondContact O-NE1 2.76Å; I1412-I1533 HydrophobicContact CB-CG2 3.94Å; I1412-I1533 HydrophobicContact CG2-CG2 4.02Å; I1412-I1533 PolarHBondContact N-O 3.02Å |
| 1413 | T | 93.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 142.8 | 179.5 | -178.7 | 0 | 0 | 0 | 0 | 112 | I1415 Y1501 T1502 F1504 V1507 T1513 | T1413-I1415 HydrophobicContact CG2-CG2 4.19Å; T1413-Y1501 VanDerWaalsContact O-CA 3.3Å; T1413-Y1501 WeakPolarHBondContact O-CA 3.12Å; T1413-T1502 PolarHBondContact N-O 2.95Å; T1413-T1502 PolarHBondContact O-N 3.28Å; T1413-F1504 HydrophobicContact CG2-CD1 3.87Å; T1413-F1504 HydrophobicContact CG2-CE1 4.18Å; T1413-V1507 HydrophobicContact CG2-CG2 3.56Å; T1413-T1513 HydrophobicContact CG2-CG2 3.77Å |
| 1414 | P | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 141.2 | 159.7 | 30.5 | -35.8 | 0 | 0 | 0 | 110.1 | L1430 S1500 L1514 I1516 | P1414-L1430 HydrophobicContact CB-CD1 4.01Å; P1414-L1430 HydrophobicContact CB-CD2 4.3Å; P1414-L1430 HydrophobicContact CG-CD1 4.37Å; P1414-L1430 HydrophobicContact CG-CD2 3.99Å; P1414-S1500 CarbonylContact C-O 3.6Å; P1414-S1500 VanDerWaalsContact CA-O 3.24Å; P1414-S1500 WeakPolarHBondContact CA-O 3.4Å; P1414-L1514 HydrophobicContact CG-CB 4.11Å; P1414-L1514 PolarHBondContact O-N 3.46Å; P1414-I1516 HydrophobicContact CG-CD1 4.09Å; P1414-I1516 HydrophobicContact CG-CG1 4.45Å |
| 1415 | I | 95.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142.7 | 174.4 | 54.3 | 163.4 | 0 | 0 | 0 | 109.7 | T1413 V1488 R1489 V1492 I1499 S1500 T1502 V1507 V1511 Q1512 T1513 | T1413-I1415 HydrophobicContact CG2-CG2 4.19Å; I1415-V1488 HydrophobicContact CD1-CG1 4.12Å; I1415-R1489 HydrophobicContact CD1-CB 4.45Å; I1415-V1492 HydrophobicContact CB-CG1 4.5Å; I1415-V1492 HydrophobicContact CD1-CB 4.16Å; I1415-V1492 HydrophobicContact CD1-CG1 4.22Å; I1415-V1492 HydrophobicContact CD1-CG2 4.19Å; I1415-V1492 HydrophobicContact CG1-CG1 4.25Å; I1415-V1492 HydrophobicContact CG1-CG2 4.4Å; I1415-I1499 CarbonylContact O-C 3.52Å; I1415-I1499 WeakPolarHBondContact O-CA 3.38Å; I1415-S1500 PolarHBondContact N-O 2.74Å; I1415-S1500 PolarHBondContact O-N 3Å; I1415-T1502 HydrophobicContact CD1-CG2 3.93Å; I1415-T1502 HydrophobicContact CG1-CG2 4.37Å; I1415-T1502 HydrophobicContact CG2-CG2 4.21Å; I1415-V1507 HydrophobicContact CG2-CG2 4.18Å; I1415-V1511 HydrophobicContact CB-CB 4.36Å; I1415-V1511 HydrophobicContact CB-CG2 4.15Å; I1415-V1511 HydrophobicContact CD1-CG1 4.32Å; I1415-V1511 HydrophobicContact CD1-CG2 4.31Å; I1415-V1511 HydrophobicContact CG2-CG2 4.01Å; I1415-Q1512 CarbonylContact C-O 3.48Å; I1415-Q1512 VanDerWaalsContact CA-O 3.29Å; I1415-Q1512 WeakPolarHBondContact CA-O 3.45Å; I1415-T1513 HydrophobicContact CG2-CG2 4.3Å |
| 1416 | V | 96.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 158.8 | 179.6 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | K1418 V1420 W1441 A1498 I1499 Q1512 L1514 | V1416-K1418 PolarHBondContact O-N 3.24Å; V1416-V1420 HydrophobicContact CB-CG2 4.39Å; V1416-W1441 HydrophobicContact CB-CZ2 4.39Å; V1416-W1441 HydrophobicContact CG1-CH2 3.53Å; V1416-W1441 HydrophobicContact CG1-CZ2 3.72Å; V1416-A1498 VanDerWaalsContact CA-O 3.32Å; V1416-A1498 WeakPolarHBondContact CA-O 3.47Å; V1416-I1499 HydrophobicContact CG1-CB 4.14Å; V1416-I1499 HydrophobicContact CG1-CD1 4.19Å; V1416-I1499 HydrophobicContact CG1-CG1 3.87Å; V1416-Q1512 HydrophobicContact CG2-CB 3.97Å; V1416-Q1512 PolarHBondContact N-O 2.9Å; V1416-Q1512 PolarHBondContact O-N 2.81Å; V1416-L1514 HydrophobicContact CG1-CD1 3.73Å; V1416-L1514 HydrophobicContact CG1-CD2 4.25Å; V1416-L1514 HydrophobicContact CG1-CG 3.9Å; V1416-L1514 HydrophobicContact CG2-CD2 3.98Å; V1416-L1514 HydrophobicContact CG2-CG 4.26Å |
| 1417 | N | 95.1 | Very high | 90.8 | Very high | 14 Ų | 14 | 21.3 Ų | 21.3 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | trans | -62.9 | 132.9 | 168.2 | -169.8 | -85.9 | 0 | 0 | 0 | 110.6 | G1419 V1420 V1492 A1493 T1495 A1498 | N1417-G1419 PolarHBondContact O-N 3.25Å; N1417-G1419 WeakPolarHBondContact OD1-CA 3.47Å; N1417-G1419 PolarHBondContact OD1-N 2.98Å; N1417-V1420 HydrophobicContact CB-CG2 4.3Å; N1417-V1420 VanDerWaalsContact O-CB 3.31Å; N1417-V1420 WeakPolarHBondContact O-CB 3.42Å; N1417-V1420 VanDerWaalsContact O-CG2 3.27Å; N1417-V1420 WeakPolarHBondContact O-CG2 3.21Å; N1417-V1420 PolarHBondContact O-N 3.35Å; N1417-V1492 WeakPolarHBondContact CA-O 3.27Å; N1417-V1492 VanDerWaalsContact CB-O 3.25Å; N1417-V1492 WeakPolarHBondContact CB-O 3.39Å; N1417-V1492 PolarHBondContact ND2-O 3.01Å; N1417-A1493 PolarHBondContact ND2-O 3.28Å; N1417-T1495 WeakPolarHBondContact CB-O 3.13Å; N1417-T1495 PolarHBondContact ND2-O 2.92Å; N1417-T1495 VanDerWaalsContact ND2-O 3.09Å; N1417-A1498 PolarHBondContact N-O 2.79Å | ||
| 1418 | K | 88.6 | Confident | 90.9 | Very high | 111 Ų | 111 | 25.2 Ų | 25.2 | 48% | 0.483 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -19 | 178 | -74.1 | -178.6 | 173.3 | -170 | 0 | 114.6 | V1416 V1420 K1509 E1510 V1511 Q1512 | V1416-K1418 PolarHBondContact O-N 3.24Å; K1418-V1420 VanDerWaalsContact C-N 3.25Å; K1418-V1420 PolarHBondContact O-N 3.06Å; K1418-K1509 WeakPolarHBondContact CE-O 3.21Å; K1418-K1509 PolarHBondContact NZ-O 2.97Å; K1418-E1510 WeakPolarHBondContact CD-O 3.43Å; K1418-E1510 WeakPolarHBondContact CE-O 3.37Å; K1418-V1511 WeakPolarHBondContact CE-O 3.36Å; K1418-Q1512 HydrophobicContact CG-CB 3.99Å |
| 1419 | G | 84.2 | Confident | 91.1 | Very high | 21 Ų | 21 | 27.8 Ų | 27.8 | 22% | 0.216 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | N1417 G1421 K1447 | N1417-G1419 PolarHBondContact O-N 3.25Å; N1417-G1419 WeakPolarHBondContact OD1-CA 3.47Å; N1417-G1419 PolarHBondContact OD1-N 2.98Å; G1419-G1421 PolarHBondContact O-N 3.3Å; G1419-K1447 WeakPolarHBondContact O-CD 3.18Å; G1419-K1447 WeakPolarHBondContact O-CE 3.34Å; G1419-K1447 PolarHBondContact O-NZ 2.68Å |
| 1420 | V | 89.8 | Confident | 91.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -62.1 | -43.8 | -166.8 | 165.4 | 0 | 0 | 0 | 0 | 114.4 | V1416 N1417 K1418 V1422 W1441 K1447 | V1416-V1420 HydrophobicContact CB-CG2 4.39Å; N1417-V1420 HydrophobicContact CB-CG2 4.3Å; N1417-V1420 VanDerWaalsContact O-CB 3.31Å; N1417-V1420 WeakPolarHBondContact O-CB 3.42Å; N1417-V1420 VanDerWaalsContact O-CG2 3.27Å; N1417-V1420 WeakPolarHBondContact O-CG2 3.21Å; N1417-V1420 PolarHBondContact O-N 3.35Å; K1418-V1420 VanDerWaalsContact C-N 3.25Å; K1418-V1420 PolarHBondContact O-N 3.06Å; V1420-V1422 HydrophobicContact CG1-CB 3.99Å; V1420-V1422 HydrophobicContact CG1-CG2 3.96Å; V1420-W1441 HydrophobicContact CB-CD2 4.31Å; V1420-W1441 HydrophobicContact CB-CG 4.45Å; V1420-W1441 HydrophobicContact CG1-CB 4.23Å; V1420-W1441 HydrophobicContact CG1-CD2 3.23Å; V1420-W1441 HydrophobicContact CG1-CE3 3.45Å; V1420-W1441 VanDerWaalsContact CG1-CE3 3.45Å; V1420-W1441 HydrophobicContact CG1-CG 3.61Å; V1420-W1441 HydrophobicContact CG1-CH2 4.11Å; V1420-W1441 HydrophobicContact CG1-CZ2 3.93Å; V1420-W1441 HydrophobicContact CG1-CZ3 3.9Å; V1420-W1441 HydrophobicContact CG2-CD2 4.13Å; V1420-W1441 HydrophobicContact CG2-CG 4.21Å; V1420-W1441 HydrophobicContact CG2-CZ2 4.05Å; V1420-K1447 PolarHBondContact O-N 3.09Å |
| 1421 | G | 86 | Confident | 91.5 | Very high | 52 Ų | 52 | 29 Ų | 29 | 54% | 0.536 | 17% | 0.169 | S | C | . | . | trans | 83.1 | 6.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | G1419 | G1419-G1421 PolarHBondContact O-N 3.3Š| ||
| 1422 | V | 89.8 | Confident | 91.6 | Very high | 8 Ų | 8 | 31.3 Ų | 31.3 | 5% | 0.048 | 18% | 0.178 | C | C | . | . | trans | -100.3 | 136.5 | 169.6 | -178 | 0 | 0 | 0 | 0 | 108.6 | V1420 N1424 W1441 L1444 G1446 Q1512 L1514 | V1420-V1422 HydrophobicContact CG1-CB 3.99Å; V1420-V1422 HydrophobicContact CG1-CG2 3.96Å; V1422-N1424 WeakPolarHBondContact CG1-O 3.37Å; V1422-W1441 HydrophobicContact CB-CE3 4.29Å; V1422-W1441 HydrophobicContact CB-CZ3 4.26Å; V1422-W1441 HydrophobicContact CG2-CE3 3.82Å; V1422-W1441 HydrophobicContact CG2-CZ3 4.26Å; V1422-L1444 HydrophobicContact CG2-CB 4.27Å; V1422-G1446 VanDerWaalsContact CG2-CA 3.49Å; V1422-Q1512 PolarHBondContact O-NE2 3.45Å; V1422-L1514 HydrophobicContact CB-CD2 4.45Å; V1422-L1514 HydrophobicContact CG1-CD2 4.19Å; V1422-L1514 VanDerWaalsContact O-CD2 3.3Å; V1422-L1514 WeakPolarHBondContact O-CD2 3.12Å | ||
| 1423 | T | 87.4 | Confident | 91.7 | Very high | 92 Ų | 92 | 31.3 Ų | 31.3 | 56% | 0.564 | 18% | 0.178 | S | C | * | . | trans | -118.5 | -17.1 | 178.7 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | N1515 | T1423-N1515 PolarHBondContact O-N 3.24Š| ||
| 1424 | N | 92.2 | Very high | 91.8 | Very high | 55 Ų | 55 | 31.2 Ų | 31.2 | 29% | 0.294 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 141.3 | -173.9 | 179.4 | 53.6 | 0 | 0 | 0 | 109.5 | V1422 N1515 N1518 | V1422-N1424 WeakPolarHBondContact CG1-O 3.37Å; N1424-N1515 WeakPolarHBondContact CA-O 3.47Å; N1424-N1515 HydrophobicContact CB-CB 4.11Å; N1424-N1515 WeakPolarHBondContact OD1-CB 3.27Å; N1424-N1515 PolarHBondContact OD1-O 2.7Å; N1424-N1518 PolarHBondContact ND2-OD1 2.78Å; N1424-N1518 WeakPolarHBondContact OD1-CA 3.31Å; N1424-N1518 PolarHBondContact OD1-N 3.25Å |
| 1425 | I | 92.8 | Very high | 91.7 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 5% | 0.051 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 158.7 | -177 | -164.3 | 167 | 0 | 0 | 0 | 109.3 | N1429 L1430 I1433 L1444 L1514 N1515 I1516 D1517 | I1425-N1429 HydrophobicContact CD1-CB 3.91Å; I1425-N1429 HydrophobicContact CG1-CB 3.55Å; I1425-L1430 HydrophobicContact CD1-CB 4.36Å; I1425-L1430 HydrophobicContact CG2-CB 4.13Å; I1425-I1433 HydrophobicContact CD1-CD1 3.58Å; I1425-I1433 HydrophobicContact CD1-CG1 4.5Å; I1425-L1444 HydrophobicContact CD1-CD1 3.76Å; I1425-L1444 HydrophobicContact CD1-CD2 4.05Å; I1425-L1444 HydrophobicContact CG1-CD2 4.27Å; I1425-L1514 HydrophobicContact CG2-CB 4.38Å; I1425-L1514 HydrophobicContact CG2-CD1 4.09Å; I1425-N1515 PolarHBondContact N-O 3.23Å; I1425-I1516 HydrophobicContact CG2-CG1 4.45Å; I1425-I1516 CarbonylContact O-C 3.51Å; I1425-I1516 VanDerWaalsContact O-CA 3.3Å; I1425-I1516 WeakPolarHBondContact O-CA 3.01Å; I1425-D1517 PolarHBondContact O-N 2.97Å |
| 1426 | S | 92.1 | Very high | 91.2 | Very high | 34 Ų | 34 | 34.6 Ų | 34.6 | 24% | 0.238 | 20% | 0.201 | C | C | . | . | trans | -82.4 | 154.1 | 167.5 | 59.2 | 0 | 0 | 0 | 0 | 111.2 | E1428 N1429 L1430 D1517 | S1426-E1428 PolarHBondContact O-N 3.42Å; S1426-N1429 PolarHBondContact O-N 2.99Å; S1426-N1429 WeakPolarHBondContact OG-CB 3.4Å; S1426-N1429 PolarHBondContact OG-N 3.5Å; S1426-L1430 PolarHBondContact O-N 3.01Å; S1426-D1517 WeakPolarHBondContact CA-OD1 3.48Å; S1426-D1517 WeakPolarHBondContact CB-OD1 3.19Å | ||
| 1427 | L | 90.1 | Very high | 91 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 20% | 0.199 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.6 | -39.4 | 175.5 | -172.7 | 70.6 | 0 | 0 | 0 | 111.6 | L1430 R1431 V1470 I1516 D1517 | L1427-L1430 PolarHBondContact O-N 3.49Å; L1427-R1431 VanDerWaalsContact O-CB 3.31Å; L1427-R1431 WeakPolarHBondContact O-CB 3.44Å; L1427-R1431 PolarHBondContact O-N 3.13Å; L1427-V1470 HydrophobicContact CD1-CB 4.34Å; L1427-V1470 HydrophobicContact CD1-CG1 3.99Å; L1427-V1470 HydrophobicContact CD1-CG2 4.17Å; L1427-I1516 HydrophobicContact CB-CG2 3.87Å; L1427-I1516 HydrophobicContact CD1-CG2 4.06Å; L1427-D1517 WeakPolarHBondContact CB-OD2 3.41Å; L1427-D1517 PolarHBondContact N-OD2 2.88Å |
| 1428 | E | 90.4 | Very high | 90.9 | Very high | 81 Ų | 81 | 40.5 Ų | 40.5 | 38% | 0.379 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.7 | -37.6 | 175.7 | 176.5 | 64.3 | -175.4 | 0 | 0 | 112.8 | S1426 R1431 K1432 | S1426-E1428 PolarHBondContact O-N 3.42Å; E1428-R1431 WeakPolarHBondContact O-CB 3.22Å; E1428-R1431 WeakPolarHBondContact OE2-CD 3.2Å; E1428-R1431 IonicContact OE2-CZ 2.59Å; E1428-R1431 IonicContact OE2-NE 2.8Å; E1428-R1431 IonicContact OE2-NH1 3.12Å; E1428-R1431 PolarHBondContact OE2-NH1 2.92Å; E1428-K1432 WeakPolarHBondContact O-CG 2.99Å; E1428-K1432 PolarHBondContact O-N 3.35Å; E1428-K1432 IonicContact OE1-NZ 3.45Å; E1428-K1432 PolarHBondContact OE1-NZ 2.71Å |
| 1429 | N | 93.8 | Very high | 91 | Very high | 55 Ų | 55 | 39.2 Ų | 39.2 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -77.1 | -34.6 | 176.4 | -78.3 | 5.7 | 0 | 0 | 0 | 111.9 | I1425 S1426 R1431 K1432 I1433 I1438 L1444 | I1425-N1429 HydrophobicContact CD1-CB 3.91Å; I1425-N1429 HydrophobicContact CG1-CB 3.55Å; S1426-N1429 PolarHBondContact O-N 2.99Å; S1426-N1429 WeakPolarHBondContact OG-CB 3.4Å; S1426-N1429 PolarHBondContact OG-N 3.5Å; N1429-R1431 VanDerWaalsContact C-N 3.33Å; N1429-K1432 PolarHBondContact O-N 2.87Å; N1429-I1433 PolarHBondContact O-N 3.03Å; N1429-I1438 HydrophobicContact CB-CD1 4.37Å; N1429-L1444 HydrophobicContact CB-CD2 3.88Å; N1429-L1444 WeakPolarHBondContact ND2-CD2 3.42Å |
| 1430 | L | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 171.9 | -178.7 | 65 | 0 | 0 | 0 | 111 | P1414 I1425 S1426 L1427 K1432 I1433 F1434 F1466 V1470 I1499 I1516 | P1414-L1430 HydrophobicContact CB-CD1 4.01Å; P1414-L1430 HydrophobicContact CB-CD2 4.3Å; P1414-L1430 HydrophobicContact CG-CD1 4.37Å; P1414-L1430 HydrophobicContact CG-CD2 3.99Å; I1425-L1430 HydrophobicContact CD1-CB 4.36Å; I1425-L1430 HydrophobicContact CG2-CB 4.13Å; S1426-L1430 PolarHBondContact O-N 3.01Å; L1427-L1430 PolarHBondContact O-N 3.49Å; L1430-K1432 VanDerWaalsContact C-N 3.35Å; L1430-K1432 PolarHBondContact O-N 2.96Å; L1430-I1433 WeakPolarHBondContact O-CB 3.5Å; L1430-I1433 PolarHBondContact O-N 3.48Å; L1430-F1434 HydrophobicContact CD1-CD2 4.12Å; L1430-F1434 HydrophobicContact CD1-CE2 3.91Å; L1430-F1434 HydrophobicContact CG-CD2 4.49Å; L1430-F1434 PolarHBondContact O-N 2.96Å; L1430-F1466 HydrophobicContact CD1-CZ 4.47Å; L1430-F1466 HydrophobicContact CD2-CE2 4.22Å; L1430-F1466 HydrophobicContact CD2-CZ 4.14Å; L1430-F1466 HydrophobicContact CG-CZ 4.19Å; L1430-V1470 HydrophobicContact CB-CG1 4.36Å; L1430-V1470 HydrophobicContact CD2-CG1 3.85Å; L1430-V1470 HydrophobicContact CD2-CG2 4.46Å; L1430-V1470 HydrophobicContact CG-CG1 3.93Å; L1430-I1499 HydrophobicContact CD1-CD1 3.88Å; L1430-I1516 HydrophobicContact CD2-CD1 3.57Å; L1430-I1516 HydrophobicContact CD2-CG1 4.26Å |
| 1431 | R | 93.1 | Very high | 91.7 | Very high | 35 Ų | 35 | 40 Ų | 40 | 13% | 0.132 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.6 | -47.6 | 170.8 | 170.7 | -171.8 | -59.1 | 171.2 | -12.6 | 112 | L1427 E1428 N1429 I1433 F1434 L1435 V1470 L1471 D1472 | L1427-R1431 VanDerWaalsContact O-CB 3.31Å; L1427-R1431 WeakPolarHBondContact O-CB 3.44Å; L1427-R1431 PolarHBondContact O-N 3.13Å; E1428-R1431 WeakPolarHBondContact O-CB 3.22Å; E1428-R1431 WeakPolarHBondContact OE2-CD 3.2Å; E1428-R1431 IonicContact OE2-CZ 2.59Å; E1428-R1431 IonicContact OE2-NE 2.8Å; E1428-R1431 IonicContact OE2-NH1 3.12Å; E1428-R1431 PolarHBondContact OE2-NH1 2.92Å; N1429-R1431 VanDerWaalsContact C-N 3.33Å; R1431-I1433 VanDerWaalsContact C-N 3.32Å; R1431-I1433 PolarHBondContact O-N 2.85Å; R1431-F1434 PolarHBondContact O-N 3.18Å; R1431-F1434 VanDerWaalsContact O-N 3.15Å; R1431-L1435 HydrophobicContact CG-CD1 3.78Å; R1431-L1435 HydrophobicContact CG-CG 4.33Å; R1431-L1435 WeakPolarHBondContact O-CG 3.32Å; R1431-L1435 PolarHBondContact O-N 2.72Å; R1431-V1470 HydrophobicContact CB-CG1 4.37Å; R1431-V1470 PolarHBondContact NE-O 2.84Å; R1431-V1470 PolarHBondContact NH2-O 2.64Å; R1431-V1470 VanDerWaalsContact NH2-O 3.16Å; R1431-L1471 HydrophobicContact CB-CD2 4.02Å; R1431-L1471 HydrophobicContact CG-CD2 3.98Å; R1431-D1472 IonicContact CZ-OD1 2.9Å; R1431-D1472 IonicContact CZ-OD2 3.72Å; R1431-D1472 IonicContact NE-OD2 3.37Å; R1431-D1472 IonicContact NH1-OD2 2.89Å; R1431-D1472 PolarHBondContact NH1-OD2 3.24Å; R1431-D1472 IonicContact NH2-OD1 2.61Å; R1431-D1472 PolarHBondContact NH2-OD1 2.81Å; R1431-D1472 IonicContact NH2-OD2 3.72Å; R1431-D1472 PolarHBondContact NH2-OD2 3.19Å |
| 1432 | K | 93.8 | Very high | 91.8 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 22% | 0.217 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.1 | -34 | 178.2 | -78.5 | -171.9 | 172.5 | 108.7 | 0 | 114 | E1428 N1429 L1430 G1436 E1437 I1438 | E1428-K1432 WeakPolarHBondContact O-CG 2.99Å; E1428-K1432 PolarHBondContact O-N 3.35Å; E1428-K1432 IonicContact OE1-NZ 3.45Å; E1428-K1432 PolarHBondContact OE1-NZ 2.71Å; N1429-K1432 PolarHBondContact O-N 2.87Å; L1430-K1432 VanDerWaalsContact C-N 3.35Å; L1430-K1432 PolarHBondContact O-N 2.96Å; K1432-G1436 PolarHBondContact O-N 3.14Å; K1432-G1436 VanDerWaalsContact O-N 3.11Å; K1432-E1437 HydrophobicContact CB-CB 3.91Å; K1432-E1437 HydrophobicContact CD-CB 4.27Å; K1432-E1437 WeakPolarHBondContact CD-OE2 3.42Å; K1432-E1437 WeakPolarHBondContact CE-OE2 3.48Å; K1432-E1437 HydrophobicContact CG-CB 3.95Å; K1432-E1437 HydrophobicContact CG-CG 4.46Å; K1432-E1437 WeakPolarHBondContact CG-OE2 3.35Å; K1432-E1437 PolarHBondContact O-N 2.74Å; K1432-I1438 HydrophobicContact CB-CD1 3.7Å; K1432-I1438 HydrophobicContact CB-CG1 3.91Å; K1432-I1438 HydrophobicContact CD-CD1 4.28Å; K1432-I1438 PolarHBondContact O-N 3.28Å |
| 1433 | I | 94 | Very high | 92 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.3 | -57.7 | 168.8 | -63.9 | 170.3 | 0 | 0 | 0 | 109.7 | I1425 N1429 L1430 R1431 L1435 G1436 I1438 W1441 L1444 I1451 I1453 I1499 | I1425-I1433 HydrophobicContact CD1-CD1 3.58Å; I1425-I1433 HydrophobicContact CD1-CG1 4.5Å; N1429-I1433 PolarHBondContact O-N 3.03Å; L1430-I1433 WeakPolarHBondContact O-CB 3.5Å; L1430-I1433 PolarHBondContact O-N 3.48Å; R1431-I1433 VanDerWaalsContact C-N 3.32Å; R1431-I1433 PolarHBondContact O-N 2.85Å; I1433-L1435 VanDerWaalsContact C-N 3.25Å; I1433-L1435 PolarHBondContact O-N 3.46Å; I1433-G1436 WeakPolarHBondContact O-CA 3.45Å; I1433-G1436 PolarHBondContact O-N 2.95Å; I1433-I1438 HydrophobicContact CG1-CB 4.34Å; I1433-I1438 HydrophobicContact CG1-CG2 4.33Å; I1433-W1441 HydrophobicContact CD1-CH2 4.05Å; I1433-W1441 HydrophobicContact CD1-CZ3 4.06Å; I1433-L1444 HydrophobicContact CD1-CD1 3.71Å; I1433-L1444 HydrophobicContact CG1-CD1 4.09Å; I1433-I1451 HydrophobicContact CD1-CD1 4.32Å; I1433-I1451 HydrophobicContact CG1-CD1 4.01Å; I1433-I1451 HydrophobicContact CG2-CD1 4.37Å; I1433-I1451 HydrophobicContact CG2-CG2 3.75Å; I1433-I1453 HydrophobicContact CG2-CD1 3.98Å; I1433-I1453 HydrophobicContact CG2-CG1 4.05Å; I1433-I1453 WeakPolarHBondContact O-CD1 3.47Å; I1433-I1499 HydrophobicContact CD1-CD1 3.96Å; I1433-I1499 HydrophobicContact CG2-CD1 4.21Å; I1433-I1499 HydrophobicContact CG2-CG2 4.02Å |
| 1434 | F | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.9 | -13.9 | -173.4 | -79.9 | -85.6 | 0 | 0 | 0 | 114.7 | L1430 R1431 I1453 N1455 F1466 L1471 A1476 I1477 I1499 Y1501 | L1430-F1434 HydrophobicContact CD1-CD2 4.12Å; L1430-F1434 HydrophobicContact CD1-CE2 3.91Å; L1430-F1434 HydrophobicContact CG-CD2 4.49Å; L1430-F1434 PolarHBondContact O-N 2.96Å; R1431-F1434 PolarHBondContact O-N 3.18Å; R1431-F1434 VanDerWaalsContact O-N 3.15Å; F1434-I1453 HydrophobicContact CD1-CG2 3.71Å; F1434-I1453 HydrophobicContact CE1-CG2 3.61Å; F1434-I1453 HydrophobicContact CZ-CG2 4.49Å; F1434-N1455 WeakPolarHBondContact CD1-OD1 3.42Å; F1434-F1466 HydrophobicContact CB-CE1 4.23Å; F1434-F1466 HydrophobicContact CD1-CE1 4.06Å; F1434-F1466 AromaticContact CD2-CE1 3.63Å; F1434-F1466 HydrophobicContact CD2-CE1 3.63Å; F1434-F1466 AromaticContact CD2-CZ 3.55Å; F1434-F1466 HydrophobicContact CD2-CZ 3.55Å; F1434-F1466 HydrophobicContact CE1-CE1 4.34Å; F1434-F1466 AromaticContact CE2-CE1 3.94Å; F1434-F1466 HydrophobicContact CE2-CE1 3.94Å; F1434-F1466 AromaticContact CE2-CZ 3.51Å; F1434-F1466 HydrophobicContact CE2-CZ 3.51Å; F1434-F1466 AromaticContact CG-CE1 3.7Å; F1434-F1466 HydrophobicContact CG-CE1 3.7Å; F1434-F1466 HydrophobicContact CG-CZ 4.11Å; F1434-F1466 HydrophobicContact CZ-CE1 4.29Å; F1434-F1466 HydrophobicContact CZ-CZ 4.06Å; F1434-L1471 HydrophobicContact CB-CD1 4.12Å; F1434-L1471 HydrophobicContact CB-CD2 3.87Å; F1434-A1476 HydrophobicContact CB-CB 4.42Å; F1434-A1476 HydrophobicContact CD1-CB 4.29Å; F1434-A1476 CarbonylContact O-C 3.57Å; F1434-A1476 WeakPolarHBondContact O-CA 3.27Å; F1434-I1477 WeakPolarHBondContact O-CG2 3.49Å; F1434-I1477 PolarHBondContact O-N 3.34Å; F1434-I1499 HydrophobicContact CE2-CD1 3.6Å; F1434-I1499 HydrophobicContact CE2-CG1 3.94Å; F1434-I1499 HydrophobicContact CE2-CG2 4.49Å; F1434-I1499 HydrophobicContact CZ-CD1 4.14Å; F1434-I1499 HydrophobicContact CZ-CG1 3.95Å; F1434-I1499 HydrophobicContact CZ-CG2 4.22Å; F1434-Y1501 HydrophobicContact CD1-CE1 4.14Å; F1434-Y1501 AromaticContact CE1-CD1 3.71Å; F1434-Y1501 HydrophobicContact CE1-CD1 3.71Å; F1434-Y1501 AromaticContact CE1-CE1 3.59Å; F1434-Y1501 HydrophobicContact CE1-CE1 3.59Å; F1434-Y1501 HydrophobicContact CE2-CD1 4.42Å; F1434-Y1501 AromaticContact CZ-CD1 3.66Å; F1434-Y1501 HydrophobicContact CZ-CD1 3.66Å; F1434-Y1501 HydrophobicContact CZ-CE1 4.05Å |
| 1435 | L | 92.2 | Very high | 91.9 | Very high | 46 Ų | 46 | 46 Ų | 46 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -88.7 | -12.6 | 166.1 | -65.2 | 178.9 | 0 | 0 | 0 | 113.6 | R1431 I1433 K1474 | R1431-L1435 HydrophobicContact CG-CD1 3.78Å; R1431-L1435 HydrophobicContact CG-CG 4.33Å; R1431-L1435 WeakPolarHBondContact O-CG 3.32Å; R1431-L1435 PolarHBondContact O-N 2.72Å; I1433-L1435 VanDerWaalsContact C-N 3.25Å; I1433-L1435 PolarHBondContact O-N 3.46Å; L1435-K1474 HydrophobicContact CD1-CD 4.41Å; L1435-K1474 HydrophobicContact CD2-CB 4.23Å; L1435-K1474 HydrophobicContact CD2-CD 4.43Å |
| 1436 | G | 85.3 | Confident | 91.7 | Very high | 25 Ų | 25 | 46.4 Ų | 46.4 | 26% | 0.258 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 16.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | K1432 I1433 | K1432-G1436 PolarHBondContact O-N 3.14Å; K1432-G1436 VanDerWaalsContact O-N 3.11Å; I1433-G1436 WeakPolarHBondContact O-CA 3.45Å; I1433-G1436 PolarHBondContact O-N 2.95Å |
| 1437 | E | 91.5 | Very high | 91.3 | Very high | 119 Ų | 119 | 50.6 Ų | 50.6 | 56% | 0.556 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -77.4 | -22.6 | 173.8 | -69.4 | 179.7 | -137.9 | 0 | 0 | 112.7 | K1432 | K1432-E1437 HydrophobicContact CB-CB 3.91Å; K1432-E1437 HydrophobicContact CD-CB 4.27Å; K1432-E1437 WeakPolarHBondContact CD-OE2 3.42Å; K1432-E1437 WeakPolarHBondContact CE-OE2 3.48Å; K1432-E1437 HydrophobicContact CG-CB 3.95Å; K1432-E1437 HydrophobicContact CG-CG 4.46Å; K1432-E1437 WeakPolarHBondContact CG-OE2 3.35Å; K1432-E1437 PolarHBondContact O-N 2.74Å |
| 1438 | I | 93 | Very high | 91.3 | Very high | 18 Ų | 18 | 54 Ų | 54 | 9% | 0.092 | 29% | 0.292 | C | S | . | . | trans | -121.6 | 131 | 174.1 | -66.2 | 172.7 | 0 | 0 | 0 | 107.8 | N1429 K1432 I1433 E1443 L1444 I1451 | N1429-I1438 HydrophobicContact CB-CD1 4.37Å; K1432-I1438 HydrophobicContact CB-CD1 3.7Å; K1432-I1438 HydrophobicContact CB-CG1 3.91Å; K1432-I1438 HydrophobicContact CD-CD1 4.28Å; K1432-I1438 PolarHBondContact O-N 3.28Å; I1433-I1438 HydrophobicContact CG1-CB 4.34Å; I1433-I1438 HydrophobicContact CG1-CG2 4.33Å; I1438-E1443 HydrophobicContact CG2-CB 3.98Å; I1438-L1444 HydrophobicContact CD1-CD2 4.02Å; I1438-L1444 HydrophobicContact CG2-CD1 4Å; I1438-L1444 HydrophobicContact CG2-CG 4.14Å; I1438-I1451 HydrophobicContact CG2-CD1 3.87Å | ||
| 1439 | T | 91.8 | Very high | 91.1 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 52% | 0.521 | 28% | 0.283 | S | S | . | . | trans | -130.2 | -16 | -166.5 | 59.5 | 0 | 0 | 0 | 0 | 114.5 | E1443 I1451 | T1439-E1443 PolarHBondContact N-OE1 3.44Å; T1439-E1443 PolarHBondContact OG1-OE1 3.32Å; T1439-I1451 PolarHBondContact O-N 3.31Å | ||
| 1440 | N | 94.3 | Very high | 90.8 | Very high | 37 Ų | 37 | 56.6 Ų | 56.6 | 20% | 0.198 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -130.8 | 133.8 | 175.6 | -176.9 | -38.9 | 0 | 0 | 0 | 110.7 | K1442 E1443 D1448 Q1449 | N1440-K1442 PolarHBondContact O-N 2.74Å; N1440-K1442 WeakPolarHBondContact OD1-CB 3.48Å; N1440-K1442 PolarHBondContact OD1-N 2.91Å; N1440-E1443 PolarHBondContact N-OE1 3.4Å; N1440-E1443 VanDerWaalsContact O-CB 3.27Å; N1440-E1443 WeakPolarHBondContact O-CB 3.48Å; N1440-E1443 VanDerWaalsContact O-CG 3.31Å; N1440-E1443 WeakPolarHBondContact O-CG 3.4Å; N1440-E1443 PolarHBondContact O-N 2.81Å; N1440-D1448 PolarHBondContact ND2-OD1 3.22Å; N1440-Q1449 CarbonylContact C-O 3.51Å; N1440-Q1449 WeakPolarHBondContact CA-O 3.39Å; N1440-Q1449 PolarHBondContact OD1-N 2.9Å; N1440-Q1449 VanDerWaalsContact OD1-N 3.07Å; N1440-Q1449 PolarHBondContact OD1-O 2.87Å |
| 1441 | W | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -57.3 | -24.3 | -178.5 | -76.7 | 112.2 | 0 | 0 | 0 | 114.7 | V1416 V1420 V1422 I1433 E1443 L1444 G1445 G1446 K1447 Q1449 I1451 G1497 I1499 L1514 | V1416-W1441 HydrophobicContact CB-CZ2 4.39Å; V1416-W1441 HydrophobicContact CG1-CH2 3.53Å; V1416-W1441 HydrophobicContact CG1-CZ2 3.72Å; V1420-W1441 HydrophobicContact CB-CD2 4.31Å; V1420-W1441 HydrophobicContact CB-CG 4.45Å; V1420-W1441 HydrophobicContact CG1-CB 4.23Å; V1420-W1441 HydrophobicContact CG1-CD2 3.23Å; V1420-W1441 HydrophobicContact CG1-CE3 3.45Å; V1420-W1441 VanDerWaalsContact CG1-CE3 3.45Å; V1420-W1441 HydrophobicContact CG1-CG 3.61Å; V1420-W1441 HydrophobicContact CG1-CH2 4.11Å; V1420-W1441 HydrophobicContact CG1-CZ2 3.93Å; V1420-W1441 HydrophobicContact CG1-CZ3 3.9Å; V1420-W1441 HydrophobicContact CG2-CD2 4.13Å; V1420-W1441 HydrophobicContact CG2-CG 4.21Å; V1420-W1441 HydrophobicContact CG2-CZ2 4.05Å; V1422-W1441 HydrophobicContact CB-CE3 4.29Å; V1422-W1441 HydrophobicContact CB-CZ3 4.26Å; V1422-W1441 HydrophobicContact CG2-CE3 3.82Å; V1422-W1441 HydrophobicContact CG2-CZ3 4.26Å; I1433-W1441 HydrophobicContact CD1-CH2 4.05Å; I1433-W1441 HydrophobicContact CD1-CZ3 4.06Å; W1441-E1443 PolarHBondContact O-N 2.82Å; W1441-L1444 HydrophobicContact CE3-CD1 3.82Å; W1441-L1444 HydrophobicContact CZ3-CD1 3.82Å; W1441-L1444 CarbonylContact O-C 3.25Å; W1441-L1444 WeakPolarHBondContact O-CA 3.23Å; W1441-L1444 WeakPolarHBondContact O-CB 3.45Å; W1441-L1444 PolarHBondContact O-N 3.29Å; W1441-G1445 PolarHBondContact O-N 3.34Å; W1441-G1446 WeakPolarHBondContact O-CA 3.28Å; W1441-G1446 PolarHBondContact O-N 3.05Å; W1441-K1447 CarbonylContact C-O 3.39Å; W1441-K1447 WeakPolarHBondContact CB-O 3.36Å; W1441-Q1449 PolarHBondContact N-O 3.07Å; W1441-I1451 HydrophobicContact CD2-CD1 4.13Å; W1441-I1451 HydrophobicContact CD2-CG1 3.89Å; W1441-I1451 HydrophobicContact CE3-CD1 4.38Å; W1441-I1451 HydrophobicContact CG-CD1 4.45Å; W1441-I1451 HydrophobicContact CG-CG1 3.88Å; W1441-I1451 HydrophobicContact CZ2-CG2 4.02Å; W1441-G1497 PolarHBondContact NE1-O 3.4Å; W1441-I1499 HydrophobicContact CH2-CD1 4.03Å; W1441-I1499 HydrophobicContact CZ2-CB 4.07Å; W1441-I1499 HydrophobicContact CZ2-CD1 4.43Å; W1441-L1514 HydrophobicContact CH2-CD1 4.36Å |
| 1442 | K | 87.7 | Confident | 90.8 | Very high | 121 Ų | 121 | 58.2 Ų | 58.2 | 53% | 0.526 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -58.6 | -31.8 | 172.7 | -174.3 | -176.4 | -170.2 | 173.6 | 0 | 113.5 | N1440 L1444 G1445 K1447 D1448 | N1440-K1442 PolarHBondContact O-N 2.74Å; N1440-K1442 WeakPolarHBondContact OD1-CB 3.48Å; N1440-K1442 PolarHBondContact OD1-N 2.91Å; K1442-L1444 PolarHBondContact O-N 2.67Å; K1442-G1445 PolarHBondContact O-N 2.71Å; K1442-G1445 VanDerWaalsContact O-N 3.11Å; K1442-K1447 PolarHBondContact N-O 3.13Å; K1442-D1448 HydrophobicContact CD-CB 4.17Å; K1442-D1448 WeakPolarHBondContact CE-OD2 3.33Å; K1442-D1448 IonicContact NZ-OD1 2.75Å; K1442-D1448 IonicContact NZ-OD2 2.68Å; K1442-D1448 PolarHBondContact NZ-OD2 2.87Å |
| 1443 | E | 92.9 | Very high | 90.8 | Very high | 109 Ų | 109 | 56.8 Ų | 56.8 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -62.9 | -22.6 | 175.4 | -58.4 | -180 | -102 | 0 | 0 | 111.8 | I1438 T1439 N1440 W1441 | I1438-E1443 HydrophobicContact CG2-CB 3.98Å; T1439-E1443 PolarHBondContact N-OE1 3.44Å; T1439-E1443 PolarHBondContact OG1-OE1 3.32Å; N1440-E1443 PolarHBondContact N-OE1 3.4Å; N1440-E1443 VanDerWaalsContact O-CB 3.27Å; N1440-E1443 WeakPolarHBondContact O-CB 3.48Å; N1440-E1443 VanDerWaalsContact O-CG 3.31Å; N1440-E1443 WeakPolarHBondContact O-CG 3.4Å; N1440-E1443 PolarHBondContact O-N 2.81Å; W1441-E1443 PolarHBondContact O-N 2.82Å |
| 1444 | L | 91 | Very high | 90.5 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -106.6 | 11 | 179.4 | -62.2 | 165.4 | 0 | 0 | 0 | 112.6 | V1422 I1425 N1429 I1433 I1438 W1441 K1442 G1446 I1451 | V1422-L1444 HydrophobicContact CG2-CB 4.27Å; I1425-L1444 HydrophobicContact CD1-CD1 3.76Å; I1425-L1444 HydrophobicContact CD1-CD2 4.05Å; I1425-L1444 HydrophobicContact CG1-CD2 4.27Å; N1429-L1444 HydrophobicContact CB-CD2 3.88Å; N1429-L1444 WeakPolarHBondContact ND2-CD2 3.42Å; I1433-L1444 HydrophobicContact CD1-CD1 3.71Å; I1433-L1444 HydrophobicContact CG1-CD1 4.09Å; I1438-L1444 HydrophobicContact CD1-CD2 4.02Å; I1438-L1444 HydrophobicContact CG2-CD1 4Å; I1438-L1444 HydrophobicContact CG2-CG 4.14Å; W1441-L1444 HydrophobicContact CE3-CD1 3.82Å; W1441-L1444 HydrophobicContact CZ3-CD1 3.82Å; W1441-L1444 CarbonylContact O-C 3.25Å; W1441-L1444 WeakPolarHBondContact O-CA 3.23Å; W1441-L1444 WeakPolarHBondContact O-CB 3.45Å; W1441-L1444 PolarHBondContact O-N 3.29Å; K1442-L1444 PolarHBondContact O-N 2.67Å; L1444-G1446 VanDerWaalsContact C-N 3.32Å; L1444-I1451 HydrophobicContact CD1-CD1 4.48Å |
| 1445 | G | 86.3 | Confident | 90.3 | Very high | 70 Ų | 70 | 56.9 Ų | 56.9 | 72% | 0.722 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 7.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | W1441 K1442 | W1441-G1445 PolarHBondContact O-N 3.34Å; K1442-G1445 PolarHBondContact O-N 2.71Å; K1442-G1445 VanDerWaalsContact O-N 3.11Å |
| 1446 | G | 89.8 | Confident | 90.1 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -77.5 | -164.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1422 W1441 L1444 | V1422-G1446 VanDerWaalsContact CG2-CA 3.49Å; W1441-G1446 WeakPolarHBondContact O-CA 3.28Å; W1441-G1446 PolarHBondContact O-N 3.05Å; L1444-G1446 VanDerWaalsContact C-N 3.32Å |
| 1447 | K | 83.9 | Confident | 89.5 | Confident | 121 Ų | 121 | 54.3 Ų | 54.3 | 53% | 0.526 | 29% | 0.292 | S | S | . | . | trans | -69.6 | 159.7 | 172.6 | -66.8 | -174.3 | -168.9 | 153.9 | 0 | 111.9 | G1419 V1420 W1441 K1442 Q1449 | G1419-K1447 WeakPolarHBondContact O-CD 3.18Å; G1419-K1447 WeakPolarHBondContact O-CE 3.34Å; G1419-K1447 PolarHBondContact O-NZ 2.68Å; V1420-K1447 PolarHBondContact O-N 3.09Å; W1441-K1447 CarbonylContact C-O 3.39Å; W1441-K1447 WeakPolarHBondContact CB-O 3.36Å; K1442-K1447 PolarHBondContact N-O 3.13Å; K1447-Q1449 VanDerWaalsContact C-N 3.32Å; K1447-Q1449 HydrophobicContact CB-CB 4.4Å; K1447-Q1449 PolarHBondContact O-N 3.05Å | ||
| 1448 | D | 90.1 | Very high | 88.4 | Confident | 109 Ų | 109 | 52.6 Ų | 52.6 | 58% | 0.583 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -70.8 | 89.5 | 169.1 | -153 | -13.9 | 0 | 0 | 0 | 109.3 | N1440 K1442 | N1440-D1448 PolarHBondContact ND2-OD1 3.22Å; K1442-D1448 HydrophobicContact CD-CB 4.17Å; K1442-D1448 WeakPolarHBondContact CE-OD2 3.33Å; K1442-D1448 IonicContact NZ-OD1 2.75Å; K1442-D1448 IonicContact NZ-OD2 2.68Å; K1442-D1448 PolarHBondContact NZ-OD2 2.87Å |
| 1449 | Q | 85.8 | Confident | 86.9 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | trans | -157.4 | 128.1 | -167.9 | -179.9 | 155.9 | 42.5 | 0 | 0 | 109.7 | N1440 W1441 K1447 P1496 | N1440-Q1449 CarbonylContact C-O 3.51Å; N1440-Q1449 WeakPolarHBondContact CA-O 3.39Å; N1440-Q1449 PolarHBondContact OD1-N 2.9Å; N1440-Q1449 VanDerWaalsContact OD1-N 3.07Å; N1440-Q1449 PolarHBondContact OD1-O 2.87Å; W1441-Q1449 PolarHBondContact N-O 3.07Å; K1447-Q1449 VanDerWaalsContact C-N 3.32Å; K1447-Q1449 HydrophobicContact CB-CB 4.4Å; K1447-Q1449 PolarHBondContact O-N 3.05Å; Q1449-P1496 PolarHBondContact NE2-O 3.02Å | ||
| 1450 | E | 88.2 | Confident | 85.7 | Confident | 147 Ų | 147 | 50.1 Ų | 50.1 | 69% | 0.687 | 29% | 0.287 | S | S | * | . | B | Isolated β-bridge | trans | -61.4 | 144.3 | 175.7 | -171 | 169.1 | -162.9 | 0 | 0 | 111.5 | ||
| 1451 | I | 94.2 | Very high | 84.7 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 8% | 0.077 | 28% | 0.279 | C | S | . | . | trans | -90.1 | 107.1 | 179.9 | -52.5 | 179.6 | 0 | 0 | 0 | 109.4 | I1433 I1438 T1439 W1441 L1444 I1453 I1499 | I1433-I1451 HydrophobicContact CD1-CD1 4.32Å; I1433-I1451 HydrophobicContact CG1-CD1 4.01Å; I1433-I1451 HydrophobicContact CG2-CD1 4.37Å; I1433-I1451 HydrophobicContact CG2-CG2 3.75Å; I1438-I1451 HydrophobicContact CG2-CD1 3.87Å; T1439-I1451 PolarHBondContact O-N 3.31Å; W1441-I1451 HydrophobicContact CD2-CD1 4.13Å; W1441-I1451 HydrophobicContact CD2-CG1 3.89Å; W1441-I1451 HydrophobicContact CE3-CD1 4.38Å; W1441-I1451 HydrophobicContact CG-CD1 4.45Å; W1441-I1451 HydrophobicContact CG-CG1 3.88Å; W1441-I1451 HydrophobicContact CZ2-CG2 4.02Å; L1444-I1451 HydrophobicContact CD1-CD1 4.48Å; I1451-I1453 HydrophobicContact CG2-CG1 4.1Å; I1451-I1453 PolarHBondContact O-N 3.37Å; I1451-I1499 HydrophobicContact CG2-CB 4.41Å; I1451-I1499 HydrophobicContact CG2-CG2 3.54Å | ||
| 1452 | V | 90.7 | Very high | 84 | Confident | 54 Ų | 54 | 49.2 Ų | 49.2 | 33% | 0.327 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 101.5 | 176.8 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | T1495 G1497 A1498 I1499 | V1452-T1495 HydrophobicContact CB-CG2 4.32Å; V1452-T1495 HydrophobicContact CG1-CG2 4.2Å; V1452-T1495 HydrophobicContact CG2-CG2 4.36Å; V1452-G1497 PolarHBondContact N-O 3.28Å; V1452-G1497 VanDerWaalsContact N-O 3.13Å; V1452-A1498 HydrophobicContact CB-CB 4.19Å; V1452-A1498 CarbonylContact O-C 3.6Å; V1452-A1498 WeakPolarHBondContact O-CA 3.31Å; V1452-I1499 PolarHBondContact O-N 3.31Å |
| 1453 | I | 93.3 | Very high | 83.8 | Confident | 21 Ų | 21 | 43.9 Ų | 43.9 | 11% | 0.108 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 132.1 | -177.6 | -60.8 | 167.4 | 0 | 0 | 0 | 110.1 | I1433 F1434 I1451 I1477 A1479 Q1480 I1499 | I1433-I1453 HydrophobicContact CG2-CD1 3.98Å; I1433-I1453 HydrophobicContact CG2-CG1 4.05Å; I1433-I1453 WeakPolarHBondContact O-CD1 3.47Å; F1434-I1453 HydrophobicContact CD1-CG2 3.71Å; F1434-I1453 HydrophobicContact CE1-CG2 3.61Å; F1434-I1453 HydrophobicContact CZ-CG2 4.49Å; I1451-I1453 HydrophobicContact CG2-CG1 4.1Å; I1451-I1453 PolarHBondContact O-N 3.37Å; I1453-I1477 HydrophobicContact CD1-CG2 3.51Å; I1453-I1477 HydrophobicContact CG2-CG2 4.36Å; I1453-A1479 HydrophobicContact CB-CB 3.87Å; I1453-A1479 HydrophobicContact CG2-CB 3.69Å; I1453-A1479 WeakPolarHBondContact O-CB 3.31Å; I1453-Q1480 PolarHBondContact O-N 2.84Å; I1453-I1499 HydrophobicContact CB-CG2 4.39Å; I1453-I1499 HydrophobicContact CG1-CG2 3.88Å |
| 1454 | L | 88.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 104.8 | 173.2 | -179 | 71.6 | 0 | 0 | 0 | 107.8 | Q1480 Q1482 V1488 I1491 V1492 I1499 S1500 | L1454-Q1480 CarbonylContact C-O 3.55Å; L1454-Q1480 WeakPolarHBondContact CA-O 3.43Å; L1454-Q1480 HydrophobicContact CD1-CB 3.63Å; L1454-Q1480 HydrophobicContact CD1-CG 3.63Å; L1454-Q1482 HydrophobicContact CD1-CG 4.07Å; L1454-V1488 HydrophobicContact CD2-CB 4.43Å; L1454-V1488 HydrophobicContact CD2-CG1 4.4Å; L1454-I1491 HydrophobicContact CD1-CG2 4.43Å; L1454-I1491 HydrophobicContact CD2-CB 3.85Å; L1454-I1491 HydrophobicContact CD2-CD1 4.48Å; L1454-I1491 HydrophobicContact CD2-CG2 3.77Å; L1454-V1492 HydrophobicContact CD2-CG2 3.96Å; L1454-I1499 PolarHBondContact N-O 3.32Å; L1454-S1500 VanDerWaalsContact O-CA 3.26Å; L1454-S1500 WeakPolarHBondContact O-CA 3.33Å; L1454-S1500 WeakPolarHBondContact O-CB 3.4Å; L1454-S1500 PolarHBondContact O-OG 2.93Å |
| 1455 | N | 91 | Very high | 82.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 171.2 | 175.1 | -73 | -19.6 | 0 | 0 | 0 | 111 | F1434 A1476 I1477 Q1480 E1481 Q1482 | F1434-N1455 WeakPolarHBondContact CD1-OD1 3.42Å; N1455-A1476 WeakPolarHBondContact OD1-CB 3.48Å; N1455-I1477 PolarHBondContact ND2-O 2.88Å; N1455-Q1480 PolarHBondContact N-O 2.76Å; N1455-E1481 HydrophobicContact CB-CB 4.48Å; N1455-E1481 HydrophobicContact CB-CG 3.35Å; N1455-E1481 WeakPolarHBondContact O-CA 3.34Å; N1455-Q1482 PolarHBondContact O-N 2.95Å |
| 1456 | R | 87.9 | Confident | 82.7 | Confident | 5 Ų | 5 | 36.1 Ų | 36.1 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 156.6 | 164.3 | -63.8 | -62.7 | -61.8 | -93.5 | 1.6 | 110.4 | T1462 R1463 E1481 Q1482 D1483 S1485 V1488 Y1501 T1502 | R1456-T1462 PolarHBondContact NH1-OG1 3.07Å; R1456-R1463 HydrophobicContact CB-CB 4.04Å; R1456-R1463 WeakPolarHBondContact O-CD 3.45Å; R1456-R1463 PolarHBondContact O-NH1 3.23Å; R1456-E1481 WeakPolarHBondContact O-CG 3.24Å; R1456-Q1482 PolarHBondContact NE-O 2.98Å; R1456-D1483 PolarHBondContact NH2-O 3.38Å; R1456-S1485 PolarHBondContact NH1-OG 3.35Å; R1456-S1485 PolarHBondContact NH2-OG 2.8Å; R1456-V1488 VanDerWaalsContact CD-CG2 3.41Å; R1456-Y1501 HydrophobicContact CB-CD2 4.48Å; R1456-Y1501 HydrophobicContact CB-CE2 3.62Å; R1456-Y1501 HydrophobicContact CG-CD2 3.65Å; R1456-Y1501 HydrophobicContact CG-CE2 3.26Å; R1456-Y1501 PolarHBondContact N-OH 3.26Å; R1456-T1502 PolarHBondContact NH1-OG1 2.87Å |
| 1457 | A | 72.6 | Confident | 82.6 | Confident | 12 Ų | 12 | 36.3 Ų | 36.3 | 10% | 0.099 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -53 | 140.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | G1459 S1460 E1481 Q1482 D1483 | A1457-G1459 PolarHBondContact O-N 3.11Å; A1457-S1460 WeakPolarHBondContact O-CB 3.18Å; A1457-S1460 PolarHBondContact O-N 2.89Å; A1457-E1481 VanDerWaalsContact CA-OE2 3.27Å; A1457-E1481 WeakPolarHBondContact CA-OE2 3.41Å; A1457-Q1482 PolarHBondContact N-O 2.92Å; A1457-D1483 HydrophobicContact CB-CB 4.44Å; A1457-D1483 WeakPolarHBondContact CB-OD1 3.32Å |
| 1458 | S | 67.9 | Low | 82.5 | Confident | 83 Ų | 83 | 32.6 Ų | 32.6 | 58% | 0.58 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -15.4 | 178.7 | 59.8 | 0 | 0 | 0 | 0 | 115.8 | E1481 | S1458-E1481 PolarHBondContact N-OE2 2.81Å; S1458-E1481 VanDerWaalsContact N-OE2 3.14Å |
| 1459 | G | 62.1 | Low | 82.2 | Confident | 40 Ų | 40 | 29.8 Ų | 29.8 | 41% | 0.412 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -0.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | A1457 | A1457-G1459 PolarHBondContact O-N 3.11Š|
| 1460 | S | 67.1 | Low | 82.3 | Confident | 11 Ų | 11 | 27.7 Ų | 27.7 | 8% | 0.077 | 16% | 0.161 | C | C | . | . | trans | -88.9 | 132.9 | -176.6 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | A1457 T1462 R1463 S1464 | A1457-S1460 WeakPolarHBondContact O-CB 3.18Å; A1457-S1460 PolarHBondContact O-N 2.89Å; S1460-T1462 PolarHBondContact O-N 2.81Å; S1460-T1462 PolarHBondContact OG-N 2.99Å; S1460-T1462 PolarHBondContact OG-OG1 3.5Å; S1460-R1463 WeakPolarHBondContact O-CA 3.47Å; S1460-R1463 VanDerWaalsContact O-CB 3.29Å; S1460-R1463 WeakPolarHBondContact O-CB 3.41Å; S1460-R1463 PolarHBondContact O-N 2.85Å; S1460-S1464 PolarHBondContact O-N 2.9Å | ||
| 1461 | G | 72.3 | Confident | 82.3 | Confident | 3 Ų | 3 | 20.7 Ų | 20.7 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.6 | -29.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1388 R1463 S1464 T1465 | D1388-G1461 WeakPolarHBondContact O-CA 3.47Å; D1388-G1461 WeakPolarHBondContact OD2-CA 3.43Å; D1388-G1461 PolarHBondContact OD2-N 2.96Å; G1461-R1463 PolarHBondContact O-N 3.04Å; G1461-S1464 PolarHBondContact O-N 2.69Å; G1461-T1465 WeakPolarHBondContact O-CB 3.32Å; G1461-T1465 PolarHBondContact O-N 3.38Å; G1461-T1465 PolarHBondContact O-OG1 3.01Å |
| 1462 | T | 80.1 | Confident | 81.6 | Confident | 15 Ų | 15 | 24.7 Ų | 24.7 | 9% | 0.092 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.5 | -26.9 | 173 | 64.9 | 0 | 0 | 0 | 0 | 113 | I1412 R1456 S1460 F1466 Y1501 | I1412-T1462 HydrophobicContact CD1-CG2 4.16Å; I1412-T1462 HydrophobicContact CG1-CG2 4.27Å; R1456-T1462 PolarHBondContact NH1-OG1 3.07Å; S1460-T1462 PolarHBondContact O-N 2.81Å; S1460-T1462 PolarHBondContact OG-N 2.99Å; S1460-T1462 PolarHBondContact OG-OG1 3.5Å; T1462-F1466 WeakPolarHBondContact O-CB 3.36Å; T1462-F1466 PolarHBondContact O-N 2.87Å; T1462-Y1501 WeakPolarHBondContact O-CE2 3.39Å |
| 1463 | R | 84.4 | Confident | 80.7 | Confident | 10 Ų | 10 | 24.8 Ų | 24.8 | 4% | 0.038 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -75.8 | -52.2 | 170.3 | 177.3 | 156.2 | 167.3 | 175.6 | 16.2 | 111.9 | R1456 S1460 G1461 T1465 F1466 E1467 E1481 Y1501 | R1456-R1463 HydrophobicContact CB-CB 4.04Å; R1456-R1463 WeakPolarHBondContact O-CD 3.45Å; R1456-R1463 PolarHBondContact O-NH1 3.23Å; S1460-R1463 WeakPolarHBondContact O-CA 3.47Å; S1460-R1463 VanDerWaalsContact O-CB 3.29Å; S1460-R1463 WeakPolarHBondContact O-CB 3.41Å; S1460-R1463 PolarHBondContact O-N 2.85Å; G1461-R1463 PolarHBondContact O-N 3.04Å; R1463-T1465 PolarHBondContact O-N 3.35Å; R1463-F1466 PolarHBondContact O-N 3.42Å; R1463-E1467 HydrophobicContact CG-CG 3.95Å; R1463-E1467 WeakPolarHBondContact CG-OE2 3.39Å; R1463-E1467 IonicContact CZ-OE1 3.99Å; R1463-E1467 IonicContact CZ-OE2 3.93Å; R1463-E1467 IonicContact NE-OE1 2.63Å; R1463-E1467 PolarHBondContact NE-OE1 3.27Å; R1463-E1467 IonicContact NE-OE2 3.14Å; R1463-E1467 PolarHBondContact NE-OE2 3.42Å; R1463-E1467 IonicContact NH2-OE1 2.95Å; R1463-E1467 PolarHBondContact NH2-OE1 3.29Å; R1463-E1467 IonicContact NH2-OE2 3.73Å; R1463-E1467 PolarHBondContact O-N 3.33Å; R1463-E1481 IonicContact CZ-OE1 2.78Å; R1463-E1481 IonicContact NH1-OE1 2.78Å; R1463-E1481 PolarHBondContact NH1-OE1 2.83Å; R1463-E1481 IonicContact NH1-OE2 2.74Å; R1463-E1481 PolarHBondContact NH1-OE2 2.97Å; R1463-E1481 IonicContact NH2-OE1 3.74Å; R1463-Y1501 HydrophobicContact CB-CE2 4.37Å |
| 1464 | S | 77.3 | Confident | 80.1 | Confident | 40 Ų | 40 | 29 Ų | 29 | 28% | 0.28 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -53.9 | -45.6 | 179.9 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | S1460 G1461 F1466 Q1468 | S1460-S1464 PolarHBondContact O-N 2.9Å; G1461-S1464 PolarHBondContact O-N 2.69Å; S1464-F1466 PolarHBondContact O-N 2.82Å; S1464-Q1468 WeakPolarHBondContact O-CB 3.31Å; S1464-Q1468 PolarHBondContact O-N 3.24Å |
| 1465 | T | 81.4 | Confident | 79.7 | Confident | 8 Ų | 8 | 32.7 Ų | 32.7 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -38.5 | 175.7 | -45.3 | 0 | 0 | 0 | 0 | 112.7 | I1412 G1461 R1463 W1469 I1533 W1534 A1535 | I1412-T1465 HydrophobicContact CD1-CG2 3.8Å; G1461-T1465 WeakPolarHBondContact O-CB 3.32Å; G1461-T1465 PolarHBondContact O-N 3.38Å; G1461-T1465 PolarHBondContact O-OG1 3.01Å; R1463-T1465 PolarHBondContact O-N 3.35Å; T1465-W1469 WeakPolarHBondContact O-CB 3.21Å; T1465-W1469 VanDerWaalsContact O-CD1 3.29Å; T1465-W1469 PolarHBondContact O-N 3.25Å; T1465-I1533 HydrophobicContact CG2-CG2 4.38Å; T1465-W1534 WeakPolarHBondContact CG2-O 3.42Å; T1465-A1535 HydrophobicContact CG2-CB 4.07Å; T1465-A1535 WeakPolarHBondContact OG1-CB 3.36Å |
| 1466 | F | 88.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.5 | -46.3 | -179.5 | -169.4 | -85 | 0 | 0 | 0 | 112.1 | L1430 F1434 T1462 R1463 S1464 Q1468 V1470 L1471 Y1501 I1533 | L1430-F1466 HydrophobicContact CD1-CZ 4.47Å; L1430-F1466 HydrophobicContact CD2-CE2 4.22Å; L1430-F1466 HydrophobicContact CD2-CZ 4.14Å; L1430-F1466 HydrophobicContact CG-CZ 4.19Å; F1434-F1466 HydrophobicContact CB-CE1 4.23Å; F1434-F1466 HydrophobicContact CD1-CE1 4.06Å; F1434-F1466 AromaticContact CD2-CE1 3.63Å; F1434-F1466 HydrophobicContact CD2-CE1 3.63Å; F1434-F1466 AromaticContact CD2-CZ 3.55Å; F1434-F1466 HydrophobicContact CD2-CZ 3.55Å; F1434-F1466 HydrophobicContact CE1-CE1 4.34Å; F1434-F1466 AromaticContact CE2-CE1 3.94Å; F1434-F1466 HydrophobicContact CE2-CE1 3.94Å; F1434-F1466 AromaticContact CE2-CZ 3.51Å; F1434-F1466 HydrophobicContact CE2-CZ 3.51Å; F1434-F1466 AromaticContact CG-CE1 3.7Å; F1434-F1466 HydrophobicContact CG-CE1 3.7Å; F1434-F1466 HydrophobicContact CG-CZ 4.11Å; F1434-F1466 HydrophobicContact CZ-CE1 4.29Å; F1434-F1466 HydrophobicContact CZ-CZ 4.06Å; T1462-F1466 WeakPolarHBondContact O-CB 3.36Å; T1462-F1466 PolarHBondContact O-N 2.87Å; R1463-F1466 PolarHBondContact O-N 3.42Å; S1464-F1466 PolarHBondContact O-N 2.82Å; F1466-Q1468 VanDerWaalsContact C-N 3.31Å; F1466-Q1468 PolarHBondContact O-N 3.27Å; F1466-V1470 HydrophobicContact CD1-CB 4.23Å; F1466-V1470 HydrophobicContact CD1-CG2 4.27Å; F1466-V1470 HydrophobicContact CD2-CG2 3.76Å; F1466-V1470 HydrophobicContact CE1-CB 4.05Å; F1466-V1470 HydrophobicContact CE1-CG1 4.14Å; F1466-V1470 HydrophobicContact CE1-CG2 4.23Å; F1466-V1470 HydrophobicContact CE2-CB 4.4Å; F1466-V1470 HydrophobicContact CE2-CG2 3.73Å; F1466-V1470 HydrophobicContact CG-CB 4.48Å; F1466-V1470 HydrophobicContact CG-CG2 4.04Å; F1466-V1470 HydrophobicContact CZ-CB 4.14Å; F1466-V1470 HydrophobicContact CZ-CG1 3.99Å; F1466-V1470 HydrophobicContact CZ-CG2 3.97Å; F1466-V1470 WeakPolarHBondContact O-CA 3.19Å; F1466-V1470 WeakPolarHBondContact O-CB 3.39Å; F1466-V1470 WeakPolarHBondContact O-CG2 3.44Å; F1466-V1470 PolarHBondContact O-N 2.89Å; F1466-L1471 HydrophobicContact CE1-CD2 4.46Å; F1466-Y1501 HydrophobicContact CB-CD1 4.36Å; F1466-Y1501 HydrophobicContact CB-CD2 3.79Å; F1466-Y1501 HydrophobicContact CB-CE1 4.31Å; F1466-Y1501 HydrophobicContact CB-CE2 3.73Å; F1466-Y1501 HydrophobicContact CB-CG 4.13Å; F1466-Y1501 AromaticContact CD1-CD1 3.64Å; F1466-Y1501 HydrophobicContact CD1-CD1 3.64Å; F1466-Y1501 AromaticContact CD1-CE1 3.52Å; F1466-Y1501 HydrophobicContact CD1-CE1 3.52Å; F1466-Y1501 HydrophobicContact CD1-CE2 4.48Å; F1466-Y1501 HydrophobicContact CD1-CG 4.2Å; F1466-Y1501 AromaticContact CD1-CZ 3.99Å; F1466-Y1501 AromaticContact CD2-CD1 3.58Å; F1466-Y1501 HydrophobicContact CD2-CD1 3.58Å; F1466-Y1501 AromaticContact CD2-CD2 3.91Å; F1466-Y1501 HydrophobicContact CD2-CD2 3.91Å; F1466-Y1501 HydrophobicContact CD2-CE1 4.26Å; F1466-Y1501 AromaticContact CD2-CG 3.39Å; F1466-Y1501 HydrophobicContact CD2-CG 3.39Å; F1466-Y1501 AromaticContact CE1-CD1 3.7Å; F1466-Y1501 HydrophobicContact CE1-CD1 3.7Å; F1466-Y1501 AromaticContact CE1-CE1 3.81Å; F1466-Y1501 HydrophobicContact CE1-CE1 3.81Å; F1466-Y1501 AromaticContact CE2-CD1 3.64Å; F1466-Y1501 HydrophobicContact CE2-CD1 3.64Å; F1466-Y1501 HydrophobicContact CE2-CE1 4.5Å; F1466-Y1501 AromaticContact CE2-CG 3.75Å; F1466-Y1501 HydrophobicContact CE2-CG 3.75Å; F1466-Y1501 AromaticContact CG-CD1 3.58Å; F1466-Y1501 HydrophobicContact CG-CD1 3.58Å; F1466-Y1501 AromaticContact CG-CD2 3.85Å; F1466-Y1501 HydrophobicContact CG-CD2 3.85Å; F1466-Y1501 AromaticContact CG-CE1 3.77Å; F1466-Y1501 HydrophobicContact CG-CE1 3.77Å; F1466-Y1501 HydrophobicContact CG-CE2 4.02Å; F1466-Y1501 AromaticContact CG-CG 3.64Å; F1466-Y1501 HydrophobicContact CG-CG 3.64Å; F1466-Y1501 AromaticContact CG-CZ 4Å; F1466-Y1501 AromaticContact CZ-CD1 3.7Å; F1466-Y1501 HydrophobicContact CZ-CD1 3.7Å; F1466-Y1501 HydrophobicContact CZ-CE1 4.3Å; F1466-Y1501 HydrophobicContact CZ-CG 4.3Å; F1466-I1533 HydrophobicContact CD2-CG2 4.47Å |
| 1467 | E | 87.4 | Confident | 79.2 | Confident | 23 Ų | 23 | 35 Ų | 35 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -36.8 | 176.9 | -67.5 | -173.9 | 142.5 | 0 | 0 | 111.1 | R1463 L1471 D1472 G1473 T1475 A1476 | R1463-E1467 HydrophobicContact CG-CG 3.95Å; R1463-E1467 WeakPolarHBondContact CG-OE2 3.39Å; R1463-E1467 IonicContact CZ-OE1 3.99Å; R1463-E1467 IonicContact CZ-OE2 3.93Å; R1463-E1467 IonicContact NE-OE1 2.63Å; R1463-E1467 PolarHBondContact NE-OE1 3.27Å; R1463-E1467 IonicContact NE-OE2 3.14Å; R1463-E1467 PolarHBondContact NE-OE2 3.42Å; R1463-E1467 IonicContact NH2-OE1 2.95Å; R1463-E1467 PolarHBondContact NH2-OE1 3.29Å; R1463-E1467 IonicContact NH2-OE2 3.73Å; R1463-E1467 PolarHBondContact O-N 3.33Å; E1467-L1471 HydrophobicContact CG-CD1 4.15Å; E1467-L1471 CarbonylContact O-C 3.28Å; E1467-L1471 WeakPolarHBondContact O-CA 3.49Å; E1467-L1471 WeakPolarHBondContact O-CB 2.96Å; E1467-L1471 PolarHBondContact O-N 2.96Å; E1467-D1472 PolarHBondContact O-N 3.4Å; E1467-G1473 WeakPolarHBondContact O-CA 3.34Å; E1467-G1473 PolarHBondContact O-N 3.3Å; E1467-T1475 VanDerWaalsContact OE1-CA 3.24Å; E1467-T1475 WeakPolarHBondContact OE1-CA 3.37Å; E1467-A1476 PolarHBondContact OE1-N 2.85Å |
| 1468 | Q | 81.4 | Confident | 79.3 | Confident | 43 Ų | 43 | 39.1 Ų | 39.1 | 20% | 0.201 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65 | -64.7 | 171 | -173.8 | 178.5 | 44.2 | 0 | 0 | 112.2 | S1464 F1466 V1470 D1472 G1473 E1585 | S1464-Q1468 WeakPolarHBondContact O-CB 3.31Å; S1464-Q1468 PolarHBondContact O-N 3.24Å; F1466-Q1468 VanDerWaalsContact C-N 3.31Å; F1466-Q1468 PolarHBondContact O-N 3.27Å; Q1468-V1470 PolarHBondContact O-N 3.04Å; Q1468-D1472 PolarHBondContact O-N 2.86Å; Q1468-G1473 PolarHBondContact O-N 3.48Å; Q1468-E1585 WeakPolarHBondContact CG-OE1 3.47Å; Q1468-E1585 PolarHBondContact NE2-OE1 2.75Å |
| 1469 | W | 84.3 | Confident | 80 | Confident | 51 Ų | 51 | 35.7 Ų | 35.7 | 19% | 0.193 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -83.6 | -12 | -166.7 | -67.9 | 88.7 | 0 | 0 | 0 | 115.4 | T1465 R1581 E1585 | T1465-W1469 WeakPolarHBondContact O-CB 3.21Å; T1465-W1469 VanDerWaalsContact O-CD1 3.29Å; T1465-W1469 PolarHBondContact O-N 3.25Å; W1469-R1581 VanDerWaalsContact CE2-NH1 3.28Å; W1469-E1585 HydrophobicContact CH2-CB 4.41Å; W1469-E1585 HydrophobicContact CZ2-CB 4.45Å |
| 1470 | V | 87.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -42.2 | 174.8 | -170.8 | 0 | 0 | 0 | 0 | 111.5 | L1427 L1430 R1431 F1466 Q1468 I1533 | L1427-V1470 HydrophobicContact CD1-CB 4.34Å; L1427-V1470 HydrophobicContact CD1-CG1 3.99Å; L1427-V1470 HydrophobicContact CD1-CG2 4.17Å; L1430-V1470 HydrophobicContact CB-CG1 4.36Å; L1430-V1470 HydrophobicContact CD2-CG1 3.85Å; L1430-V1470 HydrophobicContact CD2-CG2 4.46Å; L1430-V1470 HydrophobicContact CG-CG1 3.93Å; R1431-V1470 HydrophobicContact CB-CG1 4.37Å; R1431-V1470 PolarHBondContact NE-O 2.84Å; R1431-V1470 PolarHBondContact NH2-O 2.64Å; R1431-V1470 VanDerWaalsContact NH2-O 3.16Å; F1466-V1470 HydrophobicContact CD1-CB 4.23Å; F1466-V1470 HydrophobicContact CD1-CG2 4.27Å; F1466-V1470 HydrophobicContact CD2-CG2 3.76Å; F1466-V1470 HydrophobicContact CE1-CB 4.05Å; F1466-V1470 HydrophobicContact CE1-CG1 4.14Å; F1466-V1470 HydrophobicContact CE1-CG2 4.23Å; F1466-V1470 HydrophobicContact CE2-CB 4.4Å; F1466-V1470 HydrophobicContact CE2-CG2 3.73Å; F1466-V1470 HydrophobicContact CG-CB 4.48Å; F1466-V1470 HydrophobicContact CG-CG2 4.04Å; F1466-V1470 HydrophobicContact CZ-CB 4.14Å; F1466-V1470 HydrophobicContact CZ-CG1 3.99Å; F1466-V1470 HydrophobicContact CZ-CG2 3.97Å; F1466-V1470 WeakPolarHBondContact O-CA 3.19Å; F1466-V1470 WeakPolarHBondContact O-CB 3.39Å; F1466-V1470 WeakPolarHBondContact O-CG2 3.44Å; F1466-V1470 PolarHBondContact O-N 2.89Å; Q1468-V1470 PolarHBondContact O-N 3.04Å; V1470-I1533 HydrophobicContact CG2-CD1 3.45Å; V1470-I1533 VanDerWaalsContact CG2-CD1 3.45Å; V1470-I1533 HydrophobicContact CG2-CG1 3.96Å; V1470-I1533 HydrophobicContact CG2-CG2 4.45Å |
| 1471 | L | 88.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 7.7 | -170.7 | -46.4 | -174 | 0 | 0 | 0 | 114.4 | R1431 F1434 F1466 E1467 G1473 K1474 A1476 | R1431-L1471 HydrophobicContact CB-CD2 4.02Å; R1431-L1471 HydrophobicContact CG-CD2 3.98Å; F1434-L1471 HydrophobicContact CB-CD1 4.12Å; F1434-L1471 HydrophobicContact CB-CD2 3.87Å; F1466-L1471 HydrophobicContact CE1-CD2 4.46Å; E1467-L1471 HydrophobicContact CG-CD1 4.15Å; E1467-L1471 CarbonylContact O-C 3.28Å; E1467-L1471 WeakPolarHBondContact O-CA 3.49Å; E1467-L1471 WeakPolarHBondContact O-CB 2.96Å; E1467-L1471 PolarHBondContact O-N 2.96Å; L1471-G1473 VanDerWaalsContact C-N 3.32Å; L1471-G1473 PolarHBondContact O-N 3.3Å; L1471-K1474 HydrophobicContact CB-CB 4.19Å; L1471-K1474 VanDerWaalsContact CB-O 3.26Å; L1471-K1474 WeakPolarHBondContact CB-O 3.32Å; L1471-K1474 WeakPolarHBondContact CD1-O 3.42Å; L1471-K1474 VanDerWaalsContact O-CB 3.31Å; L1471-K1474 WeakPolarHBondContact O-CB 3.25Å; L1471-K1474 WeakPolarHBondContact O-CD 3.5Å; L1471-K1474 VanDerWaalsContact O-CG 3.3Å; L1471-K1474 WeakPolarHBondContact O-CG 3.41Å; L1471-K1474 PolarHBondContact O-N 3.29Å; L1471-A1476 HydrophobicContact CD1-CB 3.88Å |
| 1472 | D | 78.3 | Confident | 81.6 | Confident | 98 Ų | 98 | 37.3 Ų | 37.3 | 52% | 0.524 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 44.6 | -175.1 | -50.8 | -37.9 | 0 | 0 | 0 | 112 | R1431 E1467 Q1468 K1474 | R1431-D1472 IonicContact CZ-OD1 2.9Å; R1431-D1472 IonicContact CZ-OD2 3.72Å; R1431-D1472 IonicContact NE-OD2 3.37Å; R1431-D1472 IonicContact NH1-OD2 2.89Å; R1431-D1472 PolarHBondContact NH1-OD2 3.24Å; R1431-D1472 IonicContact NH2-OD1 2.61Å; R1431-D1472 PolarHBondContact NH2-OD1 2.81Å; R1431-D1472 IonicContact NH2-OD2 3.72Å; R1431-D1472 PolarHBondContact NH2-OD2 3.19Å; E1467-D1472 PolarHBondContact O-N 3.4Å; Q1468-D1472 PolarHBondContact O-N 2.86Å; D1472-K1474 VanDerWaalsContact C-N 3.27Å; D1472-K1474 PolarHBondContact O-N 2.93Å |
| 1473 | G | 73.2 | Confident | 80.9 | Confident | 57 Ų | 57 | 42.1 Ų | 42.1 | 59% | 0.588 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 4.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E1467 Q1468 L1471 | E1467-G1473 WeakPolarHBondContact O-CA 3.34Å; E1467-G1473 PolarHBondContact O-N 3.3Å; Q1468-G1473 PolarHBondContact O-N 3.48Å; L1471-G1473 VanDerWaalsContact C-N 3.32Å; L1471-G1473 PolarHBondContact O-N 3.3Å |
| 1474 | K | 81 | Confident | 80.4 | Confident | 109 Ų | 109 | 44.4 Ų | 44.4 | 47% | 0.474 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -81.9 | 144.5 | 175.4 | -59.8 | 167.4 | -170.2 | 156.3 | 0 | 110.9 | L1435 L1471 D1472 | L1435-K1474 HydrophobicContact CD1-CD 4.41Å; L1435-K1474 HydrophobicContact CD2-CB 4.23Å; L1435-K1474 HydrophobicContact CD2-CD 4.43Å; L1471-K1474 HydrophobicContact CB-CB 4.19Å; L1471-K1474 VanDerWaalsContact CB-O 3.26Å; L1471-K1474 WeakPolarHBondContact CB-O 3.32Å; L1471-K1474 WeakPolarHBondContact CD1-O 3.42Å; L1471-K1474 VanDerWaalsContact O-CB 3.31Å; L1471-K1474 WeakPolarHBondContact O-CB 3.25Å; L1471-K1474 WeakPolarHBondContact O-CD 3.5Å; L1471-K1474 VanDerWaalsContact O-CG 3.3Å; L1471-K1474 WeakPolarHBondContact O-CG 3.41Å; L1471-K1474 PolarHBondContact O-N 3.29Å; D1472-K1474 VanDerWaalsContact C-N 3.27Å; D1472-K1474 PolarHBondContact O-N 2.93Å |
| 1475 | T | 78.7 | Confident | 80.3 | Confident | 78 Ų | 78 | 42.9 Ų | 42.9 | 48% | 0.479 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -74 | 143.1 | 173.7 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | E1467 | E1467-T1475 VanDerWaalsContact OE1-CA 3.24Å; E1467-T1475 WeakPolarHBondContact OE1-CA 3.37Å |
| 1476 | A | 83.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 167.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | F1434 N1455 E1467 L1471 R2181 | F1434-A1476 HydrophobicContact CB-CB 4.42Å; F1434-A1476 HydrophobicContact CD1-CB 4.29Å; F1434-A1476 CarbonylContact O-C 3.57Å; F1434-A1476 WeakPolarHBondContact O-CA 3.27Å; N1455-A1476 WeakPolarHBondContact OD1-CB 3.48Å; E1467-A1476 PolarHBondContact OE1-N 2.85Å; L1471-A1476 HydrophobicContact CD1-CB 3.88Å; A1476-R2181 WeakPolarHBondContact O-CD 3.42Å; A1476-R2181 PolarHBondContact O-NE 3.2Å; A1476-R2181 PolarHBondContact O-NH2 3.03Å; A1476-R2181 VanDerWaalsContact O-NH2 3.16Å |
| 1477 | I | 85.4 | Confident | 79.3 | Confident | 55 Ų | 55 | 47.9 Ų | 47.9 | 28% | 0.282 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 163.6 | -176.4 | -170.4 | 158.7 | 0 | 0 | 0 | 114.5 | F1434 I1453 N1455 A1479 R2181 | F1434-I1477 WeakPolarHBondContact O-CG2 3.49Å; F1434-I1477 PolarHBondContact O-N 3.34Å; I1453-I1477 HydrophobicContact CD1-CG2 3.51Å; I1453-I1477 HydrophobicContact CG2-CG2 4.36Å; N1455-I1477 PolarHBondContact ND2-O 2.88Å; I1477-A1479 HydrophobicContact CG2-CB 4.36Å; I1477-A1479 PolarHBondContact O-N 2.87Å; I1477-R2181 WeakPolarHBondContact O-CD 3.47Å |
| 1478 | R | 75.4 | Confident | 79.2 | Confident | 98 Ų | 98 | 46.8 Ų | 46.8 | 37% | 0.37 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -72.3 | 91.9 | -178.5 | -55 | -144.5 | 110.4 | 125.7 | 10 | 108 | R2181 P2182 E2188 | R1478-R2181 HydrophobicContact CB-CB 3.78Å; R1478-R2181 HydrophobicContact CB-CG 4.39Å; R1478-R2181 WeakPolarHBondContact CD-O 3.35Å; R1478-R2181 HydrophobicContact CG-CB 3.68Å; R1478-R2181 HydrophobicContact CG-CG 3.86Å; R1478-R2181 VanDerWaalsContact NE-CB 3.3Å; R1478-R2181 PolarHBondContact NE-O 2.96Å; R1478-P2182 PolarHBondContact NE-O 2.91Å; R1478-P2182 PolarHBondContact NH1-O 2.9Å; R1478-P2182 VanDerWaalsContact NH1-O 3.16Å; R1478-P2182 PolarHBondContact NH2-O 3.34Å; R1478-E2188 IonicContact CZ-OE2 4Å; R1478-E2188 IonicContact NH2-OE2 3.11Å; R1478-E2188 PolarHBondContact NH2-OE2 2.88Å |
| 1479 | A | 81.2 | Confident | 79.6 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | trans | -135.3 | 172.1 | -168 | 0 | 0 | 0 | 0 | 0 | 110.2 | I1453 I1477 T2180 | I1453-A1479 HydrophobicContact CB-CB 3.87Å; I1453-A1479 HydrophobicContact CG2-CB 3.69Å; I1453-A1479 WeakPolarHBondContact O-CB 3.31Å; I1477-A1479 HydrophobicContact CG2-CB 4.36Å; I1477-A1479 PolarHBondContact O-N 2.87Å; A1479-T2180 PolarHBondContact O-OG1 3.24Å | ||
| 1480 | Q | 79.1 | Confident | 79.6 | Confident | 50 Ų | 50 | 50.5 Ų | 50.5 | 23% | 0.234 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 136.7 | 179.8 | -165.1 | -178.3 | 9.4 | 0 | 0 | 109.9 | I1453 L1454 N1455 A2176 | I1453-Q1480 PolarHBondContact O-N 2.84Å; L1454-Q1480 CarbonylContact C-O 3.55Å; L1454-Q1480 WeakPolarHBondContact CA-O 3.43Å; L1454-Q1480 HydrophobicContact CD1-CB 3.63Å; L1454-Q1480 HydrophobicContact CD1-CG 3.63Å; N1455-Q1480 PolarHBondContact N-O 2.76Å; Q1480-A2176 CarbonylContact C-O 3.51Å; Q1480-A2176 VanDerWaalsContact CA-O 3.22Å; Q1480-A2176 WeakPolarHBondContact CA-O 3.42Å; Q1480-A2176 HydrophobicContact CG-CB 3.4Å |
| 1481 | E | 81.3 | Confident | 79.5 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 3% | 0.033 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 155.6 | 167.7 | -65.3 | 163.1 | -151.2 | 0 | 0 | 113.7 | N1455 R1456 A1457 S1458 R1463 A2176 T2180 | N1455-E1481 HydrophobicContact CB-CB 4.48Å; N1455-E1481 HydrophobicContact CB-CG 3.35Å; N1455-E1481 WeakPolarHBondContact O-CA 3.34Å; R1456-E1481 WeakPolarHBondContact O-CG 3.24Å; A1457-E1481 VanDerWaalsContact CA-OE2 3.27Å; A1457-E1481 WeakPolarHBondContact CA-OE2 3.41Å; S1458-E1481 PolarHBondContact N-OE2 2.81Å; S1458-E1481 VanDerWaalsContact N-OE2 3.14Å; R1463-E1481 IonicContact CZ-OE1 2.78Å; R1463-E1481 IonicContact NH1-OE1 2.78Å; R1463-E1481 PolarHBondContact NH1-OE1 2.83Å; R1463-E1481 IonicContact NH1-OE2 2.74Å; R1463-E1481 PolarHBondContact NH1-OE2 2.97Å; R1463-E1481 IonicContact NH2-OE1 3.74Å; E1481-A2176 PolarHBondContact N-O 3.37Å; E1481-A2176 WeakPolarHBondContact O-CB 3.47Å; E1481-T2180 HydrophobicContact CB-CG2 3.46Å; E1481-T2180 VanDerWaalsContact CB-CG2 3.46Å; E1481-T2180 HydrophobicContact CG-CG2 4.04Å; E1481-T2180 VanDerWaalsContact OE1-C 3.22Å; E1481-T2180 WeakPolarHBondContact OE1-CA 3.29Å; E1481-T2180 WeakPolarHBondContact OE1-CB 3.12Å; E1481-T2180 VanDerWaalsContact OE1-O 3.11Å |
| 1482 | Q | 74.7 | Confident | 79.8 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 15% | 0.15 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 134.4 | 172.6 | -72.8 | -66 | -73.6 | 0 | 0 | 111 | L1454 N1455 R1456 A1457 M1487 V1488 I1491 | L1454-Q1482 HydrophobicContact CD1-CG 4.07Å; N1455-Q1482 PolarHBondContact O-N 2.95Å; R1456-Q1482 PolarHBondContact NE-O 2.98Å; A1457-Q1482 PolarHBondContact N-O 2.92Å; Q1482-M1487 HydrophobicContact CG-CB 4.3Å; Q1482-M1487 VanDerWaalsContact OE1-CB 3.28Å; Q1482-V1488 HydrophobicContact CB-CG2 3.6Å; Q1482-I1491 HydrophobicContact CG-CD1 3.81Å |
| 1483 | D | 65.5 | Low | 80.4 | Confident | 115 Ų | 115 | 48.3 Ų | 48.3 | 62% | 0.615 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -67.3 | -44.1 | 168.1 | -85.1 | -60.2 | 0 | 0 | 0 | 111.5 | R1456 A1457 S1485 | R1456-D1483 PolarHBondContact NH2-O 3.38Å; A1457-D1483 HydrophobicContact CB-CB 4.44Å; A1457-D1483 WeakPolarHBondContact CB-OD1 3.32Å; D1483-S1485 PolarHBondContact O-N 3.13Å |
| 1484 | S | 73.5 | Confident | 81.2 | Confident | 59 Ų | 59 | 50.9 Ų | 50.9 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | trans | -79.1 | 115.2 | -172.3 | 173.8 | 0 | 0 | 0 | 0 | 112.6 | G1486 M1487 V1488 | S1484-G1486 PolarHBondContact O-N 3.48Å; S1484-G1486 VanDerWaalsContact O-N 3.08Å; S1484-G1486 PolarHBondContact OG-N 2.89Å; S1484-M1487 PolarHBondContact O-N 3.09Å; S1484-M1487 VanDerWaalsContact O-N 3.11Å; S1484-M1487 PolarHBondContact OG-N 3.39Å; S1484-V1488 VanDerWaalsContact O-CG2 3.24Å; S1484-V1488 WeakPolarHBondContact O-CG2 3.27Å; S1484-V1488 PolarHBondContact O-N 3.35Å | ||
| 1485 | S | 75.7 | Confident | 81.7 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.2 | -26.5 | 170.7 | -56.8 | 0 | 0 | 0 | 0 | 113.4 | R1456 D1483 R1489 T1502 Y1506 | R1456-S1485 PolarHBondContact NH1-OG 3.35Å; R1456-S1485 PolarHBondContact NH2-OG 2.8Å; D1483-S1485 PolarHBondContact O-N 3.13Å; S1485-R1489 PolarHBondContact O-N 3.37Å; S1485-T1502 WeakPolarHBondContact CB-OG1 3.5Å; S1485-Y1506 VanDerWaalsContact CB-CD2 3.49Å |
| 1486 | G | 72.3 | Confident | 82.1 | Confident | 22 Ų | 22 | 48 Ų | 48 | 23% | 0.227 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -76.7 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | S1484 V1488 R1489 Q1490 | S1484-G1486 PolarHBondContact O-N 3.48Å; S1484-G1486 VanDerWaalsContact O-N 3.08Å; S1484-G1486 PolarHBondContact OG-N 2.89Å; G1486-V1488 VanDerWaalsContact C-N 3.29Å; G1486-V1488 PolarHBondContact O-N 3.48Å; G1486-R1489 PolarHBondContact O-N 2.94Å; G1486-Q1490 PolarHBondContact O-N 2.79Å |
| 1487 | M | 77.5 | Confident | 82.4 | Confident | 90 Ų | 90 | 48 Ų | 48 | 44% | 0.443 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 173.4 | -75.3 | -75.6 | -75.5 | 0 | 0 | 111.1 | Q1482 S1484 R1489 Q1490 I1491 | Q1482-M1487 HydrophobicContact CG-CB 4.3Å; Q1482-M1487 VanDerWaalsContact OE1-CB 3.28Å; S1484-M1487 PolarHBondContact O-N 3.09Å; S1484-M1487 VanDerWaalsContact O-N 3.11Å; S1484-M1487 PolarHBondContact OG-N 3.39Å; M1487-R1489 VanDerWaalsContact C-N 3.34Å; M1487-R1489 PolarHBondContact O-N 2.87Å; M1487-Q1490 PolarHBondContact O-N 2.81Å; M1487-I1491 HydrophobicContact CE-CD1 4.37Å; M1487-I1491 WeakPolarHBondContact O-CB 3.45Å; M1487-I1491 VanDerWaalsContact O-CG1 3.31Å; M1487-I1491 WeakPolarHBondContact O-CG1 3.34Å; M1487-I1491 PolarHBondContact O-N 3Å |
| 1488 | V | 85.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -51.5 | -52.6 | 174.2 | 164.5 | 0 | 0 | 0 | 0 | 111.6 | I1415 L1454 R1456 Q1482 S1484 G1486 V1492 S1500 | I1415-V1488 HydrophobicContact CD1-CG1 4.12Å; L1454-V1488 HydrophobicContact CD2-CB 4.43Å; L1454-V1488 HydrophobicContact CD2-CG1 4.4Å; R1456-V1488 VanDerWaalsContact CD-CG2 3.41Å; Q1482-V1488 HydrophobicContact CB-CG2 3.6Å; S1484-V1488 VanDerWaalsContact O-CG2 3.24Å; S1484-V1488 WeakPolarHBondContact O-CG2 3.27Å; S1484-V1488 PolarHBondContact O-N 3.35Å; G1486-V1488 VanDerWaalsContact C-N 3.29Å; G1486-V1488 PolarHBondContact O-N 3.48Å; V1488-V1492 WeakPolarHBondContact O-CB 3.31Å; V1488-V1492 VanDerWaalsContact O-CG2 3.29Å; V1488-V1492 WeakPolarHBondContact O-CG2 3.27Å; V1488-V1492 PolarHBondContact O-N 3.45Å; V1488-S1500 VanDerWaalsContact CG1-OG 3.22Å; V1488-S1500 WeakPolarHBondContact CG1-OG 3.49Å |
| 1489 | R | 88.9 | Confident | 83.8 | Confident | 56 Ų | 56 | 40.8 Ų | 40.8 | 21% | 0.211 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 178.9 | -174.5 | -178.5 | 89.3 | -143.6 | 2.3 | 112.3 | I1415 S1485 G1486 M1487 V1492 A1493 Y1506 T1508 E1510 V1511 | I1415-R1489 HydrophobicContact CD1-CB 4.45Å; S1485-R1489 PolarHBondContact O-N 3.37Å; G1486-R1489 PolarHBondContact O-N 2.94Å; M1487-R1489 VanDerWaalsContact C-N 3.34Å; M1487-R1489 PolarHBondContact O-N 2.87Å; R1489-V1492 PolarHBondContact O-N 3.07Å; R1489-A1493 WeakPolarHBondContact O-CB 3.36Å; R1489-A1493 PolarHBondContact O-N 2.8Å; R1489-Y1506 WeakPolarHBondContact CD-O 3.43Å; R1489-Y1506 PolarHBondContact NH1-O 3.46Å; R1489-T1508 WeakPolarHBondContact CD-OG1 3.36Å; R1489-T1508 PolarHBondContact NE-OG1 3.1Å; R1489-E1510 IonicContact CZ-OE2 2.72Å; R1489-E1510 VanDerWaalsContact CZ-OE2 3.23Å; R1489-E1510 IonicContact NE-OE2 2.69Å; R1489-E1510 PolarHBondContact NE-OE2 2.86Å; R1489-E1510 IonicContact NH2-OE2 2.71Å; R1489-E1510 PolarHBondContact NH2-OE2 2.75Å; R1489-V1511 HydrophobicContact CG-CG1 3.72Å; R1489-V1511 HydrophobicContact CG-CG2 3.99Å; R1489-V1511 WeakPolarHBondContact O-CG1 3.47Å |
| 1490 | Q | 83.7 | Confident | 84.5 | Confident | 116 Ų | 116 | 40.3 Ų | 40.3 | 54% | 0.542 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.8 | -43.7 | -177.1 | -174.3 | 161.1 | -6.5 | 0 | 0 | 111.7 | G1486 M1487 V1492 A1493 D1494 | G1486-Q1490 PolarHBondContact O-N 2.79Å; M1487-Q1490 PolarHBondContact O-N 2.81Å; Q1490-V1492 VanDerWaalsContact C-N 3.32Å; Q1490-V1492 PolarHBondContact O-N 3.24Å; Q1490-A1493 WeakPolarHBondContact O-CB 3.34Å; Q1490-A1493 PolarHBondContact O-N 2.99Å; Q1490-A1493 VanDerWaalsContact O-N 3.11Å; Q1490-D1494 VanDerWaalsContact CG-OD2 3.23Å; Q1490-D1494 WeakPolarHBondContact CG-OD2 3.14Å; Q1490-D1494 PolarHBondContact NE2-OD2 2.96Å; Q1490-D1494 WeakPolarHBondContact O-CB 3.28Å; Q1490-D1494 PolarHBondContact O-N 3.35Å |
| 1491 | I | 86.8 | Confident | 85.2 | Confident | 28 Ų | 28 | 38 Ų | 38 | 14% | 0.144 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 174.1 | -67 | 163.3 | 0 | 0 | 0 | 110.5 | L1454 Q1482 M1487 A1493 D1494 T1495 | L1454-I1491 HydrophobicContact CD1-CG2 4.43Å; L1454-I1491 HydrophobicContact CD2-CB 3.85Å; L1454-I1491 HydrophobicContact CD2-CD1 4.48Å; L1454-I1491 HydrophobicContact CD2-CG2 3.77Å; Q1482-I1491 HydrophobicContact CG-CD1 3.81Å; M1487-I1491 HydrophobicContact CE-CD1 4.37Å; M1487-I1491 WeakPolarHBondContact O-CB 3.45Å; M1487-I1491 VanDerWaalsContact O-CG1 3.31Å; M1487-I1491 WeakPolarHBondContact O-CG1 3.34Å; M1487-I1491 PolarHBondContact O-N 3Å; I1491-A1493 VanDerWaalsContact C-N 3.33Å; I1491-A1493 PolarHBondContact O-N 2.9Å; I1491-D1494 PolarHBondContact O-N 3.25Å; I1491-T1495 WeakPolarHBondContact O-CA 3.44Å; I1491-T1495 WeakPolarHBondContact O-CB 3.23Å; I1491-T1495 PolarHBondContact O-N 2.89Å; I1491-T1495 PolarHBondContact O-OG1 2.74Å |
| 1492 | V | 93.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66 | -33.2 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 112.6 | I1415 N1417 L1454 V1488 R1489 Q1490 A1498 V1511 | I1415-V1492 HydrophobicContact CB-CG1 4.5Å; I1415-V1492 HydrophobicContact CD1-CB 4.16Å; I1415-V1492 HydrophobicContact CD1-CG1 4.22Å; I1415-V1492 HydrophobicContact CD1-CG2 4.19Å; I1415-V1492 HydrophobicContact CG1-CG1 4.25Å; I1415-V1492 HydrophobicContact CG1-CG2 4.4Å; N1417-V1492 WeakPolarHBondContact CA-O 3.27Å; N1417-V1492 VanDerWaalsContact CB-O 3.25Å; N1417-V1492 WeakPolarHBondContact CB-O 3.39Å; N1417-V1492 PolarHBondContact ND2-O 3.01Å; L1454-V1492 HydrophobicContact CD2-CG2 3.96Å; V1488-V1492 WeakPolarHBondContact O-CB 3.31Å; V1488-V1492 VanDerWaalsContact O-CG2 3.29Å; V1488-V1492 WeakPolarHBondContact O-CG2 3.27Å; V1488-V1492 PolarHBondContact O-N 3.45Å; R1489-V1492 PolarHBondContact O-N 3.07Å; Q1490-V1492 VanDerWaalsContact C-N 3.32Å; Q1490-V1492 PolarHBondContact O-N 3.24Å; V1492-A1498 HydrophobicContact CG2-CB 4.29Å; V1492-V1511 HydrophobicContact CB-CG1 4.1Å; V1492-V1511 HydrophobicContact CG1-CB 4.42Å; V1492-V1511 HydrophobicContact CG1-CG1 3.85Å |
| 1493 | A | 90.8 | Very high | 86.1 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 21% | 0.207 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.8 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | N1417 R1489 Q1490 I1491 E1510 V1511 | N1417-A1493 PolarHBondContact ND2-O 3.28Å; R1489-A1493 WeakPolarHBondContact O-CB 3.36Å; R1489-A1493 PolarHBondContact O-N 2.8Å; Q1490-A1493 WeakPolarHBondContact O-CB 3.34Å; Q1490-A1493 PolarHBondContact O-N 2.99Å; Q1490-A1493 VanDerWaalsContact O-N 3.11Å; I1491-A1493 VanDerWaalsContact C-N 3.33Å; I1491-A1493 PolarHBondContact O-N 2.9Å; A1493-E1510 HydrophobicContact CB-CB 3.74Å; A1493-V1511 HydrophobicContact CB-CG1 3.92Å |
| 1494 | D | 91.3 | Very high | 87.2 | Confident | 111 Ų | 111 | 32.4 Ų | 32.4 | 59% | 0.594 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -86.4 | -22.5 | -174.7 | -67.3 | -25.7 | 0 | 0 | 0 | 112.7 | Q1490 I1491 P1496 | Q1490-D1494 VanDerWaalsContact CG-OD2 3.23Å; Q1490-D1494 WeakPolarHBondContact CG-OD2 3.14Å; Q1490-D1494 PolarHBondContact NE2-OD2 2.96Å; Q1490-D1494 WeakPolarHBondContact O-CB 3.28Å; Q1490-D1494 PolarHBondContact O-N 3.35Å; I1491-D1494 PolarHBondContact O-N 3.25Å; D1494-P1496 WeakPolarHBondContact O-CD 3.4Å |
| 1495 | T | 89.9 | Confident | 87.3 | Confident | 43 Ų | 43 | 31.7 Ų | 31.7 | 26% | 0.264 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -99.2 | 108.4 | -176.9 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | N1417 V1452 I1491 G1497 A1498 | N1417-T1495 WeakPolarHBondContact CB-O 3.13Å; N1417-T1495 PolarHBondContact ND2-O 2.92Å; N1417-T1495 VanDerWaalsContact ND2-O 3.09Å; V1452-T1495 HydrophobicContact CB-CG2 4.32Å; V1452-T1495 HydrophobicContact CG1-CG2 4.2Å; V1452-T1495 HydrophobicContact CG2-CG2 4.36Å; I1491-T1495 WeakPolarHBondContact O-CA 3.44Å; I1491-T1495 WeakPolarHBondContact O-CB 3.23Å; I1491-T1495 PolarHBondContact O-N 2.89Å; I1491-T1495 PolarHBondContact O-OG1 2.74Å; T1495-G1497 PolarHBondContact O-N 3.26Å; T1495-A1498 HydrophobicContact CG2-CB 3.97Å; T1495-A1498 VanDerWaalsContact O-CB 3.3Å; T1495-A1498 WeakPolarHBondContact O-CB 3.45Å; T1495-A1498 PolarHBondContact O-N 3.38Å |
| 1496 | P | 88.8 | Confident | 87.5 | Confident | 84 Ų | 84 | 34.7 Ų | 34.7 | 55% | 0.545 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 126.5 | -179.4 | -21.3 | 35 | 0 | 0 | 0 | 111.9 | Q1449 D1494 | Q1449-P1496 PolarHBondContact NE2-O 3.02Å; D1494-P1496 WeakPolarHBondContact O-CD 3.4Å |
| 1497 | G | 89.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -2.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | W1441 V1452 T1495 | W1441-G1497 PolarHBondContact NE1-O 3.4Å; V1452-G1497 PolarHBondContact N-O 3.28Å; V1452-G1497 VanDerWaalsContact N-O 3.13Å; T1495-G1497 PolarHBondContact O-N 3.26Å |
| 1498 | A | 94.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 149.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1416 N1417 V1452 V1492 T1495 | V1416-A1498 VanDerWaalsContact CA-O 3.32Å; V1416-A1498 WeakPolarHBondContact CA-O 3.47Å; N1417-A1498 PolarHBondContact N-O 2.79Å; V1452-A1498 HydrophobicContact CB-CB 4.19Å; V1452-A1498 CarbonylContact O-C 3.6Å; V1452-A1498 WeakPolarHBondContact O-CA 3.31Å; V1492-A1498 HydrophobicContact CG2-CB 4.29Å; T1495-A1498 HydrophobicContact CG2-CB 3.97Å; T1495-A1498 VanDerWaalsContact O-CB 3.3Å; T1495-A1498 WeakPolarHBondContact O-CB 3.45Å; T1495-A1498 PolarHBondContact O-N 3.38Å |
| 1499 | I | 96.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 140.6 | 170.9 | -172.5 | 172.4 | 0 | 0 | 0 | 110.7 | I1415 V1416 L1430 I1433 F1434 W1441 I1451 V1452 I1453 L1454 L1514 | I1415-I1499 CarbonylContact O-C 3.52Å; I1415-I1499 WeakPolarHBondContact O-CA 3.38Å; V1416-I1499 HydrophobicContact CG1-CB 4.14Å; V1416-I1499 HydrophobicContact CG1-CD1 4.19Å; V1416-I1499 HydrophobicContact CG1-CG1 3.87Å; L1430-I1499 HydrophobicContact CD1-CD1 3.88Å; I1433-I1499 HydrophobicContact CD1-CD1 3.96Å; I1433-I1499 HydrophobicContact CG2-CD1 4.21Å; I1433-I1499 HydrophobicContact CG2-CG2 4.02Å; F1434-I1499 HydrophobicContact CE2-CD1 3.6Å; F1434-I1499 HydrophobicContact CE2-CG1 3.94Å; F1434-I1499 HydrophobicContact CE2-CG2 4.49Å; F1434-I1499 HydrophobicContact CZ-CD1 4.14Å; F1434-I1499 HydrophobicContact CZ-CG1 3.95Å; F1434-I1499 HydrophobicContact CZ-CG2 4.22Å; W1441-I1499 HydrophobicContact CH2-CD1 4.03Å; W1441-I1499 HydrophobicContact CZ2-CB 4.07Å; W1441-I1499 HydrophobicContact CZ2-CD1 4.43Å; I1451-I1499 HydrophobicContact CG2-CB 4.41Å; I1451-I1499 HydrophobicContact CG2-CG2 3.54Å; V1452-I1499 PolarHBondContact O-N 3.31Å; I1453-I1499 HydrophobicContact CB-CG2 4.39Å; I1453-I1499 HydrophobicContact CG1-CG2 3.88Å; L1454-I1499 PolarHBondContact N-O 3.32Å; I1499-L1514 HydrophobicContact CD1-CD1 4.5Å |
| 1500 | S | 94.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | -170.2 | 168.4 | -162.5 | 0 | 0 | 0 | 0 | 110.6 | P1414 I1415 L1454 V1488 | P1414-S1500 CarbonylContact C-O 3.6Å; P1414-S1500 VanDerWaalsContact CA-O 3.24Å; P1414-S1500 WeakPolarHBondContact CA-O 3.4Å; I1415-S1500 PolarHBondContact N-O 2.74Å; I1415-S1500 PolarHBondContact O-N 3Å; L1454-S1500 VanDerWaalsContact O-CA 3.26Å; L1454-S1500 WeakPolarHBondContact O-CA 3.33Å; L1454-S1500 WeakPolarHBondContact O-CB 3.4Å; L1454-S1500 PolarHBondContact O-OG 2.93Å; V1488-S1500 VanDerWaalsContact CG1-OG 3.22Å; V1488-S1500 WeakPolarHBondContact CG1-OG 3.49Å |
| 1501 | Y | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.1 | 170.9 | 49.8 | -93.7 | 0 | 0 | 0 | 111 | T1413 F1434 R1456 T1462 R1463 F1466 | T1413-Y1501 VanDerWaalsContact O-CA 3.3Å; T1413-Y1501 WeakPolarHBondContact O-CA 3.12Å; F1434-Y1501 HydrophobicContact CD1-CE1 4.14Å; F1434-Y1501 AromaticContact CE1-CD1 3.71Å; F1434-Y1501 HydrophobicContact CE1-CD1 3.71Å; F1434-Y1501 AromaticContact CE1-CE1 3.59Å; F1434-Y1501 HydrophobicContact CE1-CE1 3.59Å; F1434-Y1501 HydrophobicContact CE2-CD1 4.42Å; F1434-Y1501 AromaticContact CZ-CD1 3.66Å; F1434-Y1501 HydrophobicContact CZ-CD1 3.66Å; F1434-Y1501 HydrophobicContact CZ-CE1 4.05Å; R1456-Y1501 HydrophobicContact CB-CD2 4.48Å; R1456-Y1501 HydrophobicContact CB-CE2 3.62Å; R1456-Y1501 HydrophobicContact CG-CD2 3.65Å; R1456-Y1501 HydrophobicContact CG-CE2 3.26Å; R1456-Y1501 PolarHBondContact N-OH 3.26Å; T1462-Y1501 WeakPolarHBondContact O-CE2 3.39Å; R1463-Y1501 HydrophobicContact CB-CE2 4.37Å; F1466-Y1501 HydrophobicContact CB-CD1 4.36Å; F1466-Y1501 HydrophobicContact CB-CD2 3.79Å; F1466-Y1501 HydrophobicContact CB-CE1 4.31Å; F1466-Y1501 HydrophobicContact CB-CE2 3.73Å; F1466-Y1501 HydrophobicContact CB-CG 4.13Å; F1466-Y1501 AromaticContact CD1-CD1 3.64Å; F1466-Y1501 HydrophobicContact CD1-CD1 3.64Å; F1466-Y1501 AromaticContact CD1-CE1 3.52Å; F1466-Y1501 HydrophobicContact CD1-CE1 3.52Å; F1466-Y1501 HydrophobicContact CD1-CE2 4.48Å; F1466-Y1501 HydrophobicContact CD1-CG 4.2Å; F1466-Y1501 AromaticContact CD1-CZ 3.99Å; F1466-Y1501 AromaticContact CD2-CD1 3.58Å; F1466-Y1501 HydrophobicContact CD2-CD1 3.58Å; F1466-Y1501 AromaticContact CD2-CD2 3.91Å; F1466-Y1501 HydrophobicContact CD2-CD2 3.91Å; F1466-Y1501 HydrophobicContact CD2-CE1 4.26Å; F1466-Y1501 AromaticContact CD2-CG 3.39Å; F1466-Y1501 HydrophobicContact CD2-CG 3.39Å; F1466-Y1501 AromaticContact CE1-CD1 3.7Å; F1466-Y1501 HydrophobicContact CE1-CD1 3.7Å; F1466-Y1501 AromaticContact CE1-CE1 3.81Å; F1466-Y1501 HydrophobicContact CE1-CE1 3.81Å; F1466-Y1501 AromaticContact CE2-CD1 3.64Å; F1466-Y1501 HydrophobicContact CE2-CD1 3.64Å; F1466-Y1501 HydrophobicContact CE2-CE1 4.5Å; F1466-Y1501 AromaticContact CE2-CG 3.75Å; F1466-Y1501 HydrophobicContact CE2-CG 3.75Å; F1466-Y1501 AromaticContact CG-CD1 3.58Å; F1466-Y1501 HydrophobicContact CG-CD1 3.58Å; F1466-Y1501 AromaticContact CG-CD2 3.85Å; F1466-Y1501 HydrophobicContact CG-CD2 3.85Å; F1466-Y1501 AromaticContact CG-CE1 3.77Å; F1466-Y1501 HydrophobicContact CG-CE1 3.77Å; F1466-Y1501 HydrophobicContact CG-CE2 4.02Å; F1466-Y1501 AromaticContact CG-CG 3.64Å; F1466-Y1501 HydrophobicContact CG-CG 3.64Å; F1466-Y1501 AromaticContact CG-CZ 4Å; F1466-Y1501 AromaticContact CZ-CD1 3.7Å; F1466-Y1501 HydrophobicContact CZ-CD1 3.7Å; F1466-Y1501 HydrophobicContact CZ-CE1 4.3Å; F1466-Y1501 HydrophobicContact CZ-CG 4.3Å |
| 1502 | T | 89.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 165 | -178.2 | -163 | 0 | 0 | 0 | 0 | 111.5 | I1412 T1413 I1415 R1456 S1485 V1507 | I1412-T1502 WeakPolarHBondContact CA-O 3.26Å; T1413-T1502 PolarHBondContact N-O 2.95Å; T1413-T1502 PolarHBondContact O-N 3.28Å; I1415-T1502 HydrophobicContact CD1-CG2 3.93Å; I1415-T1502 HydrophobicContact CG1-CG2 4.37Å; I1415-T1502 HydrophobicContact CG2-CG2 4.21Å; R1456-T1502 PolarHBondContact NH1-OG1 2.87Å; S1485-T1502 WeakPolarHBondContact CB-OG1 3.5Å; T1502-V1507 HydrophobicContact CG2-CG2 4.18Å |
| 1503 | A | 87.1 | Confident | 88.9 | Confident | 6 Ų | 6 | 42 Ų | 42 | 5% | 0.05 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 146.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1410 G1411 S1505 Y1506 | V1410-A1503 HydrophobicContact CG2-CB 3.38Å; G1411-A1503 CarbonylContact O-C 3.57Å; G1411-A1503 VanDerWaalsContact O-CA 3.27Å; G1411-A1503 WeakPolarHBondContact O-CA 3.34Å; A1503-S1505 PolarHBondContact O-N 3.3Å; A1503-Y1506 HydrophobicContact CB-CD2 4.22Å; A1503-Y1506 PolarHBondContact O-N 3.49Å |
| 1504 | F | 86.9 | Confident | 89 | Confident | 32 Ų | 32 | 40.9 Ų | 40.9 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -53.1 | -40.8 | -177.3 | -68.9 | 3.1 | 0 | 0 | 0 | 112.2 | G1411 T1413 Y1506 V1507 P1521 D1523 V1526 W1531 | G1411-F1504 VanDerWaalsContact C-CE1 3.44Å; G1411-F1504 WeakPolarHBondContact O-CD1 3.3Å; G1411-F1504 WeakPolarHBondContact O-CG 3.13Å; G1411-F1504 PolarHBondContact O-N 3.46Å; T1413-F1504 HydrophobicContact CG2-CD1 3.87Å; T1413-F1504 HydrophobicContact CG2-CE1 4.18Å; F1504-Y1506 PolarHBondContact O-N 2.87Å; F1504-Y1506 VanDerWaalsContact O-N 3.1Å; F1504-V1507 WeakPolarHBondContact O-CB 3.27Å; F1504-V1507 PolarHBondContact O-N 3.49Å; F1504-P1521 HydrophobicContact CE1-CB 3.72Å; F1504-P1521 HydrophobicContact CZ-CB 3.78Å; F1504-D1523 WeakPolarHBondContact CD2-OD1 3.28Å; F1504-V1526 HydrophobicContact CE2-CG2 3.62Å; F1504-V1526 HydrophobicContact CZ-CG2 3.67Å; F1504-W1531 AromaticContact CZ-CD1 3.95Å; F1504-W1531 HydrophobicContact CZ-CG 4.39Å; F1504-W1531 AromaticContact CZ-NE1 3.94Å |
| 1505 | S | 77.2 | Confident | 89.1 | Confident | 43 Ų | 43 | 37 Ų | 37 | 30% | 0.301 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -53.5 | -27.3 | 175.7 | 54.4 | 0 | 0 | 0 | 0 | 115.2 | A1503 L1569 | A1503-S1505 PolarHBondContact O-N 3.3Å; S1505-L1569 WeakPolarHBondContact CB-O 3.43Å |
| 1506 | Y | 78.8 | Confident | 89.1 | Confident | 72 Ų | 72 | 35.6 Ų | 35.6 | 28% | 0.282 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -90.1 | -12.4 | 178.2 | -74.9 | -88.3 | 0 | 0 | 0 | 113.5 | S1485 R1489 A1503 F1504 | S1485-Y1506 VanDerWaalsContact CB-CD2 3.49Å; R1489-Y1506 WeakPolarHBondContact CD-O 3.43Å; R1489-Y1506 PolarHBondContact NH1-O 3.46Å; A1503-Y1506 HydrophobicContact CB-CD2 4.22Å; A1503-Y1506 PolarHBondContact O-N 3.49Å; F1504-Y1506 PolarHBondContact O-N 2.87Å; F1504-Y1506 VanDerWaalsContact O-N 3.1Å |
| 1507 | V | 84.5 | Confident | 89.2 | Confident | 46 Ų | 46 | 35.8 Ų | 35.8 | 28% | 0.279 | 18% | 0.181 | S | C | . | . | trans | -69.4 | 130.7 | -177.8 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | T1413 I1415 T1502 F1504 V1511 T1513 | T1413-V1507 HydrophobicContact CG2-CG2 3.56Å; I1415-V1507 HydrophobicContact CG2-CG2 4.18Å; T1502-V1507 HydrophobicContact CG2-CG2 4.18Å; F1504-V1507 WeakPolarHBondContact O-CB 3.27Å; F1504-V1507 PolarHBondContact O-N 3.49Å; V1507-V1511 HydrophobicContact CG1-CG2 4.44Å; V1507-T1513 HydrophobicContact CG1-CG2 3.8Å; V1507-T1513 HydrophobicContact CG2-CG2 4.39Å | ||
| 1508 | T | 85.5 | Confident | 89.2 | Confident | 41 Ų | 41 | 41.9 Ų | 41.9 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | trans | -131.7 | 178.8 | 178.9 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | R1489 E1510 | R1489-T1508 WeakPolarHBondContact CD-OG1 3.36Å; R1489-T1508 PolarHBondContact NE-OG1 3.1Å; T1508-E1510 VanDerWaalsContact CB-OE1 3.28Å; T1508-E1510 WeakPolarHBondContact CB-OE1 3.24Å; T1508-E1510 PolarHBondContact O-N 3.18Å; T1508-E1510 PolarHBondContact OG1-N 3.22Å; T1508-E1510 PolarHBondContact OG1-OE1 2.97Å; T1508-E1510 PolarHBondContact OG1-OE2 3.34Å | ||
| 1509 | K | 84.7 | Confident | 89 | Confident | 190 Ų | 190 | 43.5 Ų | 43.5 | 83% | 0.826 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 3.3 | 173.4 | -62.3 | 178.5 | -177.1 | 174.2 | 0 | 113.5 | K1418 | K1418-K1509 WeakPolarHBondContact CE-O 3.21Å; K1418-K1509 PolarHBondContact NZ-O 2.97Å |
| 1510 | E | 86.4 | Confident | 88.6 | Confident | 94 Ų | 94 | 48.6 Ų | 48.6 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -48.6 | 168.1 | -65.5 | 95.4 | -99 | 0 | 0 | 111.1 | K1418 R1489 A1493 T1508 | K1418-E1510 WeakPolarHBondContact CD-O 3.43Å; K1418-E1510 WeakPolarHBondContact CE-O 3.37Å; R1489-E1510 IonicContact CZ-OE2 2.72Å; R1489-E1510 VanDerWaalsContact CZ-OE2 3.23Å; R1489-E1510 IonicContact NE-OE2 2.69Å; R1489-E1510 PolarHBondContact NE-OE2 2.86Å; R1489-E1510 IonicContact NH2-OE2 2.71Å; R1489-E1510 PolarHBondContact NH2-OE2 2.75Å; A1493-E1510 HydrophobicContact CB-CB 3.74Å; T1508-E1510 VanDerWaalsContact CB-OE1 3.28Å; T1508-E1510 WeakPolarHBondContact CB-OE1 3.24Å; T1508-E1510 PolarHBondContact O-N 3.18Å; T1508-E1510 PolarHBondContact OG1-N 3.22Å; T1508-E1510 PolarHBondContact OG1-OE1 2.97Å; T1508-E1510 PolarHBondContact OG1-OE2 3.34Å |
| 1511 | V | 91.6 | Very high | 88.4 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -96.9 | 179.6 | -175.4 | -62.6 | 0 | 0 | 0 | 0 | 112.8 | I1415 K1418 R1489 V1492 A1493 V1507 | I1415-V1511 HydrophobicContact CB-CB 4.36Å; I1415-V1511 HydrophobicContact CB-CG2 4.15Å; I1415-V1511 HydrophobicContact CD1-CG1 4.32Å; I1415-V1511 HydrophobicContact CD1-CG2 4.31Å; I1415-V1511 HydrophobicContact CG2-CG2 4.01Å; K1418-V1511 WeakPolarHBondContact CE-O 3.36Å; R1489-V1511 HydrophobicContact CG-CG1 3.72Å; R1489-V1511 HydrophobicContact CG-CG2 3.99Å; R1489-V1511 WeakPolarHBondContact O-CG1 3.47Å; V1492-V1511 HydrophobicContact CB-CG1 4.1Å; V1492-V1511 HydrophobicContact CG1-CB 4.42Å; V1492-V1511 HydrophobicContact CG1-CG1 3.85Å; A1493-V1511 HydrophobicContact CB-CG1 3.92Å; V1507-V1511 HydrophobicContact CG1-CG2 4.44Å |
| 1512 | Q | 92.8 | Very high | 88.2 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 20% | 0.201 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 139.7 | 170.9 | -160.2 | -156.8 | -75.9 | 0 | 0 | 109.6 | I1415 V1416 K1418 V1422 | I1415-Q1512 CarbonylContact C-O 3.48Å; I1415-Q1512 VanDerWaalsContact CA-O 3.29Å; I1415-Q1512 WeakPolarHBondContact CA-O 3.45Å; V1416-Q1512 HydrophobicContact CG2-CB 3.97Å; V1416-Q1512 PolarHBondContact N-O 2.9Å; V1416-Q1512 PolarHBondContact O-N 2.81Å; K1418-Q1512 HydrophobicContact CG-CB 3.99Å; V1422-Q1512 PolarHBondContact O-NE2 3.45Å |
| 1513 | T | 92.9 | Very high | 88 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 28% | 0.282 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 163.7 | 168.2 | 44 | 0 | 0 | 0 | 0 | 111.2 | T1413 I1415 V1507 P1521 | T1413-T1513 HydrophobicContact CG2-CG2 3.77Å; I1415-T1513 HydrophobicContact CG2-CG2 4.3Å; V1507-T1513 HydrophobicContact CG1-CG2 3.8Å; V1507-T1513 HydrophobicContact CG2-CG2 4.39Å; T1513-P1521 HydrophobicContact CG2-CG 4.11Å |
| 1514 | L | 92.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -113.7 | 136.1 | 165.7 | -63.4 | 176.9 | 0 | 0 | 0 | 109.8 | P1414 V1416 V1422 I1425 W1441 I1499 | P1414-L1514 HydrophobicContact CG-CB 4.11Å; P1414-L1514 PolarHBondContact O-N 3.46Å; V1416-L1514 HydrophobicContact CG1-CD1 3.73Å; V1416-L1514 HydrophobicContact CG1-CD2 4.25Å; V1416-L1514 HydrophobicContact CG1-CG 3.9Å; V1416-L1514 HydrophobicContact CG2-CD2 3.98Å; V1416-L1514 HydrophobicContact CG2-CG 4.26Å; V1422-L1514 HydrophobicContact CB-CD2 4.45Å; V1422-L1514 HydrophobicContact CG1-CD2 4.19Å; V1422-L1514 VanDerWaalsContact O-CD2 3.3Å; V1422-L1514 WeakPolarHBondContact O-CD2 3.12Å; I1425-L1514 HydrophobicContact CG2-CB 4.38Å; I1425-L1514 HydrophobicContact CG2-CD1 4.09Å; W1441-L1514 HydrophobicContact CH2-CD1 4.36Å; I1499-L1514 HydrophobicContact CD1-CD1 4.5Å | ||
| 1515 | N | 93.2 | Very high | 88 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 16% | 0.16 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 145.8 | 164.2 | -65.6 | -1.7 | 0 | 0 | 0 | 109 | T1423 N1424 I1425 V1519 E1520 | T1423-N1515 PolarHBondContact O-N 3.24Å; N1424-N1515 WeakPolarHBondContact CA-O 3.47Å; N1424-N1515 HydrophobicContact CB-CB 4.11Å; N1424-N1515 WeakPolarHBondContact OD1-CB 3.27Å; N1424-N1515 PolarHBondContact OD1-O 2.7Å; I1425-N1515 PolarHBondContact N-O 3.23Å; N1515-V1519 CarbonylContact C-O 2.94Å; N1515-V1519 VanDerWaalsContact CA-O 3.24Å; N1515-V1519 WeakPolarHBondContact CA-O 3.47Å; N1515-V1519 WeakPolarHBondContact CB-O 3.34Å; N1515-E1520 WeakPolarHBondContact ND2-CG 3.48Å; N1515-E1520 PolarHBondContact ND2-OE1 3.26Å |
| 1516 | I | 90.3 | Very high | 88.6 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.5 | 179.5 | -62.8 | 177 | 0 | 0 | 0 | 108.7 | P1414 I1425 L1427 L1430 N1518 V1519 W1531 I1533 | P1414-I1516 HydrophobicContact CG-CD1 4.09Å; P1414-I1516 HydrophobicContact CG-CG1 4.45Å; I1425-I1516 HydrophobicContact CG2-CG1 4.45Å; I1425-I1516 CarbonylContact O-C 3.51Å; I1425-I1516 VanDerWaalsContact O-CA 3.3Å; I1425-I1516 WeakPolarHBondContact O-CA 3.01Å; L1427-I1516 HydrophobicContact CB-CG2 3.87Å; L1427-I1516 HydrophobicContact CD1-CG2 4.06Å; L1430-I1516 HydrophobicContact CD2-CD1 3.57Å; L1430-I1516 HydrophobicContact CD2-CG1 4.26Å; I1516-N1518 PolarHBondContact O-N 3.16Å; I1516-N1518 VanDerWaalsContact O-N 3.16Å; I1516-V1519 PolarHBondContact N-O 3.05Å; I1516-V1519 WeakPolarHBondContact O-CB 3.41Å; I1516-V1519 PolarHBondContact O-N 2.8Å; I1516-W1531 HydrophobicContact CB-CH2 4.09Å; I1516-W1531 HydrophobicContact CB-CZ3 3.92Å; I1516-W1531 HydrophobicContact CD1-CH2 3.39Å; I1516-W1531 HydrophobicContact CD1-CZ2 3.69Å; I1516-W1531 HydrophobicContact CD1-CZ3 4.08Å; I1516-W1531 HydrophobicContact CG1-CH2 3.54Å; I1516-W1531 HydrophobicContact CG1-CZ2 4.35Å; I1516-W1531 HydrophobicContact CG1-CZ3 3.88Å; I1516-I1533 HydrophobicContact CD1-CD1 3.49Å; I1516-I1533 VanDerWaalsContact CD1-CD1 3.49Å |
| 1517 | D | 91.3 | Very high | 88.9 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 47% | 0.465 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 33.4 | -176.8 | -64.3 | -62.2 | 0 | 0 | 0 | 113.2 | I1425 S1426 L1427 V1519 | I1425-D1517 PolarHBondContact O-N 2.97Å; S1426-D1517 WeakPolarHBondContact CA-OD1 3.48Å; S1426-D1517 WeakPolarHBondContact CB-OD1 3.19Å; L1427-D1517 WeakPolarHBondContact CB-OD2 3.41Å; L1427-D1517 PolarHBondContact N-OD2 2.88Å; D1517-V1519 VanDerWaalsContact C-N 3.32Å |
| 1518 | N | 89.1 | Confident | 88.9 | Confident | 128 Ų | 128 | 56.5 Ų | 56.5 | 68% | 0.684 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 7.6 | -171.9 | -43.8 | -80.8 | 0 | 0 | 0 | 116.4 | N1424 I1516 | N1424-N1518 PolarHBondContact ND2-OD1 2.78Å; N1424-N1518 WeakPolarHBondContact OD1-CA 3.31Å; N1424-N1518 PolarHBondContact OD1-N 3.25Å; I1516-N1518 PolarHBondContact O-N 3.16Å; I1516-N1518 VanDerWaalsContact O-N 3.16Å |
| 1519 | V | 90.2 | Very high | 89 | Confident | 36 Ų | 36 | 56 Ų | 56 | 22% | 0.218 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -85.8 | 135.4 | 169.3 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | N1515 I1516 D1517 N1525 H1530 W1531 | N1515-V1519 CarbonylContact C-O 2.94Å; N1515-V1519 VanDerWaalsContact CA-O 3.24Å; N1515-V1519 WeakPolarHBondContact CA-O 3.47Å; N1515-V1519 WeakPolarHBondContact CB-O 3.34Å; I1516-V1519 PolarHBondContact N-O 3.05Å; I1516-V1519 WeakPolarHBondContact O-CB 3.41Å; I1516-V1519 PolarHBondContact O-N 2.8Å; D1517-V1519 VanDerWaalsContact C-N 3.32Å; V1519-N1525 HydrophobicContact CG1-CB 3.92Å; V1519-H1530 HydrophobicContact CG1-CB 3.91Å; V1519-W1531 HydrophobicContact CB-CE3 4.46Å; V1519-W1531 HydrophobicContact CG1-CB 4.45Å; V1519-W1531 HydrophobicContact CG1-CE3 4.23Å; V1519-W1531 WeakPolarHBondContact O-CZ3 3.44Å |
| 1520 | E | 89.1 | Confident | 89 | Confident | 106 Ų | 106 | 52.7 Ų | 52.7 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | trans | -87.4 | 143.8 | 176.2 | -47.9 | -147.5 | 124.2 | 0 | 0 | 111.3 | N1515 T1522 N1525 | N1515-E1520 WeakPolarHBondContact ND2-CG 3.48Å; N1515-E1520 PolarHBondContact ND2-OE1 3.26Å; E1520-T1522 HydrophobicContact CB-CG2 4.05Å; E1520-T1522 PolarHBondContact O-N 3.14Å; E1520-N1525 PolarHBondContact O-ND2 2.68Å | ||
| 1521 | P | 90.5 | Very high | 89.2 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 14% | 0.143 | 25% | 0.253 | C | S | . | . | trans | -72.3 | 89.5 | 173.8 | 27.8 | -31.8 | 0 | 0 | 0 | 110.7 | F1504 T1513 W1531 | F1504-P1521 HydrophobicContact CE1-CB 3.72Å; F1504-P1521 HydrophobicContact CZ-CB 3.78Å; T1513-P1521 HydrophobicContact CG2-CG 4.11Å; P1521-W1531 HydrophobicContact CB-CD2 4.12Å; P1521-W1531 HydrophobicContact CB-CE3 4.02Å; P1521-W1531 HydrophobicContact CB-CH2 3.72Å; P1521-W1531 HydrophobicContact CB-CZ2 3.85Å; P1521-W1531 HydrophobicContact CB-CZ3 3.81Å; P1521-W1531 HydrophobicContact CG-CH2 4.14Å; P1521-W1531 HydrophobicContact CG-CZ3 4.19Å | ||
| 1522 | T | 88.7 | Confident | 88.9 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 29% | 0.288 | 28% | 0.275 | S | S | . | . | trans | -134.9 | 154.6 | 179 | 67 | 0 | 0 | 0 | 0 | 111.4 | E1520 E1524 N1525 V1526 | E1520-T1522 HydrophobicContact CB-CG2 4.05Å; E1520-T1522 PolarHBondContact O-N 3.14Å; T1522-E1524 VanDerWaalsContact C-N 3.27Å; T1522-E1524 PolarHBondContact O-N 2.9Å; T1522-N1525 PolarHBondContact O-N 3.33Å; T1522-N1525 WeakPolarHBondContact OG1-CB 3.44Å; T1522-N1525 PolarHBondContact OG1-N 2.81Å; T1522-N1525 PolarHBondContact OG1-ND2 3.3Å; T1522-N1525 VanDerWaalsContact OG1-ND2 3.16Å; T1522-V1526 PolarHBondContact O-N 3.47Å | ||
| 1523 | D | 85.3 | Confident | 88.8 | Confident | 77 Ų | 77 | 51.6 Ų | 51.6 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.1 | -35.1 | -179.3 | -51.4 | -46.4 | 0 | 0 | 0 | 112.1 | F1504 N1525 V1526 T1527 I1572 | F1504-D1523 WeakPolarHBondContact CD2-OD1 3.28Å; D1523-N1525 VanDerWaalsContact C-N 3.33Å; D1523-N1525 PolarHBondContact O-N 2.96Å; D1523-V1526 PolarHBondContact O-N 3.32Å; D1523-T1527 WeakPolarHBondContact O-CB 3.34Å; D1523-T1527 VanDerWaalsContact O-CG2 3.29Å; D1523-T1527 WeakPolarHBondContact O-CG2 3.47Å; D1523-T1527 PolarHBondContact O-N 3.13Å; D1523-T1527 PolarHBondContact O-OG1 2.83Å; D1523-I1572 HydrophobicContact CB-CD1 3.96Å; D1523-I1572 HydrophobicContact CB-CG1 3.95Å; D1523-I1572 WeakPolarHBondContact OD1-CD1 3.26Å; D1523-I1572 WeakPolarHBondContact OD1-CG1 3.48Å |
| 1524 | E | 85 | Confident | 88.7 | Confident | 136 Ų | 136 | 49.5 Ų | 49.5 | 64% | 0.636 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.7 | -38.1 | 172.8 | -175.5 | 168.4 | -153.9 | 0 | 0 | 112.1 | T1522 T1527 T1528 | T1522-E1524 VanDerWaalsContact C-N 3.27Å; T1522-E1524 PolarHBondContact O-N 2.9Å; E1524-T1527 WeakPolarHBondContact CA-OG1 3.39Å; E1524-T1527 PolarHBondContact O-OG1 3.13Å; E1524-T1527 VanDerWaalsContact O-OG1 3.07Å; E1524-T1528 WeakPolarHBondContact O-CB 3.23Å; E1524-T1528 WeakPolarHBondContact O-CG2 3.47Å; E1524-T1528 PolarHBondContact O-N 3.05Å; E1524-T1528 PolarHBondContact O-OG1 2.94Å |
| 1525 | N | 90.1 | Very high | 88.5 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -75.1 | -31 | 176 | -74.1 | -30.2 | 0 | 0 | 0 | 112.5 | V1519 E1520 T1522 D1523 T1528 N1529 H1530 W1531 | V1519-N1525 HydrophobicContact CG1-CB 3.92Å; E1520-N1525 PolarHBondContact O-ND2 2.68Å; T1522-N1525 PolarHBondContact O-N 3.33Å; T1522-N1525 WeakPolarHBondContact OG1-CB 3.44Å; T1522-N1525 PolarHBondContact OG1-N 2.81Å; T1522-N1525 PolarHBondContact OG1-ND2 3.3Å; T1522-N1525 VanDerWaalsContact OG1-ND2 3.16Å; D1523-N1525 VanDerWaalsContact C-N 3.33Å; D1523-N1525 PolarHBondContact O-N 2.96Å; N1525-T1528 WeakPolarHBondContact CA-OG1 3.21Å; N1525-T1528 PolarHBondContact O-OG1 3.42Å; N1525-N1529 CarbonylContact O-C 3.5Å; N1525-N1529 PolarHBondContact O-N 2.81Å; N1525-N1529 VanDerWaalsContact O-N 3.08Å; N1525-H1530 HydrophobicContact CB-CB 4.16Å; N1525-H1530 PolarHBondContact O-N 3.16Å; N1525-W1531 HydrophobicContact CB-CB 3.84Å; N1525-W1531 PolarHBondContact O-N 2.93Å |
| 1526 | V | 87.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.8 | -51.3 | 173 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | V1409 F1504 T1522 D1523 T1528 N1529 W1531 W1534 I1572 M1577 | V1409-V1526 HydrophobicContact CG1-CG1 4.07Å; F1504-V1526 HydrophobicContact CE2-CG2 3.62Å; F1504-V1526 HydrophobicContact CZ-CG2 3.67Å; T1522-V1526 PolarHBondContact O-N 3.47Å; D1523-V1526 PolarHBondContact O-N 3.32Å; V1526-T1528 PolarHBondContact O-N 3.28Å; V1526-T1528 VanDerWaalsContact O-N 3.15Å; V1526-N1529 PolarHBondContact O-N 3.44Å; V1526-W1531 HydrophobicContact CG2-CB 3.97Å; V1526-W1531 HydrophobicContact CG2-CG 4.11Å; V1526-W1534 HydrophobicContact CG1-CB 3.7Å; V1526-W1534 HydrophobicContact CG1-CD2 4.22Å; V1526-W1534 HydrophobicContact CG1-CG 3.64Å; V1526-W1534 HydrophobicContact CG2-CB 4.44Å; V1526-I1572 HydrophobicContact CB-CD1 3.57Å; V1526-I1572 HydrophobicContact CG1-CD1 3.43Å; V1526-I1572 VanDerWaalsContact CG1-CD1 3.43Å; V1526-I1572 HydrophobicContact CG2-CD1 4.06Å; V1526-M1577 HydrophobicContact CG1-CE 4.33Å; V1526-M1577 HydrophobicContact CG1-SD 4.27Å |
| 1527 | T | 86.6 | Confident | 88.3 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.3 | -26.6 | -179.9 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | D1523 E1524 I1572 E1576 M1577 K1578 | D1523-T1527 WeakPolarHBondContact O-CB 3.34Å; D1523-T1527 VanDerWaalsContact O-CG2 3.29Å; D1523-T1527 WeakPolarHBondContact O-CG2 3.47Å; D1523-T1527 PolarHBondContact O-N 3.13Å; D1523-T1527 PolarHBondContact O-OG1 2.83Å; E1524-T1527 WeakPolarHBondContact CA-OG1 3.39Å; E1524-T1527 PolarHBondContact O-OG1 3.13Å; E1524-T1527 VanDerWaalsContact O-OG1 3.07Å; T1527-I1572 HydrophobicContact CG2-CG2 3.61Å; T1527-E1576 WeakPolarHBondContact CB-O 3.22Å; T1527-E1576 HydrophobicContact CG2-CB 3.88Å; T1527-E1576 WeakPolarHBondContact CG2-O 3.18Å; T1527-M1577 HydrophobicContact CG2-SD 3.83Å; T1527-K1578 WeakPolarHBondContact O-CA 3.35Å; T1527-K1578 VanDerWaalsContact O-CB 3.3Å; T1527-K1578 WeakPolarHBondContact O-CB 3.23Å; T1527-K1578 PolarHBondContact O-N 2.88Å |
| 1528 | T | 84.9 | Confident | 88.3 | Confident | 41 Ų | 41 | 45 Ų | 45 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -2.4 | 173.7 | 55.6 | 0 | 0 | 0 | 0 | 114.5 | E1524 N1525 V1526 H1530 K1578 | E1524-T1528 WeakPolarHBondContact O-CB 3.23Å; E1524-T1528 WeakPolarHBondContact O-CG2 3.47Å; E1524-T1528 PolarHBondContact O-N 3.05Å; E1524-T1528 PolarHBondContact O-OG1 2.94Å; N1525-T1528 WeakPolarHBondContact CA-OG1 3.21Å; N1525-T1528 PolarHBondContact O-OG1 3.42Å; V1526-T1528 PolarHBondContact O-N 3.28Å; V1526-T1528 VanDerWaalsContact O-N 3.15Å; T1528-H1530 WeakPolarHBondContact CB-ND1 3.41Å; T1528-H1530 PolarHBondContact O-N 2.98Å; T1528-H1530 PolarHBondContact OG1-ND1 3.13Å; T1528-K1578 HydrophobicContact CG2-CD 3.82Å |
| 1529 | N | 86.1 | Confident | 88.4 | Confident | 32 Ų | 32 | 38.9 Ų | 38.9 | 17% | 0.171 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 21.3 | -175.9 | -161.1 | 70.4 | 0 | 0 | 0 | 115.7 | N1525 V1526 W1531 W1534 V1579 R1581 | N1525-N1529 CarbonylContact O-C 3.5Å; N1525-N1529 PolarHBondContact O-N 2.81Å; N1525-N1529 VanDerWaalsContact O-N 3.08Å; V1526-N1529 PolarHBondContact O-N 3.44Å; N1529-W1531 VanDerWaalsContact C-N 3.34Å; N1529-W1534 PolarHBondContact OD1-NE1 2.87Å; N1529-W1534 VanDerWaalsContact OD1-NE1 3.1Å; N1529-V1579 HydrophobicContact CB-CB 4.33Å; N1529-V1579 HydrophobicContact CB-CG1 3.66Å; N1529-V1579 HydrophobicContact CB-CG2 3.9Å; N1529-R1581 PolarHBondContact OD1-NH2 2.85Å |
| 1530 | H | 85.5 | Confident | 88.6 | Confident | 119 Ų | 119 | 37.3 Ų | 37.3 | 55% | 0.551 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -66.1 | -42.6 | 162.5 | -66.9 | 104 | 0 | 0 | 0 | 109.9 | V1519 N1525 T1528 | V1519-H1530 HydrophobicContact CG1-CB 3.91Å; N1525-H1530 HydrophobicContact CB-CB 4.16Å; N1525-H1530 PolarHBondContact O-N 3.16Å; T1528-H1530 WeakPolarHBondContact CB-ND1 3.41Å; T1528-H1530 PolarHBondContact O-N 2.98Å; T1528-H1530 PolarHBondContact OG1-ND1 3.13Å |
| 1531 | W | 90.6 | Very high | 88.8 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -87 | 120 | 165.9 | -168.9 | -90.9 | 0 | 0 | 0 | 109.3 | I1412 F1504 I1516 V1519 P1521 N1525 V1526 N1529 I1533 | I1412-W1531 PolarHBondContact O-NE1 2.76Å; F1504-W1531 AromaticContact CZ-CD1 3.95Å; F1504-W1531 HydrophobicContact CZ-CG 4.39Å; F1504-W1531 AromaticContact CZ-NE1 3.94Å; I1516-W1531 HydrophobicContact CB-CH2 4.09Å; I1516-W1531 HydrophobicContact CB-CZ3 3.92Å; I1516-W1531 HydrophobicContact CD1-CH2 3.39Å; I1516-W1531 HydrophobicContact CD1-CZ2 3.69Å; I1516-W1531 HydrophobicContact CD1-CZ3 4.08Å; I1516-W1531 HydrophobicContact CG1-CH2 3.54Å; I1516-W1531 HydrophobicContact CG1-CZ2 4.35Å; I1516-W1531 HydrophobicContact CG1-CZ3 3.88Å; V1519-W1531 HydrophobicContact CB-CE3 4.46Å; V1519-W1531 HydrophobicContact CG1-CB 4.45Å; V1519-W1531 HydrophobicContact CG1-CE3 4.23Å; V1519-W1531 WeakPolarHBondContact O-CZ3 3.44Å; P1521-W1531 HydrophobicContact CB-CD2 4.12Å; P1521-W1531 HydrophobicContact CB-CE3 4.02Å; P1521-W1531 HydrophobicContact CB-CH2 3.72Å; P1521-W1531 HydrophobicContact CB-CZ2 3.85Å; P1521-W1531 HydrophobicContact CB-CZ3 3.81Å; P1521-W1531 HydrophobicContact CG-CH2 4.14Å; P1521-W1531 HydrophobicContact CG-CZ3 4.19Å; N1525-W1531 HydrophobicContact CB-CB 3.84Å; N1525-W1531 PolarHBondContact O-N 2.93Å; V1526-W1531 HydrophobicContact CG2-CB 3.97Å; V1526-W1531 HydrophobicContact CG2-CG 4.11Å; N1529-W1531 VanDerWaalsContact C-N 3.34Å; W1531-I1533 HydrophobicContact CZ2-CD1 4.08Å; W1531-I1533 PolarHBondContact NE1-O 2.94Å |
| 1532 | K | 85.6 | Confident | 88.5 | Confident | 113 Ų | 113 | 36.4 Ų | 36.4 | 49% | 0.491 | 18% | 0.18 | S | C | . | . | trans | -96.3 | -14 | -171 | -64.3 | 178.8 | -176.1 | 173.7 | 0 | 114.7 | W1534 R1581 | K1532-W1534 PolarHBondContact O-N 3.15Å; K1532-R1581 PolarHBondContact O-NH1 2.9Å; K1532-R1581 PolarHBondContact O-NH2 3.19Å | ||
| 1533 | I | 89.3 | Confident | 88.2 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | trans | -92.6 | 89 | -174.7 | -39.5 | 172 | 0 | 0 | 0 | 108.8 | I1412 T1465 F1466 V1470 I1516 W1531 | I1412-I1533 HydrophobicContact CB-CG2 3.94Å; I1412-I1533 HydrophobicContact CG2-CG2 4.02Å; I1412-I1533 PolarHBondContact N-O 3.02Å; T1465-I1533 HydrophobicContact CG2-CG2 4.38Å; F1466-I1533 HydrophobicContact CD2-CG2 4.47Å; V1470-I1533 HydrophobicContact CG2-CD1 3.45Å; V1470-I1533 VanDerWaalsContact CG2-CD1 3.45Å; V1470-I1533 HydrophobicContact CG2-CG1 3.96Å; V1470-I1533 HydrophobicContact CG2-CG2 4.45Å; I1516-I1533 HydrophobicContact CD1-CD1 3.49Å; I1516-I1533 VanDerWaalsContact CD1-CD1 3.49Å; W1531-I1533 HydrophobicContact CZ2-CD1 4.08Å; W1531-I1533 PolarHBondContact NE1-O 2.94Å | ||
| 1534 | W | 91.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 155.4 | 179.9 | 65.6 | -97.3 | 0 | 0 | 0 | 111 | V1409 V1410 T1465 V1526 N1529 K1532 Y1536 M1577 V1579 R1581 | V1409-W1534 HydrophobicContact CG1-CD2 4.4Å; V1409-W1534 HydrophobicContact CG1-CE3 3.81Å; V1409-W1534 HydrophobicContact CG1-CZ3 4.45Å; V1409-W1534 HydrophobicContact CG2-CE3 4.46Å; V1409-W1534 HydrophobicContact CG2-CZ3 4.33Å; V1410-W1534 WeakPolarHBondContact O-CA 3.42Å; V1410-W1534 WeakPolarHBondContact O-CB 3.19Å; T1465-W1534 WeakPolarHBondContact CG2-O 3.42Å; V1526-W1534 HydrophobicContact CG1-CB 3.7Å; V1526-W1534 HydrophobicContact CG1-CD2 4.22Å; V1526-W1534 HydrophobicContact CG1-CG 3.64Å; V1526-W1534 HydrophobicContact CG2-CB 4.44Å; N1529-W1534 PolarHBondContact OD1-NE1 2.87Å; N1529-W1534 VanDerWaalsContact OD1-NE1 3.1Å; K1532-W1534 PolarHBondContact O-N 3.15Å; W1534-Y1536 AromaticContact CH2-CE2 3.98Å; W1534-Y1536 HydrophobicContact CH2-CE2 3.98Å; W1534-Y1536 AromaticContact CH2-CZ 3.98Å; W1534-Y1536 HydrophobicContact CZ3-CD2 4.06Å; W1534-Y1536 HydrophobicContact CZ3-CE1 4.23Å; W1534-Y1536 AromaticContact CZ3-CE2 3.68Å; W1534-Y1536 HydrophobicContact CZ3-CE2 3.68Å; W1534-Y1536 HydrophobicContact CZ3-CG 4.48Å; W1534-Y1536 AromaticContact CZ3-CZ 3.75Å; W1534-M1577 HydrophobicContact CD2-CE 3.94Å; W1534-M1577 HydrophobicContact CE3-CE 3.84Å; W1534-M1577 HydrophobicContact CH2-CE 3.44Å; W1534-M1577 VanDerWaalsContact CH2-CE 3.44Å; W1534-M1577 HydrophobicContact CZ2-CE 3.52Å; W1534-M1577 HydrophobicContact CZ3-CE 3.6Å; W1534-V1579 HydrophobicContact CH2-CG2 4.22Å; W1534-V1579 HydrophobicContact CZ2-CG2 3.53Å; W1534-R1581 VanDerWaalsContact CE2-CZ 3.45Å; W1534-R1581 HydrophobicContact CH2-CB 3.89Å; W1534-R1581 HydrophobicContact CH2-CG 3.56Å; W1534-R1581 HydrophobicContact CZ2-CB 4.47Å; W1534-R1581 VanDerWaalsContact CZ2-CD 3.41Å; W1534-R1581 HydrophobicContact CZ2-CG 3.64Å; W1534-R1581 VanDerWaalsContact CZ2-NE 3.32Å; W1534-R1581 HydrophobicContact CZ3-CG 4.44Å; W1534-R1581 PolarHBondContact O-NH1 3.16Å |
| 1535 | A | 87.9 | Confident | 87.4 | Confident | 18 Ų | 18 | 36.4 Ų | 36.4 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 168.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | V1409 V1410 T1465 | V1409-A1535 WeakPolarHBondContact CA-O 2.97Å; V1410-A1535 HydrophobicContact CG1-CB 4.19Å; V1410-A1535 PolarHBondContact N-O 3.26Å; V1410-A1535 PolarHBondContact O-N 2.84Å; V1410-A1535 VanDerWaalsContact O-N 3.07Å; T1465-A1535 HydrophobicContact CG2-CB 4.07Å; T1465-A1535 WeakPolarHBondContact OG1-CB 3.36Å |
| 1536 | Y | 89.4 | Confident | 86.9 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 152.1 | 167.6 | -70.7 | -73.6 | 0 | 0 | 0 | 110.4 | F1390 K1406 A1408 V1409 W1534 H1538 I1574 E1580 R1581 | F1390-Y1536 HydrophobicContact CE2-CD2 4.43Å; F1390-Y1536 HydrophobicContact CZ-CD2 4.02Å; K1406-Y1536 HydrophobicContact CB-CD1 4.12Å; K1406-Y1536 HydrophobicContact CB-CG 4.43Å; K1406-Y1536 HydrophobicContact CD-CD1 3.86Å; K1406-Y1536 HydrophobicContact CD-CD2 3.95Å; K1406-Y1536 HydrophobicContact CD-CE1 3.95Å; K1406-Y1536 HydrophobicContact CD-CE2 4.03Å; K1406-Y1536 HydrophobicContact CD-CG 3.88Å; K1406-Y1536 HydrophobicContact CG-CD1 4.22Å; K1406-Y1536 HydrophobicContact CG-CG 4.12Å; A1408-Y1536 WeakPolarHBondContact O-CA 3.38Å; V1409-Y1536 HydrophobicContact CG2-CD1 3.34Å; V1409-Y1536 HydrophobicContact CG2-CE1 3.4Å; V1409-Y1536 VanDerWaalsContact CG2-CE1 3.4Å; V1409-Y1536 HydrophobicContact CG2-CG 4.3Å; W1534-Y1536 AromaticContact CH2-CE2 3.98Å; W1534-Y1536 HydrophobicContact CH2-CE2 3.98Å; W1534-Y1536 AromaticContact CH2-CZ 3.98Å; W1534-Y1536 HydrophobicContact CZ3-CD2 4.06Å; W1534-Y1536 HydrophobicContact CZ3-CE1 4.23Å; W1534-Y1536 AromaticContact CZ3-CE2 3.68Å; W1534-Y1536 HydrophobicContact CZ3-CE2 3.68Å; W1534-Y1536 HydrophobicContact CZ3-CG 4.48Å; W1534-Y1536 AromaticContact CZ3-CZ 3.75Å; Y1536-H1538 WeakPolarHBondContact CB-NE2 3.29Å; Y1536-H1538 PolarHBondContact O-CD2 3.34Å; Y1536-H1538 VanDerWaalsContact O-CD2 3.3Å; Y1536-I1574 HydrophobicContact CD1-CD1 4.41Å; Y1536-I1574 HydrophobicContact CD1-CG1 4.46Å; Y1536-I1574 HydrophobicContact CE1-CG1 4.47Å; Y1536-E1580 WeakPolarHBondContact OH-CA 3.29Å; Y1536-R1581 HydrophobicContact CE2-CB 4.16Å |
| 1537 | E | 90.2 | Very high | 85.8 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.6 | 165.3 | -66.8 | -77.9 | -160.5 | 0 | 0 | 107.7 | L1343 D1388 V1407 A1408 V1410 Y1571 | L1343-E1537 HydrophobicContact CD1-CB 3.89Å; L1343-E1537 WeakPolarHBondContact CD1-OE2 3.25Å; L1343-E1537 HydrophobicContact CD2-CB 4.32Å; L1343-E1537 HydrophobicContact CG-CB 4Å; L1343-E1537 HydrophobicContact CG-CG 4.34Å; L1343-E1537 WeakPolarHBondContact CG-OE2 3.26Å; D1388-E1537 WeakPolarHBondContact CA-OE2 3.42Å; D1388-E1537 WeakPolarHBondContact CB-OE2 3.33Å; V1407-E1537 WeakPolarHBondContact CG2-O 3.43Å; V1407-E1537 PolarHBondContact N-O 3.46Å; A1408-E1537 HydrophobicContact CB-CB 4.08Å; A1408-E1537 HydrophobicContact CB-CG 4.39Å; A1408-E1537 PolarHBondContact N-O 2.79Å; A1408-E1537 PolarHBondContact O-N 2.96Å; V1410-E1537 HydrophobicContact CB-CG 4.36Å; V1410-E1537 HydrophobicContact CG1-CG 4.31Å; E1537-Y1571 HydrophobicContact CG-CD1 4.11Å; E1537-Y1571 HydrophobicContact CG-CE1 3.63Å; E1537-Y1571 VanDerWaalsContact OE1-CE1 3.23Å; E1537-Y1571 WeakPolarHBondContact OE1-CE1 3.44Å; E1537-Y1571 PolarHBondContact OE1-OH 3.04Å |
| 1538 | H | 91.8 | Very high | 85.4 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 150 | -164.8 | -58.3 | -102.2 | 0 | 0 | 0 | 113.5 | L1343 N1386 S1387 F1390 D1404 Y1536 Y1540 | L1343-H1538 WeakPolarHBondContact CD1-O 3.45Å; N1386-H1538 CarbonylContact C-O 3.13Å; N1386-H1538 WeakPolarHBondContact CA-O 3.41Å; S1387-H1538 PolarHBondContact N-O 2.83Å; S1387-H1538 WeakPolarHBondContact O-CA 3.36Å; S1387-H1538 WeakPolarHBondContact O-CB 3.26Å; S1387-H1538 PolarHBondContact O-N 3.36Å; F1390-H1538 AromaticContact CD1-CE1 3.57Å; F1390-H1538 AromaticContact CD2-NE2 3.85Å; F1390-H1538 AromaticContact CE1-CE1 3.59Å; F1390-H1538 AromaticContact CE2-NE2 3.98Å; F1390-H1538 AromaticContact CG-CE1 3.8Å; F1390-H1538 AromaticContact CG-NE2 3.96Å; F1390-H1538 AromaticContact CZ-CE1 3.83Å; D1404-H1538 VanDerWaalsContact CG-ND1 3.32Å; D1404-H1538 IonicContact OD1-CE1 2.65Å; D1404-H1538 IonicContact OD1-CG 2.73Å; D1404-H1538 IonicContact OD1-ND1 3.53Å; D1404-H1538 PolarHBondContact OD1-ND1 2.81Å; D1404-H1538 IonicContact OD2-CE1 3.25Å; D1404-H1538 IonicContact OD2-ND1 2.75Å; D1404-H1538 PolarHBondContact OD2-ND1 3.4Å; Y1536-H1538 WeakPolarHBondContact CB-NE2 3.29Å; Y1536-H1538 PolarHBondContact O-CD2 3.34Å; Y1536-H1538 VanDerWaalsContact O-CD2 3.3Å; H1538-Y1540 HydrophobicContact CB-CD2 4.06Å; H1538-Y1540 HydrophobicContact CB-CE2 3.44Å; H1538-Y1540 VanDerWaalsContact CB-CE2 3.44Å; H1538-Y1540 AromaticContact CG-CE2 3.99Å; H1538-Y1540 PolarHBondContact ND1-OH 3.48Å |
| 1539 | M | 91.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 123.7 | 166.5 | -67.4 | -112.2 | -71 | 0 | 0 | 109.1 | V1347 I1384 N1386 H1405 V1407 F1552 L1553 M1556 | V1347-M1539 HydrophobicContact CG1-SD 4.23Å; V1347-M1539 HydrophobicContact CG2-SD 3.92Å; I1384-M1539 HydrophobicContact CD1-CE 4.11Å; I1384-M1539 HydrophobicContact CG2-CB 4.31Å; I1384-M1539 HydrophobicContact CG2-CE 3.89Å; I1384-M1539 HydrophobicContact CG2-SD 3.67Å; N1386-M1539 HydrophobicContact CB-CG 4.32Å; N1386-M1539 HydrophobicContact CB-SD 3.81Å; H1405-M1539 WeakPolarHBondContact CB-O 3.43Å; H1405-M1539 PolarHBondContact CD2-O 3.22Å; H1405-M1539 VanDerWaalsContact CD2-O 3.23Å; H1405-M1539 PolarHBondContact N-O 2.9Å; H1405-M1539 PolarHBondContact O-N 2.94Å; V1407-M1539 HydrophobicContact CG1-CB 4.34Å; V1407-M1539 HydrophobicContact CG1-CG 4.04Å; V1407-M1539 HydrophobicContact CG2-CG 3.8Å; M1539-F1552 HydrophobicContact CE-CD1 4.04Å; M1539-F1552 HydrophobicContact CE-CE1 3.76Å; M1539-L1553 HydrophobicContact CB-CD2 3.68Å; M1539-L1553 HydrophobicContact CE-CD2 3.62Å; M1539-L1553 HydrophobicContact CG-CD2 4.35Å; M1539-M1556 HydrophobicContact CE-CE 3.76Å; M1539-M1556 HydrophobicContact CE-SD 3.82Å; M1539-M1556 HydrophobicContact CG-SD 4.16Å; M1539-M1556 HydrophobicContact SD-CE 4.29Å; M1539-M1556 HydrophobicContact SD-SD 4.21Å |
| 1540 | Y | 94.1 | Very high | 85 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 143.2 | -175.7 | -75 | -84.4 | 0 | 0 | 0 | 113 | L1374 I1384 G1385 F1390 A1391 L1402 V1403 D1404 H1538 | L1374-Y1540 HydrophobicContact CD2-CD1 4.32Å; L1374-Y1540 HydrophobicContact CD2-CD2 3.36Å; L1374-Y1540 HydrophobicContact CD2-CE2 3.86Å; L1374-Y1540 HydrophobicContact CD2-CG 3.63Å; I1384-Y1540 WeakPolarHBondContact CA-O 3.16Å; G1385-Y1540 PolarHBondContact N-O 2.8Å; G1385-Y1540 WeakPolarHBondContact O-CB 3.49Å; G1385-Y1540 PolarHBondContact O-N 2.78Å; F1390-Y1540 WeakPolarHBondContact CA-OH 3.2Å; A1391-Y1540 HydrophobicContact CB-CD1 4.07Å; A1391-Y1540 HydrophobicContact CB-CE1 3.52Å; A1391-Y1540 HydrophobicContact CB-CE2 4.28Å; A1391-Y1540 PolarHBondContact N-OH 3.09Å; L1402-Y1540 HydrophobicContact CB-CD1 3.9Å; L1402-Y1540 HydrophobicContact CD1-CD1 4.23Å; L1402-Y1540 HydrophobicContact CD1-CG 4.4Å; V1403-Y1540 WeakPolarHBondContact O-CA 3.33Å; D1404-Y1540 VanDerWaalsContact CA-CE1 3.48Å; D1404-Y1540 HydrophobicContact CB-CD1 4.24Å; D1404-Y1540 HydrophobicContact CB-CE1 3.49Å; D1404-Y1540 VanDerWaalsContact CB-CE1 3.49Å; D1404-Y1540 PolarHBondContact OD1-OH 3.04Å; H1538-Y1540 HydrophobicContact CB-CD2 4.06Å; H1538-Y1540 HydrophobicContact CB-CE2 3.44Å; H1538-Y1540 VanDerWaalsContact CB-CE2 3.44Å; H1538-Y1540 AromaticContact CG-CE2 3.99Å; H1538-Y1540 PolarHBondContact ND1-OH 3.48Å |
| 1541 | T | 92.8 | Very high | 84.7 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.3 | 176.1 | 63.5 | 0 | 0 | 0 | 0 | 112.1 | L1402 V1403 H1405 G1543 P1545 V1549 L1553 | L1402-T1541 CarbonylContact C-O 3.6Å; L1402-T1541 VanDerWaalsContact CA-O 3.31Å; L1402-T1541 WeakPolarHBondContact CA-O 3.39Å; V1403-T1541 PolarHBondContact N-O 3.04Å; V1403-T1541 PolarHBondContact O-N 3.46Å; V1403-T1541 VanDerWaalsContact O-N 3.08Å; H1405-T1541 PolarHBondContact NE2-OG1 3.39Å; H1405-T1541 VanDerWaalsContact NE2-OG1 3.08Å; T1541-G1543 CarbonylContact C-O 3.56Å; T1541-G1543 PolarHBondContact O-N 3.46Å; T1541-G1543 PolarHBondContact OG1-O 2.98Å; T1541-P1545 HydrophobicContact CG2-CB 4.22Å; T1541-V1549 HydrophobicContact CG2-CG1 3.57Å; T1541-L1553 HydrophobicContact CG2-CD1 3.85Å |
| 1542 | K | 84.7 | Confident | 84.7 | Confident | 108 Ų | 108 | 38.5 Ų | 38.5 | 47% | 0.47 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 90.5 | -179.1 | -175.8 | 172.8 | 177.6 | 154 | 0 | 111.4 | V1377 Q1378 S1379 | V1377-K1542 HydrophobicContact CG2-CB 4.21Å; V1377-K1542 WeakPolarHBondContact O-CB 3.3Å; V1377-K1542 WeakPolarHBondContact O-CD 3.31Å; Q1378-K1542 WeakPolarHBondContact O-CE 3.48Å; Q1378-K1542 PolarHBondContact O-NZ 3.16Å; S1379-K1542 PolarHBondContact O-NZ 3.06Å |
| 1543 | G | 82.5 | Confident | 84.9 | Confident | 27 Ų | 27 | 33.3 Ų | 33.3 | 28% | 0.278 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 67.6 | -150.6 | -164.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K1401 V1403 T1541 | K1401-G1543 PolarHBondContact O-N 3.11Å; V1403-G1543 VanDerWaalsContact CG2-O 3.25Å; V1403-G1543 WeakPolarHBondContact CG2-O 3.41Å; T1541-G1543 CarbonylContact C-O 3.56Å; T1541-G1543 PolarHBondContact O-N 3.46Å; T1541-G1543 PolarHBondContact OG1-O 2.98Å |
| 1544 | K | 76.4 | Confident | 84.6 | Confident | 192 Ų | 192 | 36.2 Ų | 36.2 | 84% | 0.835 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -65.4 | 137.3 | -179.3 | -72.2 | -163.5 | 172.7 | -163.5 | 0 | 111.6 | ||
| 1545 | P | 76.9 | Confident | 84.4 | Confident | 41 Ų | 41 | 36.8 Ų | 36.8 | 27% | 0.266 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -60.2 | 150.9 | 174.5 | 25.7 | -35.1 | 0 | 0 | 0 | 112.3 | T1541 V1549 A1550 L1553 | T1541-P1545 HydrophobicContact CG2-CB 4.22Å; P1545-V1549 HydrophobicContact CB-CB 3.84Å; P1545-V1549 HydrophobicContact CB-CG1 3.53Å; P1545-A1550 HydrophobicContact CB-CB 4.04Å; P1545-A1550 HydrophobicContact CG-CB 3.95Å; P1545-L1553 HydrophobicContact CB-CD1 4.25Å |
| 1546 | T | 78.9 | Confident | 84.4 | Confident | 83 Ų | 83 | 36 Ų | 36 | 51% | 0.509 | 19% | 0.187 | S | C | . | . | P | Polyproline II helix | trans | -78.8 | 172.1 | 171.2 | 60.6 | 0 | 0 | 0 | 0 | 111.3 | L1548 V1549 A1550 | T1546-L1548 VanDerWaalsContact C-N 3.34Å; T1546-L1548 PolarHBondContact O-N 3.16Å; T1546-V1549 PolarHBondContact O-N 2.73Å; T1546-V1549 VanDerWaalsContact O-N 3.13Å; T1546-V1549 WeakPolarHBondContact OG1-CG2 3.09Å; T1546-A1550 WeakPolarHBondContact O-CB 3.49Å; T1546-A1550 PolarHBondContact O-N 3.42Å |
| 1547 | E | 65 | Low | 84.2 | Confident | 121 Ų | 121 | 38.9 Ų | 38.9 | 57% | 0.565 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -51.9 | -46.6 | -174.2 | -169.6 | 172.3 | 153.3 | 0 | 0 | 112.9 | K1327 D1551 | K1327-E1547 IonicContact NZ-OE1 3.21Å; K1327-E1547 PolarHBondContact NZ-OE1 2.97Å; K1327-E1547 IonicContact NZ-OE2 2.85Å; E1547-D1551 WeakPolarHBondContact O-CB 3.04Å; E1547-D1551 PolarHBondContact O-N 3.21Å |
| 1548 | L | 77.6 | Confident | 84 | Confident | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -75 | -37.8 | 177.5 | 177.2 | 55.1 | 0 | 0 | 0 | 113.4 | E1333 I1335 Y1354 R1361 I1363 T1546 A1550 D1551 F1552 | E1333-L1548 HydrophobicContact CB-CD2 3.6Å; E1333-L1548 WeakPolarHBondContact O-CD2 3.3Å; I1335-L1548 HydrophobicContact CD1-CG 4.11Å; I1335-L1548 HydrophobicContact CG1-CD2 4.21Å; I1335-L1548 HydrophobicContact CG1-CG 4.19Å; I1335-L1548 HydrophobicContact CG2-CB 4.42Å; I1335-L1548 HydrophobicContact CG2-CD2 3.9Å; I1335-L1548 HydrophobicContact CG2-CG 4.12Å; Y1354-L1548 HydrophobicContact CE1-CD1 3.99Å; Y1354-L1548 WeakPolarHBondContact OH-CD1 3.27Å; R1361-L1548 HydrophobicContact CB-CD1 3.93Å; R1361-L1548 HydrophobicContact CB-CD2 4.44Å; R1361-L1548 HydrophobicContact CG-CD1 3.93Å; R1361-L1548 HydrophobicContact CG-CD2 4.46Å; I1363-L1548 HydrophobicContact CD1-CD1 4.38Å; T1546-L1548 VanDerWaalsContact C-N 3.34Å; T1546-L1548 PolarHBondContact O-N 3.16Å; L1548-A1550 PolarHBondContact O-N 2.79Å; L1548-D1551 PolarHBondContact O-N 3.18Å; L1548-F1552 PolarHBondContact O-N 3.06Å; L1548-F1552 VanDerWaalsContact O-N 3.08Å |
| 1549 | V | 85.3 | Confident | 83.3 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 179.1 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | I1335 E1383 I1384 T1541 P1545 T1546 D1551 F1552 L1553 | I1335-V1549 HydrophobicContact CB-CG2 4.44Å; I1335-V1549 HydrophobicContact CD1-CB 4.32Å; I1335-V1549 HydrophobicContact CD1-CG2 3.76Å; I1335-V1549 HydrophobicContact CG2-CG2 3.96Å; E1383-V1549 HydrophobicContact CB-CG2 3.71Å; E1383-V1549 HydrophobicContact CG-CG2 4.34Å; I1384-V1549 HydrophobicContact CD1-CG1 3.96Å; I1384-V1549 HydrophobicContact CG1-CG1 3.71Å; I1384-V1549 HydrophobicContact CG1-CG2 4.46Å; T1541-V1549 HydrophobicContact CG2-CG1 3.57Å; P1545-V1549 HydrophobicContact CB-CB 3.84Å; P1545-V1549 HydrophobicContact CB-CG1 3.53Å; T1546-V1549 PolarHBondContact O-N 2.73Å; T1546-V1549 VanDerWaalsContact O-N 3.13Å; T1546-V1549 WeakPolarHBondContact OG1-CG2 3.09Å; V1549-D1551 VanDerWaalsContact C-N 3.34Å; V1549-F1552 PolarHBondContact O-N 3.17Å; V1549-L1553 HydrophobicContact CG1-CD1 3.89Å; V1549-L1553 VanDerWaalsContact O-CG 3.32Å; V1549-L1553 WeakPolarHBondContact O-CG 3.35Å; V1549-L1553 PolarHBondContact O-N 3.48Å |
| 1550 | A | 79.1 | Confident | 82.6 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 20% | 0.198 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1545 T1546 L1548 L1553 D1554 | P1545-A1550 HydrophobicContact CB-CB 4.04Å; P1545-A1550 HydrophobicContact CG-CB 3.95Å; T1546-A1550 WeakPolarHBondContact O-CB 3.49Å; T1546-A1550 PolarHBondContact O-N 3.42Å; L1548-A1550 PolarHBondContact O-N 2.79Å; A1550-L1553 PolarHBondContact O-N 2.98Å; A1550-D1554 WeakPolarHBondContact O-CB 3.42Å; A1550-D1554 PolarHBondContact O-N 2.97Å |
| 1551 | D | 78.2 | Confident | 82.1 | Confident | 45 Ų | 45 | 48.4 Ų | 48.4 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69 | -32.8 | -179.9 | -158.1 | 66.3 | 0 | 0 | 0 | 112.5 | Y1354 R1361 E1547 L1548 V1549 Y1555 | Y1354-D1551 PolarHBondContact OH-OD2 2.94Å; R1361-D1551 IonicContact NH1-OD2 3.85Å; R1361-D1551 PolarHBondContact NH1-OD2 2.85Å; E1547-D1551 WeakPolarHBondContact O-CB 3.04Å; E1547-D1551 PolarHBondContact O-N 3.21Å; L1548-D1551 PolarHBondContact O-N 3.18Å; V1549-D1551 VanDerWaalsContact C-N 3.34Å; D1551-Y1555 WeakPolarHBondContact O-CB 3.36Å; D1551-Y1555 PolarHBondContact O-N 2.85Å; D1551-Y1555 VanDerWaalsContact O-N 3.16Å |
| 1552 | F | 90.2 | Very high | 81.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73 | -38.9 | 171.8 | -177.1 | -126.1 | 0 | 0 | 0 | 112.8 | V1347 V1350 A1351 Y1354 I1363 I1384 M1539 L1548 V1549 Y1555 M1556 | V1347-F1552 HydrophobicContact CG1-CE1 4.2Å; V1347-F1552 HydrophobicContact CG1-CZ 4.24Å; V1350-F1552 HydrophobicContact CG1-CE2 3.88Å; V1350-F1552 HydrophobicContact CG1-CZ 4.32Å; A1351-F1552 HydrophobicContact CB-CE2 4.15Å; A1351-F1552 HydrophobicContact CB-CZ 3.91Å; Y1354-F1552 HydrophobicContact CD1-CD2 4.07Å; Y1354-F1552 AromaticContact CD2-CD2 4Å; Y1354-F1552 HydrophobicContact CD2-CD2 4Å; Y1354-F1552 AromaticContact CG-CD2 3.7Å; Y1354-F1552 HydrophobicContact CG-CD2 3.7Å; Y1354-F1552 HydrophobicContact CG-CE2 4.3Å; I1363-F1552 HydrophobicContact CD1-CB 4.21Å; I1363-F1552 HydrophobicContact CD1-CD1 4.4Å; I1363-F1552 HydrophobicContact CD1-CD2 4.23Å; I1363-F1552 HydrophobicContact CD1-CG 4.03Å; I1363-F1552 HydrophobicContact CG1-CD2 4.17Å; I1363-F1552 HydrophobicContact CG1-CE2 4.33Å; I1363-F1552 HydrophobicContact CG1-CG 4.41Å; I1363-F1552 HydrophobicContact CG2-CD1 4.08Å; I1363-F1552 HydrophobicContact CG2-CE1 3.67Å; I1363-F1552 HydrophobicContact CG2-CE2 4.23Å; I1363-F1552 HydrophobicContact CG2-CZ 3.77Å; I1384-F1552 HydrophobicContact CD1-CD1 3.78Å; I1384-F1552 HydrophobicContact CD1-CE1 4.34Å; M1539-F1552 HydrophobicContact CE-CD1 4.04Å; M1539-F1552 HydrophobicContact CE-CE1 3.76Å; L1548-F1552 PolarHBondContact O-N 3.06Å; L1548-F1552 VanDerWaalsContact O-N 3.08Å; V1549-F1552 PolarHBondContact O-N 3.17Å; F1552-Y1555 WeakPolarHBondContact O-CB 3.4Å; F1552-Y1555 PolarHBondContact O-N 2.73Å; F1552-M1556 HydrophobicContact CE1-CE 4.08Å; F1552-M1556 HydrophobicContact CE2-CE 4.48Å; F1552-M1556 HydrophobicContact CZ-CE 3.77Å; F1552-M1556 PolarHBondContact O-N 2.76Å |
| 1553 | L | 89.7 | Confident | 81.4 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.9 | -46.9 | 175.4 | -73.5 | 165.6 | 0 | 0 | 0 | 112.3 | H1405 M1539 T1541 P1545 V1549 A1550 Y1555 M1556 L1557 | H1405-L1553 HydrophobicContact CB-CD2 3.97Å; M1539-L1553 HydrophobicContact CB-CD2 3.68Å; M1539-L1553 HydrophobicContact CE-CD2 3.62Å; M1539-L1553 HydrophobicContact CG-CD2 4.35Å; T1541-L1553 HydrophobicContact CG2-CD1 3.85Å; P1545-L1553 HydrophobicContact CB-CD1 4.25Å; V1549-L1553 HydrophobicContact CG1-CD1 3.89Å; V1549-L1553 VanDerWaalsContact O-CG 3.32Å; V1549-L1553 WeakPolarHBondContact O-CG 3.35Å; V1549-L1553 PolarHBondContact O-N 3.48Å; A1550-L1553 PolarHBondContact O-N 2.98Å; L1553-Y1555 PolarHBondContact O-N 2.85Å; L1553-M1556 PolarHBondContact O-N 2.79Å; L1553-M1556 VanDerWaalsContact O-N 3.12Å; L1553-L1557 PolarHBondContact O-N 2.85Å |
| 1554 | D | 84.5 | Confident | 81.3 | Confident | 64 Ų | 64 | 47.9 Ų | 47.9 | 34% | 0.342 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.7 | -32.8 | 174.6 | -79 | -9.7 | 0 | 0 | 0 | 111.1 | A1550 S1558 R1657 | A1550-D1554 WeakPolarHBondContact O-CB 3.42Å; A1550-D1554 PolarHBondContact O-N 2.97Å; D1554-S1558 PolarHBondContact O-N 3.23Å; D1554-R1657 IonicContact OD2-CZ 2.85Å; D1554-R1657 IonicContact OD2-NE 3.74Å; D1554-R1657 IonicContact OD2-NH2 3.46Å; D1554-R1657 PolarHBondContact OD2-NH2 3.28Å |
| 1555 | Y | 86.5 | Confident | 81.6 | Confident | 15 Ų | 15 | 39.3 Ų | 39.3 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.3 | -45.1 | 172.5 | -178.5 | -105.4 | 0 | 0 | 0 | 112.3 | V1350 E1353 Y1354 K1357 D1551 F1552 L1553 L1557 S1558 V1561 | V1350-Y1555 HydrophobicContact CG1-CD1 3.65Å; V1350-Y1555 HydrophobicContact CG1-CE1 3.77Å; E1353-Y1555 WeakPolarHBondContact CG-OH 3.39Å; E1353-Y1555 PolarHBondContact OE2-OH 3.17Å; Y1354-Y1555 AromaticContact CD2-CD1 3.78Å; Y1354-Y1555 HydrophobicContact CD2-CD1 3.78Å; Y1354-Y1555 HydrophobicContact CD2-CD2 4.42Å; Y1354-Y1555 AromaticContact CD2-CG 3.71Å; Y1354-Y1555 HydrophobicContact CD2-CG 3.71Å; Y1354-Y1555 HydrophobicContact CG-CD1 4.26Å; K1357-Y1555 HydrophobicContact CD-CE2 3.9Å; K1357-Y1555 WeakPolarHBondContact CD-OH 3.48Å; K1357-Y1555 WeakPolarHBondContact CE-OH 3.35Å; K1357-Y1555 PolarHBondContact NZ-OH 2.82Å; D1551-Y1555 WeakPolarHBondContact O-CB 3.36Å; D1551-Y1555 PolarHBondContact O-N 2.85Å; D1551-Y1555 VanDerWaalsContact O-N 3.16Å; F1552-Y1555 WeakPolarHBondContact O-CB 3.4Å; F1552-Y1555 PolarHBondContact O-N 2.73Å; L1553-Y1555 PolarHBondContact O-N 2.85Å; Y1555-L1557 PolarHBondContact O-N 3.08Å; Y1555-S1558 VanDerWaalsContact O-CB 3.28Å; Y1555-S1558 WeakPolarHBondContact O-CB 3.47Å; Y1555-S1558 PolarHBondContact O-N 3.41Å; Y1555-S1558 VanDerWaalsContact O-N 3.07Å; Y1555-S1558 PolarHBondContact O-OG 3.41Å; Y1555-V1561 HydrophobicContact CD1-CG2 4.01Å; Y1555-V1561 HydrophobicContact CE1-CG2 3.57Å; Y1555-V1561 HydrophobicContact CE2-CG2 4.26Å; Y1555-V1561 VanDerWaalsContact O-CG2 3.27Å; Y1555-V1561 WeakPolarHBondContact O-CG2 3.42Å |
| 1556 | M | 86.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.9 | -28.4 | 177.2 | -169 | 170.9 | -73.4 | 0 | 0 | 113.1 | V1347 V1350 V1407 M1539 F1552 L1553 V1561 Q1562 | V1347-M1556 HydrophobicContact CB-CE 4.33Å; V1347-M1556 HydrophobicContact CG1-CE 4.23Å; V1347-M1556 HydrophobicContact CG2-CE 4.19Å; V1350-M1556 HydrophobicContact CB-CE 3.89Å; V1350-M1556 HydrophobicContact CG1-CB 3.98Å; V1350-M1556 HydrophobicContact CG1-CE 3.73Å; V1350-M1556 HydrophobicContact CG1-CG 4.11Å; V1350-M1556 HydrophobicContact CG2-CE 4.42Å; V1407-M1556 HydrophobicContact CB-CG 4.04Å; V1407-M1556 HydrophobicContact CB-SD 3.73Å; V1407-M1556 HydrophobicContact CG1-CB 4.49Å; V1407-M1556 HydrophobicContact CG1-CG 4.01Å; V1407-M1556 HydrophobicContact CG1-SD 3.69Å; V1407-M1556 HydrophobicContact CG2-SD 3.87Å; M1539-M1556 HydrophobicContact CE-CE 3.76Å; M1539-M1556 HydrophobicContact CE-SD 3.82Å; M1539-M1556 HydrophobicContact CG-SD 4.16Å; M1539-M1556 HydrophobicContact SD-CE 4.29Å; M1539-M1556 HydrophobicContact SD-SD 4.21Å; F1552-M1556 HydrophobicContact CE1-CE 4.08Å; F1552-M1556 HydrophobicContact CE2-CE 4.48Å; F1552-M1556 HydrophobicContact CZ-CE 3.77Å; F1552-M1556 PolarHBondContact O-N 2.76Å; L1553-M1556 PolarHBondContact O-N 2.79Å; L1553-M1556 VanDerWaalsContact O-N 3.12Å; M1556-V1561 HydrophobicContact CG-CG1 4.4Å; M1556-V1561 VanDerWaalsContact O-CG1 3.24Å; M1556-V1561 WeakPolarHBondContact O-CG1 3.5Å; M1556-Q1562 PolarHBondContact O-NE2 3.23Å |
| 1557 | L | 86.6 | Confident | 81.9 | Confident | 69 Ų | 69 | 35.9 Ų | 35.9 | 36% | 0.361 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -0.8 | 175.3 | -73.3 | 174.1 | 0 | 0 | 0 | 114.7 | K1406 V1407 L1553 Y1555 | K1406-L1557 WeakPolarHBondContact O-CD2 3.31Å; V1407-L1557 HydrophobicContact CG1-CD2 4.41Å; V1407-L1557 HydrophobicContact CG1-CG 4.44Å; L1553-L1557 PolarHBondContact O-N 2.85Å; Y1555-L1557 PolarHBondContact O-N 3.08Å |
| 1558 | S | 84.8 | Confident | 82.4 | Confident | 32 Ų | 32 | 37.7 Ų | 37.7 | 22% | 0.224 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -68.9 | 148.3 | 179.4 | 69.5 | 0 | 0 | 0 | 0 | 112.4 | D1554 Y1555 E1560 V1561 Q1562 | D1554-S1558 PolarHBondContact O-N 3.23Å; Y1555-S1558 VanDerWaalsContact O-CB 3.28Å; Y1555-S1558 WeakPolarHBondContact O-CB 3.47Å; Y1555-S1558 PolarHBondContact O-N 3.41Å; Y1555-S1558 VanDerWaalsContact O-N 3.07Å; Y1555-S1558 PolarHBondContact O-OG 3.41Å; S1558-E1560 PolarHBondContact O-N 3.48Å; S1558-V1561 PolarHBondContact O-N 2.73Å; S1558-V1561 PolarHBondContact OG-N 2.9Å; S1558-Q1562 WeakPolarHBondContact O-CB 3.45Å; S1558-Q1562 WeakPolarHBondContact O-CG 3.49Å; S1558-Q1562 PolarHBondContact O-N 3.14Å |
| 1559 | D | 77.7 | Confident | 82.3 | Confident | 136 Ų | 136 | 40.1 Ų | 40.1 | 73% | 0.727 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -55.6 | -23.1 | 175.3 | -66.5 | -40.1 | 0 | 0 | 0 | 113.2 | G1563 | D1559-G1563 WeakPolarHBondContact O-CA 3.48Å; D1559-G1563 PolarHBondContact O-N 2.8Å |
| 1560 | E | 75.9 | Confident | 81.8 | Confident | 46 Ų | 46 | 41.3 Ų | 41.3 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.4 | -49.2 | 173.6 | 177.4 | 169.2 | -133.6 | 0 | 0 | 112.1 | F906 K1357 S1558 K1564 | F906-E1560 WeakPolarHBondContact CD2-OE1 3.48Å; F906-E1560 WeakPolarHBondContact CE2-OE1 3.44Å; F906-E1560 WeakPolarHBondContact CG-OE1 3.49Å; F906-E1560 WeakPolarHBondContact CZ-OE1 3.04Å; K1357-E1560 IonicContact NZ-OE1 3.2Å; K1357-E1560 PolarHBondContact NZ-OE1 3.08Å; K1357-E1560 VanDerWaalsContact NZ-OE1 3.07Å; K1357-E1560 IonicContact NZ-OE2 2.79Å; K1357-E1560 PolarHBondContact NZ-OE2 3.01Å; S1558-E1560 PolarHBondContact O-N 3.48Å; E1560-K1564 VanDerWaalsContact O-CB 3.23Å; E1560-K1564 WeakPolarHBondContact O-CB 3.35Å; E1560-K1564 PolarHBondContact O-N 2.82Å; E1560-K1564 VanDerWaalsContact O-N 3.1Å; E1560-K1564 IonicContact OE1-NZ 3.84Å |
| 1561 | V | 84.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -73.4 | -45.7 | 177.3 | 170 | 0 | 0 | 0 | 0 | 110.6 | V1350 Y1555 M1556 S1558 V1565 V1566 | V1350-V1561 HydrophobicContact CG1-CG1 4.24Å; V1350-V1561 HydrophobicContact CG1-CG2 4.18Å; V1350-V1561 HydrophobicContact CG2-CG1 3.49Å; V1350-V1561 VanDerWaalsContact CG2-CG1 3.49Å; V1350-V1561 HydrophobicContact CG2-CG2 4.34Å; Y1555-V1561 HydrophobicContact CD1-CG2 4.01Å; Y1555-V1561 HydrophobicContact CE1-CG2 3.57Å; Y1555-V1561 HydrophobicContact CE2-CG2 4.26Å; Y1555-V1561 VanDerWaalsContact O-CG2 3.27Å; Y1555-V1561 WeakPolarHBondContact O-CG2 3.42Å; M1556-V1561 HydrophobicContact CG-CG1 4.4Å; M1556-V1561 VanDerWaalsContact O-CG1 3.24Å; M1556-V1561 WeakPolarHBondContact O-CG1 3.5Å; S1558-V1561 PolarHBondContact O-N 2.73Å; S1558-V1561 PolarHBondContact OG-N 2.9Å; V1561-V1565 HydrophobicContact CG1-CB 4.24Å; V1561-V1565 WeakPolarHBondContact O-CA 3.49Å; V1561-V1565 PolarHBondContact O-N 3.5Å; V1561-V1566 HydrophobicContact CG1-CG2 4.03Å; V1561-V1566 WeakPolarHBondContact O-CG2 3.38Å; V1561-V1566 PolarHBondContact O-N 3.33Å |
| 1562 | Q | 88 | Confident | 82.6 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -61.4 | -50.9 | 178.2 | -66.8 | -67 | -59.2 | 0 | 0 | 111.5 | V1407 M1556 S1558 V1566 S1567 P1573 | V1407-Q1562 PolarHBondContact O-NE2 2.91Å; M1556-Q1562 PolarHBondContact O-NE2 3.23Å; S1558-Q1562 WeakPolarHBondContact O-CB 3.45Å; S1558-Q1562 WeakPolarHBondContact O-CG 3.49Å; S1558-Q1562 PolarHBondContact O-N 3.14Å; Q1562-V1566 WeakPolarHBondContact O-CB 3.15Å; Q1562-S1567 PolarHBondContact O-OG 2.99Å; Q1562-P1573 HydrophobicContact CB-CB 4.27Å; Q1562-P1573 WeakPolarHBondContact O-CG 3.35Å |
| 1563 | G | 75.2 | Confident | 82.5 | Confident | 48 Ų | 48 | 39 Ų | 39 | 50% | 0.495 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -85 | -8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116 | D1559 | D1559-G1563 WeakPolarHBondContact O-CA 3.48Å; D1559-G1563 PolarHBondContact O-N 2.8Å |
| 1564 | K | 79.5 | Confident | 82.3 | Confident | 74 Ų | 74 | 41 Ų | 41 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -118.8 | -68.4 | 171.5 | -57.9 | 176.1 | -175.3 | 167.3 | 0 | 112 | E1560 Q1568 | E1560-K1564 VanDerWaalsContact O-CB 3.23Å; E1560-K1564 WeakPolarHBondContact O-CB 3.35Å; E1560-K1564 PolarHBondContact O-N 2.82Å; E1560-K1564 VanDerWaalsContact O-N 3.1Å; E1560-K1564 IonicContact OE1-NZ 3.84Å; K1564-Q1568 WeakPolarHBondContact O-CB 3.42Å; K1564-Q1568 WeakPolarHBondContact O-CG 3.36Å; K1564-Q1568 PolarHBondContact O-N 3.34Å |
| 1565 | V | 81.7 | Confident | 82 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 7% | 0.073 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -69.2 | -47 | -165.9 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | L1346 T1349 V1350 V1561 Q1568 L1569 | L1346-V1565 HydrophobicContact CD1-CG1 4.17Å; T1349-V1565 HydrophobicContact CG2-CG1 3.68Å; V1350-V1565 HydrophobicContact CG2-CB 4.48Å; V1350-V1565 HydrophobicContact CG2-CG1 3.87Å; V1561-V1565 HydrophobicContact CG1-CB 4.24Å; V1561-V1565 WeakPolarHBondContact O-CA 3.49Å; V1561-V1565 PolarHBondContact O-N 3.5Å; V1565-Q1568 PolarHBondContact O-N 2.65Å; V1565-L1569 HydrophobicContact CG1-CD1 3.99Å; V1565-L1569 WeakPolarHBondContact O-CB 3.47Å; V1565-L1569 WeakPolarHBondContact O-CG 3.4Å; V1565-L1569 PolarHBondContact O-N 3.13Å |
| 1566 | V | 84.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -59.4 | -52.8 | 176.8 | 169.6 | 0 | 0 | 0 | 0 | 109.8 | L1346 A1408 V1561 Q1562 Q1568 L1569 G1570 Y1571 | L1346-V1566 HydrophobicContact CD1-CG2 3.81Å; L1346-V1566 HydrophobicContact CD2-CG2 4.36Å; A1408-V1566 HydrophobicContact CB-CG1 3.99Å; V1561-V1566 HydrophobicContact CG1-CG2 4.03Å; V1561-V1566 WeakPolarHBondContact O-CG2 3.38Å; V1561-V1566 PolarHBondContact O-N 3.33Å; Q1562-V1566 WeakPolarHBondContact O-CB 3.15Å; V1566-Q1568 PolarHBondContact O-N 3.14Å; V1566-L1569 PolarHBondContact O-N 3.14Å; V1566-G1570 PolarHBondContact O-N 3.46Å; V1566-Y1571 CarbonylContact C-O 3.55Å; V1566-Y1571 VanDerWaalsContact CG1-CB 3.5Å; V1566-Y1571 WeakPolarHBondContact O-CB 3.33Å; V1566-Y1571 PolarHBondContact O-N 2.95Å |
| 1567 | S | 78.6 | Confident | 81.9 | Confident | 52 Ų | 52 | 46.6 Ų | 46.6 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 176.2 | -49 | 0 | 0 | 0 | 0 | 114 | Q1562 L1569 G1570 Y1571 | Q1562-S1567 PolarHBondContact O-OG 2.99Å; S1567-L1569 VanDerWaalsContact C-N 3.31Å; S1567-L1569 PolarHBondContact O-N 3.22Å; S1567-G1570 PolarHBondContact O-N 3.48Å; S1567-Y1571 WeakPolarHBondContact CA-O 3.45Å |
| 1568 | Q | 74.7 | Confident | 81.5 | Confident | 158 Ų | 158 | 48.3 Ų | 48.3 | 74% | 0.738 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -68.2 | -30.3 | 178.2 | -79 | 173 | 18 | 0 | 0 | 112.8 | K1564 V1565 V1566 G1570 | K1564-Q1568 WeakPolarHBondContact O-CB 3.42Å; K1564-Q1568 WeakPolarHBondContact O-CG 3.36Å; K1564-Q1568 PolarHBondContact O-N 3.34Å; V1565-Q1568 PolarHBondContact O-N 2.65Å; V1566-Q1568 PolarHBondContact O-N 3.14Å; Q1568-G1570 PolarHBondContact O-N 2.68Å |
| 1569 | L | 76.1 | Confident | 81.1 | Confident | 58 Ų | 58 | 47 Ų | 47 | 30% | 0.304 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 4.5 | 172.4 | -66.4 | 173.3 | 0 | 0 | 0 | 112.7 | L1346 S1505 V1565 V1566 S1567 Y1571 | L1346-L1569 HydrophobicContact CB-CD1 3.92Å; L1346-L1569 HydrophobicContact CD1-CD1 3.82Å; L1346-L1569 HydrophobicContact CG-CD1 4.49Å; S1505-L1569 WeakPolarHBondContact CB-O 3.43Å; V1565-L1569 HydrophobicContact CG1-CD1 3.99Å; V1565-L1569 WeakPolarHBondContact O-CB 3.47Å; V1565-L1569 WeakPolarHBondContact O-CG 3.4Å; V1565-L1569 PolarHBondContact O-N 3.13Å; V1566-L1569 PolarHBondContact O-N 3.14Å; S1567-L1569 VanDerWaalsContact C-N 3.31Å; S1567-L1569 PolarHBondContact O-N 3.22Å; L1569-Y1571 HydrophobicContact CB-CD2 3.88Å; L1569-Y1571 HydrophobicContact CB-CE2 4.27Å |
| 1570 | G | 74 | Confident | 81 | Confident | 27 Ų | 27 | 44.1 Ų | 44.1 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 26.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1566 S1567 Q1568 | V1566-G1570 PolarHBondContact O-N 3.46Å; S1567-G1570 PolarHBondContact O-N 3.48Å; Q1568-G1570 PolarHBondContact O-N 2.68Å |
| 1571 | Y | 87.1 | Confident | 81.1 | Confident | 17 Ų | 17 | 42.4 Ų | 42.4 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -97.7 | 153.2 | 169.1 | -70.9 | -78.9 | 0 | 0 | 0 | 110.9 | A1342 L1346 A1408 V1410 E1537 V1566 S1567 L1569 | A1342-Y1571 PolarHBondContact O-OH 3.31Å; L1346-Y1571 HydrophobicContact CB-CE2 4.18Å; L1346-Y1571 HydrophobicContact CD2-CD2 4.18Å; L1346-Y1571 HydrophobicContact CD2-CE2 4.22Å; A1408-Y1571 HydrophobicContact CB-CD1 4.22Å; A1408-Y1571 HydrophobicContact CB-CG 4.26Å; V1410-Y1571 HydrophobicContact CB-CD1 4.01Å; V1410-Y1571 HydrophobicContact CB-CE1 3.97Å; V1410-Y1571 HydrophobicContact CG2-CD1 4.29Å; V1410-Y1571 HydrophobicContact CG2-CE1 4.06Å; E1537-Y1571 HydrophobicContact CG-CD1 4.11Å; E1537-Y1571 HydrophobicContact CG-CE1 3.63Å; E1537-Y1571 VanDerWaalsContact OE1-CE1 3.23Å; E1537-Y1571 WeakPolarHBondContact OE1-CE1 3.44Å; E1537-Y1571 PolarHBondContact OE1-OH 3.04Å; V1566-Y1571 CarbonylContact C-O 3.55Å; V1566-Y1571 VanDerWaalsContact CG1-CB 3.5Å; V1566-Y1571 WeakPolarHBondContact O-CB 3.33Å; V1566-Y1571 PolarHBondContact O-N 2.95Å; S1567-Y1571 WeakPolarHBondContact CA-O 3.45Å; L1569-Y1571 HydrophobicContact CB-CD2 3.88Å; L1569-Y1571 HydrophobicContact CB-CE2 4.27Å |
| 1572 | I | 87.8 | Confident | 80.6 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -88.6 | 129.3 | 177.3 | -61.8 | 171.6 | 0 | 0 | 0 | 108.6 | V1409 D1523 V1526 T1527 M1577 | V1409-I1572 HydrophobicContact CB-CB 3.99Å; V1409-I1572 HydrophobicContact CB-CG2 4.36Å; V1409-I1572 HydrophobicContact CG1-CB 4.1Å; V1409-I1572 HydrophobicContact CG1-CD1 4.3Å; V1409-I1572 HydrophobicContact CG1-CG2 4.45Å; V1409-I1572 PolarHBondContact N-O 2.88Å; V1409-I1572 PolarHBondContact O-N 2.86Å; D1523-I1572 HydrophobicContact CB-CD1 3.96Å; D1523-I1572 HydrophobicContact CB-CG1 3.95Å; D1523-I1572 WeakPolarHBondContact OD1-CD1 3.26Å; D1523-I1572 WeakPolarHBondContact OD1-CG1 3.48Å; V1526-I1572 HydrophobicContact CB-CD1 3.57Å; V1526-I1572 HydrophobicContact CG1-CD1 3.43Å; V1526-I1572 VanDerWaalsContact CG1-CD1 3.43Å; V1526-I1572 HydrophobicContact CG2-CD1 4.06Å; T1527-I1572 HydrophobicContact CG2-CG2 3.61Å; I1572-M1577 HydrophobicContact CG2-SD 4.03Å |
| 1573 | P | 88.2 | Confident | 79.5 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 139 | 175 | -21.4 | 33.6 | 0 | 0 | 0 | 111.8 | Q1562 S1575 E1576 | Q1562-P1573 HydrophobicContact CB-CB 4.27Å; Q1562-P1573 WeakPolarHBondContact O-CG 3.35Å; P1573-S1575 PolarHBondContact O-N 3.02Å; P1573-E1576 HydrophobicContact CB-CG 4.09Å; P1573-E1576 HydrophobicContact CG-CG 4.17Å; P1573-E1576 PolarHBondContact O-N 3.39Å; P1573-E1576 VanDerWaalsContact O-N 3.09Å |
| 1574 | I | 85 | Confident | 78.9 | Confident | 44 Ų | 44 | 52.4 Ų | 52.4 | 23% | 0.226 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -63.2 | -30.8 | 178.1 | -73 | 175.3 | 0 | 0 | 0 | 111.3 | K1406 V1407 V1409 Y1536 E1576 M1577 | K1406-I1574 HydrophobicContact CB-CD1 3.66Å; K1406-I1574 WeakPolarHBondContact O-CD1 3.18Å; V1407-I1574 VanDerWaalsContact C-CD1 3.44Å; V1409-I1574 HydrophobicContact CG2-CG1 4.31Å; Y1536-I1574 HydrophobicContact CD1-CD1 4.41Å; Y1536-I1574 HydrophobicContact CD1-CG1 4.46Å; Y1536-I1574 HydrophobicContact CE1-CG1 4.47Å; I1574-E1576 PolarHBondContact O-N 2.94Å; I1574-M1577 PolarHBondContact O-N 2.78Å |
| 1575 | S | 78.7 | Confident | 77.9 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 61% | 0.608 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -65.2 | -18.7 | 176.3 | 48.2 | 0 | 0 | 0 | 0 | 114.6 | P1573 | P1573-S1575 PolarHBondContact O-N 3.02Š|
| 1576 | E | 84.4 | Confident | 76.3 | Confident | 102 Ų | 102 | 60.5 Ų | 60.5 | 48% | 0.477 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -89.7 | -14.8 | 178.4 | -67.6 | -175.3 | 179.2 | 0 | 0 | 113.3 | T1527 P1573 I1574 K1578 | T1527-E1576 WeakPolarHBondContact CB-O 3.22Å; T1527-E1576 HydrophobicContact CG2-CB 3.88Å; T1527-E1576 WeakPolarHBondContact CG2-O 3.18Å; P1573-E1576 HydrophobicContact CB-CG 4.09Å; P1573-E1576 HydrophobicContact CG-CG 4.17Å; P1573-E1576 PolarHBondContact O-N 3.39Å; P1573-E1576 VanDerWaalsContact O-N 3.09Å; I1574-E1576 PolarHBondContact O-N 2.94Å; E1576-K1578 PolarHBondContact O-N 3.41Å |
| 1577 | M | 85.7 | Confident | 74.6 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 3% | 0.034 | 31% | 0.312 | C | S | . | . | trans | -69.6 | 120.9 | -177.2 | -66.2 | -64.9 | -73.1 | 0 | 0 | 112.1 | V1409 V1526 T1527 W1534 I1572 I1574 V1579 M1590 | V1409-M1577 HydrophobicContact CB-CG 4.48Å; V1409-M1577 HydrophobicContact CB-SD 4.25Å; V1409-M1577 HydrophobicContact CG1-CE 4.08Å; V1409-M1577 HydrophobicContact CG1-SD 3.9Å; V1409-M1577 HydrophobicContact CG2-CE 4.21Å; V1409-M1577 HydrophobicContact CG2-CG 3.89Å; V1409-M1577 HydrophobicContact CG2-SD 4.09Å; V1526-M1577 HydrophobicContact CG1-CE 4.33Å; V1526-M1577 HydrophobicContact CG1-SD 4.27Å; T1527-M1577 HydrophobicContact CG2-SD 3.83Å; W1534-M1577 HydrophobicContact CD2-CE 3.94Å; W1534-M1577 HydrophobicContact CE3-CE 3.84Å; W1534-M1577 HydrophobicContact CH2-CE 3.44Å; W1534-M1577 VanDerWaalsContact CH2-CE 3.44Å; W1534-M1577 HydrophobicContact CZ2-CE 3.52Å; W1534-M1577 HydrophobicContact CZ3-CE 3.6Å; I1572-M1577 HydrophobicContact CG2-SD 4.03Å; I1574-M1577 PolarHBondContact O-N 2.78Å; M1577-V1579 VanDerWaalsContact C-N 3.3Å; M1577-V1579 HydrophobicContact CE-CG2 3.83Å; M1577-M1590 WeakPolarHBondContact O-CE 3.33Å | ||
| 1578 | K | 79.8 | Confident | 73.2 | Confident | 106 Ų | 106 | 67.5 Ų | 67.5 | 46% | 0.461 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -93 | 7.7 | 174.4 | -53.8 | 161.5 | -169.9 | 162.1 | 0 | 111.8 | T1527 T1528 E1576 M1590 | T1527-K1578 WeakPolarHBondContact O-CA 3.35Å; T1527-K1578 VanDerWaalsContact O-CB 3.3Å; T1527-K1578 WeakPolarHBondContact O-CB 3.23Å; T1527-K1578 PolarHBondContact O-N 2.88Å; T1528-K1578 HydrophobicContact CG2-CD 3.82Å; E1576-K1578 PolarHBondContact O-N 3.41Å; K1578-M1590 WeakPolarHBondContact O-CB 3.41Å; K1578-M1590 PolarHBondContact O-N 3.23Å |
| 1579 | V | 75.7 | Confident | 71.9 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 152.7 | 174.4 | -60 | 0 | 0 | 0 | 0 | 110.1 | N1529 W1534 M1577 T1587 R1588 V1589 | N1529-V1579 HydrophobicContact CB-CB 4.33Å; N1529-V1579 HydrophobicContact CB-CG1 3.66Å; N1529-V1579 HydrophobicContact CB-CG2 3.9Å; W1534-V1579 HydrophobicContact CH2-CG2 4.22Å; W1534-V1579 HydrophobicContact CZ2-CG2 3.53Å; M1577-V1579 VanDerWaalsContact C-N 3.3Å; M1577-V1579 HydrophobicContact CE-CG2 3.83Å; V1579-T1587 HydrophobicContact CB-CG2 3.98Å; V1579-T1587 HydrophobicContact CG1-CG2 4.31Å; V1579-T1587 HydrophobicContact CG2-CG2 4.38Å; V1579-R1588 CarbonylContact C-O 3.09Å; V1579-R1588 VanDerWaalsContact CA-O 3.31Å; V1579-R1588 WeakPolarHBondContact CA-O 3.26Å; V1579-V1589 HydrophobicContact CG1-CG1 4.47Å; V1579-V1589 HydrophobicContact CG1-CG2 4.46Å |
| 1580 | E | 76.4 | Confident | 69.9 | Low | 77 Ų | 77 | 65.9 Ų | 65.9 | 36% | 0.36 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 145.6 | 167.1 | 178.1 | 168.5 | -144.3 | 0 | 0 | 110.4 | K1406 Y1536 T1587 R1588 | K1406-E1580 IonicContact NZ-OE1 3.07Å; K1406-E1580 PolarHBondContact NZ-OE1 3.23Å; Y1536-E1580 WeakPolarHBondContact OH-CA 3.29Å; E1580-T1587 CarbonylContact O-C 3.55Å; E1580-T1587 WeakPolarHBondContact O-CA 3.45Å; E1580-R1588 PolarHBondContact N-O 3.49Å; E1580-R1588 PolarHBondContact O-N 2.91Å |
| 1581 | R | 78 | Confident | 67.8 | Low | 10 Ų | 10 | 69.8 Ų | 69.8 | 4% | 0.038 | 34% | 0.335 | C | S | . | . | trans | -114.7 | 145.7 | 165.7 | -73.7 | 177 | -178.7 | 174.9 | 1.7 | 111.4 | K1406 W1469 N1529 K1532 W1534 Y1536 T1587 | K1406-R1581 PolarHBondContact NZ-O 2.69Å; W1469-R1581 VanDerWaalsContact CE2-NH1 3.28Å; N1529-R1581 PolarHBondContact OD1-NH2 2.85Å; K1532-R1581 PolarHBondContact O-NH1 2.9Å; K1532-R1581 PolarHBondContact O-NH2 3.19Å; W1534-R1581 VanDerWaalsContact CE2-CZ 3.45Å; W1534-R1581 HydrophobicContact CH2-CB 3.89Å; W1534-R1581 HydrophobicContact CH2-CG 3.56Å; W1534-R1581 HydrophobicContact CZ2-CB 4.47Å; W1534-R1581 VanDerWaalsContact CZ2-CD 3.41Å; W1534-R1581 HydrophobicContact CZ2-CG 3.64Å; W1534-R1581 VanDerWaalsContact CZ2-NE 3.32Å; W1534-R1581 HydrophobicContact CZ3-CG 4.44Å; W1534-R1581 PolarHBondContact O-NH1 3.16Å; Y1536-R1581 HydrophobicContact CE2-CB 4.16Å; R1581-T1587 HydrophobicContact CG-CG2 4.31Å; R1581-T1587 WeakPolarHBondContact CG-OG1 3.32Å; R1581-T1587 PolarHBondContact NE-OG1 2.97Å | ||
| 1582 | D | 73.6 | Confident | 65.1 | Low | 52 Ų | 52 | 78.9 Ų | 78.9 | 28% | 0.278 | 37% | 0.371 | S | S | . | . | trans | -106.4 | 172.1 | 159.3 | 58.4 | 39.4 | 0 | 0 | 0 | 110.2 | Q1584 E1585 F1586 | D1582-Q1584 PolarHBondContact O-N 3.43Å; D1582-Q1584 WeakPolarHBondContact OD1-CA 3.32Å; D1582-Q1584 PolarHBondContact OD1-N 2.95Å; D1582-E1585 PolarHBondContact O-N 3.09Å; D1582-E1585 PolarHBondContact OD1-N 2.77Å; D1582-F1586 PolarHBondContact OD1-N 2.88Å | ||
| 1583 | W | 65.6 | Low | 62 | Low | 119 Ų | 119 | 86.1 Ų | 86.1 | 45% | 0.451 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -10 | 178.8 | 71.2 | -99.4 | 0 | 0 | 0 | 113.6 | F1390 E1392 E1585 | F1390-W1583 HydrophobicContact CB-CB 4.29Å; F1390-W1583 HydrophobicContact CD1-CB 4.26Å; F1390-W1583 HydrophobicContact CD2-CB 4.25Å; F1390-W1583 HydrophobicContact CG-CB 4.03Å; E1392-W1583 HydrophobicContact CB-CD2 4Å; E1392-W1583 HydrophobicContact CB-CE3 4.49Å; E1392-W1583 HydrophobicContact CB-CG 4Å; E1392-W1583 HydrophobicContact CG-CD2 4.27Å; E1392-W1583 HydrophobicContact CG-CG 4.21Å; E1392-W1583 HydrophobicContact CG-CZ2 4.5Å; E1392-W1583 PolarHBondContact OE1-NE1 3.21Å; W1583-E1585 VanDerWaalsContact C-N 3.29Å |
| 1584 | Q | 61.5 | Low | 58.9 | Low | 91 Ų | 91 | 94.3 Ų | 94.3 | 43% | 0.425 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 23.8 | 177.3 | -60.6 | -164.9 | -16 | 0 | 0 | 112.3 | D1582 F1586 | D1582-Q1584 PolarHBondContact O-N 3.43Å; D1582-Q1584 WeakPolarHBondContact OD1-CA 3.32Å; D1582-Q1584 PolarHBondContact OD1-N 2.95Å; Q1584-F1586 PolarHBondContact O-N 3.27Å |
| 1585 | E | 58.3 | Low | 55.9 | Low | 111 Ų | 111 | 101.3 Ų | 101.3 | 52% | 0.519 | 47% | 0.471 | S | S | . | . | trans | 65.6 | 3.8 | 173 | -54.9 | 178.3 | 166.6 | 0 | 0 | 114.8 | Q1468 W1469 D1582 W1583 T1587 | Q1468-E1585 WeakPolarHBondContact CG-OE1 3.47Å; Q1468-E1585 PolarHBondContact NE2-OE1 2.75Å; W1469-E1585 HydrophobicContact CH2-CB 4.41Å; W1469-E1585 HydrophobicContact CZ2-CB 4.45Å; D1582-E1585 PolarHBondContact O-N 3.09Å; D1582-E1585 PolarHBondContact OD1-N 2.77Å; W1583-E1585 VanDerWaalsContact C-N 3.29Å; E1585-T1587 PolarHBondContact O-N 3.4Å | ||
| 1586 | F | 48.4 | Very low | 53.2 | Low | 145 Ų | 145 | 104.1 Ų | 104.1 | 64% | 0.636 | 48% | 0.484 | S | S | * | . | trans | -73.6 | 90.1 | 177.7 | -93.1 | -84.2 | 0 | 0 | 0 | 110.8 | D1582 Q1584 R1588 | D1582-F1586 PolarHBondContact OD1-N 2.88Å; Q1584-F1586 PolarHBondContact O-N 3.27Å; F1586-R1588 PolarHBondContact O-N 3.37Å | ||
| 1587 | T | 49.9 | Very low | 50.3 | Low | 39 Ų | 39 | 105.1 Ų | 105.1 | 24% | 0.239 | 50% | 0.497 | C | S | . | . | trans | -69.6 | 100.6 | 167.7 | -55.9 | 0 | 0 | 0 | 0 | 109.5 | V1579 E1580 R1581 E1585 | V1579-T1587 HydrophobicContact CB-CG2 3.98Å; V1579-T1587 HydrophobicContact CG1-CG2 4.31Å; V1579-T1587 HydrophobicContact CG2-CG2 4.38Å; E1580-T1587 CarbonylContact O-C 3.55Å; E1580-T1587 WeakPolarHBondContact O-CA 3.45Å; R1581-T1587 HydrophobicContact CG-CG2 4.31Å; R1581-T1587 WeakPolarHBondContact CG-OG1 3.32Å; R1581-T1587 PolarHBondContact NE-OG1 2.97Å; E1585-T1587 PolarHBondContact O-N 3.4Å | ||
| 1588 | R | 49.1 | Very low | 47.3 | Very low | 159 Ų | 159 | 110.2 Ų | 110.2 | 60% | 0.6 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 117.8 | 170.4 | -66.6 | -177.1 | -177.8 | 177.7 | 3.3 | 108.8 | V1579 E1580 F1586 M1590 | V1579-R1588 CarbonylContact C-O 3.09Å; V1579-R1588 VanDerWaalsContact CA-O 3.31Å; V1579-R1588 WeakPolarHBondContact CA-O 3.26Å; E1580-R1588 PolarHBondContact N-O 3.49Å; E1580-R1588 PolarHBondContact O-N 2.91Å; F1586-R1588 PolarHBondContact O-N 3.37Å; R1588-M1590 PolarHBondContact O-N 3.05Å |
| 1589 | V | 46.3 | Very low | 44.5 | Very low | 94 Ų | 94 | 114 Ų | 114 | 57% | 0.57 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 124 | 166.3 | -171.7 | 0 | 0 | 0 | 0 | 108 | V1579 I1591 | V1579-V1589 HydrophobicContact CG1-CG1 4.47Å; V1579-V1589 HydrophobicContact CG1-CG2 4.46Å; V1589-I1591 HydrophobicContact CB-CD1 4.33Å; V1589-I1591 HydrophobicContact CB-CG1 3.78Å; V1589-I1591 HydrophobicContact CG1-CD1 4.4Å; V1589-I1591 HydrophobicContact CG1-CG1 3.55Å; V1589-I1591 PolarHBondContact O-N 3.03Å |
| 1590 | M | 34.9 | Very low | 41.9 | Very low | 89 Ų | 89 | 119.6 Ų | 119.6 | 44% | 0.438 | 59% | 0.588 | S | S | . | * | trans | -78.8 | 72.8 | 173.3 | -67.8 | -143.4 | -69.2 | 0 | 0 | 109.1 | M1577 K1578 R1588 Y1592 | M1577-M1590 WeakPolarHBondContact O-CE 3.33Å; K1578-M1590 WeakPolarHBondContact O-CB 3.41Å; K1578-M1590 PolarHBondContact O-N 3.23Å; R1588-M1590 PolarHBondContact O-N 3.05Å; M1590-Y1592 PolarHBondContact O-N 3.33Å | ||
| 1591 | I | 30.5 | Very low | 39.2 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 56% | 0.559 | 60% | 0.599 | S | S | * | * | trans | -71.6 | 79.8 | -179.9 | -48.8 | 176.9 | 0 | 0 | 0 | 109.9 | V1589 H1593 | V1589-I1591 HydrophobicContact CB-CD1 4.33Å; V1589-I1591 HydrophobicContact CB-CG1 3.78Å; V1589-I1591 HydrophobicContact CG1-CD1 4.4Å; V1589-I1591 HydrophobicContact CG1-CG1 3.55Å; V1589-I1591 PolarHBondContact O-N 3.03Å; I1591-H1593 PolarHBondContact O-N 2.97Å; I1591-H1593 VanDerWaalsContact O-N 3.11Å; I1591-H1593 PolarHBondContact O-ND1 3.04Å | ||
| 1592 | Y | 29.8 | Very low | 36.6 | Very low | 208 Ų | 208 | 130.9 Ų | 130.9 | 82% | 0.816 | 64% | 0.639 | S | S | * | * | trans | -50 | 114.8 | 145.1 | -77.6 | -84.6 | 0 | 0 | 0 | 106.7 | M1590 E1594 | M1590-Y1592 PolarHBondContact O-N 3.33Å; Y1592-E1594 PolarHBondContact O-N 3.04Å | ||
| 1593 | H | 22.4 | Very low | 34.2 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 71% | 0.713 | 66% | 0.664 | S | S | * | * | trans | -59.8 | 103 | -160.5 | -94.5 | 27.1 | 0 | 0 | 0 | 113.8 | I1591 | I1591-H1593 PolarHBondContact O-N 2.97Å; I1591-H1593 VanDerWaalsContact O-N 3.11Å; I1591-H1593 PolarHBondContact O-ND1 3.04Å | ||
| 1594 | E | 22.6 | Very low | 32 | Very low | 175 Ų | 175 | 135 Ų | 135 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | trans | -123.1 | 88 | 168.5 | -158.4 | 161.9 | -138.4 | 0 | 0 | 110.1 | Y1592 | Y1592-E1594 PolarHBondContact O-N 3.04Š| ||
| 1595 | K | 23.5 | Very low | 30.1 | Very low | 190 Ų | 190 | 135 Ų | 135 | 83% | 0.826 | 66% | 0.663 | S | S | * | * | trans | 34.8 | 103.2 | 158.5 | -61.5 | 174.3 | -172.6 | 170.7 | 0 | 118 | ||||
| 1596 | V | 21.6 | Very low | 28.4 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 89% | 0.891 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 131.7 | 147 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 1597 | V | 22.3 | Very low | 27.1 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 75% | 0.745 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 147 | -177.8 | 169.1 | 0 | 0 | 0 | 0 | 109.2 | ||
| 1598 | P | 22.5 | Very low | 25.7 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 74% | 0.74 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 143.5 | -146.9 | 35 | -35.4 | 0 | 0 | 0 | 115.8 | ||
| 1599 | E | 22.4 | Very low | 24.3 | Very low | 184 Ų | 184 | 142.8 Ų | 142.8 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -111 | 164.2 | 159 | -66.8 | 173.8 | 157 | 0 | 0 | 108.9 | ||
| 1600 | C | 21.2 | Very low | 23.2 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | trans | 60.3 | 52.6 | -179.9 | -63.5 | 0 | 0 | 0 | 0 | 116.4 | E1602 | C1600-E1602 PolarHBondContact O-N 3.15Š| ||
| 1601 | K | 19.9 | Very low | 22.4 | Very low | 134 Ų | 134 | 154.2 Ų | 154.2 | 58% | 0.583 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 2.7 | 168 | -161.7 | -168.1 | 168.3 | -152.4 | 0 | 114.3 | P818 Y819 | P818-K1601 WeakPolarHBondContact O-CE 3.28Å; P818-K1601 PolarHBondContact O-NZ 3.35Å; Y819-K1601 PolarHBondContact O-NZ 3.23Å |
| 1602 | E | 21.8 | Very low | 22 | Very low | 189 Ų | 189 | 153.8 Ų | 153.8 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 3.4 | -164.6 | -76.8 | -177.3 | 149.2 | 0 | 0 | 116.5 | C1600 | C1600-E1602 PolarHBondContact O-N 3.15Š|
| 1603 | F | 22.8 | Very low | 21.7 | Very low | 185 Ų | 185 | 152.5 Ų | 152.5 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -90 | -9.7 | 175.5 | -154.5 | -102.2 | 0 | 0 | 0 | 114.6 | ||
| 1604 | I | 21 | Very low | 21.7 | Very low | 74 Ų | 74 | 150.8 Ų | 150.8 | 38% | 0.379 | 76% | 0.761 | S | S | . | * | S | Bend | trans | -109 | -10.4 | -154.7 | -80 | 170.8 | 0 | 0 | 0 | 115.9 | ||
| 1605 | L | 21.9 | Very low | 21.6 | Very low | 89 Ų | 89 | 151.5 Ų | 151.5 | 47% | 0.466 | 77% | 0.765 | S | S | . | * | S | Bend | trans | -110.9 | 5.7 | -179.8 | -76.4 | 176.7 | 0 | 0 | 0 | 117 | W1608 | L1605-W1608 HydrophobicContact CD2-CB 4.41Š|
| 1606 | C | 20.7 | Very low | 21.6 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -99.2 | -0.6 | 162.7 | -148.3 | 0 | 0 | 0 | 0 | 113.9 | W1608 | C1606-W1608 VanDerWaalsContact C-N 3.33Š|
| 1607 | F | 22.3 | Very low | 21.5 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -90.4 | 7.2 | 168 | -142.5 | -92.5 | 0 | 0 | 0 | 113.4 | ||
| 1608 | W | 19.4 | Very low | 21.4 | Very low | 219 Ų | 219 | 149.1 Ų | 149.1 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -112.2 | 2.6 | -173.7 | -118.2 | 57 | 0 | 0 | 0 | 115.8 | L1605 C1606 | L1605-W1608 HydrophobicContact CD2-CB 4.41Å; C1606-W1608 VanDerWaalsContact C-N 3.33Å |
| 1609 | S | 21.6 | Very low | 21.3 | Very low | 98 Ų | 98 | 154.5 Ų | 154.5 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -101.1 | 1.2 | 177 | -155.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1610 | M | 21.5 | Very low | 21.2 | Very low | 187 Ų | 187 | 152.1 Ų | 152.1 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -129.2 | 30.4 | 178.4 | -141.2 | 162.8 | 71.1 | 0 | 0 | 115.4 | ||
| 1611 | W | 19.7 | Very low | 21.1 | Very low | 236 Ų | 236 | 154.2 Ų | 154.2 | 89% | 0.894 | 75% | 0.749 | S | S | * | * | trans | -120.8 | 62.9 | 155.2 | -152.7 | -43.3 | 0 | 0 | 0 | 111.3 | ||||
| 1612 | S | 21.8 | Very low | 21.1 | Very low | 99 Ų | 99 | 153.7 Ų | 153.7 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | -138.3 | 29.4 | 179.4 | 60.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1613 | K | 23.2 | Very low | 21 | Very low | 181 Ų | 181 | 151.2 Ų | 151.2 | 79% | 0.787 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -127.6 | 139.2 | 165.7 | -74.4 | -174 | 176.4 | 177.7 | 0 | 110.6 | ||
| 1614 | T | 22.8 | Very low | 20.8 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | trans | 44.8 | 101.4 | 166.7 | 51.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1615 | Q | 20.3 | Very low | 20.7 | Very low | 190 Ų | 190 | 152.1 Ų | 152.1 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | cis | 53.4 | 66.9 | 25.9 | -149.5 | -173.1 | 45.9 | 0 | 0 | 113.5 | ||||
| 1616 | D | 22.6 | Very low | 20.7 | Very low | 139 Ų | 139 | 151.7 Ų | 151.7 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | -165.1 | 156.2 | 149.3 | -95.8 | -24.8 | 0 | 0 | 0 | 104.1 | ||||
| 1617 | Q | 20.3 | Very low | 20.7 | Very low | 157 Ų | 157 | 152.3 Ų | 152.3 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | cis | -176.3 | -173.4 | -10.6 | -100.8 | -89.7 | 3.2 | 0 | 0 | 104.4 | ||||
| 1618 | V | 20.4 | Very low | 20.8 | Very low | 113 Ų | 113 | 147.8 Ų | 147.8 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | 50 | 81.5 | 164.3 | -160.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1619 | R | 19.4 | Very low | 20.9 | Very low | 227 Ų | 227 | 141.4 Ų | 141.4 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | 49.6 | 77.2 | 84.3 | -63.7 | -178 | 161.2 | -177.9 | -4.1 | 116.7 | |||||
| 1620 | V | 20.6 | Very low | 21.1 | Very low | 135 Ų | 135 | 144 Ų | 144 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -114.2 | 106.9 | 144.9 | -176.9 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1621 | K | 19.4 | Very low | 21.1 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | cis | 73.2 | 91.6 | 29.2 | -145.3 | -173.2 | -174.3 | -168.5 | 0 | 112.9 | ||||
| 1622 | N | 19.3 | Very low | 21.2 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 66% | 0.658 | 75% | 0.751 | S | S | * | * | trans | 68.2 | 67.8 | 158.8 | -57.1 | 14 | 0 | 0 | 0 | 117.7 | I1624 | N1622-I1624 HydrophobicContact CB-CD1 4.24Å; N1622-I1624 HydrophobicContact CB-CG1 4.16Å | ||
| 1623 | V | 19.5 | Very low | 21.2 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | trans | -114.6 | 91.4 | 131.5 | -178.1 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 1624 | I | 19.8 | Very low | 21.2 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | 50.2 | 71.4 | 71.2 | -48.6 | 177.8 | 0 | 0 | 0 | 109.3 | N1622 A1626 | N1622-I1624 HydrophobicContact CB-CD1 4.24Å; N1622-I1624 HydrophobicContact CB-CG1 4.16Å; I1624-A1626 HydrophobicContact CG2-CB 4.18Å; I1624-A1626 PolarHBondContact O-N 3.16Å | |||
| 1625 | I | 18.8 | Very low | 21 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | trans | -58.9 | 99.4 | 145.7 | -60.9 | 171.6 | 0 | 0 | 0 | 104.2 | D1627 | I1625-D1627 PolarHBondContact O-N 3.36Š| ||
| 1626 | A | 21.7 | Very low | 21 | Very low | 81 Ų | 81 | 138 Ų | 138 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | trans | -71.1 | 111.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | I1624 G1628 | I1624-A1626 HydrophobicContact CG2-CB 4.18Å; I1624-A1626 PolarHBondContact O-N 3.16Å; A1626-G1628 PolarHBondContact O-N 2.77Å | ||
| 1627 | D | 21 | Very low | 20.9 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | trans | -58.1 | 106.3 | 179.6 | -89.7 | -62.5 | 0 | 0 | 0 | 110.3 | I1625 C1629 | I1625-D1627 PolarHBondContact O-N 3.36Å; D1627-C1629 HydrophobicContact CB-CB 4.35Å; D1627-C1629 PolarHBondContact O-N 3.47Å | ||
| 1628 | G | 22.7 | Very low | 20.8 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | trans | -71.3 | 48.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1626 | A1626-G1628 PolarHBondContact O-N 2.77Š| ||
| 1629 | C | 23.5 | Very low | 21 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 57% | 0.574 | 74% | 0.738 | S | S | * | * | trans | -139.4 | 100.3 | -176.5 | -90.1 | 0 | 0 | 0 | 0 | 110.5 | D1627 | D1627-C1629 HydrophobicContact CB-CB 4.35Å; D1627-C1629 PolarHBondContact O-N 3.47Å | ||
| 1630 | I | 25.1 | Very low | 21 | Very low | 153 Ų | 153 | 134.3 Ų | 134.3 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | 62.9 | 105.8 | 140.6 | -51.8 | 156.7 | 0 | 0 | 0 | 115.8 | ||||
| 1631 | D | 21.9 | Very low | 20.9 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 81% | 0.807 | 71% | 0.714 | S | S | * | * | -160.9 | 169.1 | 114.8 | -117.2 | -33.1 | 0 | 0 | 0 | 112.9 | |||||
| 1632 | L | 21.2 | Very low | 21 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | trans | 62.7 | 69.8 | 173.8 | -79.1 | 148 | 0 | 0 | 0 | 116.7 | ||||
| 1633 | I | 22.5 | Very low | 21 | Very low | 162 Ų | 162 | 132.1 Ų | 132.1 | 83% | 0.831 | 71% | 0.709 | S | S | * | * | trans | -49 | 140.4 | 134.9 | -64 | 162.4 | 0 | 0 | 0 | 109.1 | ||||
| 1634 | V | 22.3 | Very low | 21.1 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 72% | 0.715 | 70% | 0.695 | S | S | * | * | trans | -123 | 129.2 | 156.1 | 175.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1635 | D | 19.3 | Very low | 21.1 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 66% | 0.663 | 69% | 0.69 | S | S | * | * | trans | 10.6 | 111.4 | 161.9 | -69.5 | -16.8 | 0 | 0 | 0 | 118.1 | ||||
| 1636 | F | 19.7 | Very low | 21.4 | Very low | 182 Ų | 182 | 125.5 Ų | 125.5 | 80% | 0.798 | 69% | 0.686 | S | S | * | * | 76.6 | 143 | 97.6 | -88.9 | -125.9 | 0 | 0 | 0 | 112.8 | |||||
| 1637 | D | 21.1 | Very low | 21.4 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 58% | 0.583 | 68% | 0.681 | S | S | * | * | cis | -145 | 152.5 | 21.3 | -158.3 | -4.1 | 0 | 0 | 0 | 113.1 | ||||
| 1638 | Q | 18.6 | Very low | 21.5 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 62% | 0.621 | 67% | 0.669 | S | S | * | * | trans | 48.1 | 126.5 | 152.8 | -90.9 | 163.9 | 77.1 | 0 | 0 | 122 | ||||
| 1639 | K | 23.7 | Very low | 21.7 | Very low | 177 Ų | 177 | 127.5 Ų | 127.5 | 77% | 0.77 | 66% | 0.664 | S | S | * | * | trans | 80.7 | 125.2 | 158.6 | -55.4 | 162.8 | -173 | 168.9 | 0 | 114.7 | ||||
| 1640 | L | 19.6 | Very low | 21.8 | Very low | 138 Ų | 138 | 129 Ų | 129 | 72% | 0.723 | 67% | 0.666 | S | S | * | * | cis | -161.4 | 138.8 | -1.9 | -154 | 65.7 | 0 | 0 | 0 | 111.3 | ||||
| 1641 | I | 19.6 | Very low | 22 | Very low | 89 Ų | 89 | 126 Ų | 126 | 46% | 0.456 | 65% | 0.648 | S | S | . | * | trans | 48.5 | 131.9 | 143.1 | -71.1 | 175 | 0 | 0 | 0 | 120.1 | Y1054 | Y1054-I1641 HydrophobicContact CD2-CG2 3.96Å; Y1054-I1641 HydrophobicContact CE1-CG2 4.37Å; Y1054-I1641 HydrophobicContact CE2-CG2 3.24Å; Y1054-I1641 VanDerWaalsContact CZ-CG2 3.48Å | ||
| 1642 | F | 19.7 | Very low | 22.2 | Very low | 148 Ų | 148 | 123.6 Ų | 123.6 | 65% | 0.649 | 64% | 0.635 | S | S | * | * | cis | -173.7 | 154.9 | -22.4 | -127.9 | -141.6 | 0 | 0 | 0 | 108.4 | ||||
| 1643 | F | 20.6 | Very low | 22.7 | Very low | 142 Ų | 142 | 122.9 Ų | 122.9 | 62% | 0.623 | 62% | 0.622 | S | S | * | * | trans | 17.6 | 135 | 131.8 | -62.6 | -110.9 | 0 | 0 | 0 | 117.2 | L1052 | L1052-F1643 WeakPolarHBondContact CD2-O 3.44Š| ||
| 1644 | T | 20.8 | Very low | 23.1 | Very low | 88 Ų | 88 | 121.6 Ų | 121.6 | 54% | 0.54 | 61% | 0.613 | S | S | . | * | cis | 179.6 | 166.2 | 30.7 | 2.5 | 0 | 0 | 0 | 0 | 111 | L1052 | L1052-T1644 WeakPolarHBondContact CD1-O 3.39Å; L1052-T1644 VanDerWaalsContact CD2-N 3.31Å; L1052-T1644 WeakPolarHBondContact CD2-O 2.97Å | ||
| 1645 | G | 20.9 | Very low | 23.4 | Very low | 49 Ų | 49 | 117.4 Ų | 117.4 | 51% | 0.505 | 59% | 0.586 | S | S | . | * | trans | 113.8 | 116.8 | 145.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1646 | N | 24.2 | Very low | 23.9 | Very low | 137 Ų | 137 | 115.3 Ų | 115.3 | 73% | 0.733 | 57% | 0.573 | S | S | * | * | trans | 42.9 | 132.4 | 145.9 | -47.2 | -5.8 | 0 | 0 | 0 | 120.1 | ||||
| 1647 | Q | 21.6 | Very low | 24.3 | Very low | 118 Ų | 118 | 112 Ų | 112 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | cis | 60.2 | 131.6 | 48.4 | -64.2 | -173.2 | -29.9 | 0 | 0 | 114.1 | ||||
| 1648 | Q | 24.1 | Very low | 25.1 | Very low | 103 Ų | 103 | 108.8 Ų | 108.8 | 48% | 0.481 | 54% | 0.543 | S | S | . | . | cis | -160.4 | 168.5 | -2.2 | -136.1 | 168.4 | -45.7 | 0 | 0 | 109.4 | F1651 | Q1648-F1651 HydrophobicContact CG-CD1 4.02Š| ||
| 1649 | T | 25.2 | Very low | 25.7 | Very low | 122 Ų | 122 | 107.4 Ų | 107.4 | 75% | 0.748 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 66.7 | 145.6 | -170.3 | 67.7 | 0 | 0 | 0 | 0 | 115 | F1651 | T1649-F1651 PolarHBondContact O-N 2.88Š|
| 1650 | D | 27.5 | Very low | 26.2 | Very low | 116 Ų | 116 | 103.8 Ų | 103.8 | 62% | 0.62 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 55.5 | -28.6 | -148.9 | -158.1 | 11.3 | 0 | 0 | 0 | 114.4 | D1652 Y1653 E1654 | D1650-D1652 PolarHBondContact O-N 2.92Å; D1650-Y1653 PolarHBondContact O-N 3Å; D1650-E1654 PolarHBondContact O-N 2.88Å |
| 1651 | F | 27.2 | Very low | 27 | Very low | 91 Ų | 91 | 101.7 Ų | 101.7 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 32.9 | 145.5 | -151.4 | -102.6 | 0 | 0 | 0 | 115 | Q1648 T1649 I1655 | Q1648-F1651 HydrophobicContact CG-CD1 4.02Å; T1649-F1651 PolarHBondContact O-N 2.88Å; F1651-I1655 HydrophobicContact CD1-CD1 3.51Å; F1651-I1655 HydrophobicContact CD1-CG1 4.38Å; F1651-I1655 HydrophobicContact CD2-CD1 4.44Å; F1651-I1655 HydrophobicContact CE1-CD1 3.41Å; F1651-I1655 VanDerWaalsContact CE1-CD1 3.41Å; F1651-I1655 HydrophobicContact CE2-CD1 4.37Å; F1651-I1655 HydrophobicContact CG-CD1 4.05Å; F1651-I1655 HydrophobicContact CG-CG1 4.45Å; F1651-I1655 HydrophobicContact CZ-CD1 3.88Å; F1651-I1655 WeakPolarHBondContact O-CB 3.41Å |
| 1652 | D | 27.6 | Very low | 27.9 | Very low | 101 Ų | 101 | 102.1 Ų | 102.1 | 54% | 0.54 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.2 | -31.1 | 158.6 | -92.7 | -52.9 | 0 | 0 | 0 | 112.8 | D1650 I1655 E1656 R1659 | D1650-D1652 PolarHBondContact O-N 2.92Å; D1652-I1655 CarbonylContact O-C 3.57Å; D1652-I1655 VanDerWaalsContact O-C 3.25Å; D1652-E1656 PolarHBondContact O-N 3.49Å; D1652-R1659 IonicContact OD1-NH1 3.93Å |
| 1653 | Y | 31.4 | Very low | 28.6 | Very low | 133 Ų | 133 | 100.5 Ų | 100.5 | 52% | 0.522 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -41.8 | 167.3 | -175.8 | -92.8 | 0 | 0 | 0 | 111.8 | D1650 I1655 E1656 R1657 | D1650-Y1653 PolarHBondContact O-N 3Å; Y1653-I1655 PolarHBondContact O-N 3.21Å; Y1653-E1656 CarbonylContact O-C 3.52Å; Y1653-E1656 PolarHBondContact O-N 3.07Å; Y1653-R1657 HydrophobicContact CE1-CB 4.35Å; Y1653-R1657 PolarHBondContact O-N 2.95Å |
| 1654 | E | 30.1 | Very low | 29.2 | Very low | 135 Ų | 135 | 95 Ų | 95 | 63% | 0.631 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.8 | -25.7 | 159.8 | -89.4 | -157.4 | 160.9 | 0 | 0 | 110.8 | D1650 E1656 A1658 | D1650-E1654 PolarHBondContact O-N 2.88Å; E1654-E1656 VanDerWaalsContact C-N 3.32Å; E1654-A1658 WeakPolarHBondContact O-CA 3.46Å; E1654-A1658 WeakPolarHBondContact O-CB 3.46Å; E1654-A1658 PolarHBondContact O-N 2.97Å |
| 1655 | I | 28.4 | Very low | 30 | Very low | 30 Ų | 30 | 98.8 Ų | 98.8 | 15% | 0.154 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -82.3 | 0.4 | 168.4 | -104.6 | -171.9 | 0 | 0 | 0 | 113.8 | F1651 D1652 Y1653 R1659 | F1651-I1655 HydrophobicContact CD1-CD1 3.51Å; F1651-I1655 HydrophobicContact CD1-CG1 4.38Å; F1651-I1655 HydrophobicContact CD2-CD1 4.44Å; F1651-I1655 HydrophobicContact CE1-CD1 3.41Å; F1651-I1655 VanDerWaalsContact CE1-CD1 3.41Å; F1651-I1655 HydrophobicContact CE2-CD1 4.37Å; F1651-I1655 HydrophobicContact CG-CD1 4.05Å; F1651-I1655 HydrophobicContact CG-CG1 4.45Å; F1651-I1655 HydrophobicContact CZ-CD1 3.88Å; F1651-I1655 WeakPolarHBondContact O-CB 3.41Å; D1652-I1655 CarbonylContact O-C 3.57Å; D1652-I1655 VanDerWaalsContact O-C 3.25Å; Y1653-I1655 PolarHBondContact O-N 3.21Å; I1655-R1659 WeakPolarHBondContact O-CA 3.46Å; I1655-R1659 WeakPolarHBondContact O-CB 3.34Å; I1655-R1659 WeakPolarHBondContact O-CD 3.28Å; I1655-R1659 WeakPolarHBondContact O-CG 3.44Å; I1655-R1659 PolarHBondContact O-N 3.32Å |
| 1656 | E | 30.6 | Very low | 31 | Very low | 81 Ų | 81 | 101.2 Ų | 101.2 | 38% | 0.379 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -112.6 | -25.1 | 163.7 | -91.8 | -132.3 | 128 | 0 | 0 | 113.8 | D1652 Y1653 E1654 R1659 I1660 R1663 | D1652-E1656 PolarHBondContact O-N 3.49Å; Y1653-E1656 CarbonylContact O-C 3.52Å; Y1653-E1656 PolarHBondContact O-N 3.07Å; E1654-E1656 VanDerWaalsContact C-N 3.32Å; E1656-R1659 CarbonylContact O-C 3.55Å; E1656-R1659 PolarHBondContact O-N 2.94Å; E1656-I1660 WeakPolarHBondContact O-CA 3.33Å; E1656-I1660 WeakPolarHBondContact O-CB 3.16Å; E1656-I1660 WeakPolarHBondContact O-CD1 3.16Å; E1656-I1660 WeakPolarHBondContact O-CG1 3.13Å; E1656-I1660 PolarHBondContact O-N 3.1Å; E1656-R1663 IonicContact OE1-CZ 2.72Å; E1656-R1663 IonicContact OE1-NH1 3.48Å; E1656-R1663 PolarHBondContact OE1-NH1 3.39Å; E1656-R1663 IonicContact OE1-NH2 3.06Å; E1656-R1663 PolarHBondContact OE1-NH2 3.07Å |
| 1657 | R | 27 | Very low | 31.8 | Very low | 113 Ų | 113 | 97.4 Ų | 97.4 | 43% | 0.426 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -80.4 | -28 | 165.1 | -128.8 | 176.1 | -172.5 | -116.1 | 9.8 | 111.3 | D1554 Y1653 I1660 E1661 | D1554-R1657 IonicContact OD2-CZ 2.85Å; D1554-R1657 IonicContact OD2-NE 3.74Å; D1554-R1657 IonicContact OD2-NH2 3.46Å; D1554-R1657 PolarHBondContact OD2-NH2 3.28Å; Y1653-R1657 HydrophobicContact CE1-CB 4.35Å; Y1653-R1657 PolarHBondContact O-N 2.95Å; R1657-I1660 CarbonylContact O-C 3.56Å; R1657-I1660 PolarHBondContact O-N 3.1Å; R1657-E1661 WeakPolarHBondContact O-CA 3.26Å; R1657-E1661 VanDerWaalsContact O-CB 3.26Å; R1657-E1661 WeakPolarHBondContact O-CB 3.42Å; R1657-E1661 PolarHBondContact O-N 3.11Å |
| 1658 | A | 38.1 | Very low | 32.6 | Very low | 40 Ų | 40 | 94.7 Ų | 94.7 | 33% | 0.331 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 20.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1654 Q1662 | E1654-A1658 WeakPolarHBondContact O-CA 3.46Å; E1654-A1658 WeakPolarHBondContact O-CB 3.46Å; E1654-A1658 PolarHBondContact O-N 2.97Å; A1658-Q1662 WeakPolarHBondContact O-CB 3.22Å; A1658-Q1662 WeakPolarHBondContact O-CG 3.43Å; A1658-Q1662 PolarHBondContact O-N 3.31Å; A1658-Q1662 PolarHBondContact O-NE2 3.37Å |
| 1659 | R | 31.8 | Very low | 33.7 | Very low | 105 Ų | 105 | 96.1 Ų | 96.1 | 40% | 0.396 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 29.4 | 134.3 | -62.8 | 167.5 | -162.2 | 134.2 | -0.4 | 111.9 | D1652 I1655 E1656 R1663 | D1652-R1659 IonicContact OD1-NH1 3.93Å; I1655-R1659 WeakPolarHBondContact O-CA 3.46Å; I1655-R1659 WeakPolarHBondContact O-CB 3.34Å; I1655-R1659 WeakPolarHBondContact O-CD 3.28Å; I1655-R1659 WeakPolarHBondContact O-CG 3.44Å; I1655-R1659 PolarHBondContact O-N 3.32Å; E1656-R1659 CarbonylContact O-C 3.55Å; E1656-R1659 PolarHBondContact O-N 2.94Å; R1659-R1663 WeakPolarHBondContact O-CA 3.45Å; R1659-R1663 WeakPolarHBondContact O-CB 3.42Å; R1659-R1663 WeakPolarHBondContact O-CG 3.3Å; R1659-R1663 PolarHBondContact O-N 2.66Å; R1659-R1663 PolarHBondContact O-NH1 3.25Å |
| 1660 | I | 35.1 | Very low | 34.8 | Very low | 100 Ų | 100 | 93.5 Ų | 93.5 | 51% | 0.513 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132 | -13.8 | 161.3 | -72.3 | 167.1 | 0 | 0 | 0 | 109.9 | E1656 R1657 R1663 G1664 | E1656-I1660 WeakPolarHBondContact O-CA 3.33Å; E1656-I1660 WeakPolarHBondContact O-CB 3.16Å; E1656-I1660 WeakPolarHBondContact O-CD1 3.16Å; E1656-I1660 WeakPolarHBondContact O-CG1 3.13Å; E1656-I1660 PolarHBondContact O-N 3.1Å; R1657-I1660 CarbonylContact O-C 3.56Å; R1657-I1660 PolarHBondContact O-N 3.1Å; I1660-R1663 VanDerWaalsContact C-C 3.45Å; I1660-R1663 VanDerWaalsContact CA-N 3.29Å; I1660-R1663 HydrophobicContact CG1-CB 4.32Å; I1660-R1663 VanDerWaalsContact N-N 3.18Å; I1660-R1663 CarbonylContact O-C 3.53Å; I1660-G1664 WeakPolarHBondContact O-CA 3.32Å; I1660-G1664 PolarHBondContact O-N 3.22Å |
| 1661 | E | 36.1 | Very low | 35.4 | Very low | 95 Ų | 95 | 90.6 Ų | 90.6 | 44% | 0.444 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -101.1 | -9.3 | 150.6 | -161.4 | 175 | -168.4 | 0 | 0 | 110.5 | R1657 R1665 | R1657-E1661 WeakPolarHBondContact O-CA 3.26Å; R1657-E1661 VanDerWaalsContact O-CB 3.26Å; R1657-E1661 WeakPolarHBondContact O-CB 3.42Å; R1657-E1661 PolarHBondContact O-N 3.11Å; E1661-R1665 VanDerWaalsContact CD-NE 3.34Å; E1661-R1665 HydrophobicContact CG-CG 3.71Å; E1661-R1665 VanDerWaalsContact O-CA 3.3Å; E1661-R1665 WeakPolarHBondContact O-CA 3.23Å; E1661-R1665 WeakPolarHBondContact O-CB 3.32Å; E1661-R1665 WeakPolarHBondContact O-CG 3.35Å; E1661-R1665 PolarHBondContact O-N 2.95Å; E1661-R1665 IonicContact OE1-CZ 2.68Å; E1661-R1665 IonicContact OE1-NE 2.67Å; E1661-R1665 PolarHBondContact OE1-NE 3.03Å; E1661-R1665 IonicContact OE1-NH2 3.24Å; E1661-R1665 PolarHBondContact OE1-NH2 3.49Å; E1661-R1665 IonicContact OE2-NH2 3.53Å |
| 1662 | Q | 38.1 | Very low | 36.4 | Very low | 97 Ų | 97 | 91.3 Ų | 91.3 | 45% | 0.453 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -17.6 | 143.2 | -63.3 | 176.6 | 98.6 | 0 | 0 | 113.6 | A1658 G1664 F1666 V1667 | A1658-Q1662 WeakPolarHBondContact O-CB 3.22Å; A1658-Q1662 WeakPolarHBondContact O-CG 3.43Å; A1658-Q1662 PolarHBondContact O-N 3.31Å; A1658-Q1662 PolarHBondContact O-NE2 3.37Å; Q1662-G1664 PolarHBondContact O-N 3.41Å; Q1662-F1666 HydrophobicContact CB-CB 3.93Å; Q1662-F1666 HydrophobicContact CB-CD1 4.13Å; Q1662-F1666 HydrophobicContact CB-CG 4.44Å; Q1662-F1666 HydrophobicContact CG-CB 4.38Å; Q1662-F1666 CarbonylContact O-C 3.46Å; Q1662-F1666 WeakPolarHBondContact O-CA 3.38Å; Q1662-F1666 WeakPolarHBondContact O-CB 3.35Å; Q1662-F1666 WeakPolarHBondContact O-CD1 3.18Å; Q1662-F1666 WeakPolarHBondContact O-CG 3.44Å; Q1662-F1666 PolarHBondContact O-N 3.28Å; Q1662-F1666 VanDerWaalsContact O-N 3.11Å; Q1662-V1667 PolarHBondContact O-N 3.01Å |
| 1663 | R | 33.5 | Very low | 37.8 | Very low | 115 Ų | 115 | 87.8 Ų | 87.8 | 43% | 0.434 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 41.4 | 153 | -63.3 | 178.4 | -146.6 | 102.8 | -23.1 | 110.4 | E1656 R1659 I1660 V1667 | E1656-R1663 IonicContact OE1-CZ 2.72Å; E1656-R1663 IonicContact OE1-NH1 3.48Å; E1656-R1663 PolarHBondContact OE1-NH1 3.39Å; E1656-R1663 IonicContact OE1-NH2 3.06Å; E1656-R1663 PolarHBondContact OE1-NH2 3.07Å; R1659-R1663 WeakPolarHBondContact O-CA 3.45Å; R1659-R1663 WeakPolarHBondContact O-CB 3.42Å; R1659-R1663 WeakPolarHBondContact O-CG 3.3Å; R1659-R1663 PolarHBondContact O-N 2.66Å; R1659-R1663 PolarHBondContact O-NH1 3.25Å; I1660-R1663 VanDerWaalsContact C-C 3.45Å; I1660-R1663 VanDerWaalsContact CA-N 3.29Å; I1660-R1663 HydrophobicContact CG1-CB 4.32Å; I1660-R1663 VanDerWaalsContact N-N 3.18Å; I1660-R1663 CarbonylContact O-C 3.53Å; R1663-V1667 HydrophobicContact CB-CB 4.37Å; R1663-V1667 HydrophobicContact CB-CG2 3.61Å; R1663-V1667 HydrophobicContact CG-CG2 4.11Å; R1663-V1667 WeakPolarHBondContact O-CB 3.05Å |
| 1664 | G | 33.3 | Very low | 38.6 | Very low | 25 Ų | 25 | 84.4 Ų | 84.4 | 26% | 0.258 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -153.4 | -50.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1660 Q1662 V1667 S1668 | I1660-G1664 WeakPolarHBondContact O-CA 3.32Å; I1660-G1664 PolarHBondContact O-N 3.22Å; Q1662-G1664 PolarHBondContact O-N 3.41Å; G1664-V1667 VanDerWaalsContact N-N 3.14Å; G1664-S1668 WeakPolarHBondContact O-CA 3.33Å; G1664-S1668 WeakPolarHBondContact O-CB 3.43Å; G1664-S1668 PolarHBondContact O-N 3.12Å; G1664-S1668 PolarHBondContact O-OG 3.41Å |
| 1665 | R | 39.2 | Very low | 39.5 | Very low | 169 Ų | 169 | 83.5 Ų | 83.5 | 64% | 0.638 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -32.5 | 160.7 | -59.9 | 173.8 | -171.7 | -161.7 | 10.1 | 112.2 | E1661 S1668 F1669 | E1661-R1665 VanDerWaalsContact CD-NE 3.34Å; E1661-R1665 HydrophobicContact CG-CG 3.71Å; E1661-R1665 VanDerWaalsContact O-CA 3.3Å; E1661-R1665 WeakPolarHBondContact O-CA 3.23Å; E1661-R1665 WeakPolarHBondContact O-CB 3.32Å; E1661-R1665 WeakPolarHBondContact O-CG 3.35Å; E1661-R1665 PolarHBondContact O-N 2.95Å; E1661-R1665 IonicContact OE1-CZ 2.68Å; E1661-R1665 IonicContact OE1-NE 2.67Å; E1661-R1665 PolarHBondContact OE1-NE 3.03Å; E1661-R1665 IonicContact OE1-NH2 3.24Å; E1661-R1665 PolarHBondContact OE1-NH2 3.49Å; E1661-R1665 IonicContact OE2-NH2 3.53Å; R1665-S1668 CarbonylContact O-C 3.46Å; R1665-S1668 WeakPolarHBondContact O-CA 3.26Å; R1665-S1668 PolarHBondContact O-N 2.74Å; R1665-F1669 WeakPolarHBondContact O-CA 3.4Å; R1665-F1669 WeakPolarHBondContact O-CB 3.45Å; R1665-F1669 PolarHBondContact O-N 2.95Å |
| 1666 | F | 41 | Very low | 40.9 | Very low | 99 Ų | 99 | 86.6 Ų | 86.6 | 43% | 0.434 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 8.1 | 167.6 | 163.4 | -89.3 | 0 | 0 | 0 | 113.6 | Q1662 F1669 I1670 | Q1662-F1666 HydrophobicContact CB-CB 3.93Å; Q1662-F1666 HydrophobicContact CB-CD1 4.13Å; Q1662-F1666 HydrophobicContact CB-CG 4.44Å; Q1662-F1666 HydrophobicContact CG-CB 4.38Å; Q1662-F1666 CarbonylContact O-C 3.46Å; Q1662-F1666 WeakPolarHBondContact O-CA 3.38Å; Q1662-F1666 WeakPolarHBondContact O-CB 3.35Å; Q1662-F1666 WeakPolarHBondContact O-CD1 3.18Å; Q1662-F1666 WeakPolarHBondContact O-CG 3.44Å; Q1662-F1666 PolarHBondContact O-N 3.28Å; Q1662-F1666 VanDerWaalsContact O-N 3.11Å; F1666-F1669 VanDerWaalsContact CA-CB 3.47Å; F1666-F1669 HydrophobicContact CB-CB 3.82Å; F1666-F1669 HydrophobicContact CD2-CB 4.11Å; F1666-F1669 HydrophobicContact CG-CB 4.41Å; F1666-I1670 HydrophobicContact CD1-CD1 3.67Å; F1666-I1670 HydrophobicContact CD1-CG1 4.14Å; F1666-I1670 HydrophobicContact CD2-CD1 4.31Å; F1666-I1670 HydrophobicContact CD2-CG1 3.92Å; F1666-I1670 HydrophobicContact CE1-CD1 3.27Å; F1666-I1670 HydrophobicContact CE1-CG1 3.95Å; F1666-I1670 HydrophobicContact CE2-CD1 3.97Å; F1666-I1670 HydrophobicContact CE2-CG1 3.71Å; F1666-I1670 HydrophobicContact CG-CD1 4.18Å; F1666-I1670 HydrophobicContact CG-CG1 4.12Å; F1666-I1670 HydrophobicContact CZ-CD1 3.44Å; F1666-I1670 VanDerWaalsContact CZ-CD1 3.44Å; F1666-I1670 HydrophobicContact CZ-CG1 3.74Å; F1666-I1670 WeakPolarHBondContact O-CA 3.39Å; F1666-I1670 WeakPolarHBondContact O-CB 3.22Å; F1666-I1670 VanDerWaalsContact O-CD1 3.28Å; F1666-I1670 WeakPolarHBondContact O-CD1 3.4Å; F1666-I1670 WeakPolarHBondContact O-CG1 3.47Å; F1666-I1670 PolarHBondContact O-N 2.78Å |
| 1667 | V | 41 | Very low | 42.4 | Very low | 58 Ų | 58 | 88.6 Ų | 88.6 | 35% | 0.352 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -21.8 | 138.8 | 161.3 | 0 | 0 | 0 | 0 | 109.7 | Q1662 R1663 G1664 F1669 I1670 C1671 | Q1662-V1667 PolarHBondContact O-N 3.01Å; R1663-V1667 HydrophobicContact CB-CB 4.37Å; R1663-V1667 HydrophobicContact CB-CG2 3.61Å; R1663-V1667 HydrophobicContact CG-CG2 4.11Å; R1663-V1667 WeakPolarHBondContact O-CB 3.05Å; G1664-V1667 VanDerWaalsContact N-N 3.14Å; V1667-F1669 PolarHBondContact O-N 2.88Å; V1667-I1670 CarbonylContact O-C 3.26Å; V1667-I1670 VanDerWaalsContact O-C 3.28Å; V1667-C1671 WeakPolarHBondContact O-CA 3.22Å; V1667-C1671 WeakPolarHBondContact O-CB 3.36Å; V1667-C1671 PolarHBondContact O-N 3.23Å; V1667-C1671 PolarHBondContact O-SG 2.78Å |
| 1668 | S | 37.6 | Very low | 43.3 | Very low | 60 Ų | 60 | 87.2 Ų | 87.2 | 42% | 0.42 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 11.9 | 155.9 | -55.2 | 0 | 0 | 0 | 0 | 112.7 | G1664 R1665 I1672 | G1664-S1668 WeakPolarHBondContact O-CA 3.33Å; G1664-S1668 WeakPolarHBondContact O-CB 3.43Å; G1664-S1668 PolarHBondContact O-N 3.12Å; G1664-S1668 PolarHBondContact O-OG 3.41Å; R1665-S1668 CarbonylContact O-C 3.46Å; R1665-S1668 WeakPolarHBondContact O-CA 3.26Å; R1665-S1668 PolarHBondContact O-N 2.74Å; S1668-I1672 WeakPolarHBondContact O-CA 3.5Å; S1668-I1672 WeakPolarHBondContact O-CB 3.26Å; S1668-I1672 VanDerWaalsContact O-CD1 3.31Å; S1668-I1672 WeakPolarHBondContact O-CD1 2.92Å; S1668-I1672 WeakPolarHBondContact O-CG1 3.46Å; S1668-I1672 PolarHBondContact O-N 3.45Å |
| 1669 | F | 48 | Very low | 43.8 | Very low | 134 Ų | 134 | 88.8 Ų | 88.8 | 59% | 0.588 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.4 | -19.8 | 170.5 | -132.9 | -85.8 | 0 | 0 | 0 | 109.7 | R1665 F1666 V1667 A1673 | R1665-F1669 WeakPolarHBondContact O-CA 3.4Å; R1665-F1669 WeakPolarHBondContact O-CB 3.45Å; R1665-F1669 PolarHBondContact O-N 2.95Å; F1666-F1669 VanDerWaalsContact CA-CB 3.47Å; F1666-F1669 HydrophobicContact CB-CB 3.82Å; F1666-F1669 HydrophobicContact CD2-CB 4.11Å; F1666-F1669 HydrophobicContact CG-CB 4.41Å; V1667-F1669 PolarHBondContact O-N 2.88Å; F1669-A1673 HydrophobicContact CD1-CB 4.25Å; F1669-A1673 CarbonylContact O-C 3.57Å; F1669-A1673 WeakPolarHBondContact O-CA 3.05Å; F1669-A1673 WeakPolarHBondContact O-CB 3.19Å; F1669-A1673 PolarHBondContact O-N 3.13Å |
| 1670 | I | 47.9 | Very low | 44.9 | Very low | 66 Ų | 66 | 85 Ų | 85 | 34% | 0.338 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -85.7 | 13.5 | 147.2 | -54.7 | 159.6 | 0 | 0 | 0 | 109.9 | F1666 V1667 L1674 | F1666-I1670 HydrophobicContact CD1-CD1 3.67Å; F1666-I1670 HydrophobicContact CD1-CG1 4.14Å; F1666-I1670 HydrophobicContact CD2-CD1 4.31Å; F1666-I1670 HydrophobicContact CD2-CG1 3.92Å; F1666-I1670 HydrophobicContact CE1-CD1 3.27Å; F1666-I1670 HydrophobicContact CE1-CG1 3.95Å; F1666-I1670 HydrophobicContact CE2-CD1 3.97Å; F1666-I1670 HydrophobicContact CE2-CG1 3.71Å; F1666-I1670 HydrophobicContact CG-CD1 4.18Å; F1666-I1670 HydrophobicContact CG-CG1 4.12Å; F1666-I1670 HydrophobicContact CZ-CD1 3.44Å; F1666-I1670 VanDerWaalsContact CZ-CD1 3.44Å; F1666-I1670 HydrophobicContact CZ-CG1 3.74Å; F1666-I1670 WeakPolarHBondContact O-CA 3.39Å; F1666-I1670 WeakPolarHBondContact O-CB 3.22Å; F1666-I1670 VanDerWaalsContact O-CD1 3.28Å; F1666-I1670 WeakPolarHBondContact O-CD1 3.4Å; F1666-I1670 WeakPolarHBondContact O-CG1 3.47Å; F1666-I1670 PolarHBondContact O-N 2.78Å; V1667-I1670 CarbonylContact O-C 3.26Å; V1667-I1670 VanDerWaalsContact O-C 3.28Å; I1670-L1674 HydrophobicContact CG2-CD1 3.44Å; I1670-L1674 VanDerWaalsContact CG2-CD1 3.44Å; I1670-L1674 WeakPolarHBondContact O-CB 3.21Å; I1670-L1674 WeakPolarHBondContact O-CD1 3.37Å; I1670-L1674 PolarHBondContact O-N 3.14Å; I1670-L1674 VanDerWaalsContact O-N 3.15Å |
| 1671 | C | 40.6 | Very low | 45.6 | Very low | 55 Ų | 55 | 81 Ų | 81 | 37% | 0.372 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -136 | -27.2 | 164.1 | -65.4 | 0 | 0 | 0 | 0 | 113.6 | V1667 A1673 L1674 I1675 | V1667-C1671 WeakPolarHBondContact O-CA 3.22Å; V1667-C1671 WeakPolarHBondContact O-CB 3.36Å; V1667-C1671 PolarHBondContact O-N 3.23Å; V1667-C1671 PolarHBondContact O-SG 2.78Å; C1671-A1673 VanDerWaalsContact C-N 3.3Å; C1671-L1674 VanDerWaalsContact CA-N 3.28Å; C1671-L1674 VanDerWaalsContact N-N 3.19Å; C1671-I1675 WeakPolarHBondContact O-CB 3.17Å; C1671-I1675 VanDerWaalsContact O-CD1 3.31Å; C1671-I1675 WeakPolarHBondContact O-CD1 3.39Å; C1671-I1675 WeakPolarHBondContact O-CG1 3.27Å; C1671-I1675 PolarHBondContact O-N 2.69Å |
| 1672 | I | 49.2 | Very low | 46.1 | Very low | 107 Ų | 107 | 80.4 Ų | 80.4 | 55% | 0.549 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -73.6 | -29.3 | 154.1 | -62.7 | 167.5 | 0 | 0 | 0 | 109.1 | S1668 I1675 V1676 | S1668-I1672 WeakPolarHBondContact O-CA 3.5Å; S1668-I1672 WeakPolarHBondContact O-CB 3.26Å; S1668-I1672 VanDerWaalsContact O-CD1 3.31Å; S1668-I1672 WeakPolarHBondContact O-CD1 2.92Å; S1668-I1672 WeakPolarHBondContact O-CG1 3.46Å; S1668-I1672 PolarHBondContact O-N 3.45Å; I1672-I1675 CarbonylContact O-C 3.57Å; I1672-I1675 PolarHBondContact O-N 3.48Å; I1672-V1676 WeakPolarHBondContact O-CA 3.27Å; I1672-V1676 WeakPolarHBondContact O-CB 3.37Å; I1672-V1676 WeakPolarHBondContact O-CG2 3.33Å; I1672-V1676 PolarHBondContact O-N 2.66Å |
| 1673 | A | 56 | Low | 46.7 | Very low | 27 Ų | 27 | 83.4 Ų | 83.4 | 22% | 0.223 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -114.7 | 35.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F1669 C1671 V1676 F1677 | F1669-A1673 HydrophobicContact CD1-CB 4.25Å; F1669-A1673 CarbonylContact O-C 3.57Å; F1669-A1673 WeakPolarHBondContact O-CA 3.05Å; F1669-A1673 WeakPolarHBondContact O-CB 3.19Å; F1669-A1673 PolarHBondContact O-N 3.13Å; C1671-A1673 VanDerWaalsContact C-N 3.3Å; A1673-V1676 HydrophobicContact CB-CB 3.76Å; A1673-V1676 HydrophobicContact CB-CG1 4.29Å; A1673-F1677 WeakPolarHBondContact O-CB 3.26Å |
| 1674 | L | 49.1 | Very low | 48 | Very low | 62 Ų | 62 | 85.6 Ų | 85.6 | 33% | 0.325 | 44% | 0.444 | S | S | . | . | H | α-helix | -91.5 | -37.4 | 122.8 | -113.2 | 69.2 | 0 | 0 | 0 | 109.5 | I1670 C1671 V1676 F1677 V1678 V1679 | I1670-L1674 HydrophobicContact CG2-CD1 3.44Å; I1670-L1674 VanDerWaalsContact CG2-CD1 3.44Å; I1670-L1674 WeakPolarHBondContact O-CB 3.21Å; I1670-L1674 WeakPolarHBondContact O-CD1 3.37Å; I1670-L1674 PolarHBondContact O-N 3.14Å; I1670-L1674 VanDerWaalsContact O-N 3.15Å; C1671-L1674 VanDerWaalsContact CA-N 3.28Å; C1671-L1674 VanDerWaalsContact N-N 3.19Å; L1674-V1676 PolarHBondContact O-N 2.87Å; L1674-V1676 VanDerWaalsContact O-N 3.11Å; L1674-F1677 VanDerWaalsContact C-N 3.27Å; L1674-F1677 CarbonylContact O-C 3.46Å; L1674-F1677 WeakPolarHBondContact O-CA 3.11Å; L1674-F1677 PolarHBondContact O-N 3.25Å; L1674-V1678 HydrophobicContact CB-CB 4.05Å; L1674-V1678 HydrophobicContact CD2-CB 3.79Å; L1674-V1678 HydrophobicContact CD2-CG2 3.5Å; L1674-V1678 HydrophobicContact CG-CB 3.68Å; L1674-V1678 HydrophobicContact CG-CG2 3.62Å; L1674-V1678 CarbonylContact O-C 3.52Å; L1674-V1678 WeakPolarHBondContact O-CA 3.49Å; L1674-V1678 PolarHBondContact O-N 2.86Å; L1674-V1679 PolarHBondContact O-N 3.47Å | |
| 1675 | I | 48 | Very low | 48.6 | Very low | 115 Ų | 115 | 88.5 Ų | 88.5 | 59% | 0.59 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66 | -18.9 | 173.4 | -65.4 | 163.8 | 0 | 0 | 0 | 110.9 | C1671 I1672 V1679 G1680 | C1671-I1675 WeakPolarHBondContact O-CB 3.17Å; C1671-I1675 VanDerWaalsContact O-CD1 3.31Å; C1671-I1675 WeakPolarHBondContact O-CD1 3.39Å; C1671-I1675 WeakPolarHBondContact O-CG1 3.27Å; C1671-I1675 PolarHBondContact O-N 2.69Å; I1672-I1675 CarbonylContact O-C 3.57Å; I1672-I1675 PolarHBondContact O-N 3.48Å; I1675-V1679 HydrophobicContact CG2-CG2 4.21Å; I1675-V1679 CarbonylContact O-C 3.57Å; I1675-V1679 VanDerWaalsContact O-CA 3.29Å; I1675-V1679 WeakPolarHBondContact O-CA 3.38Å; I1675-V1679 WeakPolarHBondContact O-CB 3.49Å; I1675-V1679 PolarHBondContact O-N 2.91Å; I1675-G1680 PolarHBondContact O-N 3.45Å |
| 1676 | V | 57.1 | Low | 48.9 | Very low | 95 Ų | 95 | 84.5 Ų | 84.5 | 58% | 0.576 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 19.4 | 165.7 | 180 | 0 | 0 | 0 | 0 | 111.6 | I1672 A1673 L1674 G1680 | I1672-V1676 WeakPolarHBondContact O-CA 3.27Å; I1672-V1676 WeakPolarHBondContact O-CB 3.37Å; I1672-V1676 WeakPolarHBondContact O-CG2 3.33Å; I1672-V1676 PolarHBondContact O-N 2.66Å; A1673-V1676 HydrophobicContact CB-CB 3.76Å; A1673-V1676 HydrophobicContact CB-CG1 4.29Å; L1674-V1676 PolarHBondContact O-N 2.87Å; L1674-V1676 VanDerWaalsContact O-N 3.11Å; V1676-G1680 WeakPolarHBondContact O-CA 3.43Å |
| 1677 | F | 63.4 | Low | 49.5 | Very low | 123 Ų | 123 | 80.5 Ų | 80.5 | 54% | 0.539 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.8 | -72.4 | 160.8 | -165.2 | -90.3 | 0 | 0 | 0 | 113.3 | A1673 L1674 V1679 G1680 A1681 I1682 | A1673-F1677 WeakPolarHBondContact O-CB 3.26Å; L1674-F1677 VanDerWaalsContact C-N 3.27Å; L1674-F1677 CarbonylContact O-C 3.46Å; L1674-F1677 WeakPolarHBondContact O-CA 3.11Å; L1674-F1677 PolarHBondContact O-N 3.25Å; F1677-V1679 CarbonylContact O-C 3.5Å; F1677-V1679 PolarHBondContact O-N 2.83Å; F1677-G1680 PolarHBondContact O-N 3.43Å; F1677-A1681 HydrophobicContact CB-CB 4.32Å; F1677-A1681 HydrophobicContact CD1-CB 3.87Å; F1677-A1681 HydrophobicContact CD2-CB 3.43Å; F1677-A1681 VanDerWaalsContact CD2-CB 3.43Å; F1677-A1681 HydrophobicContact CE1-CB 3.95Å; F1677-A1681 HydrophobicContact CE2-CB 3.53Å; F1677-A1681 HydrophobicContact CG-CB 3.6Å; F1677-A1681 HydrophobicContact CZ-CB 3.79Å; F1677-A1681 CarbonylContact O-C 3.54Å; F1677-A1681 WeakPolarHBondContact O-CA 3.39Å; F1677-A1681 WeakPolarHBondContact O-CB 3.48Å; F1677-A1681 PolarHBondContact O-N 3.32Å; F1677-I1682 PolarHBondContact O-N 2.55Å |
| 1678 | V | 45.7 | Very low | 50.1 | Low | 84 Ų | 84 | 80.3 Ų | 80.3 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -1.2 | 156.2 | 168 | 0 | 0 | 0 | 0 | 116 | L1674 I1682 | L1674-V1678 HydrophobicContact CB-CB 4.05Å; L1674-V1678 HydrophobicContact CD2-CB 3.79Å; L1674-V1678 HydrophobicContact CD2-CG2 3.5Å; L1674-V1678 HydrophobicContact CG-CB 3.68Å; L1674-V1678 HydrophobicContact CG-CG2 3.62Å; L1674-V1678 CarbonylContact O-C 3.52Å; L1674-V1678 WeakPolarHBondContact O-CA 3.49Å; L1674-V1678 PolarHBondContact O-N 2.86Å; V1678-I1682 WeakPolarHBondContact O-CD1 3.39Å; V1678-I1682 WeakPolarHBondContact O-CG1 3.42Å |
| 1679 | V | 47.8 | Very low | 50.6 | Low | 73 Ų | 73 | 81.2 Ų | 81.2 | 44% | 0.442 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -23.6 | 143.7 | -147.6 | 0 | 0 | 0 | 0 | 116.8 | L1674 I1675 F1677 A1681 I1682 F1683 | L1674-V1679 PolarHBondContact O-N 3.47Å; I1675-V1679 HydrophobicContact CG2-CG2 4.21Å; I1675-V1679 CarbonylContact O-C 3.57Å; I1675-V1679 VanDerWaalsContact O-CA 3.29Å; I1675-V1679 WeakPolarHBondContact O-CA 3.38Å; I1675-V1679 WeakPolarHBondContact O-CB 3.49Å; I1675-V1679 PolarHBondContact O-N 2.91Å; F1677-V1679 CarbonylContact O-C 3.5Å; F1677-V1679 PolarHBondContact O-N 2.83Å; V1679-A1681 VanDerWaalsContact C-N 3.3Å; V1679-A1681 PolarHBondContact O-N 3.33Å; V1679-I1682 HydrophobicContact CG1-CB 4.11Å; V1679-I1682 HydrophobicContact CG1-CD1 4.27Å; V1679-I1682 CarbonylContact O-C 3.58Å; V1679-I1682 PolarHBondContact O-N 3.16Å; V1679-F1683 WeakPolarHBondContact O-CB 3.01Å; V1679-F1683 PolarHBondContact O-N 3.46Å |
| 1680 | G | 55.5 | Low | 50.9 | Low | 27 Ų | 27 | 75.6 Ų | 75.6 | 28% | 0.278 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -81 | -6.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | I1675 V1676 F1677 F1683 Y1684 | I1675-G1680 PolarHBondContact O-N 3.45Å; V1676-G1680 WeakPolarHBondContact O-CA 3.43Å; F1677-G1680 PolarHBondContact O-N 3.43Å; G1680-F1683 VanDerWaalsContact O-CB 3.31Å; G1680-F1683 WeakPolarHBondContact O-CB 3.45Å; G1680-Y1684 PolarHBondContact O-N 2.97Å |
| 1681 | A | 50.1 | Low | 51.5 | Low | 16 Ų | 16 | 75.9 Ų | 75.9 | 13% | 0.132 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -131.4 | 7.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1677 V1679 F1683 Y1684 F1685 | F1677-A1681 HydrophobicContact CB-CB 4.32Å; F1677-A1681 HydrophobicContact CD1-CB 3.87Å; F1677-A1681 HydrophobicContact CD2-CB 3.43Å; F1677-A1681 VanDerWaalsContact CD2-CB 3.43Å; F1677-A1681 HydrophobicContact CE1-CB 3.95Å; F1677-A1681 HydrophobicContact CE2-CB 3.53Å; F1677-A1681 HydrophobicContact CG-CB 3.6Å; F1677-A1681 HydrophobicContact CZ-CB 3.79Å; F1677-A1681 CarbonylContact O-C 3.54Å; F1677-A1681 WeakPolarHBondContact O-CA 3.39Å; F1677-A1681 WeakPolarHBondContact O-CB 3.48Å; F1677-A1681 PolarHBondContact O-N 3.32Å; V1679-A1681 VanDerWaalsContact C-N 3.3Å; V1679-A1681 PolarHBondContact O-N 3.33Å; A1681-F1683 VanDerWaalsContact C-N 3.35Å; A1681-Y1684 VanDerWaalsContact CA-N 3.34Å; A1681-F1685 WeakPolarHBondContact O-CB 3.49Å; A1681-F1685 PolarHBondContact O-N 3.21Å; A1681-F1685 VanDerWaalsContact O-N 3.07Å |
| 1682 | I | 45.9 | Very low | 52.2 | Low | 81 Ų | 81 | 74.9 Ų | 74.9 | 42% | 0.415 | 40% | 0.402 | S | S | . | . | H | α-helix | -68 | -45 | 127.4 | -68.3 | 175.3 | 0 | 0 | 0 | 107.1 | F1677 V1678 V1679 F1685 V1686 | F1677-I1682 PolarHBondContact O-N 2.55Å; V1678-I1682 WeakPolarHBondContact O-CD1 3.39Å; V1678-I1682 WeakPolarHBondContact O-CG1 3.42Å; V1679-I1682 HydrophobicContact CG1-CB 4.11Å; V1679-I1682 HydrophobicContact CG1-CD1 4.27Å; V1679-I1682 CarbonylContact O-C 3.58Å; V1679-I1682 PolarHBondContact O-N 3.16Å; I1682-F1685 PolarHBondContact O-N 3.36Å; I1682-F1685 VanDerWaalsContact O-N 3.11Å; I1682-V1686 HydrophobicContact CG2-CG2 3.74Å; I1682-V1686 WeakPolarHBondContact O-CB 3.37Å; I1682-V1686 WeakPolarHBondContact O-CG2 3.22Å; I1682-V1686 PolarHBondContact O-N 2.92Å | |
| 1683 | F | 52 | Low | 52.7 | Low | 160 Ų | 160 | 70.2 Ų | 70.2 | 70% | 0.702 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -56.2 | -63.5 | 173.2 | -131.5 | -85.4 | 0 | 0 | 0 | 110.2 | V1679 G1680 A1681 F1685 V1686 A1687 | V1679-F1683 WeakPolarHBondContact O-CB 3.01Å; V1679-F1683 PolarHBondContact O-N 3.46Å; G1680-F1683 VanDerWaalsContact O-CB 3.31Å; G1680-F1683 WeakPolarHBondContact O-CB 3.45Å; A1681-F1683 VanDerWaalsContact C-N 3.35Å; F1683-F1685 VanDerWaalsContact C-N 3.27Å; F1683-F1685 PolarHBondContact O-N 2.92Å; F1683-F1685 VanDerWaalsContact O-N 3.16Å; F1683-V1686 CarbonylContact O-C 3.57Å; F1683-V1686 PolarHBondContact O-N 3.28Å; F1683-A1687 WeakPolarHBondContact O-CA 3.42Å; F1683-A1687 WeakPolarHBondContact O-CB 3.32Å; F1683-A1687 PolarHBondContact O-N 2.86Å |
| 1684 | Y | 60.4 | Low | 53.2 | Low | 162 Ų | 162 | 70.6 Ų | 70.6 | 64% | 0.635 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.3 | -20 | 171.8 | -179.6 | -93.7 | 0 | 0 | 0 | 115.7 | G1680 A1681 S1688 | G1680-Y1684 PolarHBondContact O-N 2.97Å; A1681-Y1684 VanDerWaalsContact CA-N 3.34Å; Y1684-S1688 WeakPolarHBondContact O-CA 3.31Å; Y1684-S1688 WeakPolarHBondContact O-CB 3.41Å; Y1684-S1688 PolarHBondContact O-N 3Å; Y1684-S1688 PolarHBondContact O-OG 3.46Å |
| 1685 | F | 46.1 | Very low | 53.9 | Low | 85 Ų | 85 | 75 Ų | 75 | 37% | 0.373 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -79.9 | -51.4 | 170.2 | -175.5 | -102.2 | 0 | 0 | 0 | 111.6 | A1681 I1682 F1683 A1687 S1688 K1689 N1919 | A1681-F1685 WeakPolarHBondContact O-CB 3.49Å; A1681-F1685 PolarHBondContact O-N 3.21Å; A1681-F1685 VanDerWaalsContact O-N 3.07Å; I1682-F1685 PolarHBondContact O-N 3.36Å; I1682-F1685 VanDerWaalsContact O-N 3.11Å; F1683-F1685 VanDerWaalsContact C-N 3.27Å; F1683-F1685 PolarHBondContact O-N 2.92Å; F1683-F1685 VanDerWaalsContact O-N 3.16Å; F1685-A1687 PolarHBondContact O-N 3.45Å; F1685-S1688 PolarHBondContact O-OG 3.47Å; F1685-K1689 HydrophobicContact CE2-CD 4.45Å; F1685-K1689 HydrophobicContact CZ-CD 4.49Å; F1685-K1689 VanDerWaalsContact O-CB 3.28Å; F1685-K1689 WeakPolarHBondContact O-CB 3.27Å; F1685-K1689 PolarHBondContact O-N 2.85Å; F1685-N1919 HydrophobicContact CE1-CB 3.78Å; F1685-N1919 HydrophobicContact CZ-CB 4.23Å |
| 1686 | V | 45.2 | Very low | 54.6 | Low | 86 Ų | 86 | 74.7 Ų | 74.7 | 52% | 0.521 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.7 | -21.2 | 170.2 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | I1682 F1683 G1690 | I1682-V1686 HydrophobicContact CG2-CG2 3.74Å; I1682-V1686 WeakPolarHBondContact O-CB 3.37Å; I1682-V1686 WeakPolarHBondContact O-CG2 3.22Å; I1682-V1686 PolarHBondContact O-N 2.92Å; F1683-V1686 CarbonylContact O-C 3.57Å; F1683-V1686 PolarHBondContact O-N 3.28Å; V1686-G1690 WeakPolarHBondContact O-CA 3.29Å; V1686-G1690 PolarHBondContact O-N 2.97Å |
| 1687 | A | 53.3 | Low | 54.8 | Low | 15 Ų | 15 | 73 Ų | 73 | 12% | 0.124 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -102.9 | -41 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1683 F1685 K1689 G1690 L1691 | F1683-A1687 WeakPolarHBondContact O-CA 3.42Å; F1683-A1687 WeakPolarHBondContact O-CB 3.32Å; F1683-A1687 PolarHBondContact O-N 2.86Å; F1685-A1687 PolarHBondContact O-N 3.45Å; A1687-K1689 PolarHBondContact O-N 3.19Å; A1687-G1690 PolarHBondContact O-N 3.03Å; A1687-L1691 HydrophobicContact CB-CD1 3.63Å; A1687-L1691 HydrophobicContact CB-CG 3.68Å; A1687-L1691 VanDerWaalsContact O-CA 3.31Å; A1687-L1691 WeakPolarHBondContact O-CA 3.33Å; A1687-L1691 WeakPolarHBondContact O-CB 3.49Å; A1687-L1691 VanDerWaalsContact O-CG 3.22Å; A1687-L1691 WeakPolarHBondContact O-CG 3.31Å; A1687-L1691 PolarHBondContact O-N 2.82Å |
| 1688 | S | 52.2 | Low | 54.9 | Low | 53 Ų | 53 | 74.4 Ų | 74.4 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.3 | -28.2 | 168 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | Y1684 F1685 | Y1684-S1688 WeakPolarHBondContact O-CA 3.31Å; Y1684-S1688 WeakPolarHBondContact O-CB 3.41Å; Y1684-S1688 PolarHBondContact O-N 3Å; Y1684-S1688 PolarHBondContact O-OG 3.46Å; F1685-S1688 PolarHBondContact O-OG 3.47Å |
| 1689 | K | 48.8 | Very low | 56 | Low | 79 Ų | 79 | 70.9 Ų | 70.9 | 34% | 0.343 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 12.9 | 175.6 | -59.9 | -160 | 170.5 | -171.5 | 0 | 115.7 | F1685 A1687 S1692 N1919 | F1685-K1689 HydrophobicContact CE2-CD 4.45Å; F1685-K1689 HydrophobicContact CZ-CD 4.49Å; F1685-K1689 VanDerWaalsContact O-CB 3.28Å; F1685-K1689 WeakPolarHBondContact O-CB 3.27Å; F1685-K1689 PolarHBondContact O-N 2.85Å; A1687-K1689 PolarHBondContact O-N 3.19Å; K1689-S1692 PolarHBondContact O-OG 3.15Å; K1689-N1919 HydrophobicContact CB-CB 4.48Å; K1689-N1919 HydrophobicContact CD-CB 3.9Å; K1689-N1919 WeakPolarHBondContact CD-OD1 3.4Å; K1689-N1919 PolarHBondContact NZ-OD1 2.61Å |
| 1690 | G | 53.7 | Low | 57.3 | Low | 17 Ų | 17 | 70.7 Ų | 70.7 | 18% | 0.175 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -148.2 | -15.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1686 A1687 S1692 T1693 | V1686-G1690 WeakPolarHBondContact O-CA 3.29Å; V1686-G1690 PolarHBondContact O-N 2.97Å; A1687-G1690 PolarHBondContact O-N 3.03Å; G1690-S1692 PolarHBondContact N-OG 2.91Å; G1690-T1693 WeakPolarHBondContact O-CB 3.49Å; G1690-T1693 PolarHBondContact O-N 3.29Å; G1690-T1693 PolarHBondContact O-OG1 3.24Å |
| 1691 | L | 61 | Low | 58.2 | Low | 71 Ų | 71 | 72.7 Ų | 72.7 | 37% | 0.372 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.1 | -14.9 | 150.8 | -54.6 | 165 | 0 | 0 | 0 | 110.9 | A1687 T1693 F1694 F1695 | A1687-L1691 HydrophobicContact CB-CD1 3.63Å; A1687-L1691 HydrophobicContact CB-CG 3.68Å; A1687-L1691 VanDerWaalsContact O-CA 3.31Å; A1687-L1691 WeakPolarHBondContact O-CA 3.33Å; A1687-L1691 WeakPolarHBondContact O-CB 3.49Å; A1687-L1691 VanDerWaalsContact O-CG 3.22Å; A1687-L1691 WeakPolarHBondContact O-CG 3.31Å; A1687-L1691 PolarHBondContact O-N 2.82Å; L1691-T1693 PolarHBondContact O-N 3.05Å; L1691-F1694 HydrophobicContact CD2-CD2 3.89Å; L1691-F1694 HydrophobicContact CD2-CE2 4.44Å; L1691-F1694 PolarHBondContact O-N 3.41Å; L1691-F1695 HydrophobicContact CB-CD2 3.69Å; L1691-F1695 HydrophobicContact CB-CE2 3.8Å; L1691-F1695 HydrophobicContact CD1-CE2 4.09Å; L1691-F1695 HydrophobicContact CD2-CE2 4.23Å; L1691-F1695 HydrophobicContact CG-CE2 4.26Å; L1691-F1695 WeakPolarHBondContact O-CB 3.46Å; L1691-F1695 WeakPolarHBondContact O-CD2 3.06Å; L1691-F1695 PolarHBondContact O-N 2.82Å |
| 1692 | S | 56.4 | Low | 59.6 | Low | 34 Ų | 34 | 78 Ų | 78 | 24% | 0.238 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -56.2 | -42.7 | 166.3 | 52.7 | 0 | 0 | 0 | 0 | 110.4 | K1689 G1690 F1694 F1695 V1696 D1697 | K1689-S1692 PolarHBondContact O-OG 3.15Å; G1690-S1692 PolarHBondContact N-OG 2.91Å; S1692-F1694 PolarHBondContact O-N 3.05Å; S1692-F1695 PolarHBondContact O-N 3.48Å; S1692-V1696 WeakPolarHBondContact O-CA 3.03Å; S1692-V1696 VanDerWaalsContact O-CB 3.25Å; S1692-V1696 WeakPolarHBondContact O-CB 3.42Å; S1692-V1696 PolarHBondContact O-N 2.97Å; S1692-D1697 PolarHBondContact O-N 3.29Å |
| 1693 | T | 58.3 | Low | 61 | Low | 10 Ų | 10 | 78.2 Ų | 78.2 | 6% | 0.061 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -53.7 | -40.1 | 172.2 | -43 | 0 | 0 | 0 | 0 | 111.8 | G1690 L1691 D1697 K1698 I1699 V1723 V1916 | G1690-T1693 WeakPolarHBondContact O-CB 3.49Å; G1690-T1693 PolarHBondContact O-N 3.29Å; G1690-T1693 PolarHBondContact O-OG1 3.24Å; L1691-T1693 PolarHBondContact O-N 3.05Å; T1693-D1697 WeakPolarHBondContact CA-OD2 3.32Å; T1693-D1697 CarbonylContact O-C 3.53Å; T1693-D1697 WeakPolarHBondContact O-CB 3.38Å; T1693-K1698 PolarHBondContact O-N 2.9Å; T1693-I1699 HydrophobicContact CG2-CB 4.31Å; T1693-I1699 HydrophobicContact CG2-CD1 3.43Å; T1693-I1699 VanDerWaalsContact CG2-CD1 3.43Å; T1693-I1699 HydrophobicContact CG2-CG1 4.46Å; T1693-I1699 WeakPolarHBondContact O-CB 3.48Å; T1693-I1699 PolarHBondContact O-N 3.21Å; T1693-I1699 VanDerWaalsContact O-N 3.16Å; T1693-V1723 HydrophobicContact CG2-CG2 4.39Å; T1693-V1916 HydrophobicContact CG2-CG1 4.32Å |
| 1694 | F | 66.7 | Low | 62.2 | Low | 35 Ų | 35 | 72.9 Ų | 72.9 | 15% | 0.154 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -86.7 | -35.7 | -177.6 | -51 | -46.6 | 0 | 0 | 0 | 114.7 | L1691 S1692 K1698 I1699 V1701 F1704 | L1691-F1694 HydrophobicContact CD2-CD2 3.89Å; L1691-F1694 HydrophobicContact CD2-CE2 4.44Å; L1691-F1694 PolarHBondContact O-N 3.41Å; S1692-F1694 PolarHBondContact O-N 3.05Å; F1694-K1698 WeakPolarHBondContact O-CA 3.3Å; F1694-I1699 VanDerWaalsContact CA-O 3.29Å; F1694-I1699 WeakPolarHBondContact CA-O 3.5Å; F1694-I1699 HydrophobicContact CD1-CB 4.34Å; F1694-I1699 HydrophobicContact CD1-CG2 4.1Å; F1694-I1699 HydrophobicContact CE1-CG2 4.22Å; F1694-V1701 HydrophobicContact CB-CG2 4.13Å; F1694-V1701 HydrophobicContact CD1-CG2 3.92Å; F1694-V1701 HydrophobicContact CD2-CG2 3.73Å; F1694-V1701 HydrophobicContact CE1-CG2 4.31Å; F1694-V1701 HydrophobicContact CE2-CG2 4.13Å; F1694-V1701 HydrophobicContact CG-CG2 3.63Å; F1694-V1701 HydrophobicContact CZ-CG2 4.41Å; F1694-F1704 HydrophobicContact CE1-CB 3.55Å; F1694-F1704 HydrophobicContact CE1-CD1 4.03Å; F1694-F1704 AromaticContact CE1-CD2 3.93Å; F1694-F1704 HydrophobicContact CE1-CD2 3.93Å; F1694-F1704 AromaticContact CE1-CG 3.59Å; F1694-F1704 HydrophobicContact CE1-CG 3.59Å; F1694-F1704 HydrophobicContact CZ-CB 4.13Å; F1694-F1704 AromaticContact CZ-CD1 3.71Å; F1694-F1704 HydrophobicContact CZ-CD1 3.71Å; F1694-F1704 HydrophobicContact CZ-CD2 4.13Å; F1694-F1704 HydrophobicContact CZ-CE1 4.09Å; F1694-F1704 HydrophobicContact CZ-CE2 4.47Å; F1694-F1704 AromaticContact CZ-CG 3.74Å; F1694-F1704 HydrophobicContact CZ-CG 3.74Å; F1694-F1704 HydrophobicContact CZ-CZ 4.45Å |
| 1695 | F | 65.1 | Low | 63.1 | Low | 155 Ų | 155 | 68.5 Ų | 68.5 | 68% | 0.68 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -99.4 | -36 | -174.4 | -65 | -52.5 | 0 | 0 | 0 | 114.3 | L1691 S1692 | L1691-F1695 HydrophobicContact CB-CD2 3.69Å; L1691-F1695 HydrophobicContact CB-CE2 3.8Å; L1691-F1695 HydrophobicContact CD1-CE2 4.09Å; L1691-F1695 HydrophobicContact CD2-CE2 4.23Å; L1691-F1695 HydrophobicContact CG-CE2 4.26Å; L1691-F1695 WeakPolarHBondContact O-CB 3.46Å; L1691-F1695 WeakPolarHBondContact O-CD2 3.06Å; L1691-F1695 PolarHBondContact O-N 2.82Å; S1692-F1695 PolarHBondContact O-N 3.48Å |
| 1696 | V | 61.4 | Low | 64.8 | Low | 108 Ų | 108 | 69.7 Ų | 69.7 | 66% | 0.655 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -54.4 | 178.8 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | S1692 K1698 | S1692-V1696 WeakPolarHBondContact O-CA 3.03Å; S1692-V1696 VanDerWaalsContact O-CB 3.25Å; S1692-V1696 WeakPolarHBondContact O-CB 3.42Å; S1692-V1696 PolarHBondContact O-N 2.97Å; V1696-K1698 PolarHBondContact O-N 3.28Å |
| 1697 | D | 61.5 | Low | 66.5 | Low | 60 Ų | 60 | 66.5 Ų | 66.5 | 32% | 0.321 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -82.3 | -1.9 | -178.1 | -48.6 | -49.3 | 0 | 0 | 0 | 112.7 | S1692 T1693 I1699 | S1692-D1697 PolarHBondContact O-N 3.29Å; T1693-D1697 WeakPolarHBondContact CA-OD2 3.32Å; T1693-D1697 CarbonylContact O-C 3.53Å; T1693-D1697 WeakPolarHBondContact O-CB 3.38Å; D1697-I1699 HydrophobicContact CB-CD1 3.92Å; D1697-I1699 PolarHBondContact O-N 3.47Å; D1697-I1699 VanDerWaalsContact O-N 3.12Å |
| 1698 | K | 66.2 | Low | 67.8 | Low | 152 Ų | 152 | 69.2 Ų | 69.2 | 66% | 0.661 | 36% | 0.361 | S | S | * | . | trans | 54 | 28.9 | 174.5 | -62.2 | -177.4 | -178.1 | 177 | 0 | 114.9 | T1693 F1694 V1696 K1720 | T1693-K1698 PolarHBondContact O-N 2.9Å; F1694-K1698 WeakPolarHBondContact O-CA 3.3Å; V1696-K1698 PolarHBondContact O-N 3.28Å; K1698-K1720 PolarHBondContact O-NZ 2.92Å | ||
| 1699 | I | 68.7 | Low | 69 | Low | 9 Ų | 9 | 69.9 Ų | 69.9 | 5% | 0.046 | 36% | 0.362 | C | S | . | . | trans | -71.1 | 138.6 | 168.3 | -69.2 | 143 | 0 | 0 | 0 | 108.5 | T1693 F1694 D1697 F1704 P1721 V1723 | T1693-I1699 HydrophobicContact CG2-CB 4.31Å; T1693-I1699 HydrophobicContact CG2-CD1 3.43Å; T1693-I1699 VanDerWaalsContact CG2-CD1 3.43Å; T1693-I1699 HydrophobicContact CG2-CG1 4.46Å; T1693-I1699 WeakPolarHBondContact O-CB 3.48Å; T1693-I1699 PolarHBondContact O-N 3.21Å; T1693-I1699 VanDerWaalsContact O-N 3.16Å; F1694-I1699 VanDerWaalsContact CA-O 3.29Å; F1694-I1699 WeakPolarHBondContact CA-O 3.5Å; F1694-I1699 HydrophobicContact CD1-CB 4.34Å; F1694-I1699 HydrophobicContact CD1-CG2 4.1Å; F1694-I1699 HydrophobicContact CE1-CG2 4.22Å; D1697-I1699 HydrophobicContact CB-CD1 3.92Å; D1697-I1699 PolarHBondContact O-N 3.47Å; D1697-I1699 VanDerWaalsContact O-N 3.12Å; I1699-F1704 HydrophobicContact CG2-CB 4.14Å; I1699-P1721 HydrophobicContact CD1-CB 4.12Å; I1699-P1721 HydrophobicContact CD1-CG 4.09Å; I1699-V1723 HydrophobicContact CB-CG2 4.22Å; I1699-V1723 HydrophobicContact CD1-CG1 4.34Å; I1699-V1723 HydrophobicContact CD1-CG2 3.7Å; I1699-V1723 HydrophobicContact CG1-CG2 3.95Å; I1699-V1723 HydrophobicContact CG2-CG2 3.42Å; I1699-V1723 VanDerWaalsContact CG2-CG2 3.42Å | ||
| 1700 | N | 75.1 | Confident | 70.5 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | trans | -79.1 | 133.3 | 175.8 | 172.7 | 12.1 | 0 | 0 | 0 | 109.4 | F1702 D1703 F1704 | N1700-F1702 PolarHBondContact O-N 2.92Å; N1700-F1702 WeakPolarHBondContact OD1-CB 3.45Å; N1700-F1702 PolarHBondContact OD1-N 2.7Å; N1700-D1703 HydrophobicContact CB-CB 3.98Å; N1700-D1703 WeakPolarHBondContact CB-OD2 3.47Å; N1700-D1703 PolarHBondContact ND2-OD1 2.74Å; N1700-D1703 PolarHBondContact ND2-OD2 3.07Å; N1700-D1703 PolarHBondContact O-N 2.79Å; N1700-F1704 PolarHBondContact O-N 3.46Å | ||
| 1701 | V | 73.8 | Confident | 71.6 | Confident | 68 Ų | 68 | 71.6 Ų | 71.6 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.7 | -33.2 | 175.8 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | F1694 L1705 | F1694-V1701 HydrophobicContact CB-CG2 4.13Å; F1694-V1701 HydrophobicContact CD1-CG2 3.92Å; F1694-V1701 HydrophobicContact CD2-CG2 3.73Å; F1694-V1701 HydrophobicContact CE1-CG2 4.31Å; F1694-V1701 HydrophobicContact CE2-CG2 4.13Å; F1694-V1701 HydrophobicContact CG-CG2 3.63Å; F1694-V1701 HydrophobicContact CZ-CG2 4.41Å; V1701-L1705 HydrophobicContact CG1-CD1 3.88Å; V1701-L1705 HydrophobicContact CG1-CG 4.27Å; V1701-L1705 WeakPolarHBondContact O-CB 3.26Å; V1701-L1705 WeakPolarHBondContact O-CG 3.35Å; V1701-L1705 PolarHBondContact O-N 3.14Å |
| 1702 | F | 79 | Confident | 72 | Confident | 128 Ų | 128 | 69.6 Ų | 69.6 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69.5 | -43.8 | 176.3 | -152.2 | -86.6 | 0 | 0 | 0 | 111.8 | N1700 F1704 L1705 F1706 | N1700-F1702 PolarHBondContact O-N 2.92Å; N1700-F1702 WeakPolarHBondContact OD1-CB 3.45Å; N1700-F1702 PolarHBondContact OD1-N 2.7Å; F1702-F1704 VanDerWaalsContact C-N 3.26Å; F1702-F1704 PolarHBondContact O-N 2.68Å; F1702-L1705 PolarHBondContact O-N 3.11Å; F1702-F1706 HydrophobicContact CD1-CB 4.3Å; F1702-F1706 AromaticContact CD1-CD2 3.66Å; F1702-F1706 HydrophobicContact CD1-CD2 3.66Å; F1702-F1706 HydrophobicContact CD1-CE2 4.47Å; F1702-F1706 HydrophobicContact CD1-CG 4.34Å; F1702-F1706 AromaticContact CD2-CD2 3.78Å; F1702-F1706 HydrophobicContact CD2-CD2 3.78Å; F1702-F1706 AromaticContact CD2-CE2 3.79Å; F1702-F1706 HydrophobicContact CD2-CE2 3.79Å; F1702-F1706 HydrophobicContact CE1-CB 4.2Å; F1702-F1706 AromaticContact CE1-CD2 3.58Å; F1702-F1706 HydrophobicContact CE1-CD2 3.58Å; F1702-F1706 HydrophobicContact CE1-CE2 4.25Å; F1702-F1706 HydrophobicContact CE1-CG 4.07Å; F1702-F1706 AromaticContact CE2-CD2 3.71Å; F1702-F1706 HydrophobicContact CE2-CD2 3.71Å; F1702-F1706 AromaticContact CE2-CE2 3.54Å; F1702-F1706 HydrophobicContact CE2-CE2 3.54Å; F1702-F1706 HydrophobicContact CE2-CZ 4.49Å; F1702-F1706 AromaticContact CG-CD2 3.76Å; F1702-F1706 HydrophobicContact CG-CD2 3.76Å; F1702-F1706 HydrophobicContact CG-CE2 4.26Å; F1702-F1706 AromaticContact CZ-CD2 3.61Å; F1702-F1706 HydrophobicContact CZ-CD2 3.61Å; F1702-F1706 AromaticContact CZ-CE2 3.78Å; F1702-F1706 HydrophobicContact CZ-CE2 3.78Å; F1702-F1706 HydrophobicContact CZ-CG 4.29Å; F1702-F1706 WeakPolarHBondContact O-CB 3.45Å; F1702-F1706 WeakPolarHBondContact O-CD2 3.48Å; F1702-F1706 PolarHBondContact O-N 2.86Å |
| 1703 | D | 75.1 | Confident | 72.4 | Confident | 85 Ų | 85 | 73.2 Ų | 73.2 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.4 | -23 | 178.3 | -55.9 | -28.5 | 0 | 0 | 0 | 111.9 | N1700 G1707 | N1700-D1703 HydrophobicContact CB-CB 3.98Å; N1700-D1703 WeakPolarHBondContact CB-OD2 3.47Å; N1700-D1703 PolarHBondContact ND2-OD1 2.74Å; N1700-D1703 PolarHBondContact ND2-OD2 3.07Å; N1700-D1703 PolarHBondContact O-N 2.79Å; D1703-G1707 WeakPolarHBondContact O-CA 3.23Å; D1703-G1707 PolarHBondContact O-N 2.83Å |
| 1704 | F | 79.1 | Confident | 72.8 | Confident | 48 Ų | 48 | 74.1 Ų | 74.1 | 21% | 0.211 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -75.4 | -54.6 | 167.8 | 175.7 | -89 | 0 | 0 | 0 | 111.9 | F1694 I1699 N1700 F1702 F1706 W1710 V1723 A1725 | F1694-F1704 HydrophobicContact CE1-CB 3.55Å; F1694-F1704 HydrophobicContact CE1-CD1 4.03Å; F1694-F1704 AromaticContact CE1-CD2 3.93Å; F1694-F1704 HydrophobicContact CE1-CD2 3.93Å; F1694-F1704 AromaticContact CE1-CG 3.59Å; F1694-F1704 HydrophobicContact CE1-CG 3.59Å; F1694-F1704 HydrophobicContact CZ-CB 4.13Å; F1694-F1704 AromaticContact CZ-CD1 3.71Å; F1694-F1704 HydrophobicContact CZ-CD1 3.71Å; F1694-F1704 HydrophobicContact CZ-CD2 4.13Å; F1694-F1704 HydrophobicContact CZ-CE1 4.09Å; F1694-F1704 HydrophobicContact CZ-CE2 4.47Å; F1694-F1704 AromaticContact CZ-CG 3.74Å; F1694-F1704 HydrophobicContact CZ-CG 3.74Å; F1694-F1704 HydrophobicContact CZ-CZ 4.45Å; I1699-F1704 HydrophobicContact CG2-CB 4.14Å; N1700-F1704 PolarHBondContact O-N 3.46Å; F1702-F1704 VanDerWaalsContact C-N 3.26Å; F1702-F1704 PolarHBondContact O-N 2.68Å; F1704-F1706 PolarHBondContact O-N 2.87Å; F1704-W1710 HydrophobicContact CD2-CZ3 4.36Å; F1704-W1710 HydrophobicContact CE2-CH2 4.28Å; F1704-W1710 AromaticContact CE2-CZ3 3.8Å; F1704-W1710 HydrophobicContact CE2-CZ3 3.8Å; F1704-V1723 HydrophobicContact CD2-CB 4.13Å; F1704-V1723 HydrophobicContact CD2-CG2 3.84Å; F1704-V1723 WeakPolarHBondContact CD2-O 3.42Å; F1704-A1725 HydrophobicContact CD1-CB 4.19Å; F1704-A1725 HydrophobicContact CD2-CB 4.47Å; F1704-A1725 HydrophobicContact CE1-CB 3.9Å; F1704-A1725 HydrophobicContact CE2-CB 4.21Å; F1704-A1725 HydrophobicContact CG-CB 4.46Å; F1704-A1725 HydrophobicContact CZ-CB 3.92Å; F1704-A1725 WeakPolarHBondContact O-CB 3.24Å; F1704-A1725 PolarHBondContact O-N 2.86Å |
| 1705 | L | 78.8 | Confident | 72.8 | Confident | 71 Ų | 71 | 77.3 Ų | 77.3 | 37% | 0.372 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.3 | -30.1 | -175.2 | -69.8 | 177.9 | 0 | 0 | 0 | 113.6 | V1701 F1702 L1726 I1729 | V1701-L1705 HydrophobicContact CG1-CD1 3.88Å; V1701-L1705 HydrophobicContact CG1-CG 4.27Å; V1701-L1705 WeakPolarHBondContact O-CB 3.26Å; V1701-L1705 WeakPolarHBondContact O-CG 3.35Å; V1701-L1705 PolarHBondContact O-N 3.14Å; F1702-L1705 PolarHBondContact O-N 3.11Å; L1705-L1726 WeakPolarHBondContact O-CB 3.3Å; L1705-I1729 HydrophobicContact CD2-CD1 4.01Å |
| 1706 | F | 80.7 | Confident | 72.9 | Confident | 109 Ų | 109 | 70.5 Ų | 70.5 | 48% | 0.478 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -115.6 | -5.8 | -176.7 | -58.4 | -75 | 0 | 0 | 0 | 114.3 | F1702 F1704 L1726 | F1702-F1706 HydrophobicContact CD1-CB 4.3Å; F1702-F1706 AromaticContact CD1-CD2 3.66Å; F1702-F1706 HydrophobicContact CD1-CD2 3.66Å; F1702-F1706 HydrophobicContact CD1-CE2 4.47Å; F1702-F1706 HydrophobicContact CD1-CG 4.34Å; F1702-F1706 AromaticContact CD2-CD2 3.78Å; F1702-F1706 HydrophobicContact CD2-CD2 3.78Å; F1702-F1706 AromaticContact CD2-CE2 3.79Å; F1702-F1706 HydrophobicContact CD2-CE2 3.79Å; F1702-F1706 HydrophobicContact CE1-CB 4.2Å; F1702-F1706 AromaticContact CE1-CD2 3.58Å; F1702-F1706 HydrophobicContact CE1-CD2 3.58Å; F1702-F1706 HydrophobicContact CE1-CE2 4.25Å; F1702-F1706 HydrophobicContact CE1-CG 4.07Å; F1702-F1706 AromaticContact CE2-CD2 3.71Å; F1702-F1706 HydrophobicContact CE2-CD2 3.71Å; F1702-F1706 AromaticContact CE2-CE2 3.54Å; F1702-F1706 HydrophobicContact CE2-CE2 3.54Å; F1702-F1706 HydrophobicContact CE2-CZ 4.49Å; F1702-F1706 AromaticContact CG-CD2 3.76Å; F1702-F1706 HydrophobicContact CG-CD2 3.76Å; F1702-F1706 HydrophobicContact CG-CE2 4.26Å; F1702-F1706 AromaticContact CZ-CD2 3.61Å; F1702-F1706 HydrophobicContact CZ-CD2 3.61Å; F1702-F1706 AromaticContact CZ-CE2 3.78Å; F1702-F1706 HydrophobicContact CZ-CE2 3.78Å; F1702-F1706 HydrophobicContact CZ-CG 4.29Å; F1702-F1706 WeakPolarHBondContact O-CB 3.45Å; F1702-F1706 WeakPolarHBondContact O-CD2 3.48Å; F1702-F1706 PolarHBondContact O-N 2.86Å; F1704-F1706 PolarHBondContact O-N 2.87Å; F1706-L1726 HydrophobicContact CD1-CD1 4.44Å; F1706-L1726 WeakPolarHBondContact O-CD2 3.48Å |
| 1707 | G | 81.3 | Confident | 73.1 | Confident | 19 Ų | 19 | 72.5 Ų | 72.5 | 20% | 0.196 | 40% | 0.403 | C | S | . | . | trans | -65.4 | 141.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1703 G1724 L1726 | D1703-G1707 WeakPolarHBondContact O-CA 3.23Å; D1703-G1707 PolarHBondContact O-N 2.83Å; G1707-G1724 VanDerWaalsContact C-CA 3.47Å; G1707-G1724 CarbonylContact O-C 3.59Å; G1707-G1724 WeakPolarHBondContact O-CA 3.45Å; G1707-L1726 VanDerWaalsContact O-CB 3.23Å; G1707-L1726 WeakPolarHBondContact O-CB 3.34Å; G1707-L1726 PolarHBondContact O-N 3.26Å | ||
| 1708 | T | 80.3 | Confident | 73.3 | Confident | 73 Ų | 73 | 74.5 Ų | 74.5 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -96.1 | -2 | -170.3 | 51.5 | 0 | 0 | 0 | 0 | 114.7 | L1726 P1727 M1889 | T1708-L1726 HydrophobicContact CG2-CD2 4.44Å; T1708-P1727 WeakPolarHBondContact O-CG 3.49Å; T1708-M1889 HydrophobicContact CG2-CG 3.65Å; T1708-M1889 HydrophobicContact CG2-SD 4.1Å |
| 1709 | V | 78.5 | Confident | 73.3 | Confident | 66 Ų | 66 | 69.9 Ų | 69.9 | 40% | 0.4 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -128.1 | 114.9 | -174 | -178.5 | 0 | 0 | 0 | 0 | 110 | L1722 G1724 | V1709-L1722 HydrophobicContact CG1-CB 4.36Å; V1709-L1722 HydrophobicContact CG1-CD1 4.28Å; V1709-L1722 CarbonylContact O-C 3.53Å; V1709-G1724 WeakPolarHBondContact O-CA 3.47Å; V1709-G1724 PolarHBondContact O-N 3.09Å |
| 1710 | W | 80.3 | Confident | 73.2 | Confident | 64 Ų | 64 | 72.8 Ų | 72.8 | 24% | 0.242 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 102.4 | 172.3 | -177.1 | -94.9 | 0 | 0 | 0 | 110.5 | F1704 P1712 V1723 G1724 A1725 M1728 A1887 | F1704-W1710 HydrophobicContact CD2-CZ3 4.36Å; F1704-W1710 HydrophobicContact CE2-CH2 4.28Å; F1704-W1710 AromaticContact CE2-CZ3 3.8Å; F1704-W1710 HydrophobicContact CE2-CZ3 3.8Å; W1710-P1712 HydrophobicContact CD2-CG 4.17Å; W1710-P1712 HydrophobicContact CH2-CG 4.27Å; W1710-P1712 HydrophobicContact CZ2-CG 3.68Å; W1710-V1723 HydrophobicContact CE3-CB 4.27Å; W1710-V1723 HydrophobicContact CZ3-CB 3.94Å; W1710-V1723 WeakPolarHBondContact CZ3-O 3.41Å; W1710-G1724 WeakPolarHBondContact CB-O 3.34Å; W1710-A1725 HydrophobicContact CE3-CB 4.39Å; W1710-A1725 HydrophobicContact CZ3-CB 4.26Å; W1710-M1728 HydrophobicContact CD2-CE 3.41Å; W1710-M1728 VanDerWaalsContact CD2-CE 3.41Å; W1710-M1728 HydrophobicContact CD2-SD 4.3Å; W1710-M1728 HydrophobicContact CE3-CE 3.33Å; W1710-M1728 HydrophobicContact CG-CE 4.03Å; W1710-M1728 HydrophobicContact CG-SD 4.5Å; W1710-M1728 HydrophobicContact CH2-CE 3.96Å; W1710-M1728 HydrophobicContact CZ2-CE 4.02Å; W1710-M1728 HydrophobicContact CZ3-CE 3.62Å; W1710-A1887 HydrophobicContact CB-CB 3.72Å; W1710-A1887 HydrophobicContact CG-CB 4.05Å |
| 1711 | N | 76.8 | Confident | 72.8 | Confident | 69 Ų | 69 | 71.5 Ų | 71.5 | 37% | 0.369 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 77.6 | 169.9 | -171 | 2.3 | 0 | 0 | 0 | 110.2 | S1713 A1714 L1722 | N1711-S1713 PolarHBondContact O-N 3.2Å; N1711-S1713 PolarHBondContact OD1-OG 3.48Å; N1711-A1714 HydrophobicContact CB-CB 4.33Å; N1711-A1714 VanDerWaalsContact ND2-CB 3.34Å; N1711-A1714 WeakPolarHBondContact ND2-CB 3.45Å; N1711-A1714 PolarHBondContact O-N 2.73Å; N1711-L1722 CarbonylContact C-O 3.5Å; N1711-L1722 WeakPolarHBondContact CA-O 3.44Å; N1711-L1722 HydrophobicContact CB-CB 4.44Å; N1711-L1722 PolarHBondContact N-O 2.85Å |
| 1712 | P | 69.7 | Low | 72.9 | Confident | 28 Ų | 28 | 71 Ų | 71 | 18% | 0.182 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | -19.9 | -172.7 | -24.1 | 33.8 | 0 | 0 | 0 | 115.3 | W1710 V1723 | W1710-P1712 HydrophobicContact CD2-CG 4.17Å; W1710-P1712 HydrophobicContact CH2-CG 4.27Å; W1710-P1712 HydrophobicContact CZ2-CG 3.68Å; P1712-V1723 HydrophobicContact CB-CG1 3.95Å; P1712-V1723 HydrophobicContact CG-CG1 4.13Å |
| 1713 | S | 63.9 | Low | 72.7 | Confident | 110 Ų | 110 | 65.3 Ų | 65.3 | 77% | 0.769 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -0.2 | 179 | 48.8 | 0 | 0 | 0 | 0 | 114.2 | N1711 | N1711-S1713 PolarHBondContact O-N 3.2Å; N1711-S1713 PolarHBondContact OD1-OG 3.48Å |
| 1714 | A | 66.9 | Low | 73.1 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 24% | 0.24 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 139.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | N1711 L1722 | N1711-A1714 HydrophobicContact CB-CB 4.33Å; N1711-A1714 VanDerWaalsContact ND2-CB 3.34Å; N1711-A1714 WeakPolarHBondContact ND2-CB 3.45Å; N1711-A1714 PolarHBondContact O-N 2.73Å; A1714-L1722 HydrophobicContact CB-CD1 4.35Å; A1714-L1722 PolarHBondContact O-N 2.88Å |
| 1715 | T | 67.3 | Low | 73.1 | Confident | 102 Ų | 102 | 59.2 Ų | 59.2 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 141.6 | 173.7 | 43.3 | 0 | 0 | 0 | 0 | 112.2 | K1720 | T1715-K1720 CarbonylContact C-O 3.52Å; T1715-K1720 VanDerWaalsContact CA-O 3.26Å; T1715-K1720 WeakPolarHBondContact CA-O 3.39Å |
| 1716 | G | 66 | Low | 73.4 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 12% | 0.124 | 35% | 0.349 | C | S | . | . | trans | -78.8 | 176.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1718 G1719 K1720 | G1716-D1718 PolarHBondContact O-N 2.75Å; G1716-D1718 VanDerWaalsContact O-N 3.12Å; G1716-G1719 PolarHBondContact O-N 2.81Å; G1716-K1720 PolarHBondContact N-O 3.22Å | ||
| 1717 | P | 67.2 | Low | 73.5 | Confident | 150 Ų | 150 | 52.3 Ų | 52.3 | 97% | 0.974 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -16.4 | 177 | -22.5 | 34.4 | 0 | 0 | 0 | 114.7 | ||
| 1718 | D | 64.2 | Low | 73.6 | Confident | 103 Ų | 103 | 51.5 Ų | 51.5 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -0.3 | 173.7 | 71.1 | -29.8 | 0 | 0 | 0 | 113.3 | G1716 K1720 | G1716-D1718 PolarHBondContact O-N 2.75Å; G1716-D1718 VanDerWaalsContact O-N 3.12Å; D1718-K1720 PolarHBondContact OD1-N 2.84Å; D1718-K1720 VanDerWaalsContact OD1-N 3.16Å; D1718-K1720 WeakPolarHBondContact OD2-CB 3.44Å; D1718-K1720 VanDerWaalsContact OD2-CD 3.25Å; D1718-K1720 WeakPolarHBondContact OD2-CD 3.42Å; D1718-K1720 VanDerWaalsContact OD2-CG 3.22Å; D1718-K1720 WeakPolarHBondContact OD2-CG 3.29Å |
| 1719 | G | 66.4 | Low | 73.6 | Confident | 54 Ų | 54 | 50.4 Ų | 50.4 | 56% | 0.557 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 81.6 | 3.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1716 | G1716-G1719 PolarHBondContact O-N 2.81Š|
| 1720 | K | 67.7 | Low | 73.8 | Confident | 70 Ų | 70 | 49.6 Ų | 49.6 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -95.2 | 153.3 | -178 | -63.3 | -169.7 | -168.9 | -171.2 | 0 | 113.3 | K1698 T1715 G1716 D1718 | K1698-K1720 PolarHBondContact O-NZ 2.92Å; T1715-K1720 CarbonylContact C-O 3.52Å; T1715-K1720 VanDerWaalsContact CA-O 3.26Å; T1715-K1720 WeakPolarHBondContact CA-O 3.39Å; G1716-K1720 PolarHBondContact N-O 3.22Å; D1718-K1720 PolarHBondContact OD1-N 2.84Å; D1718-K1720 VanDerWaalsContact OD1-N 3.16Å; D1718-K1720 WeakPolarHBondContact OD2-CB 3.44Å; D1718-K1720 VanDerWaalsContact OD2-CD 3.25Å; D1718-K1720 WeakPolarHBondContact OD2-CD 3.42Å; D1718-K1720 VanDerWaalsContact OD2-CG 3.22Å; D1718-K1720 WeakPolarHBondContact OD2-CG 3.29Å |
| 1721 | P | 66 | Low | 73.9 | Confident | 43 Ų | 43 | 46.6 Ų | 46.6 | 28% | 0.279 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 135.6 | 172 | -21.4 | 33.6 | 0 | 0 | 0 | 112.7 | I1699 V1723 | I1699-P1721 HydrophobicContact CD1-CB 4.12Å; I1699-P1721 HydrophobicContact CD1-CG 4.09Å; P1721-V1723 HydrophobicContact CB-CG1 4.15Å; P1721-V1723 PolarHBondContact O-N 3.1Å; P1721-V1723 VanDerWaalsContact O-N 3.14Å |
| 1722 | L | 75.4 | Confident | 74.1 | Confident | 58 Ų | 58 | 43.4 Ų | 43.4 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 91.1 | 179.8 | -64.6 | 172 | 0 | 0 | 0 | 110.9 | V1709 N1711 A1714 | V1709-L1722 HydrophobicContact CG1-CB 4.36Å; V1709-L1722 HydrophobicContact CG1-CD1 4.28Å; V1709-L1722 CarbonylContact O-C 3.53Å; N1711-L1722 CarbonylContact C-O 3.5Å; N1711-L1722 WeakPolarHBondContact CA-O 3.44Å; N1711-L1722 HydrophobicContact CB-CB 4.44Å; N1711-L1722 PolarHBondContact N-O 2.85Å; A1714-L1722 HydrophobicContact CB-CD1 4.35Å; A1714-L1722 PolarHBondContact O-N 2.88Å |
| 1723 | V | 75.8 | Confident | 74.8 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 5% | 0.048 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 39.8 | -174 | -61.1 | 0 | 0 | 0 | 0 | 114 | T1693 I1699 F1704 W1710 P1712 P1721 A1725 | T1693-V1723 HydrophobicContact CG2-CG2 4.39Å; I1699-V1723 HydrophobicContact CB-CG2 4.22Å; I1699-V1723 HydrophobicContact CD1-CG1 4.34Å; I1699-V1723 HydrophobicContact CD1-CG2 3.7Å; I1699-V1723 HydrophobicContact CG1-CG2 3.95Å; I1699-V1723 HydrophobicContact CG2-CG2 3.42Å; I1699-V1723 VanDerWaalsContact CG2-CG2 3.42Å; F1704-V1723 HydrophobicContact CD2-CB 4.13Å; F1704-V1723 HydrophobicContact CD2-CG2 3.84Å; F1704-V1723 WeakPolarHBondContact CD2-O 3.42Å; W1710-V1723 HydrophobicContact CE3-CB 4.27Å; W1710-V1723 HydrophobicContact CZ3-CB 3.94Å; W1710-V1723 WeakPolarHBondContact CZ3-O 3.41Å; P1712-V1723 HydrophobicContact CB-CG1 3.95Å; P1712-V1723 HydrophobicContact CG-CG1 4.13Å; P1721-V1723 HydrophobicContact CB-CG1 4.15Å; P1721-V1723 PolarHBondContact O-N 3.1Å; P1721-V1723 VanDerWaalsContact O-N 3.14Å; V1723-A1725 PolarHBondContact O-N 3.22Å; V1723-A1725 VanDerWaalsContact O-N 3.1Å |
| 1724 | G | 82.5 | Confident | 75.8 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | trans | -68.2 | 103 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1707 V1709 W1710 P1727 | G1707-G1724 VanDerWaalsContact C-CA 3.47Å; G1707-G1724 CarbonylContact O-C 3.59Å; G1707-G1724 WeakPolarHBondContact O-CA 3.45Å; V1709-G1724 WeakPolarHBondContact O-CA 3.47Å; V1709-G1724 PolarHBondContact O-N 3.09Å; W1710-G1724 WeakPolarHBondContact CB-O 3.34Å; G1724-P1727 VanDerWaalsContact O-CD 3.31Å; G1724-P1727 WeakPolarHBondContact O-CD 3.45Å | ||
| 1725 | A | 79.4 | Confident | 76.7 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | trans | -83.9 | -8.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F1704 W1710 V1723 P1727 M1728 I1729 | F1704-A1725 HydrophobicContact CD1-CB 4.19Å; F1704-A1725 HydrophobicContact CD2-CB 4.47Å; F1704-A1725 HydrophobicContact CE1-CB 3.9Å; F1704-A1725 HydrophobicContact CE2-CB 4.21Å; F1704-A1725 HydrophobicContact CG-CB 4.46Å; F1704-A1725 HydrophobicContact CZ-CB 3.92Å; F1704-A1725 WeakPolarHBondContact O-CB 3.24Å; F1704-A1725 PolarHBondContact O-N 2.86Å; W1710-A1725 HydrophobicContact CE3-CB 4.39Å; W1710-A1725 HydrophobicContact CZ3-CB 4.26Å; V1723-A1725 PolarHBondContact O-N 3.22Å; V1723-A1725 VanDerWaalsContact O-N 3.1Å; A1725-P1727 VanDerWaalsContact C-N 3.34Å; A1725-M1728 HydrophobicContact CB-CE 3.77Å; A1725-M1728 PolarHBondContact O-N 2.86Å; A1725-M1728 VanDerWaalsContact O-N 3.07Å; A1725-I1729 HydrophobicContact CB-CD1 4.15Å; A1725-I1729 WeakPolarHBondContact O-CG1 3.33Å; A1725-I1729 PolarHBondContact O-N 3.07Å; A1725-I1729 VanDerWaalsContact O-N 3.09Å | ||
| 1726 | L | 84.9 | Confident | 77.4 | Confident | 35 Ų | 35 | 40.2 Ų | 40.2 | 18% | 0.183 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -51.9 | -41.3 | -178.8 | -173.1 | 62.2 | 0 | 0 | 0 | 114 | L1705 F1706 G1707 T1708 M1728 I1729 L1730 M1889 | L1705-L1726 WeakPolarHBondContact O-CB 3.3Å; F1706-L1726 HydrophobicContact CD1-CD1 4.44Å; F1706-L1726 WeakPolarHBondContact O-CD2 3.48Å; G1707-L1726 VanDerWaalsContact O-CB 3.23Å; G1707-L1726 WeakPolarHBondContact O-CB 3.34Å; G1707-L1726 PolarHBondContact O-N 3.26Å; T1708-L1726 HydrophobicContact CG2-CD2 4.44Å; L1726-M1728 VanDerWaalsContact C-N 3.33Å; L1726-M1728 PolarHBondContact O-N 3.26Å; L1726-I1729 PolarHBondContact O-N 3.25Å; L1726-L1730 HydrophobicContact CD1-CD1 4.08Å; L1726-L1730 HydrophobicContact CD1-CG 4.12Å; L1726-L1730 HydrophobicContact CD2-CD1 4.4Å; L1726-L1730 HydrophobicContact CG-CD1 3.89Å; L1726-L1730 HydrophobicContact CG-CG 4.36Å; L1726-L1730 WeakPolarHBondContact O-CB 3.41Å; L1726-L1730 PolarHBondContact O-N 3.15Å; L1726-M1889 HydrophobicContact CD2-CE 4.46Å; L1726-M1889 HydrophobicContact CD2-SD 4.16Å; L1726-M1889 HydrophobicContact CG-SD 4.19Å |
| 1727 | P | 83 | Confident | 78.4 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.8 | -39.2 | 178.2 | -23.4 | 34.6 | 0 | 0 | 0 | 113.4 | T1708 G1724 A1725 G1731 M1889 | T1708-P1727 WeakPolarHBondContact O-CG 3.49Å; G1724-P1727 VanDerWaalsContact O-CD 3.31Å; G1724-P1727 WeakPolarHBondContact O-CD 3.45Å; A1725-P1727 VanDerWaalsContact C-N 3.34Å; P1727-G1731 PolarHBondContact O-N 2.81Å; P1727-M1889 HydrophobicContact CB-SD 4.43Å; P1727-M1889 HydrophobicContact CG-CG 4.1Å; P1727-M1889 HydrophobicContact CG-SD 4.01Å |
| 1728 | M | 83.2 | Confident | 79.3 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72.9 | -38.9 | -180 | -64.4 | -176 | -73.7 | 0 | 0 | 112 | W1710 A1725 L1726 G1731 S1732 L1900 I1903 | W1710-M1728 HydrophobicContact CD2-CE 3.41Å; W1710-M1728 VanDerWaalsContact CD2-CE 3.41Å; W1710-M1728 HydrophobicContact CD2-SD 4.3Å; W1710-M1728 HydrophobicContact CE3-CE 3.33Å; W1710-M1728 HydrophobicContact CG-CE 4.03Å; W1710-M1728 HydrophobicContact CG-SD 4.5Å; W1710-M1728 HydrophobicContact CH2-CE 3.96Å; W1710-M1728 HydrophobicContact CZ2-CE 4.02Å; W1710-M1728 HydrophobicContact CZ3-CE 3.62Å; A1725-M1728 HydrophobicContact CB-CE 3.77Å; A1725-M1728 PolarHBondContact O-N 2.86Å; A1725-M1728 VanDerWaalsContact O-N 3.07Å; L1726-M1728 VanDerWaalsContact C-N 3.33Å; L1726-M1728 PolarHBondContact O-N 3.26Å; M1728-G1731 PolarHBondContact O-N 2.96Å; M1728-S1732 WeakPolarHBondContact O-CB 3.46Å; M1728-S1732 PolarHBondContact O-N 3.41Å; M1728-S1732 PolarHBondContact O-OG 3.05Å; M1728-L1900 HydrophobicContact CB-CB 4.25Å; M1728-L1900 HydrophobicContact CB-CD1 4.25Å; M1728-L1900 HydrophobicContact CE-CD1 4.22Å; M1728-L1900 PolarHBondContact O-N 3.16Å; M1728-L1900 HydrophobicContact SD-CD1 4.23Å; M1728-I1903 HydrophobicContact CG-CG1 4.11Å; M1728-I1903 HydrophobicContact SD-CB 3.63Å; M1728-I1903 HydrophobicContact SD-CG1 3.65Å; M1728-I1903 HydrophobicContact SD-CG2 3.62Å |
| 1729 | I | 81.4 | Confident | 80.5 | Confident | 49 Ų | 49 | 35.1 Ų | 35.1 | 25% | 0.251 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.7 | -48.3 | 177.1 | -64.2 | 167.5 | 0 | 0 | 0 | 109.6 | L1705 A1725 L1726 G1731 S1732 F1733 | L1705-I1729 HydrophobicContact CD2-CD1 4.01Å; A1725-I1729 HydrophobicContact CB-CD1 4.15Å; A1725-I1729 WeakPolarHBondContact O-CG1 3.33Å; A1725-I1729 PolarHBondContact O-N 3.07Å; A1725-I1729 VanDerWaalsContact O-N 3.09Å; L1726-I1729 PolarHBondContact O-N 3.25Å; I1729-G1731 PolarHBondContact O-N 2.92Å; I1729-S1732 PolarHBondContact O-N 3.07Å; I1729-F1733 HydrophobicContact CG2-CD2 4.42Å; I1729-F1733 WeakPolarHBondContact O-CB 3.43Å; I1729-F1733 PolarHBondContact O-N 2.99Å |
| 1730 | L | 82.1 | Confident | 81.3 | Confident | 50 Ų | 50 | 32.7 Ų | 32.7 | 26% | 0.262 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 173.6 | -82.4 | 171.3 | 0 | 0 | 0 | 111.7 | L1726 F1733 M1734 M1889 | L1726-L1730 HydrophobicContact CD1-CD1 4.08Å; L1726-L1730 HydrophobicContact CD1-CG 4.12Å; L1726-L1730 HydrophobicContact CD2-CD1 4.4Å; L1726-L1730 HydrophobicContact CG-CD1 3.89Å; L1726-L1730 HydrophobicContact CG-CG 4.36Å; L1726-L1730 WeakPolarHBondContact O-CB 3.41Å; L1726-L1730 PolarHBondContact O-N 3.15Å; L1730-F1733 PolarHBondContact O-N 3.35Å; L1730-M1734 HydrophobicContact CD2-CE 4.05Å; L1730-M1734 WeakPolarHBondContact O-CB 3.34Å; L1730-M1734 WeakPolarHBondContact O-CG 3.44Å; L1730-M1734 PolarHBondContact O-N 2.96Å; L1730-M1889 HydrophobicContact CD1-CE 3.64Å; L1730-M1889 HydrophobicContact CD1-SD 3.94Å |
| 1731 | G | 82.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.5 | -51 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1727 M1728 I1729 F1733 V1735 S1898 | P1727-G1731 PolarHBondContact O-N 2.81Å; M1728-G1731 PolarHBondContact O-N 2.96Å; I1729-G1731 PolarHBondContact O-N 2.92Å; G1731-F1733 PolarHBondContact O-N 3.3Å; G1731-V1735 WeakPolarHBondContact O-CB 3.33Å; G1731-V1735 WeakPolarHBondContact O-CG2 3.49Å; G1731-V1735 PolarHBondContact O-N 3.25Å; G1731-S1898 WeakPolarHBondContact CA-O 3.31Å |
| 1732 | S | 80.6 | Confident | 83.3 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.7 | -46.6 | 175.3 | -79.2 | 0 | 0 | 0 | 0 | 112.5 | M1728 I1729 T1736 T1899 L1900 | M1728-S1732 WeakPolarHBondContact O-CB 3.46Å; M1728-S1732 PolarHBondContact O-N 3.41Å; M1728-S1732 PolarHBondContact O-OG 3.05Å; I1729-S1732 PolarHBondContact O-N 3.07Å; S1732-T1736 VanDerWaalsContact O-CB 3.26Å; S1732-T1736 WeakPolarHBondContact O-CB 3.27Å; S1732-T1736 PolarHBondContact O-N 3.42Å; S1732-T1736 PolarHBondContact O-OG1 2.84Å; S1732-T1899 WeakPolarHBondContact OG-CB 3.19Å; S1732-L1900 PolarHBondContact OG-N 2.85Å |
| 1733 | F | 84.2 | Confident | 83.9 | Confident | 118 Ų | 118 | 31.4 Ų | 31.4 | 52% | 0.518 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -67.8 | -51.3 | 179.6 | -103.2 | -85.9 | 0 | 0 | 0 | 112.4 | I1729 L1730 G1731 V1735 T1736 F1737 F1873 | I1729-F1733 HydrophobicContact CG2-CD2 4.42Å; I1729-F1733 WeakPolarHBondContact O-CB 3.43Å; I1729-F1733 PolarHBondContact O-N 2.99Å; L1730-F1733 PolarHBondContact O-N 3.35Å; G1731-F1733 PolarHBondContact O-N 3.3Å; F1733-V1735 PolarHBondContact O-N 2.9Å; F1733-T1736 PolarHBondContact O-N 2.9Å; F1733-F1737 WeakPolarHBondContact O-CB 3.39Å; F1733-F1737 PolarHBondContact O-N 3.08Å; F1733-F1873 HydrophobicContact CD2-CE2 4.38Å; F1733-F1873 HydrophobicContact CE2-CE2 4.48Å |
| 1734 | M | 85.4 | Confident | 84.6 | Confident | 82 Ų | 82 | 32.3 Ų | 32.3 | 40% | 0.404 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.2 | -48.7 | -176.7 | -70.9 | -66.8 | 165.3 | 0 | 0 | 111.2 | L1730 L1738 I1804 | L1730-M1734 HydrophobicContact CD2-CE 4.05Å; L1730-M1734 WeakPolarHBondContact O-CB 3.34Å; L1730-M1734 WeakPolarHBondContact O-CG 3.44Å; L1730-M1734 PolarHBondContact O-N 2.96Å; M1734-L1738 WeakPolarHBondContact O-CB 3.34Å; M1734-L1738 WeakPolarHBondContact O-CD1 3.45Å; M1734-L1738 WeakPolarHBondContact O-CG 3.36Å; M1734-L1738 PolarHBondContact O-N 2.85Å; M1734-I1804 HydrophobicContact CB-CD1 4.19Å; M1734-I1804 HydrophobicContact CB-CG2 4.2Å |
| 1735 | V | 86.7 | Confident | 85 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -49.4 | -179.8 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | G1731 F1733 S1739 I1804 G1807 T1808 L1811 I1883 | G1731-V1735 WeakPolarHBondContact O-CB 3.33Å; G1731-V1735 WeakPolarHBondContact O-CG2 3.49Å; G1731-V1735 PolarHBondContact O-N 3.25Å; F1733-V1735 PolarHBondContact O-N 2.9Å; V1735-S1739 WeakPolarHBondContact O-CB 3.33Å; V1735-S1739 PolarHBondContact O-N 2.88Å; V1735-S1739 PolarHBondContact O-OG 2.68Å; V1735-I1804 HydrophobicContact CG2-CB 4.13Å; V1735-I1804 HydrophobicContact CG2-CG1 4.13Å; V1735-I1804 HydrophobicContact CG2-CG2 3.81Å; V1735-G1807 VanDerWaalsContact CG1-C 3.4Å; V1735-T1808 PolarHBondContact O-OG1 3.48Å; V1735-L1811 HydrophobicContact CG1-CD1 3.89Å; V1735-I1883 HydrophobicContact CG2-CD1 3.8Å |
| 1736 | T | 82.1 | Confident | 85.4 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.3 | -43 | -175.9 | -49.3 | 0 | 0 | 0 | 0 | 112.5 | S1732 F1733 S1739 A1740 M1869 A1872 F1873 | S1732-T1736 VanDerWaalsContact O-CB 3.26Å; S1732-T1736 WeakPolarHBondContact O-CB 3.27Å; S1732-T1736 PolarHBondContact O-N 3.42Å; S1732-T1736 PolarHBondContact O-OG1 2.84Å; F1733-T1736 PolarHBondContact O-N 2.9Å; T1736-S1739 WeakPolarHBondContact O-CB 3.31Å; T1736-S1739 PolarHBondContact O-N 2.95Å; T1736-A1740 WeakPolarHBondContact O-CB 3.47Å; T1736-A1740 PolarHBondContact O-N 3.2Å; T1736-M1869 HydrophobicContact CG2-CB 4.14Å; T1736-M1869 HydrophobicContact CG2-CE 4.45Å; T1736-M1869 HydrophobicContact CG2-CG 4.27Å; T1736-A1872 HydrophobicContact CG2-CB 4.01Å; T1736-F1873 HydrophobicContact CG2-CD2 4.19Å |
| 1737 | F | 86 | Confident | 85.7 | Confident | 107 Ų | 107 | 40.6 Ų | 40.6 | 47% | 0.469 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.6 | -43.3 | -178.9 | -175.8 | -118.2 | 0 | 0 | 0 | 112 | F1733 S1739 A1740 I1741 M1869 | F1733-F1737 WeakPolarHBondContact O-CB 3.39Å; F1733-F1737 PolarHBondContact O-N 3.08Å; F1737-S1739 VanDerWaalsContact C-N 3.31Å; F1737-S1739 PolarHBondContact O-N 2.85Å; F1737-A1740 PolarHBondContact O-N 2.94Å; F1737-I1741 HydrophobicContact CD1-CD1 3.78Å; F1737-I1741 HydrophobicContact CD2-CD1 4.49Å; F1737-I1741 HydrophobicContact CE1-CD1 3.49Å; F1737-I1741 VanDerWaalsContact CE1-CD1 3.49Å; F1737-I1741 HydrophobicContact CE2-CD1 4.24Å; F1737-I1741 HydrophobicContact CG-CD1 4.29Å; F1737-I1741 HydrophobicContact CZ-CD1 3.74Å; F1737-I1741 HydrophobicContact CZ-CG1 4.49Å; F1737-I1741 WeakPolarHBondContact O-CG1 3.45Å; F1737-I1741 PolarHBondContact O-N 3.26Å; F1737-M1869 HydrophobicContact CB-CE 4.46Å; F1737-M1869 HydrophobicContact CD2-CE 4.16Å |
| 1738 | L | 87.4 | Confident | 86.1 | Confident | 51 Ų | 51 | 42.5 Ų | 42.5 | 27% | 0.267 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.2 | -40.3 | 172.5 | -68.1 | 170.9 | 0 | 0 | 0 | 111 | M1734 A1740 I1741 V1742 I1804 T1808 L1893 | M1734-L1738 WeakPolarHBondContact O-CB 3.34Å; M1734-L1738 WeakPolarHBondContact O-CD1 3.45Å; M1734-L1738 WeakPolarHBondContact O-CG 3.36Å; M1734-L1738 PolarHBondContact O-N 2.85Å; L1738-A1740 VanDerWaalsContact C-N 3.34Å; L1738-A1740 PolarHBondContact O-N 3.06Å; L1738-I1741 PolarHBondContact O-N 2.74Å; L1738-V1742 WeakPolarHBondContact O-CG2 3.15Å; L1738-V1742 PolarHBondContact O-N 3.36Å; L1738-I1804 HydrophobicContact CD1-CG2 4.04Å; L1738-T1808 HydrophobicContact CB-CG2 3.8Å; L1738-L1893 HydrophobicContact CD1-CD2 3.99Å |
| 1739 | S | 87.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.1 | -41 | 176.3 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | V1735 T1736 F1737 V1742 A1743 T1808 L1811 | V1735-S1739 WeakPolarHBondContact O-CB 3.33Å; V1735-S1739 PolarHBondContact O-N 2.88Å; V1735-S1739 PolarHBondContact O-OG 2.68Å; T1736-S1739 WeakPolarHBondContact O-CB 3.31Å; T1736-S1739 PolarHBondContact O-N 2.95Å; F1737-S1739 VanDerWaalsContact C-N 3.31Å; F1737-S1739 PolarHBondContact O-N 2.85Å; S1739-V1742 PolarHBondContact O-N 3.44Å; S1739-A1743 WeakPolarHBondContact O-CB 3.46Å; S1739-A1743 PolarHBondContact O-N 2.91Å; S1739-T1808 WeakPolarHBondContact OG-CA 3.49Å; S1739-T1808 PolarHBondContact OG-O 2.65Å; S1739-L1811 VanDerWaalsContact OG-CB 3.25Å; S1739-L1811 WeakPolarHBondContact OG-CB 2.96Å |
| 1740 | A | 84.2 | Confident | 86.6 | Confident | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.2 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1736 F1737 L1738 V1742 A1743 T1744 I1815 V1865 M1869 | T1736-A1740 WeakPolarHBondContact O-CB 3.47Å; T1736-A1740 PolarHBondContact O-N 3.2Å; F1737-A1740 PolarHBondContact O-N 2.94Å; L1738-A1740 VanDerWaalsContact C-N 3.34Å; L1738-A1740 PolarHBondContact O-N 3.06Å; A1740-V1742 VanDerWaalsContact C-N 3.32Å; A1740-V1742 PolarHBondContact O-N 3.23Å; A1740-A1743 PolarHBondContact O-N 3.38Å; A1740-T1744 VanDerWaalsContact O-CB 3.26Å; A1740-T1744 WeakPolarHBondContact O-CB 3.43Å; A1740-T1744 PolarHBondContact O-N 3.37Å; A1740-T1744 PolarHBondContact O-OG1 3.05Å; A1740-I1815 HydrophobicContact CB-CD1 4.37Å; A1740-V1865 HydrophobicContact CB-CG1 4.32Å; A1740-M1869 HydrophobicContact CB-CG 3.45Å; A1740-M1869 VanDerWaalsContact CB-CG 3.45Å; A1740-M1869 HydrophobicContact CB-SD 3.83Å |
| 1741 | I | 87.8 | Confident | 87 | Confident | 88 Ų | 88 | 40.6 Ų | 40.6 | 45% | 0.451 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 173.4 | -73.9 | 169 | 0 | 0 | 0 | 111.2 | F1737 L1738 P1745 | F1737-I1741 HydrophobicContact CD1-CD1 3.78Å; F1737-I1741 HydrophobicContact CD2-CD1 4.49Å; F1737-I1741 HydrophobicContact CE1-CD1 3.49Å; F1737-I1741 VanDerWaalsContact CE1-CD1 3.49Å; F1737-I1741 HydrophobicContact CE2-CD1 4.24Å; F1737-I1741 HydrophobicContact CG-CD1 4.29Å; F1737-I1741 HydrophobicContact CZ-CD1 3.74Å; F1737-I1741 HydrophobicContact CZ-CG1 4.49Å; F1737-I1741 WeakPolarHBondContact O-CG1 3.45Å; F1737-I1741 PolarHBondContact O-N 3.26Å; L1738-I1741 PolarHBondContact O-N 2.74Å; I1741-P1745 WeakPolarHBondContact O-CD 3.42Å |
| 1742 | V | 87.4 | Confident | 87.4 | Confident | 57 Ų | 57 | 41 Ų | 41 | 35% | 0.345 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -75.2 | -38.4 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | L1738 S1739 A1740 F1746 F1812 | L1738-V1742 WeakPolarHBondContact O-CG2 3.15Å; L1738-V1742 PolarHBondContact O-N 3.36Å; S1739-V1742 PolarHBondContact O-N 3.44Å; A1740-V1742 VanDerWaalsContact C-N 3.32Å; A1740-V1742 PolarHBondContact O-N 3.23Å; V1742-F1746 VanDerWaalsContact O-CD2 3.25Å; V1742-F1746 WeakPolarHBondContact O-CD2 3.32Å; V1742-F1812 HydrophobicContact CB-CD2 4.15Å; V1742-F1812 HydrophobicContact CG1-CD2 3.59Å; V1742-F1812 HydrophobicContact CG1-CE2 3.92Å; V1742-F1812 HydrophobicContact CG1-CG 4.03Å |
| 1743 | A | 87.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.6 | -39.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1739 A1740 F1746 A1747 F1812 I1815 L1816 | S1739-A1743 WeakPolarHBondContact O-CB 3.46Å; S1739-A1743 PolarHBondContact O-N 2.91Å; A1740-A1743 PolarHBondContact O-N 3.38Å; A1743-F1746 PolarHBondContact O-N 3.18Å; A1743-A1747 WeakPolarHBondContact O-CB 3.49Å; A1743-A1747 PolarHBondContact O-N 3.15Å; A1743-F1812 HydrophobicContact CB-CD2 3.91Å; A1743-F1812 HydrophobicContact CB-CE2 4.45Å; A1743-I1815 HydrophobicContact CB-CB 3.98Å; A1743-I1815 HydrophobicContact CB-CG2 3.6Å; A1743-L1816 HydrophobicContact CB-CB 4.49Å |
| 1744 | T | 89.8 | Confident | 87.6 | Confident | 26 Ų | 26 | 39.2 Ų | 39.2 | 16% | 0.16 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.5 | -45.4 | -170 | -59.2 | 0 | 0 | 0 | 0 | 113.8 | A1740 F1746 A1747 I1748 V1865 | A1740-T1744 VanDerWaalsContact O-CB 3.26Å; A1740-T1744 WeakPolarHBondContact O-CB 3.43Å; A1740-T1744 PolarHBondContact O-N 3.37Å; A1740-T1744 PolarHBondContact O-OG1 3.05Å; T1744-F1746 VanDerWaalsContact C-N 3.35Å; T1744-F1746 PolarHBondContact O-N 3.37Å; T1744-A1747 PolarHBondContact O-N 2.65Å; T1744-I1748 HydrophobicContact CG2-CD1 3.65Å; T1744-I1748 HydrophobicContact CG2-CG1 4.28Å; T1744-I1748 VanDerWaalsContact O-CG1 3.31Å; T1744-I1748 WeakPolarHBondContact O-CG1 3.47Å; T1744-I1748 PolarHBondContact O-N 3.21Å; T1744-V1865 HydrophobicContact CG2-CG2 3.58Å; T1744-V1865 VanDerWaalsContact OG1-CG2 3.32Å; T1744-V1865 WeakPolarHBondContact OG1-CG2 3.41Å |
| 1745 | P | 91.2 | Very high | 87.6 | Confident | 84 Ų | 84 | 36.2 Ų | 36.2 | 55% | 0.545 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.6 | -38.3 | 177 | -23.9 | 35.1 | 0 | 0 | 0 | 113.2 | I1741 G1749 | I1741-P1745 WeakPolarHBondContact O-CD 3.42Å; P1745-G1749 PolarHBondContact O-N 3.25Å |
| 1746 | F | 89.3 | Confident | 87.5 | Confident | 131 Ų | 131 | 38.5 Ų | 38.5 | 58% | 0.575 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -69.6 | -40.6 | 176.5 | -74.4 | -101.9 | 0 | 0 | 0 | 111.2 | V1742 A1743 T1744 G1749 A1750 F1812 L1816 | V1742-F1746 VanDerWaalsContact O-CD2 3.25Å; V1742-F1746 WeakPolarHBondContact O-CD2 3.32Å; A1743-F1746 PolarHBondContact O-N 3.18Å; T1744-F1746 VanDerWaalsContact C-N 3.35Å; T1744-F1746 PolarHBondContact O-N 3.37Å; F1746-G1749 PolarHBondContact O-N 2.89Å; F1746-A1750 WeakPolarHBondContact O-CB 3.4Å; F1746-A1750 PolarHBondContact O-N 3.48Å; F1746-F1812 HydrophobicContact CD2-CE2 4.26Å; F1746-F1812 HydrophobicContact CG-CE2 4.38Å; F1746-L1816 HydrophobicContact CB-CD1 3.68Å |
| 1747 | A | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.1 | -46.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1743 T1744 A1751 L1816 V1819 T1820 | A1743-A1747 WeakPolarHBondContact O-CB 3.49Å; A1743-A1747 PolarHBondContact O-N 3.15Å; T1744-A1747 PolarHBondContact O-N 2.65Å; A1747-A1751 WeakPolarHBondContact O-CB 3.15Å; A1747-A1751 PolarHBondContact O-N 3.22Å; A1747-L1816 HydrophobicContact CB-CD1 4.08Å; A1747-V1819 HydrophobicContact CB-CB 3.73Å; A1747-V1819 HydrophobicContact CB-CG1 3.59Å; A1747-T1820 VanDerWaalsContact CA-OG1 3.29Å; A1747-T1820 WeakPolarHBondContact CA-OG1 3.22Å; A1747-T1820 WeakPolarHBondContact CB-OG1 3.45Å |
| 1748 | I | 91.2 | Very high | 87.3 | Confident | 40 Ų | 40 | 39.3 Ų | 39.3 | 21% | 0.205 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 175.1 | -65.3 | 168.8 | 0 | 0 | 0 | 110.4 | T1744 A1751 V1752 T1823 L1854 I1861 | T1744-I1748 HydrophobicContact CG2-CD1 3.65Å; T1744-I1748 HydrophobicContact CG2-CG1 4.28Å; T1744-I1748 VanDerWaalsContact O-CG1 3.31Å; T1744-I1748 WeakPolarHBondContact O-CG1 3.47Å; T1744-I1748 PolarHBondContact O-N 3.21Å; I1748-A1751 PolarHBondContact O-N 3.39Å; I1748-V1752 HydrophobicContact CG2-CG2 4.19Å; I1748-V1752 WeakPolarHBondContact O-CB 3.35Å; I1748-V1752 VanDerWaalsContact O-CG2 3.27Å; I1748-V1752 WeakPolarHBondContact O-CG2 3.45Å; I1748-V1752 PolarHBondContact O-N 2.7Å; I1748-T1823 HydrophobicContact CG1-CG2 4.33Å; I1748-L1854 HydrophobicContact CG2-CD2 3.69Å; I1748-I1861 HydrophobicContact CD1-CG2 3.77Å; I1748-I1861 HydrophobicContact CG1-CG2 4.07Å |
| 1749 | G | 89.4 | Confident | 86.7 | Confident | 40 Ų | 40 | 39.8 Ų | 39.8 | 41% | 0.412 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61 | -48.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | P1745 F1746 F1753 | P1745-G1749 PolarHBondContact O-N 3.25Å; F1746-G1749 PolarHBondContact O-N 2.89Å; G1749-F1753 WeakPolarHBondContact O-CB 3.48Å; G1749-F1753 PolarHBondContact O-N 3.23Å |
| 1750 | A | 85.7 | Confident | 85.8 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1746 F1753 M1754 L1766 T1820 | F1746-A1750 WeakPolarHBondContact O-CB 3.4Å; F1746-A1750 PolarHBondContact O-N 3.48Å; A1750-F1753 PolarHBondContact O-N 3.13Å; A1750-M1754 HydrophobicContact CB-CE 4.46Å; A1750-M1754 WeakPolarHBondContact O-CB 3.4Å; A1750-M1754 WeakPolarHBondContact O-CG 3.47Å; A1750-M1754 PolarHBondContact O-N 3.16Å; A1750-L1766 HydrophobicContact CB-CD1 4.4Å; A1750-T1820 HydrophobicContact CB-CG2 3.85Å |
| 1751 | A | 90 | Very high | 85.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -48.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1747 I1748 F1753 M1754 T1755 T1820 T1823 V1824 L1827 | A1747-A1751 WeakPolarHBondContact O-CB 3.15Å; A1747-A1751 PolarHBondContact O-N 3.22Å; I1748-A1751 PolarHBondContact O-N 3.39Å; A1751-F1753 VanDerWaalsContact C-N 3.25Å; A1751-F1753 PolarHBondContact O-N 3.32Å; A1751-M1754 CarbonylContact O-C 3.59Å; A1751-M1754 WeakPolarHBondContact O-CA 3.38Å; A1751-M1754 PolarHBondContact O-N 3.02Å; A1751-T1755 PolarHBondContact O-N 2.73Å; A1751-T1755 PolarHBondContact O-OG1 3.28Å; A1751-T1755 VanDerWaalsContact O-OG1 3.12Å; A1751-T1820 HydrophobicContact CB-CG2 4.34Å; A1751-T1823 HydrophobicContact CB-CG2 3.5Å; A1751-T1823 VanDerWaalsContact CB-CG2 3.5Å; A1751-V1824 HydrophobicContact CB-CG2 3.62Å; A1751-L1827 HydrophobicContact CB-CD1 3.9Å |
| 1752 | V | 89.8 | Confident | 84.3 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -35 | 174.5 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | I1748 T1755 E1756 I1757 L1827 I1849 L1854 | I1748-V1752 HydrophobicContact CG2-CG2 4.19Å; I1748-V1752 WeakPolarHBondContact O-CB 3.35Å; I1748-V1752 VanDerWaalsContact O-CG2 3.27Å; I1748-V1752 WeakPolarHBondContact O-CG2 3.45Å; I1748-V1752 PolarHBondContact O-N 2.7Å; V1752-T1755 PolarHBondContact O-N 2.81Å; V1752-E1756 HydrophobicContact CG1-CB 4.39Å; V1752-E1756 PolarHBondContact O-N 2.91Å; V1752-I1757 HydrophobicContact CG1-CD1 4.23Å; V1752-I1757 HydrophobicContact CG1-CG1 4.28Å; V1752-I1757 PolarHBondContact O-N 3.48Å; V1752-I1757 VanDerWaalsContact O-N 3.13Å; V1752-L1827 HydrophobicContact CG2-CD1 3.8Å; V1752-I1849 HydrophobicContact CG1-CG2 3.84Å; V1752-L1854 HydrophobicContact CG2-CD1 4.22Å; V1752-L1854 HydrophobicContact CG2-CD2 3.89Å; V1752-L1854 HydrophobicContact CG2-CG 4.23Å |
| 1753 | F | 88.3 | Confident | 83.3 | Confident | 82 Ų | 82 | 48.9 Ų | 48.9 | 36% | 0.36 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -64.8 | -42 | 172.3 | -167.2 | -90.8 | 0 | 0 | 0 | 111.9 | G1749 A1750 A1751 I1757 S1758 L1766 | G1749-F1753 WeakPolarHBondContact O-CB 3.48Å; G1749-F1753 PolarHBondContact O-N 3.23Å; A1750-F1753 PolarHBondContact O-N 3.13Å; A1751-F1753 VanDerWaalsContact C-N 3.25Å; A1751-F1753 PolarHBondContact O-N 3.32Å; F1753-I1757 HydrophobicContact CB-CD1 4.49Å; F1753-I1757 HydrophobicContact CD2-CB 3.93Å; F1753-I1757 HydrophobicContact CD2-CD1 4.05Å; F1753-I1757 HydrophobicContact CD2-CG2 3.92Å; F1753-I1757 HydrophobicContact CE2-CB 4.43Å; F1753-I1757 HydrophobicContact CE2-CG2 3.98Å; F1753-I1757 HydrophobicContact CG-CB 4.44Å; F1753-S1758 CarbonylContact O-C 3.58Å; F1753-S1758 WeakPolarHBondContact O-CA 3.41Å; F1753-S1758 PolarHBondContact O-N 3.08Å; F1753-L1766 HydrophobicContact CB-CD1 4.35Å; F1753-L1766 HydrophobicContact CD1-CD1 3.67Å; F1753-L1766 HydrophobicContact CE1-CD1 4.42Å; F1753-L1766 HydrophobicContact CG-CD1 4.35Å |
| 1754 | M | 82.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -76.4 | -11.4 | 176.9 | -74.2 | -168.8 | -73.3 | 0 | 0 | 115.5 | A1750 A1751 P1759 Q1763 L1766 Q1767 I1770 T1820 V1824 | A1750-M1754 HydrophobicContact CB-CE 4.46Å; A1750-M1754 WeakPolarHBondContact O-CB 3.4Å; A1750-M1754 WeakPolarHBondContact O-CG 3.47Å; A1750-M1754 PolarHBondContact O-N 3.16Å; A1751-M1754 CarbonylContact O-C 3.59Å; A1751-M1754 WeakPolarHBondContact O-CA 3.38Å; A1751-M1754 PolarHBondContact O-N 3.02Å; M1754-P1759 WeakPolarHBondContact O-CA 3.41Å; M1754-Q1763 HydrophobicContact CB-CG 3.77Å; M1754-Q1763 HydrophobicContact CG-CG 4.03Å; M1754-Q1763 WeakPolarHBondContact O-CG 3.33Å; M1754-Q1763 PolarHBondContact O-NE2 3.11Å; M1754-Q1763 HydrophobicContact SD-CG 4.25Å; M1754-L1766 HydrophobicContact CE-CB 4.26Å; M1754-L1766 HydrophobicContact CG-CB 3.91Å; M1754-L1766 HydrophobicContact CG-CD1 3.85Å; M1754-L1766 HydrophobicContact SD-CB 3.57Å; M1754-L1766 VanDerWaalsContact SD-CB 3.57Å; M1754-L1766 HydrophobicContact SD-CD1 4.5Å; M1754-Q1767 HydrophobicContact SD-CB 4.36Å; M1754-I1770 HydrophobicContact CE-CD1 3.25Å; M1754-I1770 HydrophobicContact SD-CD1 4.04Å; M1754-T1820 HydrophobicContact CE-CG2 3.57Å; M1754-V1824 HydrophobicContact CB-CG2 4.22Å; M1754-V1824 HydrophobicContact CE-CG2 3.53Å; M1754-V1824 HydrophobicContact SD-CG2 4.47Å |
| 1755 | T | 84 | Confident | 81.3 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -118 | -32.1 | 179.2 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | A1751 V1752 V1824 L1827 K1828 | A1751-T1755 PolarHBondContact O-N 2.73Å; A1751-T1755 PolarHBondContact O-OG1 3.28Å; A1751-T1755 VanDerWaalsContact O-OG1 3.12Å; V1752-T1755 PolarHBondContact O-N 2.81Å; T1755-V1824 HydrophobicContact CG2-CB 4.47Å; T1755-V1824 HydrophobicContact CG2-CG1 4.03Å; T1755-L1827 HydrophobicContact CG2-CB 4.03Å; T1755-K1828 HydrophobicContact CG2-CG 4.25Å |
| 1756 | E | 85.1 | Confident | 80.6 | Confident | 48 Ų | 48 | 61.6 Ų | 61.6 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -124.4 | -32 | -170.5 | -56.9 | -71.3 | 151.3 | 0 | 0 | 114.1 | V1752 R1835 I1849 | V1752-E1756 HydrophobicContact CG1-CB 4.39Å; V1752-E1756 PolarHBondContact O-N 2.91Å; E1756-R1835 IonicContact OE1-CZ 2.79Å; E1756-R1835 IonicContact OE1-NE 2.83Å; E1756-R1835 PolarHBondContact OE1-NE 3.04Å; E1756-R1835 IonicContact OE1-NH2 3.68Å; E1756-R1835 PolarHBondContact OE1-NH2 2.97Å; E1756-R1835 IonicContact OE2-NE 2.75Å; E1756-R1835 PolarHBondContact OE2-NE 3.05Å; E1756-I1849 HydrophobicContact CB-CD1 3.66Å; E1756-I1849 HydrophobicContact CB-CG1 3.83Å; E1756-I1849 HydrophobicContact CG-CD1 4.37Å; E1756-I1849 HydrophobicContact CG-CG1 3.97Å |
| 1757 | I | 82.9 | Confident | 79.9 | Confident | 96 Ų | 96 | 57.6 Ų | 57.6 | 49% | 0.492 | 29% | 0.292 | S | S | . | . | I | π-helix | trans | -89.6 | -46.5 | -178.5 | -52.1 | 174.6 | 0 | 0 | 0 | 111.6 | V1752 F1753 | V1752-I1757 HydrophobicContact CG1-CD1 4.23Å; V1752-I1757 HydrophobicContact CG1-CG1 4.28Å; V1752-I1757 PolarHBondContact O-N 3.48Å; V1752-I1757 VanDerWaalsContact O-N 3.13Å; F1753-I1757 HydrophobicContact CB-CD1 4.49Å; F1753-I1757 HydrophobicContact CD2-CB 3.93Å; F1753-I1757 HydrophobicContact CD2-CD1 4.05Å; F1753-I1757 HydrophobicContact CD2-CG2 3.92Å; F1753-I1757 HydrophobicContact CE2-CB 4.43Å; F1753-I1757 HydrophobicContact CE2-CG2 3.98Å; F1753-I1757 HydrophobicContact CG-CB 4.44Å |
| 1758 | S | 81.2 | Confident | 78.3 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | trans | -146.8 | 65.6 | -176.8 | -155.7 | 0 | 0 | 0 | 0 | 111.4 | F1753 T1760 G1762 | F1753-S1758 CarbonylContact O-C 3.58Å; F1753-S1758 WeakPolarHBondContact O-CA 3.41Å; F1753-S1758 PolarHBondContact O-N 3.08Å; S1758-T1760 VanDerWaalsContact C-N 3.29Å; S1758-T1760 PolarHBondContact O-N 2.83Å; S1758-T1760 VanDerWaalsContact O-N 3.17Å; S1758-G1762 WeakPolarHBondContact O-CA 3.22Å; S1758-G1762 PolarHBondContact O-N 2.89Å | ||
| 1759 | P | 75.1 | Confident | 77.5 | Confident | 60 Ų | 60 | 60.3 Ų | 60.3 | 39% | 0.39 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.3 | -31.7 | -170 | 20.5 | -32.2 | 0 | 0 | 0 | 114.8 | M1754 Q1763 | M1754-P1759 WeakPolarHBondContact O-CA 3.41Å; P1759-Q1763 VanDerWaalsContact O-CB 3.29Å; P1759-Q1763 WeakPolarHBondContact O-CB 3.38Å; P1759-Q1763 VanDerWaalsContact O-CD 3.27Å; P1759-Q1763 WeakPolarHBondContact O-CG 3.41Å |
| 1760 | T | 68.2 | Low | 76.8 | Confident | 108 Ų | 108 | 58.9 Ų | 58.9 | 66% | 0.663 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -88.8 | -58.2 | 177.6 | 44.8 | 0 | 0 | 0 | 0 | 113.3 | S1758 R1764 | S1758-T1760 VanDerWaalsContact C-N 3.29Å; S1758-T1760 PolarHBondContact O-N 2.83Å; S1758-T1760 VanDerWaalsContact O-N 3.17Å; T1760-R1764 WeakPolarHBondContact O-CB 3.45Å; T1760-R1764 WeakPolarHBondContact O-CG 3.1Å; T1760-R1764 PolarHBondContact O-N 3.26Å |
| 1761 | K | 69.6 | Low | 76 | Confident | 167 Ų | 167 | 63 Ų | 63 | 73% | 0.726 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68.4 | -37.4 | -179.4 | -67.4 | -173.6 | 178.1 | -176.4 | 0 | 112.1 | F1765 | K1761-F1765 PolarHBondContact O-N 2.94Å |
| 1762 | G | 70.3 | Confident | 74.7 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1758 F1765 L1766 | S1758-G1762 WeakPolarHBondContact O-CA 3.22Å; S1758-G1762 PolarHBondContact O-N 2.89Å; G1762-F1765 PolarHBondContact O-N 2.99Å; G1762-L1766 WeakPolarHBondContact O-CB 3.46Å; G1762-L1766 PolarHBondContact O-N 2.68Å |
| 1763 | Q | 67.2 | Low | 73.7 | Confident | 63 Ų | 63 | 68.4 Ų | 68.4 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 173 | -74 | 178.4 | 25.2 | 0 | 0 | 111.3 | M1754 P1759 F1765 Q1767 | M1754-Q1763 HydrophobicContact CB-CG 3.77Å; M1754-Q1763 HydrophobicContact CG-CG 4.03Å; M1754-Q1763 WeakPolarHBondContact O-CG 3.33Å; M1754-Q1763 PolarHBondContact O-NE2 3.11Å; M1754-Q1763 HydrophobicContact SD-CG 4.25Å; P1759-Q1763 VanDerWaalsContact O-CB 3.29Å; P1759-Q1763 WeakPolarHBondContact O-CB 3.38Å; P1759-Q1763 VanDerWaalsContact O-CD 3.27Å; P1759-Q1763 WeakPolarHBondContact O-CG 3.41Å; Q1763-F1765 PolarHBondContact O-N 3.29Å; Q1763-Q1767 WeakPolarHBondContact O-CB 3.45Å; Q1763-Q1767 PolarHBondContact O-N 3.03Å |
| 1764 | R | 63.7 | Low | 72.7 | Confident | 193 Ų | 193 | 67.5 Ų | 67.5 | 73% | 0.728 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -55.8 | -23.1 | 176.5 | -84.7 | -174.7 | 169.2 | -178.1 | -2 | 114.5 | W519 T1760 | W519-R1764 WeakPolarHBondContact CZ2-O 3.4Å; T1760-R1764 WeakPolarHBondContact O-CB 3.45Å; T1760-R1764 WeakPolarHBondContact O-CG 3.1Å; T1760-R1764 PolarHBondContact O-N 3.26Å |
| 1765 | F | 72.5 | Confident | 71.6 | Confident | 145 Ų | 145 | 68.7 Ų | 68.7 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -103 | -46.2 | 179.9 | -174.5 | -103.1 | 0 | 0 | 0 | 113.5 | K1761 G1762 Q1763 V1769 | K1761-F1765 PolarHBondContact O-N 2.94Å; G1762-F1765 PolarHBondContact O-N 2.99Å; Q1763-F1765 PolarHBondContact O-N 3.29Å; F1765-V1769 WeakPolarHBondContact O-CG2 3.48Å |
| 1766 | L | 75.4 | Confident | 70.8 | Confident | 39 Ų | 39 | 69.7 Ų | 69.7 | 20% | 0.204 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -84.9 | -36 | -174.2 | -72.2 | 167.7 | 0 | 0 | 0 | 113.3 | A1750 F1753 M1754 G1762 V1769 I1770 | A1750-L1766 HydrophobicContact CB-CD1 4.4Å; F1753-L1766 HydrophobicContact CB-CD1 4.35Å; F1753-L1766 HydrophobicContact CD1-CD1 3.67Å; F1753-L1766 HydrophobicContact CE1-CD1 4.42Å; F1753-L1766 HydrophobicContact CG-CD1 4.35Å; M1754-L1766 HydrophobicContact CE-CB 4.26Å; M1754-L1766 HydrophobicContact CG-CB 3.91Å; M1754-L1766 HydrophobicContact CG-CD1 3.85Å; M1754-L1766 HydrophobicContact SD-CB 3.57Å; M1754-L1766 VanDerWaalsContact SD-CB 3.57Å; M1754-L1766 HydrophobicContact SD-CD1 4.5Å; G1762-L1766 WeakPolarHBondContact O-CB 3.46Å; G1762-L1766 PolarHBondContact O-N 2.68Å; L1766-V1769 PolarHBondContact O-N 3.13Å; L1766-V1769 VanDerWaalsContact O-N 3.16Å; L1766-I1770 HydrophobicContact CB-CD1 4.25Å; L1766-I1770 WeakPolarHBondContact O-CB 3.49Å; L1766-I1770 WeakPolarHBondContact O-CD1 3.31Å; L1766-I1770 VanDerWaalsContact O-CG1 3.29Å; L1766-I1770 WeakPolarHBondContact O-CG1 3.48Å; L1766-I1770 PolarHBondContact O-N 3.34Å |
| 1767 | Q | 74.9 | Confident | 69.5 | Low | 48 Ų | 48 | 69 Ų | 69 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.7 | -45.9 | -177.6 | -174.3 | 73 | 26.7 | 0 | 0 | 111.7 | M1754 Q1763 V1769 I1770 E1771 | M1754-Q1767 HydrophobicContact SD-CB 4.36Å; Q1763-Q1767 WeakPolarHBondContact O-CB 3.45Å; Q1763-Q1767 PolarHBondContact O-N 3.03Å; Q1767-V1769 PolarHBondContact O-N 3.12Å; Q1767-I1770 PolarHBondContact O-N 2.66Å; Q1767-E1771 WeakPolarHBondContact CG-OE1 3.4Å; Q1767-E1771 PolarHBondContact NE2-OE1 3.16Å; Q1767-E1771 WeakPolarHBondContact O-CG 3.17Å; Q1767-E1771 PolarHBondContact O-N 2.87Å |
| 1768 | P | 57.9 | Low | 68.8 | Low | 25 Ų | 25 | 65.8 Ų | 65.8 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.2 | -32.2 | 176.6 | -21 | 35.1 | 0 | 0 | 0 | 113.5 | W519 L1772 | W519-P1768 HydrophobicContact CD2-CG 4.14Å; W519-P1768 HydrophobicContact CE3-CB 3.77Å; W519-P1768 HydrophobicContact CE3-CG 3.75Å; W519-P1768 HydrophobicContact CH2-CB 4.04Å; W519-P1768 HydrophobicContact CH2-CG 3.73Å; W519-P1768 HydrophobicContact CZ2-CG 4.1Å; W519-P1768 HydrophobicContact CZ3-CB 3.43Å; W519-P1768 VanDerWaalsContact CZ3-CB 3.43Å; W519-P1768 HydrophobicContact CZ3-CG 3.53Å; P1768-L1772 WeakPolarHBondContact O-CB 3.39Å; P1768-L1772 PolarHBondContact O-N 2.85Å |
| 1769 | V | 74.1 | Confident | 68.2 | Low | 72 Ų | 72 | 66.3 Ų | 66.3 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 175.3 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | F1765 L1766 Q1767 L1772 L1773 | F1765-V1769 WeakPolarHBondContact O-CG2 3.48Å; L1766-V1769 PolarHBondContact O-N 3.13Å; L1766-V1769 VanDerWaalsContact O-N 3.16Å; Q1767-V1769 PolarHBondContact O-N 3.12Å; V1769-L1772 PolarHBondContact O-N 3.35Å; V1769-L1773 WeakPolarHBondContact O-CG 3.36Å; V1769-L1773 PolarHBondContact O-N 3.03Å |
| 1770 | I | 75.5 | Confident | 67.7 | Low | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.051 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 176.5 | -72.9 | 160.3 | 0 | 0 | 0 | 110.8 | M1754 L1766 Q1767 L1772 L1773 V1774 P1817 T1820 T1821 | M1754-I1770 HydrophobicContact CE-CD1 3.25Å; M1754-I1770 HydrophobicContact SD-CD1 4.04Å; L1766-I1770 HydrophobicContact CB-CD1 4.25Å; L1766-I1770 WeakPolarHBondContact O-CB 3.49Å; L1766-I1770 WeakPolarHBondContact O-CD1 3.31Å; L1766-I1770 VanDerWaalsContact O-CG1 3.29Å; L1766-I1770 WeakPolarHBondContact O-CG1 3.48Å; L1766-I1770 PolarHBondContact O-N 3.34Å; Q1767-I1770 PolarHBondContact O-N 2.66Å; I1770-L1772 PolarHBondContact O-N 3.03Å; I1770-L1773 WeakPolarHBondContact O-CB 3.27Å; I1770-L1773 PolarHBondContact O-N 3.19Å; I1770-V1774 WeakPolarHBondContact O-CG2 3.26Å; I1770-V1774 PolarHBondContact O-N 3.41Å; I1770-P1817 HydrophobicContact CG2-CB 3.75Å; I1770-P1817 WeakPolarHBondContact O-CB 3.48Å; I1770-T1820 HydrophobicContact CD1-CG2 3.51Å; I1770-T1820 HydrophobicContact CG1-CG2 4.43Å; I1770-T1821 HydrophobicContact CG2-CG2 3.7Å |
| 1771 | E | 68.1 | Low | 68.1 | Low | 108 Ų | 108 | 59.9 Ų | 59.9 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 177.5 | -72.9 | 167.5 | -177.1 | 0 | 0 | 112 | Q1767 L1773 V1774 G1775 | Q1767-E1771 WeakPolarHBondContact CG-OE1 3.4Å; Q1767-E1771 PolarHBondContact NE2-OE1 3.16Å; Q1767-E1771 WeakPolarHBondContact O-CG 3.17Å; Q1767-E1771 PolarHBondContact O-N 2.87Å; E1771-L1773 PolarHBondContact O-N 3.09Å; E1771-V1774 WeakPolarHBondContact O-CB 3.45Å; E1771-V1774 PolarHBondContact O-N 2.92Å; E1771-V1774 VanDerWaalsContact O-N 3.15Å; E1771-G1775 PolarHBondContact O-N 3.01Å; E1771-G1775 VanDerWaalsContact O-N 3.15Å |
| 1772 | L | 62.3 | Low | 68.3 | Low | 88 Ų | 88 | 52 Ų | 52 | 46% | 0.461 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 175.2 | -167.2 | 149.7 | 0 | 0 | 0 | 111.6 | P1768 V1769 I1770 G1775 I1776 | P1768-L1772 WeakPolarHBondContact O-CB 3.39Å; P1768-L1772 PolarHBondContact O-N 2.85Å; V1769-L1772 PolarHBondContact O-N 3.35Å; I1770-L1772 PolarHBondContact O-N 3.03Å; L1772-G1775 PolarHBondContact O-N 2.91Å; L1772-I1776 PolarHBondContact O-N 3.36Å |
| 1773 | L | 70.2 | Confident | 68.3 | Low | 34 Ų | 34 | 53.8 Ų | 53.8 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -36.1 | 170.8 | -70.9 | 176.9 | 0 | 0 | 0 | 112.9 | V1769 I1770 E1771 G1775 I1776 Y1781 V1813 P1817 | V1769-L1773 WeakPolarHBondContact O-CG 3.36Å; V1769-L1773 PolarHBondContact O-N 3.03Å; I1770-L1773 WeakPolarHBondContact O-CB 3.27Å; I1770-L1773 PolarHBondContact O-N 3.19Å; E1771-L1773 PolarHBondContact O-N 3.09Å; L1773-G1775 PolarHBondContact O-N 3.11Å; L1773-I1776 HydrophobicContact CD2-CD1 3.91Å; L1773-I1776 PolarHBondContact O-N 3.11Å; L1773-Y1781 PolarHBondContact O-OH 2.75Å; L1773-V1813 HydrophobicContact CD1-CG1 4.38Å; L1773-V1813 HydrophobicContact CD2-CG1 3.83Å; L1773-P1817 HydrophobicContact CB-CB 4.26Å; L1773-P1817 HydrophobicContact CB-CG 4.03Å |
| 1774 | V | 66.3 | Low | 68.6 | Low | 62 Ų | 62 | 54.5 Ų | 54.5 | 38% | 0.376 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.4 | -32.7 | 173.5 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | I1770 E1771 P1817 | I1770-V1774 WeakPolarHBondContact O-CG2 3.26Å; I1770-V1774 PolarHBondContact O-N 3.41Å; E1771-V1774 WeakPolarHBondContact O-CB 3.45Å; E1771-V1774 PolarHBondContact O-N 2.92Å; E1771-V1774 VanDerWaalsContact O-N 3.15Å; V1774-P1817 HydrophobicContact CG2-CB 3.66Å; V1774-P1817 HydrophobicContact CG2-CG 4.03Å |
| 1775 | G | 59.4 | Low | 69.4 | Low | 25 Ų | 25 | 45.3 Ų | 45.3 | 26% | 0.258 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -76.7 | -16.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | I530 E1771 L1772 L1773 P1777 | I530-G1775 VanDerWaalsContact CD1-O 3.28Å; I530-G1775 WeakPolarHBondContact CD1-O 3.4Å; I530-G1775 WeakPolarHBondContact CG1-O 3.49Å; I530-G1775 WeakPolarHBondContact CG2-O 3.48Å; E1771-G1775 PolarHBondContact O-N 3.01Å; E1771-G1775 VanDerWaalsContact O-N 3.15Å; L1772-G1775 PolarHBondContact O-N 2.91Å; L1773-G1775 PolarHBondContact O-N 3.11Å; G1775-P1777 WeakPolarHBondContact O-CD 3.36Å |
| 1776 | I | 68 | Low | 69.7 | Low | 42 Ų | 42 | 40.3 Ų | 40.3 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -69.8 | 123.1 | -179 | -63.6 | 175.2 | 0 | 0 | 0 | 110.1 | L1772 L1773 V1780 Y1781 | L1772-I1776 PolarHBondContact O-N 3.36Å; L1773-I1776 HydrophobicContact CD2-CD1 3.91Å; L1773-I1776 PolarHBondContact O-N 3.11Å; I1776-V1780 HydrophobicContact CG2-CB 3.82Å; I1776-V1780 HydrophobicContact CG2-CG1 3.9Å; I1776-Y1781 HydrophobicContact CB-CD2 4.12Å; I1776-Y1781 HydrophobicContact CB-CE1 4.47Å; I1776-Y1781 HydrophobicContact CB-CE2 3.47Å; I1776-Y1781 VanDerWaalsContact CB-CE2 3.47Å; I1776-Y1781 HydrophobicContact CD1-CE1 4.36Å; I1776-Y1781 HydrophobicContact CG2-CD1 4.32Å; I1776-Y1781 HydrophobicContact CG2-CD2 3.6Å; I1776-Y1781 HydrophobicContact CG2-CE1 4.18Å; I1776-Y1781 HydrophobicContact CG2-CE2 3.48Å; I1776-Y1781 VanDerWaalsContact CG2-CE2 3.48Å; I1776-Y1781 HydrophobicContact CG2-CG 4.05Å; I1776-Y1781 VanDerWaalsContact O-CE2 3.29Å; I1776-Y1781 WeakPolarHBondContact O-CE2 3.48Å |
| 1777 | P | 57.9 | Low | 69.6 | Low | 32 Ų | 32 | 41.1 Ų | 41.1 | 21% | 0.208 | 23% | 0.23 | C | C | . | . | trans | -66.3 | 146.1 | 176.8 | -21.6 | 33.8 | 0 | 0 | 0 | 112.9 | I530 M534 G1775 V1779 V1780 Y1781 | I530-P1777 HydrophobicContact CG2-CG 4.05Å; M534-P1777 HydrophobicContact CG-CG 4.02Å; M534-P1777 HydrophobicContact SD-CG 4.26Å; G1775-P1777 WeakPolarHBondContact O-CD 3.36Å; P1777-V1779 PolarHBondContact O-N 3.33Å; P1777-V1779 VanDerWaalsContact O-N 3.1Å; P1777-V1780 HydrophobicContact CB-CG2 4.33Å; P1777-V1780 HydrophobicContact CG-CG2 4.34Å; P1777-V1780 WeakPolarHBondContact O-CA 3.47Å; P1777-V1780 WeakPolarHBondContact O-CB 3.45Å; P1777-V1780 PolarHBondContact O-N 3.27Å; P1777-Y1781 PolarHBondContact O-N 2.87Å | ||
| 1778 | S | 68.2 | Low | 69.9 | Low | 29 Ų | 29 | 42.8 Ų | 42.8 | 20% | 0.203 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.2 | -32.5 | -178.3 | -37.7 | 0 | 0 | 0 | 0 | 114.2 | V1780 Y1781 G1782 E1875 A1878 | S1778-V1780 VanDerWaalsContact C-N 3.34Å; S1778-V1780 PolarHBondContact O-N 2.86Å; S1778-Y1781 PolarHBondContact O-N 3.27Å; S1778-G1782 PolarHBondContact O-N 2.92Å; S1778-E1875 WeakPolarHBondContact CB-OE2 3.11Å; S1778-E1875 PolarHBondContact OG-OE1 3.41Å; S1778-E1875 PolarHBondContact OG-OE2 3.27Å; S1778-A1878 VanDerWaalsContact O-CB 3.31Å; S1778-A1878 WeakPolarHBondContact O-CB 3.17Å |
| 1779 | V | 67 | Low | 71.2 | Confident | 42 Ų | 42 | 43.1 Ų | 43.1 | 26% | 0.255 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.8 | -36.9 | 173.5 | 167.6 | 0 | 0 | 0 | 0 | 112.1 | I537 P1777 G1782 F1783 L1877 M1881 | I537-V1779 HydrophobicContact CD1-CG1 4.19Å; P1777-V1779 PolarHBondContact O-N 3.33Å; P1777-V1779 VanDerWaalsContact O-N 3.1Å; V1779-G1782 PolarHBondContact O-N 3.31Å; V1779-F1783 WeakPolarHBondContact O-CB 3.47Å; V1779-F1783 PolarHBondContact O-N 3.26Å; V1779-L1877 HydrophobicContact CG2-CB 4.33Å; V1779-L1877 HydrophobicContact CG2-CD1 3.96Å; V1779-M1881 HydrophobicContact CG1-CE 4.24Å |
| 1780 | V | 64.7 | Low | 71.7 | Confident | 18 Ų | 18 | 39.8 Ų | 39.8 | 11% | 0.109 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.6 | -39.5 | 177.8 | -179 | 0 | 0 | 0 | 0 | 110.3 | T533 I1776 P1777 S1778 F1783 I1784 | T533-V1780 HydrophobicContact CG2-CG2 4.08Å; I1776-V1780 HydrophobicContact CG2-CB 3.82Å; I1776-V1780 HydrophobicContact CG2-CG1 3.9Å; P1777-V1780 HydrophobicContact CB-CG2 4.33Å; P1777-V1780 HydrophobicContact CG-CG2 4.34Å; P1777-V1780 WeakPolarHBondContact O-CA 3.47Å; P1777-V1780 WeakPolarHBondContact O-CB 3.45Å; P1777-V1780 PolarHBondContact O-N 3.27Å; S1778-V1780 VanDerWaalsContact C-N 3.34Å; S1778-V1780 PolarHBondContact O-N 2.86Å; V1780-F1783 PolarHBondContact O-N 3.29Å; V1780-I1784 HydrophobicContact CG1-CD1 3.92Å; V1780-I1784 HydrophobicContact CG1-CG1 4.43Å; V1780-I1784 WeakPolarHBondContact O-CG1 3.03Å; V1780-I1784 PolarHBondContact O-N 2.89Å |
| 1781 | Y | 77.9 | Confident | 71.8 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 6% | 0.059 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 170.5 | -79 | -64.7 | 0 | 0 | 0 | 112.5 | L1773 I1776 P1777 S1778 F1783 G1785 V1813 M1814 | L1773-Y1781 PolarHBondContact O-OH 2.75Å; I1776-Y1781 HydrophobicContact CB-CD2 4.12Å; I1776-Y1781 HydrophobicContact CB-CE1 4.47Å; I1776-Y1781 HydrophobicContact CB-CE2 3.47Å; I1776-Y1781 VanDerWaalsContact CB-CE2 3.47Å; I1776-Y1781 HydrophobicContact CD1-CE1 4.36Å; I1776-Y1781 HydrophobicContact CG2-CD1 4.32Å; I1776-Y1781 HydrophobicContact CG2-CD2 3.6Å; I1776-Y1781 HydrophobicContact CG2-CE1 4.18Å; I1776-Y1781 HydrophobicContact CG2-CE2 3.48Å; I1776-Y1781 VanDerWaalsContact CG2-CE2 3.48Å; I1776-Y1781 HydrophobicContact CG2-CG 4.05Å; I1776-Y1781 VanDerWaalsContact O-CE2 3.29Å; I1776-Y1781 WeakPolarHBondContact O-CE2 3.48Å; P1777-Y1781 PolarHBondContact O-N 2.87Å; S1778-Y1781 PolarHBondContact O-N 3.27Å; Y1781-F1783 VanDerWaalsContact C-N 3.34Å; Y1781-F1783 PolarHBondContact O-N 2.93Å; Y1781-G1785 PolarHBondContact O-N 2.94Å; Y1781-V1813 HydrophobicContact CD1-CB 4.41Å; Y1781-V1813 HydrophobicContact CE1-CB 3.85Å; Y1781-V1813 HydrophobicContact CE1-CG1 3.64Å; Y1781-M1814 HydrophobicContact CD1-CG 3.89Å; Y1781-M1814 HydrophobicContact CD2-CE 3.79Å; Y1781-M1814 HydrophobicContact CD2-CG 3.54Å; Y1781-M1814 HydrophobicContact CD2-SD 3.83Å; Y1781-M1814 HydrophobicContact CE1-CG 4.09Å; Y1781-M1814 HydrophobicContact CE2-CE 4.33Å; Y1781-M1814 HydrophobicContact CE2-CG 3.73Å; Y1781-M1814 HydrophobicContact CG-CE 4.41Å; Y1781-M1814 HydrophobicContact CG-CG 3.61Å; Y1781-M1814 HydrophobicContact CG-SD 3.87Å |
| 1782 | G | 73.6 | Confident | 72.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1778 V1779 G1785 L1786 A1878 | S1778-G1782 PolarHBondContact O-N 2.92Å; V1779-G1782 PolarHBondContact O-N 3.31Å; G1782-G1785 CarbonylContact O-C 3.48Å; G1782-G1785 WeakPolarHBondContact O-CA 3.36Å; G1782-G1785 PolarHBondContact O-N 3.48Å; G1782-L1786 PolarHBondContact O-N 2.76Å; G1782-A1878 WeakPolarHBondContact CA-O 3.49Å |
| 1783 | F | 70.5 | Confident | 73.8 | Confident | 39 Ų | 39 | 37.1 Ų | 37.1 | 17% | 0.171 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.6 | -42.2 | -179.3 | -166.4 | -95.7 | 0 | 0 | 0 | 113.2 | G737 Q740 V741 V1779 V1780 Y1781 G1785 L1786 T1787 | G737-F1783 VanDerWaalsContact CA-CZ 3.41Å; Q740-F1783 HydrophobicContact CB-CZ 4.42Å; V741-F1783 HydrophobicContact CG2-CE2 4.06Å; V1779-F1783 WeakPolarHBondContact O-CB 3.47Å; V1779-F1783 PolarHBondContact O-N 3.26Å; V1780-F1783 PolarHBondContact O-N 3.29Å; Y1781-F1783 VanDerWaalsContact C-N 3.34Å; Y1781-F1783 PolarHBondContact O-N 2.93Å; F1783-G1785 PolarHBondContact O-N 2.98Å; F1783-L1786 PolarHBondContact O-N 3.1Å; F1783-T1787 HydrophobicContact CD1-CG2 4.12Å; F1783-T1787 HydrophobicContact CE1-CG2 3.47Å; F1783-T1787 VanDerWaalsContact CE1-CG2 3.47Å; F1783-T1787 HydrophobicContact CE2-CG2 4.15Å; F1783-T1787 HydrophobicContact CZ-CG2 3.45Å; F1783-T1787 VanDerWaalsContact CZ-CG2 3.45Å; F1783-T1787 WeakPolarHBondContact O-CB 3.04Å; F1783-T1787 PolarHBondContact O-N 3.45Å; F1783-T1787 PolarHBondContact O-OG1 2.89Å |
| 1784 | I | 73.5 | Confident | 74.4 | Confident | 78 Ų | 78 | 41.4 Ų | 41.4 | 40% | 0.4 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.5 | -39.2 | 169 | -67.1 | 167.1 | 0 | 0 | 0 | 109.6 | V1780 V1788 I1789 | V1780-I1784 HydrophobicContact CG1-CD1 3.92Å; V1780-I1784 HydrophobicContact CG1-CG1 4.43Å; V1780-I1784 WeakPolarHBondContact O-CG1 3.03Å; V1780-I1784 PolarHBondContact O-N 2.89Å; I1784-V1788 HydrophobicContact CG2-CB 4.49Å; I1784-V1788 HydrophobicContact CG2-CG2 4.28Å; I1784-V1788 WeakPolarHBondContact O-CA 3.45Å; I1784-V1788 VanDerWaalsContact O-CB 3.3Å; I1784-V1788 WeakPolarHBondContact O-CB 3.32Å; I1784-V1788 PolarHBondContact O-N 2.82Å; I1784-I1789 PolarHBondContact O-N 2.83Å |
| 1785 | G | 79.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -54.6 | -53.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1781 G1782 F1783 T1787 I1789 V1790 V1882 | Y1781-G1785 PolarHBondContact O-N 2.94Å; G1782-G1785 CarbonylContact O-C 3.48Å; G1782-G1785 WeakPolarHBondContact O-CA 3.36Å; G1782-G1785 PolarHBondContact O-N 3.48Å; F1783-G1785 PolarHBondContact O-N 2.98Å; G1785-T1787 PolarHBondContact O-N 2.92Å; G1785-I1789 CarbonylContact O-C 3.52Å; G1785-I1789 WeakPolarHBondContact O-CA 3.31Å; G1785-I1789 WeakPolarHBondContact O-CB 3.38Å; G1785-I1789 PolarHBondContact O-N 3.06Å; G1785-V1790 PolarHBondContact O-N 2.87Å; G1785-V1882 VanDerWaalsContact CA-CG1 3.43Å |
| 1786 | L | 78.4 | Confident | 76.2 | Confident | 41 Ų | 41 | 46.7 Ų | 46.7 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -66.8 | -35.1 | -178 | 179.8 | 64.4 | 0 | 0 | 0 | 113 | G1782 F1783 P1791 F1802 | G1782-L1786 PolarHBondContact O-N 2.76Å; F1783-L1786 PolarHBondContact O-N 3.1Å; L1786-P1791 VanDerWaalsContact O-CD 3.3Å; L1786-P1791 WeakPolarHBondContact O-CD 3.49Å; L1786-F1802 HydrophobicContact CD1-CE1 3.67Å; L1786-F1802 HydrophobicContact CD1-CZ 3.71Å |
| 1787 | T | 73.9 | Confident | 77 | Confident | 56 Ų | 56 | 50.3 Ų | 50.3 | 34% | 0.344 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -93 | -27 | -174.6 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | F1783 G1785 P1791 | F1783-T1787 HydrophobicContact CD1-CG2 4.12Å; F1783-T1787 HydrophobicContact CE1-CG2 3.47Å; F1783-T1787 VanDerWaalsContact CE1-CG2 3.47Å; F1783-T1787 HydrophobicContact CE2-CG2 4.15Å; F1783-T1787 HydrophobicContact CZ-CG2 3.45Å; F1783-T1787 VanDerWaalsContact CZ-CG2 3.45Å; F1783-T1787 WeakPolarHBondContact O-CB 3.04Å; F1783-T1787 PolarHBondContact O-N 3.45Å; F1783-T1787 PolarHBondContact O-OG1 2.89Å; G1785-T1787 PolarHBondContact O-N 2.92Å; T1787-P1791 WeakPolarHBondContact O-CG 3.48Å |
| 1788 | V | 80.6 | Confident | 77.9 | Confident | 83 Ų | 83 | 50.2 Ų | 50.2 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -114.2 | -57 | -178.4 | -172 | 0 | 0 | 0 | 0 | 111.1 | I1784 F1792 | I1784-V1788 HydrophobicContact CG2-CB 4.49Å; I1784-V1788 HydrophobicContact CG2-CG2 4.28Å; I1784-V1788 WeakPolarHBondContact O-CA 3.45Å; I1784-V1788 VanDerWaalsContact O-CB 3.3Å; I1784-V1788 WeakPolarHBondContact O-CB 3.32Å; I1784-V1788 PolarHBondContact O-N 2.82Å; V1788-F1792 WeakPolarHBondContact O-CB 3.48Å; V1788-F1792 PolarHBondContact O-N 2.72Å |
| 1789 | I | 85.5 | Confident | 78.1 | Confident | 31 Ų | 31 | 52 Ų | 52 | 16% | 0.159 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -68.9 | -49.9 | -171.6 | -54.8 | -58.4 | 0 | 0 | 0 | 111.7 | I1784 G1785 F1792 I1793 F1809 V1810 | I1784-I1789 PolarHBondContact O-N 2.83Å; G1785-I1789 CarbonylContact O-C 3.52Å; G1785-I1789 WeakPolarHBondContact O-CA 3.31Å; G1785-I1789 WeakPolarHBondContact O-CB 3.38Å; G1785-I1789 PolarHBondContact O-N 3.06Å; I1789-F1792 PolarHBondContact O-N 2.85Å; I1789-F1792 VanDerWaalsContact O-N 3.15Å; I1789-I1793 HydrophobicContact CG2-CG1 4.07Å; I1789-I1793 WeakPolarHBondContact O-CG1 3.47Å; I1789-I1793 PolarHBondContact O-N 3.09Å; I1789-F1809 HydrophobicContact CD1-CB 4.25Å; I1789-F1809 HydrophobicContact CG1-CB 4.45Å; I1789-F1809 HydrophobicContact CG2-CB 3.75Å; I1789-F1809 HydrophobicContact CG2-CG 4.44Å; I1789-V1810 HydrophobicContact CG1-CG2 4.35Å |
| 1790 | V | 83.9 | Confident | 78.6 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60 | -47.1 | -179.1 | 163.9 | 0 | 0 | 0 | 0 | 111.9 | G1785 F1792 R1794 G1801 F1802 V1882 | G1785-V1790 PolarHBondContact O-N 2.87Å; V1790-F1792 PolarHBondContact O-N 2.87Å; V1790-R1794 VanDerWaalsContact O-CB 3.31Å; V1790-R1794 WeakPolarHBondContact O-CB 3.26Å; V1790-R1794 PolarHBondContact O-N 2.87Å; V1790-G1801 WeakPolarHBondContact O-CA 3.02Å; V1790-F1802 HydrophobicContact CG1-CD1 4.27Å; V1790-F1802 HydrophobicContact CG1-CD2 3.92Å; V1790-F1802 HydrophobicContact CG1-CE1 4.13Å; V1790-F1802 HydrophobicContact CG1-CE2 3.77Å; V1790-F1802 HydrophobicContact CG1-CG 4.18Å; V1790-F1802 HydrophobicContact CG1-CZ 3.88Å; V1790-F1802 HydrophobicContact CG2-CD1 4.09Å; V1790-F1802 HydrophobicContact CG2-CE1 4.26Å; V1790-F1802 HydrophobicContact CG2-CG 4.5Å; V1790-V1882 HydrophobicContact CG2-CB 3.84Å; V1790-V1882 HydrophobicContact CG2-CG1 3.77Å |
| 1791 | P | 79.3 | Confident | 79.3 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.3 | -36.2 | 172 | -27.6 | 38.3 | 0 | 0 | 0 | 114.3 | L1786 T1787 R1794 S1795 | L1786-P1791 VanDerWaalsContact O-CD 3.3Å; L1786-P1791 WeakPolarHBondContact O-CD 3.49Å; T1787-P1791 WeakPolarHBondContact O-CG 3.48Å; P1791-R1794 PolarHBondContact O-N 3.35Å; P1791-S1795 VanDerWaalsContact O-CB 3.31Å; P1791-S1795 WeakPolarHBondContact O-CB 3.15Å; P1791-S1795 PolarHBondContact O-N 2.91Å |
| 1792 | F | 85.5 | Confident | 79.6 | Confident | 108 Ų | 108 | 54.4 Ų | 54.4 | 47% | 0.474 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.2 | -45.4 | 177.3 | 175.6 | -101.9 | 0 | 0 | 0 | 112.2 | V1788 I1789 V1790 S1795 I1796 | V1788-F1792 WeakPolarHBondContact O-CB 3.48Å; V1788-F1792 PolarHBondContact O-N 2.72Å; I1789-F1792 PolarHBondContact O-N 2.85Å; I1789-F1792 VanDerWaalsContact O-N 3.15Å; V1790-F1792 PolarHBondContact O-N 2.87Å; F1792-S1795 WeakPolarHBondContact O-CB 3.47Å; F1792-S1795 PolarHBondContact O-N 3.42Å; F1792-I1796 HydrophobicContact CD1-CD1 4.4Å; F1792-I1796 HydrophobicContact CD2-CD1 4.13Å; F1792-I1796 HydrophobicContact CE1-CD1 3.83Å; F1792-I1796 HydrophobicContact CE2-CD1 3.53Å; F1792-I1796 HydrophobicContact CZ-CD1 3.36Å; F1792-I1796 PolarHBondContact O-N 3.42Å |
| 1793 | I | 85.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 174.4 | -65.1 | -48.7 | 0 | 0 | 0 | 110.8 | I1789 S1795 I1796 F1797 L1805 S1806 F1809 T1894 | I1789-I1793 HydrophobicContact CG2-CG1 4.07Å; I1789-I1793 WeakPolarHBondContact O-CG1 3.47Å; I1789-I1793 PolarHBondContact O-N 3.09Å; I1793-S1795 VanDerWaalsContact C-N 3.29Å; I1793-S1795 PolarHBondContact O-N 2.77Å; I1793-I1796 PolarHBondContact O-N 2.83Å; I1793-F1797 HydrophobicContact CD1-CD2 4.13Å; I1793-F1797 HydrophobicContact CD1-CE2 3.97Å; I1793-F1797 HydrophobicContact CG2-CD2 4.1Å; I1793-F1797 WeakPolarHBondContact O-CB 3.26Å; I1793-F1797 PolarHBondContact O-N 2.99Å; I1793-L1805 HydrophobicContact CD1-CD2 3.75Å; I1793-L1805 HydrophobicContact CD1-CG 4.02Å; I1793-L1805 HydrophobicContact CG1-CD2 4.44Å; I1793-L1805 HydrophobicContact CG2-CD2 4.17Å; I1793-S1806 WeakPolarHBondContact CG1-OG 3.15Å; I1793-F1809 HydrophobicContact CD1-CD2 4.07Å; I1793-F1809 HydrophobicContact CD1-CE2 3.96Å; I1793-T1894 HydrophobicContact CG2-CG2 3.8Å |
| 1794 | R | 82.3 | Confident | 81 | Confident | 123 Ų | 123 | 52.8 Ų | 52.8 | 46% | 0.464 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.9 | -38 | 172.4 | -175.2 | 169.9 | 64.9 | -150.2 | 2.8 | 112.7 | V1790 P1791 G1798 | V1790-R1794 VanDerWaalsContact O-CB 3.31Å; V1790-R1794 WeakPolarHBondContact O-CB 3.26Å; V1790-R1794 PolarHBondContact O-N 2.87Å; P1791-R1794 PolarHBondContact O-N 3.35Å; R1794-G1798 WeakPolarHBondContact O-CA 3.32Å; R1794-G1798 PolarHBondContact O-N 2.92Å |
| 1795 | S | 81 | Confident | 81.7 | Confident | 101 Ų | 101 | 50.5 Ų | 50.5 | 71% | 0.706 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.4 | -46.1 | 179 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | P1791 F1792 I1793 | P1791-S1795 VanDerWaalsContact O-CB 3.31Å; P1791-S1795 WeakPolarHBondContact O-CB 3.15Å; P1791-S1795 PolarHBondContact O-N 2.91Å; F1792-S1795 WeakPolarHBondContact O-CB 3.47Å; F1792-S1795 PolarHBondContact O-N 3.42Å; I1793-S1795 VanDerWaalsContact C-N 3.29Å; I1793-S1795 PolarHBondContact O-N 2.77Å |
| 1796 | I | 84.2 | Confident | 82.1 | Confident | 98 Ų | 98 | 50.5 Ų | 50.5 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -83.9 | -37.6 | -174.6 | -65.2 | 179.4 | 0 | 0 | 0 | 112.8 | F1792 I1793 | F1792-I1796 HydrophobicContact CD1-CD1 4.4Å; F1792-I1796 HydrophobicContact CD2-CD1 4.13Å; F1792-I1796 HydrophobicContact CE1-CD1 3.83Å; F1792-I1796 HydrophobicContact CE2-CD1 3.53Å; F1792-I1796 HydrophobicContact CZ-CD1 3.36Å; F1792-I1796 PolarHBondContact O-N 3.42Å; I1793-I1796 PolarHBondContact O-N 2.83Å |
| 1797 | F | 84.2 | Confident | 82.5 | Confident | 118 Ų | 118 | 48.5 Ų | 48.5 | 52% | 0.518 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -116 | -2.5 | -170.5 | -58.1 | -82.6 | 0 | 0 | 0 | 114.3 | I1793 L1805 T1894 | I1793-F1797 HydrophobicContact CD1-CD2 4.13Å; I1793-F1797 HydrophobicContact CD1-CE2 3.97Å; I1793-F1797 HydrophobicContact CG2-CD2 4.1Å; I1793-F1797 WeakPolarHBondContact O-CB 3.26Å; I1793-F1797 PolarHBondContact O-N 2.99Å; F1797-L1805 HydrophobicContact CD2-CD2 3.92Å; F1797-L1805 HydrophobicContact CE2-CD2 3.66Å; F1797-L1805 HydrophobicContact CZ-CD2 4.09Å; F1797-T1894 HydrophobicContact CB-CG2 3.79Å; F1797-T1894 HydrophobicContact CD2-CG2 4.41Å; F1797-T1894 HydrophobicContact CG-CG2 4.08Å |
| 1798 | G | 76.3 | Confident | 83.2 | Confident | 30 Ų | 30 | 46.2 Ų | 46.2 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | trans | 70.8 | -158.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1794 | R1794-G1798 WeakPolarHBondContact O-CA 3.32Å; R1794-G1798 PolarHBondContact O-N 2.92Å | ||
| 1799 | G | 73.6 | Confident | 83.5 | Confident | 67 Ų | 67 | 46 Ų | 46 | 69% | 0.691 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | -151.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1800 | T | 77.5 | Confident | 83.5 | Confident | 67 Ų | 67 | 44.7 Ų | 44.7 | 41% | 0.411 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -20.9 | 179.7 | 62.1 | 0 | 0 | 0 | 0 | 112.9 | F1802 | T1800-F1802 VanDerWaalsContact C-N 3.27Å; T1800-F1802 PolarHBondContact OG1-N 2.91Å |
| 1801 | G | 78.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 84.1 | -10.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1790 S1806 | V1790-G1801 WeakPolarHBondContact O-CA 3.02Å; G1801-S1806 PolarHBondContact O-OG 3.03Å |
| 1802 | F | 84.2 | Confident | 83.9 | Confident | 58 Ų | 58 | 44.2 Ų | 44.2 | 25% | 0.254 | 24% | 0.242 | S | C | . | . | trans | -93 | 131.4 | 177.9 | -64.5 | -94.3 | 0 | 0 | 0 | 110.1 | L1786 V1790 T1800 M1881 V1882 T1895 P1896 | L1786-F1802 HydrophobicContact CD1-CE1 3.67Å; L1786-F1802 HydrophobicContact CD1-CZ 3.71Å; V1790-F1802 HydrophobicContact CG1-CD1 4.27Å; V1790-F1802 HydrophobicContact CG1-CD2 3.92Å; V1790-F1802 HydrophobicContact CG1-CE1 4.13Å; V1790-F1802 HydrophobicContact CG1-CE2 3.77Å; V1790-F1802 HydrophobicContact CG1-CG 4.18Å; V1790-F1802 HydrophobicContact CG1-CZ 3.88Å; V1790-F1802 HydrophobicContact CG2-CD1 4.09Å; V1790-F1802 HydrophobicContact CG2-CE1 4.26Å; V1790-F1802 HydrophobicContact CG2-CG 4.5Å; T1800-F1802 VanDerWaalsContact C-N 3.27Å; T1800-F1802 PolarHBondContact OG1-N 2.91Å; F1802-M1881 WeakPolarHBondContact CE1-O 3.39Å; F1802-V1882 VanDerWaalsContact CA-O 3.27Å; F1802-V1882 WeakPolarHBondContact CA-O 3.49Å; F1802-T1895 CarbonylContact O-C 3.57Å; F1802-T1895 VanDerWaalsContact O-C 3.3Å; F1802-P1896 HydrophobicContact CB-CG 4.39Å; F1802-P1896 WeakPolarHBondContact O-CA 3.47Å; F1802-P1896 WeakPolarHBondContact O-CD 3.24Å | ||
| 1803 | G | 86.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 165.4 | -172.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1805 S1806 G1807 V1882 I1883 T1895 | G1803-L1805 VanDerWaalsContact C-N 3.31Å; G1803-L1805 PolarHBondContact O-N 3.41Å; G1803-S1806 PolarHBondContact O-N 3.35Å; G1803-G1807 PolarHBondContact O-N 3.01Å; G1803-G1807 VanDerWaalsContact O-N 3.11Å; G1803-V1882 PolarHBondContact N-O 2.87Å; G1803-V1882 VanDerWaalsContact N-O 3.15Å; G1803-I1883 PolarHBondContact N-O 2.58Å; G1803-T1895 WeakPolarHBondContact CA-O 3.19Å |
| 1804 | I | 87.5 | Confident | 83.6 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.2 | -46.5 | -177.4 | -67 | 176.5 | 0 | 0 | 0 | 111.3 | M1734 V1735 L1738 S1806 G1807 T1808 P1890 L1893 A1897 | M1734-I1804 HydrophobicContact CB-CD1 4.19Å; M1734-I1804 HydrophobicContact CB-CG2 4.2Å; V1735-I1804 HydrophobicContact CG2-CB 4.13Å; V1735-I1804 HydrophobicContact CG2-CG1 4.13Å; V1735-I1804 HydrophobicContact CG2-CG2 3.81Å; L1738-I1804 HydrophobicContact CD1-CG2 4.04Å; I1804-S1806 VanDerWaalsContact C-N 3.34Å; I1804-S1806 PolarHBondContact O-N 3.47Å; I1804-G1807 CarbonylContact O-C 3.5Å; I1804-G1807 PolarHBondContact O-N 2.78Å; I1804-T1808 WeakPolarHBondContact O-CB 3.35Å; I1804-T1808 PolarHBondContact O-N 3.41Å; I1804-T1808 PolarHBondContact O-OG1 3.19Å; I1804-P1890 HydrophobicContact CD1-CB 3.68Å; I1804-P1890 HydrophobicContact CD1-CG 3.85Å; I1804-L1893 HydrophobicContact CB-CD2 4.39Å; I1804-L1893 HydrophobicContact CG2-CD2 3.91Å; I1804-L1893 PolarHBondContact N-O 2.91Å; I1804-L1893 VanDerWaalsContact N-O 3.09Å; I1804-A1897 HydrophobicContact CD1-CB 4.4Å; I1804-A1897 HydrophobicContact CG1-CB 3.84Å |
| 1805 | L | 88 | Confident | 83.8 | Confident | 29 Ų | 29 | 35.6 Ų | 35.6 | 15% | 0.152 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | -177.5 | -166.7 | 62.8 | 0 | 0 | 0 | 112 | I1793 F1797 G1803 T1808 F1809 L1893 T1894 | I1793-L1805 HydrophobicContact CD1-CD2 3.75Å; I1793-L1805 HydrophobicContact CD1-CG 4.02Å; I1793-L1805 HydrophobicContact CG1-CD2 4.44Å; I1793-L1805 HydrophobicContact CG2-CD2 4.17Å; F1797-L1805 HydrophobicContact CD2-CD2 3.92Å; F1797-L1805 HydrophobicContact CE2-CD2 3.66Å; F1797-L1805 HydrophobicContact CZ-CD2 4.09Å; G1803-L1805 VanDerWaalsContact C-N 3.31Å; G1803-L1805 PolarHBondContact O-N 3.41Å; L1805-T1808 WeakPolarHBondContact O-CB 3.21Å; L1805-T1808 PolarHBondContact O-N 2.91Å; L1805-F1809 HydrophobicContact CD1-CD2 4.46Å; L1805-F1809 HydrophobicContact CD1-CE2 4.04Å; L1805-F1809 HydrophobicContact CG-CD2 4.24Å; L1805-F1809 HydrophobicContact CG-CE2 4.05Å; L1805-F1809 VanDerWaalsContact O-CD2 3.31Å; L1805-F1809 WeakPolarHBondContact O-CD2 3.27Å; L1805-F1809 PolarHBondContact O-N 3.06Å; L1805-L1893 HydrophobicContact CB-CB 4.1Å; L1805-L1893 WeakPolarHBondContact CB-O 3.13Å; L1805-L1893 PolarHBondContact N-O 3.29Å; L1805-T1894 HydrophobicContact CB-CG2 4.34Å; L1805-T1894 HydrophobicContact CD2-CG2 3.8Å |
| 1806 | S | 87.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.6 | -39 | 178.6 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | I1793 G1801 G1803 I1804 T1808 V1810 | I1793-S1806 WeakPolarHBondContact CG1-OG 3.15Å; G1801-S1806 PolarHBondContact O-OG 3.03Å; G1803-S1806 PolarHBondContact O-N 3.35Å; I1804-S1806 VanDerWaalsContact C-N 3.34Å; I1804-S1806 PolarHBondContact O-N 3.47Å; S1806-T1808 VanDerWaalsContact C-N 3.33Å; S1806-V1810 WeakPolarHBondContact O-CG2 3.37Å; S1806-V1810 PolarHBondContact O-N 3.11Å |
| 1807 | G | 87.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1735 G1803 I1804 V1810 L1811 | V1735-G1807 VanDerWaalsContact CG1-C 3.4Å; G1803-G1807 PolarHBondContact O-N 3.01Å; G1803-G1807 VanDerWaalsContact O-N 3.11Å; I1804-G1807 CarbonylContact O-C 3.5Å; I1804-G1807 PolarHBondContact O-N 2.78Å; G1807-V1810 PolarHBondContact O-N 3.43Å; G1807-L1811 PolarHBondContact O-N 3.42Å |
| 1808 | T | 87.8 | Confident | 84.2 | Confident | 8 Ų | 8 | 23 Ų | 23 | 5% | 0.049 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.1 | -41.8 | -178.6 | -73.3 | 0 | 0 | 0 | 0 | 112 | V1735 L1738 S1739 I1804 L1805 S1806 V1810 F1812 | V1735-T1808 PolarHBondContact O-OG1 3.48Å; L1738-T1808 HydrophobicContact CB-CG2 3.8Å; S1739-T1808 WeakPolarHBondContact OG-CA 3.49Å; S1739-T1808 PolarHBondContact OG-O 2.65Å; I1804-T1808 WeakPolarHBondContact O-CB 3.35Å; I1804-T1808 PolarHBondContact O-N 3.41Å; I1804-T1808 PolarHBondContact O-OG1 3.19Å; L1805-T1808 WeakPolarHBondContact O-CB 3.21Å; L1805-T1808 PolarHBondContact O-N 2.91Å; S1806-T1808 VanDerWaalsContact C-N 3.33Å; T1808-V1810 VanDerWaalsContact C-N 3.33Å; T1808-V1810 PolarHBondContact O-N 2.89Å; T1808-F1812 WeakPolarHBondContact O-CB 3.45Å; T1808-F1812 PolarHBondContact O-N 2.9Å |
| 1809 | F | 87 | Confident | 84.9 | Confident | 78 Ų | 78 | 21.6 Ų | 21.6 | 34% | 0.342 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -65.6 | -34.2 | 175.2 | -85.2 | -69.8 | 0 | 0 | 0 | 113 | I1789 I1793 L1805 | I1789-F1809 HydrophobicContact CD1-CB 4.25Å; I1789-F1809 HydrophobicContact CG1-CB 4.45Å; I1789-F1809 HydrophobicContact CG2-CB 3.75Å; I1789-F1809 HydrophobicContact CG2-CG 4.44Å; I1793-F1809 HydrophobicContact CD1-CD2 4.07Å; I1793-F1809 HydrophobicContact CD1-CE2 3.96Å; L1805-F1809 HydrophobicContact CD1-CD2 4.46Å; L1805-F1809 HydrophobicContact CD1-CE2 4.04Å; L1805-F1809 HydrophobicContact CG-CD2 4.24Å; L1805-F1809 HydrophobicContact CG-CE2 4.05Å; L1805-F1809 VanDerWaalsContact O-CD2 3.31Å; L1805-F1809 WeakPolarHBondContact O-CD2 3.27Å; L1805-F1809 PolarHBondContact O-N 3.06Å |
| 1810 | V | 86.2 | Confident | 85.7 | Confident | 4 Ų | 4 | 18.5 Ų | 18.5 | 2% | 0.024 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -71 | -51.5 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | I1789 S1806 G1807 T1808 F1812 V1813 M1814 A1878 V1882 | I1789-V1810 HydrophobicContact CG1-CG2 4.35Å; S1806-V1810 WeakPolarHBondContact O-CG2 3.37Å; S1806-V1810 PolarHBondContact O-N 3.11Å; G1807-V1810 PolarHBondContact O-N 3.43Å; T1808-V1810 VanDerWaalsContact C-N 3.33Å; T1808-V1810 PolarHBondContact O-N 2.89Å; V1810-F1812 VanDerWaalsContact C-N 3.32Å; V1810-F1812 PolarHBondContact O-N 3.2Å; V1810-V1813 PolarHBondContact O-N 3.26Å; V1810-M1814 HydrophobicContact CG1-SD 4.5Å; V1810-A1878 HydrophobicContact CG1-CB 4Å; V1810-V1882 HydrophobicContact CB-CG2 4.37Å; V1810-V1882 HydrophobicContact CG2-CG1 4.01Å; V1810-V1882 HydrophobicContact CG2-CG2 3.98Å |
| 1811 | L | 84.7 | Confident | 86 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.9 | -31.3 | 179.7 | -82.4 | -172.5 | 0 | 0 | 0 | 113.3 | V1735 S1739 G1807 V1813 M1814 I1815 A1872 E1875 I1879 | V1735-L1811 HydrophobicContact CG1-CD1 3.89Å; S1739-L1811 VanDerWaalsContact OG-CB 3.25Å; S1739-L1811 WeakPolarHBondContact OG-CB 2.96Å; G1807-L1811 PolarHBondContact O-N 3.42Å; L1811-V1813 VanDerWaalsContact C-N 3.27Å; L1811-V1813 PolarHBondContact O-N 2.87Å; L1811-M1814 HydrophobicContact CD2-SD 4.02Å; L1811-M1814 PolarHBondContact O-N 3.35Å; L1811-M1814 VanDerWaalsContact O-N 3.09Å; L1811-I1815 WeakPolarHBondContact O-CG1 3.4Å; L1811-I1815 PolarHBondContact O-N 3.35Å; L1811-A1872 HydrophobicContact CD1-CB 4.02Å; L1811-A1872 HydrophobicContact CD2-CB 3.81Å; L1811-A1872 HydrophobicContact CG-CB 4.37Å; L1811-E1875 HydrophobicContact CD2-CB 4.04Å; L1811-I1879 HydrophobicContact CD1-CD1 3.63Å; L1811-I1879 HydrophobicContact CD1-CG1 3.87Å; L1811-I1879 HydrophobicContact CD2-CD1 4.15Å; L1811-I1879 HydrophobicContact CD2-CG1 3.98Å; L1811-I1879 HydrophobicContact CG-CD1 4.09Å; L1811-I1879 HydrophobicContact CG-CG1 3.8Å |
| 1812 | F | 85.5 | Confident | 86.2 | Confident | 35 Ų | 35 | 20.2 Ų | 20.2 | 15% | 0.154 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -48.7 | -49 | 172.9 | 152.9 | -109.9 | 0 | 0 | 0 | 111.9 | V1742 A1743 F1746 T1808 V1810 M1814 I1815 L1816 | V1742-F1812 HydrophobicContact CB-CD2 4.15Å; V1742-F1812 HydrophobicContact CG1-CD2 3.59Å; V1742-F1812 HydrophobicContact CG1-CE2 3.92Å; V1742-F1812 HydrophobicContact CG1-CG 4.03Å; A1743-F1812 HydrophobicContact CB-CD2 3.91Å; A1743-F1812 HydrophobicContact CB-CE2 4.45Å; F1746-F1812 HydrophobicContact CD2-CE2 4.26Å; F1746-F1812 HydrophobicContact CG-CE2 4.38Å; T1808-F1812 WeakPolarHBondContact O-CB 3.45Å; T1808-F1812 PolarHBondContact O-N 2.9Å; V1810-F1812 VanDerWaalsContact C-N 3.32Å; V1810-F1812 PolarHBondContact O-N 3.2Å; F1812-M1814 VanDerWaalsContact C-N 3.32Å; F1812-M1814 PolarHBondContact O-N 2.99Å; F1812-I1815 PolarHBondContact O-N 3.01Å; F1812-L1816 HydrophobicContact CE2-CD2 4.42Å; F1812-L1816 HydrophobicContact CZ-CD2 4.26Å; F1812-L1816 VanDerWaalsContact O-CB 3.32Å; F1812-L1816 WeakPolarHBondContact O-CB 3.19Å; F1812-L1816 PolarHBondContact O-N 2.96Å |
| 1813 | V | 83.9 | Confident | 86.6 | Confident | 42 Ų | 42 | 17.4 Ų | 17.4 | 26% | 0.255 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -69.9 | -30.9 | -177.7 | -165.8 | 0 | 0 | 0 | 0 | 111.6 | L1773 Y1781 V1810 L1811 P1817 | L1773-V1813 HydrophobicContact CD1-CG1 4.38Å; L1773-V1813 HydrophobicContact CD2-CG1 3.83Å; Y1781-V1813 HydrophobicContact CD1-CB 4.41Å; Y1781-V1813 HydrophobicContact CE1-CB 3.85Å; Y1781-V1813 HydrophobicContact CE1-CG1 3.64Å; V1810-V1813 PolarHBondContact O-N 3.26Å; L1811-V1813 VanDerWaalsContact C-N 3.27Å; L1811-V1813 PolarHBondContact O-N 2.87Å; V1813-P1817 WeakPolarHBondContact O-CD 3.45Å |
| 1814 | M | 82.4 | Confident | 86.7 | Confident | 8 Ų | 8 | 17.5 Ų | 17.5 | 4% | 0.039 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -74.9 | -36.3 | 177.3 | -58.5 | -175.6 | 72.6 | 0 | 0 | 113.1 | Y1781 V1810 L1811 F1812 E1875 A1878 | Y1781-M1814 HydrophobicContact CD1-CG 3.89Å; Y1781-M1814 HydrophobicContact CD2-CE 3.79Å; Y1781-M1814 HydrophobicContact CD2-CG 3.54Å; Y1781-M1814 HydrophobicContact CD2-SD 3.83Å; Y1781-M1814 HydrophobicContact CE1-CG 4.09Å; Y1781-M1814 HydrophobicContact CE2-CE 4.33Å; Y1781-M1814 HydrophobicContact CE2-CG 3.73Å; Y1781-M1814 HydrophobicContact CG-CE 4.41Å; Y1781-M1814 HydrophobicContact CG-CG 3.61Å; Y1781-M1814 HydrophobicContact CG-SD 3.87Å; V1810-M1814 HydrophobicContact CG1-SD 4.5Å; L1811-M1814 HydrophobicContact CD2-SD 4.02Å; L1811-M1814 PolarHBondContact O-N 3.35Å; L1811-M1814 VanDerWaalsContact O-N 3.09Å; F1812-M1814 VanDerWaalsContact C-N 3.32Å; F1812-M1814 PolarHBondContact O-N 2.99Å; M1814-E1875 HydrophobicContact CE-CB 4.12Å; M1814-E1875 HydrophobicContact CE-CG 3.69Å; M1814-E1875 VanDerWaalsContact CE-OE1 3.3Å; M1814-E1875 WeakPolarHBondContact CE-OE1 3.34Å; M1814-A1878 HydrophobicContact CE-CB 4.36Å; M1814-A1878 HydrophobicContact SD-CB 3.67Å |
| 1815 | I | 86.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -71.6 | -45.7 | 177 | -68.1 | 178.2 | 0 | 0 | 0 | 110.7 | A1740 A1743 L1811 F1812 T1818 V1819 A1872 | A1740-I1815 HydrophobicContact CB-CD1 4.37Å; A1743-I1815 HydrophobicContact CB-CB 3.98Å; A1743-I1815 HydrophobicContact CB-CG2 3.6Å; L1811-I1815 WeakPolarHBondContact O-CG1 3.4Å; L1811-I1815 PolarHBondContact O-N 3.35Å; F1812-I1815 PolarHBondContact O-N 3.01Å; I1815-T1818 PolarHBondContact O-N 3.16Å; I1815-V1819 HydrophobicContact CG2-CG2 3.47Å; I1815-V1819 VanDerWaalsContact CG2-CG2 3.47Å; I1815-V1819 PolarHBondContact O-N 3.13Å; I1815-V1819 VanDerWaalsContact O-N 3.15Å; I1815-A1872 HydrophobicContact CD1-CB 3.61Å; I1815-A1872 HydrophobicContact CG1-CB 3.52Å |
| 1816 | L | 88.3 | Confident | 86.5 | Confident | 31 Ų | 31 | 21.2 Ų | 21.2 | 16% | 0.162 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -42.5 | -55.1 | -172 | 178.4 | 62.6 | 0 | 0 | 0 | 114.5 | A1743 F1746 A1747 F1812 T1818 V1819 T1820 | A1743-L1816 HydrophobicContact CB-CB 4.49Å; F1746-L1816 HydrophobicContact CB-CD1 3.68Å; A1747-L1816 HydrophobicContact CB-CD1 4.08Å; F1812-L1816 HydrophobicContact CE2-CD2 4.42Å; F1812-L1816 HydrophobicContact CZ-CD2 4.26Å; F1812-L1816 VanDerWaalsContact O-CB 3.32Å; F1812-L1816 WeakPolarHBondContact O-CB 3.19Å; F1812-L1816 PolarHBondContact O-N 2.96Å; L1816-T1818 PolarHBondContact O-N 3.02Å; L1816-V1819 PolarHBondContact O-N 3.24Å; L1816-T1820 WeakPolarHBondContact O-CB 3.37Å; L1816-T1820 PolarHBondContact O-N 3.3Å; L1816-T1820 PolarHBondContact O-OG1 3.43Å |
| 1817 | P | 86.8 | Confident | 86.6 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.1 | -37.7 | -176.7 | 26.4 | -35.8 | 0 | 0 | 0 | 113 | I1770 L1773 V1774 V1813 T1820 T1821 | I1770-P1817 HydrophobicContact CG2-CB 3.75Å; I1770-P1817 WeakPolarHBondContact O-CB 3.48Å; L1773-P1817 HydrophobicContact CB-CB 4.26Å; L1773-P1817 HydrophobicContact CB-CG 4.03Å; V1774-P1817 HydrophobicContact CG2-CB 3.66Å; V1774-P1817 HydrophobicContact CG2-CG 4.03Å; V1813-P1817 WeakPolarHBondContact O-CD 3.45Å; P1817-T1820 PolarHBondContact O-N 2.8Å; P1817-T1821 PolarHBondContact O-N 3.13Å; P1817-T1821 PolarHBondContact O-OG1 2.77Å |
| 1818 | T | 82.5 | Confident | 86.5 | Confident | 21 Ų | 21 | 26.3 Ų | 26.3 | 13% | 0.129 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.2 | -42.1 | -179.2 | -52.3 | 0 | 0 | 0 | 0 | 111.3 | I1815 L1816 T1820 T1821 R1871 | I1815-T1818 PolarHBondContact O-N 3.16Å; L1816-T1818 PolarHBondContact O-N 3.02Å; T1818-T1820 VanDerWaalsContact C-N 3.34Å; T1818-T1821 PolarHBondContact O-OG1 3.38Å; T1818-R1871 WeakPolarHBondContact OG1-CD 3.31Å; T1818-R1871 PolarHBondContact OG1-NH1 2.93Å; T1818-R1871 VanDerWaalsContact OG1-NH1 3.11Å |
| 1819 | V | 90.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.8 | -35.2 | 175.3 | -175 | 0 | 0 | 0 | 0 | 110.7 | A1747 I1815 L1816 T1823 A1864 V1865 | A1747-V1819 HydrophobicContact CB-CB 3.73Å; A1747-V1819 HydrophobicContact CB-CG1 3.59Å; I1815-V1819 HydrophobicContact CG2-CG2 3.47Å; I1815-V1819 VanDerWaalsContact CG2-CG2 3.47Å; I1815-V1819 PolarHBondContact O-N 3.13Å; I1815-V1819 VanDerWaalsContact O-N 3.15Å; L1816-V1819 PolarHBondContact O-N 3.24Å; V1819-T1823 VanDerWaalsContact O-CB 3.24Å; V1819-T1823 WeakPolarHBondContact O-CB 3.46Å; V1819-T1823 PolarHBondContact O-N 3.05Å; V1819-T1823 PolarHBondContact O-OG1 2.94Å; V1819-A1864 HydrophobicContact CG1-CB 4.19Å; V1819-V1865 HydrophobicContact CG1-CG2 3.97Å |
| 1820 | T | 89.7 | Confident | 86.2 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.7 | -48.3 | -176.4 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | A1747 A1750 A1751 M1754 I1770 L1816 P1817 T1818 T1823 V1824 | A1747-T1820 VanDerWaalsContact CA-OG1 3.29Å; A1747-T1820 WeakPolarHBondContact CA-OG1 3.22Å; A1747-T1820 WeakPolarHBondContact CB-OG1 3.45Å; A1750-T1820 HydrophobicContact CB-CG2 3.85Å; A1751-T1820 HydrophobicContact CB-CG2 4.34Å; M1754-T1820 HydrophobicContact CE-CG2 3.57Å; I1770-T1820 HydrophobicContact CD1-CG2 3.51Å; I1770-T1820 HydrophobicContact CG1-CG2 4.43Å; L1816-T1820 WeakPolarHBondContact O-CB 3.37Å; L1816-T1820 PolarHBondContact O-N 3.3Å; L1816-T1820 PolarHBondContact O-OG1 3.43Å; P1817-T1820 PolarHBondContact O-N 2.8Å; T1818-T1820 VanDerWaalsContact C-N 3.34Å; T1820-T1823 PolarHBondContact O-N 3.24Å; T1820-V1824 WeakPolarHBondContact O-CG2 3.41Å; T1820-V1824 PolarHBondContact O-N 3.15Å |
| 1821 | T | 84.3 | Confident | 85.6 | Confident | 41 Ų | 41 | 29.7 Ų | 29.7 | 25% | 0.252 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.9 | -49.9 | -179.4 | 51.8 | 0 | 0 | 0 | 0 | 111.8 | I1770 P1817 T1818 T1823 V1824 D1825 | I1770-T1821 HydrophobicContact CG2-CG2 3.7Å; P1817-T1821 PolarHBondContact O-N 3.13Å; P1817-T1821 PolarHBondContact O-OG1 2.77Å; T1818-T1821 PolarHBondContact O-OG1 3.38Å; T1821-T1823 VanDerWaalsContact C-N 3.25Å; T1821-T1823 PolarHBondContact O-N 3.3Å; T1821-V1824 WeakPolarHBondContact O-CB 3.5Å; T1821-V1824 PolarHBondContact O-N 2.83Å; T1821-V1824 VanDerWaalsContact O-N 3.11Å; T1821-D1825 PolarHBondContact O-N 3.43Å; T1821-D1825 VanDerWaalsContact O-N 3.09Å |
| 1822 | M | 83.4 | Confident | 85.2 | Confident | 62 Ų | 62 | 38.7 Ų | 38.7 | 31% | 0.305 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.4 | -31.7 | 177.2 | -64.5 | -176.6 | 75.3 | 0 | 0 | 112.5 | T1826 T1863 A1864 F1867 | M1822-T1826 WeakPolarHBondContact O-CB 3.47Å; M1822-T1826 PolarHBondContact O-N 3.38Å; M1822-T1826 PolarHBondContact O-OG1 2.84Å; M1822-T1863 HydrophobicContact CE-CG2 4.26Å; M1822-A1864 HydrophobicContact CB-CB 3.52Å; M1822-F1867 HydrophobicContact CE-CB 4.26Å; M1822-F1867 HydrophobicContact CE-CD2 3.88Å; M1822-F1867 HydrophobicContact CE-CE2 4.43Å; M1822-F1867 HydrophobicContact CE-CG 4.05Å; M1822-F1867 HydrophobicContact SD-CB 3.77Å; M1822-F1867 HydrophobicContact SD-CG 4.13Å |
| 1823 | T | 92.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.2 | -39.9 | 173.4 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | I1748 A1751 V1819 T1820 T1821 D1825 T1826 L1827 I1861 | I1748-T1823 HydrophobicContact CG1-CG2 4.33Å; A1751-T1823 HydrophobicContact CB-CG2 3.5Å; A1751-T1823 VanDerWaalsContact CB-CG2 3.5Å; V1819-T1823 VanDerWaalsContact O-CB 3.24Å; V1819-T1823 WeakPolarHBondContact O-CB 3.46Å; V1819-T1823 PolarHBondContact O-N 3.05Å; V1819-T1823 PolarHBondContact O-OG1 2.94Å; T1820-T1823 PolarHBondContact O-N 3.24Å; T1821-T1823 VanDerWaalsContact C-N 3.25Å; T1821-T1823 PolarHBondContact O-N 3.3Å; T1823-D1825 VanDerWaalsContact C-N 3.33Å; T1823-D1825 PolarHBondContact O-N 3.03Å; T1823-T1826 PolarHBondContact O-N 3.1Å; T1823-L1827 HydrophobicContact CG2-CD1 3.93Å; T1823-L1827 HydrophobicContact CG2-CG 4.31Å; T1823-L1827 WeakPolarHBondContact O-CB 3.25Å; T1823-L1827 WeakPolarHBondContact O-CG 3.41Å; T1823-L1827 PolarHBondContact O-N 3.04Å; T1823-I1861 HydrophobicContact CG2-CD1 4.28Å; T1823-I1861 HydrophobicContact CG2-CG1 3.99Å |
| 1824 | V | 88.7 | Confident | 84.3 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.2 | -47.8 | 174.3 | 164.4 | 0 | 0 | 0 | 0 | 110.5 | A1751 M1754 T1755 T1820 T1821 L1827 K1828 | A1751-V1824 HydrophobicContact CB-CG2 3.62Å; M1754-V1824 HydrophobicContact CB-CG2 4.22Å; M1754-V1824 HydrophobicContact CE-CG2 3.53Å; M1754-V1824 HydrophobicContact SD-CG2 4.47Å; T1755-V1824 HydrophobicContact CG2-CB 4.47Å; T1755-V1824 HydrophobicContact CG2-CG1 4.03Å; T1820-V1824 WeakPolarHBondContact O-CG2 3.41Å; T1820-V1824 PolarHBondContact O-N 3.15Å; T1821-V1824 WeakPolarHBondContact O-CB 3.5Å; T1821-V1824 PolarHBondContact O-N 2.83Å; T1821-V1824 VanDerWaalsContact O-N 3.11Å; V1824-L1827 PolarHBondContact O-N 3.02Å; V1824-K1828 HydrophobicContact CG1-CD 4.15Å; V1824-K1828 VanDerWaalsContact CG1-NZ 3.33Å; V1824-K1828 WeakPolarHBondContact O-CG 3.49Å; V1824-K1828 PolarHBondContact O-N 2.64Å |
| 1825 | D | 83.7 | Confident | 84 | Confident | 88 Ų | 88 | 47.3 Ų | 47.3 | 47% | 0.471 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -73.2 | -31.1 | -177.9 | -62.9 | -29.5 | 0 | 0 | 0 | 112.4 | T1821 T1823 K1828 S1829 | T1821-D1825 PolarHBondContact O-N 3.43Å; T1821-D1825 VanDerWaalsContact O-N 3.09Å; T1823-D1825 VanDerWaalsContact C-N 3.33Å; T1823-D1825 PolarHBondContact O-N 3.03Å; D1825-K1828 PolarHBondContact O-N 3.44Å; D1825-K1828 IonicContact OD1-NZ 3.92Å; D1825-K1828 PolarHBondContact OD1-NZ 3.22Å; D1825-S1829 PolarHBondContact O-N 2.72Å; D1825-S1829 PolarHBondContact O-OG 2.82Å |
| 1826 | T | 87.8 | Confident | 83.3 | Confident | 24 Ų | 24 | 52.9 Ų | 52.9 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 168.9 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | M1822 T1823 S1829 A1857 I1861 | M1822-T1826 WeakPolarHBondContact O-CB 3.47Å; M1822-T1826 PolarHBondContact O-N 3.38Å; M1822-T1826 PolarHBondContact O-OG1 2.84Å; T1823-T1826 PolarHBondContact O-N 3.1Å; T1826-S1829 PolarHBondContact O-N 2.81Å; T1826-S1829 PolarHBondContact O-OG 2.92Å; T1826-A1857 HydrophobicContact CG2-CB 3.8Å; T1826-A1857 WeakPolarHBondContact CG2-O 3.3Å; T1826-I1861 HydrophobicContact CG2-CG1 4.49Å |
| 1827 | L | 89.7 | Confident | 82 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.3 | -34.2 | 177.5 | -71.2 | 169 | 0 | 0 | 0 | 112 | A1751 V1752 T1755 T1823 V1824 R1835 V1853 L1854 A1857 | A1751-L1827 HydrophobicContact CB-CD1 3.9Å; V1752-L1827 HydrophobicContact CG2-CD1 3.8Å; T1755-L1827 HydrophobicContact CG2-CB 4.03Å; T1823-L1827 HydrophobicContact CG2-CD1 3.93Å; T1823-L1827 HydrophobicContact CG2-CG 4.31Å; T1823-L1827 WeakPolarHBondContact O-CB 3.25Å; T1823-L1827 WeakPolarHBondContact O-CG 3.41Å; T1823-L1827 PolarHBondContact O-N 3.04Å; V1824-L1827 PolarHBondContact O-N 3.02Å; L1827-R1835 PolarHBondContact O-NH2 2.82Å; L1827-V1853 HydrophobicContact CD2-CG1 3.88Å; L1827-L1854 HydrophobicContact CD2-CD2 4.11Å; L1827-A1857 HydrophobicContact CD2-CB 3.85Å |
| 1828 | K | 83.7 | Confident | 81.1 | Confident | 106 Ų | 106 | 54.9 Ų | 54.9 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.5 | -34.5 | 172.6 | -72.1 | 171.4 | -170.2 | 158.1 | 0 | 112.8 | T1755 V1824 D1825 | T1755-K1828 HydrophobicContact CG2-CG 4.25Å; V1824-K1828 HydrophobicContact CG1-CD 4.15Å; V1824-K1828 VanDerWaalsContact CG1-NZ 3.33Å; V1824-K1828 WeakPolarHBondContact O-CG 3.49Å; V1824-K1828 PolarHBondContact O-N 2.64Å; D1825-K1828 PolarHBondContact O-N 3.44Å; D1825-K1828 IonicContact OD1-NZ 3.92Å; D1825-K1828 PolarHBondContact OD1-NZ 3.22Å |
| 1829 | S | 83.6 | Confident | 80.1 | Confident | 89 Ų | 89 | 57.7 Ų | 57.7 | 62% | 0.622 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -78.4 | -15.6 | -176.7 | 69.1 | 0 | 0 | 0 | 0 | 114.6 | D1825 T1826 P1831 | D1825-S1829 PolarHBondContact O-N 2.72Å; D1825-S1829 PolarHBondContact O-OG 2.82Å; T1826-S1829 PolarHBondContact O-N 2.81Å; T1826-S1829 PolarHBondContact O-OG 2.92Å; S1829-P1831 WeakPolarHBondContact O-CD 3.25Å |
| 1830 | V | 85.5 | Confident | 78.3 | Confident | 10 Ų | 10 | 62 Ų | 62 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -59.2 | 123.1 | 170.2 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | R1835 V1853 A1856 A1857 | V1830-R1835 PolarHBondContact O-NH1 3.07Å; V1830-V1853 HydrophobicContact CB-CG1 4.38Å; V1830-V1853 HydrophobicContact CG1-CG1 4.38Å; V1830-V1853 HydrophobicContact CG2-CG1 4.28Å; V1830-A1856 HydrophobicContact CG1-CB 4.16Å; V1830-A1856 HydrophobicContact CG2-CB 4.21Å; V1830-A1857 HydrophobicContact CG2-CB 4.26Å |
| 1831 | P | 74.9 | Confident | 76.8 | Confident | 62 Ų | 62 | 69.4 Ų | 69.4 | 40% | 0.403 | 37% | 0.365 | S | S | . | . | trans | -62.4 | 146.5 | -176.1 | -23.5 | 33.4 | 0 | 0 | 0 | 113.8 | S1829 H1833 Y1834 | S1829-P1831 WeakPolarHBondContact O-CD 3.25Å; P1831-H1833 PolarHBondContact O-N 3.46Å; P1831-Y1834 HydrophobicContact CB-CD2 4.07Å; P1831-Y1834 HydrophobicContact CB-CE2 4.4Å; P1831-Y1834 HydrophobicContact CG-CD2 4.27Å; P1831-Y1834 HydrophobicContact CG-CE2 4.23Å; P1831-Y1834 PolarHBondContact O-N 3.28Å | ||
| 1832 | R | 74.6 | Confident | 75.5 | Confident | 190 Ų | 190 | 70.4 Ų | 70.4 | 72% | 0.717 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.2 | -35.4 | -174.2 | -68 | -171.4 | -179.8 | -171.4 | 1.3 | 114.1 | Y1834 R1835 E1836 | R1832-Y1834 PolarHBondContact O-N 3.4Å; R1832-Y1834 VanDerWaalsContact O-N 3.12Å; R1832-R1835 WeakPolarHBondContact O-CA 3.19Å; R1832-R1835 WeakPolarHBondContact O-CB 3.19Å; R1832-R1835 PolarHBondContact O-N 2.8Å; R1832-E1836 PolarHBondContact O-N 3.07Å |
| 1833 | H | 79 | Confident | 74.6 | Confident | 113 Ų | 113 | 68.2 Ų | 68.2 | 52% | 0.523 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.7 | -27.6 | -178.1 | 62.2 | -109.3 | 0 | 0 | 0 | 113.7 | P1831 R1835 E1836 A1837 | P1831-H1833 PolarHBondContact O-N 3.46Å; H1833-R1835 VanDerWaalsContact C-N 3.31Å; H1833-R1835 PolarHBondContact O-N 2.81Å; H1833-E1836 PolarHBondContact O-N 2.96Å; H1833-A1837 VanDerWaalsContact O-CB 3.29Å; H1833-A1837 WeakPolarHBondContact O-CB 3.44Å; H1833-A1837 PolarHBondContact O-N 2.71Å |
| 1834 | Y | 73.2 | Confident | 73.9 | Confident | 114 Ų | 114 | 71.7 Ų | 71.7 | 45% | 0.447 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.4 | -37.3 | 172.5 | -79.2 | -92 | 0 | 0 | 0 | 112.4 | P1831 R1832 S1838 V1852 | P1831-Y1834 HydrophobicContact CB-CD2 4.07Å; P1831-Y1834 HydrophobicContact CB-CE2 4.4Å; P1831-Y1834 HydrophobicContact CG-CD2 4.27Å; P1831-Y1834 HydrophobicContact CG-CE2 4.23Å; P1831-Y1834 PolarHBondContact O-N 3.28Å; R1832-Y1834 PolarHBondContact O-N 3.4Å; R1832-Y1834 VanDerWaalsContact O-N 3.12Å; Y1834-S1838 WeakPolarHBondContact O-CB 3.23Å; Y1834-S1838 PolarHBondContact O-N 3.08Å; Y1834-V1852 HydrophobicContact CD1-CG1 4.02Å; Y1834-V1852 HydrophobicContact CG-CG1 4.45Å |
| 1835 | R | 74.1 | Confident | 72.9 | Confident | 39 Ų | 39 | 81.4 Ų | 81.4 | 15% | 0.147 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -70.8 | -45.9 | 176.7 | -61.2 | 176.9 | 175.9 | 82.3 | -9.3 | 110.3 | E1756 L1827 V1830 R1832 H1833 S1838 L1839 T1848 V1853 | E1756-R1835 IonicContact OE1-CZ 2.79Å; E1756-R1835 IonicContact OE1-NE 2.83Å; E1756-R1835 PolarHBondContact OE1-NE 3.04Å; E1756-R1835 IonicContact OE1-NH2 3.68Å; E1756-R1835 PolarHBondContact OE1-NH2 2.97Å; E1756-R1835 IonicContact OE2-NE 2.75Å; E1756-R1835 PolarHBondContact OE2-NE 3.05Å; L1827-R1835 PolarHBondContact O-NH2 2.82Å; V1830-R1835 PolarHBondContact O-NH1 3.07Å; R1832-R1835 WeakPolarHBondContact O-CA 3.19Å; R1832-R1835 WeakPolarHBondContact O-CB 3.19Å; R1832-R1835 PolarHBondContact O-N 2.8Å; H1833-R1835 VanDerWaalsContact C-N 3.31Å; H1833-R1835 PolarHBondContact O-N 2.81Å; R1835-S1838 PolarHBondContact O-N 3.45Å; R1835-L1839 VanDerWaalsContact O-CG 3.28Å; R1835-L1839 WeakPolarHBondContact O-CG 3.44Å; R1835-L1839 PolarHBondContact O-N 2.83Å; R1835-T1848 HydrophobicContact CB-CG2 4.11Å; R1835-T1848 HydrophobicContact CG-CG2 4.32Å; R1835-V1853 HydrophobicContact CG-CG2 3.66Å |
| 1836 | E | 72.4 | Confident | 72.9 | Confident | 117 Ų | 117 | 84.7 Ų | 84.7 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.9 | -47.4 | -179.2 | -67.6 | 159 | -163.2 | 0 | 0 | 111.7 | R1832 H1833 S1838 L1839 A1840 | R1832-E1836 PolarHBondContact O-N 3.07Å; H1833-E1836 PolarHBondContact O-N 2.96Å; E1836-S1838 PolarHBondContact O-N 2.75Å; E1836-L1839 PolarHBondContact O-N 2.84Å; E1836-A1840 WeakPolarHBondContact O-CB 3.39Å; E1836-A1840 PolarHBondContact O-N 3.07Å |
| 1837 | A | 61.1 | Low | 72.4 | Confident | 53 Ų | 53 | 87.7 Ų | 87.7 | 44% | 0.438 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1833 L1839 A1840 L1841 | H1833-A1837 VanDerWaalsContact O-CB 3.29Å; H1833-A1837 WeakPolarHBondContact O-CB 3.44Å; H1833-A1837 PolarHBondContact O-N 2.71Å; A1837-L1839 PolarHBondContact O-N 3.13Å; A1837-A1840 PolarHBondContact O-N 3.41Å; A1837-L1841 WeakPolarHBondContact O-CB 3.44Å; A1837-L1841 VanDerWaalsContact O-CG 3.3Å; A1837-L1841 WeakPolarHBondContact O-CG 3.39Å; A1837-L1841 PolarHBondContact O-N 3.03Å |
| 1838 | S | 68 | Low | 71.8 | Confident | 20 Ų | 20 | 87.9 Ų | 87.9 | 14% | 0.14 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 177.1 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | Y1834 R1835 E1836 G1843 T1848 | Y1834-S1838 WeakPolarHBondContact O-CB 3.23Å; Y1834-S1838 PolarHBondContact O-N 3.08Å; R1835-S1838 PolarHBondContact O-N 3.45Å; E1836-S1838 PolarHBondContact O-N 2.75Å; S1838-G1843 VanDerWaalsContact O-CA 3.3Å; S1838-G1843 WeakPolarHBondContact O-CA 3.48Å; S1838-G1843 PolarHBondContact O-N 2.92Å; S1838-T1848 VanDerWaalsContact CB-OG1 3.31Å; S1838-T1848 WeakPolarHBondContact CB-OG1 3.3Å; S1838-T1848 WeakPolarHBondContact OG-CA 3.15Å; S1838-T1848 WeakPolarHBondContact OG-CB 3.49Å; S1838-T1848 PolarHBondContact OG-OG1 2.82Å |
| 1839 | L | 62 | Low | 71.8 | Confident | 81 Ų | 81 | 83.3 Ų | 83.3 | 42% | 0.424 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.8 | -39.9 | 175.3 | -66.5 | 167.4 | 0 | 0 | 0 | 111.8 | R1835 E1836 A1837 L1841 G1842 G1843 R1845 | R1835-L1839 VanDerWaalsContact O-CG 3.28Å; R1835-L1839 WeakPolarHBondContact O-CG 3.44Å; R1835-L1839 PolarHBondContact O-N 2.83Å; E1836-L1839 PolarHBondContact O-N 2.84Å; A1837-L1839 PolarHBondContact O-N 3.13Å; L1839-L1841 VanDerWaalsContact C-N 3.31Å; L1839-L1841 PolarHBondContact O-N 3.47Å; L1839-G1842 PolarHBondContact O-N 3.09Å; L1839-G1843 WeakPolarHBondContact CD2-O 3.48Å; L1839-R1845 HydrophobicContact CD2-CG 4.2Å |
| 1840 | A | 51.6 | Low | 71.8 | Confident | 89 Ų | 89 | 86.3 Ų | 86.3 | 74% | 0.736 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.8 | -31.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | E1836 A1837 G1842 | E1836-A1840 WeakPolarHBondContact O-CB 3.39Å; E1836-A1840 PolarHBondContact O-N 3.07Å; A1837-A1840 PolarHBondContact O-N 3.41Å; A1840-G1842 PolarHBondContact O-N 3.33Å |
| 1841 | L | 58.6 | Low | 71.5 | Confident | 157 Ų | 157 | 92 Ų | 92 | 82% | 0.822 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 10.9 | 171 | -69.9 | 169.9 | 0 | 0 | 0 | 113.6 | A1837 L1839 G1843 | A1837-L1841 WeakPolarHBondContact O-CB 3.44Å; A1837-L1841 VanDerWaalsContact O-CG 3.3Å; A1837-L1841 WeakPolarHBondContact O-CG 3.39Å; A1837-L1841 PolarHBondContact O-N 3.03Å; L1839-L1841 VanDerWaalsContact C-N 3.31Å; L1839-L1841 PolarHBondContact O-N 3.47Å; L1841-G1843 VanDerWaalsContact C-N 3.33Å |
| 1842 | G | 56.3 | Low | 71.9 | Confident | 62 Ų | 62 | 90.7 Ų | 90.7 | 64% | 0.639 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 8.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1839 A1840 | L1839-G1842 PolarHBondContact O-N 3.09Å; A1840-G1842 PolarHBondContact O-N 3.33Å |
| 1843 | G | 64.5 | Low | 72.5 | Confident | 16 Ų | 16 | 81.6 Ų | 81.6 | 17% | 0.165 | 41% | 0.414 | C | S | . | . | trans | -67.2 | 135.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1838 L1839 L1841 | S1838-G1843 VanDerWaalsContact O-CA 3.3Å; S1838-G1843 WeakPolarHBondContact O-CA 3.48Å; S1838-G1843 PolarHBondContact O-N 2.92Å; L1839-G1843 WeakPolarHBondContact CD2-O 3.48Å; L1841-G1843 VanDerWaalsContact C-N 3.33Å | ||
| 1844 | T | 79.3 | Confident | 73 | Confident | 74 Ų | 74 | 77.8 Ų | 77.8 | 45% | 0.454 | 40% | 0.398 | S | S | . | . | trans | -70 | 158.1 | 175 | 75 | 0 | 0 | 0 | 0 | 111.1 | W1846 Q1847 T1848 | T1844-W1846 PolarHBondContact O-N 3.03Å; T1844-W1846 VanDerWaalsContact O-N 3.14Å; T1844-Q1847 WeakPolarHBondContact O-CA 3.3Å; T1844-Q1847 WeakPolarHBondContact O-CB 3.35Å; T1844-Q1847 PolarHBondContact O-N 2.88Å; T1844-Q1847 WeakPolarHBondContact OG1-CG 3.39Å; T1844-Q1847 PolarHBondContact OG1-N 2.61Å; T1844-T1848 PolarHBondContact O-N 2.9Å; T1844-T1848 PolarHBondContact O-OG1 2.9Å | ||
| 1845 | R | 67.5 | Low | 73.6 | Confident | 204 Ų | 204 | 81 Ų | 81 | 77% | 0.77 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -49.2 | -43.7 | 176.1 | -74.4 | -172.4 | 179.9 | -179.3 | 1.3 | 112.4 | L1839 T1848 I1849 | L1839-R1845 HydrophobicContact CD2-CG 4.2Å; R1845-T1848 PolarHBondContact O-N 2.89Å; R1845-I1849 WeakPolarHBondContact O-CD1 3.27Å; R1845-I1849 VanDerWaalsContact O-CG1 3.23Å; R1845-I1849 WeakPolarHBondContact O-CG1 3.45Å; R1845-I1849 PolarHBondContact O-N 3.27Å |
| 1846 | W | 84.3 | Confident | 73.9 | Confident | 158 Ų | 158 | 81.6 Ų | 81.6 | 60% | 0.598 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -68 | -37.8 | 177.9 | -170 | -116.7 | 0 | 0 | 0 | 113.3 | T1844 I1849 Y1850 | T1844-W1846 PolarHBondContact O-N 3.03Å; T1844-W1846 VanDerWaalsContact O-N 3.14Å; W1846-I1849 HydrophobicContact CE3-CB 4.46Å; W1846-I1849 HydrophobicContact CE3-CD1 4.19Å; W1846-I1849 HydrophobicContact CE3-CG2 4.44Å; W1846-I1849 HydrophobicContact CZ3-CG2 4.27Å; W1846-I1849 PolarHBondContact O-N 2.82Å; W1846-Y1850 VanDerWaalsContact O-CB 3.31Å; W1846-Y1850 WeakPolarHBondContact O-CB 3.32Å; W1846-Y1850 PolarHBondContact O-N 2.84Å |
| 1847 | Q | 75.3 | Confident | 74.8 | Confident | 86 Ų | 86 | 76.1 Ų | 76.1 | 40% | 0.402 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 173.3 | -70.3 | 170 | -8.4 | 0 | 0 | 111.6 | T1844 K1851 | T1844-Q1847 WeakPolarHBondContact O-CA 3.3Å; T1844-Q1847 WeakPolarHBondContact O-CB 3.35Å; T1844-Q1847 PolarHBondContact O-N 2.88Å; T1844-Q1847 WeakPolarHBondContact OG1-CG 3.39Å; T1844-Q1847 PolarHBondContact OG1-N 2.61Å; Q1847-K1851 VanDerWaalsContact O-CB 3.25Å; Q1847-K1851 WeakPolarHBondContact O-CB 3.15Å; Q1847-K1851 PolarHBondContact O-N 2.89Å |
| 1848 | T | 77.5 | Confident | 76.3 | Confident | 5 Ų | 5 | 77.5 Ų | 77.5 | 3% | 0.031 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 174.1 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | R1835 S1838 T1844 R1845 V1852 V1853 | R1835-T1848 HydrophobicContact CB-CG2 4.11Å; R1835-T1848 HydrophobicContact CG-CG2 4.32Å; S1838-T1848 VanDerWaalsContact CB-OG1 3.31Å; S1838-T1848 WeakPolarHBondContact CB-OG1 3.3Å; S1838-T1848 WeakPolarHBondContact OG-CA 3.15Å; S1838-T1848 WeakPolarHBondContact OG-CB 3.49Å; S1838-T1848 PolarHBondContact OG-OG1 2.82Å; T1844-T1848 PolarHBondContact O-N 2.9Å; T1844-T1848 PolarHBondContact O-OG1 2.9Å; R1845-T1848 PolarHBondContact O-N 2.89Å; T1848-V1852 WeakPolarHBondContact O-CA 3.45Å; T1848-V1852 WeakPolarHBondContact O-CB 3.47Å; T1848-V1852 PolarHBondContact O-N 3.48Å; T1848-V1852 VanDerWaalsContact O-N 3.12Å; T1848-V1853 HydrophobicContact CG2-CG2 4.29Å; T1848-V1853 PolarHBondContact O-N 2.98Å |
| 1849 | I | 85.1 | Confident | 76.9 | Confident | 11 Ų | 11 | 80.7 Ų | 80.7 | 6% | 0.056 | 42% | 0.417 | C | S | . | . | I | π-helix | trans | -58.9 | -51.6 | 177.3 | -66.8 | 161.8 | 0 | 0 | 0 | 110.7 | V1752 E1756 R1845 W1846 V1853 L1854 | V1752-I1849 HydrophobicContact CG1-CG2 3.84Å; E1756-I1849 HydrophobicContact CB-CD1 3.66Å; E1756-I1849 HydrophobicContact CB-CG1 3.83Å; E1756-I1849 HydrophobicContact CG-CD1 4.37Å; E1756-I1849 HydrophobicContact CG-CG1 3.97Å; R1845-I1849 WeakPolarHBondContact O-CD1 3.27Å; R1845-I1849 VanDerWaalsContact O-CG1 3.23Å; R1845-I1849 WeakPolarHBondContact O-CG1 3.45Å; R1845-I1849 PolarHBondContact O-N 3.27Å; W1846-I1849 HydrophobicContact CE3-CB 4.46Å; W1846-I1849 HydrophobicContact CE3-CD1 4.19Å; W1846-I1849 HydrophobicContact CE3-CG2 4.44Å; W1846-I1849 HydrophobicContact CZ3-CG2 4.27Å; W1846-I1849 PolarHBondContact O-N 2.82Å; I1849-V1853 PolarHBondContact O-N 3.47Å; I1849-L1854 HydrophobicContact CG2-CD1 4.14Å; I1849-L1854 WeakPolarHBondContact O-CB 3.21Å; I1849-L1854 PolarHBondContact O-N 3.14Å |
| 1850 | Y | 82 | Confident | 77.8 | Confident | 152 Ų | 152 | 77.8 Ų | 77.8 | 60% | 0.596 | 41% | 0.406 | S | S | * | . | I | π-helix | trans | -75.9 | -47.8 | -173.3 | 178.1 | -110.2 | 0 | 0 | 0 | 114.1 | W1846 | W1846-Y1850 VanDerWaalsContact O-CB 3.31Å; W1846-Y1850 WeakPolarHBondContact O-CB 3.32Å; W1846-Y1850 PolarHBondContact O-N 2.84Å |
| 1851 | K | 80.7 | Confident | 79.6 | Confident | 128 Ų | 128 | 74.2 Ų | 74.2 | 56% | 0.557 | 38% | 0.375 | S | S | * | . | I | π-helix | trans | -85.7 | -22.1 | -173.5 | -62.1 | -172.4 | 175.5 | -178 | 0 | 113.9 | Q1847 R1855 | Q1847-K1851 VanDerWaalsContact O-CB 3.25Å; Q1847-K1851 WeakPolarHBondContact O-CB 3.15Å; Q1847-K1851 PolarHBondContact O-N 2.89Å; K1851-R1855 VanDerWaalsContact O-CB 3.31Å; K1851-R1855 WeakPolarHBondContact O-CB 3.48Å; K1851-R1855 WeakPolarHBondContact O-CD 3.45Å |
| 1852 | V | 82.5 | Confident | 80.7 | Confident | 35 Ų | 35 | 72 Ų | 72 | 21% | 0.212 | 36% | 0.363 | C | S | . | . | I | π-helix | trans | -119.1 | -62.5 | -173.3 | -170.4 | 0 | 0 | 0 | 0 | 111.8 | Y1834 T1848 R1855 A1856 | Y1834-V1852 HydrophobicContact CD1-CG1 4.02Å; Y1834-V1852 HydrophobicContact CG-CG1 4.45Å; T1848-V1852 WeakPolarHBondContact O-CA 3.45Å; T1848-V1852 WeakPolarHBondContact O-CB 3.47Å; T1848-V1852 PolarHBondContact O-N 3.48Å; T1848-V1852 VanDerWaalsContact O-N 3.12Å; V1852-R1855 PolarHBondContact O-N 2.81Å; V1852-A1856 WeakPolarHBondContact O-CB 3.22Å; V1852-A1856 PolarHBondContact O-N 3.35Å |
| 1853 | V | 88.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | I | π-helix | trans | -66 | -56.4 | -172.6 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | L1827 V1830 R1835 T1848 I1849 R1855 A1856 A1857 | L1827-V1853 HydrophobicContact CD2-CG1 3.88Å; V1830-V1853 HydrophobicContact CB-CG1 4.38Å; V1830-V1853 HydrophobicContact CG1-CG1 4.38Å; V1830-V1853 HydrophobicContact CG2-CG1 4.28Å; R1835-V1853 HydrophobicContact CG-CG2 3.66Å; T1848-V1853 HydrophobicContact CG2-CG2 4.29Å; T1848-V1853 PolarHBondContact O-N 2.98Å; I1849-V1853 PolarHBondContact O-N 3.47Å; V1853-R1855 PolarHBondContact O-N 2.64Å; V1853-A1856 PolarHBondContact O-N 2.82Å; V1853-A1857 WeakPolarHBondContact O-CB 3.37Å; V1853-A1857 PolarHBondContact O-N 2.89Å |
| 1854 | L | 88.9 | Confident | 82.5 | Confident | 32 Ų | 32 | 71.5 Ų | 71.5 | 17% | 0.168 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.9 | -36.2 | 176.7 | -82.8 | 166.7 | 0 | 0 | 0 | 111.7 | I1748 V1752 L1827 I1849 A1857 I1858 I1861 | I1748-L1854 HydrophobicContact CG2-CD2 3.69Å; V1752-L1854 HydrophobicContact CG2-CD1 4.22Å; V1752-L1854 HydrophobicContact CG2-CD2 3.89Å; V1752-L1854 HydrophobicContact CG2-CG 4.23Å; L1827-L1854 HydrophobicContact CD2-CD2 4.11Å; I1849-L1854 HydrophobicContact CG2-CD1 4.14Å; I1849-L1854 WeakPolarHBondContact O-CB 3.21Å; I1849-L1854 PolarHBondContact O-N 3.14Å; L1854-A1857 PolarHBondContact O-N 3.03Å; L1854-I1858 WeakPolarHBondContact O-CG1 3.46Å; L1854-I1858 PolarHBondContact O-N 3.35Å; L1854-I1861 HydrophobicContact CD2-CD1 4.01Å |
| 1855 | R | 85 | Confident | 82.8 | Confident | 182 Ų | 182 | 69.2 Ų | 69.2 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -69.9 | -35.4 | -178.5 | -160.4 | 174.7 | -170.2 | 175.8 | 3.4 | 112.9 | K1851 V1852 V1853 I1858 | K1851-R1855 VanDerWaalsContact O-CB 3.31Å; K1851-R1855 WeakPolarHBondContact O-CB 3.48Å; K1851-R1855 WeakPolarHBondContact O-CD 3.45Å; V1852-R1855 PolarHBondContact O-N 2.81Å; V1853-R1855 PolarHBondContact O-N 2.64Å; R1855-I1858 HydrophobicContact CG-CD1 4.25Å |
| 1856 | A | 81.5 | Confident | 83.4 | Confident | 51 Ų | 51 | 64 Ų | 64 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.3 | -33.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1830 V1852 V1853 I1858 P1859 | V1830-A1856 HydrophobicContact CG1-CB 4.16Å; V1830-A1856 HydrophobicContact CG2-CB 4.21Å; V1852-A1856 WeakPolarHBondContact O-CB 3.22Å; V1852-A1856 PolarHBondContact O-N 3.35Å; V1853-A1856 PolarHBondContact O-N 2.82Å; A1856-I1858 PolarHBondContact O-N 3.46Å; A1856-P1859 WeakPolarHBondContact O-CD 3.48Å |
| 1857 | A | 91.1 | Very high | 82.9 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -75.1 | -14.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1826 L1827 V1830 V1853 L1854 P1859 G1860 I1861 | T1826-A1857 HydrophobicContact CG2-CB 3.8Å; T1826-A1857 WeakPolarHBondContact CG2-O 3.3Å; L1827-A1857 HydrophobicContact CD2-CB 3.85Å; V1830-A1857 HydrophobicContact CG2-CB 4.26Å; V1853-A1857 WeakPolarHBondContact O-CB 3.37Å; V1853-A1857 PolarHBondContact O-N 2.89Å; L1854-A1857 PolarHBondContact O-N 3.03Å; A1857-P1859 VanDerWaalsContact C-CD 3.44Å; A1857-P1859 VanDerWaalsContact O-N 3.12Å; A1857-G1860 PolarHBondContact O-N 3.21Å; A1857-I1861 HydrophobicContact CB-CD1 3.76Å; A1857-I1861 HydrophobicContact CB-CG1 4.2Å; A1857-I1861 WeakPolarHBondContact O-CG1 3.33Å; A1857-I1861 PolarHBondContact O-N 3.11Å |
| 1858 | I | 91.5 | Very high | 83.1 | Confident | 82 Ų | 82 | 58.2 Ų | 58.2 | 42% | 0.421 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -45.4 | -46.9 | -173.6 | -64.9 | 177.9 | 0 | 0 | 0 | 114 | L1854 R1855 A1856 G1860 I1861 L1862 | L1854-I1858 WeakPolarHBondContact O-CG1 3.46Å; L1854-I1858 PolarHBondContact O-N 3.35Å; R1855-I1858 HydrophobicContact CG-CD1 4.25Å; A1856-I1858 PolarHBondContact O-N 3.46Å; I1858-G1860 PolarHBondContact O-N 3.41Å; I1858-I1861 PolarHBondContact O-N 3.47Å; I1858-L1862 HydrophobicContact CG2-CD1 3.83Å; I1858-L1862 HydrophobicContact CG2-CG 4.22Å; I1858-L1862 WeakPolarHBondContact O-CG 3.43Å; I1858-L1862 PolarHBondContact O-N 2.95Å |
| 1859 | P | 81.4 | Confident | 83.2 | Confident | 87 Ų | 87 | 60.1 Ų | 60.1 | 57% | 0.565 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.6 | -39.1 | -177.9 | -22.9 | 35.3 | 0 | 0 | 0 | 113.7 | A1856 A1857 T1863 | A1856-P1859 WeakPolarHBondContact O-CD 3.48Å; A1857-P1859 VanDerWaalsContact C-CD 3.44Å; A1857-P1859 VanDerWaalsContact O-N 3.12Å; P1859-T1863 PolarHBondContact O-N 3.22Å; P1859-T1863 VanDerWaalsContact O-N 3.13Å; P1859-T1863 PolarHBondContact O-OG1 3.49Å; P1859-T1863 VanDerWaalsContact O-OG1 3.07Å |
| 1860 | G | 79.7 | Confident | 82.6 | Confident | 20 Ų | 20 | 62.6 Ų | 62.6 | 21% | 0.206 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -73.9 | -33.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1857 I1858 T1863 A1864 | A1857-G1860 PolarHBondContact O-N 3.21Å; I1858-G1860 PolarHBondContact O-N 3.41Å; G1860-T1863 WeakPolarHBondContact O-CB 3.38Å; G1860-T1863 PolarHBondContact O-N 3.45Å; G1860-A1864 PolarHBondContact O-N 3.03Å |
| 1861 | I | 89.4 | Confident | 81.9 | Confident | 14 Ų | 14 | 60 Ų | 60 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 172.6 | -64.6 | 173.3 | 0 | 0 | 0 | 110.6 | I1748 T1823 T1826 L1854 A1857 I1858 T1863 A1864 V1865 | I1748-I1861 HydrophobicContact CD1-CG2 3.77Å; I1748-I1861 HydrophobicContact CG1-CG2 4.07Å; T1823-I1861 HydrophobicContact CG2-CD1 4.28Å; T1823-I1861 HydrophobicContact CG2-CG1 3.99Å; T1826-I1861 HydrophobicContact CG2-CG1 4.49Å; L1854-I1861 HydrophobicContact CD2-CD1 4.01Å; A1857-I1861 HydrophobicContact CB-CD1 3.76Å; A1857-I1861 HydrophobicContact CB-CG1 4.2Å; A1857-I1861 WeakPolarHBondContact O-CG1 3.33Å; A1857-I1861 PolarHBondContact O-N 3.11Å; I1858-I1861 PolarHBondContact O-N 3.47Å; I1861-T1863 VanDerWaalsContact C-N 3.32Å; I1861-T1863 PolarHBondContact O-N 3.47Å; I1861-A1864 WeakPolarHBondContact O-CB 3.25Å; I1861-A1864 PolarHBondContact O-N 3.07Å; I1861-V1865 WeakPolarHBondContact O-CG2 3.26Å; I1861-V1865 PolarHBondContact O-N 3.29Å |
| 1862 | L | 82.6 | Confident | 81.3 | Confident | 109 Ų | 109 | 53.9 Ų | 53.9 | 57% | 0.571 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.3 | -42.5 | 174.4 | -72.5 | 169.7 | 0 | 0 | 0 | 111.5 | I1858 V1865 V1866 | I1858-L1862 HydrophobicContact CG2-CD1 3.83Å; I1858-L1862 HydrophobicContact CG2-CG 4.22Å; I1858-L1862 WeakPolarHBondContact O-CG 3.43Å; I1858-L1862 PolarHBondContact O-N 2.95Å; L1862-V1865 PolarHBondContact O-N 3.34Å; L1862-V1866 WeakPolarHBondContact O-CG2 3.45Å; L1862-V1866 PolarHBondContact O-N 2.85Å |
| 1863 | T | 73.6 | Confident | 80.6 | Confident | 69 Ų | 69 | 55.7 Ų | 55.7 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.9 | -47 | 172.5 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | M1822 P1859 G1860 I1861 V1865 V1866 F1867 | M1822-T1863 HydrophobicContact CE-CG2 4.26Å; P1859-T1863 PolarHBondContact O-N 3.22Å; P1859-T1863 VanDerWaalsContact O-N 3.13Å; P1859-T1863 PolarHBondContact O-OG1 3.49Å; P1859-T1863 VanDerWaalsContact O-OG1 3.07Å; G1860-T1863 WeakPolarHBondContact O-CB 3.38Å; G1860-T1863 PolarHBondContact O-N 3.45Å; I1861-T1863 VanDerWaalsContact C-N 3.32Å; I1861-T1863 PolarHBondContact O-N 3.47Å; T1863-V1865 VanDerWaalsContact C-N 3.31Å; T1863-V1865 PolarHBondContact O-N 3.2Å; T1863-V1866 PolarHBondContact O-N 3.16Å; T1863-V1866 VanDerWaalsContact O-N 3.17Å; T1863-F1867 HydrophobicContact CG2-CD2 3.76Å; T1863-F1867 HydrophobicContact CG2-CE2 3.8Å; T1863-F1867 WeakPolarHBondContact O-CD2 3.48Å; T1863-F1867 PolarHBondContact O-N 2.97Å |
| 1864 | A | 84.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.9 | -42.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1819 M1822 G1860 I1861 F1867 G1868 | V1819-A1864 HydrophobicContact CG1-CB 4.19Å; M1822-A1864 HydrophobicContact CB-CB 3.52Å; G1860-A1864 PolarHBondContact O-N 3.03Å; I1861-A1864 WeakPolarHBondContact O-CB 3.25Å; I1861-A1864 PolarHBondContact O-N 3.07Å; A1864-F1867 PolarHBondContact O-N 3.33Å; A1864-G1868 PolarHBondContact O-N 3.28Å |
| 1865 | V | 86 | Confident | 78.3 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 16% | 0.158 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 176.2 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | A1740 T1744 V1819 I1861 L1862 T1863 G1868 M1869 | A1740-V1865 HydrophobicContact CB-CG1 4.32Å; T1744-V1865 HydrophobicContact CG2-CG2 3.58Å; T1744-V1865 VanDerWaalsContact OG1-CG2 3.32Å; T1744-V1865 WeakPolarHBondContact OG1-CG2 3.41Å; V1819-V1865 HydrophobicContact CG1-CG2 3.97Å; I1861-V1865 WeakPolarHBondContact O-CG2 3.26Å; I1861-V1865 PolarHBondContact O-N 3.29Å; L1862-V1865 PolarHBondContact O-N 3.34Å; T1863-V1865 VanDerWaalsContact C-N 3.31Å; T1863-V1865 PolarHBondContact O-N 3.2Å; V1865-G1868 PolarHBondContact O-N 2.85Å; V1865-M1869 HydrophobicContact CG1-SD 4.29Å; V1865-M1869 WeakPolarHBondContact O-CG 3.2Å; V1865-M1869 PolarHBondContact O-N 2.95Å |
| 1866 | V | 79.5 | Confident | 77.1 | Confident | 93 Ų | 93 | 50 Ų | 50 | 56% | 0.564 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.1 | -43.2 | 177 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | L1862 T1863 M1869 A1870 | L1862-V1866 WeakPolarHBondContact O-CG2 3.45Å; L1862-V1866 PolarHBondContact O-N 2.85Å; T1863-V1866 PolarHBondContact O-N 3.16Å; T1863-V1866 VanDerWaalsContact O-N 3.17Å; V1866-M1869 PolarHBondContact O-N 3.1Å; V1866-A1870 WeakPolarHBondContact O-CB 3.33Å; V1866-A1870 PolarHBondContact O-N 3.3Å |
| 1867 | F | 74.7 | Confident | 76.3 | Confident | 123 Ų | 123 | 51.4 Ų | 51.4 | 54% | 0.539 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 174.6 | -89 | -91.3 | 0 | 0 | 0 | 112.4 | M1822 T1863 A1864 A1870 R1871 | M1822-F1867 HydrophobicContact CE-CB 4.26Å; M1822-F1867 HydrophobicContact CE-CD2 3.88Å; M1822-F1867 HydrophobicContact CE-CE2 4.43Å; M1822-F1867 HydrophobicContact CE-CG 4.05Å; M1822-F1867 HydrophobicContact SD-CB 3.77Å; M1822-F1867 HydrophobicContact SD-CG 4.13Å; T1863-F1867 HydrophobicContact CG2-CD2 3.76Å; T1863-F1867 HydrophobicContact CG2-CE2 3.8Å; T1863-F1867 WeakPolarHBondContact O-CD2 3.48Å; T1863-F1867 PolarHBondContact O-N 2.97Å; A1864-F1867 PolarHBondContact O-N 3.33Å; F1867-A1870 PolarHBondContact O-N 3.32Å; F1867-R1871 PolarHBondContact O-N 2.96Å |
| 1868 | G | 80 | Confident | 75.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1864 V1865 R1871 A1872 | A1864-G1868 PolarHBondContact O-N 3.28Å; V1865-G1868 PolarHBondContact O-N 2.85Å; G1868-R1871 PolarHBondContact O-N 2.89Å; G1868-A1872 PolarHBondContact O-N 2.83Å; G1868-A1872 VanDerWaalsContact O-N 3.12Å |
| 1869 | M | 78.4 | Confident | 74.7 | Confident | 45 Ų | 45 | 47.5 Ų | 47.5 | 22% | 0.222 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -45 | 174.4 | -75.3 | -178.7 | 68.7 | 0 | 0 | 112.2 | T1736 F1737 A1740 V1865 V1866 R1871 A1872 F1873 | T1736-M1869 HydrophobicContact CG2-CB 4.14Å; T1736-M1869 HydrophobicContact CG2-CE 4.45Å; T1736-M1869 HydrophobicContact CG2-CG 4.27Å; F1737-M1869 HydrophobicContact CB-CE 4.46Å; F1737-M1869 HydrophobicContact CD2-CE 4.16Å; A1740-M1869 HydrophobicContact CB-CG 3.45Å; A1740-M1869 VanDerWaalsContact CB-CG 3.45Å; A1740-M1869 HydrophobicContact CB-SD 3.83Å; V1865-M1869 HydrophobicContact CG1-SD 4.29Å; V1865-M1869 WeakPolarHBondContact O-CG 3.2Å; V1865-M1869 PolarHBondContact O-N 2.95Å; V1866-M1869 PolarHBondContact O-N 3.1Å; M1869-R1871 VanDerWaalsContact C-N 3.34Å; M1869-R1871 PolarHBondContact O-N 2.92Å; M1869-A1872 PolarHBondContact O-N 3.08Å; M1869-F1873 WeakPolarHBondContact O-CB 3.44Å; M1869-F1873 PolarHBondContact O-N 2.92Å |
| 1870 | A | 71.8 | Confident | 74.4 | Confident | 64 Ų | 64 | 45.4 Ų | 45.4 | 53% | 0.529 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1866 F1867 | V1866-A1870 WeakPolarHBondContact O-CB 3.33Å; V1866-A1870 PolarHBondContact O-N 3.3Å; F1867-A1870 PolarHBondContact O-N 3.32Å |
| 1871 | R | 69 | Low | 74 | Confident | 96 Ų | 96 | 47.2 Ų | 47.2 | 36% | 0.362 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.1 | -54.1 | 171.8 | -175.4 | 177.6 | -177.7 | 160.3 | 2.9 | 110.6 | T1818 F1867 G1868 M1869 F1873 G1874 E1875 | T1818-R1871 WeakPolarHBondContact OG1-CD 3.31Å; T1818-R1871 PolarHBondContact OG1-NH1 2.93Å; T1818-R1871 VanDerWaalsContact OG1-NH1 3.11Å; F1867-R1871 PolarHBondContact O-N 2.96Å; G1868-R1871 PolarHBondContact O-N 2.89Å; M1869-R1871 VanDerWaalsContact C-N 3.34Å; M1869-R1871 PolarHBondContact O-N 2.92Å; R1871-F1873 VanDerWaalsContact C-N 3.34Å; R1871-F1873 PolarHBondContact O-N 3.03Å; R1871-G1874 PolarHBondContact O-N 3.2Å; R1871-E1875 WeakPolarHBondContact O-CG 3.1Å |
| 1872 | A | 68.4 | Low | 73.8 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -32.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1736 L1811 I1815 G1868 M1869 G1874 E1875 | T1736-A1872 HydrophobicContact CG2-CB 4.01Å; L1811-A1872 HydrophobicContact CD1-CB 4.02Å; L1811-A1872 HydrophobicContact CD2-CB 3.81Å; L1811-A1872 HydrophobicContact CG-CB 4.37Å; I1815-A1872 HydrophobicContact CD1-CB 3.61Å; I1815-A1872 HydrophobicContact CG1-CB 3.52Å; G1868-A1872 PolarHBondContact O-N 2.83Å; G1868-A1872 VanDerWaalsContact O-N 3.12Å; M1869-A1872 PolarHBondContact O-N 3.08Å; A1872-G1874 PolarHBondContact O-N 3.01Å; A1872-E1875 PolarHBondContact O-N 2.82Å; A1872-E1875 VanDerWaalsContact O-N 3.14Å |
| 1873 | F | 66.4 | Low | 73.9 | Confident | 73 Ų | 73 | 41.4 Ų | 41.4 | 32% | 0.32 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.8 | -25.8 | 179.5 | -148.6 | -87 | 0 | 0 | 0 | 112.6 | F1733 T1736 M1869 R1871 T1901 | F1733-F1873 HydrophobicContact CD2-CE2 4.38Å; F1733-F1873 HydrophobicContact CE2-CE2 4.48Å; T1736-F1873 HydrophobicContact CG2-CD2 4.19Å; M1869-F1873 WeakPolarHBondContact O-CB 3.44Å; M1869-F1873 PolarHBondContact O-N 2.92Å; R1871-F1873 VanDerWaalsContact C-N 3.34Å; R1871-F1873 PolarHBondContact O-N 3.03Å; F1873-T1901 WeakPolarHBondContact O-CG2 3.46Å; F1873-T1901 PolarHBondContact O-OG1 3.04Å |
| 1874 | G | 63.3 | Low | 74 | Confident | 51 Ų | 51 | 39.8 Ų | 39.8 | 53% | 0.526 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -11.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | R1871 A1872 A1876 | R1871-G1874 PolarHBondContact O-N 3.2Å; A1872-G1874 PolarHBondContact O-N 3.01Å; G1874-A1876 VanDerWaalsContact C-N 3.31Å; G1874-A1876 PolarHBondContact O-N 3.44Å |
| 1875 | E | 66.1 | Low | 73.4 | Confident | 33 Ų | 33 | 41.2 Ų | 41.2 | 15% | 0.154 | 23% | 0.234 | C | C | . | . | trans | -83.8 | 63.9 | -167 | -69.1 | -77.9 | -162.6 | 0 | 0 | 113.3 | S1778 L1811 M1814 R1871 A1872 L1877 I1879 | S1778-E1875 WeakPolarHBondContact CB-OE2 3.11Å; S1778-E1875 PolarHBondContact OG-OE1 3.41Å; S1778-E1875 PolarHBondContact OG-OE2 3.27Å; L1811-E1875 HydrophobicContact CD2-CB 4.04Å; M1814-E1875 HydrophobicContact CE-CB 4.12Å; M1814-E1875 HydrophobicContact CE-CG 3.69Å; M1814-E1875 VanDerWaalsContact CE-OE1 3.3Å; M1814-E1875 WeakPolarHBondContact CE-OE1 3.34Å; R1871-E1875 WeakPolarHBondContact O-CG 3.1Å; A1872-E1875 PolarHBondContact O-N 2.82Å; A1872-E1875 VanDerWaalsContact O-N 3.14Å; E1875-L1877 PolarHBondContact O-N 3.31Å; E1875-I1879 WeakPolarHBondContact O-CD1 3.47Å; E1875-I1879 WeakPolarHBondContact O-CG1 3.5Å | ||
| 1876 | A | 60.5 | Low | 72.8 | Confident | 9 Ų | 9 | 41.3 Ų | 41.3 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.9 | -52.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | G1874 A1878 I1879 Q1880 T1901 T1905 | G1874-A1876 VanDerWaalsContact C-N 3.31Å; G1874-A1876 PolarHBondContact O-N 3.44Å; A1876-A1878 VanDerWaalsContact C-N 3.34Å; A1876-A1878 PolarHBondContact O-N 2.95Å; A1876-I1879 PolarHBondContact O-N 2.84Å; A1876-Q1880 WeakPolarHBondContact O-CB 3.41Å; A1876-Q1880 PolarHBondContact O-N 3Å; A1876-T1901 HydrophobicContact CB-CG2 4.01Å; A1876-T1901 WeakPolarHBondContact CB-O 3.17Å; A1876-T1905 HydrophobicContact CB-CG2 4.16Å; A1876-T1905 WeakPolarHBondContact CB-OG1 3.35Å |
| 1877 | L | 63.3 | Low | 72.5 | Confident | 82 Ų | 82 | 37.7 Ų | 37.7 | 43% | 0.429 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.2 | -39.3 | -171.1 | -86.2 | 164.3 | 0 | 0 | 0 | 113.6 | V1779 E1875 | V1779-L1877 HydrophobicContact CG2-CB 4.33Å; V1779-L1877 HydrophobicContact CG2-CD1 3.96Å; E1875-L1877 PolarHBondContact O-N 3.31Å |
| 1878 | A | 72.7 | Confident | 72.6 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66 | -47.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1778 G1782 V1810 M1814 A1876 | S1778-A1878 VanDerWaalsContact O-CB 3.31Å; S1778-A1878 WeakPolarHBondContact O-CB 3.17Å; G1782-A1878 WeakPolarHBondContact CA-O 3.49Å; V1810-A1878 HydrophobicContact CG1-CB 4Å; M1814-A1878 HydrophobicContact CE-CB 4.36Å; M1814-A1878 HydrophobicContact SD-CB 3.67Å; A1876-A1878 VanDerWaalsContact C-N 3.34Å; A1876-A1878 PolarHBondContact O-N 2.95Å |
| 1879 | I | 78.1 | Confident | 72.7 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.2 | -41.7 | -178 | -52.7 | 162.2 | 0 | 0 | 0 | 110.8 | L1811 E1875 A1876 M1881 V1882 I1883 T1899 | L1811-I1879 HydrophobicContact CD1-CD1 3.63Å; L1811-I1879 HydrophobicContact CD1-CG1 3.87Å; L1811-I1879 HydrophobicContact CD2-CD1 4.15Å; L1811-I1879 HydrophobicContact CD2-CG1 3.98Å; L1811-I1879 HydrophobicContact CG-CD1 4.09Å; L1811-I1879 HydrophobicContact CG-CG1 3.8Å; E1875-I1879 WeakPolarHBondContact O-CD1 3.47Å; E1875-I1879 WeakPolarHBondContact O-CG1 3.5Å; A1876-I1879 PolarHBondContact O-N 2.84Å; I1879-M1881 PolarHBondContact O-N 3.22Å; I1879-V1882 WeakPolarHBondContact O-CG2 3.37Å; I1879-V1882 PolarHBondContact O-N 3.11Å; I1879-I1883 HydrophobicContact CG2-CB 3.92Å; I1879-I1883 HydrophobicContact CG2-CD1 4.06Å; I1879-I1883 HydrophobicContact CG2-CG2 3.98Å; I1879-I1883 WeakPolarHBondContact O-CB 3.49Å; I1879-I1883 WeakPolarHBondContact O-CG2 3.15Å; I1879-I1883 PolarHBondContact O-N 3.05Å; I1879-T1899 HydrophobicContact CD1-CG2 4.37Å; I1879-T1899 HydrophobicContact CG2-CG2 3.73Å |
| 1880 | Q | 73.2 | Confident | 72.5 | Confident | 44 Ų | 44 | 39.9 Ų | 39.9 | 21% | 0.206 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.5 | -33.4 | -178 | -174.8 | -179.5 | -4.2 | 0 | 0 | 112.2 | A1876 V1882 N1885 M1906 | A1876-Q1880 WeakPolarHBondContact O-CB 3.41Å; A1876-Q1880 PolarHBondContact O-N 3Å; Q1880-V1882 VanDerWaalsContact C-N 3.32Å; Q1880-V1882 PolarHBondContact O-N 2.59Å; Q1880-N1885 PolarHBondContact O-ND2 3.04Å; Q1880-M1906 HydrophobicContact CG-CE 4.09Å |
| 1881 | M | 73.2 | Confident | 73 | Confident | 58 Ų | 58 | 42.9 Ų | 42.9 | 29% | 0.286 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.9 | -18.6 | 177.1 | -70.3 | -173.8 | 176.3 | 0 | 0 | 114.5 | V1779 F1802 I1879 | V1779-M1881 HydrophobicContact CG1-CE 4.24Å; F1802-M1881 WeakPolarHBondContact CE1-O 3.39Å; I1879-M1881 PolarHBondContact O-N 3.22Å |
| 1882 | V | 83.7 | Confident | 73.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -125.4 | -19.7 | -171.3 | -65.8 | 0 | 0 | 0 | 0 | 116 | G1785 V1790 F1802 G1803 V1810 I1879 Q1880 | G1785-V1882 VanDerWaalsContact CA-CG1 3.43Å; V1790-V1882 HydrophobicContact CG2-CB 3.84Å; V1790-V1882 HydrophobicContact CG2-CG1 3.77Å; F1802-V1882 VanDerWaalsContact CA-O 3.27Å; F1802-V1882 WeakPolarHBondContact CA-O 3.49Å; G1803-V1882 PolarHBondContact N-O 2.87Å; G1803-V1882 VanDerWaalsContact N-O 3.15Å; V1810-V1882 HydrophobicContact CB-CG2 4.37Å; V1810-V1882 HydrophobicContact CG2-CG1 4.01Å; V1810-V1882 HydrophobicContact CG2-CG2 3.98Å; I1879-V1882 WeakPolarHBondContact O-CG2 3.37Å; I1879-V1882 PolarHBondContact O-N 3.11Å; Q1880-V1882 VanDerWaalsContact C-N 3.32Å; Q1880-V1882 PolarHBondContact O-N 2.59Å |
| 1883 | I | 85.1 | Confident | 74.4 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -82 | -20.1 | -177.8 | -156.5 | 177.8 | 0 | 0 | 0 | 113 | V1735 G1803 I1879 N1885 P1896 A1897 T1899 | V1735-I1883 HydrophobicContact CG2-CD1 3.8Å; G1803-I1883 PolarHBondContact N-O 2.58Å; I1879-I1883 HydrophobicContact CG2-CB 3.92Å; I1879-I1883 HydrophobicContact CG2-CD1 4.06Å; I1879-I1883 HydrophobicContact CG2-CG2 3.98Å; I1879-I1883 WeakPolarHBondContact O-CB 3.49Å; I1879-I1883 WeakPolarHBondContact O-CG2 3.15Å; I1879-I1883 PolarHBondContact O-N 3.05Å; I1883-N1885 VanDerWaalsContact C-N 3.32Å; I1883-N1885 WeakPolarHBondContact CG2-OD1 3.44Å; I1883-N1885 PolarHBondContact O-N 2.85Å; I1883-P1896 WeakPolarHBondContact O-CA 3.3Å; I1883-A1897 CarbonylContact C-O 3.49Å; I1883-A1897 HydrophobicContact CD1-CB 4.02Å; I1883-A1897 HydrophobicContact CG1-CB 3.97Å; I1883-A1897 WeakPolarHBondContact CG2-O 3.34Å; I1883-A1897 PolarHBondContact O-N 2.95Å; I1883-A1897 VanDerWaalsContact O-O 3.09Å; I1883-T1899 HydrophobicContact CD1-CG2 3.69Å |
| 1884 | G | 76 | Confident | 75.3 | Confident | 36 Ų | 36 | 42.6 Ų | 42.6 | 37% | 0.371 | 26% | 0.261 | S | S | . | . | B | Isolated β-bridge | trans | 89.3 | -18.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | A1886 | G1884-A1886 VanDerWaalsContact C-N 3.34Å; G1884-A1886 PolarHBondContact O-N 3.23Å |
| 1885 | N | 72.1 | Confident | 76.1 | Confident | 29 Ų | 29 | 42.1 Ų | 42.1 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | trans | 60.9 | 30.6 | 175.3 | -47.3 | -71.5 | 0 | 0 | 0 | 115.5 | Q1880 I1883 A1897 S1902 M1906 | Q1880-N1885 PolarHBondContact O-ND2 3.04Å; I1883-N1885 VanDerWaalsContact C-N 3.32Å; I1883-N1885 WeakPolarHBondContact CG2-OD1 3.44Å; I1883-N1885 PolarHBondContact O-N 2.85Å; N1885-A1897 CarbonylContact C-O 3.19Å; N1885-A1897 WeakPolarHBondContact CA-O 3.43Å; N1885-A1897 PolarHBondContact N-O 2.86Å; N1885-S1902 VanDerWaalsContact OD1-CB 3.28Å; N1885-S1902 WeakPolarHBondContact OD1-CB 3.26Å; N1885-S1902 PolarHBondContact OD1-OG 3Å; N1885-M1906 HydrophobicContact CB-CE 3.78Å; N1885-M1906 HydrophobicContact CB-SD 4.32Å | ||
| 1886 | A | 73.7 | Confident | 76.9 | Confident | 28 Ų | 28 | 42.5 Ų | 42.5 | 23% | 0.231 | 25% | 0.253 | C | S | . | . | trans | -76.2 | 123.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | G1884 L1888 P1896 A1897 S1898 | G1884-A1886 VanDerWaalsContact C-N 3.34Å; G1884-A1886 PolarHBondContact O-N 3.23Å; A1886-L1888 PolarHBondContact O-N 3.13Å; A1886-L1888 VanDerWaalsContact O-N 3.1Å; A1886-P1896 HydrophobicContact CB-CB 3.82Å; A1886-A1897 PolarHBondContact N-O 3.49Å; A1886-A1897 CarbonylContact O-C 3.54Å; A1886-A1897 WeakPolarHBondContact O-CA 3.46Å; A1886-S1898 WeakPolarHBondContact O-CB 3.37Å; A1886-S1898 PolarHBondContact O-N 2.96Å; A1886-S1898 VanDerWaalsContact O-N 3.13Å; A1886-S1898 PolarHBondContact O-OG 3.44Å | ||
| 1887 | A | 72.8 | Confident | 77.9 | Confident | 18 Ų | 18 | 42.1 Ų | 42.1 | 15% | 0.149 | 25% | 0.25 | C | S | . | . | trans | -87.1 | 45 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W1710 S1898 | W1710-A1887 HydrophobicContact CB-CB 3.72Å; W1710-A1887 HydrophobicContact CG-CB 4.05Å; A1887-S1898 WeakPolarHBondContact CA-OG 3.36Å | ||
| 1888 | L | 78 | Confident | 78.7 | Confident | 112 Ų | 112 | 38.2 Ų | 38.2 | 59% | 0.586 | 23% | 0.23 | S | C | * | . | B | Isolated β-bridge | trans | -113.9 | 150.5 | 179.9 | -63.2 | 172.8 | 0 | 0 | 0 | 109.5 | A1886 P1890 | A1886-L1888 PolarHBondContact O-N 3.13Å; A1886-L1888 VanDerWaalsContact O-N 3.1Å; L1888-P1890 WeakPolarHBondContact O-CD 3.3Å |
| 1889 | M | 80.2 | Confident | 79.1 | Confident | 71 Ų | 71 | 38.3 Ų | 38.3 | 35% | 0.35 | 23% | 0.23 | S | C | . | . | trans | -55.7 | 120.6 | 173.9 | -81.4 | -65.3 | -68.8 | 0 | 0 | 110.9 | T1708 L1726 P1727 L1730 T1891 | T1708-M1889 HydrophobicContact CG2-CG 3.65Å; T1708-M1889 HydrophobicContact CG2-SD 4.1Å; L1726-M1889 HydrophobicContact CD2-CE 4.46Å; L1726-M1889 HydrophobicContact CD2-SD 4.16Å; L1726-M1889 HydrophobicContact CG-SD 4.19Å; P1727-M1889 HydrophobicContact CB-SD 4.43Å; P1727-M1889 HydrophobicContact CG-CG 4.1Å; P1727-M1889 HydrophobicContact CG-SD 4.01Å; L1730-M1889 HydrophobicContact CD1-CE 3.64Å; L1730-M1889 HydrophobicContact CD1-SD 3.94Å; M1889-T1891 PolarHBondContact O-N 3.03Å | ||
| 1890 | P | 75.5 | Confident | 78.9 | Confident | 31 Ų | 31 | 41 Ų | 41 | 20% | 0.201 | 24% | 0.244 | C | C | . | . | trans | -70.8 | 116.8 | -178 | 27.3 | -33.3 | 0 | 0 | 0 | 110.4 | I1804 L1888 A1897 | I1804-P1890 HydrophobicContact CD1-CB 3.68Å; I1804-P1890 HydrophobicContact CD1-CG 3.85Å; L1888-P1890 WeakPolarHBondContact O-CD 3.3Å; P1890-A1897 HydrophobicContact CB-CB 4.2Å | ||
| 1891 | T | 81.4 | Confident | 78.6 | Confident | 127 Ų | 127 | 40.1 Ų | 40.1 | 78% | 0.779 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -89 | -15.6 | 179.7 | 56.5 | 0 | 0 | 0 | 0 | 113.1 | M1889 T1895 | M1889-T1891 PolarHBondContact O-N 3.03Å; T1891-T1895 PolarHBondContact N-OG1 3.28Å |
| 1892 | S | 83 | Confident | 78.4 | Confident | 50 Ų | 50 | 37.4 Ų | 37.4 | 35% | 0.35 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -145.8 | 175.4 | 169.2 | 88.3 | 0 | 0 | 0 | 0 | 111.5 | T1894 T1895 | S1892-T1894 PolarHBondContact O-N 3.34Å; S1892-T1894 PolarHBondContact OG-N 2.82Å; S1892-T1894 PolarHBondContact OG-OG1 3.14Å; S1892-T1895 PolarHBondContact N-OG1 2.85Å; S1892-T1895 VanDerWaalsContact N-OG1 3.12Å; S1892-T1895 PolarHBondContact O-OG1 2.84Å; S1892-T1895 PolarHBondContact OG-N 2.97Å; S1892-T1895 VanDerWaalsContact OG-N 3.08Å |
| 1893 | L | 84.5 | Confident | 77.7 | Confident | 86 Ų | 86 | 39 Ų | 39 | 45% | 0.45 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -71.2 | -16.6 | 171.9 | -59.9 | 176.8 | 0 | 0 | 0 | 112.9 | L1738 I1804 L1805 | L1738-L1893 HydrophobicContact CD1-CD2 3.99Å; I1804-L1893 HydrophobicContact CB-CD2 4.39Å; I1804-L1893 HydrophobicContact CG2-CD2 3.91Å; I1804-L1893 PolarHBondContact N-O 2.91Å; I1804-L1893 VanDerWaalsContact N-O 3.09Å; L1805-L1893 HydrophobicContact CB-CB 4.1Å; L1805-L1893 WeakPolarHBondContact CB-O 3.13Å; L1805-L1893 PolarHBondContact N-O 3.29Å |
| 1894 | T | 84.4 | Confident | 76.7 | Confident | 28 Ų | 28 | 43.3 Ų | 43.3 | 17% | 0.172 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -112.3 | 1 | -175.2 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | I1793 F1797 L1805 S1892 | I1793-T1894 HydrophobicContact CG2-CG2 3.8Å; F1797-T1894 HydrophobicContact CB-CG2 3.79Å; F1797-T1894 HydrophobicContact CD2-CG2 4.41Å; F1797-T1894 HydrophobicContact CG-CG2 4.08Å; L1805-T1894 HydrophobicContact CB-CG2 4.34Å; L1805-T1894 HydrophobicContact CD2-CG2 3.8Å; S1892-T1894 PolarHBondContact O-N 3.34Å; S1892-T1894 PolarHBondContact OG-N 2.82Å; S1892-T1894 PolarHBondContact OG-OG1 3.14Å |
| 1895 | T | 80.7 | Confident | 75.8 | Confident | 40 Ų | 40 | 44 Ų | 44 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -76 | 143.1 | 163.5 | 44.7 | 0 | 0 | 0 | 0 | 111 | F1802 G1803 T1891 S1892 A1897 | F1802-T1895 CarbonylContact O-C 3.57Å; F1802-T1895 VanDerWaalsContact O-C 3.3Å; G1803-T1895 WeakPolarHBondContact CA-O 3.19Å; T1891-T1895 PolarHBondContact N-OG1 3.28Å; S1892-T1895 PolarHBondContact N-OG1 2.85Å; S1892-T1895 VanDerWaalsContact N-OG1 3.12Å; S1892-T1895 PolarHBondContact O-OG1 2.84Å; S1892-T1895 PolarHBondContact OG-N 2.97Å; S1892-T1895 VanDerWaalsContact OG-N 3.08Å; T1895-A1897 PolarHBondContact O-N 2.98Å |
| 1896 | P | 82.1 | Confident | 75.4 | Confident | 42 Ų | 42 | 45.9 Ų | 45.9 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | trans | -52.5 | 138 | 170.2 | -28.7 | 36.4 | 0 | 0 | 0 | 111.7 | F1802 I1883 A1886 | F1802-P1896 HydrophobicContact CB-CG 4.39Å; F1802-P1896 WeakPolarHBondContact O-CA 3.47Å; F1802-P1896 WeakPolarHBondContact O-CD 3.24Å; I1883-P1896 WeakPolarHBondContact O-CA 3.3Å; A1886-P1896 HydrophobicContact CB-CB 3.82Å | ||
| 1897 | A | 83.3 | Confident | 74.5 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -139.3 | -179.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | I1804 I1883 N1885 A1886 P1890 T1895 | I1804-A1897 HydrophobicContact CD1-CB 4.4Å; I1804-A1897 HydrophobicContact CG1-CB 3.84Å; I1883-A1897 CarbonylContact C-O 3.49Å; I1883-A1897 HydrophobicContact CD1-CB 4.02Å; I1883-A1897 HydrophobicContact CG1-CB 3.97Å; I1883-A1897 WeakPolarHBondContact CG2-O 3.34Å; I1883-A1897 PolarHBondContact O-N 2.95Å; I1883-A1897 VanDerWaalsContact O-O 3.09Å; N1885-A1897 CarbonylContact C-O 3.19Å; N1885-A1897 WeakPolarHBondContact CA-O 3.43Å; N1885-A1897 PolarHBondContact N-O 2.86Å; A1886-A1897 PolarHBondContact N-O 3.49Å; A1886-A1897 CarbonylContact O-C 3.54Å; A1886-A1897 WeakPolarHBondContact O-CA 3.46Å; P1890-A1897 HydrophobicContact CB-CB 4.2Å; T1895-A1897 PolarHBondContact O-N 2.98Å |
| 1898 | S | 79.8 | Confident | 73.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -131.6 | 149.7 | 176.5 | 44.9 | 0 | 0 | 0 | 0 | 109.6 | G1731 A1886 A1887 | G1731-S1898 WeakPolarHBondContact CA-O 3.31Å; A1886-S1898 WeakPolarHBondContact O-CB 3.37Å; A1886-S1898 PolarHBondContact O-N 2.96Å; A1886-S1898 VanDerWaalsContact O-N 3.13Å; A1886-S1898 PolarHBondContact O-OG 3.44Å; A1887-S1898 WeakPolarHBondContact CA-OG 3.36Å | ||
| 1899 | T | 81.3 | Confident | 71.9 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | trans | -101.7 | 152.1 | 163.3 | 60.2 | 0 | 0 | 0 | 0 | 108.8 | S1732 I1879 I1883 T1901 S1902 I1903 | S1732-T1899 WeakPolarHBondContact OG-CB 3.19Å; I1879-T1899 HydrophobicContact CD1-CG2 4.37Å; I1879-T1899 HydrophobicContact CG2-CG2 3.73Å; I1883-T1899 HydrophobicContact CD1-CG2 3.69Å; T1899-T1901 PolarHBondContact O-N 3.11Å; T1899-S1902 PolarHBondContact N-OG 2.63Å; T1899-S1902 PolarHBondContact O-N 3.5Å; T1899-S1902 VanDerWaalsContact O-N 3.11Å; T1899-S1902 PolarHBondContact O-OG 2.95Å; T1899-S1902 WeakPolarHBondContact OG1-CB 3.45Å; T1899-S1902 PolarHBondContact OG1-N 3.37Å; T1899-S1902 VanDerWaalsContact OG1-N 3.08Å; T1899-S1902 PolarHBondContact OG1-OG 2.74Å; T1899-I1903 PolarHBondContact O-N 2.94Å; T1899-I1903 VanDerWaalsContact O-N 3.09Å | ||
| 1900 | L | 72.9 | Confident | 70.3 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -54.1 | -41.1 | 173 | -172.7 | 65.9 | 0 | 0 | 0 | 110.4 | M1728 S1732 L1904 | M1728-L1900 HydrophobicContact CB-CB 4.25Å; M1728-L1900 HydrophobicContact CB-CD1 4.25Å; M1728-L1900 HydrophobicContact CE-CD1 4.22Å; M1728-L1900 PolarHBondContact O-N 3.16Å; M1728-L1900 HydrophobicContact SD-CD1 4.23Å; S1732-L1900 PolarHBondContact OG-N 2.85Å; L1900-L1904 HydrophobicContact CG-CD1 4.03Å; L1900-L1904 WeakPolarHBondContact O-CB 3.24Å; L1900-L1904 WeakPolarHBondContact O-CG 3.22Å; L1900-L1904 PolarHBondContact O-N 3.21Å |
| 1901 | T | 67.9 | Low | 68.7 | Low | 25 Ų | 25 | 48 Ų | 48 | 15% | 0.153 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.6 | -35.4 | 178.9 | -20.6 | 0 | 0 | 0 | 0 | 113.1 | F1873 A1876 T1899 T1905 | F1873-T1901 WeakPolarHBondContact O-CG2 3.46Å; F1873-T1901 PolarHBondContact O-OG1 3.04Å; A1876-T1901 HydrophobicContact CB-CG2 4.01Å; A1876-T1901 WeakPolarHBondContact CB-O 3.17Å; T1899-T1901 PolarHBondContact O-N 3.11Å; T1901-T1905 WeakPolarHBondContact O-CB 3.29Å; T1901-T1905 PolarHBondContact O-N 2.96Å; T1901-T1905 PolarHBondContact O-OG1 3.46Å |
| 1902 | S | 67.6 | Low | 67 | Low | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.7 | -38.5 | 178.2 | 75.9 | 0 | 0 | 0 | 0 | 112.7 | N1885 T1899 T1905 M1906 | N1885-S1902 VanDerWaalsContact OD1-CB 3.28Å; N1885-S1902 WeakPolarHBondContact OD1-CB 3.26Å; N1885-S1902 PolarHBondContact OD1-OG 3Å; T1899-S1902 PolarHBondContact N-OG 2.63Å; T1899-S1902 PolarHBondContact O-N 3.5Å; T1899-S1902 VanDerWaalsContact O-N 3.11Å; T1899-S1902 PolarHBondContact O-OG 2.95Å; T1899-S1902 WeakPolarHBondContact OG1-CB 3.45Å; T1899-S1902 PolarHBondContact OG1-N 3.37Å; T1899-S1902 VanDerWaalsContact OG1-N 3.08Å; T1899-S1902 PolarHBondContact OG1-OG 2.74Å; S1902-T1905 PolarHBondContact O-N 3.48Å; S1902-M1906 PolarHBondContact O-N 3.45Å |
| 1903 | I | 70 | Confident | 64.9 | Low | 33 Ų | 33 | 51.7 Ų | 51.7 | 17% | 0.169 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 174.1 | -63.4 | -66.2 | 0 | 0 | 0 | 111 | M1728 T1899 T1905 M1906 G1907 | M1728-I1903 HydrophobicContact CG-CG1 4.11Å; M1728-I1903 HydrophobicContact SD-CB 3.63Å; M1728-I1903 HydrophobicContact SD-CG1 3.65Å; M1728-I1903 HydrophobicContact SD-CG2 3.62Å; T1899-I1903 PolarHBondContact O-N 2.94Å; T1899-I1903 VanDerWaalsContact O-N 3.09Å; I1903-T1905 VanDerWaalsContact C-N 3.28Å; I1903-T1905 PolarHBondContact O-N 3.09Å; I1903-M1906 PolarHBondContact O-N 3.14Å; I1903-G1907 PolarHBondContact O-N 2.81Å |
| 1904 | L | 62.6 | Low | 63.2 | Low | 92 Ų | 92 | 50.9 Ų | 50.9 | 48% | 0.482 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.2 | -39.9 | 172.5 | -74.4 | 170 | 0 | 0 | 0 | 112.2 | L1900 G1907 I1908 | L1900-L1904 HydrophobicContact CG-CD1 4.03Å; L1900-L1904 WeakPolarHBondContact O-CB 3.24Å; L1900-L1904 WeakPolarHBondContact O-CG 3.22Å; L1900-L1904 PolarHBondContact O-N 3.21Å; L1904-G1907 WeakPolarHBondContact O-CA 3.22Å; L1904-G1907 PolarHBondContact O-N 2.69Å; L1904-G1907 VanDerWaalsContact O-N 3.15Å; L1904-I1908 WeakPolarHBondContact O-CG1 3.18Å; L1904-I1908 PolarHBondContact O-N 3.46Å; L1904-I1908 VanDerWaalsContact O-N 3.12Å |
| 1905 | T | 58.7 | Low | 62 | Low | 49 Ų | 49 | 52.1 Ų | 52.1 | 30% | 0.301 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -72.3 | -35.3 | -179.4 | -58.3 | 0 | 0 | 0 | 0 | 112.8 | A1876 T1901 S1902 I1903 G1907 | A1876-T1905 HydrophobicContact CB-CG2 4.16Å; A1876-T1905 WeakPolarHBondContact CB-OG1 3.35Å; T1901-T1905 WeakPolarHBondContact O-CB 3.29Å; T1901-T1905 PolarHBondContact O-N 2.96Å; T1901-T1905 PolarHBondContact O-OG1 3.46Å; S1902-T1905 PolarHBondContact O-N 3.48Å; I1903-T1905 VanDerWaalsContact C-N 3.28Å; I1903-T1905 PolarHBondContact O-N 3.09Å; T1905-G1907 VanDerWaalsContact C-N 3.32Å |
| 1906 | M | 62.3 | Low | 60.8 | Low | 69 Ų | 69 | 53.8 Ų | 53.8 | 34% | 0.34 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 165.2 | -72.1 | -174.5 | 171.2 | 0 | 0 | 111.6 | Q1880 N1885 S1902 I1903 I1908 G1909 N1910 | Q1880-M1906 HydrophobicContact CG-CE 4.09Å; N1885-M1906 HydrophobicContact CB-CE 3.78Å; N1885-M1906 HydrophobicContact CB-SD 4.32Å; S1902-M1906 PolarHBondContact O-N 3.45Å; I1903-M1906 PolarHBondContact O-N 3.14Å; M1906-I1908 PolarHBondContact O-N 2.73Å; M1906-G1909 PolarHBondContact O-N 2.84Å; M1906-N1910 PolarHBondContact O-N 3.05Å |
| 1907 | G | 56 | Low | 59.4 | Low | 11 Ų | 11 | 56.3 Ų | 56.3 | 11% | 0.113 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.8 | -49.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1903 L1904 T1905 G1909 N1910 T1911 | I1903-G1907 PolarHBondContact O-N 2.81Å; L1904-G1907 WeakPolarHBondContact O-CA 3.22Å; L1904-G1907 PolarHBondContact O-N 2.69Å; L1904-G1907 VanDerWaalsContact O-N 3.15Å; T1905-G1907 VanDerWaalsContact C-N 3.32Å; G1907-G1909 PolarHBondContact O-N 2.99Å; G1907-G1909 VanDerWaalsContact O-N 3.08Å; G1907-N1910 PolarHBondContact O-N 3.2Å; G1907-T1911 WeakPolarHBondContact O-CB 3.45Å; G1907-T1911 WeakPolarHBondContact O-CG2 3.4Å; G1907-T1911 PolarHBondContact O-N 3.06Å; G1907-T1911 PolarHBondContact O-OG1 2.99Å |
| 1908 | I | 48.3 | Very low | 57.9 | Low | 74 Ų | 74 | 56.9 Ų | 56.9 | 38% | 0.379 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -52.6 | -39 | -175.7 | -26.4 | -177.1 | 0 | 0 | 0 | 112.7 | L1904 M1906 V1920 L1921 | L1904-I1908 WeakPolarHBondContact O-CG1 3.18Å; L1904-I1908 PolarHBondContact O-N 3.46Å; L1904-I1908 VanDerWaalsContact O-N 3.12Å; M1906-I1908 PolarHBondContact O-N 2.73Å; I1908-V1920 HydrophobicContact CB-CG2 4.31Å; I1908-V1920 HydrophobicContact CD1-CB 4.45Å; I1908-V1920 HydrophobicContact CD1-CG2 4.11Å; I1908-V1920 HydrophobicContact CG1-CG2 3.72Å; I1908-V1920 HydrophobicContact CG2-CG2 4.08Å; I1908-L1921 HydrophobicContact CD1-CD1 4.08Å |
| 1909 | G | 47.3 | Very low | 56.5 | Low | 57 Ų | 57 | 58.4 Ų | 58.4 | 59% | 0.588 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -87 | -33.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1906 G1907 | M1906-G1909 PolarHBondContact O-N 2.84Å; G1907-G1909 PolarHBondContact O-N 2.99Å; G1907-G1909 VanDerWaalsContact O-N 3.08Å |
| 1910 | N | 46.3 | Very low | 54.3 | Low | 142 Ų | 142 | 61.9 Ų | 61.9 | 76% | 0.759 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -99.5 | -8.7 | -167.5 | -70.1 | -6.6 | 0 | 0 | 0 | 114.5 | M1906 G1907 | M1906-N1910 PolarHBondContact O-N 3.05Å; G1907-N1910 PolarHBondContact O-N 3.2Å |
| 1911 | T | 42.8 | Very low | 51.5 | Low | 20 Ų | 20 | 65.5 Ų | 65.5 | 12% | 0.123 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -111.4 | 146.5 | -167.7 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | G1907 E1917 N1918 | G1907-T1911 WeakPolarHBondContact O-CB 3.45Å; G1907-T1911 WeakPolarHBondContact O-CG2 3.4Å; G1907-T1911 PolarHBondContact O-N 3.06Å; G1907-T1911 PolarHBondContact O-OG1 2.99Å; T1911-E1917 HydrophobicContact CG2-CB 3.58Å; T1911-E1917 HydrophobicContact CG2-CG 3.61Å; T1911-N1918 PolarHBondContact O-ND2 3.49Å; T1911-N1918 WeakPolarHBondContact OG1-CA 3.41Å; T1911-N1918 VanDerWaalsContact OG1-CB 3.29Å; T1911-N1918 WeakPolarHBondContact OG1-CB 3.47Å; T1911-N1918 PolarHBondContact OG1-ND2 3.26Å |
| 1912 | I | 45.2 | Very low | 50 | Low | 97 Ų | 97 | 74.8 Ų | 74.8 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | trans | -84.1 | 130.9 | -178.9 | -58.6 | 170.8 | 0 | 0 | 0 | 109.2 | G1914 T1915 | I1912-G1914 PolarHBondContact O-N 3.04Å; I1912-T1915 HydrophobicContact CB-CG2 3.9Å; I1912-T1915 WeakPolarHBondContact O-CB 3.48Å; I1912-T1915 PolarHBondContact O-N 2.99Å; I1912-T1915 PolarHBondContact O-OG1 2.83Å | ||
| 1913 | M | 39.4 | Very low | 48.2 | Very low | 159 Ų | 159 | 81.5 Ų | 81.5 | 78% | 0.783 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 122.9 | 171.9 | -86.7 | -168.2 | 173.2 | 0 | 0 | 111.3 | N1918 | M1913-N1918 WeakPolarHBondContact CA-OD1 3.22Å; M1913-N1918 VanDerWaalsContact CG-OD1 3.29Å; M1913-N1918 WeakPolarHBondContact CG-OD1 3.42Å |
| 1914 | G | 48.7 | Very low | 46.3 | Very low | 69 Ų | 69 | 87.4 Ų | 87.4 | 71% | 0.711 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.7 | -7.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | I1912 | I1912-G1914 PolarHBondContact O-N 3.04Š|
| 1915 | T | 57.7 | Low | 44.8 | Very low | 54 Ų | 54 | 92.2 Ų | 92.2 | 33% | 0.331 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -72.8 | 164.6 | 159.8 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | I1912 E1917 | I1912-T1915 HydrophobicContact CB-CG2 3.9Å; I1912-T1915 WeakPolarHBondContact O-CB 3.48Å; I1912-T1915 PolarHBondContact O-N 2.99Å; I1912-T1915 PolarHBondContact O-OG1 2.83Å; T1915-E1917 PolarHBondContact O-N 2.77Å |
| 1916 | V | 56.8 | Low | 43.4 | Very low | 75 Ų | 75 | 93 Ų | 93 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -11.6 | 175.2 | -176.2 | 0 | 0 | 0 | 0 | 112.7 | T1693 | T1693-V1916 HydrophobicContact CG2-CG1 4.32Š|
| 1917 | E | 53.4 | Low | 41.8 | Very low | 95 Ų | 95 | 97.8 Ų | 97.8 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -4.2 | -154.9 | -140.4 | 167.5 | -144.4 | 0 | 0 | 114.9 | T1911 T1915 | T1911-E1917 HydrophobicContact CG2-CB 3.58Å; T1911-E1917 HydrophobicContact CG2-CG 3.61Å; T1915-E1917 PolarHBondContact O-N 2.77Å |
| 1918 | N | 50.5 | Low | 40.4 | Very low | 13 Ų | 13 | 103.1 Ų | 103.1 | 7% | 0.07 | 51% | 0.513 | C | S | . | . | trans | -107.7 | -33.1 | -149.3 | 174.2 | -96.8 | 0 | 0 | 0 | 123.8 | T1911 M1913 | T1911-N1918 PolarHBondContact O-ND2 3.49Å; T1911-N1918 WeakPolarHBondContact OG1-CA 3.41Å; T1911-N1918 VanDerWaalsContact OG1-CB 3.29Å; T1911-N1918 WeakPolarHBondContact OG1-CB 3.47Å; T1911-N1918 PolarHBondContact OG1-ND2 3.26Å; M1913-N1918 WeakPolarHBondContact CA-OD1 3.22Å; M1913-N1918 VanDerWaalsContact CG-OD1 3.29Å; M1913-N1918 WeakPolarHBondContact CG-OD1 3.42Å | ||
| 1919 | N | 50.2 | Low | 39.5 | Very low | 31 Ų | 31 | 103.6 Ų | 103.6 | 17% | 0.166 | 52% | 0.516 | C | S | . | . | trans | -89.8 | 0 | -134.6 | -54.2 | -79.2 | 0 | 0 | 0 | 119.5 | F1685 K1689 | F1685-N1919 HydrophobicContact CE1-CB 3.78Å; F1685-N1919 HydrophobicContact CZ-CB 4.23Å; K1689-N1919 HydrophobicContact CB-CB 4.48Å; K1689-N1919 HydrophobicContact CD-CB 3.9Å; K1689-N1919 WeakPolarHBondContact CD-OD1 3.4Å; K1689-N1919 PolarHBondContact NZ-OD1 2.61Å | ||
| 1920 | V | 35.7 | Very low | 38.6 | Very low | 74 Ų | 74 | 103.5 Ų | 103.5 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | 0 | 0 | 0 | -107.1 | 0 | 0 | 0 | 0 | 127 | I1908 | I1908-V1920 HydrophobicContact CB-CG2 4.31Å; I1908-V1920 HydrophobicContact CD1-CB 4.45Å; I1908-V1920 HydrophobicContact CD1-CG2 4.11Å; I1908-V1920 HydrophobicContact CG1-CG2 3.72Å; I1908-V1920 HydrophobicContact CG2-CG2 4.08Å | |||
| 1921 | L | 14.9 | Very low | 37.8 | Very low | 137 Ų | 137 | 101.9 Ų | 101.9 | 72% | 0.717 | 50% | 0.495 | S | S | * | . | 0 | 0 | 0 | -0.4 | 76.3 | 0 | 0 | 0 | 127.4 | I1908 | I1908-L1921 HydrophobicContact CD1-CD1 4.08Š| |||
| 1922 | W | 34.5 | Very low | 36.9 | Very low | 220 Ų | 220 | 107.7 Ų | 107.7 | 83% | 0.833 | 52% | 0.519 | S | S | * | . | 0 | 0 | 0 | -106.9 | -18.6 | 0 | 0 | 0 | 126.4 | |||||
| 1923 | K | 30.8 | Very low | 35.9 | Very low | 141 Ų | 141 | 109.5 Ų | 109.5 | 61% | 0.613 | 53% | 0.526 | S | S | * | . | 0 | 0 | 0 | -71.4 | 158.2 | -171.6 | 170.7 | 0 | 131.2 | |||||
| 1924 | Y | 30.7 | Very low | 35.2 | Very low | 156 Ų | 156 | 108.9 Ų | 108.9 | 61% | 0.612 | 52% | 0.516 | S | S | * | . | 0 | 0 | 0 | -51.5 | -48.1 | 0 | 0 | 0 | 120.7 | L674 | L674-Y1924 HydrophobicContact CD2-CD1 4.03Å; L674-Y1924 HydrophobicContact CD2-CE1 4.17Å | |||
| 1925 | R | 30.1 | Very low | 34.1 | Very low | 193 Ų | 193 | 110.5 Ų | 110.5 | 73% | 0.728 | 51% | 0.508 | S | S | * | . | 0 | 0 | 0 | 168.3 | -174.8 | -172.7 | 172 | 2.1 | 113.8 | L674 | L674-R1925 HydrophobicContact CD1-CG 3.97Š| |||
| 1926 | T | 29.8 | Very low | 32.9 | Very low | 67 Ų | 67 | 113.7 Ų | 113.7 | 41% | 0.411 | 51% | 0.514 | S | S | . | . | 0 | 0 | 0 | 40.4 | 0 | 0 | 0 | 0 | 113.3 | F677 V678 | F677-T1926 HydrophobicContact CD1-CG2 3.69Å; F677-T1926 HydrophobicContact CE1-CG2 3.69Å; V678-T1926 HydrophobicContact CG2-CG2 4.31Å | |||
| 1927 | R | 27.7 | Very low | 33.1 | Very low | 169 Ų | 169 | 115 Ų | 115 | 64% | 0.638 | 52% | 0.515 | S | S | * | . | 0 | 0 | 0 | -115.9 | 177.8 | -173.9 | -166.9 | -0.4 | 113.1 | F677 F681 | F677-R1927 HydrophobicContact CE1-CG 3.83Å; F677-R1927 HydrophobicContact CZ-CG 3.71Å; F677-R1927 VanDerWaalsContact CZ-NE 3.28Å; F681-R1927 VanDerWaalsContact CE2-C 3.41Å; F681-R1927 VanDerWaalsContact CE2-CA 3.46Å; F681-R1927 VanDerWaalsContact CZ-C 3.46Å; F681-R1927 VanDerWaalsContact CZ-CA 3.47Å; F681-R1927 WeakPolarHBondContact CZ-O 3.41Å | |||
| 1928 | R | 27.7 | Very low | 34.1 | Very low | 122 Ų | 122 | 116 Ų | 116 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | 0 | 0 | 0 | -148.5 | -165.7 | 170.8 | -122.6 | -0.3 | 117.3 | M788 | M788-R1928 HydrophobicContact CE-CG 4.13Š| |||
| 1929 | N | 28.9 | Very low | 35.5 | Very low | 85 Ų | 85 | 121 Ų | 121 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | 0 | 0 | 0 | -70.2 | 10 | 0 | 0 | 0 | 126.1 | R688 | R688-N1929 VanDerWaalsContact CZ-O 3.3Å; R688-N1929 PolarHBondContact NH1-O 3.45Å; R688-N1929 PolarHBondContact NH2-O 3.17Å | |||
| 1930 | S | 29.2 | Very low | 37.3 | Very low | 54 Ų | 54 | 121 Ų | 121 | 38% | 0.378 | 54% | 0.538 | S | S | . | . | 0 | 0 | 0 | -71.3 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1931 | M | 28.8 | Very low | 39.9 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 53% | 0.532 | 54% | 0.538 | S | S | . | . | 0 | 0 | 0 | -46.2 | -179.4 | 179.1 | 0 | 0 | 122.2 | E785 I789 | E785-M1931 VanDerWaalsContact CD-CE 3.47Å; E785-M1931 HydrophobicContact CG-CE 4.15Å; E785-M1931 HydrophobicContact CG-SD 4.33Å; E785-M1931 WeakPolarHBondContact OE1-CE 3.19Å; I789-M1931 HydrophobicContact CD1-CB 3.95Å; I789-M1931 HydrophobicContact CG1-CB 3.78Å; I789-M1931 WeakPolarHBondContact CG1-O 3.45Å | |||
| 1932 | K | 24.6 | Very low | 43.4 | Very low | 143 Ų | 143 | 117.1 Ų | 117.1 | 62% | 0.622 | 51% | 0.514 | S | S | * | . | 0 | 178.2 | 0 | -120.2 | -179.8 | -172.9 | 177.6 | 0 | 120.9 | D793 | D793-K1932 IonicContact OD1-NZ 2.8Å; D793-K1932 PolarHBondContact OD1-NZ 3.29Å; D793-K1932 WeakPolarHBondContact OD2-CE 3.28Å; D793-K1932 IonicContact OD2-NZ 2.7Å; D793-K1932 PolarHBondContact OD2-NZ 2.82Å | |||
| 1933 | E | 23.9 | Very low | 45.8 | Very low | 135 Ų | 135 | 116.2 Ų | 116.2 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | trans | -150.6 | 0 | -177 | -83.5 | 177.9 | 148 | 0 | 0 | 118 | R702 | R702-E1933 IonicContact CZ-OE1 3.7Å; R702-E1933 VanDerWaalsContact CZ-OE1 3.28Å; R702-E1933 IonicContact NH1-OE1 3.83Å; R702-E1933 PolarHBondContact NH1-OE1 2.67Å; R702-E1933 IonicContact NH2-OE1 2.97Å; R702-E1933 PolarHBondContact NH2-OE1 3.48Å | ||
| 1934 | Y | 25.1 | Very low | 48.1 | Very low | 146 Ų | 146 | 110.2 Ų | 110.2 | 57% | 0.573 | 48% | 0.484 | S | S | * | . | 0 | 0 | 0 | -123.1 | -103.9 | 0 | 0 | 0 | 126.5 | D2189 H2194 | Y1934-D2189 WeakPolarHBondContact CE1-OD1 3.45Å; Y1934-H2194 HydrophobicContact CD1-CB 3.54Å; Y1934-H2194 HydrophobicContact CD2-CB 4.37Å; Y1934-H2194 HydrophobicContact CE1-CB 3.42Å; Y1934-H2194 VanDerWaalsContact CE1-CB 3.42Å; Y1934-H2194 AromaticContact CE1-CG 3.92Å; Y1934-H2194 HydrophobicContact CE2-CB 4.26Å; Y1934-H2194 AromaticContact CE2-CD2 3.82Å; Y1934-H2194 HydrophobicContact CG-CB 4.03Å; Y1934-H2194 AromaticContact CZ-CD2 3.9Å; Y1934-H2194 AromaticContact CZ-CG 3.76Å | |||
| 1935 | N | 24.4 | Very low | 50.3 | Low | 102 Ų | 102 | 108.1 Ų | 108.1 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | 0 | 0 | 0 | -159.6 | 50.8 | 0 | 0 | 0 | 123.9 | |||||
| 1936 | W | 33.3 | Very low | 52.7 | Low | 122 Ų | 122 | 100.5 Ų | 100.5 | 46% | 0.462 | 47% | 0.471 | S | S | . | . | 0 | -137.5 | 0 | -82.5 | 101.6 | 0 | 0 | 0 | 126.5 | Q2185 A2186 F2195 | W1936-Q2185 CarbonylContact O-C 3.37Å; W1936-Q2185 WeakPolarHBondContact O-CB 3.4Å; W1936-Q2185 WeakPolarHBondContact O-CG 3.33Å; W1936-A2186 WeakPolarHBondContact O-CA 3.39Å; W1936-A2186 PolarHBondContact O-N 3.21Å; W1936-F2195 HydrophobicContact CH2-CE1 4.05Å; W1936-F2195 HydrophobicContact CH2-CZ 4.02Å; W1936-F2195 HydrophobicContact CZ3-CE1 4.3Å; W1936-F2195 HydrophobicContact CZ3-CE2 4.2Å; W1936-F2195 AromaticContact CZ3-CZ 3.79Å; W1936-F2195 HydrophobicContact CZ3-CZ 3.79Å | |||
| 1937 | E | 61.5 | Low | 55.4 | Low | 102 Ų | 102 | 103.3 Ų | 103.3 | 48% | 0.477 | 48% | 0.48 | S | S | . | . | trans | -128.1 | 163.5 | -140 | -179.7 | 175.7 | -147 | 0 | 0 | 126 | Y2165 I2170 A2186 | E1937-Y2165 VanDerWaalsContact OE1-CD1 3.27Å; E1937-Y2165 WeakPolarHBondContact OE1-CD1 3.28Å; E1937-Y2165 WeakPolarHBondContact OE1-CE1 3.29Å; E1937-I2170 HydrophobicContact CG-CD1 4.49Å; E1937-I2170 WeakPolarHBondContact OE1-CD1 3.3Å; E1937-A2186 HydrophobicContact CB-CB 3.73Å; E1937-A2186 HydrophobicContact CG-CB 3.97Å | ||
| 1938 | E | 74.1 | Confident | 58.4 | Low | 117 Ų | 117 | 98 Ų | 98 | 55% | 0.547 | 46% | 0.463 | S | S | . | . | trans | -169 | -162.2 | -176.7 | -160.3 | -179.3 | 171.2 | 0 | 0 | 116.8 | I2184 | E1938-I2184 HydrophobicContact CB-CB 4.16Å; E1938-I2184 HydrophobicContact CB-CD1 3.76Å; E1938-I2184 HydrophobicContact CB-CG1 4.34Å; E1938-I2184 HydrophobicContact CB-CG2 3.59Å; E1938-I2184 HydrophobicContact CG-CD1 3.78Å | ||
| 1939 | R | 79.3 | Confident | 61.4 | Low | 117 Ų | 117 | 92.8 Ų | 92.8 | 44% | 0.442 | 45% | 0.446 | S | S | . | . | trans | -151.5 | 149.9 | 167.7 | -66.8 | -162.6 | -168.7 | -78.2 | -18.6 | 120.4 | V2169 I2170 I2184 | R1939-V2169 PolarHBondContact NH1-O 2.88Å; R1939-I2170 CarbonylContact C-O 3.55Å; R1939-I2170 VanDerWaalsContact CA-O 3.3Å; R1939-I2170 WeakPolarHBondContact CA-O 3.48Å; R1939-I2170 HydrophobicContact CG-CD1 4.3Å; R1939-I2170 VanDerWaalsContact NH1-CD1 3.3Å; R1939-I2184 VanDerWaalsContact N-CD1 3.35Å | ||
| 1940 | N | 88.6 | Confident | 64.6 | Low | 32 Ų | 32 | 88.7 Ų | 88.7 | 17% | 0.171 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 125.6 | 177.1 | 156 | 64.3 | 0 | 0 | 0 | 116.4 | I2170 E2171 Y2172 K2183 I2184 | N1940-I2170 PolarHBondContact N-O 3.47Å; N1940-E2171 HydrophobicContact CB-CG 3.98Å; N1940-E2171 VanDerWaalsContact ND2-CG 3.33Å; N1940-E2171 WeakPolarHBondContact ND2-CG 3.4Å; N1940-E2171 PolarHBondContact ND2-OE1 2.52Å; N1940-E2171 CarbonylContact O-C 3.58Å; N1940-E2171 WeakPolarHBondContact O-CA 3.26Å; N1940-E2171 WeakPolarHBondContact O-CG 3.5Å; N1940-Y2172 PolarHBondContact O-N 2.82Å; N1940-K2183 HydrophobicContact CB-CB 4.25Å; N1940-K2183 HydrophobicContact CB-CD 4.2Å; N1940-K2183 VanDerWaalsContact CG-NZ 3.3Å; N1940-K2183 WeakPolarHBondContact ND2-CD 3.4Å; N1940-K2183 VanDerWaalsContact ND2-CE 3.26Å; N1940-K2183 WeakPolarHBondContact ND2-CE 3.46Å; N1940-K2183 PolarHBondContact ND2-NZ 2.93Å; N1940-K2183 PolarHBondContact OD1-NZ 3.21Å; N1940-I2184 HydrophobicContact CB-CD1 3.98Å; N1940-I2184 HydrophobicContact CB-CG1 4.42Å |
| 1941 | I | 89.3 | Confident | 67.7 | Low | 87 Ų | 87 | 88.4 Ų | 88.4 | 45% | 0.446 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 135.3 | 179.9 | -65.6 | 176.3 | 0 | 0 | 0 | 112.7 | V2169 Y2172 | I1941-V2169 HydrophobicContact CD1-CB 3.87Å; I1941-V2169 HydrophobicContact CD1-CG1 3.68Å; I1941-V2169 HydrophobicContact CG1-CG1 3.9Å; I1941-Y2172 HydrophobicContact CG2-CD1 4.28Å |
| 1942 | I | 88.6 | Confident | 70.9 | Confident | 42 Ų | 42 | 83.5 Ų | 83.5 | 22% | 0.215 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -101.5 | 167.2 | 177.3 | 75.4 | 167.7 | 0 | 0 | 0 | 115 | M1944 Y2160 Y2172 D2173 | I1942-M1944 HydrophobicContact CD1-CE 3.58Å; I1942-M1944 HydrophobicContact CG1-CE 3.65Å; I1942-Y2160 HydrophobicContact CD1-CD1 4.47Å; I1942-Y2160 HydrophobicContact CD1-CE1 4.38Å; I1942-Y2172 HydrophobicContact CG1-CD1 4.38Å; I1942-Y2172 PolarHBondContact N-O 2.52Å; I1942-D2173 HydrophobicContact CG2-CB 4.38Å |
| 1943 | R | 84.8 | Confident | 74.1 | Confident | 200 Ų | 200 | 80.3 Ų | 80.3 | 76% | 0.755 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -101.5 | 154.4 | 163.3 | -73.3 | -169.1 | -178.2 | -108 | 2.5 | 111.4 | E1971 | R1943-E1971 VanDerWaalsContact CA-OE2 3.23Å; R1943-E1971 WeakPolarHBondContact CA-OE2 3.39Å; R1943-E1971 WeakPolarHBondContact CB-OE2 3.39Å; R1943-E1971 WeakPolarHBondContact CD-OE1 3.46Å; R1943-E1971 IonicContact CZ-OE1 2.76Å; R1943-E1971 IonicContact NE-OE1 2.66Å; R1943-E1971 IonicContact NH1-OE1 3.73Å; R1943-E1971 PolarHBondContact NH1-OE1 3.12Å |
| 1944 | M | 79.7 | Confident | 77.3 | Confident | 15 Ų | 15 | 78.7 Ų | 78.7 | 7% | 0.074 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 142.8 | -178.5 | -58 | -71.8 | 92.3 | 0 | 0 | 111.8 | I1942 I1948 E1971 E1973 Y2160 Y2172 | I1942-M1944 HydrophobicContact CD1-CE 3.58Å; I1942-M1944 HydrophobicContact CG1-CE 3.65Å; M1944-I1948 HydrophobicContact CB-CD1 3.62Å; M1944-I1948 HydrophobicContact CG-CD1 4.36Å; M1944-E1971 HydrophobicContact CB-CB 4.21Å; M1944-E1971 HydrophobicContact CG-CB 3.62Å; M1944-E1971 WeakPolarHBondContact CG-O 3.32Å; M1944-E1971 PolarHBondContact N-OE2 3.22Å; M1944-E1973 HydrophobicContact CB-CB 4.39Å; M1944-E1973 HydrophobicContact CG-CB 4.48Å; M1944-E1973 HydrophobicContact SD-CB 4.43Å; M1944-Y2160 HydrophobicContact CE-CD1 3.58Å; M1944-Y2160 HydrophobicContact CE-CE1 3.6Å; M1944-Y2160 HydrophobicContact CE-CG 4.08Å; M1944-Y2160 HydrophobicContact SD-CD1 3.77Å; M1944-Y2160 HydrophobicContact SD-CD2 3.66Å; M1944-Y2160 HydrophobicContact SD-CE1 3.67Å; M1944-Y2160 HydrophobicContact SD-CE2 3.53Å; M1944-Y2160 VanDerWaalsContact SD-CE2 3.53Å; M1944-Y2160 HydrophobicContact SD-CG 3.77Å; M1944-Y2160 VanDerWaalsContact SD-CZ 3.53Å; M1944-Y2172 HydrophobicContact CE-CD1 4.41Å; M1944-Y2172 HydrophobicContact CE-CE1 3.61Å; M1944-Y2172 HydrophobicContact SD-CE1 4.4Å |
| 1945 | P | 77.1 | Confident | 80.6 | Confident | 113 Ų | 113 | 71.7 Ų | 71.7 | 73% | 0.734 | 35% | 0.349 | S | S | * | . | trans | -88 | -18.6 | -178.4 | 34.3 | -35.7 | 0 | 0 | 0 | 114.8 | Y2160 | P1945-Y2160 WeakPolarHBondContact CD-OH 3.37Š| ||
| 1946 | G | 79.7 | Confident | 83.9 | Confident | 32 Ų | 32 | 68.5 Ų | 68.5 | 33% | 0.33 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -93 | -168.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | I1948 | G1946-I1948 PolarHBondContact O-N 3.01Š|
| 1947 | E | 88 | Confident | 86.6 | Confident | 126 Ų | 126 | 62.7 Ų | 62.7 | 59% | 0.589 | 31% | 0.309 | S | S | * | . | trans | -67.2 | 119 | 172.2 | -170.4 | -170.3 | 152.3 | 0 | 0 | 109.5 | A1949 K1974 | E1947-A1949 PolarHBondContact O-N 2.81Å; E1947-K1974 HydrophobicContact CB-CB 4.4Å; E1947-K1974 HydrophobicContact CB-CD 4.27Å; E1947-K1974 HydrophobicContact CG-CD 4.07Å; E1947-K1974 WeakPolarHBondContact O-CB 3.49Å; E1947-K1974 PolarHBondContact O-N 3.17Å; E1947-K1974 WeakPolarHBondContact OE1-CD 3.49Å; E1947-K1974 IonicContact OE1-NZ 3.55Å; E1947-K1974 PolarHBondContact OE1-NZ 3.02Å; E1947-K1974 WeakPolarHBondContact OE2-CD 2.98Å; E1947-K1974 IonicContact OE2-NZ 3.54Å; E1947-K1974 PolarHBondContact OE2-NZ 2.87Å | ||
| 1948 | I | 90.6 | Very high | 87.9 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 29% | 0.292 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 120.6 | -178.6 | -50 | -53.6 | 0 | 0 | 0 | 109.8 | M1944 G1946 L1950 H1951 E1971 | M1944-I1948 HydrophobicContact CB-CD1 3.62Å; M1944-I1948 HydrophobicContact CG-CD1 4.36Å; G1946-I1948 PolarHBondContact O-N 3.01Å; I1948-L1950 VanDerWaalsContact CG2-O 3.29Å; I1948-L1950 WeakPolarHBondContact CG2-O 3.43Å; I1948-H1951 HydrophobicContact CG2-CB 4.07Å; I1948-E1971 HydrophobicContact CD1-CB 4.34Å |
| 1949 | A | 90.8 | Very high | 88.4 | Confident | 13 Ų | 13 | 58.1 Ų | 58.1 | 11% | 0.107 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -40.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1947 F1972 K1974 Y2013 I2113 T2143 | E1947-A1949 PolarHBondContact O-N 2.81Å; A1949-F1972 PolarHBondContact N-O 2.81Å; A1949-K1974 HydrophobicContact CB-CB 4.08Å; A1949-Y2013 WeakPolarHBondContact O-CD2 3.27Å; A1949-I2113 HydrophobicContact CB-CD1 3.98Å; A1949-I2113 HydrophobicContact CB-CG1 4.26Å; A1949-T2143 HydrophobicContact CB-CG2 3.95Å |
| 1950 | L | 94.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 147.2 | 178.9 | -178.1 | 150.9 | 0 | 0 | 0 | 109.8 | I1948 T1952 F1972 L1995 I2011 V2012 I2032 I2113 | I1948-L1950 VanDerWaalsContact CG2-O 3.29Å; I1948-L1950 WeakPolarHBondContact CG2-O 3.43Å; L1950-T1952 HydrophobicContact CD2-CG2 4.2Å; L1950-F1972 HydrophobicContact CD2-CD2 3.79Å; L1950-F1972 HydrophobicContact CD2-CE2 4.14Å; L1950-F1972 WeakPolarHBondContact O-CB 3.3Å; L1950-F1972 PolarHBondContact O-N 2.89Å; L1950-L1995 HydrophobicContact CD1-CB 4.4Å; L1950-L1995 HydrophobicContact CD2-CD1 4.39Å; L1950-L1995 HydrophobicContact CD2-CD2 4.03Å; L1950-I2011 HydrophobicContact CD1-CG2 4.06Å; L1950-I2011 HydrophobicContact CD2-CG2 4.25Å; L1950-I2011 HydrophobicContact CG-CG2 4.32Å; L1950-V2012 VanDerWaalsContact CA-O 3.32Å; L1950-V2012 WeakPolarHBondContact CA-O 3.41Å; L1950-I2032 HydrophobicContact CD1-CD1 3.89Å; L1950-I2113 HydrophobicContact CB-CD1 3.66Å; L1950-I2113 HydrophobicContact CD1-CD1 4.11Å |
| 1951 | H | 94.5 | Very high | 88 | Confident | 48 Ų | 48 | 61.4 Ų | 61.4 | 22% | 0.222 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 160.6 | 166.5 | 59.5 | -88.9 | 0 | 0 | 0 | 111.9 | I1948 L1970 E1971 I2011 V2012 | I1948-H1951 HydrophobicContact CG2-CB 4.07Å; H1951-L1970 CarbonylContact C-O 3.51Å; H1951-L1970 VanDerWaalsContact CA-O 3.26Å; H1951-L1970 WeakPolarHBondContact CA-O 3.37Å; H1951-L1970 WeakPolarHBondContact CB-O 3.32Å; H1951-E1971 HydrophobicContact CB-CB 4.35Å; H1951-E1971 HydrophobicContact CB-CG 3.93Å; H1951-I2011 CarbonylContact O-C 2.82Å; H1951-V2012 PolarHBondContact N-O 3.48Å; H1951-V2012 WeakPolarHBondContact NE2-CB 3.3Å; H1951-V2012 PolarHBondContact O-N 2.88Å |
| 1952 | T | 96.1 | Very high | 87.2 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 141.2 | 174 | 64.7 | 0 | 0 | 0 | 0 | 111 | L1950 L1955 V1968 D1969 L1970 Y1991 L1995 K2010 I2011 | L1950-T1952 HydrophobicContact CD2-CG2 4.2Å; T1952-L1955 HydrophobicContact CG2-CD2 4.17Å; T1952-V1968 PolarHBondContact OG1-O 3.28Å; T1952-D1969 WeakPolarHBondContact O-CA 3.34Å; T1952-L1970 PolarHBondContact N-O 3.39Å; T1952-L1970 PolarHBondContact OG1-N 3.17Å; T1952-Y1991 HydrophobicContact CG2-CE2 4.34Å; T1952-Y1991 WeakPolarHBondContact CG2-OH 3.36Å; T1952-Y1991 PolarHBondContact OG1-OH 2.74Å; T1952-L1995 HydrophobicContact CG2-CD2 3.64Å; T1952-K2010 WeakPolarHBondContact CA-O 3.47Å; T1952-I2011 HydrophobicContact CG2-CG1 4.1Å; T1952-I2011 HydrophobicContact CG2-CG2 4.34Å |
| 1953 | E | 91 | Very high | 87.2 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125 | 177.2 | -60.3 | -177.4 | 135.7 | 0 | 0 | 109.3 | L1955 D1969 G2009 K2010 | E1953-L1955 PolarHBondContact O-N 3.08Å; E1953-D1969 WeakPolarHBondContact CA-OD1 3.33Å; E1953-G2009 CarbonylContact O-C 2.69Å; E1953-G2009 WeakPolarHBondContact O-CA 3.34Å; E1953-K2010 HydrophobicContact CB-CB 4.29Å; E1953-K2010 PolarHBondContact N-O 3.42Å; E1953-K2010 PolarHBondContact O-N 2.92Å; E1953-K2010 WeakPolarHBondContact OE2-CD 3.3Å; E1953-K2010 WeakPolarHBondContact OE2-CE 3.43Å; E1953-K2010 IonicContact OE2-NZ 2.87Å; E1953-K2010 PolarHBondContact OE2-NZ 2.8Å |
| 1954 | D | 91.8 | Very high | 87.1 | Confident | 101 Ų | 101 | 54.4 Ų | 54.4 | 54% | 0.54 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.7 | 41.5 | 176.4 | -162.6 | 40.2 | 0 | 0 | 0 | 112.5 | H1956 D1969 G2009 | D1954-H1956 PolarHBondContact O-CD2 3Å; D1954-H1956 VanDerWaalsContact O-CD2 3.3Å; D1954-H1956 PolarHBondContact O-N 3.04Å; D1954-H1956 IonicContact OD1-NE2 2.79Å; D1954-D1969 PolarHBondContact N-OD1 2.87Å; D1954-G2009 VanDerWaalsContact O-CA 3.22Å; D1954-G2009 WeakPolarHBondContact O-CA 3.48Å |
| 1955 | L | 94.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 120 | -172.5 | -168 | 75.6 | 0 | 0 | 0 | 110.7 | T1952 E1953 V1957 I1965 G1967 V1968 Y1991 V2007 T2008 I2011 | T1952-L1955 HydrophobicContact CG2-CD2 4.17Å; E1953-L1955 PolarHBondContact O-N 3.08Å; L1955-V1957 HydrophobicContact CG-CG2 4.47Å; L1955-I1965 WeakPolarHBondContact O-CG2 3.34Å; L1955-G1967 WeakPolarHBondContact O-CA 3.43Å; L1955-G1967 PolarHBondContact O-N 2.82Å; L1955-V1968 WeakPolarHBondContact CB-O 3.48Å; L1955-V1968 PolarHBondContact O-N 3.45Å; L1955-Y1991 HydrophobicContact CD2-CD2 3.75Å; L1955-Y1991 HydrophobicContact CD2-CE2 3.54Å; L1955-V2007 HydrophobicContact CD1-CG1 3.7Å; L1955-T2008 WeakPolarHBondContact CA-O 3.49Å; L1955-I2011 HydrophobicContact CD1-CD1 3.87Å; L1955-I2011 HydrophobicContact CD1-CG1 3.68Å |
| 1956 | H | 94 | Very high | 88.4 | Confident | 35 Ų | 35 | 51.5 Ų | 51.5 | 16% | 0.162 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 145.2 | 166.7 | -61.8 | -109.5 | 0 | 0 | 0 | 110.3 | D1954 Y1958 E1963 I1965 G1967 V2007 T2008 | D1954-H1956 PolarHBondContact O-CD2 3Å; D1954-H1956 VanDerWaalsContact O-CD2 3.3Å; D1954-H1956 PolarHBondContact O-N 3.04Å; D1954-H1956 IonicContact OD1-NE2 2.79Å; H1956-Y1958 HydrophobicContact CB-CD2 4.41Å; H1956-Y1958 HydrophobicContact CB-CE2 3.55Å; H1956-Y1958 PolarHBondContact ND1-OH 2.86Å; H1956-E1963 IonicContact CE1-OE1 3.96Å; H1956-E1963 PolarHBondContact CE1-OE1 2.86Å; H1956-E1963 IonicContact CG-OE1 3.15Å; H1956-E1963 IonicContact ND1-OE1 2.78Å; H1956-E1963 PolarHBondContact ND1-OE1 3.22Å; H1956-I1965 WeakPolarHBondContact CA-O 3.47Å; H1956-G1967 PolarHBondContact CE1-N 2.72Å; H1956-G1967 VanDerWaalsContact CE1-N 3.27Å; H1956-G1967 PolarHBondContact ND1-N 3.13Å; H1956-V2007 WeakPolarHBondContact O-CA 3.49Å; H1956-T2008 PolarHBondContact N-O 3.25Å; H1956-T2008 PolarHBondContact O-N 3.42Å |
| 1957 | V | 90.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 117.6 | 175.2 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | L1955 A1964 I1965 T1990 N1999 S2006 V2007 | L1955-V1957 HydrophobicContact CG-CG2 4.47Å; V1957-A1964 PolarHBondContact O-N 2.76Å; V1957-I1965 HydrophobicContact CB-CB 3.94Å; V1957-I1965 HydrophobicContact CB-CG1 4.19Å; V1957-I1965 HydrophobicContact CG2-CB 4.02Å; V1957-I1965 HydrophobicContact CG2-CG1 4.22Å; V1957-I1965 HydrophobicContact CG2-CG2 4.44Å; V1957-I1965 PolarHBondContact N-O 3.07Å; V1957-I1965 VanDerWaalsContact N-O 3.16Å; V1957-I1965 PolarHBondContact O-N 3.1Å; V1957-T1990 HydrophobicContact CB-CG2 3.79Å; V1957-T1990 HydrophobicContact CG1-CG2 3.48Å; V1957-T1990 VanDerWaalsContact CG1-CG2 3.48Å; V1957-T1990 HydrophobicContact CG2-CG2 4.33Å; V1957-N1999 WeakPolarHBondContact CG1-ND2 3.46Å; V1957-S2006 WeakPolarHBondContact CA-O 3.48Å; V1957-V2007 HydrophobicContact CG1-CG2 4.3Å; V1957-V2007 HydrophobicContact CG2-CG1 4.46Å; V1957-V2007 HydrophobicContact CG2-CG2 4.33Å |
| 1958 | Y | 89 | Confident | 89 | Confident | 64 Ų | 64 | 45.6 Ų | 45.6 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 146.7 | 180 | -53.2 | -94.3 | 0 | 0 | 0 | 110.3 | H1956 N1962 E1963 A2005 S2006 | H1956-Y1958 HydrophobicContact CB-CD2 4.41Å; H1956-Y1958 HydrophobicContact CB-CE2 3.55Å; H1956-Y1958 PolarHBondContact ND1-OH 2.86Å; Y1958-N1962 WeakPolarHBondContact CA-O 3.32Å; Y1958-E1963 HydrophobicContact CD1-CB 3.69Å; Y1958-E1963 HydrophobicContact CD1-CG 3.85Å; Y1958-E1963 HydrophobicContact CE1-CB 3.65Å; Y1958-E1963 HydrophobicContact CE1-CG 3.44Å; Y1958-E1963 VanDerWaalsContact CE1-CG 3.44Å; Y1958-E1963 PolarHBondContact OH-OE1 3.23Å; Y1958-A2005 VanDerWaalsContact O-CA 3.3Å; Y1958-A2005 WeakPolarHBondContact O-CA 3.37Å; Y1958-S2006 PolarHBondContact N-O 2.87Å; Y1958-S2006 PolarHBondContact O-N 3.06Å; Y1958-S2006 VanDerWaalsContact O-N 3.08Å |
| 1959 | Y | 83.6 | Confident | 89 | Confident | 58 Ų | 58 | 47.1 Ų | 47.1 | 23% | 0.227 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 94.5 | 166.1 | -67 | -69.5 | 0 | 0 | 0 | 108.7 | N1962 A1964 T1990 N1999 I2002 S2004 A2005 | Y1959-N1962 PolarHBondContact N-O 2.67Å; Y1959-N1962 PolarHBondContact O-N 3.48Å; Y1959-A1964 HydrophobicContact CD2-CB 3.92Å; Y1959-A1964 HydrophobicContact CE2-CB 4.12Å; Y1959-T1990 HydrophobicContact CE2-CG2 3.57Å; Y1959-N1999 PolarHBondContact OH-ND2 2.93Å; Y1959-I2002 HydrophobicContact CD1-CG2 4.16Å; Y1959-I2002 HydrophobicContact CE1-CD1 3.9Å; Y1959-I2002 HydrophobicContact CE1-CG2 4.17Å; Y1959-S2004 CarbonylContact C-O 3.53Å; Y1959-S2004 WeakPolarHBondContact CA-O 3.4Å; Y1959-A2005 HydrophobicContact CD1-CB 3.8Å; Y1959-A2005 HydrophobicContact CE1-CB 3.72Å |
| 1960 | G | 80.5 | Confident | 89.2 | Confident | 43 Ų | 43 | 46.7 Ų | 46.7 | 44% | 0.443 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | -132.8 | -161 | 0 | 0 | 0 | 0 | 0 | 109.9 | N1962 S2004 | G1960-N1962 VanDerWaalsContact C-N 3.28Å; G1960-N1962 PolarHBondContact O-N 3.05Å; G1960-S2004 PolarHBondContact N-O 2.77Å |
| 1961 | D | 78.5 | Confident | 89.2 | Confident | 175 Ų | 175 | 48.1 Ų | 48.1 | 94% | 0.936 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -7.8 | 179.7 | -49 | -59.1 | 0 | 0 | 0 | 113.7 | E1963 | D1961-E1963 PolarHBondContact O-N 3.32Š|
| 1962 | N | 73.9 | Confident | 89.2 | Confident | 112 Ų | 112 | 45.8 Ų | 45.8 | 60% | 0.599 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 108.8 | -178.6 | -172 | 24.2 | 0 | 0 | 0 | 111.7 | Y1958 Y1959 G1960 A1964 | Y1958-N1962 WeakPolarHBondContact CA-O 3.32Å; Y1959-N1962 PolarHBondContact N-O 2.67Å; Y1959-N1962 PolarHBondContact O-N 3.48Å; G1960-N1962 VanDerWaalsContact C-N 3.28Å; G1960-N1962 PolarHBondContact O-N 3.05Å; N1962-A1964 PolarHBondContact O-N 2.93Å |
| 1963 | E | 87.1 | Confident | 89 | Confident | 53 Ų | 53 | 46.4 Ų | 46.4 | 25% | 0.248 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 98.3 | 174.5 | -169.9 | -171.7 | -144.5 | 0 | 0 | 110.8 | H1956 Y1958 D1961 I1965 K1966 | H1956-E1963 IonicContact CE1-OE1 3.96Å; H1956-E1963 PolarHBondContact CE1-OE1 2.86Å; H1956-E1963 IonicContact CG-OE1 3.15Å; H1956-E1963 IonicContact ND1-OE1 2.78Å; H1956-E1963 PolarHBondContact ND1-OE1 3.22Å; Y1958-E1963 HydrophobicContact CD1-CB 3.69Å; Y1958-E1963 HydrophobicContact CD1-CG 3.85Å; Y1958-E1963 HydrophobicContact CE1-CB 3.65Å; Y1958-E1963 HydrophobicContact CE1-CG 3.44Å; Y1958-E1963 VanDerWaalsContact CE1-CG 3.44Å; Y1958-E1963 PolarHBondContact OH-OE1 3.23Å; D1961-E1963 PolarHBondContact O-N 3.32Å; E1963-I1965 WeakPolarHBondContact CG-O 3.09Å; E1963-K1966 HydrophobicContact CG-CG 3.78Å; E1963-K1966 WeakPolarHBondContact O-CE 3.4Å; E1963-K1966 WeakPolarHBondContact OE2-CE 3.49Å; E1963-K1966 WeakPolarHBondContact OE2-CG 3.19Å |
| 1964 | A | 83.8 | Confident | 89.1 | Confident | 18 Ų | 18 | 46.7 Ų | 46.7 | 15% | 0.149 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -20.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1957 Y1959 N1962 T1990 | V1957-A1964 PolarHBondContact O-N 2.76Å; Y1959-A1964 HydrophobicContact CD2-CB 3.92Å; Y1959-A1964 HydrophobicContact CE2-CB 4.12Å; N1962-A1964 PolarHBondContact O-N 2.93Å; A1964-T1990 HydrophobicContact CB-CG2 4.12Å |
| 1965 | I | 92.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 130.7 | 172.7 | -66.3 | -62.8 | 0 | 0 | 0 | 108.3 | L1955 H1956 V1957 E1963 V1968 T1990 Y1991 F2164 G2167 | L1955-I1965 WeakPolarHBondContact O-CG2 3.34Å; H1956-I1965 WeakPolarHBondContact CA-O 3.47Å; V1957-I1965 HydrophobicContact CB-CB 3.94Å; V1957-I1965 HydrophobicContact CB-CG1 4.19Å; V1957-I1965 HydrophobicContact CG2-CB 4.02Å; V1957-I1965 HydrophobicContact CG2-CG1 4.22Å; V1957-I1965 HydrophobicContact CG2-CG2 4.44Å; V1957-I1965 PolarHBondContact N-O 3.07Å; V1957-I1965 VanDerWaalsContact N-O 3.16Å; V1957-I1965 PolarHBondContact O-N 3.1Å; E1963-I1965 WeakPolarHBondContact CG-O 3.09Å; I1965-V1968 HydrophobicContact CG2-CB 3.99Å; I1965-V1968 HydrophobicContact CG2-CG2 3.72Å; I1965-T1990 HydrophobicContact CG1-CG2 3.91Å; I1965-Y1991 HydrophobicContact CG2-CD2 4.23Å; I1965-F2164 HydrophobicContact CD1-CD1 4.47Å; I1965-F2164 HydrophobicContact CD1-CE1 4Å; I1965-G2167 WeakPolarHBondContact CA-O 3.48Å |
| 1966 | K | 91.1 | Very high | 89.2 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 79.1 | -161.7 | -57.3 | -168.3 | 165.7 | 172.1 | 0 | 112.3 | E1963 G2167 H2168 | E1963-K1966 HydrophobicContact CG-CG 3.78Å; E1963-K1966 WeakPolarHBondContact O-CE 3.4Å; E1963-K1966 WeakPolarHBondContact OE2-CE 3.49Å; E1963-K1966 WeakPolarHBondContact OE2-CG 3.19Å; K1966-G2167 PolarHBondContact N-O 2.98Å; K1966-H2168 WeakPolarHBondContact CB-CE1 3.29Å; K1966-H2168 VanDerWaalsContact CB-ND1 3.35Å; K1966-H2168 WeakPolarHBondContact CB-ND1 3.48Å; K1966-H2168 VanDerWaalsContact CD-NE2 3.34Å; K1966-H2168 WeakPolarHBondContact CD-NE2 3.23Å; K1966-H2168 PolarHBondContact O-ND1 3.24Å |
| 1967 | G | 87.5 | Confident | 89.4 | Confident | 30 Ų | 30 | 46.5 Ų | 46.5 | 31% | 0.309 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 61.9 | 69.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1955 H1956 | L1955-G1967 WeakPolarHBondContact O-CA 3.43Å; L1955-G1967 PolarHBondContact O-N 2.82Å; H1956-G1967 PolarHBondContact CE1-N 2.72Å; H1956-G1967 VanDerWaalsContact CE1-N 3.27Å; H1956-G1967 PolarHBondContact ND1-N 3.13Å |
| 1968 | V | 91.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 104.2 | -175.8 | 177.5 | 0 | 0 | 0 | 0 | 112 | T1952 L1955 I1965 L1970 Y1991 F2164 V2169 | T1952-V1968 PolarHBondContact OG1-O 3.28Å; L1955-V1968 WeakPolarHBondContact CB-O 3.48Å; L1955-V1968 PolarHBondContact O-N 3.45Å; I1965-V1968 HydrophobicContact CG2-CB 3.99Å; I1965-V1968 HydrophobicContact CG2-CG2 3.72Å; V1968-L1970 HydrophobicContact CG1-CD1 3.9Å; V1968-L1970 HydrophobicContact CG1-CG 3.83Å; V1968-Y1991 HydrophobicContact CB-CD2 4.18Å; V1968-Y1991 HydrophobicContact CB-CE2 3.99Å; V1968-Y1991 HydrophobicContact CG1-CD2 3.85Å; V1968-Y1991 HydrophobicContact CG1-CE2 3.47Å; V1968-Y1991 VanDerWaalsContact CG1-CE2 3.47Å; V1968-F2164 HydrophobicContact CG1-CE1 4.46Å; V1968-F2164 HydrophobicContact CG1-CZ 4.32Å; V1968-F2164 HydrophobicContact CG2-CE1 4.37Å; V1968-V2169 HydrophobicContact CG1-CG2 3.65Å; V1968-V2169 HydrophobicContact CG2-CG2 4.24Å |
| 1969 | D | 91.8 | Very high | 90 | Very high | 90 Ų | 90 | 43.5 Ų | 43.5 | 48% | 0.481 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 120.9 | 166.5 | -59 | -50.6 | 0 | 0 | 0 | 110 | T1952 E1953 D1954 | T1952-D1969 WeakPolarHBondContact O-CA 3.34Å; E1953-D1969 WeakPolarHBondContact CA-OD1 3.33Å; D1954-D1969 PolarHBondContact N-OD1 2.87Å |
| 1970 | L | 94.4 | Very high | 90.6 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 143.9 | 170.8 | -66.4 | 174.4 | 0 | 0 | 0 | 110.3 | H1951 T1952 V1968 F1972 Y1991 F2164 V2169 Y2172 | H1951-L1970 CarbonylContact C-O 3.51Å; H1951-L1970 VanDerWaalsContact CA-O 3.26Å; H1951-L1970 WeakPolarHBondContact CA-O 3.37Å; H1951-L1970 WeakPolarHBondContact CB-O 3.32Å; T1952-L1970 PolarHBondContact N-O 3.39Å; T1952-L1970 PolarHBondContact OG1-N 3.17Å; V1968-L1970 HydrophobicContact CG1-CD1 3.9Å; V1968-L1970 HydrophobicContact CG1-CG 3.83Å; L1970-F1972 HydrophobicContact CB-CE2 3.97Å; L1970-F1972 HydrophobicContact CB-CZ 4Å; L1970-F1972 HydrophobicContact CD1-CZ 4.06Å; L1970-Y1991 HydrophobicContact CD1-CE1 3.99Å; L1970-Y1991 HydrophobicContact CD1-CE2 4.36Å; L1970-F2164 HydrophobicContact CD1-CE2 4.48Å; L1970-F2164 HydrophobicContact CD1-CZ 4.26Å; L1970-V2169 HydrophobicContact CD1-CG2 4.27Å; L1970-V2169 HydrophobicContact CD2-CG2 4.39Å; L1970-Y2172 HydrophobicContact CD2-CD1 3.34Å; L1970-Y2172 HydrophobicContact CD2-CD2 4.07Å; L1970-Y2172 HydrophobicContact CD2-CE1 3.71Å; L1970-Y2172 HydrophobicContact CD2-CE2 4.39Å; L1970-Y2172 HydrophobicContact CD2-CG 3.52Å |
| 1971 | E | 94.4 | Very high | 91.2 | Very high | 29 Ų | 29 | 38.7 Ų | 38.7 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 139.9 | 174.1 | -68.8 | 170.6 | 176.7 | 0 | 0 | 109.4 | R1943 M1944 I1948 H1951 Y2172 | R1943-E1971 VanDerWaalsContact CA-OE2 3.23Å; R1943-E1971 WeakPolarHBondContact CA-OE2 3.39Å; R1943-E1971 WeakPolarHBondContact CB-OE2 3.39Å; R1943-E1971 WeakPolarHBondContact CD-OE1 3.46Å; R1943-E1971 IonicContact CZ-OE1 2.76Å; R1943-E1971 IonicContact NE-OE1 2.66Å; R1943-E1971 IonicContact NH1-OE1 3.73Å; R1943-E1971 PolarHBondContact NH1-OE1 3.12Å; M1944-E1971 HydrophobicContact CB-CB 4.21Å; M1944-E1971 HydrophobicContact CG-CB 3.62Å; M1944-E1971 WeakPolarHBondContact CG-O 3.32Å; M1944-E1971 PolarHBondContact N-OE2 3.22Å; I1948-E1971 HydrophobicContact CD1-CB 4.34Å; H1951-E1971 HydrophobicContact CB-CB 4.35Å; H1951-E1971 HydrophobicContact CB-CG 3.93Å; E1971-Y2172 PolarHBondContact O-OH 2.51Å |
| 1972 | F | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 113.8 | 179.6 | -61.1 | -83.4 | 0 | 0 | 0 | 111.4 | A1949 L1950 L1970 T1978 Y1991 L1995 I2145 | A1949-F1972 PolarHBondContact N-O 2.81Å; L1950-F1972 HydrophobicContact CD2-CD2 3.79Å; L1950-F1972 HydrophobicContact CD2-CE2 4.14Å; L1950-F1972 WeakPolarHBondContact O-CB 3.3Å; L1950-F1972 PolarHBondContact O-N 2.89Å; L1970-F1972 HydrophobicContact CB-CE2 3.97Å; L1970-F1972 HydrophobicContact CB-CZ 4Å; L1970-F1972 HydrophobicContact CD1-CZ 4.06Å; F1972-T1978 HydrophobicContact CD1-CG2 3.9Å; F1972-T1978 HydrophobicContact CE1-CG2 3.65Å; F1972-Y1991 HydrophobicContact CE2-CE1 4.17Å; F1972-Y1991 WeakPolarHBondContact CE2-OH 3.3Å; F1972-Y1991 AromaticContact CZ-CE1 3.86Å; F1972-Y1991 HydrophobicContact CZ-CE1 3.86Å; F1972-L1995 HydrophobicContact CE2-CD1 4.41Å; F1972-I2145 HydrophobicContact CB-CD1 4.28Å; F1972-I2145 HydrophobicContact CD1-CD1 3.55Å; F1972-I2145 HydrophobicContact CD1-CG1 3.76Å; F1972-I2145 HydrophobicContact CD1-CG2 4.39Å; F1972-I2145 HydrophobicContact CD2-CD1 3.86Å; F1972-I2145 HydrophobicContact CE1-CD1 3.77Å; F1972-I2145 HydrophobicContact CE1-CG1 4.03Å; F1972-I2145 HydrophobicContact CE1-CG2 3.82Å; F1972-I2145 HydrophobicContact CE2-CD1 4.07Å; F1972-I2145 HydrophobicContact CG-CD1 3.61Å; F1972-I2145 HydrophobicContact CG-CG1 4.23Å; F1972-I2145 HydrophobicContact CZ-CD1 4.04Å; F1972-I2145 HydrophobicContact CZ-CG2 4.33Å |
| 1973 | E | 92.1 | Very high | 91.8 | Very high | 17 Ų | 17 | 26.5 Ų | 26.5 | 8% | 0.079 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 139.2 | 175 | -176.3 | -175.7 | 150.9 | 0 | 0 | 111.7 | M1944 R1976 T2143 Y2160 | M1944-E1973 HydrophobicContact CB-CB 4.39Å; M1944-E1973 HydrophobicContact CG-CB 4.48Å; M1944-E1973 HydrophobicContact SD-CB 4.43Å; E1973-R1976 HydrophobicContact CB-CG 3.89Å; E1973-R1976 HydrophobicContact CG-CG 3.79Å; E1973-R1976 IonicContact OE1-CZ 3.77Å; E1973-R1976 IonicContact OE1-NE 2.69Å; E1973-R1976 PolarHBondContact OE1-NE 3.09Å; E1973-R1976 IonicContact OE1-NH2 2.74Å; E1973-R1976 PolarHBondContact OE1-NH2 3.29Å; E1973-T2143 WeakPolarHBondContact O-CG2 3.4Å; E1973-Y2160 HydrophobicContact CB-CE2 4.05Å; E1973-Y2160 WeakPolarHBondContact OE2-CE2 3.48Å; E1973-Y2160 PolarHBondContact OE2-OH 2.75Å |
| 1974 | K | 93.5 | Very high | 91.1 | Very high | 82 Ų | 82 | 28.9 Ų | 28.9 | 36% | 0.357 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 137.7 | 179.7 | -177.3 | 179.4 | 174.4 | -173.9 | 0 | 112.8 | E1947 A1949 R1976 T2143 | E1947-K1974 HydrophobicContact CB-CB 4.4Å; E1947-K1974 HydrophobicContact CB-CD 4.27Å; E1947-K1974 HydrophobicContact CG-CD 4.07Å; E1947-K1974 WeakPolarHBondContact O-CB 3.49Å; E1947-K1974 PolarHBondContact O-N 3.17Å; E1947-K1974 WeakPolarHBondContact OE1-CD 3.49Å; E1947-K1974 IonicContact OE1-NZ 3.55Å; E1947-K1974 PolarHBondContact OE1-NZ 3.02Å; E1947-K1974 WeakPolarHBondContact OE2-CD 2.98Å; E1947-K1974 IonicContact OE2-NZ 3.54Å; E1947-K1974 PolarHBondContact OE2-NZ 2.87Å; A1949-K1974 HydrophobicContact CB-CB 4.08Å; K1974-R1976 VanDerWaalsContact C-N 3.33Å; K1974-R1976 PolarHBondContact O-N 2.74Å; K1974-T2143 WeakPolarHBondContact CA-OG1 3.38Å |
| 1975 | N | 94.4 | Very high | 90.7 | Very high | 44 Ų | 44 | 32 Ų | 32 | 24% | 0.235 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 45.7 | 179.3 | -64.5 | 26.9 | 0 | 0 | 0 | 112.7 | K2139 E2140 T2143 | N1975-K2139 CarbonylContact C-O 3.48Å; N1975-K2139 WeakPolarHBondContact CA-O 3.37Å; N1975-K2139 VanDerWaalsContact CB-O 3.31Å; N1975-K2139 WeakPolarHBondContact CB-O 3.43Å; N1975-E2140 PolarHBondContact ND2-O 3.34Å; N1975-T2143 PolarHBondContact N-OG1 3.17Å |
| 1976 | R | 93.7 | Very high | 90 | Very high | 87 Ų | 87 | 32.2 Ų | 32.2 | 33% | 0.328 | 19% | 0.194 | S | C | . | . | trans | -129.5 | 161.1 | 171.5 | -62.5 | -67.2 | 174.8 | -104.6 | -4.6 | 110.5 | E1973 K1974 I2144 D2159 Y2160 | E1973-R1976 HydrophobicContact CB-CG 3.89Å; E1973-R1976 HydrophobicContact CG-CG 3.79Å; E1973-R1976 IonicContact OE1-CZ 3.77Å; E1973-R1976 IonicContact OE1-NE 2.69Å; E1973-R1976 PolarHBondContact OE1-NE 3.09Å; E1973-R1976 IonicContact OE1-NH2 2.74Å; E1973-R1976 PolarHBondContact OE1-NH2 3.29Å; K1974-R1976 VanDerWaalsContact C-N 3.33Å; K1974-R1976 PolarHBondContact O-N 2.74Å; R1976-I2144 PolarHBondContact O-N 3.07Å; R1976-D2159 WeakPolarHBondContact CA-OD2 3.35Å; R1976-D2159 HydrophobicContact CB-CB 4.19Å; R1976-D2159 HydrophobicContact CG-CB 4.49Å; R1976-Y2160 HydrophobicContact CG-CE2 4.21Å | ||
| 1977 | I | 97 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.5 | 168.1 | -62.7 | 167.4 | 0 | 0 | 0 | 108.5 | L2135 K2139 I2144 I2146 I2157 S2158 D2159 Y2160 | I1977-L2135 HydrophobicContact CD1-CB 4.48Å; I1977-K2139 HydrophobicContact CD1-CB 3.94Å; I1977-K2139 HydrophobicContact CD1-CD 3.67Å; I1977-K2139 HydrophobicContact CD1-CG 4.42Å; I1977-K2139 HydrophobicContact CG1-CB 3.75Å; I1977-K2139 HydrophobicContact CG1-CD 3.86Å; I1977-K2139 HydrophobicContact CG1-CG 4.48Å; I1977-I2144 CarbonylContact C-O 3.53Å; I1977-I2144 WeakPolarHBondContact CA-O 3.2Å; I1977-I2144 HydrophobicContact CB-CB 4.4Å; I1977-I2144 HydrophobicContact CB-CG2 4.41Å; I1977-I2144 HydrophobicContact CD1-CD1 4.49Å; I1977-I2144 HydrophobicContact CG1-CB 3.84Å; I1977-I2144 HydrophobicContact CG1-CD1 4.03Å; I1977-I2144 HydrophobicContact CG1-CG1 4.47Å; I1977-I2144 HydrophobicContact CG1-CG2 3.98Å; I1977-I2144 HydrophobicContact CG2-CG2 4.09Å; I1977-I2146 HydrophobicContact CG2-CG2 3.8Å; I1977-I2157 HydrophobicContact CD1-CB 4.41Å; I1977-I2157 WeakPolarHBondContact CD1-O 3.35Å; I1977-I2157 HydrophobicContact CG2-CG1 4.36Å; I1977-S2158 CarbonylContact O-C 3.59Å; I1977-S2158 WeakPolarHBondContact O-CA 3.43Å; I1977-S2158 WeakPolarHBondContact O-CB 3.2Å; I1977-D2159 PolarHBondContact N-OD2 2.95Å; I1977-D2159 PolarHBondContact O-N 2.9Å; I1977-Y2160 PolarHBondContact O-N 3.42Å |
| 1978 | T | 97.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.8 | 171.8 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | F1972 L1980 I2144 I2145 I2146 Y2160 Y2172 | F1972-T1978 HydrophobicContact CD1-CG2 3.9Å; F1972-T1978 HydrophobicContact CE1-CG2 3.65Å; T1978-L1980 HydrophobicContact CG2-CD2 4.41Å; T1978-I2144 PolarHBondContact N-O 3.04Å; T1978-I2145 WeakPolarHBondContact O-CA 3.39Å; T1978-I2146 WeakPolarHBondContact O-CG2 3.2Å; T1978-I2146 PolarHBondContact O-N 2.94Å; T1978-Y2160 CarbonylContact C-O 3.55Å; T1978-Y2160 WeakPolarHBondContact CA-O 3.33Å; T1978-Y2172 HydrophobicContact CG2-CE2 3.77Å |
| 1979 | A | 96.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 137.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1981 I2146 A2154 S2158 Y2160 T2161 A2162 | A1979-I1981 HydrophobicContact CB-CG2 4.45Å; A1979-I2146 CarbonylContact C-O 3.54Å; A1979-I2146 VanDerWaalsContact CA-O 3.29Å; A1979-I2146 WeakPolarHBondContact CA-O 3.42Å; A1979-I2146 HydrophobicContact CB-CG2 4.06Å; A1979-A2154 HydrophobicContact CB-CB 3.74Å; A1979-S2158 VanDerWaalsContact CB-OG 3.23Å; A1979-S2158 WeakPolarHBondContact CB-OG 3.49Å; A1979-Y2160 PolarHBondContact N-O 2.88Å; A1979-T2161 CarbonylContact O-C 3.46Å; A1979-T2161 WeakPolarHBondContact O-CA 3.43Å; A1979-A2162 PolarHBondContact O-N 3.12Å |
| 1980 | L | 96.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.9 | 170.3 | -42.2 | -177.2 | 0 | 0 | 0 | 108.1 | T1978 K1988 Y1991 I2145 I2146 V2147 T2148 A2162 F2164 | T1978-L1980 HydrophobicContact CG2-CD2 4.41Å; L1980-K1988 HydrophobicContact CB-CB 4.42Å; L1980-Y1991 HydrophobicContact CD1-CD1 3.84Å; L1980-Y1991 HydrophobicContact CD1-CE1 4.47Å; L1980-I2145 HydrophobicContact CD1-CG2 4.34Å; L1980-I2145 HydrophobicContact CG-CG2 4.38Å; L1980-I2146 PolarHBondContact N-O 2.6Å; L1980-V2147 HydrophobicContact CB-CG2 4.24Å; L1980-V2147 HydrophobicContact CD1-CG2 4.01Å; L1980-V2147 HydrophobicContact CG-CG2 4.44Å; L1980-T2148 PolarHBondContact O-N 2.93Å; L1980-A2162 HydrophobicContact CD2-CB 3.89Å; L1980-F2164 HydrophobicContact CB-CD2 4.4Å; L1980-F2164 HydrophobicContact CB-CE2 4.14Å; L1980-F2164 HydrophobicContact CD1-CE2 4.39Å; L1980-F2164 HydrophobicContact CD2-CE2 4.14Å; L1980-F2164 HydrophobicContact CG-CE2 4.44Å |
| 1981 | I | 93.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 164.9 | -174 | 65.2 | 165.2 | 0 | 0 | 0 | 112 | A1979 K1988 T2148 M2151 A2154 T2161 A2162 F2163 F2164 I2178 F2179 | A1979-I1981 HydrophobicContact CB-CG2 4.45Å; I1981-K1988 VanDerWaalsContact C-CD 3.42Å; I1981-T2148 HydrophobicContact CG2-CG2 4.15Å; I1981-M2151 HydrophobicContact CD1-CE 4.03Å; I1981-A2154 HydrophobicContact CG2-CB 3.84Å; I1981-T2161 HydrophobicContact CD1-CG2 3.53Å; I1981-T2161 HydrophobicContact CG1-CG2 3.66Å; I1981-T2161 HydrophobicContact CG2-CG2 4.22Å; I1981-A2162 WeakPolarHBondContact CG1-O 3.44Å; I1981-A2162 PolarHBondContact N-O 3.14Å; I1981-F2163 HydrophobicContact CD1-CB 4.46Å; I1981-F2163 HydrophobicContact CG1-CB 4.2Å; I1981-F2163 HydrophobicContact CG1-CD2 4.33Å; I1981-F2164 PolarHBondContact O-N 3.35Å; I1981-I2178 HydrophobicContact CD1-CG2 4.29Å; I1981-F2179 HydrophobicContact CD1-CE2 4.47Å; I1981-F2179 HydrophobicContact CD1-CZ 4Å |
| 1982 | G | 86.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | 133 | 175.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K1988 H2149 Y2190 | G1982-K1988 PolarHBondContact O-NZ 3.36Å; G1982-H2149 PolarHBondContact O-CE1 3.46Å; G1982-H2149 PolarHBondContact O-ND1 2.96Å; G1982-Y2190 WeakPolarHBondContact CA-OH 3.37Å; G1982-Y2190 PolarHBondContact O-OH 3.21Å | ||
| 1983 | P | 77.7 | Confident | 89 | Confident | 31 Ų | 31 | 29.1 Ų | 29.1 | 20% | 0.201 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -56.6 | 165.8 | -174.1 | -28 | 36.2 | 0 | 0 | 0 | 115.5 | C1986 K1988 Y2165 Y2190 | P1983-C1986 PolarHBondContact O-N 2.88Å; P1983-C1986 PolarHBondContact O-SG 3.25Å; P1983-K1988 PolarHBondContact O-NZ 2.87Å; P1983-Y2165 HydrophobicContact CG-CD2 4.07Å; P1983-Y2165 HydrophobicContact CG-CE2 4.39Å; P1983-Y2190 HydrophobicContact CG-CD2 4.24Å; P1983-Y2190 HydrophobicContact CG-CE2 3.75Å |
| 1984 | S | 73.6 | Confident | 89 | Confident | 104 Ų | 104 | 28.3 Ų | 28.3 | 73% | 0.727 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 142.3 | 175.9 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | C1986 H2149 | S1984-C1986 VanDerWaalsContact C-N 3.3Å; S1984-C1986 PolarHBondContact O-N 3.22Å; S1984-H2149 PolarHBondContact N-CE1 2.83Å; S1984-H2149 PolarHBondContact OG-CE1 3.01Å |
| 1985 | G | 73.8 | Confident | 88.9 | Confident | 83 Ų | 83 | 24.4 Ų | 24.4 | 86% | 0.856 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | -4.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | G1987 | G1985-G1987 PolarHBondContact O-N 2.84Š|
| 1986 | C | 79.1 | Confident | 88.7 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 3% | 0.027 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -73.9 | 5.9 | -175.8 | 71.7 | 0 | 0 | 0 | 0 | 116.7 | P1983 S1984 K1988 F2164 G2167 | P1983-C1986 PolarHBondContact O-N 2.88Å; P1983-C1986 PolarHBondContact O-SG 3.25Å; S1984-C1986 VanDerWaalsContact C-N 3.3Å; S1984-C1986 PolarHBondContact O-N 3.22Å; C1986-K1988 VanDerWaalsContact SG-CG 3.56Å; C1986-F2164 HydrophobicContact CB-CB 4.2Å; C1986-F2164 WeakPolarHBondContact CB-O 3.18Å; C1986-F2164 WeakPolarHBondContact SG-CB 3.47Å; C1986-F2164 PolarHBondContact SG-O 3.42Å; C1986-G2167 WeakPolarHBondContact O-CA 3.35Å; C1986-G2167 PolarHBondContact O-N 2.84Å |
| 1987 | G | 83.5 | Confident | 88.5 | Confident | 9 Ų | 9 | 20.2 Ų | 20.2 | 9% | 0.093 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 109.5 | -21.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | G1985 S1989 T1990 Y1991 | G1985-G1987 PolarHBondContact O-N 2.84Å; G1987-S1989 PolarHBondContact O-N 3.03Å; G1987-S1989 VanDerWaalsContact O-N 3.12Å; G1987-T1990 WeakPolarHBondContact O-CA 3.27Å; G1987-T1990 WeakPolarHBondContact O-CB 3.04Å; G1987-T1990 PolarHBondContact O-N 3.38Å; G1987-Y1991 PolarHBondContact O-N 2.97Å; G1987-Y1991 VanDerWaalsContact O-N 3.1Å |
| 1988 | K | 91.2 | Very high | 87.9 | Confident | 8 Ų | 8 | 23.6 Ų | 23.6 | 4% | 0.035 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -38.9 | -57.4 | -169.8 | -49 | -176.6 | -60.5 | -76.2 | 0 | 116.2 | L1980 I1981 G1982 P1983 C1986 T1990 Y1991 L1992 V2147 H2149 F2164 | L1980-K1988 HydrophobicContact CB-CB 4.42Å; I1981-K1988 VanDerWaalsContact C-CD 3.42Å; G1982-K1988 PolarHBondContact O-NZ 3.36Å; P1983-K1988 PolarHBondContact O-NZ 2.87Å; C1986-K1988 VanDerWaalsContact SG-CG 3.56Å; K1988-T1990 VanDerWaalsContact C-N 3.33Å; K1988-T1990 PolarHBondContact O-N 2.82Å; K1988-Y1991 WeakPolarHBondContact O-CB 3.41Å; K1988-Y1991 PolarHBondContact O-N 2.91Å; K1988-L1992 PolarHBondContact O-N 2.88Å; K1988-V2147 HydrophobicContact CB-CG1 3.65Å; K1988-V2147 HydrophobicContact CB-CG2 4.06Å; K1988-V2147 HydrophobicContact CD-CG1 4.24Å; K1988-H2149 PolarHBondContact NZ-CE1 3.34Å; K1988-H2149 PolarHBondContact NZ-NE2 3.29Å; K1988-F2164 HydrophobicContact CG-CB 3.98Å; K1988-F2164 HydrophobicContact CG-CD2 4.26Å; K1988-F2164 HydrophobicContact CG-CG 4.13Å |
| 1989 | S | 85.4 | Confident | 87.2 | Confident | 30 Ų | 30 | 23.7 Ų | 23.7 | 21% | 0.21 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.1 | -26.8 | -178.6 | -54.9 | 0 | 0 | 0 | 0 | 113.5 | G1987 R1993 D2117 | G1987-S1989 PolarHBondContact O-N 3.03Å; G1987-S1989 VanDerWaalsContact O-N 3.12Å; S1989-R1993 WeakPolarHBondContact O-CB 3.37Å; S1989-R1993 WeakPolarHBondContact O-CD 3.39Å; S1989-R1993 WeakPolarHBondContact O-CG 3.39Å; S1989-R1993 PolarHBondContact O-N 2.77Å; S1989-R1993 VanDerWaalsContact O-N 3.16Å; S1989-D2117 WeakPolarHBondContact CB-OD1 3.23Å; S1989-D2117 PolarHBondContact OG-OD1 3.25Å |
| 1990 | T | 87.7 | Confident | 86.3 | Confident | 22 Ų | 22 | 27.5 Ų | 27.5 | 14% | 0.135 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.7 | -48.8 | 170.6 | -59.3 | 0 | 0 | 0 | 0 | 110.1 | V1957 Y1959 A1964 I1965 G1987 K1988 R1993 S1994 | V1957-T1990 HydrophobicContact CB-CG2 3.79Å; V1957-T1990 HydrophobicContact CG1-CG2 3.48Å; V1957-T1990 VanDerWaalsContact CG1-CG2 3.48Å; V1957-T1990 HydrophobicContact CG2-CG2 4.33Å; Y1959-T1990 HydrophobicContact CE2-CG2 3.57Å; A1964-T1990 HydrophobicContact CB-CG2 4.12Å; I1965-T1990 HydrophobicContact CG1-CG2 3.91Å; G1987-T1990 WeakPolarHBondContact O-CA 3.27Å; G1987-T1990 WeakPolarHBondContact O-CB 3.04Å; G1987-T1990 PolarHBondContact O-N 3.38Å; K1988-T1990 VanDerWaalsContact C-N 3.33Å; K1988-T1990 PolarHBondContact O-N 2.82Å; T1990-R1993 PolarHBondContact O-N 3.22Å; T1990-S1994 PolarHBondContact O-N 3.19Å; T1990-S1994 PolarHBondContact O-OG 3.26Å; T1990-S1994 VanDerWaalsContact O-OG 3.05Å |
| 1991 | Y | 94.2 | Very high | 85 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.9 | -49.5 | 177 | -178.2 | -88.3 | 0 | 0 | 0 | 111.5 | T1952 L1955 I1965 V1968 L1970 F1972 L1980 G1987 K1988 R1993 S1994 L1995 F2164 | T1952-Y1991 HydrophobicContact CG2-CE2 4.34Å; T1952-Y1991 WeakPolarHBondContact CG2-OH 3.36Å; T1952-Y1991 PolarHBondContact OG1-OH 2.74Å; L1955-Y1991 HydrophobicContact CD2-CD2 3.75Å; L1955-Y1991 HydrophobicContact CD2-CE2 3.54Å; I1965-Y1991 HydrophobicContact CG2-CD2 4.23Å; V1968-Y1991 HydrophobicContact CB-CD2 4.18Å; V1968-Y1991 HydrophobicContact CB-CE2 3.99Å; V1968-Y1991 HydrophobicContact CG1-CD2 3.85Å; V1968-Y1991 HydrophobicContact CG1-CE2 3.47Å; V1968-Y1991 VanDerWaalsContact CG1-CE2 3.47Å; L1970-Y1991 HydrophobicContact CD1-CE1 3.99Å; L1970-Y1991 HydrophobicContact CD1-CE2 4.36Å; F1972-Y1991 HydrophobicContact CE2-CE1 4.17Å; F1972-Y1991 WeakPolarHBondContact CE2-OH 3.3Å; F1972-Y1991 AromaticContact CZ-CE1 3.86Å; F1972-Y1991 HydrophobicContact CZ-CE1 3.86Å; L1980-Y1991 HydrophobicContact CD1-CD1 3.84Å; L1980-Y1991 HydrophobicContact CD1-CE1 4.47Å; G1987-Y1991 PolarHBondContact O-N 2.97Å; G1987-Y1991 VanDerWaalsContact O-N 3.1Å; K1988-Y1991 WeakPolarHBondContact O-CB 3.41Å; K1988-Y1991 PolarHBondContact O-N 2.91Å; Y1991-R1993 VanDerWaalsContact C-N 3.31Å; Y1991-R1993 PolarHBondContact O-N 3.02Å; Y1991-S1994 WeakPolarHBondContact CA-OG 3.37Å; Y1991-S1994 PolarHBondContact O-N 3.42Å; Y1991-S1994 PolarHBondContact O-OG 3.06Å; Y1991-L1995 HydrophobicContact CE1-CD1 4.03Å; Y1991-L1995 HydrophobicContact CE1-CD2 3.93Å; Y1991-L1995 HydrophobicContact CE1-CG 4.31Å; Y1991-F2164 HydrophobicContact CD1-CZ 4.4Å; Y1991-F2164 HydrophobicContact CD2-CZ 4.39Å; Y1991-F2164 HydrophobicContact CG-CE1 4.47Å; Y1991-F2164 HydrophobicContact CG-CZ 4.09Å |
| 1992 | L | 93.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.3 | -41.7 | 179.2 | -168.7 | 79.3 | 0 | 0 | 0 | 112.4 | K1988 S1994 L1995 M2034 L2115 D2117 I2145 V2147 | K1988-L1992 PolarHBondContact O-N 2.88Å; L1992-S1994 PolarHBondContact O-N 2.82Å; L1992-L1995 PolarHBondContact O-N 2.94Å; L1992-M2034 HydrophobicContact CD2-CE 4.33Å; L1992-L2115 HydrophobicContact CD1-CB 4.09Å; L1992-L2115 HydrophobicContact CD1-CD2 4.05Å; L1992-L2115 HydrophobicContact CD2-CB 4.34Å; L1992-L2115 HydrophobicContact CG-CB 4.16Å; L1992-D2117 HydrophobicContact CD2-CB 3.86Å; L1992-I2145 HydrophobicContact CD1-CB 4Å; L1992-I2145 HydrophobicContact CD1-CG2 3.62Å; L1992-V2147 HydrophobicContact CB-CG2 3.9Å; L1992-V2147 HydrophobicContact CD1-CG2 4.4Å; L1992-V2147 HydrophobicContact CD2-CG2 3.91Å; L1992-V2147 HydrophobicContact CG-CG2 4.28Å |
| 1993 | R | 89.9 | Confident | 83.3 | Confident | 89 Ų | 89 | 40.1 Ų | 40.1 | 34% | 0.336 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72.3 | -25.5 | -177.8 | -69.9 | 164.8 | -166.1 | -176.9 | 5.8 | 113.3 | S1989 T1990 Y1991 L1995 N1996 R1997 M1998 N1999 M2034 D2117 | S1989-R1993 WeakPolarHBondContact O-CB 3.37Å; S1989-R1993 WeakPolarHBondContact O-CD 3.39Å; S1989-R1993 WeakPolarHBondContact O-CG 3.39Å; S1989-R1993 PolarHBondContact O-N 2.77Å; S1989-R1993 VanDerWaalsContact O-N 3.16Å; T1990-R1993 PolarHBondContact O-N 3.22Å; Y1991-R1993 VanDerWaalsContact C-N 3.31Å; Y1991-R1993 PolarHBondContact O-N 3.02Å; R1993-L1995 VanDerWaalsContact C-N 3.31Å; R1993-L1995 PolarHBondContact O-N 2.78Å; R1993-N1996 PolarHBondContact O-OD1 3.41Å; R1993-R1997 PolarHBondContact O-N 2.88Å; R1993-M1998 HydrophobicContact CB-CB 4.19Å; R1993-M1998 PolarHBondContact O-N 3.3Å; R1993-N1999 WeakPolarHBondContact CB-OD1 3.47Å; R1993-N1999 PolarHBondContact O-OD1 2.88Å; R1993-N1999 VanDerWaalsContact O-OD1 3.13Å; R1993-M2034 HydrophobicContact CG-CE 3.93Å; R1993-D2117 IonicContact CZ-OD2 2.65Å; R1993-D2117 VanDerWaalsContact CZ-OD2 3.26Å; R1993-D2117 IonicContact NE-OD2 2.58Å; R1993-D2117 PolarHBondContact NE-OD2 2.99Å; R1993-D2117 IonicContact NH2-OD2 3.66Å; R1993-D2117 PolarHBondContact NH2-OD2 3.41Å |
| 1994 | S | 91.1 | Very high | 83.3 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.2 | -35.3 | 172.6 | 11.5 | 0 | 0 | 0 | 0 | 112.2 | T1990 Y1991 L1992 N1996 R1997 N1999 I2011 | T1990-S1994 PolarHBondContact O-N 3.19Å; T1990-S1994 PolarHBondContact O-OG 3.26Å; T1990-S1994 VanDerWaalsContact O-OG 3.05Å; Y1991-S1994 WeakPolarHBondContact CA-OG 3.37Å; Y1991-S1994 PolarHBondContact O-N 3.42Å; Y1991-S1994 PolarHBondContact O-OG 3.06Å; L1992-S1994 PolarHBondContact O-N 2.82Å; S1994-N1996 PolarHBondContact O-N 2.98Å; S1994-N1996 VanDerWaalsContact O-N 3.09Å; S1994-R1997 PolarHBondContact O-N 3.28Å; S1994-N1999 PolarHBondContact N-OD1 3.43Å; S1994-N1999 VanDerWaalsContact N-OD1 3.14Å; S1994-I2011 VanDerWaalsContact O-CD1 3.26Å; S1994-I2011 WeakPolarHBondContact O-CD1 3.36Å |
| 1995 | L | 93.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.1 | -171.8 | -52.9 | -173.2 | 0 | 0 | 0 | 114.5 | L1950 T1952 F1972 Y1991 L1992 R1993 I2011 L2115 I2145 | L1950-L1995 HydrophobicContact CD1-CB 4.4Å; L1950-L1995 HydrophobicContact CD2-CD1 4.39Å; L1950-L1995 HydrophobicContact CD2-CD2 4.03Å; T1952-L1995 HydrophobicContact CG2-CD2 3.64Å; F1972-L1995 HydrophobicContact CE2-CD1 4.41Å; Y1991-L1995 HydrophobicContact CE1-CD1 4.03Å; Y1991-L1995 HydrophobicContact CE1-CD2 3.93Å; Y1991-L1995 HydrophobicContact CE1-CG 4.31Å; L1992-L1995 PolarHBondContact O-N 2.94Å; R1993-L1995 VanDerWaalsContact C-N 3.31Å; R1993-L1995 PolarHBondContact O-N 2.78Å; L1995-I2011 HydrophobicContact CD2-CG2 4.25Å; L1995-L2115 HydrophobicContact CB-CD1 4Å; L1995-L2115 HydrophobicContact CB-CD2 4.5Å; L1995-L2115 HydrophobicContact CD1-CD2 4.11Å; L1995-I2145 HydrophobicContact CD1-CD1 3.7Å |
| 1996 | N | 90.1 | Very high | 84.3 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | 21.9 | 172.7 | 70.5 | -7.7 | 0 | 0 | 0 | 112.9 | R1993 S1994 M1998 M2028 R2029 I2032 M2034 L2115 | R1993-N1996 PolarHBondContact O-OD1 3.41Å; S1994-N1996 PolarHBondContact O-N 2.98Å; S1994-N1996 VanDerWaalsContact O-N 3.09Å; N1996-M1998 VanDerWaalsContact C-N 3.26Å; N1996-M1998 PolarHBondContact O-N 3.36Å; N1996-M1998 WeakPolarHBondContact OD1-CG 3.3Å; N1996-M2028 HydrophobicContact CB-SD 4.34Å; N1996-R2029 HydrophobicContact CB-CG 4.38Å; N1996-R2029 PolarHBondContact O-NE 3.02Å; N1996-I2032 HydrophobicContact CB-CB 4.15Å; N1996-I2032 HydrophobicContact CB-CG2 3.81Å; N1996-M2034 WeakPolarHBondContact ND2-CB 3.31Å; N1996-L2115 HydrophobicContact CB-CD1 3.95Å |
| 1997 | R | 88.2 | Confident | 84.8 | Confident | 39 Ų | 39 | 38.8 Ų | 38.8 | 15% | 0.147 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 38.5 | 177.8 | -79.9 | 176.2 | 62.5 | 172.9 | 4.1 | 113.8 | R1993 S1994 N1999 D2000 V2018 N2019 A2020 M2028 R2029 | R1993-R1997 PolarHBondContact O-N 2.88Å; S1994-R1997 PolarHBondContact O-N 3.28Å; R1997-N1999 PolarHBondContact O-N 3.25Å; R1997-D2000 VanDerWaalsContact CB-OD1 3.28Å; R1997-D2000 WeakPolarHBondContact CB-OD1 3.25Å; R1997-D2000 IonicContact CZ-OD2 3.9Å; R1997-D2000 VanDerWaalsContact CZ-OD2 3.25Å; R1997-D2000 IonicContact NE-OD1 2.74Å; R1997-D2000 IonicContact NE-OD2 3.14Å; R1997-D2000 PolarHBondContact NE-OD2 3.32Å; R1997-D2000 IonicContact NH2-OD2 3.4Å; R1997-D2000 PolarHBondContact NH2-OD2 2.91Å; R1997-V2018 WeakPolarHBondContact CD-O 3.39Å; R1997-V2018 HydrophobicContact CG-CG1 4.03Å; R1997-V2018 PolarHBondContact NH1-O 3.41Å; R1997-N2019 PolarHBondContact NH1-O 3.29Å; R1997-A2020 PolarHBondContact NH1-O 3.04Å; R1997-M2028 HydrophobicContact CB-CE 4.24Å; R1997-R2029 PolarHBondContact O-NH2 3.25Å |
| 1998 | M | 85.2 | Confident | 85.1 | Confident | 71 Ų | 71 | 41.7 Ų | 41.7 | 35% | 0.35 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -70.8 | -17.5 | 173.3 | -81.1 | -68.7 | -61.9 | 0 | 0 | 112.4 | R1993 N1996 D2000 M2034 F2036 | R1993-M1998 HydrophobicContact CB-CB 4.19Å; R1993-M1998 PolarHBondContact O-N 3.3Å; N1996-M1998 VanDerWaalsContact C-N 3.26Å; N1996-M1998 PolarHBondContact O-N 3.36Å; N1996-M1998 WeakPolarHBondContact OD1-CG 3.3Å; M1998-D2000 VanDerWaalsContact C-N 3.34Å; M1998-M2034 HydrophobicContact CG-SD 4.16Å; M1998-F2036 HydrophobicContact CE-CE1 4.17Å; M1998-F2036 HydrophobicContact CE-CZ 4Å |
| 1999 | N | 81.3 | Confident | 85 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -68.7 | -28.2 | 176.7 | -60.3 | 44.9 | 0 | 0 | 0 | 112.9 | V1957 Y1959 R1993 S1994 R1997 G2001 I2002 A2005 V2007 | V1957-N1999 WeakPolarHBondContact CG1-ND2 3.46Å; Y1959-N1999 PolarHBondContact OH-ND2 2.93Å; R1993-N1999 WeakPolarHBondContact CB-OD1 3.47Å; R1993-N1999 PolarHBondContact O-OD1 2.88Å; R1993-N1999 VanDerWaalsContact O-OD1 3.13Å; S1994-N1999 PolarHBondContact N-OD1 3.43Å; S1994-N1999 VanDerWaalsContact N-OD1 3.14Å; R1997-N1999 PolarHBondContact O-N 3.25Å; N1999-G2001 PolarHBondContact O-N 2.73Å; N1999-I2002 WeakPolarHBondContact O-CB 3.27Å; N1999-I2002 PolarHBondContact O-N 3.21Å; N1999-A2005 HydrophobicContact CB-CB 4.23Å; N1999-V2007 HydrophobicContact CB-CG2 4.39Å |
| 2000 | D | 77.8 | Confident | 85.3 | Confident | 80 Ų | 80 | 45.9 Ų | 45.9 | 43% | 0.428 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -54.3 | -20.1 | -179 | -65.7 | 38 | 0 | 0 | 0 | 114.4 | R1997 M1998 I2002 | R1997-D2000 VanDerWaalsContact CB-OD1 3.28Å; R1997-D2000 WeakPolarHBondContact CB-OD1 3.25Å; R1997-D2000 IonicContact CZ-OD2 3.9Å; R1997-D2000 VanDerWaalsContact CZ-OD2 3.25Å; R1997-D2000 IonicContact NE-OD1 2.74Å; R1997-D2000 IonicContact NE-OD2 3.14Å; R1997-D2000 PolarHBondContact NE-OD2 3.32Å; R1997-D2000 IonicContact NH2-OD2 3.4Å; R1997-D2000 PolarHBondContact NH2-OD2 2.91Å; M1998-D2000 VanDerWaalsContact C-N 3.34Å; D2000-I2002 VanDerWaalsContact C-N 3.34Å |
| 2001 | G | 68.8 | Low | 85.6 | Confident | 74 Ų | 74 | 44.8 Ų | 44.8 | 76% | 0.763 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -81.4 | -6.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N1999 | N1999-G2001 PolarHBondContact O-N 2.73Š|
| 2002 | I | 76 | Confident | 85.5 | Confident | 73 Ų | 73 | 45.7 Ų | 45.7 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -104.9 | 110.4 | -176.4 | -59.5 | 170.1 | 0 | 0 | 0 | 108 | Y1959 N1999 D2000 S2004 A2005 | Y1959-I2002 HydrophobicContact CD1-CG2 4.16Å; Y1959-I2002 HydrophobicContact CE1-CD1 3.9Å; Y1959-I2002 HydrophobicContact CE1-CG2 4.17Å; N1999-I2002 WeakPolarHBondContact O-CB 3.27Å; N1999-I2002 PolarHBondContact O-N 3.21Å; D2000-I2002 VanDerWaalsContact C-N 3.34Å; I2002-S2004 PolarHBondContact O-N 3.05Å; I2002-A2005 HydrophobicContact CB-CB 3.85Å; I2002-A2005 HydrophobicContact CG2-CB 4.02Å; I2002-A2005 WeakPolarHBondContact O-CB 3.47Å; I2002-A2005 PolarHBondContact O-N 3.02Å |
| 2003 | A | 68.4 | Low | 85.5 | Confident | 118 Ų | 118 | 46.9 Ų | 46.9 | 98% | 0.975 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -14.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 2004 | S | 78.6 | Confident | 85.2 | Confident | 68 Ų | 68 | 48.3 Ų | 48.3 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -4.2 | 172.9 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | Y1959 G1960 I2002 | Y1959-S2004 CarbonylContact C-O 3.53Å; Y1959-S2004 WeakPolarHBondContact CA-O 3.4Å; G1960-S2004 PolarHBondContact N-O 2.77Å; I2002-S2004 PolarHBondContact O-N 3.05Å |
| 2005 | A | 82.2 | Confident | 84.9 | Confident | 27 Ų | 27 | 55.9 Ų | 55.9 | 22% | 0.223 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 130.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y1958 Y1959 N1999 I2002 | Y1958-A2005 VanDerWaalsContact O-CA 3.3Å; Y1958-A2005 WeakPolarHBondContact O-CA 3.37Å; Y1959-A2005 HydrophobicContact CD1-CB 3.8Å; Y1959-A2005 HydrophobicContact CE1-CB 3.72Å; N1999-A2005 HydrophobicContact CB-CB 4.23Å; I2002-A2005 HydrophobicContact CB-CB 3.85Å; I2002-A2005 HydrophobicContact CG2-CB 4.02Å; I2002-A2005 WeakPolarHBondContact O-CB 3.47Å; I2002-A2005 PolarHBondContact O-N 3.02Å |
| 2006 | S | 86 | Confident | 84.5 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 145.7 | 163.6 | 64.8 | 0 | 0 | 0 | 0 | 110 | V1957 Y1958 | V1957-S2006 WeakPolarHBondContact CA-O 3.48Å; Y1958-S2006 PolarHBondContact N-O 2.87Å; Y1958-S2006 PolarHBondContact O-N 3.06Å; Y1958-S2006 VanDerWaalsContact O-N 3.08Å |
| 2007 | V | 89.7 | Confident | 84.6 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 24% | 0.242 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 129.5 | 178 | -178.1 | 0 | 0 | 0 | 0 | 107.2 | L1955 H1956 V1957 N1999 | L1955-V2007 HydrophobicContact CD1-CG1 3.7Å; H1956-V2007 WeakPolarHBondContact O-CA 3.49Å; V1957-V2007 HydrophobicContact CG1-CG2 4.3Å; V1957-V2007 HydrophobicContact CG2-CG1 4.46Å; V1957-V2007 HydrophobicContact CG2-CG2 4.33Å; N1999-V2007 HydrophobicContact CB-CG2 4.39Å |
| 2008 | T | 88.8 | Confident | 84.5 | Confident | 70 Ų | 70 | 59.7 Ų | 59.7 | 43% | 0.429 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 160.8 | 171.7 | 57.1 | 0 | 0 | 0 | 0 | 109.4 | L1955 H1956 | L1955-T2008 WeakPolarHBondContact CA-O 3.49Å; H1956-T2008 PolarHBondContact N-O 3.25Å; H1956-T2008 PolarHBondContact O-N 3.42Å |
| 2009 | G | 90.2 | Very high | 84.6 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 89.2 | 177.4 | -162.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1953 D1954 N2019 | E1953-G2009 CarbonylContact O-C 2.69Å; E1953-G2009 WeakPolarHBondContact O-CA 3.34Å; D1954-G2009 VanDerWaalsContact O-CA 3.22Å; D1954-G2009 WeakPolarHBondContact O-CA 3.48Å; G2009-N2019 PolarHBondContact O-ND2 2.79Å |
| 2010 | K | 90.6 | Very high | 84.9 | Confident | 98 Ų | 98 | 59.5 Ų | 59.5 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 152.6 | -178.1 | -49.3 | -162.2 | -155.8 | 73.1 | 0 | 111.8 | T1952 E1953 V2012 | T1952-K2010 WeakPolarHBondContact CA-O 3.47Å; E1953-K2010 HydrophobicContact CB-CB 4.29Å; E1953-K2010 PolarHBondContact N-O 3.42Å; E1953-K2010 PolarHBondContact O-N 2.92Å; E1953-K2010 WeakPolarHBondContact OE2-CD 3.3Å; E1953-K2010 WeakPolarHBondContact OE2-CE 3.43Å; E1953-K2010 IonicContact OE2-NZ 2.87Å; E1953-K2010 PolarHBondContact OE2-NZ 2.8Å; K2010-V2012 HydrophobicContact CB-CG2 4.13Å |
| 2011 | I | 93.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 91.9 | 172 | -58 | 177.4 | 0 | 0 | 0 | 106.7 | L1950 H1951 T1952 L1955 S1994 L1995 D2017 V2018 | L1950-I2011 HydrophobicContact CD1-CG2 4.06Å; L1950-I2011 HydrophobicContact CD2-CG2 4.25Å; L1950-I2011 HydrophobicContact CG-CG2 4.32Å; H1951-I2011 CarbonylContact O-C 2.82Å; T1952-I2011 HydrophobicContact CG2-CG1 4.1Å; T1952-I2011 HydrophobicContact CG2-CG2 4.34Å; L1955-I2011 HydrophobicContact CD1-CD1 3.87Å; L1955-I2011 HydrophobicContact CD1-CG1 3.68Å; S1994-I2011 VanDerWaalsContact O-CD1 3.26Å; S1994-I2011 WeakPolarHBondContact O-CD1 3.36Å; L1995-I2011 HydrophobicContact CD2-CG2 4.25Å; I2011-D2017 PolarHBondContact N-OD1 3.08Å; I2011-D2017 CarbonylContact O-C 3.56Å; I2011-D2017 WeakPolarHBondContact O-CA 3.19Å; I2011-V2018 HydrophobicContact CB-CB 4.12Å; I2011-V2018 HydrophobicContact CG2-CB 4.1Å; I2011-V2018 HydrophobicContact CG2-CG2 4.29Å; I2011-V2018 VanDerWaalsContact O-CB 3.3Å; I2011-V2018 WeakPolarHBondContact O-CB 3.12Å; I2011-V2018 VanDerWaalsContact O-CG2 3.3Å; I2011-V2018 WeakPolarHBondContact O-CG2 3.38Å; I2011-V2018 PolarHBondContact O-N 3.17Å |
| 2012 | V | 92.8 | Very high | 85.5 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.4 | -169.8 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | L1950 H1951 K2010 | L1950-V2012 VanDerWaalsContact CA-O 3.32Å; L1950-V2012 WeakPolarHBondContact CA-O 3.41Å; H1951-V2012 PolarHBondContact N-O 3.48Å; H1951-V2012 WeakPolarHBondContact NE2-CB 3.3Å; H1951-V2012 PolarHBondContact O-N 2.88Å; K2010-V2012 HydrophobicContact CB-CG2 4.13Å |
| 2013 | Y | 92.4 | Very high | 85.9 | Confident | 25 Ų | 25 | 63 Ų | 63 | 10% | 0.098 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 116.6 | 174.8 | 163.8 | -104 | 0 | 0 | 0 | 108.7 | A1949 D2015 V2016 R2031 I2032 D2112 I2113 | A1949-Y2013 WeakPolarHBondContact O-CD2 3.27Å; Y2013-D2015 PolarHBondContact O-N 3.09Å; Y2013-V2016 PolarHBondContact N-O 2.69Å; Y2013-V2016 PolarHBondContact O-N 2.68Å; Y2013-R2031 HydrophobicContact CE1-CB 4.13Å; Y2013-R2031 WeakPolarHBondContact OH-CB 3.26Å; Y2013-I2032 HydrophobicContact CD1-CD1 4.39Å; Y2013-I2032 HydrophobicContact CD2-CD1 4.28Å; Y2013-I2032 HydrophobicContact CG-CD1 4.05Å; Y2013-D2112 HydrophobicContact CE2-CB 4.39Å; Y2013-I2113 HydrophobicContact CD2-CD1 3.85Å; Y2013-I2113 HydrophobicContact CE2-CD1 4.12Å; Y2013-I2113 HydrophobicContact CE2-CG1 4.47Å |
| 2014 | K | 84.8 | Confident | 86.7 | Confident | 119 Ų | 119 | 62.2 Ų | 62.2 | 52% | 0.517 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 57 | -174.9 | -62.4 | -177.1 | -178.8 | 175.4 | 0 | 113.2 | V2016 D2112 | K2014-V2016 PolarHBondContact O-N 3.05Å; K2014-D2112 IonicContact NZ-OD2 2.87Å; K2014-D2112 PolarHBondContact NZ-OD2 3.1Å |
| 2015 | D | 83.7 | Confident | 87 | Confident | 159 Ų | 159 | 60.4 Ų | 60.4 | 85% | 0.85 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 12.6 | 179.1 | -47.4 | -45.4 | 0 | 0 | 0 | 115.2 | Y2013 | Y2013-D2015 PolarHBondContact O-N 3.09Š|
| 2016 | V | 86 | Confident | 87 | Confident | 78 Ų | 78 | 68.1 Ų | 68.1 | 47% | 0.473 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 119.8 | 179.2 | 172.2 | 0 | 0 | 0 | 0 | 108.9 | Y2013 K2014 V2018 I2023 | Y2013-V2016 PolarHBondContact N-O 2.69Å; Y2013-V2016 PolarHBondContact O-N 2.68Å; K2014-V2016 PolarHBondContact O-N 3.05Å; V2016-V2018 PolarHBondContact O-N 2.8Å; V2016-I2023 HydrophobicContact CG1-CD1 3.46Å; V2016-I2023 VanDerWaalsContact CG1-CD1 3.46Å; V2016-I2023 HydrophobicContact CG1-CG1 4.08Å |
| 2017 | D | 90.4 | Very high | 86.9 | Confident | 44 Ų | 44 | 68.9 Ų | 68.9 | 24% | 0.235 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 109.3 | 173.6 | 174.4 | 21.8 | 0 | 0 | 0 | 110.4 | I2011 N2019 A2020 I2023 | I2011-D2017 PolarHBondContact N-OD1 3.08Å; I2011-D2017 CarbonylContact O-C 3.56Å; I2011-D2017 WeakPolarHBondContact O-CA 3.19Å; D2017-N2019 PolarHBondContact O-N 2.83Å; D2017-N2019 WeakPolarHBondContact OD1-CB 3.41Å; D2017-N2019 PolarHBondContact OD1-N 2.86Å; D2017-N2019 VanDerWaalsContact OD1-N 3.11Å; D2017-A2020 WeakPolarHBondContact O-CB 3.46Å; D2017-A2020 PolarHBondContact O-N 2.7Å; D2017-I2023 WeakPolarHBondContact O-CD1 3.31Å |
| 2018 | V | 87.5 | Confident | 86.8 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.012 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -25.7 | -179.5 | 174.8 | 0 | 0 | 0 | 0 | 112.2 | R1997 I2011 V2016 A2020 M2028 I2032 | R1997-V2018 WeakPolarHBondContact CD-O 3.39Å; R1997-V2018 HydrophobicContact CG-CG1 4.03Å; R1997-V2018 PolarHBondContact NH1-O 3.41Å; I2011-V2018 HydrophobicContact CB-CB 4.12Å; I2011-V2018 HydrophobicContact CG2-CB 4.1Å; I2011-V2018 HydrophobicContact CG2-CG2 4.29Å; I2011-V2018 VanDerWaalsContact O-CB 3.3Å; I2011-V2018 WeakPolarHBondContact O-CB 3.12Å; I2011-V2018 VanDerWaalsContact O-CG2 3.3Å; I2011-V2018 WeakPolarHBondContact O-CG2 3.38Å; I2011-V2018 PolarHBondContact O-N 3.17Å; V2016-V2018 PolarHBondContact O-N 2.8Å; V2018-A2020 VanDerWaalsContact C-N 3.27Å; V2018-A2020 PolarHBondContact O-N 2.9Å; V2018-M2028 HydrophobicContact CG1-CE 3.79Å; V2018-M2028 HydrophobicContact CG1-CG 4.15Å; V2018-M2028 HydrophobicContact CG1-SD 4Å; V2018-M2028 HydrophobicContact CG2-CG 4.36Å; V2018-I2032 HydrophobicContact CG2-CD1 4.48Å |
| 2019 | N | 87.3 | Confident | 86.8 | Confident | 38 Ų | 38 | 68.1 Ų | 68.1 | 20% | 0.203 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -10.3 | 176.6 | -69.4 | -18.4 | 0 | 0 | 0 | 113.9 | R1997 G2009 D2017 | R1997-N2019 PolarHBondContact NH1-O 3.29Å; G2009-N2019 PolarHBondContact O-ND2 2.79Å; D2017-N2019 PolarHBondContact O-N 2.83Å; D2017-N2019 WeakPolarHBondContact OD1-CB 3.41Å; D2017-N2019 PolarHBondContact OD1-N 2.86Å; D2017-N2019 VanDerWaalsContact OD1-N 3.11Å |
| 2020 | A | 86.1 | Confident | 86.5 | Confident | 31 Ų | 31 | 69.7 Ų | 69.7 | 26% | 0.256 | 36% | 0.355 | S | S | . | . | trans | -60.6 | 146.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1997 D2017 V2018 N2022 I2023 | R1997-A2020 PolarHBondContact NH1-O 3.04Å; D2017-A2020 WeakPolarHBondContact O-CB 3.46Å; D2017-A2020 PolarHBondContact O-N 2.7Å; V2018-A2020 VanDerWaalsContact C-N 3.27Å; V2018-A2020 PolarHBondContact O-N 2.9Å; A2020-N2022 VanDerWaalsContact C-N 3.33Å; A2020-N2022 WeakPolarHBondContact CB-OD1 3.28Å; A2020-N2022 PolarHBondContact O-N 2.99Å; A2020-I2023 HydrophobicContact CB-CD1 3.93Å; A2020-I2023 HydrophobicContact CB-CG1 4.25Å | ||
| 2021 | S | 77.3 | Confident | 86.5 | Confident | 127 Ų | 127 | 69.2 Ų | 69.2 | 89% | 0.888 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -11.3 | -173.1 | 57.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 2022 | N | 83.4 | Confident | 86.5 | Confident | 139 Ų | 139 | 69.3 Ų | 69.3 | 74% | 0.743 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 7.8 | -179 | 66.4 | -43.1 | 0 | 0 | 0 | 114.2 | A2020 | A2020-N2022 VanDerWaalsContact C-N 3.33Å; A2020-N2022 WeakPolarHBondContact CB-OD1 3.28Å; A2020-N2022 PolarHBondContact O-N 2.99Å |
| 2023 | I | 84.7 | Confident | 86.4 | Confident | 35 Ų | 35 | 68.9 Ų | 68.9 | 18% | 0.179 | 35% | 0.35 | C | S | . | . | trans | -82.8 | 135.6 | -177.6 | -75.8 | 175.2 | 0 | 0 | 0 | 112.2 | V2016 D2017 A2020 V2025 M2028 | V2016-I2023 HydrophobicContact CG1-CD1 3.46Å; V2016-I2023 VanDerWaalsContact CG1-CD1 3.46Å; V2016-I2023 HydrophobicContact CG1-CG1 4.08Å; D2017-I2023 WeakPolarHBondContact O-CD1 3.31Å; A2020-I2023 HydrophobicContact CB-CD1 3.93Å; A2020-I2023 HydrophobicContact CB-CG1 4.25Å; I2023-V2025 PolarHBondContact O-N 2.92Å; I2023-V2025 VanDerWaalsContact O-N 3.07Å; I2023-M2028 HydrophobicContact CG2-CB 4.13Å | ||
| 2024 | D | 85.3 | Confident | 86.4 | Confident | 101 Ų | 101 | 68.9 Ų | 68.9 | 54% | 0.54 | 35% | 0.351 | S | S | . | . | trans | -72.3 | 96.8 | 164.1 | -170.8 | -30.2 | 0 | 0 | 0 | 109.6 | Y2026 E2027 M2028 | D2024-Y2026 PolarHBondContact O-N 3.26Å; D2024-Y2026 WeakPolarHBondContact OD1-CA 3.29Å; D2024-Y2026 WeakPolarHBondContact OD1-CB 3.06Å; D2024-Y2026 PolarHBondContact OD1-N 3.04Å; D2024-E2027 HydrophobicContact CB-CB 4.24Å; D2024-E2027 PolarHBondContact O-N 3.12Å; D2024-E2027 PolarHBondContact OD1-N 2.9Å; D2024-M2028 WeakPolarHBondContact O-CB 3.44Å; D2024-M2028 PolarHBondContact O-N 3.28Å | ||
| 2025 | V | 83.4 | Confident | 86.7 | Confident | 30 Ų | 30 | 63.3 Ų | 63.3 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.6 | -24.3 | 178.4 | 178.1 | 0 | 0 | 0 | 0 | 112.2 | I2023 M2028 R2029 | I2023-V2025 PolarHBondContact O-N 2.92Å; I2023-V2025 VanDerWaalsContact O-N 3.07Å; V2025-M2028 HydrophobicContact CG1-CE 4Å; V2025-R2029 HydrophobicContact CG1-CG 4.36Å; V2025-R2029 VanDerWaalsContact CG1-CZ 3.49Å; V2025-R2029 WeakPolarHBondContact O-CB 3.33Å; V2025-R2029 VanDerWaalsContact O-CG 3.26Å; V2025-R2029 WeakPolarHBondContact O-CG 3.49Å; V2025-R2029 PolarHBondContact O-N 2.98Å |
| 2026 | Y | 82.3 | Confident | 86.8 | Confident | 189 Ų | 189 | 58.4 Ų | 58.4 | 74% | 0.741 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -77.1 | -46.7 | 176.1 | -77.7 | -91.7 | 0 | 0 | 0 | 112 | D2024 M2028 R2029 K2030 | D2024-Y2026 PolarHBondContact O-N 3.26Å; D2024-Y2026 WeakPolarHBondContact OD1-CA 3.29Å; D2024-Y2026 WeakPolarHBondContact OD1-CB 3.06Å; D2024-Y2026 PolarHBondContact OD1-N 3.04Å; Y2026-M2028 VanDerWaalsContact C-N 3.29Å; Y2026-M2028 PolarHBondContact O-N 3.34Å; Y2026-R2029 PolarHBondContact O-N 3.07Å; Y2026-K2030 WeakPolarHBondContact O-CB 3.19Å; Y2026-K2030 PolarHBondContact O-N 2.95Å |
| 2027 | E | 84 | Confident | 86.5 | Confident | 76 Ų | 76 | 58 Ų | 58 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.9 | -31.9 | 175.4 | -173.8 | 62.2 | -150.7 | 0 | 0 | 111.2 | D2024 K2030 R2031 | D2024-E2027 HydrophobicContact CB-CB 4.24Å; D2024-E2027 PolarHBondContact O-N 3.12Å; D2024-E2027 PolarHBondContact OD1-N 2.9Å; E2027-K2030 IonicContact OE1-NZ 2.79Å; E2027-K2030 PolarHBondContact OE1-NZ 3.11Å; E2027-K2030 WeakPolarHBondContact OE2-CD 3.26Å; E2027-K2030 IonicContact OE2-NZ 3.6Å; E2027-K2030 PolarHBondContact OE2-NZ 3.29Å; E2027-R2031 WeakPolarHBondContact O-CG 3.1Å; E2027-R2031 PolarHBondContact O-N 3.03Å; E2027-R2031 IonicContact OE1-NE 2.66Å |
| 2028 | M | 87.9 | Confident | 85.8 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 6% | 0.064 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.2 | -49.9 | 170.9 | 178.5 | -80.8 | -67 | 0 | 0 | 112.3 | N1996 R1997 V2018 I2023 D2024 V2025 Y2026 K2030 R2031 I2032 | N1996-M2028 HydrophobicContact CB-SD 4.34Å; R1997-M2028 HydrophobicContact CB-CE 4.24Å; V2018-M2028 HydrophobicContact CG1-CE 3.79Å; V2018-M2028 HydrophobicContact CG1-CG 4.15Å; V2018-M2028 HydrophobicContact CG1-SD 4Å; V2018-M2028 HydrophobicContact CG2-CG 4.36Å; I2023-M2028 HydrophobicContact CG2-CB 4.13Å; D2024-M2028 WeakPolarHBondContact O-CB 3.44Å; D2024-M2028 PolarHBondContact O-N 3.28Å; V2025-M2028 HydrophobicContact CG1-CE 4Å; Y2026-M2028 VanDerWaalsContact C-N 3.29Å; Y2026-M2028 PolarHBondContact O-N 3.34Å; M2028-K2030 PolarHBondContact O-N 2.93Å; M2028-R2031 CarbonylContact O-C 3.56Å; M2028-R2031 WeakPolarHBondContact O-CA 3.22Å; M2028-R2031 WeakPolarHBondContact O-CB 3.17Å; M2028-R2031 PolarHBondContact O-N 3.42Å; M2028-I2032 HydrophobicContact CG-CD1 4.39Å; M2028-I2032 PolarHBondContact O-N 2.96Å; M2028-I2032 HydrophobicContact SD-CB 4.35Å; M2028-I2032 HydrophobicContact SD-CD1 4.03Å; M2028-I2032 HydrophobicContact SD-CG1 4.36Å |
| 2029 | R | 89.2 | Confident | 85.4 | Confident | 81 Ų | 81 | 61.7 Ų | 61.7 | 31% | 0.306 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.8 | -17.9 | 178.5 | -73.2 | 176.8 | -176.5 | 161.2 | 2.8 | 114.1 | N1996 R1997 V2025 Y2026 R2031 I2032 | N1996-R2029 HydrophobicContact CB-CG 4.38Å; N1996-R2029 PolarHBondContact O-NE 3.02Å; R1997-R2029 PolarHBondContact O-NH2 3.25Å; V2025-R2029 HydrophobicContact CG1-CG 4.36Å; V2025-R2029 VanDerWaalsContact CG1-CZ 3.49Å; V2025-R2029 WeakPolarHBondContact O-CB 3.33Å; V2025-R2029 VanDerWaalsContact O-CG 3.26Å; V2025-R2029 WeakPolarHBondContact O-CG 3.49Å; V2025-R2029 PolarHBondContact O-N 2.98Å; Y2026-R2029 PolarHBondContact O-N 3.07Å; R2029-R2031 VanDerWaalsContact C-N 3.27Å; R2029-I2032 CarbonylContact O-C 3.51Å |
| 2030 | K | 84.3 | Confident | 85.2 | Confident | 60 Ų | 60 | 62.9 Ų | 62.9 | 26% | 0.261 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71 | -23.7 | 167.1 | 169.1 | 175 | 161.6 | -125.3 | 0 | 112.4 | Y2026 E2027 M2028 M2109 | Y2026-K2030 WeakPolarHBondContact O-CB 3.19Å; Y2026-K2030 PolarHBondContact O-N 2.95Å; E2027-K2030 IonicContact OE1-NZ 2.79Å; E2027-K2030 PolarHBondContact OE1-NZ 3.11Å; E2027-K2030 WeakPolarHBondContact OE2-CD 3.26Å; E2027-K2030 IonicContact OE2-NZ 3.6Å; E2027-K2030 PolarHBondContact OE2-NZ 3.29Å; M2028-K2030 PolarHBondContact O-N 2.93Å; K2030-M2109 HydrophobicContact CD-CE 3.88Å; K2030-M2109 HydrophobicContact CG-CE 3.92Å |
| 2031 | R | 90.9 | Very high | 85.1 | Confident | 88 Ų | 88 | 62 Ų | 62 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -94.4 | -33.8 | 175.4 | -61.6 | -72 | 173.1 | 179.8 | -1.1 | 113.1 | Y2013 E2027 M2028 R2029 P2111 D2112 I2113 | Y2013-R2031 HydrophobicContact CE1-CB 4.13Å; Y2013-R2031 WeakPolarHBondContact OH-CB 3.26Å; E2027-R2031 WeakPolarHBondContact O-CG 3.1Å; E2027-R2031 PolarHBondContact O-N 3.03Å; E2027-R2031 IonicContact OE1-NE 2.66Å; M2028-R2031 CarbonylContact O-C 3.56Å; M2028-R2031 WeakPolarHBondContact O-CA 3.22Å; M2028-R2031 WeakPolarHBondContact O-CB 3.17Å; M2028-R2031 PolarHBondContact O-N 3.42Å; R2029-R2031 VanDerWaalsContact C-N 3.27Å; R2031-P2111 WeakPolarHBondContact O-CB 3.4Å; R2031-D2112 WeakPolarHBondContact CD-OD1 3.47Å; R2031-D2112 IonicContact CZ-OD1 2.6Å; R2031-D2112 IonicContact NE-OD1 3.9Å; R2031-D2112 IonicContact NH1-OD1 3.87Å; R2031-D2112 PolarHBondContact NH1-OD1 2.9Å; R2031-D2112 IonicContact NH1-OD2 3.4Å; R2031-D2112 PolarHBondContact O-N 2.93Å; R2031-I2113 PolarHBondContact O-N 2.88Å |
| 2032 | I | 93.5 | Very high | 85.5 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 81.1 | 176.3 | -49.3 | -178.3 | 0 | 0 | 0 | 108.2 | L1950 N1996 Y2013 V2018 M2028 R2029 I2113 L2115 | L1950-I2032 HydrophobicContact CD1-CD1 3.89Å; N1996-I2032 HydrophobicContact CB-CB 4.15Å; N1996-I2032 HydrophobicContact CB-CG2 3.81Å; Y2013-I2032 HydrophobicContact CD1-CD1 4.39Å; Y2013-I2032 HydrophobicContact CD2-CD1 4.28Å; Y2013-I2032 HydrophobicContact CG-CD1 4.05Å; V2018-I2032 HydrophobicContact CG2-CD1 4.48Å; M2028-I2032 HydrophobicContact CG-CD1 4.39Å; M2028-I2032 PolarHBondContact O-N 2.96Å; M2028-I2032 HydrophobicContact SD-CB 4.35Å; M2028-I2032 HydrophobicContact SD-CD1 4.03Å; M2028-I2032 HydrophobicContact SD-CG1 4.36Å; R2029-I2032 CarbonylContact O-C 3.51Å; I2032-I2113 CarbonylContact C-O 3.56Å; I2032-I2113 WeakPolarHBondContact CA-O 3.37Å; I2032-I2113 HydrophobicContact CG1-CB 4.49Å; I2032-I2113 HydrophobicContact CG1-CD1 4.46Å; I2032-I2113 HydrophobicContact CG2-CB 4.27Å; I2032-I2113 HydrophobicContact CG2-CG2 4.39Å; I2032-L2115 HydrophobicContact CG2-CD1 3.71Å; I2032-L2115 HydrophobicContact CG2-CD2 4.3Å; I2032-L2115 HydrophobicContact CG2-CG 3.88Å |
| 2033 | G | 90.5 | Very high | 85.3 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 158.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I2113 L2115 | G2033-I2113 PolarHBondContact N-O 3.18Å; G2033-L2115 PolarHBondContact O-N 3.27Å |
| 2034 | M | 92.1 | Very high | 85.5 | Confident | 26 Ų | 26 | 56.3 Ų | 56.3 | 13% | 0.128 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 140 | -178.3 | -172.9 | 176.1 | -174.4 | 0 | 0 | 113.6 | L1992 R1993 N1996 M1998 F2036 L2115 D2117 | L1992-M2034 HydrophobicContact CD2-CE 4.33Å; R1993-M2034 HydrophobicContact CG-CE 3.93Å; N1996-M2034 WeakPolarHBondContact ND2-CB 3.31Å; M1998-M2034 HydrophobicContact CG-SD 4.16Å; M2034-F2036 HydrophobicContact CE-CD1 3.9Å; M2034-F2036 HydrophobicContact CE-CE1 3.74Å; M2034-F2036 HydrophobicContact CE-CZ 4.35Å; M2034-F2036 HydrophobicContact CG-CE1 4.38Å; M2034-F2036 HydrophobicContact CG-CE2 4.21Å; M2034-F2036 HydrophobicContact CG-CZ 4.1Å; M2034-F2036 HydrophobicContact SD-CD1 4.34Å; M2034-F2036 HydrophobicContact SD-CE1 3.67Å; M2034-F2036 HydrophobicContact SD-CE2 4.41Å; M2034-F2036 HydrophobicContact SD-CZ 3.71Å; M2034-L2115 CarbonylContact C-O 3.58Å; M2034-L2115 VanDerWaalsContact CA-O 3.31Å; M2034-L2115 WeakPolarHBondContact CA-O 3.43Å; M2034-L2115 HydrophobicContact CB-CB 4.34Å; M2034-L2115 HydrophobicContact CG-CB 4.17Å; M2034-D2117 HydrophobicContact CE-CB 4.12Å |
| 2035 | V | 91.1 | Very high | 85.8 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 142.9 | 168.9 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | C2102 I2103 A2106 L2114 L2115 L2116 D2117 | V2035-C2102 HydrophobicContact CG1-CB 4.35Å; V2035-I2103 HydrophobicContact CG1-CG1 4.22Å; V2035-I2103 HydrophobicContact CG2-CG1 4.09Å; V2035-A2106 HydrophobicContact CG2-CB 4.18Å; V2035-L2114 HydrophobicContact CG2-CD1 4.15Å; V2035-L2115 PolarHBondContact N-O 3.37Å; V2035-L2116 HydrophobicContact CB-CD2 3.88Å; V2035-L2116 HydrophobicContact CB-CG 4.05Å; V2035-L2116 HydrophobicContact CG1-CD2 4.24Å; V2035-L2116 HydrophobicContact CG2-CD2 4.12Å; V2035-L2116 HydrophobicContact CG2-CG 4.4Å; V2035-D2117 PolarHBondContact O-N 3.16Å; V2035-D2117 VanDerWaalsContact O-N 3.14Å |
| 2036 | F | 85.8 | Confident | 86.2 | Confident | 57 Ų | 57 | 50.9 Ų | 50.9 | 25% | 0.25 | 23% | 0.231 | C | C | . | . | trans | -109.4 | 152.8 | -172.8 | -60.6 | -96.3 | 0 | 0 | 0 | 111 | M1998 M2034 R2038 N2040 Q2099 D2117 | M1998-F2036 HydrophobicContact CE-CE1 4.17Å; M1998-F2036 HydrophobicContact CE-CZ 4Å; M2034-F2036 HydrophobicContact CE-CD1 3.9Å; M2034-F2036 HydrophobicContact CE-CE1 3.74Å; M2034-F2036 HydrophobicContact CE-CZ 4.35Å; M2034-F2036 HydrophobicContact CG-CE1 4.38Å; M2034-F2036 HydrophobicContact CG-CE2 4.21Å; M2034-F2036 HydrophobicContact CG-CZ 4.1Å; M2034-F2036 HydrophobicContact SD-CD1 4.34Å; M2034-F2036 HydrophobicContact SD-CE1 3.67Å; M2034-F2036 HydrophobicContact SD-CE2 4.41Å; M2034-F2036 HydrophobicContact SD-CZ 3.71Å; F2036-R2038 VanDerWaalsContact C-N 3.32Å; F2036-R2038 PolarHBondContact O-N 3.05Å; F2036-N2040 WeakPolarHBondContact CD2-ND2 3.49Å; F2036-Q2099 PolarHBondContact O-NE2 3.01Å; F2036-Q2099 PolarHBondContact O-OE1 3.45Å; F2036-D2117 CarbonylContact C-O 3.54Å | ||
| 2037 | Q | 80 | Confident | 86.7 | Confident | 70 Ų | 70 | 44.3 Ų | 44.3 | 33% | 0.327 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -50.1 | -50.5 | -179.5 | 177.2 | -173.7 | 42.2 | 0 | 0 | 112.2 | Q2099 D2117 E2118 | Q2037-Q2099 PolarHBondContact O-NE2 3.01Å; Q2037-D2117 WeakPolarHBondContact CA-O 3.04Å; Q2037-D2117 WeakPolarHBondContact CB-O 3.18Å; Q2037-D2117 PolarHBondContact N-O 2.83Å; Q2037-E2118 HydrophobicContact CB-CB 3.96Å; Q2037-E2118 HydrophobicContact CG-CB 3.65Å; Q2037-E2118 PolarHBondContact NE2-OE1 2.95Å; Q2037-E2118 VanDerWaalsContact NE2-OE1 3.12Å; Q2037-E2118 PolarHBondContact NE2-OE2 2.98Å |
| 2038 | R | 76.3 | Confident | 87.1 | Confident | 93 Ų | 93 | 43.7 Ų | 43.7 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -87.6 | 127.5 | 171 | -174.6 | 168.8 | 173.1 | 167.7 | -4 | 109.9 | F376 N455 F2036 N2040 | F376-R2038 VanDerWaalsContact CE2-NH2 3.31Å; N455-R2038 PolarHBondContact O-NH1 3.02Å; F2036-R2038 VanDerWaalsContact C-N 3.32Å; F2036-R2038 PolarHBondContact O-N 3.05Å; R2038-N2040 PolarHBondContact O-N 2.87Å |
| 2039 | P | 79.2 | Confident | 87.3 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 19% | 0.188 | 20% | 0.202 | C | C | . | . | trans | -55 | 129.3 | 175.2 | -24.7 | 32.5 | 0 | 0 | 0 | 111.8 | P2041 Q2098 Q2099 | P2039-P2041 WeakPolarHBondContact O-CD 3.24Å; P2039-Q2098 HydrophobicContact CB-CB 3.64Å; P2039-Q2098 HydrophobicContact CG-CB 4.33Å; P2039-Q2099 HydrophobicContact CB-CB 4.5Å; P2039-Q2099 HydrophobicContact CG-CB 3.95Å; P2039-Q2099 HydrophobicContact CG-CG 4.49Å | ||
| 2040 | N | 82.6 | Confident | 87.5 | Confident | 64 Ų | 64 | 39.4 Ų | 39.4 | 34% | 0.342 | 19% | 0.188 | S | C | . | . | trans | -124 | 54.6 | -178.7 | 68.2 | -4.1 | 0 | 0 | 0 | 113.3 | F2036 R2038 C2102 R2105 | F2036-N2040 WeakPolarHBondContact CD2-ND2 3.49Å; R2038-N2040 PolarHBondContact O-N 2.87Å; N2040-C2102 PolarHBondContact N-SG 3.36Å; N2040-C2102 VanDerWaalsContact N-SG 3.41Å; N2040-R2105 PolarHBondContact O-NH1 2.92Å; N2040-R2105 PolarHBondContact O-NH2 3.47Å; N2040-R2105 PolarHBondContact OD1-NH2 2.96Å | ||
| 2041 | P | 84.4 | Confident | 87.9 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 8% | 0.084 | 18% | 0.176 | C | C | . | . | trans | -63.3 | 142.6 | 174.3 | 29.3 | -35.2 | 0 | 0 | 0 | 110.8 | P2039 A2090 L2091 Q2098 L2101 | P2039-P2041 WeakPolarHBondContact O-CD 3.24Å; P2041-A2090 HydrophobicContact CB-CB 3.79Å; P2041-L2091 HydrophobicContact CG-CD2 4.12Å; P2041-Q2098 HydrophobicContact CG-CB 4.12Å; P2041-Q2098 HydrophobicContact CG-CG 4.05Å; P2041-L2101 HydrophobicContact CB-CD2 4.5Å | ||
| 2042 | F | 84.5 | Confident | 87.7 | Confident | 72 Ų | 72 | 36.1 Ų | 36.1 | 32% | 0.316 | 18% | 0.176 | S | C | . | . | trans | -67.8 | 150.4 | 173.9 | -59.1 | -45.2 | 0 | 0 | 0 | 110.9 | K2044 N2049 F2052 | F2042-K2044 HydrophobicContact CB-CD 4.09Å; F2042-K2044 HydrophobicContact CB-CG 4.05Å; F2042-K2044 PolarHBondContact O-N 2.88Å; F2042-N2049 PolarHBondContact N-OD1 3.23Å; F2042-N2049 PolarHBondContact O-ND2 3.4Å; F2042-F2052 HydrophobicContact CD2-CD1 4.27Å; F2042-F2052 HydrophobicContact CE2-CD1 4.01Å | ||
| 2043 | S | 80.4 | Confident | 87.3 | Confident | 42 Ų | 42 | 37.4 Ų | 37.4 | 29% | 0.294 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -72.7 | 55.7 | 174.5 | 64.7 | 0 | 0 | 0 | 0 | 112.6 | P380 | P380-S2043 WeakPolarHBondContact CB-OG 3.31Š|
| 2044 | K | 87.3 | Confident | 87.2 | Confident | 67 Ų | 67 | 37.6 Ų | 37.6 | 29% | 0.291 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -129.5 | -174.2 | -179.9 | -55.5 | 177.7 | -169.3 | -81.2 | 0 | 108.3 | F2042 D2048 F2052 S2089 A2090 | F2042-K2044 HydrophobicContact CB-CD 4.09Å; F2042-K2044 HydrophobicContact CB-CG 4.05Å; F2042-K2044 PolarHBondContact O-N 2.88Å; K2044-D2048 HydrophobicContact CB-CB 3.7Å; K2044-D2048 HydrophobicContact CD-CB 4.14Å; K2044-D2048 HydrophobicContact CG-CB 4.47Å; K2044-F2052 HydrophobicContact CD-CB 4.07Å; K2044-F2052 HydrophobicContact CD-CD2 4.35Å; K2044-F2052 HydrophobicContact CD-CG 4.13Å; K2044-F2052 VanDerWaalsContact CE-CG 3.46Å; K2044-F2052 VanDerWaalsContact NZ-CD2 3.29Å; K2044-F2052 VanDerWaalsContact NZ-CE2 3.3Å; K2044-S2089 VanDerWaalsContact O-CA 3.31Å; K2044-S2089 WeakPolarHBondContact O-CA 3.18Å; K2044-S2089 PolarHBondContact O-OG 3.48Å; K2044-A2090 PolarHBondContact O-N 3.48Å; K2044-A2090 VanDerWaalsContact O-N 3.11Å |
| 2045 | S | 91.5 | Very high | 87 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -71.2 | 172.2 | 168.6 | 66.7 | 0 | 0 | 0 | 0 | 112 | R2047 D2048 N2049 L2086 D2087 K2088 | S2045-R2047 VanDerWaalsContact C-N 3.34Å; S2045-D2048 PolarHBondContact O-N 2.8Å; S2045-D2048 WeakPolarHBondContact OG-CB 3.33Å; S2045-D2048 PolarHBondContact OG-N 2.79Å; S2045-N2049 PolarHBondContact O-N 3.04Å; S2045-N2049 PolarHBondContact O-ND2 2.91Å; S2045-L2086 WeakPolarHBondContact CB-O 3.41Å; S2045-D2087 WeakPolarHBondContact CB-O 3.41Å; S2045-K2088 CarbonylContact C-O 3.52Å; S2045-K2088 WeakPolarHBondContact CA-O 3.35Å |
| 2046 | I | 92.3 | Very high | 86.4 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 171.3 | -56.2 | 173.5 | 0 | 0 | 0 | 109.2 | D2048 N2049 L2073 V2082 L2086 K2088 L2093 L2101 | I2046-D2048 PolarHBondContact O-N 2.91Å; I2046-N2049 WeakPolarHBondContact O-CB 3.36Å; I2046-N2049 PolarHBondContact O-N 2.83Å; I2046-L2073 HydrophobicContact CG2-CD1 4.31Å; I2046-L2073 HydrophobicContact CG2-CD2 4.27Å; I2046-V2082 HydrophobicContact CD1-CB 3.91Å; I2046-V2082 HydrophobicContact CD1-CG1 4.02Å; I2046-V2082 HydrophobicContact CG2-CG2 4.31Å; I2046-L2086 WeakPolarHBondContact CB-O 3.23Å; I2046-L2086 HydrophobicContact CG2-CD2 4.21Å; I2046-L2086 PolarHBondContact N-O 2.9Å; I2046-L2086 VanDerWaalsContact N-O 3.11Å; I2046-K2088 PolarHBondContact N-O 3.4Å; I2046-K2088 VanDerWaalsContact N-O 3.09Å; I2046-L2093 HydrophobicContact CD1-CD1 4.03Å; I2046-L2093 HydrophobicContact CD1-CD2 3.98Å; I2046-L2093 HydrophobicContact CD1-CG 4.25Å; I2046-L2093 HydrophobicContact CG1-CD1 4.15Å; I2046-L2101 HydrophobicContact CG1-CD2 4.42Å; I2046-L2101 HydrophobicContact CG2-CD1 3.81Å; I2046-L2101 HydrophobicContact CG2-CD2 4.14Å |
| 2047 | R | 94.1 | Very high | 85.9 | Confident | 51 Ų | 51 | 49.8 Ų | 49.8 | 19% | 0.192 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.6 | -46 | 174.8 | -159.4 | -165.5 | -53 | -87.8 | 2 | 112.8 | S2045 N2049 T2051 E2066 V2069 L2086 D2087 | S2045-R2047 VanDerWaalsContact C-N 3.34Å; R2047-N2049 VanDerWaalsContact C-N 3.34Å; R2047-T2051 WeakPolarHBondContact O-CB 3.24Å; R2047-T2051 WeakPolarHBondContact O-CG2 3.39Å; R2047-T2051 PolarHBondContact O-N 3.42Å; R2047-T2051 PolarHBondContact O-OG1 2.85Å; R2047-E2066 IonicContact CZ-OE1 3.51Å; R2047-E2066 IonicContact CZ-OE2 3.05Å; R2047-E2066 VanDerWaalsContact NH1-CD 3.31Å; R2047-E2066 IonicContact NH1-OE1 3.11Å; R2047-E2066 PolarHBondContact NH1-OE1 3.11Å; R2047-E2066 IonicContact NH1-OE2 2.8Å; R2047-E2066 PolarHBondContact NH1-OE2 3.4Å; R2047-V2069 HydrophobicContact CG-CG1 4.46Å; R2047-V2069 HydrophobicContact CG-CG2 4.11Å; R2047-L2086 HydrophobicContact CB-CB 4.33Å; R2047-L2086 PolarHBondContact N-O 3.2Å; R2047-D2087 IonicContact CZ-OD1 3.31Å; R2047-D2087 IonicContact CZ-OD2 2.67Å; R2047-D2087 IonicContact NE-OD1 3.17Å; R2047-D2087 PolarHBondContact NE-OD1 3.5Å; R2047-D2087 IonicContact NE-OD2 3.76Å; R2047-D2087 VanDerWaalsContact NH2-CG 3.27Å; R2047-D2087 IonicContact NH2-OD1 2.69Å; R2047-D2087 PolarHBondContact NH2-OD1 3.02Å; R2047-D2087 VanDerWaalsContact NH2-OD1 3.14Å; R2047-D2087 IonicContact NH2-OD2 3.99Å; R2047-D2087 PolarHBondContact NH2-OD2 2.85Å |
| 2048 | D | 92.4 | Very high | 85.9 | Confident | 64 Ų | 64 | 48.8 Ų | 48.8 | 34% | 0.342 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -76.9 | -16.3 | 179.3 | -85.6 | -25.9 | 0 | 0 | 0 | 113.5 | K2044 S2045 I2046 T2051 F2052 K2055 | K2044-D2048 HydrophobicContact CB-CB 3.7Å; K2044-D2048 HydrophobicContact CD-CB 4.14Å; K2044-D2048 HydrophobicContact CG-CB 4.47Å; S2045-D2048 PolarHBondContact O-N 2.8Å; S2045-D2048 WeakPolarHBondContact OG-CB 3.33Å; S2045-D2048 PolarHBondContact OG-N 2.79Å; I2046-D2048 PolarHBondContact O-N 2.91Å; D2048-T2051 WeakPolarHBondContact CA-OG1 2.93Å; D2048-F2052 WeakPolarHBondContact O-CB 3.29Å; D2048-F2052 PolarHBondContact O-N 2.67Å; D2048-K2055 IonicContact OD1-NZ 3.64Å; D2048-K2055 PolarHBondContact OD1-NZ 3.46Å |
| 2049 | N | 91.3 | Very high | 86.3 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.2 | -44.8 | 172.6 | -102.4 | -92.8 | 0 | 0 | 0 | 111.4 | F2042 S2045 I2046 R2047 A2090 L2101 R2105 | F2042-N2049 PolarHBondContact N-OD1 3.23Å; F2042-N2049 PolarHBondContact O-ND2 3.4Å; S2045-N2049 PolarHBondContact O-N 3.04Å; S2045-N2049 PolarHBondContact O-ND2 2.91Å; I2046-N2049 WeakPolarHBondContact O-CB 3.36Å; I2046-N2049 PolarHBondContact O-N 2.83Å; R2047-N2049 VanDerWaalsContact C-N 3.34Å; N2049-A2090 VanDerWaalsContact ND2-CB 3.26Å; N2049-A2090 WeakPolarHBondContact ND2-CB 3.3Å; N2049-L2101 HydrophobicContact CB-CD1 4.24Å; N2049-L2101 HydrophobicContact CB-CD2 4.19Å; N2049-L2101 HydrophobicContact CB-CG 4.31Å; N2049-R2105 WeakPolarHBondContact O-CD 3.3Å; N2049-R2105 WeakPolarHBondContact O-CG 3.37Å |
| 2050 | I | 93.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -75.5 | -51.8 | 177.4 | -69.3 | 164.1 | 0 | 0 | 0 | 110.5 | F2052 V2068 V2069 L2073 L2101 A2104 A2108 | I2050-F2052 VanDerWaalsContact C-N 3.33Å; I2050-F2052 PolarHBondContact O-N 2.78Å; I2050-V2068 HydrophobicContact CG2-CG1 4.47Å; I2050-V2069 HydrophobicContact CB-CG2 4.19Å; I2050-V2069 HydrophobicContact CG2-CG2 3.97Å; I2050-L2073 HydrophobicContact CD1-CD1 4.2Å; I2050-L2073 HydrophobicContact CD1-CD2 3.81Å; I2050-L2073 HydrophobicContact CD1-CG 3.63Å; I2050-L2101 HydrophobicContact CD1-CD1 4.05Å; I2050-L2101 HydrophobicContact CG1-CD1 4.17Å; I2050-A2104 HydrophobicContact CD1-CB 4.02Å; I2050-A2104 HydrophobicContact CG1-CB 4.39Å; I2050-A2108 HydrophobicContact CG2-CB 3.69Å |
| 2051 | T | 92.4 | Very high | 86.9 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -75.4 | -13 | -171.1 | 55.9 | 0 | 0 | 0 | 0 | 115.2 | R2047 D2048 A2053 L2054 K2055 L2065 V2069 | R2047-T2051 WeakPolarHBondContact O-CB 3.24Å; R2047-T2051 WeakPolarHBondContact O-CG2 3.39Å; R2047-T2051 PolarHBondContact O-N 3.42Å; R2047-T2051 PolarHBondContact O-OG1 2.85Å; D2048-T2051 WeakPolarHBondContact CA-OG1 2.93Å; T2051-A2053 PolarHBondContact O-N 3.45Å; T2051-L2054 PolarHBondContact O-N 2.99Å; T2051-K2055 VanDerWaalsContact O-CB 3.3Å; T2051-K2055 WeakPolarHBondContact O-CB 3.18Å; T2051-K2055 WeakPolarHBondContact O-CD 3.3Å; T2051-K2055 WeakPolarHBondContact O-CG 3.35Å; T2051-K2055 PolarHBondContact O-N 3.23Å; T2051-K2055 WeakPolarHBondContact OG1-CE 3.21Å; T2051-K2055 PolarHBondContact OG1-NZ 3.02Å; T2051-L2065 HydrophobicContact CG2-CB 4.02Å; T2051-L2065 HydrophobicContact CG2-CD2 3.9Å; T2051-L2065 HydrophobicContact CG2-CG 4.49Å; T2051-V2069 HydrophobicContact CG2-CG2 3.4Å |
| 2052 | F | 87.9 | Confident | 86.9 | Confident | 77 Ų | 77 | 63.2 Ų | 63.2 | 34% | 0.338 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | -176.6 | 174.3 | -114.5 | 0 | 0 | 0 | 113.2 | F2042 K2044 D2048 I2050 Q2056 | F2042-F2052 HydrophobicContact CD2-CD1 4.27Å; F2042-F2052 HydrophobicContact CE2-CD1 4.01Å; K2044-F2052 HydrophobicContact CD-CB 4.07Å; K2044-F2052 HydrophobicContact CD-CD2 4.35Å; K2044-F2052 HydrophobicContact CD-CG 4.13Å; K2044-F2052 VanDerWaalsContact CE-CG 3.46Å; K2044-F2052 VanDerWaalsContact NZ-CD2 3.29Å; K2044-F2052 VanDerWaalsContact NZ-CE2 3.3Å; D2048-F2052 WeakPolarHBondContact O-CB 3.29Å; D2048-F2052 PolarHBondContact O-N 2.67Å; I2050-F2052 VanDerWaalsContact C-N 3.33Å; I2050-F2052 PolarHBondContact O-N 2.78Å; F2052-Q2056 WeakPolarHBondContact O-CB 3.45Å; F2052-Q2056 PolarHBondContact O-N 2.86Å; F2052-Q2056 VanDerWaalsContact O-N 3.08Å |
| 2053 | A | 83.8 | Confident | 86.9 | Confident | 28 Ų | 28 | 67.3 Ų | 67.3 | 23% | 0.231 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66 | -45.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T2051 K2055 Q2056 H2057 M2109 | T2051-A2053 PolarHBondContact O-N 3.45Å; A2053-K2055 PolarHBondContact O-N 2.9Å; A2053-Q2056 WeakPolarHBondContact O-CB 3.23Å; A2053-Q2056 PolarHBondContact O-N 3.06Å; A2053-Q2056 VanDerWaalsContact O-N 3.08Å; A2053-H2057 PolarHBondContact O-CD2 3.19Å; A2053-H2057 PolarHBondContact O-N 2.85Å; A2053-M2109 HydrophobicContact CB-CG 4.39Å; A2053-M2109 HydrophobicContact CB-SD 3.61Å |
| 2054 | L | 88.2 | Confident | 87.2 | Confident | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.6 | -46.7 | 177.5 | -60.1 | 172.6 | 0 | 0 | 0 | 112.2 | T2051 Q2056 H2057 G2058 M2059 L2065 V2068 M2109 | T2051-L2054 PolarHBondContact O-N 2.99Å; L2054-Q2056 VanDerWaalsContact C-N 3.33Å; L2054-Q2056 PolarHBondContact O-N 2.97Å; L2054-H2057 CarbonylContact O-C 3.55Å; L2054-H2057 PolarHBondContact O-N 3.46Å; L2054-G2058 PolarHBondContact O-N 3.13Å; L2054-M2059 HydrophobicContact CB-CB 4.2Å; L2054-M2059 HydrophobicContact CB-SD 4.2Å; L2054-M2059 HydrophobicContact CD1-SD 4.28Å; L2054-M2059 HydrophobicContact CD2-SD 4.45Å; L2054-M2059 WeakPolarHBondContact O-CB 3.39Å; L2054-M2059 PolarHBondContact O-N 2.85Å; L2054-L2065 HydrophobicContact CB-CD2 3.71Å; L2054-L2065 HydrophobicContact CD1-CD2 4.13Å; L2054-V2068 HydrophobicContact CD1-CB 4Å; L2054-V2068 HydrophobicContact CD1-CG1 3.51Å; L2054-M2109 HydrophobicContact CD2-SD 3.86Å; L2054-M2109 HydrophobicContact CG-SD 4.46Å |
| 2055 | K | 88.2 | Confident | 87.3 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 175 | -73.8 | 162.7 | 175.7 | 158 | 0 | 112 | D2048 T2051 A2053 G2058 M2059 L2065 | D2048-K2055 IonicContact OD1-NZ 3.64Å; D2048-K2055 PolarHBondContact OD1-NZ 3.46Å; T2051-K2055 VanDerWaalsContact O-CB 3.3Å; T2051-K2055 WeakPolarHBondContact O-CB 3.18Å; T2051-K2055 WeakPolarHBondContact O-CD 3.3Å; T2051-K2055 WeakPolarHBondContact O-CG 3.35Å; T2051-K2055 PolarHBondContact O-N 3.23Å; T2051-K2055 WeakPolarHBondContact OG1-CE 3.21Å; T2051-K2055 PolarHBondContact OG1-NZ 3.02Å; A2053-K2055 PolarHBondContact O-N 2.9Å; K2055-G2058 PolarHBondContact O-N 2.86Å; K2055-M2059 WeakPolarHBondContact CA-O 3.49Å; K2055-L2065 HydrophobicContact CG-CD1 3.95Å; K2055-L2065 HydrophobicContact CG-CD2 4.29Å |
| 2056 | Q | 78.9 | Confident | 87.2 | Confident | 142 Ų | 142 | 69.1 Ų | 69.1 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -69.8 | -34.1 | 178.2 | -173.7 | 168.3 | -17.2 | 0 | 0 | 112.2 | F2052 A2053 L2054 G2058 | F2052-Q2056 WeakPolarHBondContact O-CB 3.45Å; F2052-Q2056 PolarHBondContact O-N 2.86Å; F2052-Q2056 VanDerWaalsContact O-N 3.08Å; A2053-Q2056 WeakPolarHBondContact O-CB 3.23Å; A2053-Q2056 PolarHBondContact O-N 3.06Å; A2053-Q2056 VanDerWaalsContact O-N 3.08Å; L2054-Q2056 VanDerWaalsContact C-N 3.33Å; L2054-Q2056 PolarHBondContact O-N 2.97Å; Q2056-G2058 PolarHBondContact O-N 3.43Å |
| 2057 | H | 75.2 | Confident | 87.2 | Confident | 117 Ų | 117 | 74.7 Ų | 74.7 | 54% | 0.542 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 13.4 | 171 | -68.7 | -71.2 | 0 | 0 | 0 | 114.1 | A2053 L2054 | A2053-H2057 PolarHBondContact O-CD2 3.19Å; A2053-H2057 PolarHBondContact O-N 2.85Å; L2054-H2057 CarbonylContact O-C 3.55Å; L2054-H2057 PolarHBondContact O-N 3.46Å |
| 2058 | G | 80.6 | Confident | 87.1 | Confident | 49 Ų | 49 | 73.2 Ų | 73.2 | 51% | 0.505 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | -3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | L2054 K2055 Q2056 R2060 | L2054-G2058 PolarHBondContact O-N 3.13Å; K2055-G2058 PolarHBondContact O-N 2.86Å; Q2056-G2058 PolarHBondContact O-N 3.43Å; G2058-R2060 PolarHBondContact O-N 2.95Å |
| 2059 | M | 84.8 | Confident | 87.2 | Confident | 58 Ų | 58 | 70.2 Ų | 70.2 | 29% | 0.286 | 34% | 0.337 | S | S | . | . | trans | -68.7 | 103 | 170.7 | -175.4 | -178.9 | -80.9 | 0 | 0 | 109.1 | L2054 K2055 Q2064 L2065 | L2054-M2059 HydrophobicContact CB-CB 4.2Å; L2054-M2059 HydrophobicContact CB-SD 4.2Å; L2054-M2059 HydrophobicContact CD1-SD 4.28Å; L2054-M2059 HydrophobicContact CD2-SD 4.45Å; L2054-M2059 WeakPolarHBondContact O-CB 3.39Å; L2054-M2059 PolarHBondContact O-N 2.85Å; K2055-M2059 WeakPolarHBondContact CA-O 3.49Å; M2059-Q2064 HydrophobicContact SD-CB 4.23Å; M2059-L2065 HydrophobicContact CB-CD2 4.29Å; M2059-L2065 HydrophobicContact CG-CD2 3.82Å; M2059-L2065 HydrophobicContact CG-CG 4.05Å; M2059-L2065 HydrophobicContact SD-CD2 3.75Å; M2059-L2065 HydrophobicContact SD-CG 4.23Å | ||
| 2060 | R | 86.7 | Confident | 87.4 | Confident | 217 Ų | 217 | 73.6 Ų | 73.6 | 82% | 0.819 | 35% | 0.353 | S | S | * | . | trans | -113 | -12.3 | -177.4 | -69 | -177.9 | -178.3 | -169.1 | 2.4 | 114.1 | G2058 K2062 | G2058-R2060 PolarHBondContact O-N 2.95Å; R2060-K2062 PolarHBondContact O-N 2.9Å | ||
| 2061 | D | 87.9 | Confident | 87.5 | Confident | 79 Ų | 79 | 76.5 Ų | 76.5 | 42% | 0.422 | 37% | 0.371 | S | S | . | . | trans | -65.1 | 129.4 | 176.1 | -178.5 | -94.9 | 0 | 0 | 0 | 110.1 | Q2063 Q2064 L2065 | D2061-Q2063 WeakPolarHBondContact OD1-CA 3.25Å; D2061-Q2063 WeakPolarHBondContact OD1-CB 3.38Å; D2061-Q2063 PolarHBondContact OD1-N 3.25Å; D2061-Q2064 HydrophobicContact CB-CB 4.23Å; D2061-Q2064 HydrophobicContact CB-CG 4.17Å; D2061-Q2064 PolarHBondContact OD1-N 3.24Å; D2061-L2065 WeakPolarHBondContact O-CB 3.4Å; D2061-L2065 WeakPolarHBondContact O-CD1 3.49Å; D2061-L2065 WeakPolarHBondContact O-CG 3.32Å; D2061-L2065 PolarHBondContact O-N 3.47Å | ||
| 2062 | K | 83 | Confident | 87.5 | Confident | 148 Ų | 148 | 76.5 Ų | 76.5 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -72.2 | -38 | -174.7 | -166.2 | -174 | 176.6 | -166.6 | 0 | 111.4 | R2060 L2065 E2066 | R2060-K2062 PolarHBondContact O-N 2.9Å; K2062-L2065 PolarHBondContact O-N 3.42Å; K2062-E2066 WeakPolarHBondContact CE-OE1 3.01Å; K2062-E2066 HydrophobicContact CG-CG 4.41Å; K2062-E2066 WeakPolarHBondContact O-CG 3.48Å; K2062-E2066 PolarHBondContact O-N 2.69Å |
| 2063 | Q | 84.9 | Confident | 87.9 | Confident | 157 Ų | 157 | 72.9 Ų | 72.9 | 73% | 0.734 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.9 | -44.9 | -176.6 | -174.3 | 172.4 | -14.5 | 0 | 0 | 110.7 | D2061 L2065 E2066 E2067 | D2061-Q2063 WeakPolarHBondContact OD1-CA 3.25Å; D2061-Q2063 WeakPolarHBondContact OD1-CB 3.38Å; D2061-Q2063 PolarHBondContact OD1-N 3.25Å; Q2063-L2065 VanDerWaalsContact C-N 3.33Å; Q2063-L2065 PolarHBondContact O-N 3.31Å; Q2063-E2066 PolarHBondContact O-N 3.46Å; Q2063-E2067 WeakPolarHBondContact O-CB 3.48Å; Q2063-E2067 PolarHBondContact O-N 3.05Å |
| 2064 | Q | 86.5 | Confident | 88.3 | Confident | 98 Ų | 98 | 76.5 Ų | 76.5 | 46% | 0.458 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 173 | -67 | -179.2 | -11.5 | 0 | 0 | 112.4 | M2059 D2061 E2067 V2068 | M2059-Q2064 HydrophobicContact SD-CB 4.23Å; D2061-Q2064 HydrophobicContact CB-CB 4.23Å; D2061-Q2064 HydrophobicContact CB-CG 4.17Å; D2061-Q2064 PolarHBondContact OD1-N 3.24Å; Q2064-E2067 PolarHBondContact O-N 3.18Å; Q2064-V2068 WeakPolarHBondContact O-CG2 3.4Å; Q2064-V2068 PolarHBondContact O-N 3.39Å |
| 2065 | L | 90.4 | Very high | 88.5 | Confident | 11 Ų | 11 | 79.2 Ų | 79.2 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 178.6 | -74.3 | 170.1 | 0 | 0 | 0 | 112.9 | T2051 L2054 K2055 M2059 D2061 K2062 Q2063 V2069 | T2051-L2065 HydrophobicContact CG2-CB 4.02Å; T2051-L2065 HydrophobicContact CG2-CD2 3.9Å; T2051-L2065 HydrophobicContact CG2-CG 4.49Å; L2054-L2065 HydrophobicContact CB-CD2 3.71Å; L2054-L2065 HydrophobicContact CD1-CD2 4.13Å; K2055-L2065 HydrophobicContact CG-CD1 3.95Å; K2055-L2065 HydrophobicContact CG-CD2 4.29Å; M2059-L2065 HydrophobicContact CB-CD2 4.29Å; M2059-L2065 HydrophobicContact CG-CD2 3.82Å; M2059-L2065 HydrophobicContact CG-CG 4.05Å; M2059-L2065 HydrophobicContact SD-CD2 3.75Å; M2059-L2065 HydrophobicContact SD-CG 4.23Å; D2061-L2065 WeakPolarHBondContact O-CB 3.4Å; D2061-L2065 WeakPolarHBondContact O-CD1 3.49Å; D2061-L2065 WeakPolarHBondContact O-CG 3.32Å; D2061-L2065 PolarHBondContact O-N 3.47Å; K2062-L2065 PolarHBondContact O-N 3.42Å; Q2063-L2065 VanDerWaalsContact C-N 3.33Å; Q2063-L2065 PolarHBondContact O-N 3.31Å; L2065-V2069 VanDerWaalsContact O-CG2 3.28Å; L2065-V2069 WeakPolarHBondContact O-CG2 3.29Å; L2065-V2069 PolarHBondContact O-N 3.04Å; L2065-V2069 VanDerWaalsContact O-N 3.1Å |
| 2066 | E | 89.8 | Confident | 88.6 | Confident | 53 Ų | 53 | 75.3 Ų | 75.3 | 25% | 0.248 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.8 | -38.5 | 174.8 | -58.1 | -61.2 | 174.7 | 0 | 0 | 111.4 | R2047 K2062 Q2063 V2068 V2069 E2070 | R2047-E2066 IonicContact CZ-OE1 3.51Å; R2047-E2066 IonicContact CZ-OE2 3.05Å; R2047-E2066 VanDerWaalsContact NH1-CD 3.31Å; R2047-E2066 IonicContact NH1-OE1 3.11Å; R2047-E2066 PolarHBondContact NH1-OE1 3.11Å; R2047-E2066 IonicContact NH1-OE2 2.8Å; R2047-E2066 PolarHBondContact NH1-OE2 3.4Å; K2062-E2066 WeakPolarHBondContact CE-OE1 3.01Å; K2062-E2066 HydrophobicContact CG-CG 4.41Å; K2062-E2066 WeakPolarHBondContact O-CG 3.48Å; K2062-E2066 PolarHBondContact O-N 2.69Å; Q2063-E2066 PolarHBondContact O-N 3.46Å; E2066-V2068 PolarHBondContact O-N 2.89Å; E2066-V2069 WeakPolarHBondContact O-CB 3.45Å; E2066-V2069 PolarHBondContact O-N 3.05Å; E2066-E2070 PolarHBondContact O-N 3.2Å |
| 2067 | E | 92 | Very high | 89.1 | Confident | 119 Ų | 119 | 70.3 Ų | 70.3 | 56% | 0.556 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.7 | -43 | 174.5 | -176 | -178.5 | -178 | 0 | 0 | 111.8 | Q2063 Q2064 E2070 T2071 | Q2063-E2067 WeakPolarHBondContact O-CB 3.48Å; Q2063-E2067 PolarHBondContact O-N 3.05Å; Q2064-E2067 PolarHBondContact O-N 3.18Å; E2067-E2070 PolarHBondContact O-N 2.85Å; E2067-T2071 WeakPolarHBondContact O-CB 3.3Å; E2067-T2071 WeakPolarHBondContact O-CG2 3.31Å; E2067-T2071 PolarHBondContact O-N 3.3Å; E2067-T2071 PolarHBondContact O-OG1 3.1Å |
| 2068 | V | 91.7 | Very high | 89.9 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70 | -32.8 | 175.6 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | I2050 L2054 Q2064 E2066 T2071 S2072 A2108 | I2050-V2068 HydrophobicContact CG2-CG1 4.47Å; L2054-V2068 HydrophobicContact CD1-CB 4Å; L2054-V2068 HydrophobicContact CD1-CG1 3.51Å; Q2064-V2068 WeakPolarHBondContact O-CG2 3.4Å; Q2064-V2068 PolarHBondContact O-N 3.39Å; E2066-V2068 PolarHBondContact O-N 2.89Å; V2068-T2071 WeakPolarHBondContact CA-OG1 3.48Å; V2068-T2071 PolarHBondContact O-OG1 2.65Å; V2068-S2072 WeakPolarHBondContact O-CB 3.27Å; V2068-S2072 PolarHBondContact O-N 3.02Å; V2068-S2072 PolarHBondContact O-OG 3.46Å; V2068-A2108 HydrophobicContact CG1-CB 3.98Å |
| 2069 | V | 95.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.6 | -49.5 | 172 | 167.3 | 0 | 0 | 0 | 0 | 111.2 | R2047 I2050 T2051 L2065 E2066 L2073 L2086 | R2047-V2069 HydrophobicContact CG-CG1 4.46Å; R2047-V2069 HydrophobicContact CG-CG2 4.11Å; I2050-V2069 HydrophobicContact CB-CG2 4.19Å; I2050-V2069 HydrophobicContact CG2-CG2 3.97Å; T2051-V2069 HydrophobicContact CG2-CG2 3.4Å; L2065-V2069 VanDerWaalsContact O-CG2 3.28Å; L2065-V2069 WeakPolarHBondContact O-CG2 3.29Å; L2065-V2069 PolarHBondContact O-N 3.04Å; L2065-V2069 VanDerWaalsContact O-N 3.1Å; E2066-V2069 WeakPolarHBondContact O-CB 3.45Å; E2066-V2069 PolarHBondContact O-N 3.05Å; V2069-L2073 HydrophobicContact CG1-CD1 3.71Å; V2069-L2073 VanDerWaalsContact O-CB 3.29Å; V2069-L2073 WeakPolarHBondContact O-CB 3.45Å; V2069-L2073 WeakPolarHBondContact O-CD1 3.39Å; V2069-L2073 WeakPolarHBondContact O-CG 3.46Å; V2069-L2073 PolarHBondContact O-N 3.16Å; V2069-L2086 HydrophobicContact CG1-CD1 4.46Å; V2069-L2086 HydrophobicContact CG1-CD2 4.26Å |
| 2070 | E | 95.2 | Very high | 90.7 | Very high | 72 Ų | 72 | 66.7 Ų | 66.7 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65 | -48.1 | -179.1 | 179.8 | 167.4 | 169.6 | 0 | 0 | 111.7 | E2066 E2067 L2073 K2074 W2079 | E2066-E2070 PolarHBondContact O-N 3.2Å; E2067-E2070 PolarHBondContact O-N 2.85Å; E2070-L2073 PolarHBondContact O-N 2.81Å; E2070-K2074 HydrophobicContact CG-CD 4.15Å; E2070-K2074 WeakPolarHBondContact O-CB 3.32Å; E2070-K2074 WeakPolarHBondContact O-CG 3.46Å; E2070-K2074 PolarHBondContact O-N 2.79Å; E2070-K2074 WeakPolarHBondContact OE1-CE 3.31Å; E2070-K2074 IonicContact OE1-NZ 3.46Å; E2070-K2074 PolarHBondContact OE1-NZ 3.17Å; E2070-W2079 HydrophobicContact CB-CE3 4.31Å; E2070-W2079 HydrophobicContact CB-CH2 3.81Å; E2070-W2079 HydrophobicContact CB-CZ2 4.23Å; E2070-W2079 HydrophobicContact CB-CZ3 3.86Å; E2070-W2079 HydrophobicContact CG-CD2 4.06Å; E2070-W2079 HydrophobicContact CG-CE3 4.18Å; E2070-W2079 HydrophobicContact CG-CH2 3.75Å; E2070-W2079 HydrophobicContact CG-CZ2 3.63Å; E2070-W2079 HydrophobicContact CG-CZ3 4.04Å |
| 2071 | T | 93.5 | Very high | 90.7 | Very high | 63 Ų | 63 | 61.1 Ų | 61.1 | 39% | 0.387 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 179.6 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | E2067 V2068 L2073 K2074 Q2075 | E2067-T2071 WeakPolarHBondContact O-CB 3.3Å; E2067-T2071 WeakPolarHBondContact O-CG2 3.31Å; E2067-T2071 PolarHBondContact O-N 3.3Å; E2067-T2071 PolarHBondContact O-OG1 3.1Å; V2068-T2071 WeakPolarHBondContact CA-OG1 3.48Å; V2068-T2071 PolarHBondContact O-OG1 2.65Å; T2071-L2073 PolarHBondContact O-N 3.49Å; T2071-K2074 PolarHBondContact O-N 2.86Å; T2071-Q2075 WeakPolarHBondContact O-CG 3.45Å; T2071-Q2075 PolarHBondContact O-N 3.43Å |
| 2072 | S | 93.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 179.2 | -51.6 | 0 | 0 | 0 | 0 | 112.4 | V2068 A2076 A2104 A2108 | V2068-S2072 WeakPolarHBondContact O-CB 3.27Å; V2068-S2072 PolarHBondContact O-N 3.02Å; V2068-S2072 PolarHBondContact O-OG 3.46Å; S2072-A2076 WeakPolarHBondContact O-CB 3.42Å; S2072-A2076 PolarHBondContact O-N 3.07Å; S2072-A2076 VanDerWaalsContact O-N 3.11Å; S2072-A2104 WeakPolarHBondContact CB-O 3.17Å; S2072-A2104 WeakPolarHBondContact O-CB 3.38Å; S2072-A2108 WeakPolarHBondContact OG-CA 3.26Å; S2072-A2108 WeakPolarHBondContact OG-CB 3.32Å |
| 2073 | L | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.3 | -28 | 175.3 | -72.4 | 171.8 | 0 | 0 | 0 | 112.9 | I2046 I2050 V2069 E2070 T2071 A2077 L2078 W2079 V2082 L2086 L2101 A2104 | I2046-L2073 HydrophobicContact CG2-CD1 4.31Å; I2046-L2073 HydrophobicContact CG2-CD2 4.27Å; I2050-L2073 HydrophobicContact CD1-CD1 4.2Å; I2050-L2073 HydrophobicContact CD1-CD2 3.81Å; I2050-L2073 HydrophobicContact CD1-CG 3.63Å; V2069-L2073 HydrophobicContact CG1-CD1 3.71Å; V2069-L2073 VanDerWaalsContact O-CB 3.29Å; V2069-L2073 WeakPolarHBondContact O-CB 3.45Å; V2069-L2073 WeakPolarHBondContact O-CD1 3.39Å; V2069-L2073 WeakPolarHBondContact O-CG 3.46Å; V2069-L2073 PolarHBondContact O-N 3.16Å; E2070-L2073 PolarHBondContact O-N 2.81Å; T2071-L2073 PolarHBondContact O-N 3.49Å; L2073-A2077 PolarHBondContact O-N 3.46Å; L2073-L2078 HydrophobicContact CD2-CB 4.23Å; L2073-L2078 HydrophobicContact CD2-CD2 3.84Å; L2073-L2078 HydrophobicContact CD2-CG 4.19Å; L2073-L2078 PolarHBondContact O-N 2.9Å; L2073-W2079 HydrophobicContact CB-CB 4.06Å; L2073-W2079 HydrophobicContact CB-CE3 3.93Å; L2073-W2079 HydrophobicContact CD1-CE3 3.86Å; L2073-W2079 HydrophobicContact CD1-CZ3 4.18Å; L2073-W2079 PolarHBondContact O-N 2.76Å; L2073-V2082 HydrophobicContact CD1-CG2 3.93Å; L2073-V2082 HydrophobicContact CD2-CG2 4.2Å; L2073-L2086 HydrophobicContact CD1-CD2 3.47Å; L2073-L2086 VanDerWaalsContact CD1-CD2 3.47Å; L2073-L2101 HydrophobicContact CD2-CD1 4.03Å; L2073-A2104 HydrophobicContact CD2-CB 4.21Å |
| 2074 | K | 93.5 | Very high | 91.3 | Very high | 104 Ų | 104 | 53.2 Ų | 53.2 | 45% | 0.452 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -72.2 | -48.5 | 171.2 | -76.1 | 177.7 | -177 | 174.7 | 0 | 111.5 | E2070 T2071 A2076 A2077 W2079 | E2070-K2074 HydrophobicContact CG-CD 4.15Å; E2070-K2074 WeakPolarHBondContact O-CB 3.32Å; E2070-K2074 WeakPolarHBondContact O-CG 3.46Å; E2070-K2074 PolarHBondContact O-N 2.79Å; E2070-K2074 WeakPolarHBondContact OE1-CE 3.31Å; E2070-K2074 IonicContact OE1-NZ 3.46Å; E2070-K2074 PolarHBondContact OE1-NZ 3.17Å; T2071-K2074 PolarHBondContact O-N 2.86Å; K2074-A2076 PolarHBondContact O-N 3.31Å; K2074-A2077 PolarHBondContact O-N 2.85Å; K2074-W2079 HydrophobicContact CG-CB 3.69Å; K2074-W2079 HydrophobicContact CG-CG 3.81Å |
| 2075 | Q | 91 | Very high | 91.4 | Very high | 71 Ų | 71 | 51.2 Ų | 51.2 | 33% | 0.332 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.9 | -25.6 | 176.6 | -74.6 | -172.6 | -48.9 | 0 | 0 | 113.1 | T2071 I2107 L2138 | T2071-Q2075 WeakPolarHBondContact O-CG 3.45Å; T2071-Q2075 PolarHBondContact O-N 3.43Å; Q2075-I2107 HydrophobicContact CB-CD1 3.54Å; Q2075-L2138 HydrophobicContact CB-CD2 4.22Å |
| 2076 | A | 90.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 20.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S2072 K2074 L2078 R2100 I2103 A2104 | S2072-A2076 WeakPolarHBondContact O-CB 3.42Å; S2072-A2076 PolarHBondContact O-N 3.07Å; S2072-A2076 VanDerWaalsContact O-N 3.11Å; K2074-A2076 PolarHBondContact O-N 3.31Å; A2076-L2078 PolarHBondContact O-N 3.41Å; A2076-R2100 HydrophobicContact CB-CB 4.45Å; A2076-R2100 VanDerWaalsContact CB-O 3.27Å; A2076-R2100 WeakPolarHBondContact CB-O 3.24Å; A2076-R2100 WeakPolarHBondContact O-CB 3.45Å; A2076-R2100 WeakPolarHBondContact O-CD 3.28Å; A2076-I2103 HydrophobicContact CB-CB 4.5Å; A2076-I2103 HydrophobicContact CB-CG2 4.31Å; A2076-A2104 HydrophobicContact CB-CB 3.75Å |
| 2077 | A | 88.8 | Confident | 91.3 | Very high | 38 Ų | 38 | 53.9 Ų | 53.9 | 31% | 0.314 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 26.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | L2073 K2074 R2100 T2130 | L2073-A2077 PolarHBondContact O-N 3.46Å; K2074-A2077 PolarHBondContact O-N 2.85Å; A2077-R2100 PolarHBondContact O-NH1 3.04Å; A2077-T2130 HydrophobicContact CB-CG2 3.93Å |
| 2078 | L | 92.2 | Very high | 91 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -111.2 | -24.1 | -170.7 | -173.9 | 59.3 | 0 | 0 | 0 | 113.6 | L2073 A2076 D2080 Q2081 V2082 Q2097 R2100 L2101 | L2073-L2078 HydrophobicContact CD2-CB 4.23Å; L2073-L2078 HydrophobicContact CD2-CD2 3.84Å; L2073-L2078 HydrophobicContact CD2-CG 4.19Å; L2073-L2078 PolarHBondContact O-N 2.9Å; A2076-L2078 PolarHBondContact O-N 3.41Å; L2078-D2080 PolarHBondContact O-N 3.28Å; L2078-Q2081 HydrophobicContact CD1-CB 4.36Å; L2078-Q2081 WeakPolarHBondContact O-CB 3.48Å; L2078-Q2081 PolarHBondContact O-N 3.45Å; L2078-V2082 HydrophobicContact CD1-CG1 3.86Å; L2078-V2082 HydrophobicContact CD2-CG1 4.45Å; L2078-V2082 HydrophobicContact CG-CG1 3.89Å; L2078-V2082 HydrophobicContact CG-CG2 4.12Å; L2078-V2082 PolarHBondContact O-N 3.22Å; L2078-Q2097 HydrophobicContact CD1-CB 3.96Å; L2078-Q2097 HydrophobicContact CD1-CG 3.82Å; L2078-Q2097 WeakPolarHBondContact CD2-O 3.37Å; L2078-R2100 HydrophobicContact CB-CB 4.34Å; L2078-R2100 HydrophobicContact CD2-CB 4.3Å; L2078-L2101 HydrophobicContact CD2-CB 3.83Å | ||
| 2079 | W | 94.7 | Very high | 90.5 | Very high | 39 Ų | 39 | 56 Ų | 56 | 15% | 0.148 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -45.1 | -57.2 | -171.4 | 176.9 | -112.4 | 0 | 0 | 0 | 114.5 | E2070 L2073 K2074 Q2081 V2082 K2083 L2086 | E2070-W2079 HydrophobicContact CB-CE3 4.31Å; E2070-W2079 HydrophobicContact CB-CH2 3.81Å; E2070-W2079 HydrophobicContact CB-CZ2 4.23Å; E2070-W2079 HydrophobicContact CB-CZ3 3.86Å; E2070-W2079 HydrophobicContact CG-CD2 4.06Å; E2070-W2079 HydrophobicContact CG-CE3 4.18Å; E2070-W2079 HydrophobicContact CG-CH2 3.75Å; E2070-W2079 HydrophobicContact CG-CZ2 3.63Å; E2070-W2079 HydrophobicContact CG-CZ3 4.04Å; L2073-W2079 HydrophobicContact CB-CB 4.06Å; L2073-W2079 HydrophobicContact CB-CE3 3.93Å; L2073-W2079 HydrophobicContact CD1-CE3 3.86Å; L2073-W2079 HydrophobicContact CD1-CZ3 4.18Å; L2073-W2079 PolarHBondContact O-N 2.76Å; K2074-W2079 HydrophobicContact CG-CB 3.69Å; K2074-W2079 HydrophobicContact CG-CG 3.81Å; W2079-Q2081 PolarHBondContact O-N 3.08Å; W2079-Q2081 VanDerWaalsContact O-N 3.13Å; W2079-V2082 PolarHBondContact O-N 3.28Å; W2079-K2083 HydrophobicContact CD2-CB 4.05Å; W2079-K2083 HydrophobicContact CE3-CB 4.3Å; W2079-K2083 HydrophobicContact CH2-CB 4.24Å; W2079-K2083 HydrophobicContact CZ2-CB 3.95Å; W2079-K2083 HydrophobicContact CZ3-CB 4.4Å; W2079-K2083 WeakPolarHBondContact O-CB 3.46Å; W2079-K2083 PolarHBondContact O-N 3.45Å; W2079-L2086 HydrophobicContact CH2-CD1 4.23Å; W2079-L2086 HydrophobicContact CZ3-CD1 3.94Å; W2079-L2086 HydrophobicContact CZ3-CD2 4.25Å |
| 2080 | D | 88.4 | Confident | 89.8 | Confident | 109 Ų | 109 | 56 Ų | 56 | 58% | 0.583 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.7 | -17.1 | -174.8 | -71.9 | -78.9 | 0 | 0 | 0 | 114.4 | L2078 K2083 | L2078-D2080 PolarHBondContact O-N 3.28Å; D2080-K2083 IonicContact OD1-NZ 2.71Å; D2080-K2083 PolarHBondContact OD1-NZ 2.88Å |
| 2081 | Q | 86.1 | Confident | 89 | Confident | 100 Ų | 100 | 57.1 Ų | 57.1 | 47% | 0.467 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -84.3 | -18.9 | 173.6 | -52.8 | -173.3 | 2.1 | 0 | 0 | 112.7 | L2078 W2079 R2100 | L2078-Q2081 HydrophobicContact CD1-CB 4.36Å; L2078-Q2081 WeakPolarHBondContact O-CB 3.48Å; L2078-Q2081 PolarHBondContact O-N 3.45Å; W2079-Q2081 PolarHBondContact O-N 3.08Å; W2079-Q2081 VanDerWaalsContact O-N 3.13Å; Q2081-R2100 VanDerWaalsContact OE1-NH2 3.11Å |
| 2082 | V | 91.3 | Very high | 88.2 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -130 | -9.7 | -169.1 | -54.4 | 0 | 0 | 0 | 0 | 116.1 | I2046 L2073 L2078 W2079 D2084 N2085 L2086 L2093 | I2046-V2082 HydrophobicContact CD1-CB 3.91Å; I2046-V2082 HydrophobicContact CD1-CG1 4.02Å; I2046-V2082 HydrophobicContact CG2-CG2 4.31Å; L2073-V2082 HydrophobicContact CD1-CG2 3.93Å; L2073-V2082 HydrophobicContact CD2-CG2 4.2Å; L2078-V2082 HydrophobicContact CD1-CG1 3.86Å; L2078-V2082 HydrophobicContact CD2-CG1 4.45Å; L2078-V2082 HydrophobicContact CG-CG1 3.89Å; L2078-V2082 HydrophobicContact CG-CG2 4.12Å; L2078-V2082 PolarHBondContact O-N 3.22Å; W2079-V2082 PolarHBondContact O-N 3.28Å; V2082-D2084 VanDerWaalsContact C-N 3.32Å; V2082-D2084 PolarHBondContact O-N 3.39Å; V2082-N2085 CarbonylContact O-C 3.58Å; V2082-N2085 WeakPolarHBondContact O-CA 3.28Å; V2082-N2085 PolarHBondContact O-N 2.95Å; V2082-L2086 HydrophobicContact CG2-CD2 4.06Å; V2082-L2086 PolarHBondContact O-N 2.69Å; V2082-L2086 VanDerWaalsContact O-N 3.14Å; V2082-L2093 HydrophobicContact CG1-CD2 3.92Å |
| 2083 | K | 89.5 | Confident | 87.6 | Confident | 80 Ų | 80 | 59.3 Ų | 59.3 | 35% | 0.348 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -51 | -42.3 | -176.8 | 59.7 | -171.9 | 173.2 | -173.3 | 0 | 114.5 | W2079 D2080 N2085 L2086 | W2079-K2083 HydrophobicContact CD2-CB 4.05Å; W2079-K2083 HydrophobicContact CE3-CB 4.3Å; W2079-K2083 HydrophobicContact CH2-CB 4.24Å; W2079-K2083 HydrophobicContact CZ2-CB 3.95Å; W2079-K2083 HydrophobicContact CZ3-CB 4.4Å; W2079-K2083 WeakPolarHBondContact O-CB 3.46Å; W2079-K2083 PolarHBondContact O-N 3.45Å; D2080-K2083 IonicContact OD1-NZ 2.71Å; D2080-K2083 PolarHBondContact OD1-NZ 2.88Å; K2083-N2085 PolarHBondContact O-N 3.2Å; K2083-L2086 WeakPolarHBondContact O-CG 3.19Å |
| 2084 | D | 88.3 | Confident | 86.9 | Confident | 137 Ų | 137 | 62.1 Ų | 62.1 | 73% | 0.733 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -80.5 | 1.1 | 178.2 | -52 | -64.6 | 0 | 0 | 0 | 113.5 | V2082 | V2082-D2084 VanDerWaalsContact C-N 3.32Å; V2082-D2084 PolarHBondContact O-N 3.39Å |
| 2085 | N | 87.9 | Confident | 85.9 | Confident | 55 Ų | 55 | 59 Ų | 59 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -133.5 | 9.2 | -166.7 | -71.5 | -78.3 | 0 | 0 | 0 | 113.8 | V2082 K2083 D2087 K2088 | V2082-N2085 CarbonylContact O-C 3.58Å; V2082-N2085 WeakPolarHBondContact O-CA 3.28Å; V2082-N2085 PolarHBondContact O-N 2.95Å; K2083-N2085 PolarHBondContact O-N 3.2Å; N2085-D2087 PolarHBondContact O-N 3.19Å; N2085-K2088 HydrophobicContact CB-CD 4.15Å; N2085-K2088 WeakPolarHBondContact O-CB 3.19Å; N2085-K2088 PolarHBondContact O-N 3.44Å; N2085-K2088 WeakPolarHBondContact OD1-CD 3.43Å; N2085-K2088 WeakPolarHBondContact OD1-CE 3.49Å; N2085-K2088 PolarHBondContact OD1-NZ 2.66Å |
| 2086 | L | 90.4 | Very high | 85.2 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 7% | 0.068 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -25.9 | -169.6 | -67.1 | 172.1 | 0 | 0 | 0 | 115.5 | S2045 I2046 R2047 V2069 L2073 W2079 V2082 K2083 | S2045-L2086 WeakPolarHBondContact CB-O 3.41Å; I2046-L2086 WeakPolarHBondContact CB-O 3.23Å; I2046-L2086 HydrophobicContact CG2-CD2 4.21Å; I2046-L2086 PolarHBondContact N-O 2.9Å; I2046-L2086 VanDerWaalsContact N-O 3.11Å; R2047-L2086 HydrophobicContact CB-CB 4.33Å; R2047-L2086 PolarHBondContact N-O 3.2Å; V2069-L2086 HydrophobicContact CG1-CD1 4.46Å; V2069-L2086 HydrophobicContact CG1-CD2 4.26Å; L2073-L2086 HydrophobicContact CD1-CD2 3.47Å; L2073-L2086 VanDerWaalsContact CD1-CD2 3.47Å; W2079-L2086 HydrophobicContact CH2-CD1 4.23Å; W2079-L2086 HydrophobicContact CZ3-CD1 3.94Å; W2079-L2086 HydrophobicContact CZ3-CD2 4.25Å; V2082-L2086 HydrophobicContact CG2-CD2 4.06Å; V2082-L2086 PolarHBondContact O-N 2.69Å; V2082-L2086 VanDerWaalsContact O-N 3.14Å; K2083-L2086 WeakPolarHBondContact O-CG 3.19Å |
| 2087 | D | 88.7 | Confident | 85.1 | Confident | 108 Ų | 108 | 57.7 Ų | 57.7 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -6.2 | -179.8 | -59.9 | -50.5 | 0 | 0 | 0 | 114.1 | S2045 R2047 N2085 | S2045-D2087 WeakPolarHBondContact CB-O 3.41Å; R2047-D2087 IonicContact CZ-OD1 3.31Å; R2047-D2087 IonicContact CZ-OD2 2.67Å; R2047-D2087 IonicContact NE-OD1 3.17Å; R2047-D2087 PolarHBondContact NE-OD1 3.5Å; R2047-D2087 IonicContact NE-OD2 3.76Å; R2047-D2087 VanDerWaalsContact NH2-CG 3.27Å; R2047-D2087 IonicContact NH2-OD1 2.69Å; R2047-D2087 PolarHBondContact NH2-OD1 3.02Å; R2047-D2087 VanDerWaalsContact NH2-OD1 3.14Å; R2047-D2087 IonicContact NH2-OD2 3.99Å; R2047-D2087 PolarHBondContact NH2-OD2 2.85Å; N2085-D2087 PolarHBondContact O-N 3.19Å |
| 2088 | K | 84.5 | Confident | 85.1 | Confident | 129 Ų | 129 | 57.6 Ų | 57.6 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -67.3 | 155.3 | 168.6 | -70.8 | -176.4 | 176.9 | 166.1 | 0 | 110.6 | S2045 I2046 N2085 | S2045-K2088 CarbonylContact C-O 3.52Å; S2045-K2088 WeakPolarHBondContact CA-O 3.35Å; I2046-K2088 PolarHBondContact N-O 3.4Å; I2046-K2088 VanDerWaalsContact N-O 3.09Å; N2085-K2088 HydrophobicContact CB-CD 4.15Å; N2085-K2088 WeakPolarHBondContact O-CB 3.19Å; N2085-K2088 PolarHBondContact O-N 3.44Å; N2085-K2088 WeakPolarHBondContact OD1-CD 3.43Å; N2085-K2088 WeakPolarHBondContact OD1-CE 3.49Å; N2085-K2088 PolarHBondContact OD1-NZ 2.66Å |
| 2089 | S | 82.2 | Confident | 85 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 37% | 0.371 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -67.6 | 135.8 | 177.9 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | K2044 L2091 A2092 | K2044-S2089 VanDerWaalsContact O-CA 3.31Å; K2044-S2089 WeakPolarHBondContact O-CA 3.18Å; K2044-S2089 PolarHBondContact O-OG 3.48Å; S2089-L2091 PolarHBondContact O-N 2.85Å; S2089-A2092 WeakPolarHBondContact O-CB 2.92Å; S2089-A2092 PolarHBondContact O-N 3.14Å |
| 2090 | A | 80.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -58.1 | -27.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P2041 K2044 N2049 A2092 L2093 L2101 | P2041-A2090 HydrophobicContact CB-CB 3.79Å; K2044-A2090 PolarHBondContact O-N 3.48Å; K2044-A2090 VanDerWaalsContact O-N 3.11Å; N2049-A2090 VanDerWaalsContact ND2-CB 3.26Å; N2049-A2090 WeakPolarHBondContact ND2-CB 3.3Å; A2090-A2092 PolarHBondContact O-N 3.41Å; A2090-L2093 WeakPolarHBondContact O-CB 3.44Å; A2090-L2093 PolarHBondContact O-N 3.29Å; A2090-L2101 HydrophobicContact CB-CD2 3.44Å; A2090-L2101 VanDerWaalsContact CB-CD2 3.44Å |
| 2091 | L | 77.9 | Confident | 85.1 | Confident | 96 Ų | 96 | 50.9 Ų | 50.9 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -69.6 | -5.3 | 177.1 | -63.8 | 169.7 | 0 | 0 | 0 | 113.7 | P2041 S2089 | P2041-L2091 HydrophobicContact CG-CD2 4.12Å; S2089-L2091 PolarHBondContact O-N 2.85Å |
| 2092 | A | 76.1 | Confident | 85.4 | Confident | 86 Ų | 86 | 46.2 Ų | 46.2 | 71% | 0.711 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -97.1 | 2.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S2089 A2090 | S2089-A2092 WeakPolarHBondContact O-CB 2.92Å; S2089-A2092 PolarHBondContact O-N 3.14Å; A2090-A2092 PolarHBondContact O-N 3.41Å |
| 2093 | L | 82.5 | Confident | 85.5 | Confident | 26 Ų | 26 | 46.1 Ų | 46.1 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -83.5 | 159.1 | 175.3 | -67.1 | 176.1 | 0 | 0 | 0 | 111.6 | I2046 V2082 A2090 Q2097 Q2098 L2101 | I2046-L2093 HydrophobicContact CD1-CD1 4.03Å; I2046-L2093 HydrophobicContact CD1-CD2 3.98Å; I2046-L2093 HydrophobicContact CD1-CG 4.25Å; I2046-L2093 HydrophobicContact CG1-CD1 4.15Å; V2082-L2093 HydrophobicContact CG1-CD2 3.92Å; A2090-L2093 WeakPolarHBondContact O-CB 3.44Å; A2090-L2093 PolarHBondContact O-N 3.29Å; L2093-Q2097 HydrophobicContact CB-CB 3.77Å; L2093-Q2097 HydrophobicContact CD1-CB 4.35Å; L2093-Q2097 HydrophobicContact CD2-CB 4.28Å; L2093-Q2097 HydrophobicContact CG-CB 4.36Å; L2093-Q2098 HydrophobicContact CB-CG 3.75Å; L2093-Q2098 PolarHBondContact O-NE2 3.05Å; L2093-L2101 HydrophobicContact CD1-CB 4.42Å; L2093-L2101 HydrophobicContact CD1-CD2 3.79Å |
| 2094 | S | 80.4 | Confident | 85.7 | Confident | 60 Ų | 60 | 42.3 Ų | 42.3 | 42% | 0.42 | 25% | 0.247 | S | C | . | . | trans | -68.8 | 165.2 | 171.5 | 76.8 | 0 | 0 | 0 | 0 | 112.2 | G2096 Q2097 Q2098 | S2094-G2096 PolarHBondContact O-N 3.5Å; S2094-Q2097 VanDerWaalsContact N-OE1 3.08Å; S2094-Q2097 CarbonylContact O-C 3.58Å; S2094-Q2097 WeakPolarHBondContact O-CB 3.41Å; S2094-Q2097 PolarHBondContact O-N 3.24Å; S2094-Q2097 WeakPolarHBondContact OG-CG 3.43Å; S2094-Q2097 PolarHBondContact OG-N 3.05Å; S2094-Q2098 WeakPolarHBondContact O-CG 3.34Å; S2094-Q2098 PolarHBondContact O-N 2.83Å | ||
| 2095 | G | 72.9 | Confident | 86 | Confident | 39 Ų | 39 | 37.4 Ų | 37.4 | 40% | 0.402 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -51.9 | -52.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q2097 Q2098 Q2099 | G2095-Q2097 VanDerWaalsContact C-N 3.29Å; G2095-Q2097 PolarHBondContact O-N 2.84Å; G2095-Q2098 PolarHBondContact O-N 2.91Å; G2095-Q2099 PolarHBondContact O-N 3.12Å |
| 2096 | G | 75.6 | Confident | 86.1 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.4 | -22.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S2094 R2100 | S2094-G2096 PolarHBondContact O-N 3.5Å; G2096-R2100 WeakPolarHBondContact O-CG 3.42Å; G2096-R2100 PolarHBondContact O-N 3.04Å; G2096-R2100 PolarHBondContact O-NE 3.02Å |
| 2097 | Q | 88 | Confident | 86.3 | Confident | 42 Ų | 42 | 35 Ų | 35 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -79.8 | -39.3 | 170.6 | -72.3 | 175.7 | -23.3 | 0 | 0 | 112 | L2078 L2093 S2094 G2095 Q2099 L2101 | L2078-Q2097 HydrophobicContact CD1-CB 3.96Å; L2078-Q2097 HydrophobicContact CD1-CG 3.82Å; L2078-Q2097 WeakPolarHBondContact CD2-O 3.37Å; L2093-Q2097 HydrophobicContact CB-CB 3.77Å; L2093-Q2097 HydrophobicContact CD1-CB 4.35Å; L2093-Q2097 HydrophobicContact CD2-CB 4.28Å; L2093-Q2097 HydrophobicContact CG-CB 4.36Å; S2094-Q2097 VanDerWaalsContact N-OE1 3.08Å; S2094-Q2097 CarbonylContact O-C 3.58Å; S2094-Q2097 WeakPolarHBondContact O-CB 3.41Å; S2094-Q2097 PolarHBondContact O-N 3.24Å; S2094-Q2097 WeakPolarHBondContact OG-CG 3.43Å; S2094-Q2097 PolarHBondContact OG-N 3.05Å; G2095-Q2097 VanDerWaalsContact C-N 3.29Å; G2095-Q2097 PolarHBondContact O-N 2.84Å; Q2097-Q2099 VanDerWaalsContact C-N 3.32Å; Q2097-L2101 WeakPolarHBondContact O-CB 3.28Å; Q2097-L2101 PolarHBondContact O-N 3.17Å |
| 2098 | Q | 89 | Confident | 86.4 | Confident | 35 Ų | 35 | 30.2 Ų | 30.2 | 16% | 0.164 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 173.1 | -69.5 | -174.2 | 33.9 | 0 | 0 | 110.7 | P2039 P2041 L2093 S2094 G2095 L2101 C2102 | P2039-Q2098 HydrophobicContact CB-CB 3.64Å; P2039-Q2098 HydrophobicContact CG-CB 4.33Å; P2041-Q2098 HydrophobicContact CG-CB 4.12Å; P2041-Q2098 HydrophobicContact CG-CG 4.05Å; L2093-Q2098 HydrophobicContact CB-CG 3.75Å; L2093-Q2098 PolarHBondContact O-NE2 3.05Å; S2094-Q2098 WeakPolarHBondContact O-CG 3.34Å; S2094-Q2098 PolarHBondContact O-N 2.83Å; G2095-Q2098 PolarHBondContact O-N 2.91Å; Q2098-L2101 WeakPolarHBondContact O-CB 3.35Å; Q2098-L2101 PolarHBondContact O-N 3.28Å; Q2098-C2102 PolarHBondContact O-N 2.86Å; Q2098-C2102 PolarHBondContact O-SG 3.29Å; Q2098-C2102 VanDerWaalsContact O-SG 3.33Å |
| 2099 | Q | 90.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.4 | -46.2 | 178.7 | -163.8 | 68.2 | -38.5 | 0 | 0 | 112.3 | F2036 Q2037 P2039 G2095 Q2097 L2101 C2102 I2103 P2119 | F2036-Q2099 PolarHBondContact O-NE2 3.01Å; F2036-Q2099 PolarHBondContact O-OE1 3.45Å; Q2037-Q2099 PolarHBondContact O-NE2 3.01Å; P2039-Q2099 HydrophobicContact CB-CB 4.5Å; P2039-Q2099 HydrophobicContact CG-CB 3.95Å; P2039-Q2099 HydrophobicContact CG-CG 4.49Å; G2095-Q2099 PolarHBondContact O-N 3.12Å; Q2097-Q2099 VanDerWaalsContact C-N 3.32Å; Q2099-L2101 VanDerWaalsContact C-N 3.27Å; Q2099-L2101 PolarHBondContact O-N 2.9Å; Q2099-C2102 WeakPolarHBondContact O-CA 3.35Å; Q2099-C2102 WeakPolarHBondContact O-CB 3.22Å; Q2099-C2102 PolarHBondContact O-N 2.8Å; Q2099-I2103 WeakPolarHBondContact O-CG1 3.29Å; Q2099-I2103 PolarHBondContact O-N 2.85Å; Q2099-P2119 WeakPolarHBondContact CG-O 3.29Å; Q2099-P2119 PolarHBondContact NE2-O 2.92Å |
| 2100 | R | 91.6 | Very high | 87.1 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 2% | 0.023 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.2 | -32.8 | 173.1 | -74.9 | 179.4 | -64.5 | 150.2 | 2.9 | 112.4 | A2076 A2077 L2078 Q2081 G2096 I2103 A2104 V2131 | A2076-R2100 HydrophobicContact CB-CB 4.45Å; A2076-R2100 VanDerWaalsContact CB-O 3.27Å; A2076-R2100 WeakPolarHBondContact CB-O 3.24Å; A2076-R2100 WeakPolarHBondContact O-CB 3.45Å; A2076-R2100 WeakPolarHBondContact O-CD 3.28Å; A2077-R2100 PolarHBondContact O-NH1 3.04Å; L2078-R2100 HydrophobicContact CB-CB 4.34Å; L2078-R2100 HydrophobicContact CD2-CB 4.3Å; Q2081-R2100 VanDerWaalsContact OE1-NH2 3.11Å; G2096-R2100 WeakPolarHBondContact O-CG 3.42Å; G2096-R2100 PolarHBondContact O-N 3.04Å; G2096-R2100 PolarHBondContact O-NE 3.02Å; R2100-I2103 PolarHBondContact O-N 2.81Å; R2100-A2104 WeakPolarHBondContact O-CB 3.5Å; R2100-A2104 PolarHBondContact O-N 3.42Å; R2100-V2131 HydrophobicContact CG-CG2 3.94Å |
| 2101 | L | 94 | Very high | 87.7 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.3 | -34.1 | 170.2 | -179 | 59 | 0 | 0 | 0 | 112.9 | P2041 I2046 N2049 I2050 L2073 L2078 A2090 L2093 Q2097 Q2098 Q2099 A2104 R2105 | P2041-L2101 HydrophobicContact CB-CD2 4.5Å; I2046-L2101 HydrophobicContact CG1-CD2 4.42Å; I2046-L2101 HydrophobicContact CG2-CD1 3.81Å; I2046-L2101 HydrophobicContact CG2-CD2 4.14Å; N2049-L2101 HydrophobicContact CB-CD1 4.24Å; N2049-L2101 HydrophobicContact CB-CD2 4.19Å; N2049-L2101 HydrophobicContact CB-CG 4.31Å; I2050-L2101 HydrophobicContact CD1-CD1 4.05Å; I2050-L2101 HydrophobicContact CG1-CD1 4.17Å; L2073-L2101 HydrophobicContact CD2-CD1 4.03Å; L2078-L2101 HydrophobicContact CD2-CB 3.83Å; A2090-L2101 HydrophobicContact CB-CD2 3.44Å; A2090-L2101 VanDerWaalsContact CB-CD2 3.44Å; L2093-L2101 HydrophobicContact CD1-CB 4.42Å; L2093-L2101 HydrophobicContact CD1-CD2 3.79Å; Q2097-L2101 WeakPolarHBondContact O-CB 3.28Å; Q2097-L2101 PolarHBondContact O-N 3.17Å; Q2098-L2101 WeakPolarHBondContact O-CB 3.35Å; Q2098-L2101 PolarHBondContact O-N 3.28Å; Q2099-L2101 VanDerWaalsContact C-N 3.27Å; Q2099-L2101 PolarHBondContact O-N 2.9Å; L2101-A2104 PolarHBondContact O-N 3Å; L2101-R2105 VanDerWaalsContact O-CB 3.32Å; L2101-R2105 WeakPolarHBondContact O-CB 3.48Å; L2101-R2105 PolarHBondContact O-N 3.25Å |
| 2102 | C | 92.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67 | -40 | 172.8 | -71.4 | 0 | 0 | 0 | 0 | 111.9 | V2035 N2040 Q2098 Q2099 R2105 A2106 | V2035-C2102 HydrophobicContact CG1-CB 4.35Å; N2040-C2102 PolarHBondContact N-SG 3.36Å; N2040-C2102 VanDerWaalsContact N-SG 3.41Å; Q2098-C2102 PolarHBondContact O-N 2.86Å; Q2098-C2102 PolarHBondContact O-SG 3.29Å; Q2098-C2102 VanDerWaalsContact O-SG 3.33Å; Q2099-C2102 WeakPolarHBondContact O-CA 3.35Å; Q2099-C2102 WeakPolarHBondContact O-CB 3.22Å; Q2099-C2102 PolarHBondContact O-N 2.8Å; C2102-R2105 PolarHBondContact O-N 2.77Å; C2102-R2105 PolarHBondContact SG-NH2 2.84Å; C2102-A2106 PolarHBondContact O-N 3.28Å; C2102-A2106 VanDerWaalsContact O-N 3.1Å |
| 2103 | I | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.8 | -52.3 | 170.5 | -64.7 | 167.6 | 0 | 0 | 0 | 110 | V2035 A2076 Q2099 R2100 R2105 A2106 I2107 L2116 V2131 T2134 L2138 | V2035-I2103 HydrophobicContact CG1-CG1 4.22Å; V2035-I2103 HydrophobicContact CG2-CG1 4.09Å; A2076-I2103 HydrophobicContact CB-CB 4.5Å; A2076-I2103 HydrophobicContact CB-CG2 4.31Å; Q2099-I2103 WeakPolarHBondContact O-CG1 3.29Å; Q2099-I2103 PolarHBondContact O-N 2.85Å; R2100-I2103 PolarHBondContact O-N 2.81Å; I2103-R2105 VanDerWaalsContact C-N 3.28Å; I2103-R2105 PolarHBondContact O-N 2.78Å; I2103-A2106 WeakPolarHBondContact O-CB 3.49Å; I2103-A2106 PolarHBondContact O-N 2.85Å; I2103-I2107 HydrophobicContact CG2-CG2 4.46Å; I2103-I2107 WeakPolarHBondContact O-CG1 3.26Å; I2103-I2107 PolarHBondContact O-N 3.39Å; I2103-L2116 HydrophobicContact CG1-CD2 4.43Å; I2103-V2131 HydrophobicContact CD1-CG1 4.44Å; I2103-T2134 HydrophobicContact CD1-CG2 4.49Å; I2103-T2134 HydrophobicContact CG2-CG2 4.28Å; I2103-L2138 HydrophobicContact CG2-CD1 3.57Å |
| 2104 | A | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -53.4 | -43.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | I2050 S2072 L2073 A2076 R2100 L2101 A2106 I2107 A2108 | I2050-A2104 HydrophobicContact CD1-CB 4.02Å; I2050-A2104 HydrophobicContact CG1-CB 4.39Å; S2072-A2104 WeakPolarHBondContact CB-O 3.17Å; S2072-A2104 WeakPolarHBondContact O-CB 3.38Å; L2073-A2104 HydrophobicContact CD2-CB 4.21Å; A2076-A2104 HydrophobicContact CB-CB 3.75Å; R2100-A2104 WeakPolarHBondContact O-CB 3.5Å; R2100-A2104 PolarHBondContact O-N 3.42Å; L2101-A2104 PolarHBondContact O-N 3Å; A2104-A2106 PolarHBondContact O-N 2.82Å; A2104-I2107 WeakPolarHBondContact O-CG1 3.43Å; A2104-A2108 VanDerWaalsContact O-CB 3.3Å; A2104-A2108 WeakPolarHBondContact O-CB 3.15Å; A2104-A2108 PolarHBondContact O-N 2.78Å |
| 2105 | R | 93.4 | Very high | 90.9 | Very high | 34 Ų | 34 | 20 Ų | 20 | 13% | 0.128 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.1 | -33.6 | 177.1 | 179.1 | -175.6 | 64.7 | -172.3 | -7.3 | 112.9 | N2040 N2049 L2101 C2102 I2103 | N2040-R2105 PolarHBondContact O-NH1 2.92Å; N2040-R2105 PolarHBondContact O-NH2 3.47Å; N2040-R2105 PolarHBondContact OD1-NH2 2.96Å; N2049-R2105 WeakPolarHBondContact O-CD 3.3Å; N2049-R2105 WeakPolarHBondContact O-CG 3.37Å; L2101-R2105 VanDerWaalsContact O-CB 3.32Å; L2101-R2105 WeakPolarHBondContact O-CB 3.48Å; L2101-R2105 PolarHBondContact O-N 3.25Å; C2102-R2105 PolarHBondContact O-N 2.77Å; C2102-R2105 PolarHBondContact SG-NH2 2.84Å; I2103-R2105 VanDerWaalsContact C-N 3.28Å; I2103-R2105 PolarHBondContact O-N 2.78Å |
| 2106 | A | 91.8 | Very high | 91.9 | Very high | 16 Ų | 16 | 18.1 Ų | 18.1 | 13% | 0.132 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -72.4 | -51.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V2035 C2102 I2103 A2104 A2108 M2109 P2111 L2114 | V2035-A2106 HydrophobicContact CG2-CB 4.18Å; C2102-A2106 PolarHBondContact O-N 3.28Å; C2102-A2106 VanDerWaalsContact O-N 3.1Å; I2103-A2106 WeakPolarHBondContact O-CB 3.49Å; I2103-A2106 PolarHBondContact O-N 2.85Å; A2104-A2106 PolarHBondContact O-N 2.82Å; A2106-A2108 VanDerWaalsContact C-N 3.26Å; A2106-A2108 PolarHBondContact O-N 3.07Å; A2106-M2109 PolarHBondContact O-N 2.81Å; A2106-P2111 WeakPolarHBondContact O-CD 3.35Å; A2106-L2114 HydrophobicContact CB-CD1 3.76Å |
| 2107 | I | 93.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -67.7 | -23.8 | -178.3 | 67.8 | -176.5 | 0 | 0 | 0 | 113.1 | Q2075 I2103 A2104 M2109 K2110 L2114 L2138 Y2142 | Q2075-I2107 HydrophobicContact CB-CD1 3.54Å; I2103-I2107 HydrophobicContact CG2-CG2 4.46Å; I2103-I2107 WeakPolarHBondContact O-CG1 3.26Å; I2103-I2107 PolarHBondContact O-N 3.39Å; A2104-I2107 WeakPolarHBondContact O-CG1 3.43Å; I2107-M2109 PolarHBondContact O-N 3.13Å; I2107-K2110 WeakPolarHBondContact O-CA 3.36Å; I2107-K2110 PolarHBondContact O-N 2.79Å; I2107-L2114 HydrophobicContact CG2-CD2 4.26Å; I2107-L2138 HydrophobicContact CD1-CD2 3.85Å; I2107-L2138 HydrophobicContact CG2-CD1 4.28Å; I2107-L2138 HydrophobicContact CG2-CD2 4.1Å; I2107-Y2142 HydrophobicContact CB-CE2 4.17Å; I2107-Y2142 HydrophobicContact CG2-CD2 4.43Å; I2107-Y2142 HydrophobicContact CG2-CE2 4.01Å; I2107-Y2142 PolarHBondContact O-OH 3.11Å |
| 2108 | A | 91.9 | Very high | 92.5 | Very high | 6 Ų | 6 | 17.4 Ų | 17.4 | 5% | 0.05 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -27.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I2050 V2068 S2072 A2104 A2106 K2110 | I2050-A2108 HydrophobicContact CG2-CB 3.69Å; V2068-A2108 HydrophobicContact CG1-CB 3.98Å; S2072-A2108 WeakPolarHBondContact OG-CA 3.26Å; S2072-A2108 WeakPolarHBondContact OG-CB 3.32Å; A2104-A2108 VanDerWaalsContact O-CB 3.3Å; A2104-A2108 WeakPolarHBondContact O-CB 3.15Å; A2104-A2108 PolarHBondContact O-N 2.78Å; A2106-A2108 VanDerWaalsContact C-N 3.26Å; A2106-A2108 PolarHBondContact O-N 3.07Å; A2108-K2110 VanDerWaalsContact C-N 3.27Å |
| 2109 | M | 89.8 | Confident | 92.2 | Very high | 41 Ų | 41 | 15.8 Ų | 15.8 | 20% | 0.202 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -7.3 | 174.6 | -69.1 | -58.7 | -58.6 | 0 | 0 | 113.6 | K2030 A2053 L2054 A2106 I2107 | K2030-M2109 HydrophobicContact CD-CE 3.88Å; K2030-M2109 HydrophobicContact CG-CE 3.92Å; A2053-M2109 HydrophobicContact CB-CG 4.39Å; A2053-M2109 HydrophobicContact CB-SD 3.61Å; L2054-M2109 HydrophobicContact CD2-SD 3.86Å; L2054-M2109 HydrophobicContact CG-SD 4.46Å; A2106-M2109 PolarHBondContact O-N 2.81Å; I2107-M2109 PolarHBondContact O-N 3.13Å |
| 2110 | K | 90.1 | Very high | 91.7 | Very high | 143 Ų | 143 | 16.3 Ų | 16.3 | 62% | 0.622 | 8% | 0.081 | S | C | * | . | trans | 51.3 | 63.6 | -173.7 | -57.9 | -172.4 | -179 | -173.1 | 0 | 112.5 | I2107 A2108 | I2107-K2110 WeakPolarHBondContact O-CA 3.36Å; I2107-K2110 PolarHBondContact O-N 2.79Å; A2108-K2110 VanDerWaalsContact C-N 3.27Å | ||
| 2111 | P | 94.6 | Very high | 90.7 | Very high | 7 Ų | 7 | 18.2 Ų | 18.2 | 5% | 0.045 | 10% | 0.095 | C | C | . | . | trans | -66.2 | 167.2 | 173.1 | 32.5 | -36.6 | 0 | 0 | 0 | 111.1 | R2031 A2106 Y2142 | R2031-P2111 WeakPolarHBondContact O-CB 3.4Å; A2106-P2111 WeakPolarHBondContact O-CD 3.35Å; P2111-Y2142 HydrophobicContact CG-CD1 4.22Å; P2111-Y2142 HydrophobicContact CG-CE1 4.15Å; P2111-Y2142 WeakPolarHBondContact O-CD1 3.43Å; P2111-Y2142 VanDerWaalsContact O-CE1 3.23Å; P2111-Y2142 WeakPolarHBondContact O-CE1 3.27Å | ||
| 2112 | D | 93.5 | Very high | 89.2 | Confident | 43 Ų | 43 | 23 Ų | 23 | 23% | 0.23 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -96.6 | -27.5 | 174.1 | -64.7 | 57 | 0 | 0 | 0 | 110.5 | Y2013 K2014 R2031 T2143 | Y2013-D2112 HydrophobicContact CE2-CB 4.39Å; K2014-D2112 IonicContact NZ-OD2 2.87Å; K2014-D2112 PolarHBondContact NZ-OD2 3.1Å; R2031-D2112 WeakPolarHBondContact CD-OD1 3.47Å; R2031-D2112 IonicContact CZ-OD1 2.6Å; R2031-D2112 IonicContact NE-OD1 3.9Å; R2031-D2112 IonicContact NH1-OD1 3.87Å; R2031-D2112 PolarHBondContact NH1-OD1 2.9Å; R2031-D2112 IonicContact NH1-OD2 3.4Å; R2031-D2112 PolarHBondContact O-N 2.93Å; D2112-T2143 PolarHBondContact O-N 3.33Å; D2112-T2143 PolarHBondContact O-OG1 2.95Å |
| 2113 | I | 96.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.1 | 177.2 | -50.4 | -179.3 | 0 | 0 | 0 | 109.6 | A1949 L1950 Y2013 R2031 I2032 G2033 L2115 T2143 I2145 | A1949-I2113 HydrophobicContact CB-CD1 3.98Å; A1949-I2113 HydrophobicContact CB-CG1 4.26Å; L1950-I2113 HydrophobicContact CB-CD1 3.66Å; L1950-I2113 HydrophobicContact CD1-CD1 4.11Å; Y2013-I2113 HydrophobicContact CD2-CD1 3.85Å; Y2013-I2113 HydrophobicContact CE2-CD1 4.12Å; Y2013-I2113 HydrophobicContact CE2-CG1 4.47Å; R2031-I2113 PolarHBondContact O-N 2.88Å; I2032-I2113 CarbonylContact C-O 3.56Å; I2032-I2113 WeakPolarHBondContact CA-O 3.37Å; I2032-I2113 HydrophobicContact CG1-CB 4.49Å; I2032-I2113 HydrophobicContact CG1-CD1 4.46Å; I2032-I2113 HydrophobicContact CG2-CB 4.27Å; I2032-I2113 HydrophobicContact CG2-CG2 4.39Å; G2033-I2113 PolarHBondContact N-O 3.18Å; I2113-L2115 HydrophobicContact CG2-CD2 4.04Å; I2113-T2143 CarbonylContact C-O 2.92Å; I2113-T2143 WeakPolarHBondContact CA-O 3.31Å; I2113-I2145 HydrophobicContact CG2-CD1 4.4Å |
| 2114 | L | 95.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 114.6 | 177.8 | -173.2 | 67.5 | 0 | 0 | 0 | 110.7 | V2035 A2106 I2107 L2116 T2143 I2144 I2145 | V2035-L2114 HydrophobicContact CG2-CD1 4.15Å; A2106-L2114 HydrophobicContact CB-CD1 3.76Å; I2107-L2114 HydrophobicContact CG2-CD2 4.26Å; L2114-L2116 HydrophobicContact CD2-CD1 4.08Å; L2114-L2116 HydrophobicContact CG-CD1 3.94Å; L2114-L2116 HydrophobicContact CG-CG 4.44Å; L2114-T2143 PolarHBondContact N-O 3.27Å; L2114-I2144 HydrophobicContact CB-CG1 4.4Å; L2114-I2144 WeakPolarHBondContact O-CA 3.33Å; L2114-I2145 PolarHBondContact O-N 2.98Å |
| 2115 | L | 96.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 131.4 | 177.6 | -52 | -179.6 | 0 | 0 | 0 | 110 | L1992 L1995 N1996 I2032 G2033 M2034 V2035 I2113 I2145 | L1992-L2115 HydrophobicContact CD1-CB 4.09Å; L1992-L2115 HydrophobicContact CD1-CD2 4.05Å; L1992-L2115 HydrophobicContact CD2-CB 4.34Å; L1992-L2115 HydrophobicContact CG-CB 4.16Å; L1995-L2115 HydrophobicContact CB-CD1 4Å; L1995-L2115 HydrophobicContact CB-CD2 4.5Å; L1995-L2115 HydrophobicContact CD1-CD2 4.11Å; N1996-L2115 HydrophobicContact CB-CD1 3.95Å; I2032-L2115 HydrophobicContact CG2-CD1 3.71Å; I2032-L2115 HydrophobicContact CG2-CD2 4.3Å; I2032-L2115 HydrophobicContact CG2-CG 3.88Å; G2033-L2115 PolarHBondContact O-N 3.27Å; M2034-L2115 CarbonylContact C-O 3.58Å; M2034-L2115 VanDerWaalsContact CA-O 3.31Å; M2034-L2115 WeakPolarHBondContact CA-O 3.43Å; M2034-L2115 HydrophobicContact CB-CB 4.34Å; M2034-L2115 HydrophobicContact CG-CB 4.17Å; V2035-L2115 PolarHBondContact N-O 3.37Å; I2113-L2115 HydrophobicContact CG2-CD2 4.04Å; L2115-I2145 CarbonylContact C-O 3.59Å; L2115-I2145 WeakPolarHBondContact CA-O 3.11Å; L2115-I2145 HydrophobicContact CD2-CB 3.9Å; L2115-I2145 HydrophobicContact CD2-CD1 3.83Å; L2115-I2145 HydrophobicContact CD2-CG1 4.14Å |
| 2116 | L | 94.2 | Very high | 84 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 110.9 | 176.8 | -59.7 | 104.1 | 0 | 0 | 0 | 111.5 | V2035 I2103 L2114 E2118 P2119 L2135 I2144 I2145 I2146 V2147 | V2035-L2116 HydrophobicContact CB-CD2 3.88Å; V2035-L2116 HydrophobicContact CB-CG 4.05Å; V2035-L2116 HydrophobicContact CG1-CD2 4.24Å; V2035-L2116 HydrophobicContact CG2-CD2 4.12Å; V2035-L2116 HydrophobicContact CG2-CG 4.4Å; I2103-L2116 HydrophobicContact CG1-CD2 4.43Å; L2114-L2116 HydrophobicContact CD2-CD1 4.08Å; L2114-L2116 HydrophobicContact CG-CD1 3.94Å; L2114-L2116 HydrophobicContact CG-CG 4.44Å; L2116-E2118 PolarHBondContact O-N 2.95Å; L2116-P2119 HydrophobicContact CB-CB 4.06Å; L2116-P2119 HydrophobicContact CB-CG 3.8Å; L2116-P2119 HydrophobicContact CD2-CB 3.68Å; L2116-P2119 HydrophobicContact CD2-CG 3.99Å; L2116-L2135 HydrophobicContact CD1-CD2 3.91Å; L2116-L2135 HydrophobicContact CD2-CD1 4.4Å; L2116-L2135 HydrophobicContact CD2-CD2 3.66Å; L2116-L2135 HydrophobicContact CG-CD2 4.47Å; L2116-I2144 HydrophobicContact CD1-CG2 3.63Å; L2116-I2145 PolarHBondContact N-O 3.33Å; L2116-I2146 HydrophobicContact CB-CG1 4.43Å; L2116-I2146 CarbonylContact O-C 3.56Å; L2116-I2146 WeakPolarHBondContact O-CA 3.45Å; L2116-V2147 PolarHBondContact O-N 2.84Å |
| 2117 | D | 90.4 | Very high | 83.1 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 108.1 | 171.5 | -146.8 | -3.4 | 0 | 0 | 0 | 107.2 | S1989 L1992 R1993 M2034 V2035 F2036 Q2037 | S1989-D2117 WeakPolarHBondContact CB-OD1 3.23Å; S1989-D2117 PolarHBondContact OG-OD1 3.25Å; L1992-D2117 HydrophobicContact CD2-CB 3.86Å; R1993-D2117 IonicContact CZ-OD2 2.65Å; R1993-D2117 VanDerWaalsContact CZ-OD2 3.26Å; R1993-D2117 IonicContact NE-OD2 2.58Å; R1993-D2117 PolarHBondContact NE-OD2 2.99Å; R1993-D2117 IonicContact NH2-OD2 3.66Å; R1993-D2117 PolarHBondContact NH2-OD2 3.41Å; M2034-D2117 HydrophobicContact CE-CB 4.12Å; V2035-D2117 PolarHBondContact O-N 3.16Å; V2035-D2117 VanDerWaalsContact O-N 3.14Å; F2036-D2117 CarbonylContact C-O 3.54Å; Q2037-D2117 WeakPolarHBondContact CA-O 3.04Å; Q2037-D2117 WeakPolarHBondContact CB-O 3.18Å; Q2037-D2117 PolarHBondContact N-O 2.83Å |
| 2118 | E | 86 | Confident | 82.3 | Confident | 27 Ų | 27 | 39.2 Ų | 39.2 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 42.4 | 57.7 | 175.2 | -89 | -171.9 | -116.4 | 0 | 0 | 116.7 | Q2037 L2116 A2120 S2121 V2147 H2149 | Q2037-E2118 HydrophobicContact CB-CB 3.96Å; Q2037-E2118 HydrophobicContact CG-CB 3.65Å; Q2037-E2118 PolarHBondContact NE2-OE1 2.95Å; Q2037-E2118 VanDerWaalsContact NE2-OE1 3.12Å; Q2037-E2118 PolarHBondContact NE2-OE2 2.98Å; L2116-E2118 PolarHBondContact O-N 2.95Å; E2118-A2120 VanDerWaalsContact C-N 3.26Å; E2118-A2120 PolarHBondContact O-N 2.87Å; E2118-A2120 VanDerWaalsContact O-N 3.08Å; E2118-S2121 WeakPolarHBondContact O-CB 3.39Å; E2118-S2121 PolarHBondContact O-N 2.92Å; E2118-S2121 VanDerWaalsContact O-N 3.15Å; E2118-S2121 WeakPolarHBondContact OE2-CB 3.35Å; E2118-S2121 PolarHBondContact OE2-OG 3.22Å; E2118-V2147 WeakPolarHBondContact CA-O 3.36Å; E2118-V2147 HydrophobicContact CG-CG1 4.41Å; E2118-V2147 PolarHBondContact N-O 2.86Å; E2118-H2149 IonicContact OE1-CD2 3.69Å; E2118-H2149 PolarHBondContact OE1-CD2 3.42Å |
| 2119 | P | 83.7 | Confident | 81.7 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19.2 | -166.1 | 26.1 | -35.6 | 0 | 0 | 0 | 115.8 | Q2099 L2116 V2131 L2135 I2146 | Q2099-P2119 WeakPolarHBondContact CG-O 3.29Å; Q2099-P2119 PolarHBondContact NE2-O 2.92Å; L2116-P2119 HydrophobicContact CB-CB 4.06Å; L2116-P2119 HydrophobicContact CB-CG 3.8Å; L2116-P2119 HydrophobicContact CD2-CB 3.68Å; L2116-P2119 HydrophobicContact CD2-CG 3.99Å; P2119-V2131 HydrophobicContact CB-CG1 4.46Å; P2119-L2135 HydrophobicContact CG-CD1 4.11Å; P2119-I2146 HydrophobicContact CG-CD1 3.45Å; P2119-I2146 VanDerWaalsContact CG-CD1 3.45Å; P2119-I2146 HydrophobicContact CG-CG1 3.89Å |
| 2120 | A | 78.4 | Confident | 81.2 | Confident | 12 Ų | 12 | 39.7 Ų | 39.7 | 10% | 0.099 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 5.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E2118 L2123 T2128 Q2153 | E2118-A2120 VanDerWaalsContact C-N 3.26Å; E2118-A2120 PolarHBondContact O-N 2.87Å; E2118-A2120 VanDerWaalsContact O-N 3.08Å; A2120-L2123 WeakPolarHBondContact O-CB 3.3Å; A2120-L2123 PolarHBondContact O-N 3Å; A2120-T2128 HydrophobicContact CB-CG2 3.98Å; A2120-Q2153 VanDerWaalsContact CB-NE2 3.28Å |
| 2121 | S | 70 | Confident | 81 | Confident | 47 Ų | 47 | 32.9 Ų | 32.9 | 33% | 0.329 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 140.4 | -178 | -152.3 | 0 | 0 | 0 | 0 | 111.3 | E2118 L2123 | E2118-S2121 WeakPolarHBondContact O-CB 3.39Å; E2118-S2121 PolarHBondContact O-N 2.92Å; E2118-S2121 VanDerWaalsContact O-N 3.15Å; E2118-S2121 WeakPolarHBondContact OE2-CB 3.35Å; E2118-S2121 PolarHBondContact OE2-OG 3.22Å; S2121-L2123 PolarHBondContact O-N 2.94Å |
| 2122 | A | 64.3 | Low | 80.7 | Confident | 99 Ų | 99 | 33.1 Ų | 33.1 | 82% | 0.818 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 25.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 2123 | L | 67.6 | Low | 80.4 | Confident | 32 Ų | 32 | 36.7 Ų | 36.7 | 17% | 0.168 | 22% | 0.224 | C | C | . | . | trans | -97 | 157.5 | 170.2 | -59.8 | -171 | 0 | 0 | 0 | 112.3 | A2120 S2121 V2131 | A2120-L2123 WeakPolarHBondContact O-CB 3.3Å; A2120-L2123 PolarHBondContact O-N 3Å; S2121-L2123 PolarHBondContact O-N 2.94Å; L2123-V2131 HydrophobicContact CD1-CG2 4.06Å | ||
| 2124 | D | 68.9 | Low | 80 | Confident | 78 Ų | 78 | 36.7 Ų | 36.7 | 42% | 0.417 | 22% | 0.224 | S | C | . | . | trans | -72.2 | 161.7 | 167.2 | 66.6 | 87.4 | 0 | 0 | 0 | 111.4 | I2126 S2127 T2128 | D2124-I2126 VanDerWaalsContact C-N 3.28Å; D2124-I2126 PolarHBondContact O-N 3.37Å; D2124-I2126 WeakPolarHBondContact OD1-CA 3.46Å; D2124-I2126 WeakPolarHBondContact OD1-CB 3.46Å; D2124-I2126 PolarHBondContact OD1-N 3.03Å; D2124-S2127 PolarHBondContact O-N 3.37Å; D2124-S2127 PolarHBondContact OD1-N 2.8Å; D2124-S2127 PolarHBondContact OD1-OG 3.2Å; D2124-S2127 WeakPolarHBondContact OD2-CB 3.32Å; D2124-S2127 PolarHBondContact OD2-OG 3.29Å; D2124-T2128 WeakPolarHBondContact O-CB 3.47Å; D2124-T2128 PolarHBondContact O-N 3.3Å; D2124-T2128 PolarHBondContact O-OG1 3.21Å | ||
| 2125 | P | 61.9 | Low | 79.8 | Confident | 113 Ų | 113 | 36.7 Ų | 36.7 | 73% | 0.734 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60 | -32.4 | -176.9 | -27.1 | 36.5 | 0 | 0 | 0 | 114.7 | T2128 G2129 | P2125-T2128 WeakPolarHBondContact O-CB 3.44Å; P2125-T2128 PolarHBondContact O-N 3.39Å; P2125-G2129 PolarHBondContact O-N 2.66Å |
| 2126 | I | 65.3 | Low | 79.5 | Confident | 138 Ų | 138 | 39.7 Ų | 39.7 | 71% | 0.708 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -73.5 | -48.2 | -179.7 | -54.6 | 175.4 | 0 | 0 | 0 | 109.3 | D2124 T2128 G2129 T2130 | D2124-I2126 VanDerWaalsContact C-N 3.28Å; D2124-I2126 PolarHBondContact O-N 3.37Å; D2124-I2126 WeakPolarHBondContact OD1-CA 3.46Å; D2124-I2126 WeakPolarHBondContact OD1-CB 3.46Å; D2124-I2126 PolarHBondContact OD1-N 3.03Å; I2126-T2128 PolarHBondContact O-N 3.46Å; I2126-G2129 PolarHBondContact O-N 2.86Å; I2126-T2130 PolarHBondContact O-N 3.5Å; I2126-T2130 PolarHBondContact O-OG1 3.36Å; I2126-T2130 VanDerWaalsContact O-OG1 3.13Å |
| 2127 | S | 73.3 | Confident | 79.2 | Confident | 14 Ų | 14 | 45 Ų | 45 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.1 | -35.6 | 171.9 | -69.6 | 0 | 0 | 0 | 0 | 112.5 | D2124 V2131 | D2124-S2127 PolarHBondContact O-N 3.37Å; D2124-S2127 PolarHBondContact OD1-N 2.8Å; D2124-S2127 PolarHBondContact OD1-OG 3.2Å; D2124-S2127 WeakPolarHBondContact OD2-CB 3.32Å; D2124-S2127 PolarHBondContact OD2-OG 3.29Å; S2127-V2131 VanDerWaalsContact O-CG2 3.31Å; S2127-V2131 WeakPolarHBondContact O-CG2 3.2Å; S2127-V2131 PolarHBondContact O-N 2.83Å; S2127-V2131 VanDerWaalsContact O-N 3.13Å |
| 2128 | T | 76.1 | Confident | 79.3 | Confident | 20 Ų | 20 | 45.1 Ų | 45.1 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.4 | -51.5 | 176.1 | -62.2 | 0 | 0 | 0 | 0 | 111 | A2120 D2124 P2125 I2126 T2130 V2131 E2132 | A2120-T2128 HydrophobicContact CB-CG2 3.98Å; D2124-T2128 WeakPolarHBondContact O-CB 3.47Å; D2124-T2128 PolarHBondContact O-N 3.3Å; D2124-T2128 PolarHBondContact O-OG1 3.21Å; P2125-T2128 WeakPolarHBondContact O-CB 3.44Å; P2125-T2128 PolarHBondContact O-N 3.39Å; I2126-T2128 PolarHBondContact O-N 3.46Å; T2128-T2130 PolarHBondContact O-N 3.47Å; T2128-V2131 PolarHBondContact O-N 2.98Å; T2128-V2131 VanDerWaalsContact O-N 3.13Å; T2128-E2132 WeakPolarHBondContact CG2-OE1 3.33Å; T2128-E2132 WeakPolarHBondContact O-CG 3.44Å; T2128-E2132 PolarHBondContact O-N 3.48Å |
| 2129 | G | 79.5 | Confident | 79.6 | Confident | 26 Ų | 26 | 46 Ų | 46 | 27% | 0.268 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.4 | -47.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P2125 I2126 V2131 E2132 E2133 | P2125-G2129 PolarHBondContact O-N 2.66Å; I2126-G2129 PolarHBondContact O-N 2.86Å; G2129-V2131 VanDerWaalsContact C-N 3.29Å; G2129-V2131 PolarHBondContact O-N 2.84Å; G2129-E2132 PolarHBondContact O-N 2.91Å; G2129-E2132 VanDerWaalsContact O-N 3.13Å; G2129-E2133 WeakPolarHBondContact O-CG 3.36Å; G2129-E2133 PolarHBondContact O-N 3.24Å |
| 2130 | T | 78.6 | Confident | 79.9 | Confident | 32 Ų | 32 | 53.1 Ų | 53.1 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.3 | -28.8 | 178.6 | -43.7 | 0 | 0 | 0 | 0 | 113.1 | A2077 I2126 T2128 T2134 | A2077-T2130 HydrophobicContact CB-CG2 3.93Å; I2126-T2130 PolarHBondContact O-N 3.5Å; I2126-T2130 PolarHBondContact O-OG1 3.36Å; I2126-T2130 VanDerWaalsContact O-OG1 3.13Å; T2128-T2130 PolarHBondContact O-N 3.47Å; T2130-T2134 WeakPolarHBondContact O-CB 3.48Å; T2130-T2134 PolarHBondContact O-N 3.36Å; T2130-T2134 VanDerWaalsContact O-N 3.13Å; T2130-T2134 PolarHBondContact O-OG1 3.49Å |
| 2131 | V | 86.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.4 | -39.6 | 172.3 | 168.2 | 0 | 0 | 0 | 0 | 111 | R2100 I2103 P2119 L2123 S2127 T2128 G2129 T2134 L2135 | R2100-V2131 HydrophobicContact CG-CG2 3.94Å; I2103-V2131 HydrophobicContact CD1-CG1 4.44Å; P2119-V2131 HydrophobicContact CB-CG1 4.46Å; L2123-V2131 HydrophobicContact CD1-CG2 4.06Å; S2127-V2131 VanDerWaalsContact O-CG2 3.31Å; S2127-V2131 WeakPolarHBondContact O-CG2 3.2Å; S2127-V2131 PolarHBondContact O-N 2.83Å; S2127-V2131 VanDerWaalsContact O-N 3.13Å; T2128-V2131 PolarHBondContact O-N 2.98Å; T2128-V2131 VanDerWaalsContact O-N 3.13Å; G2129-V2131 VanDerWaalsContact C-N 3.29Å; G2129-V2131 PolarHBondContact O-N 2.84Å; V2131-T2134 WeakPolarHBondContact O-CB 3.39Å; V2131-T2134 PolarHBondContact O-N 3.09Å; V2131-L2135 HydrophobicContact CG1-CD1 4.37Å; V2131-L2135 WeakPolarHBondContact O-CG 3.26Å; V2131-L2135 PolarHBondContact O-N 2.97Å |
| 2132 | E | 88.6 | Confident | 81.6 | Confident | 12 Ų | 12 | 55.7 Ų | 55.7 | 6% | 0.056 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 175.6 | -72.9 | 179.3 | -164.8 | 0 | 0 | 112 | T2128 G2129 T2134 L2135 V2136 Q2153 R2156 I2157 | T2128-E2132 WeakPolarHBondContact CG2-OE1 3.33Å; T2128-E2132 WeakPolarHBondContact O-CG 3.44Å; T2128-E2132 PolarHBondContact O-N 3.48Å; G2129-E2132 PolarHBondContact O-N 2.91Å; G2129-E2132 VanDerWaalsContact O-N 3.13Å; E2132-T2134 VanDerWaalsContact C-N 3.29Å; E2132-T2134 PolarHBondContact O-N 2.94Å; E2132-L2135 PolarHBondContact O-N 3.41Å; E2132-L2135 VanDerWaalsContact O-N 3.12Å; E2132-V2136 WeakPolarHBondContact O-CG2 3.19Å; E2132-V2136 PolarHBondContact O-N 3.41Å; E2132-Q2153 HydrophobicContact CG-CG 4.25Å; E2132-Q2153 WeakPolarHBondContact OE1-CB 3.32Å; E2132-Q2153 WeakPolarHBondContact OE1-CG 3.46Å; E2132-Q2153 PolarHBondContact OE1-NE2 2.93Å; E2132-R2156 IonicContact OE1-CZ 3.28Å; E2132-R2156 IonicContact OE1-NH2 2.65Å; E2132-R2156 PolarHBondContact OE1-NH2 3Å; E2132-R2156 IonicContact OE2-CZ 2.82Å; E2132-R2156 IonicContact OE2-NE 3.7Å; E2132-R2156 PolarHBondContact OE2-NE 3.13Å; E2132-R2156 IonicContact OE2-NH2 3.31Å; E2132-R2156 PolarHBondContact OE2-NH2 2.89Å; E2132-I2157 HydrophobicContact CB-CG2 3.93Å; E2132-I2157 HydrophobicContact CG-CD1 4.44Å; E2132-I2157 HydrophobicContact CG-CG2 4.16Å |
| 2133 | E | 85.9 | Confident | 83.2 | Confident | 118 Ų | 118 | 51.1 Ų | 51.1 | 55% | 0.551 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -55.3 | -43.4 | 172.5 | -71.1 | 171.8 | 171.3 | 0 | 0 | 112.1 | G2129 L2135 V2136 Q2137 | G2129-E2133 WeakPolarHBondContact O-CG 3.36Å; G2129-E2133 PolarHBondContact O-N 3.24Å; E2133-L2135 VanDerWaalsContact C-N 3.35Å; E2133-L2135 PolarHBondContact O-N 2.94Å; E2133-V2136 PolarHBondContact O-N 3Å; E2133-Q2137 WeakPolarHBondContact O-CG 3.21Å; E2133-Q2137 PolarHBondContact O-N 2.81Å |
| 2134 | T | 88 | Confident | 84.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.4 | -44 | 176.6 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | I2103 T2130 V2131 E2132 Q2137 L2138 | I2103-T2134 HydrophobicContact CD1-CG2 4.49Å; I2103-T2134 HydrophobicContact CG2-CG2 4.28Å; T2130-T2134 WeakPolarHBondContact O-CB 3.48Å; T2130-T2134 PolarHBondContact O-N 3.36Å; T2130-T2134 VanDerWaalsContact O-N 3.13Å; T2130-T2134 PolarHBondContact O-OG1 3.49Å; V2131-T2134 WeakPolarHBondContact O-CB 3.39Å; V2131-T2134 PolarHBondContact O-N 3.09Å; E2132-T2134 VanDerWaalsContact C-N 3.29Å; E2132-T2134 PolarHBondContact O-N 2.94Å; T2134-Q2137 PolarHBondContact O-N 2.84Å; T2134-L2138 HydrophobicContact CG2-CD1 3.83Å; T2134-L2138 HydrophobicContact CG2-CG 4.42Å; T2134-L2138 WeakPolarHBondContact O-CB 3.42Å; T2134-L2138 WeakPolarHBondContact O-CG 3.23Å; T2134-L2138 PolarHBondContact O-N 2.7Å |
| 2135 | L | 92.5 | Very high | 86 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.8 | -39.4 | -179.9 | -67.1 | 174.6 | 0 | 0 | 0 | 112.2 | I1977 L2116 P2119 V2131 E2132 E2133 Q2137 L2138 K2139 I2144 I2146 I2157 | I1977-L2135 HydrophobicContact CD1-CB 4.48Å; L2116-L2135 HydrophobicContact CD1-CD2 3.91Å; L2116-L2135 HydrophobicContact CD2-CD1 4.4Å; L2116-L2135 HydrophobicContact CD2-CD2 3.66Å; L2116-L2135 HydrophobicContact CG-CD2 4.47Å; P2119-L2135 HydrophobicContact CG-CD1 4.11Å; V2131-L2135 HydrophobicContact CG1-CD1 4.37Å; V2131-L2135 WeakPolarHBondContact O-CG 3.26Å; V2131-L2135 PolarHBondContact O-N 2.97Å; E2132-L2135 PolarHBondContact O-N 3.41Å; E2132-L2135 VanDerWaalsContact O-N 3.12Å; E2133-L2135 VanDerWaalsContact C-N 3.35Å; E2133-L2135 PolarHBondContact O-N 2.94Å; L2135-Q2137 PolarHBondContact O-N 3.09Å; L2135-L2138 PolarHBondContact O-N 2.99Å; L2135-K2139 PolarHBondContact O-N 3.28Å; L2135-K2139 VanDerWaalsContact O-N 3.09Å; L2135-I2144 HydrophobicContact CD2-CD1 4.47Å; L2135-I2144 WeakPolarHBondContact O-CD1 3.39Å; L2135-I2146 HydrophobicContact CD1-CD1 4.16Å; L2135-I2157 HydrophobicContact CB-CD1 4.4Å; L2135-I2157 HydrophobicContact CD1-CD1 3.97Å |
| 2136 | V | 90.2 | Very high | 87.6 | Confident | 62 Ų | 62 | 40.5 Ų | 40.5 | 38% | 0.376 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 175.3 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | E2132 E2133 K2139 I2157 | E2132-V2136 WeakPolarHBondContact O-CG2 3.19Å; E2132-V2136 PolarHBondContact O-N 3.41Å; E2133-V2136 PolarHBondContact O-N 3Å; V2136-K2139 WeakPolarHBondContact O-CG 3.45Å; V2136-K2139 PolarHBondContact O-N 3.5Å; V2136-I2157 HydrophobicContact CG2-CB 4.03Å; V2136-I2157 HydrophobicContact CG2-CG2 3.89Å |
| 2137 | Q | 88.6 | Confident | 88.9 | Confident | 113 Ų | 113 | 34 Ų | 34 | 53% | 0.528 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.1 | -36.4 | 175.2 | -69.6 | 175.4 | 14.9 | 0 | 0 | 112.8 | E2133 T2134 L2135 K2139 | E2133-Q2137 WeakPolarHBondContact O-CG 3.21Å; E2133-Q2137 PolarHBondContact O-N 2.81Å; T2134-Q2137 PolarHBondContact O-N 2.84Å; L2135-Q2137 PolarHBondContact O-N 3.09Å; Q2137-K2139 VanDerWaalsContact C-N 3.33Å; Q2137-K2139 PolarHBondContact O-N 2.85Å |
| 2138 | L | 92.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.5 | -28.5 | 179.1 | -73.5 | 172.3 | 0 | 0 | 0 | 113 | Q2075 I2103 I2107 T2134 L2135 E2140 N2141 Y2142 I2144 | Q2075-L2138 HydrophobicContact CB-CD2 4.22Å; I2103-L2138 HydrophobicContact CG2-CD1 3.57Å; I2107-L2138 HydrophobicContact CD1-CD2 3.85Å; I2107-L2138 HydrophobicContact CG2-CD1 4.28Å; I2107-L2138 HydrophobicContact CG2-CD2 4.1Å; T2134-L2138 HydrophobicContact CG2-CD1 3.83Å; T2134-L2138 HydrophobicContact CG2-CG 4.42Å; T2134-L2138 WeakPolarHBondContact O-CB 3.42Å; T2134-L2138 WeakPolarHBondContact O-CG 3.23Å; T2134-L2138 PolarHBondContact O-N 2.7Å; L2135-L2138 PolarHBondContact O-N 2.99Å; L2138-E2140 PolarHBondContact O-N 2.99Å; L2138-E2140 VanDerWaalsContact O-N 3.16Å; L2138-N2141 PolarHBondContact O-N 3.02Å; L2138-Y2142 HydrophobicContact CB-CD2 4.13Å; L2138-Y2142 HydrophobicContact CD2-CD2 3.81Å; L2138-Y2142 HydrophobicContact CD2-CE2 3.71Å; L2138-Y2142 WeakPolarHBondContact O-CD2 3.28Å; L2138-Y2142 PolarHBondContact O-N 3.41Å; L2138-I2144 HydrophobicContact CB-CD1 4.02Å |
| 2139 | K | 92.9 | Very high | 89.8 | Confident | 46 Ų | 46 | 35.6 Ų | 35.6 | 20% | 0.2 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24.4 | -175.6 | 97.1 | -176.7 | -172 | 169 | 0 | 114.3 | N1975 I1977 L2135 V2136 Q2137 N2141 Y2142 I2144 D2159 | N1975-K2139 CarbonylContact C-O 3.48Å; N1975-K2139 WeakPolarHBondContact CA-O 3.37Å; N1975-K2139 VanDerWaalsContact CB-O 3.31Å; N1975-K2139 WeakPolarHBondContact CB-O 3.43Å; I1977-K2139 HydrophobicContact CD1-CB 3.94Å; I1977-K2139 HydrophobicContact CD1-CD 3.67Å; I1977-K2139 HydrophobicContact CD1-CG 4.42Å; I1977-K2139 HydrophobicContact CG1-CB 3.75Å; I1977-K2139 HydrophobicContact CG1-CD 3.86Å; I1977-K2139 HydrophobicContact CG1-CG 4.48Å; L2135-K2139 PolarHBondContact O-N 3.28Å; L2135-K2139 VanDerWaalsContact O-N 3.09Å; V2136-K2139 WeakPolarHBondContact O-CG 3.45Å; V2136-K2139 PolarHBondContact O-N 3.5Å; Q2137-K2139 VanDerWaalsContact C-N 3.33Å; Q2137-K2139 PolarHBondContact O-N 2.85Å; K2139-N2141 PolarHBondContact O-N 3.41Å; K2139-Y2142 WeakPolarHBondContact CA-O 2.99Å; K2139-I2144 HydrophobicContact CB-CD1 4.06Å; K2139-D2159 IonicContact NZ-OD1 2.8Å; K2139-D2159 PolarHBondContact NZ-OD1 3.31Å; K2139-D2159 IonicContact NZ-OD2 3.26Å; K2139-D2159 PolarHBondContact NZ-OD2 2.89Å |
| 2140 | E | 88.7 | Confident | 89.8 | Confident | 149 Ų | 149 | 37.4 Ų | 37.4 | 70% | 0.696 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -32.5 | 173.6 | -65.2 | -174.9 | 169 | 0 | 0 | 112.8 | N1975 L2138 | N1975-E2140 PolarHBondContact ND2-O 3.34Å; L2138-E2140 PolarHBondContact O-N 2.99Å; L2138-E2140 VanDerWaalsContact O-N 3.16Å |
| 2141 | N | 90.6 | Very high | 89.8 | Confident | 97 Ų | 97 | 37.1 Ų | 37.1 | 52% | 0.519 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -16.9 | -170.8 | -68.3 | -92.2 | 0 | 0 | 0 | 113.6 | L2138 K2139 | L2138-N2141 PolarHBondContact O-N 3.02Å; K2139-N2141 PolarHBondContact O-N 3.41Å |
| 2142 | Y | 94.7 | Very high | 89.6 | Confident | 16 Ų | 16 | 43 Ų | 43 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -133.3 | 139.7 | -172.9 | -59.2 | -70.9 | 0 | 0 | 0 | 111.2 | I2107 P2111 L2138 K2139 | I2107-Y2142 HydrophobicContact CB-CE2 4.17Å; I2107-Y2142 HydrophobicContact CG2-CD2 4.43Å; I2107-Y2142 HydrophobicContact CG2-CE2 4.01Å; I2107-Y2142 PolarHBondContact O-OH 3.11Å; P2111-Y2142 HydrophobicContact CG-CD1 4.22Å; P2111-Y2142 HydrophobicContact CG-CE1 4.15Å; P2111-Y2142 WeakPolarHBondContact O-CD1 3.43Å; P2111-Y2142 VanDerWaalsContact O-CE1 3.23Å; P2111-Y2142 WeakPolarHBondContact O-CE1 3.27Å; L2138-Y2142 HydrophobicContact CB-CD2 4.13Å; L2138-Y2142 HydrophobicContact CD2-CD2 3.81Å; L2138-Y2142 HydrophobicContact CD2-CE2 3.71Å; L2138-Y2142 WeakPolarHBondContact O-CD2 3.28Å; L2138-Y2142 PolarHBondContact O-N 3.41Å; K2139-Y2142 WeakPolarHBondContact CA-O 2.99Å |
| 2143 | T | 96.7 | Very high | 89.3 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 133.9 | 166.6 | -47.2 | 0 | 0 | 0 | 0 | 109.2 | A1949 E1973 K1974 N1975 D2112 I2113 L2114 | A1949-T2143 HydrophobicContact CB-CG2 3.95Å; E1973-T2143 WeakPolarHBondContact O-CG2 3.4Å; K1974-T2143 WeakPolarHBondContact CA-OG1 3.38Å; N1975-T2143 PolarHBondContact N-OG1 3.17Å; D2112-T2143 PolarHBondContact O-N 3.33Å; D2112-T2143 PolarHBondContact O-OG1 2.95Å; I2113-T2143 CarbonylContact C-O 2.92Å; I2113-T2143 WeakPolarHBondContact CA-O 3.31Å; L2114-T2143 PolarHBondContact N-O 3.27Å |
| 2144 | I | 97.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.5 | -171.7 | -66.7 | 173 | 0 | 0 | 0 | 110.3 | R1976 I1977 T1978 L2114 L2116 L2135 L2138 K2139 | R1976-I2144 PolarHBondContact O-N 3.07Å; I1977-I2144 CarbonylContact C-O 3.53Å; I1977-I2144 WeakPolarHBondContact CA-O 3.2Å; I1977-I2144 HydrophobicContact CB-CB 4.4Å; I1977-I2144 HydrophobicContact CB-CG2 4.41Å; I1977-I2144 HydrophobicContact CD1-CD1 4.49Å; I1977-I2144 HydrophobicContact CG1-CB 3.84Å; I1977-I2144 HydrophobicContact CG1-CD1 4.03Å; I1977-I2144 HydrophobicContact CG1-CG1 4.47Å; I1977-I2144 HydrophobicContact CG1-CG2 3.98Å; I1977-I2144 HydrophobicContact CG2-CG2 4.09Å; T1978-I2144 PolarHBondContact N-O 3.04Å; L2114-I2144 HydrophobicContact CB-CG1 4.4Å; L2114-I2144 WeakPolarHBondContact O-CA 3.33Å; L2116-I2144 HydrophobicContact CD1-CG2 3.63Å; L2135-I2144 HydrophobicContact CD2-CD1 4.47Å; L2135-I2144 WeakPolarHBondContact O-CD1 3.39Å; L2138-I2144 HydrophobicContact CB-CD1 4.02Å; K2139-I2144 HydrophobicContact CB-CD1 4.06Å |
| 2145 | I | 97.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 119.9 | 173.2 | -50.3 | 175.3 | 0 | 0 | 0 | 107.9 | F1972 T1978 L1980 L1992 L1995 I2113 L2114 L2115 L2116 | F1972-I2145 HydrophobicContact CB-CD1 4.28Å; F1972-I2145 HydrophobicContact CD1-CD1 3.55Å; F1972-I2145 HydrophobicContact CD1-CG1 3.76Å; F1972-I2145 HydrophobicContact CD1-CG2 4.39Å; F1972-I2145 HydrophobicContact CD2-CD1 3.86Å; F1972-I2145 HydrophobicContact CE1-CD1 3.77Å; F1972-I2145 HydrophobicContact CE1-CG1 4.03Å; F1972-I2145 HydrophobicContact CE1-CG2 3.82Å; F1972-I2145 HydrophobicContact CE2-CD1 4.07Å; F1972-I2145 HydrophobicContact CG-CD1 3.61Å; F1972-I2145 HydrophobicContact CG-CG1 4.23Å; F1972-I2145 HydrophobicContact CZ-CD1 4.04Å; F1972-I2145 HydrophobicContact CZ-CG2 4.33Å; T1978-I2145 WeakPolarHBondContact O-CA 3.39Å; L1980-I2145 HydrophobicContact CD1-CG2 4.34Å; L1980-I2145 HydrophobicContact CG-CG2 4.38Å; L1992-I2145 HydrophobicContact CD1-CB 4Å; L1992-I2145 HydrophobicContact CD1-CG2 3.62Å; L1995-I2145 HydrophobicContact CD1-CD1 3.7Å; I2113-I2145 HydrophobicContact CG2-CD1 4.4Å; L2114-I2145 PolarHBondContact O-N 2.98Å; L2115-I2145 CarbonylContact C-O 3.59Å; L2115-I2145 WeakPolarHBondContact CA-O 3.11Å; L2115-I2145 HydrophobicContact CD2-CB 3.9Å; L2115-I2145 HydrophobicContact CD2-CD1 3.83Å; L2115-I2145 HydrophobicContact CD2-CG1 4.14Å; L2116-I2145 PolarHBondContact N-O 3.33Å |
| 2146 | I | 95.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 127.1 | -172.7 | -178.4 | 176.1 | 0 | 0 | 0 | 111.2 | I1977 T1978 A1979 L1980 L2116 P2119 L2135 I2157 | I1977-I2146 HydrophobicContact CG2-CG2 3.8Å; T1978-I2146 WeakPolarHBondContact O-CG2 3.2Å; T1978-I2146 PolarHBondContact O-N 2.94Å; A1979-I2146 CarbonylContact C-O 3.54Å; A1979-I2146 VanDerWaalsContact CA-O 3.29Å; A1979-I2146 WeakPolarHBondContact CA-O 3.42Å; A1979-I2146 HydrophobicContact CB-CG2 4.06Å; L1980-I2146 PolarHBondContact N-O 2.6Å; L2116-I2146 HydrophobicContact CB-CG1 4.43Å; L2116-I2146 CarbonylContact O-C 3.56Å; L2116-I2146 WeakPolarHBondContact O-CA 3.45Å; P2119-I2146 HydrophobicContact CG-CD1 3.45Å; P2119-I2146 VanDerWaalsContact CG-CD1 3.45Å; P2119-I2146 HydrophobicContact CG-CG1 3.89Å; L2135-I2146 HydrophobicContact CD1-CD1 4.16Å; I2146-I2157 HydrophobicContact CD1-CD1 4.05Å |
| 2147 | V | 93.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 131.2 | 163 | 175.5 | 0 | 0 | 0 | 0 | 108 | L1980 K1988 L1992 L2116 E2118 | L1980-V2147 HydrophobicContact CB-CG2 4.24Å; L1980-V2147 HydrophobicContact CD1-CG2 4.01Å; L1980-V2147 HydrophobicContact CG-CG2 4.44Å; K1988-V2147 HydrophobicContact CB-CG1 3.65Å; K1988-V2147 HydrophobicContact CB-CG2 4.06Å; K1988-V2147 HydrophobicContact CD-CG1 4.24Å; L1992-V2147 HydrophobicContact CB-CG2 3.9Å; L1992-V2147 HydrophobicContact CD1-CG2 4.4Å; L1992-V2147 HydrophobicContact CD2-CG2 3.91Å; L1992-V2147 HydrophobicContact CG-CG2 4.28Å; L2116-V2147 PolarHBondContact O-N 2.84Å; E2118-V2147 WeakPolarHBondContact CA-O 3.36Å; E2118-V2147 HydrophobicContact CG-CG1 4.41Å; E2118-V2147 PolarHBondContact N-O 2.86Å |
| 2148 | T | 88.2 | Confident | 89.1 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | trans | -146.2 | 144.4 | 171 | -166.6 | 0 | 0 | 0 | 0 | 112.9 | L1980 I1981 N2150 Q2153 A2154 | L1980-T2148 PolarHBondContact O-N 2.93Å; I1981-T2148 HydrophobicContact CG2-CG2 4.15Å; T2148-N2150 PolarHBondContact OG1-N 3.43Å; T2148-N2150 VanDerWaalsContact OG1-N 3.12Å; T2148-Q2153 PolarHBondContact OG1-OE1 3.38Å; T2148-A2154 HydrophobicContact CG2-CB 3.89Å | ||
| 2149 | H | 78.6 | Confident | 89.2 | Confident | 65 Ų | 65 | 39.9 Ų | 39.9 | 30% | 0.301 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -92.2 | -12.6 | 167.1 | -86.6 | -85 | 0 | 0 | 0 | 112.4 | G1982 S1984 K1988 E2118 M2151 | G1982-H2149 PolarHBondContact O-CE1 3.46Å; G1982-H2149 PolarHBondContact O-ND1 2.96Å; S1984-H2149 PolarHBondContact N-CE1 2.83Å; S1984-H2149 PolarHBondContact OG-CE1 3.01Å; K1988-H2149 PolarHBondContact NZ-CE1 3.34Å; K1988-H2149 PolarHBondContact NZ-NE2 3.29Å; E2118-H2149 IonicContact OE1-CD2 3.69Å; E2118-H2149 PolarHBondContact OE1-CD2 3.42Å; H2149-M2151 PolarHBondContact O-N 2.71Å |
| 2150 | N | 79.7 | Confident | 89.3 | Confident | 63 Ų | 63 | 38.4 Ų | 38.4 | 34% | 0.337 | 19% | 0.187 | S | C | . | . | trans | -85.5 | 104.4 | 178.6 | -175.3 | -35.6 | 0 | 0 | 0 | 109.2 | T2148 Q2152 Q2153 A2154 | T2148-N2150 PolarHBondContact OG1-N 3.43Å; T2148-N2150 VanDerWaalsContact OG1-N 3.12Å; N2150-Q2152 VanDerWaalsContact C-N 3.33Å; N2150-Q2152 PolarHBondContact O-N 3.19Å; N2150-Q2152 PolarHBondContact OD1-N 2.6Å; N2150-Q2152 PolarHBondContact OD1-OE1 3.01Å; N2150-Q2153 HydrophobicContact CB-CB 3.8Å; N2150-Q2153 WeakPolarHBondContact O-CB 3.48Å; N2150-Q2153 PolarHBondContact O-N 2.97Å; N2150-Q2153 PolarHBondContact OD1-N 2.69Å; N2150-A2154 PolarHBondContact O-N 3.39Å | ||
| 2151 | M | 79.3 | Confident | 89.7 | Confident | 27 Ų | 27 | 31.3 Ų | 31.3 | 13% | 0.133 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -38.6 | -176.3 | -68.2 | -157.1 | 73.1 | 0 | 0 | 112.2 | I1981 H2149 Q2153 A2154 A2155 F2179 Y2190 V2191 | I1981-M2151 HydrophobicContact CD1-CE 4.03Å; H2149-M2151 PolarHBondContact O-N 2.71Å; M2151-Q2153 VanDerWaalsContact C-N 3.32Å; M2151-Q2153 PolarHBondContact O-N 3.39Å; M2151-A2154 PolarHBondContact O-N 3.47Å; M2151-A2155 WeakPolarHBondContact O-CB 3.47Å; M2151-A2155 PolarHBondContact O-N 2.82Å; M2151-F2179 HydrophobicContact CB-CE1 3.97Å; M2151-F2179 HydrophobicContact CB-CZ 4.47Å; M2151-F2179 HydrophobicContact CE-CD1 4.49Å; M2151-F2179 HydrophobicContact CE-CE1 3.63Å; M2151-F2179 HydrophobicContact CE-CZ 4.22Å; M2151-F2179 WeakPolarHBondContact O-CE1 3.31Å; M2151-F2179 VanDerWaalsContact O-CZ 3.26Å; M2151-F2179 WeakPolarHBondContact O-CZ 3.38Å; M2151-Y2190 HydrophobicContact CE-CD1 3.65Å; M2151-Y2190 HydrophobicContact CE-CE1 3.65Å; M2151-Y2190 HydrophobicContact CG-CE1 4.41Å; M2151-Y2190 HydrophobicContact SD-CD1 3.77Å; M2151-Y2190 HydrophobicContact SD-CE1 3.41Å; M2151-Y2190 WeakPolarHBondContact SD-CE1 3.38Å; M2151-V2191 HydrophobicContact CE-CB 4.08Å; M2151-V2191 HydrophobicContact CE-CG2 3.56Å |
| 2152 | Q | 80.8 | Confident | 89.9 | Confident | 123 Ų | 123 | 26.7 Ų | 26.7 | 58% | 0.575 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -69.7 | -29 | 177.3 | -59.6 | 79.1 | 4.8 | 0 | 0 | 112.1 | N2150 R2156 | N2150-Q2152 VanDerWaalsContact C-N 3.33Å; N2150-Q2152 PolarHBondContact O-N 3.19Å; N2150-Q2152 PolarHBondContact OD1-N 2.6Å; N2150-Q2152 PolarHBondContact OD1-OE1 3.01Å; Q2152-R2156 WeakPolarHBondContact O-CB 3.41Å; Q2152-R2156 WeakPolarHBondContact O-CG 3.38Å; Q2152-R2156 PolarHBondContact O-N 2.67Å; Q2152-R2156 VanDerWaalsContact O-N 3.15Å; Q2152-R2156 PolarHBondContact O-NH1 3.45Å; Q2152-R2156 VanDerWaalsContact O-NH1 3.16Å |
| 2153 | Q | 83.3 | Confident | 89.8 | Confident | 3 Ų | 3 | 26 Ų | 26 | 1% | 0.014 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.7 | -50 | 172 | 170.8 | 170.1 | 92 | 0 | 0 | 111.3 | A2120 E2132 T2148 N2150 M2151 A2155 R2156 I2157 | A2120-Q2153 VanDerWaalsContact CB-NE2 3.28Å; E2132-Q2153 HydrophobicContact CG-CG 4.25Å; E2132-Q2153 WeakPolarHBondContact OE1-CB 3.32Å; E2132-Q2153 WeakPolarHBondContact OE1-CG 3.46Å; E2132-Q2153 PolarHBondContact OE1-NE2 2.93Å; T2148-Q2153 PolarHBondContact OG1-OE1 3.38Å; N2150-Q2153 HydrophobicContact CB-CB 3.8Å; N2150-Q2153 WeakPolarHBondContact O-CB 3.48Å; N2150-Q2153 PolarHBondContact O-N 2.97Å; N2150-Q2153 PolarHBondContact OD1-N 2.69Å; M2151-Q2153 VanDerWaalsContact C-N 3.32Å; M2151-Q2153 PolarHBondContact O-N 3.39Å; Q2153-A2155 PolarHBondContact O-N 3.27Å; Q2153-R2156 PolarHBondContact O-N 2.99Å; Q2153-R2156 VanDerWaalsContact O-N 3.16Å; Q2153-I2157 HydrophobicContact CG-CD1 4.17Å; Q2153-I2157 HydrophobicContact CG-CG1 4.46Å; Q2153-I2157 WeakPolarHBondContact O-CG1 3.37Å; Q2153-I2157 PolarHBondContact O-N 3.28Å; Q2153-I2157 VanDerWaalsContact O-N 3.09Å |
| 2154 | A | 87.1 | Confident | 89.6 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.6 | -53.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A1979 I1981 T2148 N2150 M2151 R2156 I2157 S2158 F2179 | A1979-A2154 HydrophobicContact CB-CB 3.74Å; I1981-A2154 HydrophobicContact CG2-CB 3.84Å; T2148-A2154 HydrophobicContact CG2-CB 3.89Å; N2150-A2154 PolarHBondContact O-N 3.39Å; M2151-A2154 PolarHBondContact O-N 3.47Å; A2154-R2156 PolarHBondContact O-N 2.92Å; A2154-R2156 VanDerWaalsContact O-N 3.08Å; A2154-I2157 PolarHBondContact O-N 3.42Å; A2154-S2158 PolarHBondContact O-N 2.95Å; A2154-S2158 PolarHBondContact O-OG 2.85Å; A2154-F2179 HydrophobicContact CB-CE2 3.86Å; A2154-F2179 HydrophobicContact CB-CZ 3.76Å |
| 2155 | A | 85.2 | Confident | 89.1 | Confident | 35 Ų | 35 | 27.8 Ų | 27.8 | 29% | 0.289 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -54.6 | -29.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | M2151 Q2153 F2179 | M2151-A2155 WeakPolarHBondContact O-CB 3.47Å; M2151-A2155 PolarHBondContact O-N 2.82Å; Q2153-A2155 PolarHBondContact O-N 3.27Å; A2155-F2179 HydrophobicContact CB-CD1 4.01Å; A2155-F2179 HydrophobicContact CB-CD2 3.96Å; A2155-F2179 HydrophobicContact CB-CE1 4.18Å; A2155-F2179 HydrophobicContact CB-CE2 4.14Å; A2155-F2179 HydrophobicContact CB-CG 3.91Å; A2155-F2179 HydrophobicContact CB-CZ 4.26Å |
| 2156 | R | 84.1 | Confident | 88.3 | Confident | 139 Ų | 139 | 33.1 Ų | 33.1 | 53% | 0.525 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -81.7 | -39.5 | 177 | -80.3 | -168.5 | -56.9 | -82.9 | -0.5 | 114.8 | E2132 Q2152 Q2153 A2154 | E2132-R2156 IonicContact OE1-CZ 3.28Å; E2132-R2156 IonicContact OE1-NH2 2.65Å; E2132-R2156 PolarHBondContact OE1-NH2 3Å; E2132-R2156 IonicContact OE2-CZ 2.82Å; E2132-R2156 IonicContact OE2-NE 3.7Å; E2132-R2156 PolarHBondContact OE2-NE 3.13Å; E2132-R2156 IonicContact OE2-NH2 3.31Å; E2132-R2156 PolarHBondContact OE2-NH2 2.89Å; Q2152-R2156 WeakPolarHBondContact O-CB 3.41Å; Q2152-R2156 WeakPolarHBondContact O-CG 3.38Å; Q2152-R2156 PolarHBondContact O-N 2.67Å; Q2152-R2156 VanDerWaalsContact O-N 3.15Å; Q2152-R2156 PolarHBondContact O-NH1 3.45Å; Q2152-R2156 VanDerWaalsContact O-NH1 3.16Å; Q2153-R2156 PolarHBondContact O-N 2.99Å; Q2153-R2156 VanDerWaalsContact O-N 3.16Å; A2154-R2156 PolarHBondContact O-N 2.92Å; A2154-R2156 VanDerWaalsContact O-N 3.08Å |
| 2157 | I | 90.6 | Very high | 87.8 | Confident | 10 Ų | 10 | 33.2 Ų | 33.2 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -115.9 | -23.4 | -165.3 | 75.8 | 173.9 | 0 | 0 | 0 | 115.7 | I1977 E2132 L2135 V2136 I2146 Q2153 A2154 | I1977-I2157 HydrophobicContact CD1-CB 4.41Å; I1977-I2157 WeakPolarHBondContact CD1-O 3.35Å; I1977-I2157 HydrophobicContact CG2-CG1 4.36Å; E2132-I2157 HydrophobicContact CB-CG2 3.93Å; E2132-I2157 HydrophobicContact CG-CD1 4.44Å; E2132-I2157 HydrophobicContact CG-CG2 4.16Å; L2135-I2157 HydrophobicContact CB-CD1 4.4Å; L2135-I2157 HydrophobicContact CD1-CD1 3.97Å; V2136-I2157 HydrophobicContact CG2-CB 4.03Å; V2136-I2157 HydrophobicContact CG2-CG2 3.89Å; I2146-I2157 HydrophobicContact CD1-CD1 4.05Å; Q2153-I2157 HydrophobicContact CG-CD1 4.17Å; Q2153-I2157 HydrophobicContact CG-CG1 4.46Å; Q2153-I2157 WeakPolarHBondContact O-CG1 3.37Å; Q2153-I2157 PolarHBondContact O-N 3.28Å; Q2153-I2157 VanDerWaalsContact O-N 3.09Å; A2154-I2157 PolarHBondContact O-N 3.42Å |
| 2158 | S | 93.3 | Very high | 87.5 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | trans | -88.1 | 140.4 | -176.5 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | I1977 A1979 A2154 Y2160 T2161 T2175 | I1977-S2158 CarbonylContact O-C 3.59Å; I1977-S2158 WeakPolarHBondContact O-CA 3.43Å; I1977-S2158 WeakPolarHBondContact O-CB 3.2Å; A1979-S2158 VanDerWaalsContact CB-OG 3.23Å; A1979-S2158 WeakPolarHBondContact CB-OG 3.49Å; A2154-S2158 PolarHBondContact O-N 2.95Å; A2154-S2158 PolarHBondContact O-OG 2.85Å; S2158-Y2160 WeakPolarHBondContact CB-O 3.47Å; S2158-T2161 PolarHBondContact OG-OG1 3.37Å; S2158-T2175 WeakPolarHBondContact CB-OG1 3.45Å; S2158-T2175 WeakPolarHBondContact O-CB 3.4Å; S2158-T2175 WeakPolarHBondContact O-CG2 3.33Å; S2158-T2175 PolarHBondContact O-OG1 3.45Å; S2158-T2175 PolarHBondContact OG-OG1 3.38Å | ||
| 2159 | D | 94.7 | Very high | 87.6 | Confident | 46 Ų | 46 | 36.5 Ų | 36.5 | 25% | 0.246 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -76.2 | -42.1 | 170.5 | -57.5 | -70.9 | 0 | 0 | 0 | 110.7 | R1976 I1977 K2139 T2175 | R1976-D2159 WeakPolarHBondContact CA-OD2 3.35Å; R1976-D2159 HydrophobicContact CB-CB 4.19Å; R1976-D2159 HydrophobicContact CG-CB 4.49Å; I1977-D2159 PolarHBondContact N-OD2 2.95Å; I1977-D2159 PolarHBondContact O-N 2.9Å; K2139-D2159 IonicContact NZ-OD1 2.8Å; K2139-D2159 PolarHBondContact NZ-OD1 3.31Å; K2139-D2159 IonicContact NZ-OD2 3.26Å; K2139-D2159 PolarHBondContact NZ-OD2 2.89Å; D2159-T2175 VanDerWaalsContact C-OG1 3.24Å; D2159-T2175 PolarHBondContact O-N 3.39Å; D2159-T2175 PolarHBondContact O-OG1 2.99Å |
| 2160 | Y | 95.8 | Very high | 88 | Confident | 15 Ų | 15 | 33.4 Ų | 33.4 | 6% | 0.059 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 151.7 | 177 | -59.9 | -78.8 | 0 | 0 | 0 | 112.1 | I1942 M1944 P1945 E1973 R1976 I1977 T1978 A1979 S2158 E2174 T2175 | I1942-Y2160 HydrophobicContact CD1-CD1 4.47Å; I1942-Y2160 HydrophobicContact CD1-CE1 4.38Å; M1944-Y2160 HydrophobicContact CE-CD1 3.58Å; M1944-Y2160 HydrophobicContact CE-CE1 3.6Å; M1944-Y2160 HydrophobicContact CE-CG 4.08Å; M1944-Y2160 HydrophobicContact SD-CD1 3.77Å; M1944-Y2160 HydrophobicContact SD-CD2 3.66Å; M1944-Y2160 HydrophobicContact SD-CE1 3.67Å; M1944-Y2160 HydrophobicContact SD-CE2 3.53Å; M1944-Y2160 VanDerWaalsContact SD-CE2 3.53Å; M1944-Y2160 HydrophobicContact SD-CG 3.77Å; M1944-Y2160 VanDerWaalsContact SD-CZ 3.53Å; P1945-Y2160 WeakPolarHBondContact CD-OH 3.37Å; E1973-Y2160 HydrophobicContact CB-CE2 4.05Å; E1973-Y2160 WeakPolarHBondContact OE2-CE2 3.48Å; E1973-Y2160 PolarHBondContact OE2-OH 2.75Å; R1976-Y2160 HydrophobicContact CG-CE2 4.21Å; I1977-Y2160 PolarHBondContact O-N 3.42Å; T1978-Y2160 CarbonylContact C-O 3.55Å; T1978-Y2160 WeakPolarHBondContact CA-O 3.33Å; A1979-Y2160 PolarHBondContact N-O 2.88Å; S2158-Y2160 WeakPolarHBondContact CB-O 3.47Å; Y2160-E2174 HydrophobicContact CD1-CB 4.41Å; Y2160-E2174 HydrophobicContact CD1-CG 3.92Å; Y2160-E2174 HydrophobicContact CE1-CG 3.67Å; Y2160-T2175 WeakPolarHBondContact CA-OG1 3.43Å; Y2160-T2175 PolarHBondContact N-OG1 3.37Å; Y2160-T2175 PolarHBondContact O-OG1 2.91Å |
| 2161 | T | 96.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 133.4 | 179.7 | -67 | 0 | 0 | 0 | 0 | 112.6 | A1979 I1981 S2158 Y2172 D2173 T2175 I2178 F2179 | A1979-T2161 CarbonylContact O-C 3.46Å; A1979-T2161 WeakPolarHBondContact O-CA 3.43Å; I1981-T2161 HydrophobicContact CD1-CG2 3.53Å; I1981-T2161 HydrophobicContact CG1-CG2 3.66Å; I1981-T2161 HydrophobicContact CG2-CG2 4.22Å; S2158-T2161 PolarHBondContact OG-OG1 3.37Å; T2161-Y2172 WeakPolarHBondContact O-CD2 3.48Å; T2161-D2173 PolarHBondContact N-O 2.72Å; T2161-D2173 PolarHBondContact O-N 2.87Å; T2161-T2175 WeakPolarHBondContact OG1-CA 3.27Å; T2161-T2175 WeakPolarHBondContact OG1-CB 3.42Å; T2161-T2175 WeakPolarHBondContact OG1-CG2 2.97Å; T2161-T2175 PolarHBondContact OG1-OG1 2.75Å; T2161-I2178 HydrophobicContact CG2-CB 4.32Å; T2161-I2178 HydrophobicContact CG2-CG1 4.37Å; T2161-I2178 HydrophobicContact CG2-CG2 3.93Å; T2161-I2178 WeakPolarHBondContact O-CG1 3.27Å; T2161-F2179 HydrophobicContact CG2-CE2 4Å |
| 2162 | A | 94.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 122.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1979 L1980 I1981 F2164 E2171 Y2172 | A1979-A2162 PolarHBondContact O-N 3.12Å; L1980-A2162 HydrophobicContact CD2-CB 3.89Å; I1981-A2162 WeakPolarHBondContact CG1-O 3.44Å; I1981-A2162 PolarHBondContact N-O 3.14Å; A2162-F2164 HydrophobicContact CB-CD2 4.31Å; A2162-F2164 HydrophobicContact CB-CE2 3.94Å; A2162-E2171 CarbonylContact C-O 3.48Å; A2162-E2171 VanDerWaalsContact CA-O 3.28Å; A2162-E2171 WeakPolarHBondContact CA-O 3.44Å; A2162-Y2172 HydrophobicContact CB-CD2 3.61Å; A2162-Y2172 HydrophobicContact CB-CE2 4.22Å; A2162-Y2172 HydrophobicContact CB-CG 4.34Å |
| 2163 | F | 93.6 | Very high | 90 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 117.1 | 173.1 | 176.7 | -128 | 0 | 0 | 0 | 111.1 | I1981 V2169 I2170 E2171 T2187 Y2190 | I1981-F2163 HydrophobicContact CD1-CB 4.46Å; I1981-F2163 HydrophobicContact CG1-CB 4.2Å; I1981-F2163 HydrophobicContact CG1-CD2 4.33Å; F2163-V2169 CarbonylContact O-C 3.53Å; F2163-I2170 HydrophobicContact CD1-CB 3.57Å; F2163-I2170 HydrophobicContact CD1-CG1 4.14Å; F2163-I2170 HydrophobicContact CD1-CG2 3.67Å; F2163-I2170 HydrophobicContact CE1-CB 3.98Å; F2163-I2170 HydrophobicContact CE1-CG1 4.11Å; F2163-I2170 HydrophobicContact CE1-CG2 3.94Å; F2163-I2170 HydrophobicContact CG-CB 4.47Å; F2163-I2170 PolarHBondContact O-N 3.18Å; F2163-E2171 HydrophobicContact CB-CB 4.32Å; F2163-E2171 PolarHBondContact N-O 2.86Å; F2163-E2171 PolarHBondContact O-N 2.84Å; F2163-T2187 HydrophobicContact CB-CG2 4.35Å; F2163-T2187 HydrophobicContact CD1-CG2 3.92Å; F2163-T2187 VanDerWaalsContact CD1-OG1 3.24Å; F2163-T2187 WeakPolarHBondContact CD1-OG1 3.21Å; F2163-T2187 HydrophobicContact CE1-CG2 4.49Å; F2163-T2187 HydrophobicContact CG-CG2 4.22Å; F2163-Y2190 AromaticContact CD2-CD1 3.91Å; F2163-Y2190 HydrophobicContact CD2-CD1 3.91Å; F2163-Y2190 HydrophobicContact CD2-CE1 4.17Å; F2163-Y2190 AromaticContact CE2-CD1 3.35Å; F2163-Y2190 HydrophobicContact CE2-CD1 3.35Å; F2163-Y2190 HydrophobicContact CE2-CD2 4.07Å; F2163-Y2190 AromaticContact CE2-CE1 3.77Å; F2163-Y2190 HydrophobicContact CE2-CE1 3.77Å; F2163-Y2190 HydrophobicContact CE2-CE2 4.41Å; F2163-Y2190 AromaticContact CE2-CG 3.55Å; F2163-Y2190 HydrophobicContact CE2-CG 3.55Å; F2163-Y2190 HydrophobicContact CZ-CD1 4.06Å; F2163-Y2190 HydrophobicContact CZ-CD2 4.36Å; F2163-Y2190 AromaticContact CZ-CG 3.84Å; F2163-Y2190 HydrophobicContact CZ-CG 3.84Å |
| 2164 | F | 91.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135.2 | 178.3 | -80.3 | -106.8 | 0 | 0 | 0 | 111.8 | I1965 V1968 L1970 L1980 I1981 C1986 K1988 Y1991 A2162 H2168 V2169 | I1965-F2164 HydrophobicContact CD1-CD1 4.47Å; I1965-F2164 HydrophobicContact CD1-CE1 4Å; V1968-F2164 HydrophobicContact CG1-CE1 4.46Å; V1968-F2164 HydrophobicContact CG1-CZ 4.32Å; V1968-F2164 HydrophobicContact CG2-CE1 4.37Å; L1970-F2164 HydrophobicContact CD1-CE2 4.48Å; L1970-F2164 HydrophobicContact CD1-CZ 4.26Å; L1980-F2164 HydrophobicContact CB-CD2 4.4Å; L1980-F2164 HydrophobicContact CB-CE2 4.14Å; L1980-F2164 HydrophobicContact CD1-CE2 4.39Å; L1980-F2164 HydrophobicContact CD2-CE2 4.14Å; L1980-F2164 HydrophobicContact CG-CE2 4.44Å; I1981-F2164 PolarHBondContact O-N 3.35Å; C1986-F2164 HydrophobicContact CB-CB 4.2Å; C1986-F2164 WeakPolarHBondContact CB-O 3.18Å; C1986-F2164 WeakPolarHBondContact SG-CB 3.47Å; C1986-F2164 PolarHBondContact SG-O 3.42Å; K1988-F2164 HydrophobicContact CG-CB 3.98Å; K1988-F2164 HydrophobicContact CG-CD2 4.26Å; K1988-F2164 HydrophobicContact CG-CG 4.13Å; Y1991-F2164 HydrophobicContact CD1-CZ 4.4Å; Y1991-F2164 HydrophobicContact CD2-CZ 4.39Å; Y1991-F2164 HydrophobicContact CG-CE1 4.47Å; Y1991-F2164 HydrophobicContact CG-CZ 4.09Å; A2162-F2164 HydrophobicContact CB-CD2 4.31Å; A2162-F2164 HydrophobicContact CB-CE2 3.94Å; F2164-H2168 CarbonylContact C-O 3.58Å; F2164-H2168 WeakPolarHBondContact CA-O 3.35Å; F2164-V2169 HydrophobicContact CD1-CG2 4.1Å; F2164-V2169 HydrophobicContact CD2-CG2 4.09Å; F2164-V2169 HydrophobicContact CE1-CG2 3.68Å; F2164-V2169 HydrophobicContact CE2-CG2 3.66Å; F2164-V2169 HydrophobicContact CG-CG2 4.3Å; F2164-V2169 HydrophobicContact CZ-CG2 3.45Å; F2164-V2169 VanDerWaalsContact CZ-CG2 3.45Å |
| 2165 | Y | 86.5 | Confident | 90.6 | Very high | 41 Ų | 41 | 26.4 Ų | 26.4 | 16% | 0.161 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 132.7 | 170.6 | -171 | -126 | 0 | 0 | 0 | 110.6 | E1937 P1983 G2167 H2168 I2170 F2195 | E1937-Y2165 VanDerWaalsContact OE1-CD1 3.27Å; E1937-Y2165 WeakPolarHBondContact OE1-CD1 3.28Å; E1937-Y2165 WeakPolarHBondContact OE1-CE1 3.29Å; P1983-Y2165 HydrophobicContact CG-CD2 4.07Å; P1983-Y2165 HydrophobicContact CG-CE2 4.39Å; Y2165-G2167 VanDerWaalsContact C-N 3.25Å; Y2165-G2167 PolarHBondContact O-N 2.84Å; Y2165-G2167 VanDerWaalsContact O-N 3.1Å; Y2165-H2168 PolarHBondContact N-O 3.15Å; Y2165-H2168 PolarHBondContact O-N 2.91Å; Y2165-H2168 VanDerWaalsContact O-O 3.12Å; Y2165-I2170 HydrophobicContact CD1-CD1 4.31Å; Y2165-F2195 HydrophobicContact CE2-CZ 4.14Å |
| 2166 | L | 82.1 | Confident | 90.5 | Very high | 112 Ų | 112 | 25.2 Ų | 25.2 | 59% | 0.586 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 35.7 | 177.1 | -59.5 | 176.4 | 0 | 0 | 0 | 116.2 | ||
| 2167 | G | 83 | Confident | 90.5 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -1.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I1965 K1966 C1986 Y2165 | I1965-G2167 WeakPolarHBondContact CA-O 3.48Å; K1966-G2167 PolarHBondContact N-O 2.98Å; C1986-G2167 WeakPolarHBondContact O-CA 3.35Å; C1986-G2167 PolarHBondContact O-N 2.84Å; Y2165-G2167 VanDerWaalsContact C-N 3.25Å; Y2165-G2167 PolarHBondContact O-N 2.84Å; Y2165-G2167 VanDerWaalsContact O-N 3.1Å |
| 2168 | H | 88.6 | Confident | 90.3 | Very high | 64 Ų | 64 | 21.4 Ų | 21.4 | 30% | 0.296 | 11% | 0.106 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 152.5 | 178.4 | -55 | -89.3 | 0 | 0 | 0 | 111.4 | K1966 F2164 Y2165 I2170 | K1966-H2168 WeakPolarHBondContact CB-CE1 3.29Å; K1966-H2168 VanDerWaalsContact CB-ND1 3.35Å; K1966-H2168 WeakPolarHBondContact CB-ND1 3.48Å; K1966-H2168 VanDerWaalsContact CD-NE2 3.34Å; K1966-H2168 WeakPolarHBondContact CD-NE2 3.23Å; K1966-H2168 PolarHBondContact O-ND1 3.24Å; F2164-H2168 CarbonylContact C-O 3.58Å; F2164-H2168 WeakPolarHBondContact CA-O 3.35Å; Y2165-H2168 PolarHBondContact N-O 3.15Å; Y2165-H2168 PolarHBondContact O-N 2.91Å; Y2165-H2168 VanDerWaalsContact O-O 3.12Å; H2168-I2170 PolarHBondContact O-N 3.38Å |
| 2169 | V | 90.2 | Very high | 89.7 | Confident | 8 Ų | 8 | 22.3 Ų | 22.3 | 5% | 0.048 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 119.3 | 162.4 | 177 | 0 | 0 | 0 | 0 | 108.8 | R1939 I1941 V1968 L1970 F2163 F2164 E2171 | R1939-V2169 PolarHBondContact NH1-O 2.88Å; I1941-V2169 HydrophobicContact CD1-CB 3.87Å; I1941-V2169 HydrophobicContact CD1-CG1 3.68Å; I1941-V2169 HydrophobicContact CG1-CG1 3.9Å; V1968-V2169 HydrophobicContact CG1-CG2 3.65Å; V1968-V2169 HydrophobicContact CG2-CG2 4.24Å; L1970-V2169 HydrophobicContact CD1-CG2 4.27Å; L1970-V2169 HydrophobicContact CD2-CG2 4.39Å; F2163-V2169 CarbonylContact O-C 3.53Å; F2164-V2169 HydrophobicContact CD1-CG2 4.1Å; F2164-V2169 HydrophobicContact CD2-CG2 4.09Å; F2164-V2169 HydrophobicContact CE1-CG2 3.68Å; F2164-V2169 HydrophobicContact CE2-CG2 3.66Å; F2164-V2169 HydrophobicContact CG-CG2 4.3Å; F2164-V2169 HydrophobicContact CZ-CG2 3.45Å; F2164-V2169 VanDerWaalsContact CZ-CG2 3.45Å; V2169-E2171 WeakPolarHBondContact CG1-O 3.42Å |
| 2170 | I | 87.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -47.8 | 170.4 | -66.9 | -81.1 | 0 | 0 | 0 | 109 | E1937 R1939 N1940 F2163 Y2165 H2168 I2184 | E1937-I2170 HydrophobicContact CG-CD1 4.49Å; E1937-I2170 WeakPolarHBondContact OE1-CD1 3.3Å; R1939-I2170 CarbonylContact C-O 3.55Å; R1939-I2170 VanDerWaalsContact CA-O 3.3Å; R1939-I2170 WeakPolarHBondContact CA-O 3.48Å; R1939-I2170 HydrophobicContact CG-CD1 4.3Å; R1939-I2170 VanDerWaalsContact NH1-CD1 3.3Å; N1940-I2170 PolarHBondContact N-O 3.47Å; F2163-I2170 HydrophobicContact CD1-CB 3.57Å; F2163-I2170 HydrophobicContact CD1-CG1 4.14Å; F2163-I2170 HydrophobicContact CD1-CG2 3.67Å; F2163-I2170 HydrophobicContact CE1-CB 3.98Å; F2163-I2170 HydrophobicContact CE1-CG1 4.11Å; F2163-I2170 HydrophobicContact CE1-CG2 3.94Å; F2163-I2170 HydrophobicContact CG-CB 4.47Å; F2163-I2170 PolarHBondContact O-N 3.18Å; Y2165-I2170 HydrophobicContact CD1-CD1 4.31Å; H2168-I2170 PolarHBondContact O-N 3.38Å; I2170-I2184 HydrophobicContact CG2-CB 4.26Å; I2170-I2184 HydrophobicContact CG2-CG1 4.18Å; I2170-I2184 HydrophobicContact CG2-CG2 3.69Å |
| 2171 | E | 92.6 | Very high | 88 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 137.3 | -175.9 | -151.4 | 166.7 | -178.6 | 0 | 0 | 113.4 | N1940 A2162 F2163 V2169 I2178 P2182 K2183 I2184 T2187 | N1940-E2171 HydrophobicContact CB-CG 3.98Å; N1940-E2171 VanDerWaalsContact ND2-CG 3.33Å; N1940-E2171 WeakPolarHBondContact ND2-CG 3.4Å; N1940-E2171 PolarHBondContact ND2-OE1 2.52Å; N1940-E2171 CarbonylContact O-C 3.58Å; N1940-E2171 WeakPolarHBondContact O-CA 3.26Å; N1940-E2171 WeakPolarHBondContact O-CG 3.5Å; A2162-E2171 CarbonylContact C-O 3.48Å; A2162-E2171 VanDerWaalsContact CA-O 3.28Å; A2162-E2171 WeakPolarHBondContact CA-O 3.44Å; F2163-E2171 HydrophobicContact CB-CB 4.32Å; F2163-E2171 PolarHBondContact N-O 2.86Å; F2163-E2171 PolarHBondContact O-N 2.84Å; V2169-E2171 WeakPolarHBondContact CG1-O 3.42Å; E2171-I2178 HydrophobicContact CB-CD1 3.92Å; E2171-I2178 HydrophobicContact CG-CD1 3.49Å; E2171-I2178 VanDerWaalsContact CG-CD1 3.49Å; E2171-P2182 WeakPolarHBondContact OE2-CB 3.38Å; E2171-K2183 WeakPolarHBondContact OE1-CB 3.22Å; E2171-K2183 PolarHBondContact OE1-N 3.06Å; E2171-K2183 PolarHBondContact OE2-N 3.23Å; E2171-I2184 HydrophobicContact CB-CG1 4.48Å; E2171-I2184 HydrophobicContact CG-CG1 4.32Å; E2171-T2187 WeakPolarHBondContact OE2-CB 3.41Å; E2171-T2187 PolarHBondContact OE2-OG1 2.73Å |
| 2172 | Y | 95.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 118.5 | 169.7 | -177.6 | -131.9 | 0 | 0 | 0 | 110 | N1940 I1941 I1942 M1944 L1970 E1971 T1978 T2161 A2162 | N1940-Y2172 PolarHBondContact O-N 2.82Å; I1941-Y2172 HydrophobicContact CG2-CD1 4.28Å; I1942-Y2172 HydrophobicContact CG1-CD1 4.38Å; I1942-Y2172 PolarHBondContact N-O 2.52Å; M1944-Y2172 HydrophobicContact CE-CD1 4.41Å; M1944-Y2172 HydrophobicContact CE-CE1 3.61Å; M1944-Y2172 HydrophobicContact SD-CE1 4.4Å; L1970-Y2172 HydrophobicContact CD2-CD1 3.34Å; L1970-Y2172 HydrophobicContact CD2-CD2 4.07Å; L1970-Y2172 HydrophobicContact CD2-CE1 3.71Å; L1970-Y2172 HydrophobicContact CD2-CE2 4.39Å; L1970-Y2172 HydrophobicContact CD2-CG 3.52Å; E1971-Y2172 PolarHBondContact O-OH 2.51Å; T1978-Y2172 HydrophobicContact CG2-CE2 3.77Å; T2161-Y2172 WeakPolarHBondContact O-CD2 3.48Å; A2162-Y2172 HydrophobicContact CB-CD2 3.61Å; A2162-Y2172 HydrophobicContact CB-CE2 4.22Å; A2162-Y2172 HydrophobicContact CB-CG 4.34Å |
| 2173 | D | 93.6 | Very high | 86.6 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | -177.2 | -179.1 | -139.5 | -49.2 | 0 | 0 | 0 | 108.8 | I1942 T2161 K2177 I2178 K2183 | I1942-D2173 HydrophobicContact CG2-CB 4.38Å; T2161-D2173 PolarHBondContact N-O 2.72Å; T2161-D2173 PolarHBondContact O-N 2.87Å; D2173-K2177 HydrophobicContact CB-CB 4.22Å; D2173-K2177 WeakPolarHBondContact OD1-CD 3.35Å; D2173-K2177 IonicContact OD1-NZ 3.78Å; D2173-I2178 HydrophobicContact CB-CD1 3.74Å; D2173-I2178 HydrophobicContact CB-CG1 4.05Å; D2173-K2183 VanDerWaalsContact OD2-CE 3.32Å; D2173-K2183 WeakPolarHBondContact OD2-CE 3.46Å; D2173-K2183 IonicContact OD2-NZ 3.86Å; D2173-K2183 PolarHBondContact OD2-NZ 3.12Å |
| 2174 | E | 91 | Very high | 86.1 | Confident | 60 Ų | 60 | 27.4 Ų | 27.4 | 28% | 0.28 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 142.4 | 166.9 | -69.1 | 150.4 | -143.4 | 0 | 0 | 110.2 | Y2160 A2176 K2177 I2178 | Y2160-E2174 HydrophobicContact CD1-CB 4.41Å; Y2160-E2174 HydrophobicContact CD1-CG 3.92Å; Y2160-E2174 HydrophobicContact CE1-CG 3.67Å; E2174-A2176 PolarHBondContact O-N 3.09Å; E2174-A2176 VanDerWaalsContact O-N 3.16Å; E2174-K2177 HydrophobicContact CB-CD 4.05Å; E2174-K2177 HydrophobicContact CB-CG 4.29Å; E2174-K2177 HydrophobicContact CG-CD 4.47Å; E2174-K2177 WeakPolarHBondContact O-CA 3.45Å; E2174-K2177 WeakPolarHBondContact O-CB 3.46Å; E2174-K2177 PolarHBondContact O-N 3.16Å; E2174-K2177 IonicContact OE1-NZ 2.81Å; E2174-K2177 PolarHBondContact OE1-NZ 3.31Å; E2174-K2177 WeakPolarHBondContact OE2-CE 3.4Å; E2174-K2177 IonicContact OE2-NZ 2.85Å; E2174-K2177 PolarHBondContact OE2-NZ 2.77Å; E2174-I2178 PolarHBondContact O-N 3.18Å; E2174-I2178 VanDerWaalsContact O-N 3.16Å |
| 2175 | T | 91.6 | Very high | 85.1 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -50 | -48 | -179.1 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | S2158 D2159 Y2160 T2161 K2177 I2178 F2179 | S2158-T2175 WeakPolarHBondContact CB-OG1 3.45Å; S2158-T2175 WeakPolarHBondContact O-CB 3.4Å; S2158-T2175 WeakPolarHBondContact O-CG2 3.33Å; S2158-T2175 PolarHBondContact O-OG1 3.45Å; S2158-T2175 PolarHBondContact OG-OG1 3.38Å; D2159-T2175 VanDerWaalsContact C-OG1 3.24Å; D2159-T2175 PolarHBondContact O-N 3.39Å; D2159-T2175 PolarHBondContact O-OG1 2.99Å; Y2160-T2175 WeakPolarHBondContact CA-OG1 3.43Å; Y2160-T2175 PolarHBondContact N-OG1 3.37Å; Y2160-T2175 PolarHBondContact O-OG1 2.91Å; T2161-T2175 WeakPolarHBondContact OG1-CA 3.27Å; T2161-T2175 WeakPolarHBondContact OG1-CB 3.42Å; T2161-T2175 WeakPolarHBondContact OG1-CG2 2.97Å; T2161-T2175 PolarHBondContact OG1-OG1 2.75Å; T2175-K2177 PolarHBondContact O-N 2.89Å; T2175-K2177 VanDerWaalsContact O-N 3.16Å; T2175-I2178 PolarHBondContact O-N 2.99Å; T2175-I2178 VanDerWaalsContact O-N 3.11Å; T2175-F2179 HydrophobicContact CG2-CD2 3.62Å; T2175-F2179 HydrophobicContact CG2-CE2 3.87Å; T2175-F2179 WeakPolarHBondContact O-CD2 3.31Å; T2175-F2179 PolarHBondContact O-N 3.13Å |
| 2176 | A | 83 | Confident | 84.6 | Confident | 11 Ų | 11 | 28.6 Ų | 28.6 | 9% | 0.091 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -78 | 9.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1480 E1481 E2174 T2180 | Q1480-A2176 CarbonylContact C-O 3.51Å; Q1480-A2176 VanDerWaalsContact CA-O 3.22Å; Q1480-A2176 WeakPolarHBondContact CA-O 3.42Å; Q1480-A2176 HydrophobicContact CG-CB 3.4Å; E1481-A2176 PolarHBondContact N-O 3.37Å; E1481-A2176 WeakPolarHBondContact O-CB 3.47Å; E2174-A2176 PolarHBondContact O-N 3.09Å; E2174-A2176 VanDerWaalsContact O-N 3.16Å; A2176-T2180 VanDerWaalsContact C-CG2 3.49Å; A2176-T2180 WeakPolarHBondContact O-CB 3.21Å; A2176-T2180 WeakPolarHBondContact O-CG2 3.4Å; A2176-T2180 PolarHBondContact O-OG1 3.12Å |
| 2177 | K | 85 | Confident | 84.5 | Confident | 68 Ų | 68 | 23.2 Ų | 23.2 | 30% | 0.296 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -103.1 | -33.5 | 160.9 | -70.3 | 169.1 | 178.5 | 161.9 | 0 | 112 | D2173 E2174 T2175 T2180 R2181 | D2173-K2177 HydrophobicContact CB-CB 4.22Å; D2173-K2177 WeakPolarHBondContact OD1-CD 3.35Å; D2173-K2177 IonicContact OD1-NZ 3.78Å; E2174-K2177 HydrophobicContact CB-CD 4.05Å; E2174-K2177 HydrophobicContact CB-CG 4.29Å; E2174-K2177 HydrophobicContact CG-CD 4.47Å; E2174-K2177 WeakPolarHBondContact O-CA 3.45Å; E2174-K2177 WeakPolarHBondContact O-CB 3.46Å; E2174-K2177 PolarHBondContact O-N 3.16Å; E2174-K2177 IonicContact OE1-NZ 2.81Å; E2174-K2177 PolarHBondContact OE1-NZ 3.31Å; E2174-K2177 WeakPolarHBondContact OE2-CE 3.4Å; E2174-K2177 IonicContact OE2-NZ 2.85Å; E2174-K2177 PolarHBondContact OE2-NZ 2.77Å; T2175-K2177 PolarHBondContact O-N 2.89Å; T2175-K2177 VanDerWaalsContact O-N 3.16Å; K2177-T2180 WeakPolarHBondContact CA-OG1 3.49Å; K2177-T2180 PolarHBondContact O-OG1 3.17Å; K2177-R2181 CarbonylContact O-C 3.6Å; K2177-R2181 VanDerWaalsContact O-C 3.26Å; K2177-R2181 PolarHBondContact O-N 3.29Å |
| 2178 | I | 85.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.7 | -42.6 | 176.5 | -62.2 | -64.4 | 0 | 0 | 0 | 112.3 | I1981 T2161 E2171 D2173 E2174 T2175 T2180 P2182 T2187 | I1981-I2178 HydrophobicContact CD1-CG2 4.29Å; T2161-I2178 HydrophobicContact CG2-CB 4.32Å; T2161-I2178 HydrophobicContact CG2-CG1 4.37Å; T2161-I2178 HydrophobicContact CG2-CG2 3.93Å; T2161-I2178 WeakPolarHBondContact O-CG1 3.27Å; E2171-I2178 HydrophobicContact CB-CD1 3.92Å; E2171-I2178 HydrophobicContact CG-CD1 3.49Å; E2171-I2178 VanDerWaalsContact CG-CD1 3.49Å; D2173-I2178 HydrophobicContact CB-CD1 3.74Å; D2173-I2178 HydrophobicContact CB-CG1 4.05Å; E2174-I2178 PolarHBondContact O-N 3.18Å; E2174-I2178 VanDerWaalsContact O-N 3.16Å; T2175-I2178 PolarHBondContact O-N 2.99Å; T2175-I2178 VanDerWaalsContact O-N 3.11Å; I2178-T2180 PolarHBondContact O-N 3.25Å; I2178-P2182 WeakPolarHBondContact O-CB 3.17Å; I2178-P2182 VanDerWaalsContact O-CD 3.29Å; I2178-P2182 WeakPolarHBondContact O-CD 3.38Å; I2178-P2182 VanDerWaalsContact O-CG 3.29Å; I2178-P2182 WeakPolarHBondContact O-CG 3.18Å; I2178-T2187 HydrophobicContact CG2-CG2 4.19Å |
| 2179 | F | 81.2 | Confident | 83.3 | Confident | 30 Ų | 30 | 23.5 Ų | 23.5 | 13% | 0.132 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 1.1 | -172.8 | -84.1 | -76.9 | 0 | 0 | 0 | 115.4 | I1981 M2151 A2154 A2155 T2161 T2175 V2191 | I1981-F2179 HydrophobicContact CD1-CE2 4.47Å; I1981-F2179 HydrophobicContact CD1-CZ 4Å; M2151-F2179 HydrophobicContact CB-CE1 3.97Å; M2151-F2179 HydrophobicContact CB-CZ 4.47Å; M2151-F2179 HydrophobicContact CE-CD1 4.49Å; M2151-F2179 HydrophobicContact CE-CE1 3.63Å; M2151-F2179 HydrophobicContact CE-CZ 4.22Å; M2151-F2179 WeakPolarHBondContact O-CE1 3.31Å; M2151-F2179 VanDerWaalsContact O-CZ 3.26Å; M2151-F2179 WeakPolarHBondContact O-CZ 3.38Å; A2154-F2179 HydrophobicContact CB-CE2 3.86Å; A2154-F2179 HydrophobicContact CB-CZ 3.76Å; A2155-F2179 HydrophobicContact CB-CD1 4.01Å; A2155-F2179 HydrophobicContact CB-CD2 3.96Å; A2155-F2179 HydrophobicContact CB-CE1 4.18Å; A2155-F2179 HydrophobicContact CB-CE2 4.14Å; A2155-F2179 HydrophobicContact CB-CG 3.91Å; A2155-F2179 HydrophobicContact CB-CZ 4.26Å; T2161-F2179 HydrophobicContact CG2-CE2 4Å; T2175-F2179 HydrophobicContact CG2-CD2 3.62Å; T2175-F2179 HydrophobicContact CG2-CE2 3.87Å; T2175-F2179 WeakPolarHBondContact O-CD2 3.31Å; T2175-F2179 PolarHBondContact O-N 3.13Å; F2179-V2191 HydrophobicContact CD1-CG1 4.03Å; F2179-V2191 HydrophobicContact CD1-CG2 4.48Å |
| 2180 | T | 77.1 | Confident | 82.6 | Confident | 17 Ų | 17 | 25 Ų | 25 | 10% | 0.104 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.8 | -62.5 | -142.4 | 63.5 | 0 | 0 | 0 | 0 | 110.4 | A1479 E1481 A2176 K2177 I2178 | A1479-T2180 PolarHBondContact O-OG1 3.24Å; E1481-T2180 HydrophobicContact CB-CG2 3.46Å; E1481-T2180 VanDerWaalsContact CB-CG2 3.46Å; E1481-T2180 HydrophobicContact CG-CG2 4.04Å; E1481-T2180 VanDerWaalsContact OE1-C 3.22Å; E1481-T2180 WeakPolarHBondContact OE1-CA 3.29Å; E1481-T2180 WeakPolarHBondContact OE1-CB 3.12Å; E1481-T2180 VanDerWaalsContact OE1-O 3.11Å; A2176-T2180 VanDerWaalsContact C-CG2 3.49Å; A2176-T2180 WeakPolarHBondContact O-CB 3.21Å; A2176-T2180 WeakPolarHBondContact O-CG2 3.4Å; A2176-T2180 PolarHBondContact O-OG1 3.12Å; K2177-T2180 WeakPolarHBondContact CA-OG1 3.49Å; K2177-T2180 PolarHBondContact O-OG1 3.17Å; I2178-T2180 PolarHBondContact O-N 3.25Å |
| 2181 | R | 77.7 | Confident | 81.9 | Confident | 67 Ų | 67 | 26.7 Ų | 26.7 | 25% | 0.253 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -140.3 | 73.4 | 161.6 | -121.8 | 175.8 | 149.2 | -131.3 | 24.7 | 106.1 | A1476 I1477 R1478 K2177 | A1476-R2181 WeakPolarHBondContact O-CD 3.42Å; A1476-R2181 PolarHBondContact O-NE 3.2Å; A1476-R2181 PolarHBondContact O-NH2 3.03Å; A1476-R2181 VanDerWaalsContact O-NH2 3.16Å; I1477-R2181 WeakPolarHBondContact O-CD 3.47Å; R1478-R2181 HydrophobicContact CB-CB 3.78Å; R1478-R2181 HydrophobicContact CB-CG 4.39Å; R1478-R2181 WeakPolarHBondContact CD-O 3.35Å; R1478-R2181 HydrophobicContact CG-CB 3.68Å; R1478-R2181 HydrophobicContact CG-CG 3.86Å; R1478-R2181 VanDerWaalsContact NE-CB 3.3Å; R1478-R2181 PolarHBondContact NE-O 2.96Å; K2177-R2181 CarbonylContact O-C 3.6Å; K2177-R2181 VanDerWaalsContact O-C 3.26Å; K2177-R2181 PolarHBondContact O-N 3.29Å |
| 2182 | P | 80.3 | Confident | 80.7 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.019 | 14% | 0.143 | C | C | . | . | trans | -63.1 | 139.4 | 173.5 | 24.9 | -30.9 | 0 | 0 | 0 | 109.8 | R1478 E2171 I2178 I2184 T2187 E2188 | R1478-P2182 PolarHBondContact NE-O 2.91Å; R1478-P2182 PolarHBondContact NH1-O 2.9Å; R1478-P2182 VanDerWaalsContact NH1-O 3.16Å; R1478-P2182 PolarHBondContact NH2-O 3.34Å; E2171-P2182 WeakPolarHBondContact OE2-CB 3.38Å; I2178-P2182 WeakPolarHBondContact O-CB 3.17Å; I2178-P2182 VanDerWaalsContact O-CD 3.29Å; I2178-P2182 WeakPolarHBondContact O-CD 3.38Å; I2178-P2182 VanDerWaalsContact O-CG 3.29Å; I2178-P2182 WeakPolarHBondContact O-CG 3.18Å; P2182-I2184 PolarHBondContact O-N 3.2Å; P2182-I2184 VanDerWaalsContact O-N 3.12Å; P2182-T2187 HydrophobicContact CB-CG2 3.47Å; P2182-T2187 VanDerWaalsContact CB-CG2 3.47Å; P2182-T2187 HydrophobicContact CG-CG2 4.02Å; P2182-E2188 HydrophobicContact CG-CB 3.99Å; P2182-E2188 HydrophobicContact CG-CG 4.39Å | ||
| 2183 | K | 81.5 | Confident | 79 | Confident | 81 Ų | 81 | 32.4 Ų | 32.4 | 35% | 0.352 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -68.9 | -18.8 | -168.3 | -63.1 | 176.3 | -143.5 | 157.4 | 0 | 112.6 | N1940 E2171 D2173 | N1940-K2183 HydrophobicContact CB-CB 4.25Å; N1940-K2183 HydrophobicContact CB-CD 4.2Å; N1940-K2183 VanDerWaalsContact CG-NZ 3.3Å; N1940-K2183 WeakPolarHBondContact ND2-CD 3.4Å; N1940-K2183 VanDerWaalsContact ND2-CE 3.26Å; N1940-K2183 WeakPolarHBondContact ND2-CE 3.46Å; N1940-K2183 PolarHBondContact ND2-NZ 2.93Å; N1940-K2183 PolarHBondContact OD1-NZ 3.21Å; E2171-K2183 WeakPolarHBondContact OE1-CB 3.22Å; E2171-K2183 PolarHBondContact OE1-N 3.06Å; E2171-K2183 PolarHBondContact OE2-N 3.23Å; D2173-K2183 VanDerWaalsContact OD2-CE 3.32Å; D2173-K2183 WeakPolarHBondContact OD2-CE 3.46Å; D2173-K2183 IonicContact OD2-NZ 3.86Å; D2173-K2183 PolarHBondContact OD2-NZ 3.12Å |
| 2184 | I | 81.9 | Confident | 76.8 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -110.5 | 127.2 | -167 | -50.2 | -42.2 | 0 | 0 | 0 | 110.9 | E1938 R1939 N1940 I2170 E2171 P2182 A2186 T2187 E2188 | E1938-I2184 HydrophobicContact CB-CB 4.16Å; E1938-I2184 HydrophobicContact CB-CD1 3.76Å; E1938-I2184 HydrophobicContact CB-CG1 4.34Å; E1938-I2184 HydrophobicContact CB-CG2 3.59Å; E1938-I2184 HydrophobicContact CG-CD1 3.78Å; R1939-I2184 VanDerWaalsContact N-CD1 3.35Å; N1940-I2184 HydrophobicContact CB-CD1 3.98Å; N1940-I2184 HydrophobicContact CB-CG1 4.42Å; I2170-I2184 HydrophobicContact CG2-CB 4.26Å; I2170-I2184 HydrophobicContact CG2-CG1 4.18Å; I2170-I2184 HydrophobicContact CG2-CG2 3.69Å; E2171-I2184 HydrophobicContact CB-CG1 4.48Å; E2171-I2184 HydrophobicContact CG-CG1 4.32Å; P2182-I2184 PolarHBondContact O-N 3.2Å; P2182-I2184 VanDerWaalsContact O-N 3.12Å; I2184-A2186 VanDerWaalsContact C-N 3.25Å; I2184-A2186 HydrophobicContact CG2-CB 4.13Å; I2184-A2186 PolarHBondContact O-N 3.13Å; I2184-T2187 WeakPolarHBondContact CB-OG1 3.41Å; I2184-T2187 WeakPolarHBondContact O-CA 3.18Å; I2184-T2187 WeakPolarHBondContact O-CB 3.36Å; I2184-T2187 PolarHBondContact O-N 3.36Å; I2184-E2188 PolarHBondContact O-N 3.44Å |
| 2185 | Q | 72.3 | Confident | 74.7 | Confident | 64 Ų | 64 | 36 Ų | 36 | 30% | 0.299 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56.7 | -36.3 | -179.9 | -176 | 72.4 | 54 | 0 | 0 | 112.8 | W1936 T2187 E2188 D2189 | W1936-Q2185 CarbonylContact O-C 3.37Å; W1936-Q2185 WeakPolarHBondContact O-CB 3.4Å; W1936-Q2185 WeakPolarHBondContact O-CG 3.33Å; Q2185-T2187 VanDerWaalsContact C-N 3.32Å; Q2185-T2187 PolarHBondContact O-N 2.64Å; Q2185-E2188 WeakPolarHBondContact O-CB 3.38Å; Q2185-E2188 PolarHBondContact O-N 2.68Å; Q2185-E2188 VanDerWaalsContact O-N 3.09Å; Q2185-D2189 PolarHBondContact NE2-OD1 2.97Å; Q2185-D2189 PolarHBondContact O-N 2.88Å |
| 2186 | A | 74.9 | Confident | 72.1 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.9 | -34 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W1936 E1937 I2184 Y2190 F2195 | W1936-A2186 WeakPolarHBondContact O-CA 3.39Å; W1936-A2186 PolarHBondContact O-N 3.21Å; E1937-A2186 HydrophobicContact CB-CB 3.73Å; E1937-A2186 HydrophobicContact CG-CB 3.97Å; I2184-A2186 VanDerWaalsContact C-N 3.25Å; I2184-A2186 HydrophobicContact CG2-CB 4.13Å; I2184-A2186 PolarHBondContact O-N 3.13Å; A2186-Y2190 WeakPolarHBondContact O-CB 3.41Å; A2186-Y2190 PolarHBondContact O-N 3.22Å; A2186-Y2190 VanDerWaalsContact O-N 3.14Å; A2186-F2195 HydrophobicContact CB-CE2 4.13Å; A2186-F2195 WeakPolarHBondContact O-CD2 3.5Å; A2186-F2195 WeakPolarHBondContact O-CE2 3.49Å |
| 2187 | T | 80.9 | Confident | 71.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 170.8 | -47.8 | 0 | 0 | 0 | 0 | 110 | F2163 E2171 I2178 P2182 I2184 Q2185 Y2190 V2191 | F2163-T2187 HydrophobicContact CB-CG2 4.35Å; F2163-T2187 HydrophobicContact CD1-CG2 3.92Å; F2163-T2187 VanDerWaalsContact CD1-OG1 3.24Å; F2163-T2187 WeakPolarHBondContact CD1-OG1 3.21Å; F2163-T2187 HydrophobicContact CE1-CG2 4.49Å; F2163-T2187 HydrophobicContact CG-CG2 4.22Å; E2171-T2187 WeakPolarHBondContact OE2-CB 3.41Å; E2171-T2187 PolarHBondContact OE2-OG1 2.73Å; I2178-T2187 HydrophobicContact CG2-CG2 4.19Å; P2182-T2187 HydrophobicContact CB-CG2 3.47Å; P2182-T2187 VanDerWaalsContact CB-CG2 3.47Å; P2182-T2187 HydrophobicContact CG-CG2 4.02Å; I2184-T2187 WeakPolarHBondContact CB-OG1 3.41Å; I2184-T2187 WeakPolarHBondContact O-CA 3.18Å; I2184-T2187 WeakPolarHBondContact O-CB 3.36Å; I2184-T2187 PolarHBondContact O-N 3.36Å; Q2185-T2187 VanDerWaalsContact C-N 3.32Å; Q2185-T2187 PolarHBondContact O-N 2.64Å; T2187-Y2190 PolarHBondContact O-N 2.75Å; T2187-V2191 HydrophobicContact CG2-CG2 4.08Å; T2187-V2191 WeakPolarHBondContact O-CB 3.42Å; T2187-V2191 WeakPolarHBondContact O-CG2 3.14Å; T2187-V2191 PolarHBondContact O-N 2.86Å |
| 2188 | E | 76.9 | Confident | 70.9 | Confident | 71 Ų | 71 | 41.4 Ų | 41.4 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | -179.7 | -163.8 | 170.4 | 138.2 | 0 | 0 | 112.6 | R1478 P2182 I2184 Q2185 Y2190 V2191 S2192 | R1478-E2188 IonicContact CZ-OE2 4Å; R1478-E2188 IonicContact NH2-OE2 3.11Å; R1478-E2188 PolarHBondContact NH2-OE2 2.88Å; P2182-E2188 HydrophobicContact CG-CB 3.99Å; P2182-E2188 HydrophobicContact CG-CG 4.39Å; I2184-E2188 PolarHBondContact O-N 3.44Å; Q2185-E2188 WeakPolarHBondContact O-CB 3.38Å; Q2185-E2188 PolarHBondContact O-N 2.68Å; Q2185-E2188 VanDerWaalsContact O-N 3.09Å; E2188-Y2190 VanDerWaalsContact C-N 3.33Å; E2188-Y2190 PolarHBondContact O-N 2.81Å; E2188-V2191 PolarHBondContact O-N 3.07Å; E2188-S2192 WeakPolarHBondContact O-CB 3.29Å; E2188-S2192 PolarHBondContact O-N 2.99Å; E2188-S2192 PolarHBondContact O-OG 3.18Å |
| 2189 | D | 69.3 | Low | 70.1 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 175 | -69.3 | -14.9 | 0 | 0 | 0 | 110.8 | Y1934 Q2185 S2192 G2193 H2194 F2195 | Y1934-D2189 WeakPolarHBondContact CE1-OD1 3.45Å; Q2185-D2189 PolarHBondContact NE2-OD1 2.97Å; Q2185-D2189 PolarHBondContact O-N 2.88Å; D2189-S2192 PolarHBondContact O-OG 3.49Å; D2189-G2193 CarbonylContact O-C 3.42Å; D2189-G2193 PolarHBondContact O-N 3.02Å; D2189-H2194 PolarHBondContact O-N 3.36Å; D2189-F2195 HydrophobicContact CB-CB 4.17Å; D2189-F2195 HydrophobicContact CB-CD2 4.07Å; D2189-F2195 PolarHBondContact O-N 3.47Å; D2189-F2195 VanDerWaalsContact O-N 3.08Å |
| 2190 | Y | 75.5 | Confident | 69.4 | Low | 39 Ų | 39 | 44.5 Ų | 44.5 | 15% | 0.153 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 177.6 | -175.2 | -98.5 | 0 | 0 | 0 | 112.3 | G1982 P1983 M2151 F2163 A2186 T2187 E2188 F2195 | G1982-Y2190 WeakPolarHBondContact CA-OH 3.37Å; G1982-Y2190 PolarHBondContact O-OH 3.21Å; P1983-Y2190 HydrophobicContact CG-CD2 4.24Å; P1983-Y2190 HydrophobicContact CG-CE2 3.75Å; M2151-Y2190 HydrophobicContact CE-CD1 3.65Å; M2151-Y2190 HydrophobicContact CE-CE1 3.65Å; M2151-Y2190 HydrophobicContact CG-CE1 4.41Å; M2151-Y2190 HydrophobicContact SD-CD1 3.77Å; M2151-Y2190 HydrophobicContact SD-CE1 3.41Å; M2151-Y2190 WeakPolarHBondContact SD-CE1 3.38Å; F2163-Y2190 AromaticContact CD2-CD1 3.91Å; F2163-Y2190 HydrophobicContact CD2-CD1 3.91Å; F2163-Y2190 HydrophobicContact CD2-CE1 4.17Å; F2163-Y2190 AromaticContact CE2-CD1 3.35Å; F2163-Y2190 HydrophobicContact CE2-CD1 3.35Å; F2163-Y2190 HydrophobicContact CE2-CD2 4.07Å; F2163-Y2190 AromaticContact CE2-CE1 3.77Å; F2163-Y2190 HydrophobicContact CE2-CE1 3.77Å; F2163-Y2190 HydrophobicContact CE2-CE2 4.41Å; F2163-Y2190 AromaticContact CE2-CG 3.55Å; F2163-Y2190 HydrophobicContact CE2-CG 3.55Å; F2163-Y2190 HydrophobicContact CZ-CD1 4.06Å; F2163-Y2190 HydrophobicContact CZ-CD2 4.36Å; F2163-Y2190 AromaticContact CZ-CG 3.84Å; F2163-Y2190 HydrophobicContact CZ-CG 3.84Å; A2186-Y2190 WeakPolarHBondContact O-CB 3.41Å; A2186-Y2190 PolarHBondContact O-N 3.22Å; A2186-Y2190 VanDerWaalsContact O-N 3.14Å; T2187-Y2190 PolarHBondContact O-N 2.75Å; E2188-Y2190 VanDerWaalsContact C-N 3.33Å; E2188-Y2190 PolarHBondContact O-N 2.81Å; Y2190-F2195 HydrophobicContact CD2-CD2 4.4Å; Y2190-F2195 HydrophobicContact CD2-CG 4.34Å |
| 2191 | V | 72.3 | Confident | 68.9 | Low | 36 Ų | 36 | 46.3 Ų | 46.3 | 22% | 0.218 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 176.9 | 170 | 0 | 0 | 0 | 0 | 111.7 | M2151 F2179 T2187 E2188 | M2151-V2191 HydrophobicContact CE-CB 4.08Å; M2151-V2191 HydrophobicContact CE-CG2 3.56Å; F2179-V2191 HydrophobicContact CD1-CG1 4.03Å; F2179-V2191 HydrophobicContact CD1-CG2 4.48Å; T2187-V2191 HydrophobicContact CG2-CG2 4.08Å; T2187-V2191 WeakPolarHBondContact O-CB 3.42Å; T2187-V2191 WeakPolarHBondContact O-CG2 3.14Å; T2187-V2191 PolarHBondContact O-N 2.86Å; E2188-V2191 PolarHBondContact O-N 3.07Å |
| 2192 | S | 67.1 | Low | 68.3 | Low | 57 Ų | 57 | 44.9 Ų | 44.9 | 40% | 0.399 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -82.9 | -8.9 | -179.1 | 67 | 0 | 0 | 0 | 0 | 114.3 | E2188 D2189 H2194 | E2188-S2192 WeakPolarHBondContact O-CB 3.29Å; E2188-S2192 PolarHBondContact O-N 2.99Å; E2188-S2192 PolarHBondContact O-OG 3.18Å; D2189-S2192 PolarHBondContact O-OG 3.49Å; S2192-H2194 WeakPolarHBondContact CB-ND1 3.42Å; S2192-H2194 PolarHBondContact O-ND1 3.41Å; S2192-H2194 PolarHBondContact OG-ND1 3.02Å |
| 2193 | G | 60.1 | Low | 67.5 | Low | 65 Ų | 65 | 47.9 Ų | 47.9 | 67% | 0.67 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 12.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D2189 | D2189-G2193 CarbonylContact O-C 3.42Å; D2189-G2193 PolarHBondContact O-N 3.02Å |
| 2194 | H | 48 | Very low | 66.4 | Low | 80 Ų | 80 | 45.3 Ų | 45.3 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | trans | -90.9 | 0.2 | 177.2 | -60.5 | 94.2 | 0 | 0 | 0 | 114 | Y1934 D2189 S2192 G2196 | Y1934-H2194 HydrophobicContact CD1-CB 3.54Å; Y1934-H2194 HydrophobicContact CD2-CB 4.37Å; Y1934-H2194 HydrophobicContact CE1-CB 3.42Å; Y1934-H2194 VanDerWaalsContact CE1-CB 3.42Å; Y1934-H2194 AromaticContact CE1-CG 3.92Å; Y1934-H2194 HydrophobicContact CE2-CB 4.26Å; Y1934-H2194 AromaticContact CE2-CD2 3.82Å; Y1934-H2194 HydrophobicContact CG-CB 4.03Å; Y1934-H2194 AromaticContact CZ-CD2 3.9Å; Y1934-H2194 AromaticContact CZ-CG 3.76Å; D2189-H2194 PolarHBondContact O-N 3.36Å; S2192-H2194 WeakPolarHBondContact CB-ND1 3.42Å; S2192-H2194 PolarHBondContact O-ND1 3.41Å; S2192-H2194 PolarHBondContact OG-ND1 3.02Å; H2194-G2196 PolarHBondContact O-N 3.03Å | ||
| 2195 | F | 47.6 | Very low | 65.1 | Low | 58 Ų | 58 | 49 Ų | 49 | 25% | 0.254 | 33% | 0.325 | S | S | . | . | trans | -66.4 | 89.4 | 177.5 | -159.2 | -85.1 | 0 | 0 | 0 | 111.9 | W1936 Y2165 A2186 D2189 Y2190 | W1936-F2195 HydrophobicContact CH2-CE1 4.05Å; W1936-F2195 HydrophobicContact CH2-CZ 4.02Å; W1936-F2195 HydrophobicContact CZ3-CE1 4.3Å; W1936-F2195 HydrophobicContact CZ3-CE2 4.2Å; W1936-F2195 AromaticContact CZ3-CZ 3.79Å; W1936-F2195 HydrophobicContact CZ3-CZ 3.79Å; Y2165-F2195 HydrophobicContact CE2-CZ 4.14Å; A2186-F2195 HydrophobicContact CB-CE2 4.13Å; A2186-F2195 WeakPolarHBondContact O-CD2 3.5Å; A2186-F2195 WeakPolarHBondContact O-CE2 3.49Å; D2189-F2195 HydrophobicContact CB-CB 4.17Å; D2189-F2195 HydrophobicContact CB-CD2 4.07Å; D2189-F2195 PolarHBondContact O-N 3.47Å; D2189-F2195 VanDerWaalsContact O-N 3.08Å; Y2190-F2195 HydrophobicContact CD2-CD2 4.4Å; Y2190-F2195 HydrophobicContact CD2-CG 4.34Å | ||
| 2196 | G | 36.7 | Very low | 64.5 | Low | 116 Ų | 116 | 47.6 Ų | 47.6 | 100% | 1.196 | 33% | 0.328 | S | S | * | . | trans | -171.4 | 0 | -179 | 0 | 0 | 0 | 0 | 0 | 116.5 | H2194 | H2194-G2196 PolarHBondContact O-N 3.03Š|
Retrieved 2,196 of 2,196 residues in 3389.7 ms
(Link to these results)