| 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 | 26.7 | Very low | 37.6 | Very low | 193 Ų | 193 | 100.2 Ų | 100.2 | 95% | 0.951 | 51% | 0.506 | S | S | * | . | 0 | -33.1 | 0 | -87.2 | -176.2 | 177 | 0 | 0 | 112.1 | |||||
| 2 | T | 27.4 | Very low | 38.1 | Very low | 112 Ų | 112 | 100.3 Ų | 100.3 | 69% | 0.687 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.6 | -39.5 | 176.6 | 26.2 | 0 | 0 | 0 | 0 | 114 | R5 | T2-R5 WeakPolarHBondContact O-CB 3.19Å; T2-R5 PolarHBondContact O-N 3.13Å |
| 3 | D | 36.2 | Very low | 38.9 | Very low | 95 Ų | 95 | 96.4 Ų | 96.4 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -79.8 | -28.7 | -177.6 | -61.4 | -54.2 | 0 | 0 | 0 | 114.4 | R5 I6 F7 | D3-R5 PolarHBondContact O-N 2.82Å; D3-I6 PolarHBondContact O-N 3.05Å; D3-F7 PolarHBondContact O-N 3.5Å |
| 4 | I | 35 | Very low | 39.2 | Very low | 105 Ų | 105 | 97.1 Ų | 97.1 | 54% | 0.538 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.4 | -26.9 | 170.4 | -62.8 | 172.1 | 0 | 0 | 0 | 110.7 | F7 L8 | I4-F7 WeakPolarHBondContact O-CB 3.36Å; I4-F7 PolarHBondContact O-N 3.31Å; I4-L8 HydrophobicContact CG2-CD1 3.9Å; I4-L8 HydrophobicContact CG2-CG 4.29Å; I4-L8 WeakPolarHBondContact O-CB 3.36Å; I4-L8 PolarHBondContact O-N 3.04Å |
| 5 | R | 33.5 | Very low | 39.8 | Very low | 191 Ų | 191 | 94.4 Ų | 94.4 | 72% | 0.721 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.7 | -41.1 | 173.2 | -73 | -173.5 | 177.1 | -173.1 | -1.2 | 111.8 | T2 D3 F7 V9 | T2-R5 WeakPolarHBondContact O-CB 3.19Å; T2-R5 PolarHBondContact O-N 3.13Å; D3-R5 PolarHBondContact O-N 2.82Å; R5-F7 VanDerWaalsContact C-N 3.29Å; R5-F7 PolarHBondContact O-N 2.99Å; R5-V9 WeakPolarHBondContact O-CB 3.48Å; R5-V9 WeakPolarHBondContact O-CG2 3.32Å; R5-V9 PolarHBondContact O-N 3.02Å |
| 6 | I | 37.1 | Very low | 40 | Very low | 108 Ų | 108 | 97 Ų | 97 | 55% | 0.554 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.6 | -38.7 | 174.4 | -60.7 | 173.2 | 0 | 0 | 0 | 109.9 | D3 V9 A10 | D3-I6 PolarHBondContact O-N 3.05Å; I6-V9 PolarHBondContact O-N 2.95Å; I6-A10 WeakPolarHBondContact O-CB 3.2Å; I6-A10 PolarHBondContact O-N 2.73Å |
| 7 | F | 44.9 | Very low | 40 | Very low | 72 Ų | 72 | 98.2 Ų | 98.2 | 32% | 0.316 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.7 | -54.3 | 174.8 | 178.2 | -94.4 | 0 | 0 | 0 | 113.3 | D3 I4 R5 V9 A10 L11 I244 | D3-F7 PolarHBondContact O-N 3.5Å; I4-F7 WeakPolarHBondContact O-CB 3.36Å; I4-F7 PolarHBondContact O-N 3.31Å; R5-F7 VanDerWaalsContact C-N 3.29Å; R5-F7 PolarHBondContact O-N 2.99Å; F7-V9 VanDerWaalsContact C-N 3.26Å; F7-V9 PolarHBondContact O-N 3.25Å; F7-A10 PolarHBondContact O-N 3.37Å; F7-L11 HydrophobicContact CD1-CD1 4.12Å; F7-L11 HydrophobicContact CD2-CD1 4.42Å; F7-L11 HydrophobicContact CE1-CD1 3.53Å; F7-L11 HydrophobicContact CE2-CD1 3.86Å; F7-L11 HydrophobicContact CZ-CD1 3.38Å; F7-L11 PolarHBondContact O-N 3.17Å; F7-L11 VanDerWaalsContact O-N 3.08Å; F7-I244 HydrophobicContact CD2-CD1 3.6Å; F7-I244 HydrophobicContact CE2-CD1 3.95Å; F7-I244 HydrophobicContact CE2-CG2 4.11Å |
| 8 | L | 42.7 | Very low | 40.1 | Very low | 92 Ų | 92 | 97.2 Ų | 97.2 | 48% | 0.482 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 176.1 | -82.9 | 163.4 | 0 | 0 | 0 | 110 | I4 A10 L11 L12 | I4-L8 HydrophobicContact CG2-CD1 3.9Å; I4-L8 HydrophobicContact CG2-CG 4.29Å; I4-L8 WeakPolarHBondContact O-CB 3.36Å; I4-L8 PolarHBondContact O-N 3.04Å; L8-A10 PolarHBondContact O-N 3.48Å; L8-L11 PolarHBondContact O-N 3.41Å; L8-L12 HydrophobicContact CB-CD1 4.38Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 VanDerWaalsContact O-CD1 3.28Å; L8-L12 WeakPolarHBondContact O-CD1 3.44Å; L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 3.19Å |
| 9 | V | 42.2 | Very low | 40 | Very low | 74 Ų | 74 | 102.7 Ų | 102.7 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65 | -36 | 177.9 | 165.4 | 0 | 0 | 0 | 0 | 112.6 | R5 I6 F7 F14 | R5-V9 WeakPolarHBondContact O-CB 3.48Å; R5-V9 WeakPolarHBondContact O-CG2 3.32Å; R5-V9 PolarHBondContact O-N 3.02Å; I6-V9 PolarHBondContact O-N 2.95Å; F7-V9 VanDerWaalsContact C-N 3.26Å; F7-V9 PolarHBondContact O-N 3.25Å; V9-F14 HydrophobicContact CG1-CD2 4.46Å; V9-F14 HydrophobicContact CG1-CE2 3.88Å |
| 10 | A | 45.1 | Very low | 40.2 | Very low | 16 Ų | 16 | 99.5 Ų | 99.5 | 13% | 0.132 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -75.6 | -32.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I6 F7 L8 W219 | I6-A10 WeakPolarHBondContact O-CB 3.2Å; I6-A10 PolarHBondContact O-N 2.73Å; F7-A10 PolarHBondContact O-N 3.37Å; L8-A10 PolarHBondContact O-N 3.48Å; A10-W219 HydrophobicContact CB-CH2 4.18Å; A10-W219 HydrophobicContact CB-CZ2 4.2Å |
| 11 | L | 42.7 | Very low | 40.6 | Very low | 44 Ų | 44 | 101.4 Ų | 101.4 | 23% | 0.23 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -84.7 | -25.2 | 175.6 | -74.1 | 169.7 | 0 | 0 | 0 | 112.9 | F7 L8 P13 T200 | F7-L11 HydrophobicContact CD1-CD1 4.12Å; F7-L11 HydrophobicContact CD2-CD1 4.42Å; F7-L11 HydrophobicContact CE1-CD1 3.53Å; F7-L11 HydrophobicContact CE2-CD1 3.86Å; F7-L11 HydrophobicContact CZ-CD1 3.38Å; F7-L11 PolarHBondContact O-N 3.17Å; F7-L11 VanDerWaalsContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 3.41Å; L11-P13 VanDerWaalsContact O-CD 3.29Å; L11-P13 WeakPolarHBondContact O-CD 3.42Å; L11-T200 HydrophobicContact CD2-CG2 4.1Å |
| 12 | L | 44.2 | Very low | 41.8 | Very low | 101 Ų | 101 | 95.5 Ų | 95.5 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -70.7 | 115.6 | 172.8 | -76.3 | 166.2 | 0 | 0 | 0 | 108.4 | L8 F14 | L8-L12 HydrophobicContact CB-CD1 4.38Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 VanDerWaalsContact O-CD1 3.28Å; L8-L12 WeakPolarHBondContact O-CD1 3.44Å; L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 3.19Å; L12-F14 PolarHBondContact O-N 3.24Å |
| 13 | P | 47.5 | Very low | 43.6 | Very low | 50 Ų | 50 | 97.3 Ų | 97.3 | 33% | 0.325 | 48% | 0.482 | S | S | . | . | trans | -58.9 | 113.4 | 176.3 | 24 | -31.9 | 0 | 0 | 0 | 108.7 | L11 V15 | L11-P13 VanDerWaalsContact O-CD 3.29Å; L11-P13 WeakPolarHBondContact O-CD 3.42Å; P13-V15 PolarHBondContact O-N 3.47Å | ||
| 14 | F | 43.1 | Very low | 44.8 | Very low | 106 Ų | 106 | 97.7 Ų | 97.7 | 47% | 0.465 | 49% | 0.488 | S | S | . | . | trans | -72 | 98.9 | 172.8 | -114.9 | -95.2 | 0 | 0 | 0 | 108.2 | V9 L12 Q125 | V9-F14 HydrophobicContact CG1-CD2 4.46Å; V9-F14 HydrophobicContact CG1-CE2 3.88Å; L12-F14 PolarHBondContact O-N 3.24Å; F14-Q125 PolarHBondContact O-NE2 3.18Å | ||
| 15 | V | 49.3 | Very low | 46.4 | Very low | 57 Ų | 57 | 93 Ų | 93 | 35% | 0.345 | 46% | 0.464 | S | S | . | . | trans | -95 | 113.7 | 161.4 | -176.6 | 0 | 0 | 0 | 0 | 105.7 | P13 N17 | P13-V15 PolarHBondContact O-N 3.47Å; V15-N17 PolarHBondContact O-N 3.16Å | ||
| 16 | W | 43.1 | Very low | 47.9 | Very low | 136 Ų | 136 | 88.8 Ų | 88.8 | 52% | 0.515 | 46% | 0.457 | S | S | . | . | trans | -65.8 | 97.4 | 175.8 | -84.8 | 59.8 | 0 | 0 | 0 | 109.6 | F18 | W16-F18 AromaticContact CE3-CE1 3.96Å; W16-F18 HydrophobicContact CE3-CE1 3.96Å; W16-F18 AromaticContact CE3-CE2 3.57Å; W16-F18 HydrophobicContact CE3-CE2 3.57Å; W16-F18 AromaticContact CE3-CZ 3.25Å; W16-F18 HydrophobicContact CE3-CZ 3.25Å; W16-F18 AromaticContact CZ3-CE1 3.96Å; W16-F18 HydrophobicContact CZ3-CE1 3.96Å; W16-F18 HydrophobicContact CZ3-CE2 4.21Å; W16-F18 AromaticContact CZ3-CZ 3.43Å; W16-F18 HydrophobicContact CZ3-CZ 3.43Å; W16-F18 VanDerWaalsContact CZ3-CZ 3.43Å | ||
| 17 | N | 38.9 | Very low | 49.3 | Very low | 117 Ų | 117 | 84.4 Ų | 84.4 | 63% | 0.626 | 43% | 0.433 | S | S | * | . | trans | -92.4 | 102.9 | 165.6 | -77.8 | -32.8 | 0 | 0 | 0 | 108.2 | V15 K51 | V15-N17 PolarHBondContact O-N 3.16Å; N17-K51 PolarHBondContact OD1-NZ 2.98Å | ||
| 18 | F | 41.7 | Very low | 49.8 | Very low | 80 Ų | 80 | 84.9 Ų | 84.9 | 35% | 0.351 | 44% | 0.435 | S | S | . | . | trans | -70.7 | 144.4 | 158.8 | -67.6 | -82.1 | 0 | 0 | 0 | 108.5 | W16 E43 I45 | W16-F18 AromaticContact CE3-CE1 3.96Å; W16-F18 HydrophobicContact CE3-CE1 3.96Å; W16-F18 AromaticContact CE3-CE2 3.57Å; W16-F18 HydrophobicContact CE3-CE2 3.57Å; W16-F18 AromaticContact CE3-CZ 3.25Å; W16-F18 HydrophobicContact CE3-CZ 3.25Å; W16-F18 AromaticContact CZ3-CE1 3.96Å; W16-F18 HydrophobicContact CZ3-CE1 3.96Å; W16-F18 HydrophobicContact CZ3-CE2 4.21Å; W16-F18 AromaticContact CZ3-CZ 3.43Å; W16-F18 HydrophobicContact CZ3-CZ 3.43Å; W16-F18 VanDerWaalsContact CZ3-CZ 3.43Å; F18-E43 WeakPolarHBondContact CB-OE1 3.2Å; F18-I45 HydrophobicContact CB-CG1 4.3Å; F18-I45 HydrophobicContact CD1-CG2 3.8Å; F18-I45 HydrophobicContact CD2-CD1 3.7Å; F18-I45 HydrophobicContact CD2-CG1 3.88Å; F18-I45 HydrophobicContact CD2-CG2 4Å; F18-I45 HydrophobicContact CE1-CG2 3.64Å; F18-I45 HydrophobicContact CE2-CD1 3.88Å; F18-I45 HydrophobicContact CE2-CG1 4.34Å; F18-I45 HydrophobicContact CE2-CG2 3.84Å; F18-I45 HydrophobicContact CG-CD1 4.39Å; F18-I45 HydrophobicContact CG-CG1 4.05Å; F18-I45 HydrophobicContact CG-CG2 3.96Å; F18-I45 HydrophobicContact CZ-CG2 3.63Å | ||
| 19 | E | 38.5 | Very low | 50.1 | Low | 202 Ų | 202 | 87.7 Ų | 87.7 | 94% | 0.944 | 45% | 0.451 | S | S | * | . | trans | -112 | 108.3 | 169.2 | -76.1 | -172.8 | 168.9 | 0 | 0 | 108.6 | E43 | E19-E43 VanDerWaalsContact C-OE1 3.28Å; E19-E43 WeakPolarHBondContact CA-OE1 3.39Å; E19-E43 PolarHBondContact N-OE1 2.89Å | ||
| 20 | G | 45 | Very low | 50.4 | Low | 38 Ų | 38 | 86.5 Ų | 86.5 | 39% | 0.392 | 44% | 0.442 | S | S | . | . | trans | -135.2 | 169.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S22 E43 | G20-S22 PolarHBondContact O-N 3.21Å; G20-E43 WeakPolarHBondContact CA-OE1 3.25Å; G20-E43 PolarHBondContact N-OE1 3.18Å | ||
| 21 | E | 46.9 | Very low | 50.5 | Low | 140 Ų | 140 | 92.5 Ų | 92.5 | 65% | 0.654 | 47% | 0.472 | S | S | * | . | trans | -65.7 | 116 | 176.2 | -74.3 | -173.3 | 165.3 | 0 | 0 | 111 | R23 | E21-R23 IonicContact OE2-CZ 3.89Å; E21-R23 IonicContact OE2-NE 2.83Å; E21-R23 IonicContact OE2-NH2 2.7Å; E21-R23 PolarHBondContact OE2-NH2 3.35Å | ||
| 22 | S | 53.2 | Low | 50.7 | Low | 70 Ų | 70 | 95 Ų | 95 | 49% | 0.49 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 129.6 | 172.6 | 167.9 | 0 | 0 | 0 | 0 | 111.1 | G20 E41 | G20-S22 PolarHBondContact O-N 3.21Å; S22-E41 PolarHBondContact OG-OE2 2.83Å |
| 23 | R | 64.2 | Low | 50.8 | Low | 149 Ų | 149 | 95.3 Ų | 95.3 | 56% | 0.562 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.8 | 173.7 | -60.4 | -176.8 | -176.3 | -173.4 | 1.5 | 109.5 | E21 C25 C42 | E21-R23 IonicContact OE2-CZ 3.89Å; E21-R23 IonicContact OE2-NE 2.83Å; E21-R23 IonicContact OE2-NH2 2.7Å; E21-R23 PolarHBondContact OE2-NH2 3.35Å; R23-C25 PolarHBondContact O-N 3.08Å; R23-C42 PolarHBondContact N-O 3.07Å; R23-C42 WeakPolarHBondContact O-CA 3.5Å; R23-C42 PolarHBondContact O-N 3.16Å |
| 24 | T | 62.3 | Low | 51 | Low | 104 Ų | 104 | 103.5 Ų | 103.5 | 64% | 0.638 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 134.2 | 171.7 | 47.4 | 0 | 0 | 0 | 0 | 110.5 | N26 | T24-N26 PolarHBondContact O-N 3.47Å |
| 25 | C | 67.9 | Low | 51.9 | Low | 5 Ų | 5 | 99.5 Ų | 99.5 | 3% | 0.034 | 51% | 0.506 | C | S | . | . | trans | -66.5 | 127.7 | 178.1 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | R23 F27 E41 C42 | R23-C25 PolarHBondContact O-N 3.08Å; C25-F27 HydrophobicContact CB-CD2 3.82Å; C25-F27 HydrophobicContact CB-CE2 3.26Å; C25-F27 HydrophobicContact CB-CZ 3.72Å; C25-E41 VanDerWaalsContact SG-C 3.54Å; C25-C42 WeakPolarHBondContact CA-SG 3.17Å; C25-C42 HydrophobicContact CB-CB 4Å; C25-C42 WeakPolarHBondContact CB-SG 3.16Å; C25-C42 VanDerWaalsContact SG-CA 3.56Å; C25-C42 WeakPolarHBondContact SG-CB 3.33Å; C25-C42 PolarHBondContact SG-N 2.8Å; C25-C42 VanDerWaalsContact SG-N 3.37Å; C25-C42 CovalentContact SG-SG 2.03Å; C25-C42 PolarHBondContact SG-SG 3.1Å | ||
| 26 | N | 65.9 | Low | 53.1 | Low | 104 Ų | 104 | 101.8 Ų | 101.8 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | trans | -100.1 | 89.6 | 172.4 | -81.9 | -20.7 | 0 | 0 | 0 | 110 | T24 | T24-N26 PolarHBondContact O-N 3.47Š| ||
| 27 | F | 66.3 | Low | 54.8 | Low | 15 Ų | 15 | 95.8 Ų | 95.8 | 7% | 0.066 | 49% | 0.492 | C | S | . | . | trans | -84.8 | 157.5 | 171.1 | -60.6 | -68 | 0 | 0 | 0 | 111.2 | C25 W37 V52 P66 F68 M75 | C25-F27 HydrophobicContact CB-CD2 3.82Å; C25-F27 HydrophobicContact CB-CE2 3.26Å; C25-F27 HydrophobicContact CB-CZ 3.72Å; F27-W37 HydrophobicContact CD2-CB 3.89Å; F27-W37 HydrophobicContact CE2-CB 3.67Å; F27-W37 HydrophobicContact CE2-CG 4.42Å; F27-V52 HydrophobicContact CZ-CG1 4.17Å; F27-V52 HydrophobicContact CZ-CG2 4.2Å; F27-P66 HydrophobicContact CB-CB 3.93Å; F27-P66 HydrophobicContact CB-CG 4.11Å; F27-P66 HydrophobicContact CD1-CB 3.72Å; F27-P66 HydrophobicContact CD1-CG 3.33Å; F27-P66 HydrophobicContact CD2-CG 3.94Å; F27-P66 HydrophobicContact CE1-CB 4.4Å; F27-P66 HydrophobicContact CE1-CG 3.58Å; F27-P66 HydrophobicContact CE2-CG 4.17Å; F27-P66 HydrophobicContact CG-CB 3.87Å; F27-P66 HydrophobicContact CG-CG 3.51Å; F27-P66 HydrophobicContact CZ-CG 4Å; F27-F68 HydrophobicContact CD1-CE1 4.05Å; F27-F68 HydrophobicContact CD1-CE2 4.27Å; F27-F68 AromaticContact CD1-CZ 3.94Å; F27-F68 HydrophobicContact CD1-CZ 3.94Å; F27-F68 HydrophobicContact CE1-CD2 4.35Å; F27-F68 AromaticContact CE1-CE1 3.92Å; F27-F68 HydrophobicContact CE1-CE1 3.92Å; F27-F68 AromaticContact CE1-CE2 3.59Å; F27-F68 HydrophobicContact CE1-CE2 3.59Å; F27-F68 AromaticContact CE1-CZ 3.33Å; F27-F68 HydrophobicContact CE1-CZ 3.33Å; F27-F68 HydrophobicContact CZ-CZ 4.06Å; F27-M75 HydrophobicContact CE1-CE 4Å; F27-M75 HydrophobicContact CZ-CE 4.42Å | ||
| 28 | K | 54.2 | Low | 56.4 | Low | 82 Ų | 82 | 91.8 Ų | 91.8 | 36% | 0.357 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 144.5 | 178.2 | -162.5 | -175.9 | 179.8 | -168.8 | 0 | 110.1 | K70 | K28-K70 HydrophobicContact CD-CD 4.39Å; K28-K70 HydrophobicContact CD-CG 4.07Å; K28-K70 HydrophobicContact CG-CD 4.03Å; K28-K70 HydrophobicContact CG-CG 4.16Å |
| 29 | D | 50 | Low | 58 | Low | 152 Ų | 152 | 93.1 Ų | 93.1 | 81% | 0.813 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 11.6 | -178.9 | -60.5 | -26.9 | 0 | 0 | 0 | 117.3 | ||
| 30 | D | 48.3 | Very low | 60.3 | Low | 48 Ų | 48 | 83.6 Ų | 83.6 | 26% | 0.257 | 45% | 0.45 | S | S | . | . | trans | -100.5 | 103.4 | 175.4 | -88.6 | -52.7 | 0 | 0 | 0 | 113.1 | N32 S35 | D30-N32 PolarHBondContact O-N 3.48Å; D30-S35 VanDerWaalsContact CG-OG 3.32Å; D30-S35 WeakPolarHBondContact OD1-CA 3.45Å; D30-S35 WeakPolarHBondContact OD1-CB 3.43Å; D30-S35 PolarHBondContact OD1-N 2.92Å; D30-S35 VanDerWaalsContact OD1-N 3.07Å; D30-S35 WeakPolarHBondContact OD2-CB 3.38Å; D30-S35 PolarHBondContact OD2-OG 3.07Å | ||
| 31 | D | 46.5 | Very low | 62.2 | Low | 142 Ų | 142 | 87 Ų | 87 | 76% | 0.759 | 46% | 0.455 | S | S | * | . | trans | -54.5 | 99.6 | 136.4 | -83.1 | -31.5 | 0 | 0 | 0 | 105.6 | S33 R34 | D31-S33 PolarHBondContact O-N 3.18Å; D31-R34 PolarHBondContact O-N 3.02Å; D31-R34 VanDerWaalsContact O-N 3.12Å | ||
| 32 | N | 46.8 | Very low | 64 | Low | 96 Ų | 96 | 81 Ų | 81 | 51% | 0.513 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40 | -15.5 | -171.3 | -87.4 | -18.6 | 0 | 0 | 0 | 117 | D30 | D30-N32 PolarHBondContact O-N 3.48Š|
| 33 | S | 47.2 | Very low | 65.4 | Low | 108 Ų | 108 | 78.5 Ų | 78.5 | 76% | 0.755 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -14.2 | 176.9 | 69.6 | 0 | 0 | 0 | 0 | 116.5 | D31 | D31-S33 PolarHBondContact O-N 3.18Š|
| 34 | R | 51.4 | Low | 66.1 | Low | 222 Ų | 222 | 75 Ų | 75 | 84% | 0.838 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -125.4 | -4.2 | -174.3 | -72.4 | -174.2 | -179 | 175.4 | 1.3 | 116.7 | D31 I36 | D31-R34 PolarHBondContact O-N 3.02Å; D31-R34 VanDerWaalsContact O-N 3.12Å; R34-I36 PolarHBondContact O-N 3.35Å |
| 35 | S | 63.3 | Low | 66.7 | Low | 22 Ų | 22 | 72 Ų | 72 | 15% | 0.154 | 38% | 0.381 | C | S | . | . | trans | -61.8 | 129.8 | 175.8 | -159 | 0 | 0 | 0 | 0 | 111.5 | D30 W37 G38 | D30-S35 VanDerWaalsContact CG-OG 3.32Å; D30-S35 WeakPolarHBondContact OD1-CA 3.45Å; D30-S35 WeakPolarHBondContact OD1-CB 3.43Å; D30-S35 PolarHBondContact OD1-N 2.92Å; D30-S35 VanDerWaalsContact OD1-N 3.07Å; D30-S35 WeakPolarHBondContact OD2-CB 3.38Å; D30-S35 PolarHBondContact OD2-OG 3.07Å; S35-W37 PolarHBondContact O-N 2.73Å; S35-W37 PolarHBondContact OG-N 2.77Å; S35-G38 PolarHBondContact O-N 2.76Å; S35-G38 PolarHBondContact OG-N 3.18Å | ||
| 36 | I | 72.5 | Confident | 67.2 | Low | 105 Ų | 105 | 75.6 Ų | 75.6 | 54% | 0.538 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -63.4 | -29.2 | 167.7 | -27.6 | 177.9 | 0 | 0 | 0 | 110.2 | R34 W59 P63 | R34-I36 PolarHBondContact O-N 3.35Å; I36-W59 HydrophobicContact CG2-CZ2 4.48Å; I36-W59 VanDerWaalsContact CG2-NE1 3.34Å; I36-W59 VanDerWaalsContact O-CZ2 3.31Å; I36-W59 WeakPolarHBondContact O-CZ2 3.46Å; I36-P63 HydrophobicContact CD1-CB 4.45Å |
| 37 | W | 78.8 | Confident | 67.6 | Low | 10 Ų | 10 | 74.4 Ų | 74.4 | 4% | 0.038 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -86 | -4.5 | 179.4 | -67.9 | 86.9 | 0 | 0 | 0 | 113.9 | F27 S35 T39 C40 V52 W59 S64 V65 P66 L78 I80 | F27-W37 HydrophobicContact CD2-CB 3.89Å; F27-W37 HydrophobicContact CE2-CB 3.67Å; F27-W37 HydrophobicContact CE2-CG 4.42Å; S35-W37 PolarHBondContact O-N 2.73Å; S35-W37 PolarHBondContact OG-N 2.77Å; W37-T39 PolarHBondContact O-N 2.96Å; W37-T39 VanDerWaalsContact O-N 3.15Å; W37-C40 VanDerWaalsContact O-CB 3.31Å; W37-C40 WeakPolarHBondContact O-CB 3.39Å; W37-C40 PolarHBondContact O-N 3.5Å; W37-C40 PolarHBondContact O-SG 3.26Å; W37-V52 HydrophobicContact CE3-CG1 4.49Å; W37-V52 HydrophobicContact CZ3-CG1 4.47Å; W37-W59 AromaticContact CD2-CH2 3.81Å; W37-W59 HydrophobicContact CD2-CH2 3.81Å; W37-W59 HydrophobicContact CD2-CZ2 4.48Å; W37-W59 AromaticContact CE3-CH2 3.73Å; W37-W59 HydrophobicContact CE3-CH2 3.73Å; W37-W59 HydrophobicContact CE3-CZ3 4.33Å; W37-W59 HydrophobicContact CG-CH2 4.39Å; W37-W59 HydrophobicContact CH2-CH2 4.29Å; W37-W59 HydrophobicContact CH2-CZ3 4.11Å; W37-W59 HydrophobicContact CZ2-CH2 4.38Å; W37-W59 HydrophobicContact CZ2-CZ3 4.32Å; W37-W59 AromaticContact CZ3-CH2 3.98Å; W37-W59 HydrophobicContact CZ3-CH2 3.98Å; W37-W59 HydrophobicContact CZ3-CZ3 4.12Å; W37-S64 PolarHBondContact NE1-O 3.21Å; W37-V65 HydrophobicContact CH2-CG1 4.35Å; W37-V65 HydrophobicContact CH2-CG2 3.98Å; W37-V65 HydrophobicContact CZ2-CB 4.26Å; W37-V65 HydrophobicContact CZ2-CG1 4.45Å; W37-V65 HydrophobicContact CZ2-CG2 3.88Å; W37-P66 HydrophobicContact CD2-CG 4.19Å; W37-P66 VanDerWaalsContact CE2-CD 3.44Å; W37-P66 HydrophobicContact CG-CG 4.04Å; W37-L78 HydrophobicContact CH2-CD1 4.14Å; W37-L78 HydrophobicContact CH2-CD2 4.17Å; W37-L78 HydrophobicContact CZ3-CD1 3.7Å; W37-I80 HydrophobicContact CH2-CD1 4.12Å |
| 38 | G | 74.4 | Confident | 68.3 | Low | 34 Ų | 34 | 77.6 Ų | 77.6 | 35% | 0.351 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -66.1 | -17.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S35 C40 | S35-G38 PolarHBondContact O-N 2.76Å; S35-G38 PolarHBondContact OG-N 3.18Å; G38-C40 VanDerWaalsContact C-N 3.3Å |
| 39 | T | 75.3 | Confident | 69.7 | Low | 107 Ų | 107 | 74 Ų | 74 | 66% | 0.656 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -82.1 | -5.5 | 173.4 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | W37 | W37-T39 PolarHBondContact O-N 2.96Å; W37-T39 VanDerWaalsContact O-N 3.15Å |
| 40 | C | 85.5 | Confident | 71.4 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.02 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -87.1 | 148.7 | 178.7 | -54 | 0 | 0 | 0 | 0 | 111.5 | W37 G38 V52 N53 C54 | W37-C40 VanDerWaalsContact O-CB 3.31Å; W37-C40 WeakPolarHBondContact O-CB 3.39Å; W37-C40 PolarHBondContact O-N 3.5Å; W37-C40 PolarHBondContact O-SG 3.26Å; G38-C40 VanDerWaalsContact C-N 3.3Å; C40-V52 HydrophobicContact CB-CG1 4.03Å; C40-N53 WeakPolarHBondContact CA-O 3.41Å; C40-C54 HydrophobicContact CB-CB 4.07Å; C40-C54 WeakPolarHBondContact CB-SG 3.19Å; C40-C54 WeakPolarHBondContact SG-CB 3.37Å; C40-C54 CovalentContact SG-SG 2.03Å; C40-C54 PolarHBondContact SG-SG 3.2Å |
| 41 | E | 84.6 | Confident | 73.3 | Confident | 108 Ų | 108 | 65.1 Ų | 65.1 | 51% | 0.505 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 139.1 | 176.2 | -64.5 | -174.8 | -161.2 | 0 | 0 | 110.7 | S22 C25 N53 | S22-E41 PolarHBondContact OG-OE2 2.83Å; C25-E41 VanDerWaalsContact SG-C 3.54Å; E41-N53 PolarHBondContact N-O 3.12Å; E41-N53 PolarHBondContact O-N 3.06Å |
| 42 | C | 84.3 | Confident | 75.4 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 10% | 0.095 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 137.5 | 176.3 | -86.6 | 0 | 0 | 0 | 0 | 110.7 | R23 C25 V50 K51 | R23-C42 PolarHBondContact N-O 3.07Å; R23-C42 WeakPolarHBondContact O-CA 3.5Å; R23-C42 PolarHBondContact O-N 3.16Å; C25-C42 WeakPolarHBondContact CA-SG 3.17Å; C25-C42 HydrophobicContact CB-CB 4Å; C25-C42 WeakPolarHBondContact CB-SG 3.16Å; C25-C42 VanDerWaalsContact SG-CA 3.56Å; C25-C42 WeakPolarHBondContact SG-CB 3.33Å; C25-C42 PolarHBondContact SG-N 2.8Å; C25-C42 VanDerWaalsContact SG-N 3.37Å; C25-C42 CovalentContact SG-SG 2.03Å; C25-C42 PolarHBondContact SG-SG 3.1Å; C42-V50 HydrophobicContact CB-CG1 3.96Å; C42-K51 CarbonylContact C-O 3.27Å; C42-K51 WeakPolarHBondContact CA-O 3.5Å |
| 43 | E | 82.6 | Confident | 77.5 | Confident | 18 Ų | 18 | 55 Ų | 55 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 129 | 178.7 | -171.1 | -165.4 | 150.5 | 0 | 0 | 109.3 | F18 E19 G20 I45 V50 K51 | F18-E43 WeakPolarHBondContact CB-OE1 3.2Å; E19-E43 VanDerWaalsContact C-OE1 3.28Å; E19-E43 WeakPolarHBondContact CA-OE1 3.39Å; E19-E43 PolarHBondContact N-OE1 2.89Å; G20-E43 WeakPolarHBondContact CA-OE1 3.25Å; G20-E43 PolarHBondContact N-OE1 3.18Å; E43-I45 PolarHBondContact O-N 3.21Å; E43-V50 WeakPolarHBondContact O-CA 3.33Å; E43-K51 HydrophobicContact CB-CB 4.28Å; E43-K51 PolarHBondContact N-O 3.43Å; E43-K51 PolarHBondContact O-N 2.99Å |
| 44 | L | 80.9 | Confident | 79.6 | Confident | 75 Ų | 75 | 49.9 Ų | 49.9 | 39% | 0.393 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 114.5 | 179.1 | -88.2 | 152.5 | 0 | 0 | 0 | 110.3 | T46 V50 | L44-T46 VanDerWaalsContact CD2-O 3.24Å; L44-T46 WeakPolarHBondContact CD2-O 3.46Å; L44-V50 HydrophobicContact CD2-CG2 4.02Å |
| 45 | I | 74.2 | Confident | 81.2 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -82.9 | -47.9 | 174 | -58.1 | 172.4 | 0 | 0 | 0 | 109.7 | F18 E43 A49 K51 | F18-I45 HydrophobicContact CB-CG1 4.3Å; F18-I45 HydrophobicContact CD1-CG2 3.8Å; F18-I45 HydrophobicContact CD2-CD1 3.7Å; F18-I45 HydrophobicContact CD2-CG1 3.88Å; F18-I45 HydrophobicContact CD2-CG2 4Å; F18-I45 HydrophobicContact CE1-CG2 3.64Å; F18-I45 HydrophobicContact CE2-CD1 3.88Å; F18-I45 HydrophobicContact CE2-CG1 4.34Å; F18-I45 HydrophobicContact CE2-CG2 3.84Å; F18-I45 HydrophobicContact CG-CD1 4.39Å; F18-I45 HydrophobicContact CG-CG1 4.05Å; F18-I45 HydrophobicContact CG-CG2 3.96Å; F18-I45 HydrophobicContact CZ-CG2 3.63Å; E43-I45 PolarHBondContact O-N 3.21Å; I45-A49 HydrophobicContact CB-CB 4.23Å; I45-A49 PolarHBondContact N-O 3.15Å; I45-K51 HydrophobicContact CD1-CB 3.98Å; I45-K51 HydrophobicContact CG1-CB 4.17Å |
| 46 | T | 77.7 | Confident | 82.1 | Confident | 80 Ų | 80 | 50.9 Ų | 50.9 | 49% | 0.491 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -136.7 | 177.4 | 172.8 | 69.3 | 0 | 0 | 0 | 0 | 109.6 | L44 D48 A49 | L44-T46 VanDerWaalsContact CD2-O 3.24Å; L44-T46 WeakPolarHBondContact CD2-O 3.46Å; T46-D48 PolarHBondContact O-N 2.96Å; T46-D48 PolarHBondContact OG1-N 3.18Å; T46-A49 PolarHBondContact N-O 3.11Å; T46-A49 PolarHBondContact O-N 3.02Å; T46-A49 WeakPolarHBondContact OG1-CB 3.34Å; T46-A49 PolarHBondContact OG1-N 3.5Å |
| 47 | A | 75.6 | Confident | 82.4 | Confident | 79 Ų | 79 | 46.3 Ų | 46.3 | 65% | 0.653 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -52.9 | -30.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q73 | A47-Q73 WeakPolarHBondContact O-CG 3.44Š|
| 48 | D | 79.7 | Confident | 82.3 | Confident | 82 Ų | 82 | 48.2 Ų | 48.2 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -115.5 | -5.3 | -174.6 | -55.7 | -32.9 | 0 | 0 | 0 | 113.4 | T46 Q73 H74 | T46-D48 PolarHBondContact O-N 2.96Å; T46-D48 PolarHBondContact OG1-N 3.18Å; D48-Q73 CarbonylContact O-C 3.6Å; D48-Q73 WeakPolarHBondContact O-CA 3.36Å; D48-H74 PolarHBondContact O-CE1 3.07Å; D48-H74 VanDerWaalsContact O-CE1 3.26Å; D48-H74 PolarHBondContact O-N 3.21Å; D48-H74 PolarHBondContact O-ND1 2.75Å |
| 49 | A | 83.8 | Confident | 82.6 | Confident | 8 Ų | 8 | 47.9 Ų | 47.9 | 7% | 0.066 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I45 T46 T76 | I45-A49 HydrophobicContact CB-CB 4.23Å; I45-A49 PolarHBondContact N-O 3.15Å; T46-A49 PolarHBondContact N-O 3.11Å; T46-A49 PolarHBondContact O-N 3.02Å; T46-A49 WeakPolarHBondContact OG1-CB 3.34Å; T46-A49 PolarHBondContact OG1-N 3.5Å; A49-T76 VanDerWaalsContact CB-OG1 3.26Å; A49-T76 WeakPolarHBondContact CB-OG1 3.33Å |
| 50 | V | 86.9 | Confident | 82.5 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137 | -178 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | C42 E43 L44 V52 F68 Q73 H74 T76 S77 | C42-V50 HydrophobicContact CB-CG1 3.96Å; E43-V50 WeakPolarHBondContact O-CA 3.33Å; L44-V50 HydrophobicContact CD2-CG2 4.02Å; V50-V52 HydrophobicContact CG1-CG2 4.29Å; V50-F68 HydrophobicContact CB-CZ 4.35Å; V50-F68 HydrophobicContact CG1-CZ 4.02Å; V50-Q73 HydrophobicContact CG2-CB 3.89Å; V50-Q73 HydrophobicContact CG2-CG 4.12Å; V50-H74 PolarHBondContact N-O 3.21Å; V50-T76 PolarHBondContact O-N 3.12Å; V50-S77 PolarHBondContact O-N 2.93Å |
| 51 | K | 87.1 | Confident | 82.6 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.8 | 166.8 | 174.4 | 173.3 | -178.2 | -176.8 | 0 | 109.1 | N17 C42 E43 I45 N53 S77 | N17-K51 PolarHBondContact OD1-NZ 2.98Å; C42-K51 CarbonylContact C-O 3.27Å; C42-K51 WeakPolarHBondContact CA-O 3.5Å; E43-K51 HydrophobicContact CB-CB 4.28Å; E43-K51 PolarHBondContact N-O 3.43Å; E43-K51 PolarHBondContact O-N 2.99Å; I45-K51 HydrophobicContact CD1-CB 3.98Å; I45-K51 HydrophobicContact CG1-CB 4.17Å; K51-N53 WeakPolarHBondContact CE-OD1 3.48Å; K51-S77 WeakPolarHBondContact CA-O 3.49Å |
| 52 | V | 91.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.1 | 177.9 | -179.2 | 0 | 0 | 0 | 0 | 109 | F27 W37 C40 V50 F68 M75 S77 L78 S79 | F27-V52 HydrophobicContact CZ-CG1 4.17Å; F27-V52 HydrophobicContact CZ-CG2 4.2Å; W37-V52 HydrophobicContact CE3-CG1 4.49Å; W37-V52 HydrophobicContact CZ3-CG1 4.47Å; C40-V52 HydrophobicContact CB-CG1 4.03Å; V50-V52 HydrophobicContact CG1-CG2 4.29Å; V52-F68 HydrophobicContact CG2-CE2 4.13Å; V52-F68 HydrophobicContact CG2-CZ 4.09Å; V52-M75 HydrophobicContact CB-CE 4.49Å; V52-M75 HydrophobicContact CB-SD 4.31Å; V52-M75 HydrophobicContact CG2-CE 3.89Å; V52-M75 HydrophobicContact CG2-CG 3.92Å; V52-M75 HydrophobicContact CG2-SD 4.06Å; V52-S77 PolarHBondContact N-O 2.88Å; V52-L78 HydrophobicContact CB-CD1 4.05Å; V52-L78 HydrophobicContact CG1-CD1 4.04Å; V52-L78 WeakPolarHBondContact O-CA 3.43Å; V52-S79 PolarHBondContact O-N 3.12Å |
| 53 | N | 91 | Very high | 82.8 | Confident | 26 Ų | 26 | 44.2 Ų | 44.2 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 110.8 | -178.5 | -62.9 | -46.9 | 0 | 0 | 0 | 110.2 | C40 E41 K51 | C40-N53 WeakPolarHBondContact CA-O 3.41Å; E41-N53 PolarHBondContact N-O 3.12Å; E41-N53 PolarHBondContact O-N 3.06Å; K51-N53 WeakPolarHBondContact CE-OD1 3.48Å |
| 54 | C | 90 | Very high | 82.8 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 113.6 | 172.6 | -55.6 | 0 | 0 | 0 | 0 | 108.1 | C40 V57 W59 S79 I80 T81 | C40-C54 HydrophobicContact CB-CB 4.07Å; C40-C54 WeakPolarHBondContact CB-SG 3.19Å; C40-C54 WeakPolarHBondContact SG-CB 3.37Å; C40-C54 CovalentContact SG-SG 2.03Å; C40-C54 PolarHBondContact SG-SG 3.2Å; C54-V57 HydrophobicContact CB-CG1 3.91Å; C54-V57 HydrophobicContact CB-CG2 4.45Å; C54-W59 HydrophobicContact CB-CH2 4.19Å; C54-W59 HydrophobicContact CB-CZ3 4.28Å; C54-S79 PolarHBondContact N-O 3.33Å; C54-I80 HydrophobicContact CB-CB 4.48Å; C54-I80 HydrophobicContact CB-CG1 4.2Å; C54-I80 HydrophobicContact CB-CG2 4.33Å; C54-I80 CarbonylContact O-C 3.33Å; C54-I80 WeakPolarHBondContact O-CA 3.25Å; C54-T81 PolarHBondContact O-N 3.29Å |
| 55 | R | 85.4 | Confident | 83 | Confident | 177 Ų | 177 | 46.1 Ų | 46.1 | 67% | 0.668 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140.7 | 177.1 | -69.6 | -175.5 | 178.6 | 169.6 | 1.5 | 110.6 | V57 T81 | R55-V57 PolarHBondContact O-N 3.15Å; R55-T81 CarbonylContact C-O 3.13Å; R55-T81 WeakPolarHBondContact CA-O 3.16Å |
| 56 | S | 81.9 | Confident | 83.2 | Confident | 89 Ų | 89 | 45.4 Ų | 45.4 | 62% | 0.622 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 57.9 | 32.1 | 174.8 | -52.6 | 0 | 0 | 0 | 0 | 114.2 | T81 H82 | S56-T81 PolarHBondContact N-O 3.01Å; S56-H82 WeakPolarHBondContact CA-O 3.42Å |
| 57 | V | 79.9 | Confident | 82.9 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | trans | -77.7 | 134 | 177.4 | -65.1 | 0 | 0 | 0 | 0 | 110.6 | C54 R55 W59 I80 G83 N84 | C54-V57 HydrophobicContact CB-CG1 3.91Å; C54-V57 HydrophobicContact CB-CG2 4.45Å; R55-V57 PolarHBondContact O-N 3.15Å; V57-W59 HydrophobicContact CB-CD2 3.78Å; V57-W59 HydrophobicContact CB-CE3 4.13Å; V57-W59 HydrophobicContact CB-CG 4.12Å; V57-W59 HydrophobicContact CB-CZ2 4.2Å; V57-W59 HydrophobicContact CB-CZ3 4.5Å; V57-W59 HydrophobicContact CG1-CD2 4.44Å; V57-W59 HydrophobicContact CG1-CH2 4.21Å; V57-W59 HydrophobicContact CG1-CZ2 3.97Å; V57-W59 HydrophobicContact CG2-CD2 3.66Å; V57-W59 HydrophobicContact CG2-CE3 3.54Å; V57-W59 HydrophobicContact CG2-CG 4.13Å; V57-W59 HydrophobicContact CG2-CH2 4.46Å; V57-W59 HydrophobicContact CG2-CZ3 3.98Å; V57-W59 PolarHBondContact O-N 3.27Å; V57-I80 HydrophobicContact CG2-CG2 3.49Å; V57-I80 VanDerWaalsContact CG2-CG2 3.49Å; V57-G83 VanDerWaalsContact O-CA 3.23Å; V57-G83 WeakPolarHBondContact O-CA 2.92Å; V57-N84 PolarHBondContact O-N 3.22Å | ||
| 58 | A | 76 | Confident | 82.5 | Confident | 51 Ų | 51 | 40.7 Ų | 40.7 | 42% | 0.421 | 23% | 0.233 | S | C | . | . | trans | -82 | 28.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K871 | A58-K871 HydrophobicContact CB-CD 3.84Å; A58-K871 HydrophobicContact CB-CG 4.05Å | ||
| 59 | W | 80.8 | Confident | 81.5 | Confident | 27 Ų | 27 | 43.8 Ų | 43.8 | 10% | 0.102 | 25% | 0.245 | C | C | . | . | trans | -80.8 | 137.6 | -178.9 | -53 | -26.1 | 0 | 0 | 0 | 110.5 | I36 W37 C54 V57 T61 P63 I80 N84 L85 | I36-W59 HydrophobicContact CG2-CZ2 4.48Å; I36-W59 VanDerWaalsContact CG2-NE1 3.34Å; I36-W59 VanDerWaalsContact O-CZ2 3.31Å; I36-W59 WeakPolarHBondContact O-CZ2 3.46Å; W37-W59 AromaticContact CD2-CH2 3.81Å; W37-W59 HydrophobicContact CD2-CH2 3.81Å; W37-W59 HydrophobicContact CD2-CZ2 4.48Å; W37-W59 AromaticContact CE3-CH2 3.73Å; W37-W59 HydrophobicContact CE3-CH2 3.73Å; W37-W59 HydrophobicContact CE3-CZ3 4.33Å; W37-W59 HydrophobicContact CG-CH2 4.39Å; W37-W59 HydrophobicContact CH2-CH2 4.29Å; W37-W59 HydrophobicContact CH2-CZ3 4.11Å; W37-W59 HydrophobicContact CZ2-CH2 4.38Å; W37-W59 HydrophobicContact CZ2-CZ3 4.32Å; W37-W59 AromaticContact CZ3-CH2 3.98Å; W37-W59 HydrophobicContact CZ3-CH2 3.98Å; W37-W59 HydrophobicContact CZ3-CZ3 4.12Å; C54-W59 HydrophobicContact CB-CH2 4.19Å; C54-W59 HydrophobicContact CB-CZ3 4.28Å; V57-W59 HydrophobicContact CB-CD2 3.78Å; V57-W59 HydrophobicContact CB-CE3 4.13Å; V57-W59 HydrophobicContact CB-CG 4.12Å; V57-W59 HydrophobicContact CB-CZ2 4.2Å; V57-W59 HydrophobicContact CB-CZ3 4.5Å; V57-W59 HydrophobicContact CG1-CD2 4.44Å; V57-W59 HydrophobicContact CG1-CH2 4.21Å; V57-W59 HydrophobicContact CG1-CZ2 3.97Å; V57-W59 HydrophobicContact CG2-CD2 3.66Å; V57-W59 HydrophobicContact CG2-CE3 3.54Å; V57-W59 HydrophobicContact CG2-CG 4.13Å; V57-W59 HydrophobicContact CG2-CH2 4.46Å; V57-W59 HydrophobicContact CG2-CZ3 3.98Å; V57-W59 PolarHBondContact O-N 3.27Å; W59-T61 WeakPolarHBondContact CB-O 3.38Å; W59-P63 HydrophobicContact CB-CG 4.49Å; W59-P63 HydrophobicContact CD2-CG 3.59Å; W59-P63 HydrophobicContact CE3-CG 3.82Å; W59-P63 HydrophobicContact CG-CG 3.9Å; W59-P63 HydrophobicContact CZ2-CG 4.37Å; W59-P63 HydrophobicContact CZ3-CG 4.29Å; W59-I80 HydrophobicContact CE3-CD1 4.37Å; W59-I80 HydrophobicContact CE3-CG2 4.01Å; W59-I80 HydrophobicContact CZ3-CD1 3.92Å; W59-I80 HydrophobicContact CZ3-CG1 4.17Å; W59-I80 HydrophobicContact CZ3-CG2 4.04Å; W59-N84 CarbonylContact O-C 3.21Å; W59-N84 VanDerWaalsContact O-O 3.12Å; W59-L85 HydrophobicContact CB-CD2 3.99Å; W59-L85 PolarHBondContact O-N 3.03Å | ||
| 60 | L | 74.3 | Confident | 80.3 | Confident | 94 Ų | 94 | 51.2 Ų | 51.2 | 49% | 0.492 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -83.7 | -27.5 | 176.7 | -59.1 | 171.2 | 0 | 0 | 0 | 112.4 | M86 F87 | L60-M86 HydrophobicContact CD2-CE 3.5Å; L60-M86 VanDerWaalsContact CD2-CE 3.5Å; L60-M86 PolarHBondContact O-N 3.29Å; L60-F87 PolarHBondContact O-N 2.97Å |
| 61 | T | 86.5 | Confident | 79 | Confident | 33 Ų | 33 | 53.6 Ų | 53.6 | 20% | 0.202 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -143.9 | 164.7 | 172.8 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | W59 P63 F87 S89 | W59-T61 WeakPolarHBondContact CB-O 3.38Å; T61-P63 VanDerWaalsContact O-CD 3.25Å; T61-P63 WeakPolarHBondContact O-CD 3.14Å; T61-F87 WeakPolarHBondContact CA-O 3.02Å; T61-F87 WeakPolarHBondContact CB-O 3.47Å; T61-F87 HydrophobicContact CG2-CE2 3.94Å; T61-F87 HydrophobicContact CG2-CZ 4.05Å; T61-F87 PolarHBondContact OG1-O 3.05Å; T61-S89 PolarHBondContact OG1-N 3.1Å; T61-S89 PolarHBondContact OG1-OG 3.08Å |
| 62 | V | 88.6 | Confident | 78.1 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 118.5 | 175.4 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | V65 I80 L85 I88 A92 F93 L103 | V62-V65 HydrophobicContact CG1-CG2 3.97Å; V62-I80 HydrophobicContact CG1-CD1 3.97Å; V62-I80 HydrophobicContact CG2-CD1 3.96Å; V62-L85 HydrophobicContact CG2-CD1 3.98Å; V62-L85 HydrophobicContact CG2-CD2 4.22Å; V62-I88 HydrophobicContact CG2-CD1 3.76Å; V62-A92 HydrophobicContact CB-CB 4.35Å; V62-F93 HydrophobicContact CB-CZ 4.4Å; V62-F93 HydrophobicContact CG1-CE1 3.86Å; V62-F93 HydrophobicContact CG1-CZ 4.12Å; V62-F93 HydrophobicContact CG2-CE1 4.43Å; V62-F93 HydrophobicContact CG2-CZ 3.92Å; V62-L103 HydrophobicContact CG2-CD2 4.46Å |
| 63 | P | 85.4 | Confident | 77.4 | Confident | 23 Ų | 23 | 65.2 Ų | 65.2 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 162.6 | 172.2 | -16.2 | 29.9 | 0 | 0 | 0 | 110.3 | I36 W59 T61 V65 | I36-P63 HydrophobicContact CD1-CB 4.45Å; W59-P63 HydrophobicContact CB-CG 4.49Å; W59-P63 HydrophobicContact CD2-CG 3.59Å; W59-P63 HydrophobicContact CE3-CG 3.82Å; W59-P63 HydrophobicContact CG-CG 3.9Å; W59-P63 HydrophobicContact CZ2-CG 4.37Å; W59-P63 HydrophobicContact CZ3-CG 4.29Å; T61-P63 VanDerWaalsContact O-CD 3.25Å; T61-P63 WeakPolarHBondContact O-CD 3.14Å; P63-V65 PolarHBondContact O-N 2.81Å |
| 64 | S | 82.7 | Confident | 77 | Confident | 117 Ų | 117 | 67.4 Ų | 67.4 | 82% | 0.818 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 119.2 | 174.1 | -60 | 0 | 0 | 0 | 0 | 110.7 | W37 P66 | W37-S64 PolarHBondContact NE1-O 3.21Å; S64-P66 WeakPolarHBondContact O-CD 3.26Å |
| 65 | V | 84.9 | Confident | 76.8 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 121.7 | -175.1 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | W37 V62 P63 M75 L78 A92 F93 Q96 | W37-V65 HydrophobicContact CH2-CG1 4.35Å; W37-V65 HydrophobicContact CH2-CG2 3.98Å; W37-V65 HydrophobicContact CZ2-CB 4.26Å; W37-V65 HydrophobicContact CZ2-CG1 4.45Å; W37-V65 HydrophobicContact CZ2-CG2 3.88Å; V62-V65 HydrophobicContact CG1-CG2 3.97Å; P63-V65 PolarHBondContact O-N 2.81Å; V65-M75 HydrophobicContact CG1-CE 3.7Å; V65-M75 HydrophobicContact CG1-SD 4.17Å; V65-L78 HydrophobicContact CG2-CD2 4.36Å; V65-A92 WeakPolarHBondContact CG2-O 3.48Å; V65-F93 HydrophobicContact CG2-CD1 3.96Å; V65-F93 HydrophobicContact CG2-CE1 4.33Å; V65-Q96 HydrophobicContact CB-CG 4.03Å; V65-Q96 HydrophobicContact CG1-CG 3.92Å; V65-Q96 PolarHBondContact O-NE2 3.16Å |
| 66 | P | 78.4 | Confident | 77 | Confident | 26 Ų | 26 | 59.8 Ų | 59.8 | 17% | 0.169 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 144.5 | -179.7 | 27.4 | -34.7 | 0 | 0 | 0 | 111.6 | F27 W37 S64 | F27-P66 HydrophobicContact CB-CB 3.93Å; F27-P66 HydrophobicContact CB-CG 4.11Å; F27-P66 HydrophobicContact CD1-CB 3.72Å; F27-P66 HydrophobicContact CD1-CG 3.33Å; F27-P66 HydrophobicContact CD2-CG 3.94Å; F27-P66 HydrophobicContact CE1-CB 4.4Å; F27-P66 HydrophobicContact CE1-CG 3.58Å; F27-P66 HydrophobicContact CE2-CG 4.17Å; F27-P66 HydrophobicContact CG-CB 3.87Å; F27-P66 HydrophobicContact CG-CG 3.51Å; F27-P66 HydrophobicContact CZ-CG 4Å; W37-P66 HydrophobicContact CD2-CG 4.19Å; W37-P66 VanDerWaalsContact CE2-CD 3.44Å; W37-P66 HydrophobicContact CG-CG 4.04Å; S64-P66 WeakPolarHBondContact O-CD 3.26Å |
| 67 | S | 71.3 | Confident | 77.5 | Confident | 44 Ų | 44 | 56 Ų | 56 | 31% | 0.308 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 143.4 | 175.5 | 69 | 0 | 0 | 0 | 0 | 112.1 | Q69 | S67-Q69 PolarHBondContact O-N 2.85Å; S67-Q69 WeakPolarHBondContact OG-CG 3.47Å |
| 68 | F | 66.9 | Low | 78.2 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 7% | 0.07 | 30% | 0.295 | C | S | . | . | trans | -80.9 | 20.3 | 177.5 | -80.7 | -78.8 | 0 | 0 | 0 | 114.3 | F27 V50 V52 K70 T71 Q73 M75 | F27-F68 HydrophobicContact CD1-CE1 4.05Å; F27-F68 HydrophobicContact CD1-CE2 4.27Å; F27-F68 AromaticContact CD1-CZ 3.94Å; F27-F68 HydrophobicContact CD1-CZ 3.94Å; F27-F68 HydrophobicContact CE1-CD2 4.35Å; F27-F68 AromaticContact CE1-CE1 3.92Å; F27-F68 HydrophobicContact CE1-CE1 3.92Å; F27-F68 AromaticContact CE1-CE2 3.59Å; F27-F68 HydrophobicContact CE1-CE2 3.59Å; F27-F68 AromaticContact CE1-CZ 3.33Å; F27-F68 HydrophobicContact CE1-CZ 3.33Å; F27-F68 HydrophobicContact CZ-CZ 4.06Å; V50-F68 HydrophobicContact CB-CZ 4.35Å; V50-F68 HydrophobicContact CG1-CZ 4.02Å; V52-F68 HydrophobicContact CG2-CE2 4.13Å; V52-F68 HydrophobicContact CG2-CZ 4.09Å; F68-K70 PolarHBondContact O-N 2.85Å; F68-T71 PolarHBondContact O-N 3.18Å; F68-T71 PolarHBondContact O-OG1 2.97Å; F68-Q73 WeakPolarHBondContact CB-O 3.33Å; F68-M75 HydrophobicContact CD2-CB 3.93Å; F68-M75 HydrophobicContact CD2-CE 4.42Å; F68-M75 HydrophobicContact CE2-CB 3.79Å; F68-M75 HydrophobicContact CE2-CE 3.81Å; F68-M75 HydrophobicContact CE2-CG 4.27Å | ||
| 69 | Q | 58.6 | Low | 79.1 | Confident | 148 Ų | 148 | 53.7 Ų | 53.7 | 69% | 0.692 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -22.9 | -166.3 | -77.7 | -177 | -7.1 | 0 | 0 | 117.8 | S67 | S67-Q69 PolarHBondContact O-N 2.85Å; S67-Q69 WeakPolarHBondContact OG-CG 3.47Å |
| 70 | K | 58 | Low | 79.7 | Confident | 164 Ų | 164 | 52.4 Ų | 52.4 | 71% | 0.713 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -26.5 | 178.5 | -84 | -170.7 | -179.6 | 172.6 | 0 | 113.9 | K28 F68 | K28-K70 HydrophobicContact CD-CD 4.39Å; K28-K70 HydrophobicContact CD-CG 4.07Å; K28-K70 HydrophobicContact CG-CD 4.03Å; K28-K70 HydrophobicContact CG-CG 4.16Å; F68-K70 PolarHBondContact O-N 2.85Å |
| 71 | T | 59.9 | Low | 80.6 | Confident | 52 Ų | 52 | 48.2 Ų | 48.2 | 32% | 0.319 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -87.8 | 146.3 | 168.5 | 54.9 | 0 | 0 | 0 | 0 | 106.5 | F68 Q73 | F68-T71 PolarHBondContact O-N 3.18Å; F68-T71 PolarHBondContact O-OG1 2.97Å; T71-Q73 PolarHBondContact O-N 2.81Å |
| 72 | K | 68.3 | Low | 80.6 | Confident | 198 Ų | 198 | 51.3 Ų | 51.3 | 86% | 0.861 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -66.8 | 13.3 | 169.9 | -74.2 | -177 | 175.2 | -177.8 | 0 | 112.4 | ||
| 73 | Q | 77.3 | Confident | 80 | Confident | 56 Ų | 56 | 51.6 Ų | 51.6 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | trans | -93.8 | 156.2 | -175.9 | -66.7 | 164.4 | -9.7 | 0 | 0 | 110.4 | A47 D48 V50 F68 T71 | A47-Q73 WeakPolarHBondContact O-CG 3.44Å; D48-Q73 CarbonylContact O-C 3.6Å; D48-Q73 WeakPolarHBondContact O-CA 3.36Å; V50-Q73 HydrophobicContact CG2-CB 3.89Å; V50-Q73 HydrophobicContact CG2-CG 4.12Å; F68-Q73 WeakPolarHBondContact CB-O 3.33Å; T71-Q73 PolarHBondContact O-N 2.81Å | ||
| 74 | H | 81 | Confident | 79.7 | Confident | 71 Ų | 71 | 52 Ų | 52 | 33% | 0.329 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 153.2 | 172 | 60 | -76.7 | 0 | 0 | 0 | 110.2 | D48 V50 T76 | D48-H74 PolarHBondContact O-CE1 3.07Å; D48-H74 VanDerWaalsContact O-CE1 3.26Å; D48-H74 PolarHBondContact O-N 3.21Å; D48-H74 PolarHBondContact O-ND1 2.75Å; V50-H74 PolarHBondContact N-O 3.21Å; H74-T76 PolarHBondContact CD2-OG1 2.95Å; H74-T76 PolarHBondContact NE2-OG1 2.95Å; H74-T76 PolarHBondContact O-N 2.62Å |
| 75 | M | 86.6 | Confident | 79.5 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 108.8 | 176.2 | -167.3 | -177.1 | -55.9 | 0 | 0 | 109 | F27 V52 V65 F68 L78 I98 | F27-M75 HydrophobicContact CE1-CE 4Å; F27-M75 HydrophobicContact CZ-CE 4.42Å; V52-M75 HydrophobicContact CB-CE 4.49Å; V52-M75 HydrophobicContact CB-SD 4.31Å; V52-M75 HydrophobicContact CG2-CE 3.89Å; V52-M75 HydrophobicContact CG2-CG 3.92Å; V52-M75 HydrophobicContact CG2-SD 4.06Å; V65-M75 HydrophobicContact CG1-CE 3.7Å; V65-M75 HydrophobicContact CG1-SD 4.17Å; F68-M75 HydrophobicContact CD2-CB 3.93Å; F68-M75 HydrophobicContact CD2-CE 4.42Å; F68-M75 HydrophobicContact CE2-CB 3.79Å; F68-M75 HydrophobicContact CE2-CE 3.81Å; F68-M75 HydrophobicContact CE2-CG 4.27Å; M75-L78 HydrophobicContact SD-CB 3.79Å; M75-L78 HydrophobicContact SD-CD1 4.11Å; M75-L78 HydrophobicContact SD-CD2 4.1Å; M75-L78 HydrophobicContact SD-CG 4.21Å; M75-I98 HydrophobicContact CG-CG1 4.34Å; M75-I98 HydrophobicContact SD-CD1 4.07Å; M75-I98 HydrophobicContact SD-CG1 4.23Å |
| 76 | T | 89.2 | Confident | 79.2 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 8% | 0.08 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -29.6 | 179.4 | -48.1 | 0 | 0 | 0 | 0 | 111.3 | A49 V50 H74 Q99 V100 | A49-T76 VanDerWaalsContact CB-OG1 3.26Å; A49-T76 WeakPolarHBondContact CB-OG1 3.33Å; V50-T76 PolarHBondContact O-N 3.12Å; H74-T76 PolarHBondContact CD2-OG1 2.95Å; H74-T76 PolarHBondContact NE2-OG1 2.95Å; H74-T76 PolarHBondContact O-N 2.62Å; T76-Q99 HydrophobicContact CG2-CB 4.02Å; T76-Q99 HydrophobicContact CG2-CG 3.92Å; T76-Q99 PolarHBondContact O-N 2.81Å; T76-V100 PolarHBondContact O-N 3.4Å; T76-V100 VanDerWaalsContact O-N 3.16Å |
| 77 | S | 92.6 | Very high | 79.4 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 136.8 | 178.5 | -180 | 0 | 0 | 0 | 0 | 110.4 | V50 K51 V52 V100 | V50-S77 PolarHBondContact O-N 2.93Å; K51-S77 WeakPolarHBondContact CA-O 3.49Å; V52-S77 PolarHBondContact N-O 2.88Å; S77-V100 CarbonylContact C-O 3.12Å; S77-V100 VanDerWaalsContact CA-O 3.31Å; S77-V100 WeakPolarHBondContact CA-O 3.39Å |
| 78 | L | 94.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 120.7 | 174 | 175.3 | 56.6 | 0 | 0 | 0 | 109.8 | W37 V52 V65 M75 I80 F93 I98 V100 L101 D102 | W37-L78 HydrophobicContact CH2-CD1 4.14Å; W37-L78 HydrophobicContact CH2-CD2 4.17Å; W37-L78 HydrophobicContact CZ3-CD1 3.7Å; V52-L78 HydrophobicContact CB-CD1 4.05Å; V52-L78 HydrophobicContact CG1-CD1 4.04Å; V52-L78 WeakPolarHBondContact O-CA 3.43Å; V65-L78 HydrophobicContact CG2-CD2 4.36Å; M75-L78 HydrophobicContact SD-CB 3.79Å; M75-L78 HydrophobicContact SD-CD1 4.11Å; M75-L78 HydrophobicContact SD-CD2 4.1Å; M75-L78 HydrophobicContact SD-CG 4.21Å; L78-I80 HydrophobicContact CD1-CD1 4.33Å; L78-I80 HydrophobicContact CD1-CG1 3.96Å; L78-I80 HydrophobicContact CD2-CD1 4.24Å; L78-I80 HydrophobicContact CG-CD1 4.35Å; L78-I80 HydrophobicContact CG-CG1 4.21Å; L78-F93 HydrophobicContact CD2-CD1 4.22Å; L78-F93 HydrophobicContact CD2-CE1 3.81Å; L78-I98 HydrophobicContact CB-CD1 3.97Å; L78-I98 HydrophobicContact CB-CG2 4.3Å; L78-I98 HydrophobicContact CD2-CD1 3.85Å; L78-V100 PolarHBondContact N-O 3Å; L78-L101 HydrophobicContact CB-CD1 4.05Å; L78-L101 HydrophobicContact CD2-CD1 4.04Å; L78-L101 HydrophobicContact CG-CD1 4.05Å; L78-L101 WeakPolarHBondContact O-CA 3.45Å; L78-D102 PolarHBondContact O-N 2.88Å |
| 79 | S | 95.2 | Very high | 81 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 8% | 0.077 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.7 | 174.4 | -63.3 | 0 | 0 | 0 | 0 | 109.6 | V52 C54 D102 | V52-S79 PolarHBondContact O-N 3.12Å; C54-S79 PolarHBondContact N-O 3.33Å; S79-D102 CarbonylContact C-O 3.43Å; S79-D102 VanDerWaalsContact CA-O 3.27Å; S79-D102 WeakPolarHBondContact CA-O 3.42Å |
| 80 | I | 94.5 | Very high | 82.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 95.8 | 171.6 | -52.8 | 169 | 0 | 0 | 0 | 107 | W37 C54 V57 W59 V62 L78 L85 D102 L103 N106 | W37-I80 HydrophobicContact CH2-CD1 4.12Å; C54-I80 HydrophobicContact CB-CB 4.48Å; C54-I80 HydrophobicContact CB-CG1 4.2Å; C54-I80 HydrophobicContact CB-CG2 4.33Å; C54-I80 CarbonylContact O-C 3.33Å; C54-I80 WeakPolarHBondContact O-CA 3.25Å; V57-I80 HydrophobicContact CG2-CG2 3.49Å; V57-I80 VanDerWaalsContact CG2-CG2 3.49Å; W59-I80 HydrophobicContact CE3-CD1 4.37Å; W59-I80 HydrophobicContact CE3-CG2 4.01Å; W59-I80 HydrophobicContact CZ3-CD1 3.92Å; W59-I80 HydrophobicContact CZ3-CG1 4.17Å; W59-I80 HydrophobicContact CZ3-CG2 4.04Å; V62-I80 HydrophobicContact CG1-CD1 3.97Å; V62-I80 HydrophobicContact CG2-CD1 3.96Å; L78-I80 HydrophobicContact CD1-CD1 4.33Å; L78-I80 HydrophobicContact CD1-CG1 3.96Å; L78-I80 HydrophobicContact CD2-CD1 4.24Å; L78-I80 HydrophobicContact CG-CD1 4.35Å; L78-I80 HydrophobicContact CG-CG1 4.21Å; I80-L85 HydrophobicContact CB-CD1 4.09Å; I80-L85 HydrophobicContact CG2-CD1 3.68Å; I80-L85 HydrophobicContact CG2-CG 4.27Å; I80-D102 PolarHBondContact N-O 2.94Å; I80-L103 HydrophobicContact CB-CD2 3.96Å; I80-L103 HydrophobicContact CD1-CD2 4.11Å; I80-L103 HydrophobicContact CG1-CD2 4.31Å; I80-L103 WeakPolarHBondContact O-CA 3.08Å; I80-N106 PolarHBondContact O-ND2 3.26Å |
| 81 | T | 93 | Very high | 83.8 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.043 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 160.3 | -168.7 | 65.1 | 0 | 0 | 0 | 0 | 112.6 | C54 R55 S56 G83 S104 | C54-T81 PolarHBondContact O-N 3.29Å; R55-T81 CarbonylContact C-O 3.13Å; R55-T81 WeakPolarHBondContact CA-O 3.16Å; S56-T81 PolarHBondContact N-O 3.01Å; T81-G83 PolarHBondContact O-N 3.01Å; T81-S104 WeakPolarHBondContact CA-O 3.24Å; T81-S104 VanDerWaalsContact CB-O 3.3Å; T81-S104 WeakPolarHBondContact CB-O 3.36Å; T81-S104 WeakPolarHBondContact CG2-OG 3.42Å |
| 82 | H | 85.7 | Confident | 85.1 | Confident | 97 Ų | 97 | 38.9 Ų | 38.9 | 45% | 0.449 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 58.9 | 19.3 | 178.4 | -54.4 | 82.7 | 0 | 0 | 0 | 113.5 | S56 S104 S105 | S56-H82 WeakPolarHBondContact CA-O 3.42Å; H82-S104 PolarHBondContact N-O 2.84Å; H82-S105 CarbonylContact C-O 3.48Å; H82-S105 WeakPolarHBondContact CA-O 3.39Å; H82-S105 PolarHBondContact N-O 2.79Å |
| 83 | G | 77 | Confident | 86.3 | Confident | 10 Ų | 10 | 29.5 Ų | 29.5 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -95.9 | -157.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | V57 T81 N106 | V57-G83 VanDerWaalsContact O-CA 3.23Å; V57-G83 WeakPolarHBondContact O-CA 2.92Å; T81-G83 PolarHBondContact O-N 3.01Å; G83-N106 WeakPolarHBondContact CA-OD1 3.3Å; G83-N106 PolarHBondContact N-OD1 2.93Å |
| 84 | N | 78.2 | Confident | 86.7 | Confident | 33 Ų | 33 | 32.8 Ų | 32.8 | 18% | 0.176 | 16% | 0.156 | C | C | . | . | trans | -125.6 | 33.6 | 177.9 | -164.7 | 30.1 | 0 | 0 | 0 | 112.1 | V57 W59 M86 N106 | V57-N84 PolarHBondContact O-N 3.22Å; W59-N84 CarbonylContact O-C 3.21Å; W59-N84 VanDerWaalsContact O-O 3.12Å; N84-M86 PolarHBondContact O-N 2.99Å; N84-N106 PolarHBondContact N-OD1 3.32Å | ||
| 85 | L | 79.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -58.6 | 115.5 | 172.9 | -64.6 | 177.8 | 0 | 0 | 0 | 107.6 | W59 V62 I80 I88 L103 N106 A107 I108 | W59-L85 HydrophobicContact CB-CD2 3.99Å; W59-L85 PolarHBondContact O-N 3.03Å; V62-L85 HydrophobicContact CG2-CD1 3.98Å; V62-L85 HydrophobicContact CG2-CD2 4.22Å; I80-L85 HydrophobicContact CB-CD1 4.09Å; I80-L85 HydrophobicContact CG2-CD1 3.68Å; I80-L85 HydrophobicContact CG2-CG 4.27Å; L85-I88 HydrophobicContact CD1-CD1 4.41Å; L85-L103 HydrophobicContact CD1-CD2 4.03Å; L85-N106 HydrophobicContact CB-CB 3.89Å; L85-N106 PolarHBondContact N-OD1 3.2Å; L85-A107 CarbonylContact O-C 3.11Å; L85-A107 WeakPolarHBondContact O-CA 3.11Å; L85-A107 PolarHBondContact O-N 3.48Å; L85-I108 HydrophobicContact CB-CD1 4.22Å; L85-I108 HydrophobicContact CB-CG1 3.83Å; L85-I108 WeakPolarHBondContact O-CA 3.32Å; L85-I108 VanDerWaalsContact O-CG1 3.26Å; L85-I108 WeakPolarHBondContact O-CG1 3.26Å; L85-I108 PolarHBondContact O-N 2.82Å | ||
| 86 | M | 77.7 | Confident | 86.7 | Confident | 43 Ų | 43 | 36.8 Ų | 36.8 | 21% | 0.212 | 18% | 0.18 | C | C | . | . | trans | -98.6 | -32.9 | 178.4 | -77.4 | -167.7 | -73.7 | 0 | 0 | 111.6 | L60 N84 A107 I108 D109 | L60-M86 HydrophobicContact CD2-CE 3.5Å; L60-M86 VanDerWaalsContact CD2-CE 3.5Å; L60-M86 PolarHBondContact O-N 3.29Å; N84-M86 PolarHBondContact O-N 2.99Å; M86-A107 WeakPolarHBondContact CA-O 3.09Å; M86-A107 HydrophobicContact CG-CB 4.07Å; M86-I108 CarbonylContact O-C 3.57Å; M86-I108 WeakPolarHBondContact O-CA 3.45Å; M86-D109 PolarHBondContact O-N 2.88Å; M86-D109 VanDerWaalsContact O-OD1 3.06Å | ||
| 87 | F | 82.3 | Confident | 86.6 | Confident | 85 Ų | 85 | 40.3 Ų | 40.3 | 37% | 0.373 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 159.6 | 176.5 | 64.2 | -87.4 | 0 | 0 | 0 | 111.3 | L60 T61 S110 | L60-F87 PolarHBondContact O-N 2.97Å; T61-F87 WeakPolarHBondContact CA-O 3.02Å; T61-F87 WeakPolarHBondContact CB-O 3.47Å; T61-F87 HydrophobicContact CG2-CE2 3.94Å; T61-F87 HydrophobicContact CG2-CZ 4.05Å; T61-F87 PolarHBondContact OG1-O 3.05Å; F87-S110 CarbonylContact C-O 3.57Å; F87-S110 WeakPolarHBondContact CA-O 3.32Å; F87-S110 WeakPolarHBondContact CB-O 3.46Å; F87-S110 VanDerWaalsContact CB-OG 3.26Å; F87-S110 WeakPolarHBondContact CB-OG 3.27Å |
| 88 | I | 88.9 | Confident | 86.6 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 118 | 170.7 | -48.5 | -62.9 | 0 | 0 | 0 | 108.9 | V62 L85 A92 F93 L103 I108 S110 I111 N112 A115 | V62-I88 HydrophobicContact CG2-CD1 3.76Å; L85-I88 HydrophobicContact CD1-CD1 4.41Å; I88-A92 HydrophobicContact CG2-CB 3.73Å; I88-F93 HydrophobicContact CG2-CE2 4.04Å; I88-L103 HydrophobicContact CD1-CD1 3.91Å; I88-L103 HydrophobicContact CG1-CD1 4.39Å; I88-I108 HydrophobicContact CD1-CD1 3.92Å; I88-I108 HydrophobicContact CD1-CG1 4.44Å; I88-I108 HydrophobicContact CG1-CD1 4.36Å; I88-I108 HydrophobicContact CG1-CG2 4.35Å; I88-S110 PolarHBondContact N-O 3.18Å; I88-I111 HydrophobicContact CB-CG2 4.2Å; I88-I111 HydrophobicContact CG1-CG1 4.24Å; I88-N112 WeakPolarHBondContact O-CB 3.38Å; I88-N112 PolarHBondContact O-N 3.32Å; I88-A115 HydrophobicContact CB-CB 4.07Å; I88-A115 HydrophobicContact CG2-CB 3.58Å |
| 89 | S | 84 | Confident | 86.6 | Confident | 37 Ų | 37 | 44 Ų | 44 | 26% | 0.259 | 22% | 0.215 | S | C | . | . | trans | -70 | 166.3 | -178.1 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | T61 A115 | T61-S89 PolarHBondContact OG1-N 3.1Å; T61-S89 PolarHBondContact OG1-OG 3.08Å; S89-A115 WeakPolarHBondContact O-CA 3.14Å | ||
| 90 | Y | 88.6 | Confident | 86.7 | Confident | 110 Ų | 110 | 44.6 Ų | 44.6 | 43% | 0.431 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 137.5 | 172.6 | 173.8 | -89 | 0 | 0 | 0 | 111.2 | A92 H114 R117 | Y90-A92 PolarHBondContact O-N 3.26Å; Y90-H114 HydrophobicContact CD2-CB 3.58Å; Y90-H114 AromaticContact CD2-CD2 3.81Å; Y90-H114 HydrophobicContact CE2-CB 3.53Å; Y90-H114 AromaticContact CE2-CD2 3.55Å; Y90-H114 AromaticContact CE2-CG 3.8Å; Y90-R117 PolarHBondContact OH-NH1 3.12Å; Y90-R117 VanDerWaalsContact OH-NH1 3.13Å |
| 91 | D | 85.6 | Confident | 86.8 | Confident | 23 Ų | 23 | 44.6 Ų | 44.6 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 28.2 | 177.7 | -76.8 | -2.7 | 0 | 0 | 0 | 114.4 | F93 R94 H114 R117 | D91-F93 PolarHBondContact O-N 3.19Å; D91-F93 VanDerWaalsContact O-N 3.12Å; D91-R94 HydrophobicContact CB-CB 3.94Å; D91-R94 WeakPolarHBondContact O-CB 3.41Å; D91-R94 PolarHBondContact O-N 3.12Å; D91-R94 VanDerWaalsContact O-N 3.16Å; D91-R94 WeakPolarHBondContact OD2-CD 3.42Å; D91-R94 IonicContact OD2-CZ 3.27Å; D91-R94 IonicContact OD2-NE 3Å; D91-R94 IonicContact OD2-NH1 2.82Å; D91-R94 PolarHBondContact OD2-NH1 2.92Å; D91-H114 PolarHBondContact N-O 3.05Å; D91-R117 WeakPolarHBondContact OD1-CD 3.15Å |
| 92 | A | 88.5 | Confident | 87.1 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 7% | 0.066 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -32.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | V62 V65 I88 Y90 A115 | V62-A92 HydrophobicContact CB-CB 4.35Å; V65-A92 WeakPolarHBondContact CG2-O 3.48Å; I88-A92 HydrophobicContact CG2-CB 3.73Å; Y90-A92 PolarHBondContact O-N 3.26Å; A92-A115 PolarHBondContact N-O 2.78Å |
| 93 | F | 92.5 | Very high | 87.6 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 22.9 | -178.1 | -52.6 | -78.2 | 0 | 0 | 0 | 113.2 | V62 V65 L78 I88 D91 D95 Q96 I98 L101 L103 A115 F116 R117 L119 | V62-F93 HydrophobicContact CB-CZ 4.4Å; V62-F93 HydrophobicContact CG1-CE1 3.86Å; V62-F93 HydrophobicContact CG1-CZ 4.12Å; V62-F93 HydrophobicContact CG2-CE1 4.43Å; V62-F93 HydrophobicContact CG2-CZ 3.92Å; V65-F93 HydrophobicContact CG2-CD1 3.96Å; V65-F93 HydrophobicContact CG2-CE1 4.33Å; L78-F93 HydrophobicContact CD2-CD1 4.22Å; L78-F93 HydrophobicContact CD2-CE1 3.81Å; I88-F93 HydrophobicContact CG2-CE2 4.04Å; D91-F93 PolarHBondContact O-N 3.19Å; D91-F93 VanDerWaalsContact O-N 3.12Å; F93-D95 PolarHBondContact O-N 2.91Å; F93-Q96 WeakPolarHBondContact O-CB 3.12Å; F93-Q96 WeakPolarHBondContact O-CG 3.14Å; F93-Q96 PolarHBondContact O-N 3.49Å; F93-I98 HydrophobicContact CD1-CD1 4.14Å; F93-L101 HydrophobicContact CD1-CD1 4.46Å; F93-L101 HydrophobicContact CD1-CD2 4.45Å; F93-L101 HydrophobicContact CD2-CD2 4.15Å; F93-L101 HydrophobicContact CE1-CD1 3.72Å; F93-L101 HydrophobicContact CE1-CD2 4.02Å; F93-L101 HydrophobicContact CE2-CD2 3.68Å; F93-L101 HydrophobicContact CZ-CD1 3.88Å; F93-L101 HydrophobicContact CZ-CD2 3.6Å; F93-L101 HydrophobicContact CZ-CG 4.36Å; F93-L103 HydrophobicContact CZ-CD1 4.23Å; F93-L103 HydrophobicContact CZ-CD2 4.49Å; F93-A115 WeakPolarHBondContact CD2-O 3.19Å; F93-F116 AromaticContact CD2-CD1 3.97Å; F93-F116 HydrophobicContact CD2-CD1 3.97Å; F93-F116 HydrophobicContact CD2-CE1 4.49Å; F93-F116 AromaticContact CE2-CD1 3.95Å; F93-F116 HydrophobicContact CE2-CD1 3.95Å; F93-F116 HydrophobicContact CE2-CE1 4.01Å; F93-R117 CarbonylContact C-O 3.58Å; F93-L119 HydrophobicContact CB-CD1 3.65Å; F93-L119 HydrophobicContact CB-CD2 4.13Å; F93-L119 HydrophobicContact CB-CG 3.82Å; F93-L119 HydrophobicContact CD2-CD1 4.07Å; F93-L119 HydrophobicContact CG-CD1 3.87Å |
| 94 | R | 85.1 | Confident | 88.5 | Confident | 124 Ų | 124 | 40.9 Ų | 40.9 | 47% | 0.468 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 139.9 | -178.4 | -174.8 | 175.2 | 177.2 | 165 | -5.7 | 111.3 | D91 Q96 R117 | D91-R94 HydrophobicContact CB-CB 3.94Å; D91-R94 WeakPolarHBondContact O-CB 3.41Å; D91-R94 PolarHBondContact O-N 3.12Å; D91-R94 VanDerWaalsContact O-N 3.16Å; D91-R94 WeakPolarHBondContact OD2-CD 3.42Å; D91-R94 IonicContact OD2-CZ 3.27Å; D91-R94 IonicContact OD2-NE 3Å; D91-R94 IonicContact OD2-NH1 2.82Å; D91-R94 PolarHBondContact OD2-NH1 2.92Å; R94-Q96 PolarHBondContact O-N 3.41Å; R94-R117 WeakPolarHBondContact CA-O 3.31Å; R94-R117 PolarHBondContact N-O 2.94Å |
| 95 | D | 81 | Confident | 89.3 | Confident | 138 Ų | 138 | 40.8 Ų | 40.8 | 74% | 0.738 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | 17.7 | 179.6 | -50.7 | -40.3 | 0 | 0 | 0 | 114.9 | F93 | F93-D95 PolarHBondContact O-N 2.91Š|
| 96 | Q | 87.2 | Confident | 89.6 | Confident | 23 Ų | 23 | 41.4 Ų | 41.4 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | trans | -96.7 | 152.7 | 172.9 | -55.5 | -56 | -47 | 0 | 0 | 111.8 | V65 F93 R94 I98 L119 | V65-Q96 HydrophobicContact CB-CG 4.03Å; V65-Q96 HydrophobicContact CG1-CG 3.92Å; V65-Q96 PolarHBondContact O-NE2 3.16Å; F93-Q96 WeakPolarHBondContact O-CB 3.12Å; F93-Q96 WeakPolarHBondContact O-CG 3.14Å; F93-Q96 PolarHBondContact O-N 3.49Å; R94-Q96 PolarHBondContact O-N 3.41Å; Q96-I98 HydrophobicContact CB-CD1 3.9Å; Q96-I98 HydrophobicContact CB-CG1 4.05Å; Q96-I98 HydrophobicContact CG-CD1 4.34Å; Q96-L119 HydrophobicContact CB-CD2 4.21Å | ||
| 97 | N | 87.1 | Confident | 90.1 | Very high | 86 Ų | 86 | 40.2 Ų | 40.2 | 46% | 0.46 | 20% | 0.202 | S | C | . | . | trans | -116.8 | 54.3 | 176.8 | -170.6 | 29.3 | 0 | 0 | 0 | 111.3 | ||||
| 98 | I | 92.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -83.3 | 130.6 | -176.6 | -62.4 | 162.4 | 0 | 0 | 0 | 109.4 | M75 L78 F93 Q96 V100 L101 L119 L123 | M75-I98 HydrophobicContact CG-CG1 4.34Å; M75-I98 HydrophobicContact SD-CD1 4.07Å; M75-I98 HydrophobicContact SD-CG1 4.23Å; L78-I98 HydrophobicContact CB-CD1 3.97Å; L78-I98 HydrophobicContact CB-CG2 4.3Å; L78-I98 HydrophobicContact CD2-CD1 3.85Å; F93-I98 HydrophobicContact CD1-CD1 4.14Å; Q96-I98 HydrophobicContact CB-CD1 3.9Å; Q96-I98 HydrophobicContact CB-CG1 4.05Å; Q96-I98 HydrophobicContact CG-CD1 4.34Å; I98-V100 WeakPolarHBondContact CG2-O 3.42Å; I98-L101 HydrophobicContact CG2-CB 4.26Å; I98-L119 HydrophobicContact CB-CD2 3.97Å; I98-L119 HydrophobicContact CG1-CD2 4.49Å; I98-L123 HydrophobicContact CG2-CD1 4.28Å; I98-L123 WeakPolarHBondContact O-CA 3.31Å; I98-L123 PolarHBondContact O-N 2.97Å | ||
| 99 | Q | 94.3 | Very high | 90 | Very high | 87 Ų | 87 | 40.1 Ų | 40.1 | 41% | 0.407 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -96.6 | -32.4 | 176.6 | -63.7 | 179.4 | -8.9 | 0 | 0 | 112.3 | T76 Y124 Q125 | T76-Q99 HydrophobicContact CG2-CB 4.02Å; T76-Q99 HydrophobicContact CG2-CG 3.92Å; T76-Q99 PolarHBondContact O-N 2.81Å; Q99-Y124 WeakPolarHBondContact O-CA 3.36Å; Q99-Y124 WeakPolarHBondContact O-CB 3.24Å; Q99-Y124 PolarHBondContact O-N 3.21Å; Q99-Q125 PolarHBondContact O-N 3.35Å |
| 100 | V | 96.8 | Very high | 90 | Very high | 23 Ų | 23 | 40.9 Ų | 40.9 | 14% | 0.139 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 118.4 | 176.9 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | T76 S77 L78 I98 Q125 | T76-V100 PolarHBondContact O-N 3.4Å; T76-V100 VanDerWaalsContact O-N 3.16Å; S77-V100 CarbonylContact C-O 3.12Å; S77-V100 VanDerWaalsContact CA-O 3.31Å; S77-V100 WeakPolarHBondContact CA-O 3.39Å; L78-V100 PolarHBondContact N-O 3Å; I98-V100 WeakPolarHBondContact CG2-O 3.42Å; V100-Q125 HydrophobicContact CG1-CB 4.32Å; V100-Q125 HydrophobicContact CG1-CG 4.37Å; V100-Q125 HydrophobicContact CG2-CB 4.33Å |
| 101 | L | 97.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 115.2 | 177.1 | -178.9 | 60.5 | 0 | 0 | 0 | 109.5 | L78 F93 I98 L103 F116 L119 L123 Q125 L126 V127 | L78-L101 HydrophobicContact CB-CD1 4.05Å; L78-L101 HydrophobicContact CD2-CD1 4.04Å; L78-L101 HydrophobicContact CG-CD1 4.05Å; L78-L101 WeakPolarHBondContact O-CA 3.45Å; F93-L101 HydrophobicContact CD1-CD1 4.46Å; F93-L101 HydrophobicContact CD1-CD2 4.45Å; F93-L101 HydrophobicContact CD2-CD2 4.15Å; F93-L101 HydrophobicContact CE1-CD1 3.72Å; F93-L101 HydrophobicContact CE1-CD2 4.02Å; F93-L101 HydrophobicContact CE2-CD2 3.68Å; F93-L101 HydrophobicContact CZ-CD1 3.88Å; F93-L101 HydrophobicContact CZ-CD2 3.6Å; F93-L101 HydrophobicContact CZ-CG 4.36Å; I98-L101 HydrophobicContact CG2-CB 4.26Å; L101-L103 HydrophobicContact CD1-CD2 4.02Å; L101-L103 HydrophobicContact CD1-CG 4.16Å; L101-L103 HydrophobicContact CD2-CD1 4.2Å; L101-L103 HydrophobicContact CG-CD1 4.28Å; L101-L103 HydrophobicContact CG-CD2 4.49Å; L101-L103 HydrophobicContact CG-CG 4.08Å; L101-F116 HydrophobicContact CD2-CD1 4.05Å; L101-F116 HydrophobicContact CD2-CE1 3.85Å; L101-L119 HydrophobicContact CD2-CD1 4.08Å; L101-L123 HydrophobicContact CB-CD1 3.64Å; L101-L123 HydrophobicContact CB-CD2 4.47Å; L101-Q125 PolarHBondContact N-O 2.55Å; L101-L126 HydrophobicContact CB-CD1 4.1Å; L101-L126 HydrophobicContact CD2-CD1 3.94Å; L101-L126 HydrophobicContact CG-CD1 4.05Å; L101-L126 WeakPolarHBondContact O-CA 3.37Å; L101-V127 PolarHBondContact O-N 3.46Å |
| 102 | D | 97.8 | Very high | 90.4 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 11% | 0.112 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 112.8 | 178.8 | 178.5 | 7.7 | 0 | 0 | 0 | 110.3 | L78 S79 I80 S104 V127 | L78-D102 PolarHBondContact O-N 2.88Å; S79-D102 CarbonylContact C-O 3.43Å; S79-D102 VanDerWaalsContact CA-O 3.27Å; S79-D102 WeakPolarHBondContact CA-O 3.42Å; I80-D102 PolarHBondContact N-O 2.94Å; D102-S104 WeakPolarHBondContact OD1-CB 3.47Å; D102-S104 PolarHBondContact OD1-N 3.37Å; D102-S104 PolarHBondContact OD1-OG 2.94Å; D102-V127 HydrophobicContact CB-CB 4.13Å; D102-V127 HydrophobicContact CB-CG2 4.41Å |
| 103 | L | 97.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -116.7 | 24.3 | 178.2 | -58.5 | 176.1 | 0 | 0 | 0 | 110.8 | V62 I80 L85 I88 F93 L101 N106 I108 V127 L128 N131 | V62-L103 HydrophobicContact CG2-CD2 4.46Å; I80-L103 HydrophobicContact CB-CD2 3.96Å; I80-L103 HydrophobicContact CD1-CD2 4.11Å; I80-L103 HydrophobicContact CG1-CD2 4.31Å; I80-L103 WeakPolarHBondContact O-CA 3.08Å; L85-L103 HydrophobicContact CD1-CD2 4.03Å; I88-L103 HydrophobicContact CD1-CD1 3.91Å; I88-L103 HydrophobicContact CG1-CD1 4.39Å; F93-L103 HydrophobicContact CZ-CD1 4.23Å; F93-L103 HydrophobicContact CZ-CD2 4.49Å; L101-L103 HydrophobicContact CD1-CD2 4.02Å; L101-L103 HydrophobicContact CD1-CG 4.16Å; L101-L103 HydrophobicContact CD2-CD1 4.2Å; L101-L103 HydrophobicContact CG-CD1 4.28Å; L101-L103 HydrophobicContact CG-CD2 4.49Å; L101-L103 HydrophobicContact CG-CG 4.08Å; L103-N106 PolarHBondContact O-ND2 3.16Å; L103-I108 HydrophobicContact CB-CD1 3.84Å; L103-I108 HydrophobicContact CD1-CD1 4.36Å; L103-V127 PolarHBondContact N-O 3.45Å; L103-L128 HydrophobicContact CB-CD2 4.02Å; L103-L128 HydrophobicContact CD1-CD2 4.21Å; L103-N131 PolarHBondContact O-ND2 3.24Å | ||
| 104 | S | 96.1 | Very high | 90.1 | Very high | 15 Ų | 15 | 45.9 Ų | 45.9 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | trans | -68.7 | 158.1 | -176 | 61.8 | 0 | 0 | 0 | 0 | 113.7 | T81 H82 D102 N106 D129 | T81-S104 WeakPolarHBondContact CA-O 3.24Å; T81-S104 VanDerWaalsContact CB-O 3.3Å; T81-S104 WeakPolarHBondContact CB-O 3.36Å; T81-S104 WeakPolarHBondContact CG2-OG 3.42Å; H82-S104 PolarHBondContact N-O 2.84Å; D102-S104 WeakPolarHBondContact OD1-CB 3.47Å; D102-S104 PolarHBondContact OD1-N 3.37Å; D102-S104 PolarHBondContact OD1-OG 2.94Å; S104-N106 PolarHBondContact O-N 3.31Å; S104-N106 PolarHBondContact O-ND2 3.4Å; S104-N106 VanDerWaalsContact O-ND2 3.16Å; S104-D129 CarbonylContact C-O 3.59Å; S104-D129 WeakPolarHBondContact CA-O 3.29Å; S104-D129 VanDerWaalsContact CB-O 3.25Å; S104-D129 WeakPolarHBondContact CB-O 3.28Å | ||
| 105 | S | 94 | Very high | 90.4 | Very high | 30 Ų | 30 | 40 Ų | 40 | 21% | 0.21 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 58.7 | 45.2 | 177.4 | -56 | 0 | 0 | 0 | 0 | 112.5 | H82 D129 N130 | H82-S105 CarbonylContact C-O 3.48Å; H82-S105 WeakPolarHBondContact CA-O 3.39Å; H82-S105 PolarHBondContact N-O 2.79Å; S105-D129 PolarHBondContact N-O 2.61Å; S105-N130 VanDerWaalsContact CA-O 3.24Å; S105-N130 WeakPolarHBondContact CA-O 3.35Å; S105-N130 PolarHBondContact N-O 3.02Å |
| 106 | N | 86.3 | Confident | 91.1 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -118.4 | -161.6 | 171.2 | -74 | -82.7 | 0 | 0 | 0 | 109.6 | I80 G83 N84 L85 L103 S104 I108 N130 N131 | I80-N106 PolarHBondContact O-ND2 3.26Å; G83-N106 WeakPolarHBondContact CA-OD1 3.3Å; G83-N106 PolarHBondContact N-OD1 2.93Å; N84-N106 PolarHBondContact N-OD1 3.32Å; L85-N106 HydrophobicContact CB-CB 3.89Å; L85-N106 PolarHBondContact N-OD1 3.2Å; L103-N106 PolarHBondContact O-ND2 3.16Å; S104-N106 PolarHBondContact O-N 3.31Å; S104-N106 PolarHBondContact O-ND2 3.4Å; S104-N106 VanDerWaalsContact O-ND2 3.16Å; N106-I108 HydrophobicContact CB-CD1 4.3Å; N106-I108 HydrophobicContact CB-CG1 4.04Å; N106-N130 PolarHBondContact N-O 2.63Å; N106-N131 WeakPolarHBondContact CA-OD1 3.43Å; N106-N131 VanDerWaalsContact CB-OD1 3.24Å; N106-N131 WeakPolarHBondContact CB-OD1 3.47Å; N106-N131 PolarHBondContact N-OD1 2.96Å; N106-N131 PolarHBondContact O-OD1 3.01Å |
| 107 | A | 88.2 | Confident | 91.2 | Very high | 18 Ų | 18 | 38 Ų | 38 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | trans | -116.5 | 31.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L85 M86 D109 V132 | L85-A107 CarbonylContact O-C 3.11Å; L85-A107 WeakPolarHBondContact O-CA 3.11Å; L85-A107 PolarHBondContact O-N 3.48Å; M86-A107 WeakPolarHBondContact CA-O 3.09Å; M86-A107 HydrophobicContact CG-CB 4.07Å; A107-D109 PolarHBondContact O-N 2.83Å; A107-D109 VanDerWaalsContact O-N 3.12Å; A107-V132 WeakPolarHBondContact O-CG2 3.21Å | ||
| 108 | I | 86.2 | Confident | 91.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -68.3 | 114.8 | -171.6 | -58.4 | 167.2 | 0 | 0 | 0 | 109 | L85 M86 I88 L103 N106 I111 L128 N131 V132 L133 | L85-I108 HydrophobicContact CB-CD1 4.22Å; L85-I108 HydrophobicContact CB-CG1 3.83Å; L85-I108 WeakPolarHBondContact O-CA 3.32Å; L85-I108 VanDerWaalsContact O-CG1 3.26Å; L85-I108 WeakPolarHBondContact O-CG1 3.26Å; L85-I108 PolarHBondContact O-N 2.82Å; M86-I108 CarbonylContact O-C 3.57Å; M86-I108 WeakPolarHBondContact O-CA 3.45Å; I88-I108 HydrophobicContact CD1-CD1 3.92Å; I88-I108 HydrophobicContact CD1-CG1 4.44Å; I88-I108 HydrophobicContact CG1-CD1 4.36Å; I88-I108 HydrophobicContact CG1-CG2 4.35Å; L103-I108 HydrophobicContact CB-CD1 3.84Å; L103-I108 HydrophobicContact CD1-CD1 4.36Å; N106-I108 HydrophobicContact CB-CD1 4.3Å; N106-I108 HydrophobicContact CB-CG1 4.04Å; I108-I111 HydrophobicContact CG2-CD1 4.37Å; I108-I111 HydrophobicContact CG2-CG1 3.84Å; I108-L128 HydrophobicContact CD1-CD2 4.2Å; I108-N131 HydrophobicContact CB-CB 4.23Å; I108-N131 VanDerWaalsContact CB-OD1 3.3Å; I108-N131 WeakPolarHBondContact CB-OD1 3.14Å; I108-N131 VanDerWaalsContact CG1-OD1 3.3Å; I108-N131 WeakPolarHBondContact CG1-OD1 3.39Å; I108-N131 PolarHBondContact N-OD1 3.42Å; I108-V132 CarbonylContact O-C 3.59Å; I108-V132 WeakPolarHBondContact O-CG2 3.3Å; I108-V132 PolarHBondContact O-N 2.99Å; I108-V132 VanDerWaalsContact O-N 3.09Å; I108-L133 HydrophobicContact CG2-CD2 4.08Å; I108-L133 PolarHBondContact O-N 3.11Å | ||
| 109 | D | 82.3 | Confident | 91.4 | Very high | 85 Ų | 85 | 35.2 Ų | 35.2 | 46% | 0.455 | 19% | 0.191 | S | C | . | . | trans | -104.5 | -24.9 | 173.4 | 66 | 13.1 | 0 | 0 | 0 | 112.4 | M86 A107 V132 | M86-D109 PolarHBondContact O-N 2.88Å; M86-D109 VanDerWaalsContact O-OD1 3.06Å; A107-D109 PolarHBondContact O-N 2.83Å; A107-D109 VanDerWaalsContact O-N 3.12Å; D109-V132 HydrophobicContact CB-CG2 3.74Å | ||
| 110 | S | 84.7 | Confident | 91.3 | Very high | 53 Ų | 53 | 33.9 Ų | 33.9 | 37% | 0.371 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 133.8 | -170.6 | 54.5 | 0 | 0 | 0 | 0 | 112.1 | F87 I88 | F87-S110 CarbonylContact C-O 3.57Å; F87-S110 WeakPolarHBondContact CA-O 3.32Å; F87-S110 WeakPolarHBondContact CB-O 3.46Å; F87-S110 VanDerWaalsContact CB-OG 3.26Å; F87-S110 WeakPolarHBondContact CB-OG 3.27Å; I88-S110 PolarHBondContact N-O 3.18Å |
| 111 | I | 91.7 | Very high | 90.9 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121 | 178.4 | -56.9 | 176.8 | 0 | 0 | 0 | 107 | I88 I108 A115 F116 L128 L133 P137 Q140 | I88-I111 HydrophobicContact CB-CG2 4.2Å; I88-I111 HydrophobicContact CG1-CG1 4.24Å; I108-I111 HydrophobicContact CG2-CD1 4.37Å; I108-I111 HydrophobicContact CG2-CG1 3.84Å; I111-A115 HydrophobicContact CG2-CB 3.64Å; I111-F116 HydrophobicContact CD1-CZ 4.33Å; I111-F116 HydrophobicContact CG2-CD2 4.49Å; I111-F116 HydrophobicContact CG2-CE2 3.72Å; I111-F116 HydrophobicContact CG2-CZ 3.98Å; I111-L128 HydrophobicContact CD1-CD1 3.99Å; I111-L128 HydrophobicContact CD1-CD2 4.24Å; I111-L133 HydrophobicContact CD1-CD1 4.45Å; I111-L133 HydrophobicContact CD1-CD2 4.08Å; I111-L133 HydrophobicContact CG1-CD2 4.23Å; I111-P137 HydrophobicContact CD1-CB 4.1Å; I111-P137 HydrophobicContact CD1-CG 4.38Å; I111-Q140 HydrophobicContact CB-CG 4.01Å; I111-Q140 HydrophobicContact CG2-CB 4.09Å; I111-Q140 HydrophobicContact CG2-CG 3.76Å; I111-Q140 WeakPolarHBondContact O-CG 3.49Å; I111-Q140 PolarHBondContact O-NE2 2.93Å |
| 112 | N | 90.8 | Very high | 90.6 | Very high | 65 Ų | 65 | 37.9 Ų | 37.9 | 35% | 0.348 | 22% | 0.216 | S | C | . | . | trans | -58.5 | 144.3 | 176.6 | -173.6 | -81.5 | 0 | 0 | 0 | 110.6 | I88 H114 A115 Q140 | I88-N112 WeakPolarHBondContact O-CB 3.38Å; I88-N112 PolarHBondContact O-N 3.32Å; N112-H114 PolarHBondContact O-N 2.82Å; N112-H114 PolarHBondContact OD1-N 3.47Å; N112-A115 HydrophobicContact CB-CB 4.31Å; N112-A115 WeakPolarHBondContact O-CB 3.26Å; N112-A115 PolarHBondContact O-N 3.06Å; N112-Q140 WeakPolarHBondContact O-CG 3.44Å | ||
| 113 | L | 86.2 | Confident | 90.5 | Very high | 85 Ų | 85 | 36.9 Ų | 36.9 | 45% | 0.445 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -31.6 | -178.3 | -174.9 | 61.1 | 0 | 0 | 0 | 113.5 | K139 | L113-K139 HydrophobicContact CD1-CB 3.77Š|
| 114 | H | 88.8 | Confident | 90.4 | Very high | 82 Ų | 82 | 40.2 Ų | 40.2 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 21.1 | -178.2 | -53 | -55.7 | 0 | 0 | 0 | 112.8 | Y90 D91 N112 F116 R117 | Y90-H114 HydrophobicContact CD2-CB 3.58Å; Y90-H114 AromaticContact CD2-CD2 3.81Å; Y90-H114 HydrophobicContact CE2-CB 3.53Å; Y90-H114 AromaticContact CE2-CD2 3.55Å; Y90-H114 AromaticContact CE2-CG 3.8Å; D91-H114 PolarHBondContact N-O 3.05Å; N112-H114 PolarHBondContact O-N 2.82Å; N112-H114 PolarHBondContact OD1-N 3.47Å; H114-F116 VanDerWaalsContact C-N 3.33Å; H114-F116 PolarHBondContact O-N 2.94Å; H114-R117 WeakPolarHBondContact O-CB 3.15Å; H114-R117 PolarHBondContact O-N 3.5Å |
| 115 | A | 91.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -43.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I88 S89 A92 F93 I111 N112 R117 | I88-A115 HydrophobicContact CB-CB 4.07Å; I88-A115 HydrophobicContact CG2-CB 3.58Å; S89-A115 WeakPolarHBondContact O-CA 3.14Å; A92-A115 PolarHBondContact N-O 2.78Å; F93-A115 WeakPolarHBondContact CD2-O 3.19Å; I111-A115 HydrophobicContact CG2-CB 3.64Å; N112-A115 HydrophobicContact CB-CB 4.31Å; N112-A115 WeakPolarHBondContact O-CB 3.26Å; N112-A115 PolarHBondContact O-N 3.06Å; A115-R117 VanDerWaalsContact C-N 3.34Å |
| 116 | F | 95 | Very high | 90.7 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 14.7 | -175.9 | -54 | -62.9 | 0 | 0 | 0 | 114 | F93 L101 I111 H114 G118 L119 L126 Q140 I141 L144 | F93-F116 AromaticContact CD2-CD1 3.97Å; F93-F116 HydrophobicContact CD2-CD1 3.97Å; F93-F116 HydrophobicContact CD2-CE1 4.49Å; F93-F116 AromaticContact CE2-CD1 3.95Å; F93-F116 HydrophobicContact CE2-CD1 3.95Å; F93-F116 HydrophobicContact CE2-CE1 4.01Å; L101-F116 HydrophobicContact CD2-CD1 4.05Å; L101-F116 HydrophobicContact CD2-CE1 3.85Å; I111-F116 HydrophobicContact CD1-CZ 4.33Å; I111-F116 HydrophobicContact CG2-CD2 4.49Å; I111-F116 HydrophobicContact CG2-CE2 3.72Å; I111-F116 HydrophobicContact CG2-CZ 3.98Å; H114-F116 VanDerWaalsContact C-N 3.33Å; H114-F116 PolarHBondContact O-N 2.94Å; F116-G118 PolarHBondContact O-N 2.74Å; F116-L119 HydrophobicContact CD1-CD1 4.44Å; F116-L119 WeakPolarHBondContact O-CB 3.39Å; F116-L119 PolarHBondContact O-N 3.19Å; F116-L119 VanDerWaalsContact O-N 3.15Å; F116-L126 HydrophobicContact CE1-CD1 4.15Å; F116-L126 HydrophobicContact CE1-CD2 4.41Å; F116-L126 HydrophobicContact CE2-CD2 4.19Å; F116-L126 HydrophobicContact CZ-CD1 4.31Å; F116-L126 HydrophobicContact CZ-CD2 3.97Å; F116-Q140 HydrophobicContact CD2-CB 4.3Å; F116-Q140 HydrophobicContact CE2-CB 4.25Å; F116-I141 HydrophobicContact CD2-CG2 4.06Å; F116-I141 HydrophobicContact CE2-CG2 3.9Å; F116-L144 HydrophobicContact CB-CD2 4.13Å |
| 117 | R | 89.6 | Confident | 91.3 | Very high | 115 Ų | 115 | 37.6 Ų | 37.6 | 43% | 0.434 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 134.7 | 176.5 | -169 | -174.5 | -175.1 | 170.7 | -1.1 | 110.4 | Y90 D91 F93 R94 H114 A115 E120 | Y90-R117 PolarHBondContact OH-NH1 3.12Å; Y90-R117 VanDerWaalsContact OH-NH1 3.13Å; D91-R117 WeakPolarHBondContact OD1-CD 3.15Å; F93-R117 CarbonylContact C-O 3.58Å; R94-R117 WeakPolarHBondContact CA-O 3.31Å; R94-R117 PolarHBondContact N-O 2.94Å; H114-R117 WeakPolarHBondContact O-CB 3.15Å; H114-R117 PolarHBondContact O-N 3.5Å; A115-R117 VanDerWaalsContact C-N 3.34Å; R117-E120 WeakPolarHBondContact CA-OE1 3.41Å |
| 118 | G | 88.8 | Confident | 91.7 | Very high | 28 Ų | 28 | 36.8 Ų | 36.8 | 29% | 0.289 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 101.1 | -19.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F116 E120 | F116-G118 PolarHBondContact O-N 2.74Å; G118-E120 WeakPolarHBondContact CA-OE2 2.98Å; G118-E120 PolarHBondContact N-OE1 2.99Å; G118-E120 PolarHBondContact N-OE2 2.89Å |
| 119 | L | 94.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | trans | -98 | 0.1 | -176.5 | -60.9 | -173.9 | 0 | 0 | 0 | 114 | F93 Q96 I98 L101 F116 S121 G122 L123 L144 | F93-L119 HydrophobicContact CB-CD1 3.65Å; F93-L119 HydrophobicContact CB-CD2 4.13Å; F93-L119 HydrophobicContact CB-CG 3.82Å; F93-L119 HydrophobicContact CD2-CD1 4.07Å; F93-L119 HydrophobicContact CG-CD1 3.87Å; Q96-L119 HydrophobicContact CB-CD2 4.21Å; I98-L119 HydrophobicContact CB-CD2 3.97Å; I98-L119 HydrophobicContact CG1-CD2 4.49Å; L101-L119 HydrophobicContact CD2-CD1 4.08Å; F116-L119 HydrophobicContact CD1-CD1 4.44Å; F116-L119 WeakPolarHBondContact O-CB 3.39Å; F116-L119 PolarHBondContact O-N 3.19Å; F116-L119 VanDerWaalsContact O-N 3.15Å; L119-S121 VanDerWaalsContact C-N 3.3Å; L119-S121 PolarHBondContact O-N 3.5Å; L119-G122 PolarHBondContact O-N 3.21Å; L119-L123 HydrophobicContact CB-CB 4.01Å; L119-L123 HydrophobicContact CB-CD2 4.41Å; L119-L123 HydrophobicContact CD1-CD1 4.5Å; L119-L123 HydrophobicContact CD1-CD2 4.05Å; L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 PolarHBondContact O-N 3.15Å; L119-L144 HydrophobicContact CB-CD2 4.19Å | ||
| 120 | E | 92.1 | Very high | 92.9 | Very high | 58 Ų | 58 | 36.8 Ų | 36.8 | 27% | 0.271 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -39.2 | -169.4 | -65.6 | 90.5 | 159.9 | 0 | 0 | 113.7 | R117 G118 K143 E145 | R117-E120 WeakPolarHBondContact CA-OE1 3.41Å; G118-E120 WeakPolarHBondContact CA-OE2 2.98Å; G118-E120 PolarHBondContact N-OE1 2.99Å; G118-E120 PolarHBondContact N-OE2 2.89Å; E120-K143 VanDerWaalsContact CB-O 3.32Å; E120-K143 WeakPolarHBondContact CB-O 3.36Å; E120-K143 HydrophobicContact CG-CB 3.86Å; E120-K143 WeakPolarHBondContact CG-O 3.26Å; E120-E145 PolarHBondContact O-N 3.26Å |
| 121 | S | 88.9 | Confident | 93 | Very high | 95 Ų | 95 | 34.6 Ų | 34.6 | 66% | 0.664 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -3 | -176 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | L119 Q146 | L119-S121 VanDerWaalsContact C-N 3.3Å; L119-S121 PolarHBondContact O-N 3.5Å; S121-Q146 WeakPolarHBondContact O-CG 3.41Å |
| 122 | G | 91.1 | Very high | 93 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 13% | 0.134 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -32.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115 | L119 Y124 | L119-G122 PolarHBondContact O-N 3.21Å; G122-Y124 PolarHBondContact O-N 3.31Å |
| 123 | L | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -72.6 | 115.4 | -171.5 | -170.2 | 68.2 | 0 | 0 | 0 | 111.5 | I98 L101 L119 L126 L144 Q146 L147 | I98-L123 HydrophobicContact CG2-CD1 4.28Å; I98-L123 WeakPolarHBondContact O-CA 3.31Å; I98-L123 PolarHBondContact O-N 2.97Å; L101-L123 HydrophobicContact CB-CD1 3.64Å; L101-L123 HydrophobicContact CB-CD2 4.47Å; L119-L123 HydrophobicContact CB-CB 4.01Å; L119-L123 HydrophobicContact CB-CD2 4.41Å; L119-L123 HydrophobicContact CD1-CD1 4.5Å; L119-L123 HydrophobicContact CD1-CD2 4.05Å; L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 PolarHBondContact O-N 3.15Å; L123-L126 HydrophobicContact CD2-CB 4.32Å; L123-L144 HydrophobicContact CD2-CD1 3.86Å; L123-L144 HydrophobicContact CD2-CD2 4.38Å; L123-Q146 CarbonylContact O-C 3.41Å; L123-L147 HydrophobicContact CG-CD1 4.35Å; L123-L147 VanDerWaalsContact O-CA 3.24Å; L123-L147 WeakPolarHBondContact O-CA 3.47Å; L123-L147 PolarHBondContact O-N 2.94Å; L123-L147 VanDerWaalsContact O-N 3.08Å | ||
| 124 | Y | 94.3 | Very high | 92.9 | Very high | 69 Ų | 69 | 32.4 Ų | 32.4 | 27% | 0.271 | 18% | 0.176 | S | C | . | . | trans | -96.2 | -36.3 | -176.4 | 170.7 | -90 | 0 | 0 | 0 | 112.3 | Q99 G122 Q148 Y149 | Q99-Y124 WeakPolarHBondContact O-CA 3.36Å; Q99-Y124 WeakPolarHBondContact O-CB 3.24Å; Q99-Y124 PolarHBondContact O-N 3.21Å; G122-Y124 PolarHBondContact O-N 3.31Å; Y124-Q148 HydrophobicContact CD2-CB 4.24Å; Y124-Q148 HydrophobicContact CD2-CG 3.88Å; Y124-Q148 HydrophobicContact CE2-CB 4.06Å; Y124-Q148 HydrophobicContact CE2-CG 3.79Å; Y124-Q148 PolarHBondContact O-N 2.99Å; Y124-Y149 HydrophobicContact CD1-CD2 4.38Å; Y124-Y149 AromaticContact CE1-CD2 3.7Å; Y124-Y149 HydrophobicContact CE1-CD2 3.7Å; Y124-Y149 AromaticContact CE1-CE2 3.74Å; Y124-Y149 HydrophobicContact CE1-CE2 3.74Å; Y124-Y149 AromaticContact CZ-CD2 3.96Å; Y124-Y149 AromaticContact CZ-CE2 3.61Å; Y124-Y149 PolarHBondContact O-N 3.28Å; Y124-Y149 VanDerWaalsContact OH-CE2 3.27Å; Y124-Y149 WeakPolarHBondContact OH-CE2 3.32Å | ||
| 125 | Q | 98.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 132 | -179.1 | 175.4 | 167.8 | 0.8 | 0 | 0 | 111.2 | F14 Q99 V100 L101 V127 Y149 H151 | F14-Q125 PolarHBondContact O-NE2 3.18Å; Q99-Q125 PolarHBondContact O-N 3.35Å; V100-Q125 HydrophobicContact CG1-CB 4.32Å; V100-Q125 HydrophobicContact CG1-CG 4.37Å; V100-Q125 HydrophobicContact CG2-CB 4.33Å; L101-Q125 PolarHBondContact N-O 2.55Å; Q125-V127 HydrophobicContact CG-CG2 4.01Å; Q125-Y149 WeakPolarHBondContact CA-O 3.49Å; Q125-H151 PolarHBondContact NE2-NE2 3.3Å; Q125-H151 VanDerWaalsContact NE2-NE2 3.18Å |
| 126 | L | 98.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 121.8 | 175.4 | 179.4 | 59.5 | 0 | 0 | 0 | 109.7 | L101 F116 L123 L128 I141 L144 L147 Y149 L150 H151 | L101-L126 HydrophobicContact CB-CD1 4.1Å; L101-L126 HydrophobicContact CD2-CD1 3.94Å; L101-L126 HydrophobicContact CG-CD1 4.05Å; L101-L126 WeakPolarHBondContact O-CA 3.37Å; F116-L126 HydrophobicContact CE1-CD1 4.15Å; F116-L126 HydrophobicContact CE1-CD2 4.41Å; F116-L126 HydrophobicContact CE2-CD2 4.19Å; F116-L126 HydrophobicContact CZ-CD1 4.31Å; F116-L126 HydrophobicContact CZ-CD2 3.97Å; L123-L126 HydrophobicContact CD2-CB 4.32Å; L126-L128 HydrophobicContact CD1-CG 4.33Å; L126-L128 HydrophobicContact CD2-CD1 3.98Å; L126-L128 HydrophobicContact CG-CD1 4.11Å; L126-L128 HydrophobicContact CG-CG 4.22Å; L126-I141 HydrophobicContact CD2-CG2 3.86Å; L126-L144 HydrophobicContact CD2-CD1 4.46Å; L126-L147 HydrophobicContact CB-CD1 3.77Å; L126-Y149 PolarHBondContact N-O 2.81Å; L126-L150 HydrophobicContact CB-CD1 4.14Å; L126-L150 HydrophobicContact CD2-CD1 4.02Å; L126-L150 HydrophobicContact CG-CD1 4.15Å; L126-H151 PolarHBondContact O-N 2.99Å |
| 127 | V | 98.4 | Very high | 93 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 118.1 | 179.3 | -169.5 | 0 | 0 | 0 | 0 | 109.9 | L101 D102 L103 Q125 D129 H151 | L101-V127 PolarHBondContact O-N 3.46Å; D102-V127 HydrophobicContact CB-CB 4.13Å; D102-V127 HydrophobicContact CB-CG2 4.41Å; L103-V127 PolarHBondContact N-O 3.45Å; Q125-V127 HydrophobicContact CG-CG2 4.01Å; V127-D129 HydrophobicContact CG1-CB 4.28Å; V127-H151 HydrophobicContact CB-CB 4.34Å; V127-H151 HydrophobicContact CG1-CB 3.9Å; V127-H151 HydrophobicContact CG2-CB 4.46Å |
| 128 | L | 98 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -125.6 | 19.4 | 179.2 | -72.6 | 165.7 | 0 | 0 | 0 | 111.4 | L103 I108 I111 L126 N131 L133 P137 H151 L152 N155 | L103-L128 HydrophobicContact CB-CD2 4.02Å; L103-L128 HydrophobicContact CD1-CD2 4.21Å; I108-L128 HydrophobicContact CD1-CD2 4.2Å; I111-L128 HydrophobicContact CD1-CD1 3.99Å; I111-L128 HydrophobicContact CD1-CD2 4.24Å; L126-L128 HydrophobicContact CD1-CG 4.33Å; L126-L128 HydrophobicContact CD2-CD1 3.98Å; L126-L128 HydrophobicContact CG-CD1 4.11Å; L126-L128 HydrophobicContact CG-CG 4.22Å; L128-N131 PolarHBondContact O-ND2 3.12Å; L128-L133 HydrophobicContact CB-CD1 4.16Å; L128-L133 HydrophobicContact CD1-CD1 4.2Å; L128-P137 HydrophobicContact CD1-CG 4.19Å; L128-H151 WeakPolarHBondContact CA-O 3.37Å; L128-H151 WeakPolarHBondContact CB-O 3.44Å; L128-H151 PolarHBondContact N-O 2.87Å; L128-L152 HydrophobicContact CB-CD2 3.86Å; L128-L152 HydrophobicContact CD1-CD2 3.97Å; L128-N155 PolarHBondContact O-ND2 3.36Å | ||
| 129 | D | 97.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 10% | 0.102 | 18% | 0.179 | C | C | . | . | trans | -58.8 | 152.6 | 179.7 | -70.3 | -9.3 | 0 | 0 | 0 | 112.4 | S104 S105 V127 N131 H151 L152 K153 | S104-D129 CarbonylContact C-O 3.59Å; S104-D129 WeakPolarHBondContact CA-O 3.29Å; S104-D129 VanDerWaalsContact CB-O 3.25Å; S104-D129 WeakPolarHBondContact CB-O 3.28Å; S105-D129 PolarHBondContact N-O 2.61Å; V127-D129 HydrophobicContact CG1-CB 4.28Å; D129-N131 PolarHBondContact O-N 2.82Å; D129-N131 PolarHBondContact O-ND2 3.44Å; D129-H151 WeakPolarHBondContact OD1-CB 3.3Å; D129-H151 IonicContact OD2-ND1 3.12Å; D129-L152 PolarHBondContact OD1-N 3.41Å; D129-L152 VanDerWaalsContact OD1-N 3.09Å; D129-K153 CarbonylContact C-O 3.23Å; D129-K153 VanDerWaalsContact CA-O 3.25Å; D129-K153 WeakPolarHBondContact CA-O 3.44Å; D129-K153 HydrophobicContact CB-CB 4.43Å; D129-K153 WeakPolarHBondContact OD1-CB 3.5Å; D129-K153 PolarHBondContact OD1-N 3.02Å | ||
| 130 | N | 94.3 | Very high | 93.3 | Very high | 67 Ų | 67 | 37.1 Ų | 37.1 | 36% | 0.358 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 55.8 | 47.9 | 176.5 | -49.8 | -64.8 | 0 | 0 | 0 | 112.7 | S105 N106 K153 N154 | S105-N130 VanDerWaalsContact CA-O 3.24Å; S105-N130 WeakPolarHBondContact CA-O 3.35Å; S105-N130 PolarHBondContact N-O 3.02Å; N106-N130 PolarHBondContact N-O 2.63Å; N130-K153 PolarHBondContact N-O 3.03Å; N130-N154 VanDerWaalsContact CA-O 3.31Å; N130-N154 WeakPolarHBondContact CA-O 3.47Å; N130-N154 WeakPolarHBondContact OD1-CB 3.5Å; N130-N154 PolarHBondContact OD1-ND2 2.9Å |
| 131 | N | 87.2 | Confident | 93.4 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -119 | -167 | 172.4 | -82 | -74.6 | 0 | 0 | 0 | 109.5 | L103 N106 I108 L128 D129 L133 N155 | L103-N131 PolarHBondContact O-ND2 3.24Å; N106-N131 WeakPolarHBondContact CA-OD1 3.43Å; N106-N131 VanDerWaalsContact CB-OD1 3.24Å; N106-N131 WeakPolarHBondContact CB-OD1 3.47Å; N106-N131 PolarHBondContact N-OD1 2.96Å; N106-N131 PolarHBondContact O-OD1 3.01Å; I108-N131 HydrophobicContact CB-CB 4.23Å; I108-N131 VanDerWaalsContact CB-OD1 3.3Å; I108-N131 WeakPolarHBondContact CB-OD1 3.14Å; I108-N131 VanDerWaalsContact CG1-OD1 3.3Å; I108-N131 WeakPolarHBondContact CG1-OD1 3.39Å; I108-N131 PolarHBondContact N-OD1 3.42Å; L128-N131 PolarHBondContact O-ND2 3.12Å; D129-N131 PolarHBondContact O-N 2.82Å; D129-N131 PolarHBondContact O-ND2 3.44Å; N131-L133 HydrophobicContact CB-CG 4.47Å; N131-N155 WeakPolarHBondContact CA-OD1 3.3Å; N131-N155 WeakPolarHBondContact CB-OD1 3.14Å; N131-N155 PolarHBondContact O-OD1 3.48Å |
| 132 | V | 92.4 | Very high | 93.7 | Very high | 39 Ų | 39 | 32.5 Ų | 32.5 | 24% | 0.236 | 16% | 0.158 | C | C | . | . | trans | -120 | 28.6 | -179.4 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | A107 I108 D109 T134 N155 | A107-V132 WeakPolarHBondContact O-CG2 3.21Å; I108-V132 CarbonylContact O-C 3.59Å; I108-V132 WeakPolarHBondContact O-CG2 3.3Å; I108-V132 PolarHBondContact O-N 2.99Å; I108-V132 VanDerWaalsContact O-N 3.09Å; D109-V132 HydrophobicContact CB-CG2 3.74Å; V132-T134 PolarHBondContact O-N 2.71Å; V132-N155 PolarHBondContact N-OD1 3.1Å | ||
| 133 | L | 87.4 | Confident | 93.8 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | trans | -62.3 | 128.7 | 176.7 | -63.5 | 172.1 | 0 | 0 | 0 | 109.8 | I108 I111 L128 N131 L152 N155 R156 I157 | I108-L133 HydrophobicContact CG2-CD2 4.08Å; I108-L133 PolarHBondContact O-N 3.11Å; I111-L133 HydrophobicContact CD1-CD1 4.45Å; I111-L133 HydrophobicContact CD1-CD2 4.08Å; I111-L133 HydrophobicContact CG1-CD2 4.23Å; L128-L133 HydrophobicContact CB-CD1 4.16Å; L128-L133 HydrophobicContact CD1-CD1 4.2Å; N131-L133 HydrophobicContact CB-CG 4.47Å; L133-L152 HydrophobicContact CD1-CD2 3.82Å; L133-N155 HydrophobicContact CB-CB 4.33Å; L133-N155 VanDerWaalsContact CB-OD1 3.3Å; L133-N155 WeakPolarHBondContact CB-OD1 3.35Å; L133-N155 WeakPolarHBondContact CG-OD1 3.08Å; L133-N155 PolarHBondContact N-OD1 3.29Å; L133-R156 CarbonylContact O-C 3.57Å; L133-R156 VanDerWaalsContact O-CA 3.28Å; L133-R156 WeakPolarHBondContact O-CA 3.12Å; L133-R156 PolarHBondContact O-N 3.15Å; L133-I157 HydrophobicContact CB-CG1 4.49Å; L133-I157 WeakPolarHBondContact O-CG1 3.08Å; L133-I157 PolarHBondContact O-N 2.93Å; L133-I157 VanDerWaalsContact O-N 3.12Å | ||
| 134 | T | 86.5 | Confident | 93.7 | Very high | 72 Ų | 72 | 37.3 Ų | 37.3 | 44% | 0.442 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -93.6 | -10.8 | 176.3 | 55.2 | 0 | 0 | 0 | 0 | 113 | V132 R156 I157 D158 | V132-T134 PolarHBondContact O-N 2.71Å; T134-R156 WeakPolarHBondContact CA-O 3.28Å; T134-R156 HydrophobicContact CG2-CB 4.3Å; T134-I157 WeakPolarHBondContact O-CA 3.45Å; T134-D158 PolarHBondContact O-N 3.48Å; T134-D158 VanDerWaalsContact O-OD1 3.1Å |
| 135 | R | 90.1 | Very high | 93.7 | Very high | 124 Ų | 124 | 37.6 Ų | 37.6 | 47% | 0.468 | 18% | 0.18 | S | C | . | . | B | Isolated β-bridge | trans | -142.3 | 152.4 | -179.3 | -64.1 | 179.1 | 67 | 157.2 | 1.6 | 110.3 | E161 | R135-E161 IonicContact CZ-OE1 3.4Å; R135-E161 IonicContact CZ-OE2 3.61Å; R135-E161 IonicContact NH2-OE1 3.59Å; R135-E161 PolarHBondContact NH2-OE1 3.02Å; R135-E161 IonicContact NH2-OE2 2.63Å; R135-E161 PolarHBondContact NH2-OE2 2.88Å |
| 136 | V | 94.8 | Very high | 93.6 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | trans | -62.8 | 128.8 | 167.5 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | S138 L152 I157 M164 F165 L178 | V136-S138 PolarHBondContact O-N 3.21Å; V136-L152 HydrophobicContact CG1-CD1 3.95Å; V136-L152 HydrophobicContact CG2-CD1 4.46Å; V136-I157 HydrophobicContact CG2-CD1 4.14Å; V136-I157 HydrophobicContact CG2-CG2 4.04Å; V136-M164 HydrophobicContact CB-SD 3.93Å; V136-M164 HydrophobicContact CG1-SD 4.12Å; V136-M164 HydrophobicContact CG2-SD 4.21Å; V136-F165 HydrophobicContact CG1-CE2 4.3Å; V136-F165 HydrophobicContact CG1-CZ 3.71Å; V136-L178 HydrophobicContact CG2-CD2 3.98Å | ||
| 137 | P | 93.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.039 | 20% | 0.197 | C | C | . | . | trans | -78.8 | 47.7 | -176.1 | 33.7 | -37.4 | 0 | 0 | 0 | 112.5 | I111 L128 K139 Q140 I141 L152 | I111-P137 HydrophobicContact CD1-CB 4.1Å; I111-P137 HydrophobicContact CD1-CG 4.38Å; L128-P137 HydrophobicContact CD1-CG 4.19Å; P137-K139 VanDerWaalsContact C-N 3.33Å; P137-K139 PolarHBondContact O-N 3.15Å; P137-Q140 VanDerWaalsContact C-OE1 3.23Å; P137-Q140 HydrophobicContact CB-CB 4.24Å; P137-Q140 HydrophobicContact CB-CG 4.48Å; P137-Q140 PolarHBondContact O-N 2.92Å; P137-Q140 VanDerWaalsContact O-N 3.11Å; P137-Q140 PolarHBondContact O-OE1 2.79Å; P137-I141 HydrophobicContact CG-CG2 4.48Å; P137-I141 WeakPolarHBondContact O-CG1 3.05Å; P137-I141 PolarHBondContact O-N 2.93Å; P137-L152 HydrophobicContact CG-CD2 4.34Å | ||
| 138 | S | 93.2 | Very high | 93.5 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -41.1 | -169.4 | 58.4 | 0 | 0 | 0 | 0 | 113.4 | V136 E142 M164 | V136-S138 PolarHBondContact O-N 3.21Å; S138-E142 WeakPolarHBondContact O-CB 3.32Å; S138-E142 PolarHBondContact O-N 3.11Å; S138-M164 WeakPolarHBondContact CB-O 3.31Å; S138-M164 PolarHBondContact OG-O 3.09Å |
| 139 | K | 91.2 | Very high | 93.5 | Very high | 132 Ų | 132 | 45.1 Ų | 45.1 | 57% | 0.574 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | -36 | 178.5 | -65.2 | -175.1 | 179.3 | 178.8 | 0 | 113 | L113 P137 I141 E142 | L113-K139 HydrophobicContact CD1-CB 3.77Å; P137-K139 VanDerWaalsContact C-N 3.33Å; P137-K139 PolarHBondContact O-N 3.15Å; K139-I141 VanDerWaalsContact C-N 3.33Å; K139-E142 WeakPolarHBondContact O-CG 3.42Å |
| 140 | Q | 93.9 | Very high | 93.6 | Very high | 53 Ų | 53 | 44.2 Ų | 44.2 | 25% | 0.248 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -32.9 | -179.1 | -67.8 | 76.1 | -0.8 | 0 | 0 | 111.6 | I111 N112 F116 P137 | I111-Q140 HydrophobicContact CB-CG 4.01Å; I111-Q140 HydrophobicContact CG2-CB 4.09Å; I111-Q140 HydrophobicContact CG2-CG 3.76Å; I111-Q140 WeakPolarHBondContact O-CG 3.49Å; I111-Q140 PolarHBondContact O-NE2 2.93Å; N112-Q140 WeakPolarHBondContact O-CG 3.44Å; F116-Q140 HydrophobicContact CD2-CB 4.3Å; F116-Q140 HydrophobicContact CE2-CB 4.25Å; P137-Q140 VanDerWaalsContact C-OE1 3.23Å; P137-Q140 HydrophobicContact CB-CB 4.24Å; P137-Q140 HydrophobicContact CB-CG 4.48Å; P137-Q140 PolarHBondContact O-N 2.92Å; P137-Q140 VanDerWaalsContact O-N 3.11Å; P137-Q140 PolarHBondContact O-OE1 2.79Å |
| 141 | I | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -98.2 | -0.4 | -178.1 | 68 | 175.9 | 0 | 0 | 0 | 113.4 | F116 L126 P137 K139 K143 L144 L150 F165 L170 | F116-I141 HydrophobicContact CD2-CG2 4.06Å; F116-I141 HydrophobicContact CE2-CG2 3.9Å; L126-I141 HydrophobicContact CD2-CG2 3.86Å; P137-I141 HydrophobicContact CG-CG2 4.48Å; P137-I141 WeakPolarHBondContact O-CG1 3.05Å; P137-I141 PolarHBondContact O-N 2.93Å; K139-I141 VanDerWaalsContact C-N 3.33Å; I141-K143 PolarHBondContact O-N 3.12Å; I141-L144 HydrophobicContact CB-CD1 3.82Å; I141-L144 HydrophobicContact CB-CG 4.35Å; I141-L144 HydrophobicContact CG2-CD1 3.89Å; I141-L144 WeakPolarHBondContact O-CB 3.34Å; I141-L144 PolarHBondContact O-N 3.37Å; I141-L150 HydrophobicContact CD1-CD2 3.4Å; I141-F165 HydrophobicContact CD1-CE1 4.18Å; I141-L170 HydrophobicContact CD1-CD1 4.06Å; I141-L170 HydrophobicContact CG1-CD1 4.13Å; I141-L170 WeakPolarHBondContact O-CD2 3.27Å |
| 142 | E | 93.7 | Very high | 94.3 | Very high | 57 Ų | 57 | 40.7 Ų | 40.7 | 27% | 0.266 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -20 | -166.9 | 78 | -176.4 | -173.1 | 0 | 0 | 114.4 | S138 K139 A168 R169 | S138-E142 WeakPolarHBondContact O-CB 3.32Å; S138-E142 PolarHBondContact O-N 3.11Å; K139-E142 WeakPolarHBondContact O-CG 3.42Å; E142-A168 HydrophobicContact CB-CB 4.23Å; E142-R169 PolarHBondContact O-N 2.95Å |
| 143 | K | 92.8 | Very high | 94.5 | Very high | 111 Ų | 111 | 40 Ų | 40 | 48% | 0.483 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 6.5 | -178.1 | -54 | -173.8 | -176.4 | 172.1 | 0 | 114.3 | E120 I141 E145 | E120-K143 VanDerWaalsContact CB-O 3.32Å; E120-K143 WeakPolarHBondContact CB-O 3.36Å; E120-K143 HydrophobicContact CG-CB 3.86Å; E120-K143 WeakPolarHBondContact CG-O 3.26Å; I141-K143 PolarHBondContact O-N 3.12Å; K143-E145 VanDerWaalsContact C-N 3.28Å; K143-E145 PolarHBondContact O-N 3.15Å |
| 144 | L | 95.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | trans | -79.1 | 75.2 | 179.5 | -60.9 | -179.2 | 0 | 0 | 0 | 110.7 | F116 L119 L123 L126 I141 Q146 L147 L170 | F116-L144 HydrophobicContact CB-CD2 4.13Å; L119-L144 HydrophobicContact CB-CD2 4.19Å; L123-L144 HydrophobicContact CD2-CD1 3.86Å; L123-L144 HydrophobicContact CD2-CD2 4.38Å; L126-L144 HydrophobicContact CD2-CD1 4.46Å; I141-L144 HydrophobicContact CB-CD1 3.82Å; I141-L144 HydrophobicContact CB-CG 4.35Å; I141-L144 HydrophobicContact CG2-CD1 3.89Å; I141-L144 WeakPolarHBondContact O-CB 3.34Å; I141-L144 PolarHBondContact O-N 3.37Å; L144-Q146 PolarHBondContact O-N 3.28Å; L144-Q146 VanDerWaalsContact O-N 3.16Å; L144-L147 HydrophobicContact CB-CB 3.94Å; L144-L147 HydrophobicContact CB-CD2 4.44Å; L144-L147 HydrophobicContact CD1-CD2 4.21Å; L144-L147 WeakPolarHBondContact O-CB 3.47Å; L144-L147 PolarHBondContact O-N 2.76Å; L144-L147 VanDerWaalsContact O-N 3.1Å; L144-L170 HydrophobicContact CB-CD2 4.13Å; L144-L170 WeakPolarHBondContact O-CD2 3.24Å | ||
| 145 | E | 94 | Very high | 94.9 | Very high | 75 Ų | 75 | 39.8 Ų | 39.8 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.5 | -168.2 | -61.6 | -175.7 | 174.9 | 0 | 0 | 113.7 | E120 K143 R169 N172 | E120-E145 PolarHBondContact O-N 3.26Å; K143-E145 VanDerWaalsContact C-N 3.28Å; K143-E145 PolarHBondContact O-N 3.15Å; E145-R169 HydrophobicContact CG-CB 4.12Å; E145-R169 IonicContact OE1-NH1 3.7Å; E145-N172 PolarHBondContact O-ND2 2.97Å |
| 146 | Q | 95.6 | Very high | 94.9 | Very high | 78 Ų | 78 | 37.3 Ų | 37.3 | 36% | 0.364 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -3.4 | 178.9 | -60.1 | -51.9 | -47.8 | 0 | 0 | 114.6 | S121 L123 L144 Q148 | S121-Q146 WeakPolarHBondContact O-CG 3.41Å; L123-Q146 CarbonylContact O-C 3.41Å; L144-Q146 PolarHBondContact O-N 3.28Å; L144-Q146 VanDerWaalsContact O-N 3.16Å; Q146-Q148 PolarHBondContact O-N 3.47Å |
| 147 | L | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -64.9 | 124.2 | -174.9 | -170.3 | 70.8 | 0 | 0 | 0 | 110.3 | L123 L126 L144 L150 L170 N172 L173 | L123-L147 HydrophobicContact CG-CD1 4.35Å; L123-L147 VanDerWaalsContact O-CA 3.24Å; L123-L147 WeakPolarHBondContact O-CA 3.47Å; L123-L147 PolarHBondContact O-N 2.94Å; L123-L147 VanDerWaalsContact O-N 3.08Å; L126-L147 HydrophobicContact CB-CD1 3.77Å; L144-L147 HydrophobicContact CB-CB 3.94Å; L144-L147 HydrophobicContact CB-CD2 4.44Å; L144-L147 HydrophobicContact CD1-CD2 4.21Å; L144-L147 WeakPolarHBondContact O-CB 3.47Å; L144-L147 PolarHBondContact O-N 2.76Å; L144-L147 VanDerWaalsContact O-N 3.1Å; L147-L150 HydrophobicContact CD2-CB 4.38Å; L147-L170 HydrophobicContact CB-CD2 4.27Å; L147-L170 HydrophobicContact CD2-CD2 4.17Å; L147-N172 CarbonylContact O-C 3.22Å; L147-L173 HydrophobicContact CD2-CD1 4.1Å; L147-L173 HydrophobicContact CG-CD1 4.04Å; L147-L173 WeakPolarHBondContact O-CA 3.2Å; L147-L173 PolarHBondContact O-N 2.9Å | ||
| 148 | Q | 98.1 | Very high | 94.4 | Very high | 55 Ų | 55 | 40.1 Ų | 40.1 | 26% | 0.257 | 19% | 0.185 | S | C | . | . | trans | -110.3 | -32.8 | 177.9 | -64.2 | -166.4 | 13.9 | 0 | 0 | 113 | Y124 Q146 N172 R174 Y175 | Y124-Q148 HydrophobicContact CD2-CB 4.24Å; Y124-Q148 HydrophobicContact CD2-CG 3.88Å; Y124-Q148 HydrophobicContact CE2-CB 4.06Å; Y124-Q148 HydrophobicContact CE2-CG 3.79Å; Y124-Q148 PolarHBondContact O-N 2.99Å; Q146-Q148 PolarHBondContact O-N 3.47Å; Q148-N172 WeakPolarHBondContact CA-O 3.4Å; Q148-N172 HydrophobicContact CG-CB 4.26Å; Q148-R174 PolarHBondContact O-N 2.91Å; Q148-Y175 PolarHBondContact O-N 2.78Å | ||
| 149 | Y | 98.2 | Very high | 94.1 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 11% | 0.114 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 124.3 | -177 | -64.3 | -100 | 0 | 0 | 0 | 110.5 | Y124 Q125 L126 Y175 Y177 | Y124-Y149 HydrophobicContact CD1-CD2 4.38Å; Y124-Y149 AromaticContact CE1-CD2 3.7Å; Y124-Y149 HydrophobicContact CE1-CD2 3.7Å; Y124-Y149 AromaticContact CE1-CE2 3.74Å; Y124-Y149 HydrophobicContact CE1-CE2 3.74Å; Y124-Y149 AromaticContact CZ-CD2 3.96Å; Y124-Y149 AromaticContact CZ-CE2 3.61Å; Y124-Y149 PolarHBondContact O-N 3.28Å; Y124-Y149 VanDerWaalsContact OH-CE2 3.27Å; Y124-Y149 WeakPolarHBondContact OH-CE2 3.32Å; Q125-Y149 WeakPolarHBondContact CA-O 3.49Å; L126-Y149 PolarHBondContact N-O 2.81Å; Y149-Y175 HydrophobicContact CD1-CD1 4.49Å; Y149-Y175 AromaticContact CD1-CD2 3.57Å; Y149-Y175 HydrophobicContact CD1-CD2 3.57Å; Y149-Y175 HydrophobicContact CD1-CE2 4.4Å; Y149-Y175 AromaticContact CD1-CG 3.66Å; Y149-Y175 HydrophobicContact CD1-CG 3.66Å; Y149-Y175 HydrophobicContact CD2-CD2 4.3Å; Y149-Y175 HydrophobicContact CE1-CD1 4.03Å; Y149-Y175 AromaticContact CE1-CD2 3.17Å; Y149-Y175 HydrophobicContact CE1-CD2 3.17Å; Y149-Y175 HydrophobicContact CE1-CE1 4.34Å; Y149-Y175 AromaticContact CE1-CE2 3.57Å; Y149-Y175 HydrophobicContact CE1-CE2 3.57Å; Y149-Y175 AromaticContact CE1-CG 3.46Å; Y149-Y175 HydrophobicContact CE1-CG 3.46Å; Y149-Y175 VanDerWaalsContact CE1-CG 3.46Å; Y149-Y175 AromaticContact CE2-CD2 3.91Å; Y149-Y175 HydrophobicContact CE2-CD2 3.91Å; Y149-Y175 HydrophobicContact CE2-CE2 4.1Å; Y149-Y175 HydrophobicContact CG-CD2 4.12Å; Y149-Y175 HydrophobicContact CG-CG 4.48Å; Y149-Y175 AromaticContact CZ-CD2 3.36Å; Y149-Y175 AromaticContact CZ-CE2 3.39Å; Y149-Y175 VanDerWaalsContact OH-CE2 3.26Å; Y149-Y175 WeakPolarHBondContact OH-CE2 3.49Å; Y149-Y177 HydrophobicContact CD1-CE2 4.39Å |
| 150 | L | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 116.3 | 173.3 | 180 | 58.4 | 0 | 0 | 0 | 109.9 | L126 I141 L147 L152 L173 Y175 L176 Y177 | L126-L150 HydrophobicContact CB-CD1 4.14Å; L126-L150 HydrophobicContact CD2-CD1 4.02Å; L126-L150 HydrophobicContact CG-CD1 4.15Å; I141-L150 HydrophobicContact CD1-CD2 3.4Å; L147-L150 HydrophobicContact CD2-CB 4.38Å; L150-L152 HydrophobicContact CD1-CD1 4.39Å; L150-L152 HydrophobicContact CD1-CG 4.24Å; L150-L152 HydrophobicContact CD2-CD1 3.91Å; L150-L152 HydrophobicContact CG-CD1 3.94Å; L150-L152 HydrophobicContact CG-CG 4.12Å; L150-L173 HydrophobicContact CB-CD1 3.86Å; L150-Y175 PolarHBondContact N-O 3.44Å; L150-L176 HydrophobicContact CB-CD1 4.03Å; L150-L176 HydrophobicContact CD2-CD1 3.82Å; L150-L176 HydrophobicContact CG-CD1 3.91Å; L150-Y177 PolarHBondContact O-N 2.95Å |
| 151 | H | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 121.3 | 179.3 | -56.1 | -121.5 | 0 | 0 | 0 | 110.1 | Q125 L126 V127 L128 D129 Y177 | Q125-H151 PolarHBondContact NE2-NE2 3.3Å; Q125-H151 VanDerWaalsContact NE2-NE2 3.18Å; L126-H151 PolarHBondContact O-N 2.99Å; V127-H151 HydrophobicContact CB-CB 4.34Å; V127-H151 HydrophobicContact CG1-CB 3.9Å; V127-H151 HydrophobicContact CG2-CB 4.46Å; L128-H151 WeakPolarHBondContact CA-O 3.37Å; L128-H151 WeakPolarHBondContact CB-O 3.44Å; L128-H151 PolarHBondContact N-O 2.87Å; D129-H151 WeakPolarHBondContact OD1-CB 3.3Å; D129-H151 IonicContact OD2-ND1 3.12Å; H151-Y177 HydrophobicContact CB-CD2 4.45Å; H151-Y177 AromaticContact CE1-CD2 3.71Å; H151-Y177 AromaticContact CE1-CE2 3.54Å; H151-Y177 AromaticContact CG-CD2 3.77Å; H151-Y177 AromaticContact ND1-CD2 3.57Å; H151-Y177 AromaticContact ND1-CE2 3.89Å; H151-Y177 AromaticContact NE2-CE2 3.76Å |
| 152 | L | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -134 | 24.5 | -178.2 | -70.1 | 166.7 | 0 | 0 | 0 | 111.6 | L128 D129 L133 V136 P137 L150 N155 I157 L176 Y177 L178 N181 | L128-L152 HydrophobicContact CB-CD2 3.86Å; L128-L152 HydrophobicContact CD1-CD2 3.97Å; D129-L152 PolarHBondContact OD1-N 3.41Å; D129-L152 VanDerWaalsContact OD1-N 3.09Å; L133-L152 HydrophobicContact CD1-CD2 3.82Å; V136-L152 HydrophobicContact CG1-CD1 3.95Å; V136-L152 HydrophobicContact CG2-CD1 4.46Å; P137-L152 HydrophobicContact CG-CD2 4.34Å; L150-L152 HydrophobicContact CD1-CD1 4.39Å; L150-L152 HydrophobicContact CD1-CG 4.24Å; L150-L152 HydrophobicContact CD2-CD1 3.91Å; L150-L152 HydrophobicContact CG-CD1 3.94Å; L150-L152 HydrophobicContact CG-CG 4.12Å; L152-N155 PolarHBondContact O-ND2 3.36Å; L152-I157 HydrophobicContact CB-CD1 4.05Å; L152-I157 HydrophobicContact CD1-CD1 4.38Å; L152-I157 HydrophobicContact CD2-CD1 4.47Å; L152-L176 HydrophobicContact CD1-CD1 4.23Å; L152-Y177 CarbonylContact C-O 3.38Å; L152-Y177 WeakPolarHBondContact CA-O 3.26Å; L152-Y177 WeakPolarHBondContact CB-O 3.42Å; L152-Y177 PolarHBondContact N-O 3.38Å; L152-L178 HydrophobicContact CB-CD2 3.76Å; L152-L178 HydrophobicContact CD1-CD2 3.88Å; L152-L178 HydrophobicContact CG-CD2 4.49Å; L152-N181 PolarHBondContact O-ND2 2.88Å | ||
| 153 | K | 96.6 | Very high | 93.5 | Very high | 25 Ų | 25 | 39 Ų | 39 | 11% | 0.109 | 20% | 0.201 | C | C | . | . | trans | -66 | 157.5 | -179.4 | -53.1 | -178.9 | -174.9 | -167.3 | 0 | 111.4 | D129 N130 N155 D179 | D129-K153 CarbonylContact C-O 3.23Å; D129-K153 VanDerWaalsContact CA-O 3.25Å; D129-K153 WeakPolarHBondContact CA-O 3.44Å; D129-K153 HydrophobicContact CB-CB 4.43Å; D129-K153 WeakPolarHBondContact OD1-CB 3.5Å; D129-K153 PolarHBondContact OD1-N 3.02Å; N130-K153 PolarHBondContact N-O 3.03Å; K153-N155 PolarHBondContact O-N 2.85Å; K153-N155 PolarHBondContact O-ND2 3.23Å; K153-D179 CarbonylContact C-O 3.03Å; K153-D179 WeakPolarHBondContact CA-O 3.46Å; K153-D179 HydrophobicContact CB-CB 4.39Å; K153-D179 HydrophobicContact CD-CB 4.28Å; K153-D179 WeakPolarHBondContact CD-OD2 3.34Å; K153-D179 WeakPolarHBondContact CE-OD2 3.4Å; K153-D179 HydrophobicContact CG-CB 4.04Å; K153-D179 IonicContact NZ-OD2 3.72Å; K153-D179 PolarHBondContact NZ-OD2 3.32Å | ||
| 154 | N | 93.9 | Very high | 93.4 | Very high | 62 Ų | 62 | 34.7 Ų | 34.7 | 33% | 0.332 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 53.3 | 43.3 | 172.3 | -53.8 | -31.7 | 0 | 0 | 0 | 112.2 | N130 D179 N180 | N130-N154 VanDerWaalsContact CA-O 3.31Å; N130-N154 WeakPolarHBondContact CA-O 3.47Å; N130-N154 WeakPolarHBondContact OD1-CB 3.5Å; N130-N154 PolarHBondContact OD1-ND2 2.9Å; N154-D179 PolarHBondContact N-O 3.44Å; N154-N180 WeakPolarHBondContact CA-O 3.23Å; N154-N180 WeakPolarHBondContact OD1-CB 3.2Å; N154-N180 VanDerWaalsContact OD1-CG 3.25Å; N154-N180 PolarHBondContact OD1-ND2 3.19Å |
| 155 | N | 89.5 | Confident | 93.3 | Very high | 11 Ų | 11 | 34.6 Ų | 34.6 | 6% | 0.059 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -110 | -163 | 174.3 | -88.3 | -85.5 | 0 | 0 | 0 | 109.2 | L128 N131 V132 L133 L152 K153 I157 N181 | L128-N155 PolarHBondContact O-ND2 3.36Å; N131-N155 WeakPolarHBondContact CA-OD1 3.3Å; N131-N155 WeakPolarHBondContact CB-OD1 3.14Å; N131-N155 PolarHBondContact O-OD1 3.48Å; V132-N155 PolarHBondContact N-OD1 3.1Å; L133-N155 HydrophobicContact CB-CB 4.33Å; L133-N155 VanDerWaalsContact CB-OD1 3.3Å; L133-N155 WeakPolarHBondContact CB-OD1 3.35Å; L133-N155 WeakPolarHBondContact CG-OD1 3.08Å; L133-N155 PolarHBondContact N-OD1 3.29Å; L152-N155 PolarHBondContact O-ND2 3.36Å; K153-N155 PolarHBondContact O-N 2.85Å; K153-N155 PolarHBondContact O-ND2 3.23Å; N155-I157 HydrophobicContact CB-CD1 4.31Å; N155-I157 HydrophobicContact CB-CG1 4.11Å; N155-N181 VanDerWaalsContact CA-OD1 3.26Å; N155-N181 WeakPolarHBondContact CA-OD1 3.36Å; N155-N181 WeakPolarHBondContact CB-OD1 3.48Å; N155-N181 PolarHBondContact N-OD1 2.75Å; N155-N181 PolarHBondContact O-OD1 2.83Å |
| 156 | R | 89.3 | Confident | 93.1 | Very high | 72 Ų | 72 | 37.4 Ų | 37.4 | 27% | 0.272 | 19% | 0.194 | S | C | . | . | trans | -117.3 | 27.1 | 178.3 | -60.2 | -177.4 | -177.6 | -163.8 | -3.8 | 111.4 | L133 T134 D158 N181 L182 E943 | L133-R156 CarbonylContact O-C 3.57Å; L133-R156 VanDerWaalsContact O-CA 3.28Å; L133-R156 WeakPolarHBondContact O-CA 3.12Å; L133-R156 PolarHBondContact O-N 3.15Å; T134-R156 WeakPolarHBondContact CA-O 3.28Å; T134-R156 HydrophobicContact CG2-CB 4.3Å; R156-D158 PolarHBondContact O-N 3.25Å; R156-D158 VanDerWaalsContact O-N 3.15Å; R156-N181 PolarHBondContact N-OD1 2.86Å; R156-L182 HydrophobicContact CB-CD1 4.31Å; R156-E943 IonicContact CZ-OE1 3.71Å; R156-E943 IonicContact NH2-OE1 2.68Å; R156-E943 PolarHBondContact NH2-OE1 3.27Å | ||
| 157 | I | 90.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -67.1 | 114.3 | -175 | -59.2 | 171.3 | 0 | 0 | 0 | 108.4 | L133 T134 V136 L152 N155 L178 N181 L182 I183 | L133-I157 HydrophobicContact CB-CG1 4.49Å; L133-I157 WeakPolarHBondContact O-CG1 3.08Å; L133-I157 PolarHBondContact O-N 2.93Å; L133-I157 VanDerWaalsContact O-N 3.12Å; T134-I157 WeakPolarHBondContact O-CA 3.45Å; V136-I157 HydrophobicContact CG2-CD1 4.14Å; V136-I157 HydrophobicContact CG2-CG2 4.04Å; L152-I157 HydrophobicContact CB-CD1 4.05Å; L152-I157 HydrophobicContact CD1-CD1 4.38Å; L152-I157 HydrophobicContact CD2-CD1 4.47Å; N155-I157 HydrophobicContact CB-CD1 4.31Å; N155-I157 HydrophobicContact CB-CG1 4.11Å; I157-L178 HydrophobicContact CD1-CD2 3.75Å; I157-N181 HydrophobicContact CB-CB 4.13Å; I157-N181 VanDerWaalsContact CB-OD1 3.3Å; I157-N181 WeakPolarHBondContact CB-OD1 3.43Å; I157-N181 WeakPolarHBondContact CG1-OD1 3.23Å; I157-N181 PolarHBondContact N-OD1 3.2Å; I157-N181 WeakPolarHBondContact O-CB 3.38Å; I157-L182 CarbonylContact O-C 3.43Å; I157-L182 VanDerWaalsContact O-C 3.27Å; I157-L182 WeakPolarHBondContact O-CA 3.2Å; I157-L182 PolarHBondContact O-N 3.26Å; I157-I183 HydrophobicContact CG2-CD1 4.3Å; I157-I183 HydrophobicContact CG2-CG1 4.07Å; I157-I183 WeakPolarHBondContact O-CG1 3.24Å; I157-I183 PolarHBondContact O-N 2.92Å; I157-I183 VanDerWaalsContact O-N 3.15Å | ||
| 158 | D | 87 | Confident | 92.4 | Very high | 74 Ų | 74 | 41.8 Ų | 41.8 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | trans | -107.5 | -22.1 | -178.7 | 57 | -1.2 | 0 | 0 | 0 | 112.8 | T134 R156 L182 | T134-D158 PolarHBondContact O-N 3.48Å; T134-D158 VanDerWaalsContact O-OD1 3.1Å; R156-D158 PolarHBondContact O-N 3.25Å; R156-D158 VanDerWaalsContact O-N 3.15Å; D158-L182 HydrophobicContact CB-CB 3.95Å | ||
| 159 | V | 88.3 | Confident | 92 | Very high | 71 Ų | 71 | 46.4 Ų | 46.4 | 43% | 0.43 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -119.8 | 126.5 | -176.4 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | E161 | V159-E161 HydrophobicContact CG1-CB 4.17Å |
| 160 | V | 93 | Very high | 91.8 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -112.8 | 96.3 | 164.5 | 169.2 | 0 | 0 | 0 | 0 | 107.3 | M164 I183 I186 S187 A190 F191 | V160-M164 HydrophobicContact CB-CE 3.87Å; V160-M164 HydrophobicContact CG1-CE 3.22Å; V160-M164 HydrophobicContact CG2-CE 4.3Å; V160-I183 HydrophobicContact CB-CG2 4.21Å; V160-I183 HydrophobicContact CG2-CB 4.48Å; V160-I183 HydrophobicContact CG2-CD1 3.72Å; V160-I183 HydrophobicContact CG2-CG1 3.98Å; V160-I183 HydrophobicContact CG2-CG2 3.65Å; V160-I186 HydrophobicContact CB-CD1 4Å; V160-I186 HydrophobicContact CG1-CD1 3.81Å; V160-I186 HydrophobicContact CG1-CG2 4.13Å; V160-I186 HydrophobicContact CG2-CD1 3.95Å; V160-S187 WeakPolarHBondContact O-CB 3.47Å; V160-S187 PolarHBondContact O-OG 3.4Å; V160-A190 HydrophobicContact CG1-CB 3.71Å; V160-F191 HydrophobicContact CG1-CE2 3.85Å; V160-F191 HydrophobicContact CG1-CZ 3.7Å; V160-F191 HydrophobicContact CG2-CZ 4.44Å |
| 161 | E | 86.1 | Confident | 91.4 | Very high | 67 Ų | 67 | 49.7 Ų | 49.7 | 31% | 0.313 | 25% | 0.251 | S | S | . | . | trans | -81 | 155.8 | -172 | 67.9 | -170.3 | 149.8 | 0 | 0 | 113.6 | R135 V159 G163 M164 | R135-E161 IonicContact CZ-OE1 3.4Å; R135-E161 IonicContact CZ-OE2 3.61Å; R135-E161 IonicContact NH2-OE1 3.59Å; R135-E161 PolarHBondContact NH2-OE1 3.02Å; R135-E161 IonicContact NH2-OE2 2.63Å; R135-E161 PolarHBondContact NH2-OE2 2.88Å; V159-E161 HydrophobicContact CG1-CB 4.17Å; E161-G163 PolarHBondContact O-N 2.85Å; E161-M164 HydrophobicContact CG-CB 3.48Å; E161-M164 VanDerWaalsContact CG-CB 3.48Å; E161-M164 PolarHBondContact O-N 2.96Å | ||
| 162 | A | 91.9 | Very high | 91.3 | Very high | 65 Ų | 65 | 52 Ų | 52 | 54% | 0.537 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 133.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M164 T188 | A162-M164 PolarHBondContact O-N 2.99Å; A162-T188 WeakPolarHBondContact CA-O 3.4Å; A162-T188 VanDerWaalsContact CB-O 3.25Å; A162-T188 WeakPolarHBondContact CB-O 3.34Å |
| 163 | G | 88.8 | Confident | 91.2 | Very high | 18 Ų | 18 | 52 Ų | 52 | 19% | 0.186 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 25.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | E161 F165 K166 T188 D189 | E161-G163 PolarHBondContact O-N 2.85Å; G163-F165 PolarHBondContact O-N 3.02Å; G163-K166 WeakPolarHBondContact O-CB 3.46Å; G163-K166 PolarHBondContact O-N 3.41Å; G163-T188 PolarHBondContact N-O 3.23Å; G163-D189 WeakPolarHBondContact CA-O 3.29Å; G163-D189 PolarHBondContact N-O 3Å |
| 164 | M | 91.2 | Very high | 91.2 | Very high | 21 Ų | 21 | 55 Ų | 55 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.4 | -173.5 | 85.1 | 176.1 | 86.7 | 0 | 0 | 113.8 | V136 S138 V160 E161 A162 A190 F191 | V136-M164 HydrophobicContact CB-SD 3.93Å; V136-M164 HydrophobicContact CG1-SD 4.12Å; V136-M164 HydrophobicContact CG2-SD 4.21Å; S138-M164 WeakPolarHBondContact CB-O 3.31Å; S138-M164 PolarHBondContact OG-O 3.09Å; V160-M164 HydrophobicContact CB-CE 3.87Å; V160-M164 HydrophobicContact CG1-CE 3.22Å; V160-M164 HydrophobicContact CG2-CE 4.3Å; E161-M164 HydrophobicContact CG-CB 3.48Å; E161-M164 VanDerWaalsContact CG-CB 3.48Å; E161-M164 PolarHBondContact O-N 2.96Å; A162-M164 PolarHBondContact O-N 2.99Å; M164-A190 HydrophobicContact CE-CB 4.07Å; M164-F191 HydrophobicContact CE-CE1 4.07Å; M164-F191 HydrophobicContact CE-CZ 4.28Å |
| 165 | F | 94.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.009 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 15 | 177.7 | -69.2 | -71.8 | 0 | 0 | 0 | 113.3 | V136 I141 G163 H167 A168 L170 A190 F191 L194 | V136-F165 HydrophobicContact CG1-CE2 4.3Å; V136-F165 HydrophobicContact CG1-CZ 3.71Å; I141-F165 HydrophobicContact CD1-CE1 4.18Å; G163-F165 PolarHBondContact O-N 3.02Å; F165-H167 PolarHBondContact O-N 3.3Å; F165-A168 HydrophobicContact CB-CB 4.12Å; F165-A168 HydrophobicContact CD1-CB 3.84Å; F165-A168 HydrophobicContact CG-CB 4.5Å; F165-A168 WeakPolarHBondContact O-CB 3.43Å; F165-A168 PolarHBondContact O-N 3.16Å; F165-L170 HydrophobicContact CD1-CD1 3.77Å; F165-L170 HydrophobicContact CE1-CD1 3.68Å; F165-A190 WeakPolarHBondContact CD2-O 3.16Å; F165-F191 HydrophobicContact CD2-CD1 4.07Å; F165-F191 AromaticContact CE2-CD1 3.93Å; F165-F191 HydrophobicContact CE2-CD1 3.93Å; F165-F191 HydrophobicContact CE2-CE1 4.01Å; F165-L194 HydrophobicContact CB-CD2 3.98Å; F165-L194 HydrophobicContact CB-CG 4.13Å; F165-L194 HydrophobicContact CD1-CD1 4.46Å; F165-L194 HydrophobicContact CD1-CD2 4.06Å; F165-L194 HydrophobicContact CD2-CD1 3.64Å; F165-L194 HydrophobicContact CD2-CD2 4.46Å; F165-L194 HydrophobicContact CD2-CG 4.18Å; F165-L194 HydrophobicContact CE2-CD1 3.88Å; F165-L194 HydrophobicContact CG-CD1 3.96Å; F165-L194 HydrophobicContact CG-CD2 3.92Å; F165-L194 HydrophobicContact CG-CG 4.08Å; F165-L194 HydrophobicContact CZ-CD1 4.37Å |
| 166 | K | 89.2 | Confident | 91.9 | Very high | 133 Ų | 133 | 54.1 Ų | 54.1 | 58% | 0.578 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -33.6 | -172.5 | -173.1 | 172.3 | -175.4 | 170.7 | 0 | 114 | G163 N193 | G163-K166 WeakPolarHBondContact O-CB 3.46Å; G163-K166 PolarHBondContact O-N 3.41Å; K166-N193 VanDerWaalsContact CA-ND2 3.33Å; K166-N193 WeakPolarHBondContact CA-ND2 3.29Å; K166-N193 PolarHBondContact O-ND2 2.82Å; K166-N193 VanDerWaalsContact O-ND2 3.08Å |
| 167 | H | 88 | Confident | 92.3 | Very high | 154 Ų | 154 | 50.8 Ų | 50.8 | 71% | 0.713 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 5 | -178.5 | -58.1 | -60 | 0 | 0 | 0 | 113.8 | F165 | F165-H167 PolarHBondContact O-N 3.3Š|
| 168 | A | 90.7 | Very high | 92.6 | Very high | 16 Ų | 16 | 50.8 Ų | 50.8 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | trans | -77.8 | 138.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E142 F165 L170 | E142-A168 HydrophobicContact CB-CB 4.23Å; F165-A168 HydrophobicContact CB-CB 4.12Å; F165-A168 HydrophobicContact CD1-CB 3.84Å; F165-A168 HydrophobicContact CG-CB 4.5Å; F165-A168 WeakPolarHBondContact O-CB 3.43Å; F165-A168 PolarHBondContact O-N 3.16Å; A168-L170 VanDerWaalsContact C-N 3.31Å; A168-L170 HydrophobicContact CB-CD1 4.01Å; A168-L170 HydrophobicContact CB-CG 4.07Å; A168-L170 PolarHBondContact O-N 3.37Å | ||
| 169 | R | 90 | Very high | 93.1 | Very high | 152 Ų | 152 | 47.8 Ų | 47.8 | 57% | 0.574 | 24% | 0.238 | S | C | * | . | trans | -97.6 | 35.6 | 176.5 | -60.2 | -175.6 | 179 | -167.7 | -1.6 | 112 | E142 E145 N171 | E142-R169 PolarHBondContact O-N 2.95Å; E145-R169 HydrophobicContact CG-CB 4.12Å; E145-R169 IonicContact OE1-NH1 3.7Å; R169-N171 PolarHBondContact O-N 2.6Å | ||
| 170 | L | 94.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | trans | -82.3 | 48.5 | -176.8 | -65.1 | 172.5 | 0 | 0 | 0 | 111.6 | I141 L144 L147 F165 A168 N172 L173 L194 | I141-L170 HydrophobicContact CD1-CD1 4.06Å; I141-L170 HydrophobicContact CG1-CD1 4.13Å; I141-L170 WeakPolarHBondContact O-CD2 3.27Å; L144-L170 HydrophobicContact CB-CD2 4.13Å; L144-L170 WeakPolarHBondContact O-CD2 3.24Å; L147-L170 HydrophobicContact CB-CD2 4.27Å; L147-L170 HydrophobicContact CD2-CD2 4.17Å; F165-L170 HydrophobicContact CD1-CD1 3.77Å; F165-L170 HydrophobicContact CE1-CD1 3.68Å; A168-L170 VanDerWaalsContact C-N 3.31Å; A168-L170 HydrophobicContact CB-CD1 4.01Å; A168-L170 HydrophobicContact CB-CG 4.07Å; A168-L170 PolarHBondContact O-N 3.37Å; L170-N172 PolarHBondContact O-N 3.34Å; L170-N172 VanDerWaalsContact O-N 3.1Å; L170-L173 HydrophobicContact CB-CB 4.02Å; L170-L173 HydrophobicContact CD1-CD2 4.17Å; L170-L173 WeakPolarHBondContact O-CB 3.21Å; L170-L173 PolarHBondContact O-N 2.87Å; L170-L194 HydrophobicContact CB-CD2 3.83Å; L170-L194 HydrophobicContact CD1-CD2 4.06Å | ||
| 171 | N | 90.2 | Very high | 93.2 | Very high | 96 Ų | 96 | 48 Ų | 48 | 51% | 0.513 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.5 | -171.3 | -66.6 | -37.6 | 0 | 0 | 0 | 113.6 | R169 N195 | R169-N171 PolarHBondContact O-N 2.6Å; N171-N195 PolarHBondContact O-ND2 2.79Å |
| 172 | N | 95.1 | Very high | 93.6 | Very high | 50 Ų | 50 | 46.6 Ų | 46.6 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -3.4 | -178.8 | -70.2 | -48.1 | 0 | 0 | 0 | 113.7 | E145 L147 Q148 L170 R174 | E145-N172 PolarHBondContact O-ND2 2.97Å; L147-N172 CarbonylContact O-C 3.22Å; Q148-N172 WeakPolarHBondContact CA-O 3.4Å; Q148-N172 HydrophobicContact CG-CB 4.26Å; L170-N172 PolarHBondContact O-N 3.34Å; L170-N172 VanDerWaalsContact O-N 3.1Å; N172-R174 WeakPolarHBondContact O-CG 3.43Å; N172-R174 PolarHBondContact O-N 2.94Å; N172-R174 VanDerWaalsContact O-N 3.15Å |
| 173 | L | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -67.8 | 116.8 | -177.4 | -173.5 | 69 | 0 | 0 | 0 | 109.8 | L147 L150 L170 L194 N195 L196 | L147-L173 HydrophobicContact CD2-CD1 4.1Å; L147-L173 HydrophobicContact CG-CD1 4.04Å; L147-L173 WeakPolarHBondContact O-CA 3.2Å; L147-L173 PolarHBondContact O-N 2.9Å; L150-L173 HydrophobicContact CB-CD1 3.86Å; L170-L173 HydrophobicContact CB-CB 4.02Å; L170-L173 HydrophobicContact CD1-CD2 4.17Å; L170-L173 WeakPolarHBondContact O-CB 3.21Å; L170-L173 PolarHBondContact O-N 2.87Å; L173-L194 HydrophobicContact CD2-CD1 4.17Å; L173-L194 HydrophobicContact CD2-CD2 4.37Å; L173-N195 CarbonylContact O-C 3.56Å; L173-N195 VanDerWaalsContact O-C 3.27Å; L173-N195 VanDerWaalsContact O-O 3.11Å; L173-L196 HydrophobicContact CB-CD2 4.46Å; L173-L196 HydrophobicContact CD2-CD2 3.96Å; L173-L196 HydrophobicContact CG-CD2 3.78Å | ||
| 174 | R | 96.8 | Very high | 93.8 | Very high | 88 Ų | 88 | 48.3 Ų | 48.3 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | trans | -112.6 | -31.1 | -176.3 | -61.5 | -46.3 | -176.3 | 161.3 | -0.6 | 113.1 | Q148 N172 N195 S197 V198 | Q148-R174 PolarHBondContact O-N 2.91Å; N172-R174 WeakPolarHBondContact O-CG 3.43Å; N172-R174 PolarHBondContact O-N 2.94Å; N172-R174 VanDerWaalsContact O-N 3.15Å; R174-N195 VanDerWaalsContact CD-O 3.26Å; R174-N195 WeakPolarHBondContact CD-O 3.39Å; R174-N195 PolarHBondContact NH1-O 2.85Å; R174-N195 VanDerWaalsContact NH1-O 3.11Å; R174-S197 WeakPolarHBondContact O-CA 3.5Å; R174-S197 WeakPolarHBondContact O-CB 3.38Å; R174-S197 PolarHBondContact O-N 2.03Å; R174-V198 PolarHBondContact O-N 3.29Å | ||
| 175 | Y | 98.2 | Very high | 94 | Very high | 53 Ų | 53 | 49.2 Ų | 49.2 | 21% | 0.208 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 121 | -173.5 | -57.4 | -95.6 | 0 | 0 | 0 | 109.9 | Q148 Y149 L150 V198 | Q148-Y175 PolarHBondContact O-N 2.78Å; Y149-Y175 HydrophobicContact CD1-CD1 4.49Å; Y149-Y175 AromaticContact CD1-CD2 3.57Å; Y149-Y175 HydrophobicContact CD1-CD2 3.57Å; Y149-Y175 HydrophobicContact CD1-CE2 4.4Å; Y149-Y175 AromaticContact CD1-CG 3.66Å; Y149-Y175 HydrophobicContact CD1-CG 3.66Å; Y149-Y175 HydrophobicContact CD2-CD2 4.3Å; Y149-Y175 HydrophobicContact CE1-CD1 4.03Å; Y149-Y175 AromaticContact CE1-CD2 3.17Å; Y149-Y175 HydrophobicContact CE1-CD2 3.17Å; Y149-Y175 HydrophobicContact CE1-CE1 4.34Å; Y149-Y175 AromaticContact CE1-CE2 3.57Å; Y149-Y175 HydrophobicContact CE1-CE2 3.57Å; Y149-Y175 AromaticContact CE1-CG 3.46Å; Y149-Y175 HydrophobicContact CE1-CG 3.46Å; Y149-Y175 VanDerWaalsContact CE1-CG 3.46Å; Y149-Y175 AromaticContact CE2-CD2 3.91Å; Y149-Y175 HydrophobicContact CE2-CD2 3.91Å; Y149-Y175 HydrophobicContact CE2-CE2 4.1Å; Y149-Y175 HydrophobicContact CG-CD2 4.12Å; Y149-Y175 HydrophobicContact CG-CG 4.48Å; Y149-Y175 AromaticContact CZ-CD2 3.36Å; Y149-Y175 AromaticContact CZ-CE2 3.39Å; Y149-Y175 VanDerWaalsContact OH-CE2 3.26Å; Y149-Y175 WeakPolarHBondContact OH-CE2 3.49Å; L150-Y175 PolarHBondContact N-O 3.44Å; Y175-V198 HydrophobicContact CD1-CB 3.68Å; Y175-V198 HydrophobicContact CD1-CG1 4.47Å; Y175-V198 HydrophobicContact CD1-CG2 3.66Å; Y175-V198 HydrophobicContact CE1-CB 4.13Å; Y175-V198 HydrophobicContact CE1-CG2 3.54Å |
| 176 | L | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 120.3 | 175.8 | 177.3 | 55.7 | 0 | 0 | 0 | 109.7 | L150 L152 L178 F191 L196 V198 L199 T200 | L150-L176 HydrophobicContact CB-CD1 4.03Å; L150-L176 HydrophobicContact CD2-CD1 3.82Å; L150-L176 HydrophobicContact CG-CD1 3.91Å; L152-L176 HydrophobicContact CD1-CD1 4.23Å; L176-L178 HydrophobicContact CD1-CD1 4.4Å; L176-L178 HydrophobicContact CD1-CG 4.22Å; L176-L178 HydrophobicContact CD2-CD1 4Å; L176-L178 HydrophobicContact CG-CD1 4.05Å; L176-L178 HydrophobicContact CG-CG 4.23Å; L176-F191 HydrophobicContact CD2-CD1 4.06Å; L176-F191 HydrophobicContact CD2-CE1 3.7Å; L176-F191 HydrophobicContact CD2-CZ 4.47Å; L176-L196 HydrophobicContact CB-CD1 4.07Å; L176-L196 HydrophobicContact CB-CD2 3.91Å; L176-L196 HydrophobicContact CD2-CD1 4.06Å; L176-V198 PolarHBondContact N-O 2.78Å; L176-V198 VanDerWaalsContact N-O 3.07Å; L176-L199 HydrophobicContact CB-CD1 4.01Å; L176-L199 HydrophobicContact CD2-CD1 3.92Å; L176-L199 HydrophobicContact CG-CD1 3.86Å; L176-L199 WeakPolarHBondContact O-CA 3.47Å; L176-T200 PolarHBondContact O-N 3.08Å; L176-T200 VanDerWaalsContact O-N 3.08Å |
| 177 | Y | 98 | Very high | 94.3 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 118 | 179.8 | -52.7 | -81.7 | 0 | 0 | 0 | 111.1 | Y149 L150 H151 L152 T200 | Y149-Y177 HydrophobicContact CD1-CE2 4.39Å; L150-Y177 PolarHBondContact O-N 2.95Å; H151-Y177 HydrophobicContact CB-CD2 4.45Å; H151-Y177 AromaticContact CE1-CD2 3.71Å; H151-Y177 AromaticContact CE1-CE2 3.54Å; H151-Y177 AromaticContact CG-CD2 3.77Å; H151-Y177 AromaticContact ND1-CD2 3.57Å; H151-Y177 AromaticContact ND1-CE2 3.89Å; H151-Y177 AromaticContact NE2-CE2 3.76Å; L152-Y177 CarbonylContact C-O 3.38Å; L152-Y177 WeakPolarHBondContact CA-O 3.26Å; L152-Y177 WeakPolarHBondContact CB-O 3.42Å; L152-Y177 PolarHBondContact N-O 3.38Å; Y177-T200 HydrophobicContact CD1-CG2 3.99Å; Y177-T200 WeakPolarHBondContact CD1-OG1 3.29Å; Y177-T200 HydrophobicContact CE1-CG2 4.3Å |
| 178 | L | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -124.9 | 21.7 | -177 | -76.1 | 165 | 0 | 0 | 0 | 112.2 | V136 L152 I157 L176 N181 I183 F191 L199 T200 L201 N204 | V136-L178 HydrophobicContact CG2-CD2 3.98Å; L152-L178 HydrophobicContact CB-CD2 3.76Å; L152-L178 HydrophobicContact CD1-CD2 3.88Å; L152-L178 HydrophobicContact CG-CD2 4.49Å; I157-L178 HydrophobicContact CD1-CD2 3.75Å; L176-L178 HydrophobicContact CD1-CD1 4.4Å; L176-L178 HydrophobicContact CD1-CG 4.22Å; L176-L178 HydrophobicContact CD2-CD1 4Å; L176-L178 HydrophobicContact CG-CD1 4.05Å; L176-L178 HydrophobicContact CG-CG 4.23Å; L178-N181 PolarHBondContact O-ND2 3.16Å; L178-I183 HydrophobicContact CB-CD1 4.19Å; L178-I183 HydrophobicContact CD1-CD1 4.4Å; L178-I183 HydrophobicContact CD2-CD1 4.47Å; L178-F191 HydrophobicContact CD1-CE1 4.37Å; L178-F191 HydrophobicContact CD1-CZ 4.02Å; L178-L199 HydrophobicContact CD1-CD1 4.38Å; L178-T200 WeakPolarHBondContact CA-O 3.45Å; L178-T200 PolarHBondContact N-O 3.08Å; L178-L201 HydrophobicContact CB-CD2 3.65Å; L178-L201 HydrophobicContact CB-CG 4.46Å; L178-L201 HydrophobicContact CD1-CD2 3.83Å; L178-L201 HydrophobicContact CG-CD2 4.4Å; L178-N204 PolarHBondContact O-ND2 2.78Å | ||
| 179 | D | 96.9 | Very high | 94.7 | Very high | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.059 | 22% | 0.215 | C | C | . | . | trans | -60.8 | 151.7 | -177.2 | -48.9 | -46.8 | 0 | 0 | 0 | 112.7 | K153 N154 N181 T200 L201 N202 | K153-D179 CarbonylContact C-O 3.03Å; K153-D179 WeakPolarHBondContact CA-O 3.46Å; K153-D179 HydrophobicContact CB-CB 4.39Å; K153-D179 HydrophobicContact CD-CB 4.28Å; K153-D179 WeakPolarHBondContact CD-OD2 3.34Å; K153-D179 WeakPolarHBondContact CE-OD2 3.4Å; K153-D179 HydrophobicContact CG-CB 4.04Å; K153-D179 IonicContact NZ-OD2 3.72Å; K153-D179 PolarHBondContact NZ-OD2 3.32Å; N154-D179 PolarHBondContact N-O 3.44Å; D179-N181 PolarHBondContact O-N 3.4Å; D179-N181 PolarHBondContact O-ND2 3.48Å; D179-N181 VanDerWaalsContact O-ND2 3.17Å; D179-T200 VanDerWaalsContact OD1-C 3.3Å; D179-T200 WeakPolarHBondContact OD1-CB 3.23Å; D179-T200 PolarHBondContact OD1-OG1 2.03Å; D179-T200 PolarHBondContact OD2-OG1 2.84Å; D179-L201 PolarHBondContact OD1-N 3.37Å; D179-N202 CarbonylContact C-O 3.17Å; D179-N202 VanDerWaalsContact CA-O 3.26Å; D179-N202 WeakPolarHBondContact CA-O 3.4Å; D179-N202 HydrophobicContact CB-CB 4.24Å; D179-N202 WeakPolarHBondContact OD1-CB 3.42Å; D179-N202 PolarHBondContact OD1-N 2.78Å; D179-N202 PolarHBondContact OD1-ND2 2.92Å | ||
| 180 | N | 93.4 | Very high | 94.9 | Very high | 71 Ų | 71 | 35.8 Ų | 35.8 | 38% | 0.38 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 52.8 | 51.4 | 175.8 | -53.4 | -62.2 | 0 | 0 | 0 | 112.7 | N154 N202 N203 | N154-N180 WeakPolarHBondContact CA-O 3.23Å; N154-N180 WeakPolarHBondContact OD1-CB 3.2Å; N154-N180 VanDerWaalsContact OD1-CG 3.25Å; N154-N180 PolarHBondContact OD1-ND2 3.19Å; N180-N202 PolarHBondContact N-O 3.16Å; N180-N203 WeakPolarHBondContact CA-O 3.34Å; N180-N203 WeakPolarHBondContact OD1-CB 3.43Å |
| 181 | N | 91 | Very high | 94.9 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -115.9 | -163.4 | 171.9 | -84 | -78 | 0 | 0 | 0 | 109 | L152 N155 R156 I157 L178 D179 I183 N204 | L152-N181 PolarHBondContact O-ND2 2.88Å; N155-N181 VanDerWaalsContact CA-OD1 3.26Å; N155-N181 WeakPolarHBondContact CA-OD1 3.36Å; N155-N181 WeakPolarHBondContact CB-OD1 3.48Å; N155-N181 PolarHBondContact N-OD1 2.75Å; N155-N181 PolarHBondContact O-OD1 2.83Å; R156-N181 PolarHBondContact N-OD1 2.86Å; I157-N181 HydrophobicContact CB-CB 4.13Å; I157-N181 VanDerWaalsContact CB-OD1 3.3Å; I157-N181 WeakPolarHBondContact CB-OD1 3.43Å; I157-N181 WeakPolarHBondContact CG1-OD1 3.23Å; I157-N181 PolarHBondContact N-OD1 3.2Å; I157-N181 WeakPolarHBondContact O-CB 3.38Å; L178-N181 PolarHBondContact O-ND2 3.16Å; D179-N181 PolarHBondContact O-N 3.4Å; D179-N181 PolarHBondContact O-ND2 3.48Å; D179-N181 VanDerWaalsContact O-ND2 3.17Å; N181-I183 HydrophobicContact CB-CD1 4.35Å; N181-I183 HydrophobicContact CB-CG1 4.25Å; N181-N204 VanDerWaalsContact CA-OD1 3.27Å; N181-N204 WeakPolarHBondContact CA-OD1 3.34Å; N181-N204 WeakPolarHBondContact CB-OD1 3.21Å; N181-N204 PolarHBondContact N-OD1 3.44Å; N181-N204 PolarHBondContact O-OD1 3.27Å |
| 182 | L | 93.3 | Very high | 95 | Very high | 39 Ų | 39 | 33.8 Ų | 33.8 | 20% | 0.204 | 18% | 0.179 | C | C | . | . | trans | -118 | 20.4 | -174.9 | -60.8 | 174.2 | 0 | 0 | 0 | 112.1 | R156 I157 D158 E184 N204 R1014 | R156-L182 HydrophobicContact CB-CD1 4.31Å; I157-L182 CarbonylContact O-C 3.43Å; I157-L182 VanDerWaalsContact O-C 3.27Å; I157-L182 WeakPolarHBondContact O-CA 3.2Å; I157-L182 PolarHBondContact O-N 3.26Å; D158-L182 HydrophobicContact CB-CB 3.95Å; L182-E184 PolarHBondContact O-N 3.48Å; L182-N204 PolarHBondContact N-OD1 3.21Å; L182-R1014 VanDerWaalsContact CD2-NH2 3.29Å | ||
| 183 | I | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -66.4 | 123.1 | -171.7 | -58 | 166.3 | 0 | 0 | 0 | 109.5 | I157 V160 L178 N181 A185 I186 L201 N204 Q205 I206 | I157-I183 HydrophobicContact CG2-CD1 4.3Å; I157-I183 HydrophobicContact CG2-CG1 4.07Å; I157-I183 WeakPolarHBondContact O-CG1 3.24Å; I157-I183 PolarHBondContact O-N 2.92Å; I157-I183 VanDerWaalsContact O-N 3.15Å; V160-I183 HydrophobicContact CB-CG2 4.21Å; V160-I183 HydrophobicContact CG2-CB 4.48Å; V160-I183 HydrophobicContact CG2-CD1 3.72Å; V160-I183 HydrophobicContact CG2-CG1 3.98Å; V160-I183 HydrophobicContact CG2-CG2 3.65Å; L178-I183 HydrophobicContact CB-CD1 4.19Å; L178-I183 HydrophobicContact CD1-CD1 4.4Å; L178-I183 HydrophobicContact CD2-CD1 4.47Å; N181-I183 HydrophobicContact CB-CD1 4.35Å; N181-I183 HydrophobicContact CB-CG1 4.25Å; I183-A185 WeakPolarHBondContact CG2-O 3.24Å; I183-I186 HydrophobicContact CG2-CD1 3.76Å; I183-L201 HydrophobicContact CD1-CD2 3.72Å; I183-N204 HydrophobicContact CB-CB 4.26Å; I183-N204 WeakPolarHBondContact CB-OD1 3.46Å; I183-N204 WeakPolarHBondContact CG1-OD1 3.17Å; I183-N204 PolarHBondContact N-OD1 3.28Å; I183-Q205 CarbonylContact O-C 3.05Å; I183-Q205 VanDerWaalsContact O-CA 3.26Å; I183-Q205 WeakPolarHBondContact O-CA 3.39Å; I183-Q205 PolarHBondContact O-N 3.23Å; I183-I206 HydrophobicContact CB-CG1 4.29Å; I183-I206 HydrophobicContact CG2-CD1 4.38Å; I183-I206 HydrophobicContact CG2-CG1 4.03Å; I183-I206 WeakPolarHBondContact O-CG1 3.46Å; I183-I206 PolarHBondContact O-N 3.17Å; I183-I206 VanDerWaalsContact O-N 3.08Å | ||
| 184 | E | 91.6 | Very high | 94.7 | Very high | 119 Ų | 119 | 35.5 Ų | 35.5 | 56% | 0.556 | 19% | 0.188 | S | C | * | . | trans | -95.1 | -27.6 | -178.6 | -62.4 | -169.8 | 174.1 | 0 | 0 | 113.8 | L182 Q205 I206 Q207 | L182-E184 PolarHBondContact O-N 3.48Å; E184-Q205 WeakPolarHBondContact CA-O 3.42Å; E184-Q205 HydrophobicContact CG-CB 4.17Å; E184-I206 CarbonylContact O-C 3.12Å; E184-I206 VanDerWaalsContact O-CA 3.29Å; E184-I206 WeakPolarHBondContact O-CA 3.36Å; E184-Q207 PolarHBondContact O-N 2.76Å | ||
| 185 | A | 94.4 | Very high | 94.5 | Very high | 40 Ų | 40 | 34.4 Ų | 34.4 | 33% | 0.331 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 155.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I183 N208 | I183-A185 WeakPolarHBondContact CG2-O 3.24Å; A185-N208 WeakPolarHBondContact CA-O 3.21Å |
| 186 | I | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 111.6 | 172.1 | -54.2 | -59.8 | 0 | 0 | 0 | 108.2 | V160 I183 A190 F191 L201 I206 N208 I209 D210 | V160-I186 HydrophobicContact CB-CD1 4Å; V160-I186 HydrophobicContact CG1-CD1 3.81Å; V160-I186 HydrophobicContact CG1-CG2 4.13Å; V160-I186 HydrophobicContact CG2-CD1 3.95Å; I183-I186 HydrophobicContact CG2-CD1 3.76Å; I186-A190 HydrophobicContact CG2-CB 4.25Å; I186-F191 HydrophobicContact CD1-CE2 4.24Å; I186-F191 HydrophobicContact CG2-CD2 4.14Å; I186-F191 HydrophobicContact CG2-CE2 3.84Å; I186-L201 HydrophobicContact CD1-CD1 4.08Å; I186-L201 HydrophobicContact CD1-CD2 4.17Å; I186-L201 HydrophobicContact CG1-CD1 4.39Å; I186-I206 HydrophobicContact CD1-CD1 4.1Å; I186-I206 HydrophobicContact CG1-CD1 4.2Å; I186-I206 HydrophobicContact CG1-CG2 4.49Å; I186-N208 PolarHBondContact N-O 3.44Å; I186-N208 VanDerWaalsContact N-O 3.15Å; I186-I209 HydrophobicContact CB-CB 4.38Å; I186-I209 HydrophobicContact CB-CG1 4.29Å; I186-I209 HydrophobicContact CB-CG2 3.97Å; I186-I209 HydrophobicContact CG1-CG1 4.12Å; I186-I209 HydrophobicContact CG1-CG2 4.48Å; I186-I209 HydrophobicContact CG2-CG2 4.24Å; I186-D210 PolarHBondContact O-N 2.9Å |
| 187 | S | 94.6 | Very high | 94.4 | Very high | 36 Ų | 36 | 32.9 Ų | 32.9 | 25% | 0.252 | 19% | 0.186 | S | C | . | . | trans | -76.9 | 158.2 | -175 | -51.2 | 0 | 0 | 0 | 0 | 112.8 | V160 A190 D210 S213 | V160-S187 WeakPolarHBondContact O-CB 3.47Å; V160-S187 PolarHBondContact O-OG 3.4Å; S187-A190 WeakPolarHBondContact O-CB 3.06Å; S187-A190 PolarHBondContact O-N 2.94Å; S187-D210 WeakPolarHBondContact CA-OD2 3.23Å; S187-S213 WeakPolarHBondContact O-CB 3.36Å | ||
| 188 | T | 92.8 | Very high | 94.4 | Very high | 57 Ų | 57 | 32.8 Ų | 32.8 | 35% | 0.35 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 142.1 | 174.5 | -51.4 | 0 | 0 | 0 | 0 | 112.4 | A162 G163 A190 D210 | A162-T188 WeakPolarHBondContact CA-O 3.4Å; A162-T188 VanDerWaalsContact CB-O 3.25Å; A162-T188 WeakPolarHBondContact CB-O 3.34Å; G163-T188 PolarHBondContact N-O 3.23Å; T188-A190 PolarHBondContact O-N 3.17Å; T188-D210 PolarHBondContact N-OD2 2.65Å; T188-D210 WeakPolarHBondContact OG1-CB 3.05Å; T188-D210 PolarHBondContact OG1-OD2 3.17Å |
| 189 | D | 92.9 | Very high | 94.4 | Very high | 82 Ų | 82 | 32.8 Ų | 32.8 | 44% | 0.439 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 8.2 | -179.2 | -60.1 | -30.4 | 0 | 0 | 0 | 115.9 | G163 F191 N212 | G163-D189 WeakPolarHBondContact CA-O 3.29Å; G163-D189 PolarHBondContact N-O 3Å; D189-F191 PolarHBondContact O-N 3.3Å; D189-N212 WeakPolarHBondContact CA-O 3.32Å; D189-N212 PolarHBondContact N-O 2.99Å |
| 190 | A | 94 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -54.9 | -47.3 | -173 | 0 | 0 | 0 | 0 | 0 | 113.1 | V160 M164 F165 I186 S187 T188 | V160-A190 HydrophobicContact CG1-CB 3.71Å; M164-A190 HydrophobicContact CE-CB 4.07Å; F165-A190 WeakPolarHBondContact CD2-O 3.16Å; I186-A190 HydrophobicContact CG2-CB 4.25Å; S187-A190 WeakPolarHBondContact O-CB 3.06Å; S187-A190 PolarHBondContact O-N 2.94Å; T188-A190 PolarHBondContact O-N 3.17Å |
| 191 | F | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -119.7 | -0.3 | -174.6 | -56.5 | -65.2 | 0 | 0 | 0 | 114.2 | V160 M164 F165 L176 L178 I186 D189 N193 L194 L199 S213 L214 P215 | V160-F191 HydrophobicContact CG1-CE2 3.85Å; V160-F191 HydrophobicContact CG1-CZ 3.7Å; V160-F191 HydrophobicContact CG2-CZ 4.44Å; M164-F191 HydrophobicContact CE-CE1 4.07Å; M164-F191 HydrophobicContact CE-CZ 4.28Å; F165-F191 HydrophobicContact CD2-CD1 4.07Å; F165-F191 AromaticContact CE2-CD1 3.93Å; F165-F191 HydrophobicContact CE2-CD1 3.93Å; F165-F191 HydrophobicContact CE2-CE1 4.01Å; L176-F191 HydrophobicContact CD2-CD1 4.06Å; L176-F191 HydrophobicContact CD2-CE1 3.7Å; L176-F191 HydrophobicContact CD2-CZ 4.47Å; L178-F191 HydrophobicContact CD1-CE1 4.37Å; L178-F191 HydrophobicContact CD1-CZ 4.02Å; I186-F191 HydrophobicContact CD1-CE2 4.24Å; I186-F191 HydrophobicContact CG2-CD2 4.14Å; I186-F191 HydrophobicContact CG2-CE2 3.84Å; D189-F191 PolarHBondContact O-N 3.3Å; F191-N193 PolarHBondContact O-N 3.49Å; F191-N193 VanDerWaalsContact O-N 3.12Å; F191-L194 HydrophobicContact CB-CD1 4.47Å; F191-L194 HydrophobicContact CD1-CD1 4.1Å; F191-L194 WeakPolarHBondContact O-CB 3.37Å; F191-L194 PolarHBondContact O-N 2.87Å; F191-L199 HydrophobicContact CD2-CD2 4.17Å; F191-L199 HydrophobicContact CE2-CD2 4.2Å; F191-S213 PolarHBondContact N-O 3.3Å; F191-L214 HydrophobicContact CD2-CD2 4.24Å; F191-P215 HydrophobicContact CB-CG 4.28Å; F191-P215 WeakPolarHBondContact O-CB 3.36Å; F191-P215 WeakPolarHBondContact O-CG 3.26Å |
| 192 | V | 91.8 | Very high | 94.8 | Very high | 56 Ų | 56 | 29.8 Ų | 29.8 | 34% | 0.339 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -32.7 | -171.9 | 176.7 | 0 | 0 | 0 | 0 | 113.4 | L194 N212 | V192-L194 PolarHBondContact O-N 2.92Å; V192-N212 WeakPolarHBondContact CG2-O 3.39Å |
| 193 | N | 90.6 | Very high | 94.7 | Very high | 82 Ų | 82 | 31 Ų | 31 | 44% | 0.439 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 4.2 | -179 | -71.3 | 14.8 | 0 | 0 | 0 | 114 | K166 F191 | K166-N193 VanDerWaalsContact CA-ND2 3.33Å; K166-N193 WeakPolarHBondContact CA-ND2 3.29Å; K166-N193 PolarHBondContact O-ND2 2.82Å; K166-N193 VanDerWaalsContact O-ND2 3.08Å; F191-N193 PolarHBondContact O-N 3.49Å; F191-N193 VanDerWaalsContact O-N 3.12Å |
| 194 | L | 95 | Very high | 94.6 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -102.7 | 154.7 | 177.3 | -57.4 | 178.1 | 0 | 0 | 0 | 111.3 | F165 L170 L173 F191 V192 L196 P215 | F165-L194 HydrophobicContact CB-CD2 3.98Å; F165-L194 HydrophobicContact CB-CG 4.13Å; F165-L194 HydrophobicContact CD1-CD1 4.46Å; F165-L194 HydrophobicContact CD1-CD2 4.06Å; F165-L194 HydrophobicContact CD2-CD1 3.64Å; F165-L194 HydrophobicContact CD2-CD2 4.46Å; F165-L194 HydrophobicContact CD2-CG 4.18Å; F165-L194 HydrophobicContact CE2-CD1 3.88Å; F165-L194 HydrophobicContact CG-CD1 3.96Å; F165-L194 HydrophobicContact CG-CD2 3.92Å; F165-L194 HydrophobicContact CG-CG 4.08Å; F165-L194 HydrophobicContact CZ-CD1 4.37Å; L170-L194 HydrophobicContact CB-CD2 3.83Å; L170-L194 HydrophobicContact CD1-CD2 4.06Å; L173-L194 HydrophobicContact CD2-CD1 4.17Å; L173-L194 HydrophobicContact CD2-CD2 4.37Å; F191-L194 HydrophobicContact CB-CD1 4.47Å; F191-L194 HydrophobicContact CD1-CD1 4.1Å; F191-L194 WeakPolarHBondContact O-CB 3.37Å; F191-L194 PolarHBondContact O-N 2.87Å; V192-L194 PolarHBondContact O-N 2.92Å; L194-L196 HydrophobicContact CB-CD1 4.42Å; L194-L196 HydrophobicContact CB-CD2 4.41Å; L194-L196 HydrophobicContact CB-CG 3.85Å; L194-L196 HydrophobicContact CD1-CD1 4.01Å; L194-L196 HydrophobicContact CD1-CD2 4.34Å; L194-L196 HydrophobicContact CD1-CG 4.14Å; L194-P215 WeakPolarHBondContact O-CB 3.13Å |
| 195 | N | 94.1 | Very high | 94.6 | Very high | 65 Ų | 65 | 28.3 Ų | 28.3 | 35% | 0.348 | 16% | 0.164 | S | C | . | . | trans | -101.9 | 46.8 | 175.8 | -73.8 | -29.6 | 0 | 0 | 0 | 112.2 | N171 L173 R174 T217 | N171-N195 PolarHBondContact O-ND2 2.79Å; L173-N195 CarbonylContact O-C 3.56Å; L173-N195 VanDerWaalsContact O-C 3.27Å; L173-N195 VanDerWaalsContact O-O 3.11Å; R174-N195 VanDerWaalsContact CD-O 3.26Å; R174-N195 WeakPolarHBondContact CD-O 3.39Å; R174-N195 PolarHBondContact NH1-O 2.85Å; R174-N195 VanDerWaalsContact NH1-O 3.11Å; N195-T217 WeakPolarHBondContact CA-OG1 3.4Å | ||
| 196 | L | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -65.8 | 136.3 | -175.7 | -62.7 | 178.9 | 0 | 0 | 0 | 111.7 | L173 L176 L194 P215 T217 L218 | L173-L196 HydrophobicContact CB-CD2 4.46Å; L173-L196 HydrophobicContact CD2-CD2 3.96Å; L173-L196 HydrophobicContact CG-CD2 3.78Å; L176-L196 HydrophobicContact CB-CD1 4.07Å; L176-L196 HydrophobicContact CB-CD2 3.91Å; L176-L196 HydrophobicContact CD2-CD1 4.06Å; L194-L196 HydrophobicContact CB-CD1 4.42Å; L194-L196 HydrophobicContact CB-CD2 4.41Å; L194-L196 HydrophobicContact CB-CG 3.85Å; L194-L196 HydrophobicContact CD1-CD1 4.01Å; L194-L196 HydrophobicContact CD1-CD2 4.34Å; L194-L196 HydrophobicContact CD1-CG 4.14Å; L196-P215 HydrophobicContact CB-CG 4.04Å; L196-P215 HydrophobicContact CD1-CG 4.29Å; L196-P215 HydrophobicContact CG-CG 4.31Å; L196-T217 PolarHBondContact N-OG1 3.04Å; L196-T217 CarbonylContact O-C 3.48Å; L196-T217 WeakPolarHBondContact O-CB 3.28Å; L196-T217 VanDerWaalsContact O-O 3.14Å; L196-T217 PolarHBondContact O-OG1 2.71Å; L196-L218 HydrophobicContact CB-CD2 3.63Å; L196-L218 HydrophobicContact CB-CG 4.18Å; L196-L218 WeakPolarHBondContact O-CA 3.06Å; L196-L218 PolarHBondContact O-N 3.15Å; L196-L218 VanDerWaalsContact O-N 3.16Å | ||
| 197 | S | 96.5 | Very high | 94.5 | Very high | 22 Ų | 22 | 31.8 Ų | 31.8 | 15% | 0.154 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -94.5 | -41 | 169.7 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | R174 W219 C220 | R174-S197 WeakPolarHBondContact O-CA 3.5Å; R174-S197 WeakPolarHBondContact O-CB 3.38Å; R174-S197 PolarHBondContact O-N 2.03Å; S197-W219 PolarHBondContact O-N 2.83Å; S197-W219 VanDerWaalsContact O-N 3.09Å; S197-W219 PolarHBondContact O-NE1 3.49Å; S197-C220 PolarHBondContact O-N 3.2Å; S197-C220 VanDerWaalsContact O-N 3.13Å |
| 198 | V | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.4 | -177.6 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | R174 Y175 L176 T200 W219 C220 | R174-V198 PolarHBondContact O-N 3.29Å; Y175-V198 HydrophobicContact CD1-CB 3.68Å; Y175-V198 HydrophobicContact CD1-CG1 4.47Å; Y175-V198 HydrophobicContact CD1-CG2 3.66Å; Y175-V198 HydrophobicContact CE1-CB 4.13Å; Y175-V198 HydrophobicContact CE1-CG2 3.54Å; L176-V198 PolarHBondContact N-O 2.78Å; L176-V198 VanDerWaalsContact N-O 3.07Å; V198-T200 HydrophobicContact CG1-CG2 4.09Å; V198-W219 HydrophobicContact CG2-CZ2 4.19Å; V198-C220 WeakPolarHBondContact CA-O 3.29Å; V198-C220 HydrophobicContact CB-CB 4.47Å; V198-C220 HydrophobicContact CG1-CB 4.28Å; V198-C220 HydrophobicContact CG2-CB 4.09Å |
| 199 | L | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 121 | 171.8 | 175.3 | 60.1 | 0 | 0 | 0 | 109.7 | L176 L178 F191 L201 L214 L218 C220 I221 S222 | L176-L199 HydrophobicContact CB-CD1 4.01Å; L176-L199 HydrophobicContact CD2-CD1 3.92Å; L176-L199 HydrophobicContact CG-CD1 3.86Å; L176-L199 WeakPolarHBondContact O-CA 3.47Å; L178-L199 HydrophobicContact CD1-CD1 4.38Å; F191-L199 HydrophobicContact CD2-CD2 4.17Å; F191-L199 HydrophobicContact CE2-CD2 4.2Å; L199-L201 HydrophobicContact CD1-CD1 4.34Å; L199-L201 HydrophobicContact CD1-CG 4.22Å; L199-L201 HydrophobicContact CD2-CD1 3.89Å; L199-L201 HydrophobicContact CG-CD1 3.97Å; L199-L201 HydrophobicContact CG-CG 4.22Å; L199-L214 HydrophobicContact CD2-CD2 3.96Å; L199-L218 HydrophobicContact CB-CD1 4.29Å; L199-L218 HydrophobicContact CB-CD2 3.69Å; L199-L218 HydrophobicContact CD2-CD1 4.24Å; L199-C220 PolarHBondContact N-O 2.95Å; L199-I221 HydrophobicContact CD2-CD1 4.39Å; L199-I221 WeakPolarHBondContact O-CA 3.49Å; L199-S222 PolarHBondContact O-N 2.85Å |
| 200 | T | 97.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.3 | 174 | 75.1 | 0 | 0 | 0 | 0 | 110.6 | L11 L176 Y177 L178 D179 V198 | L11-T200 HydrophobicContact CD2-CG2 4.1Å; L176-T200 PolarHBondContact O-N 3.08Å; L176-T200 VanDerWaalsContact O-N 3.08Å; Y177-T200 HydrophobicContact CD1-CG2 3.99Å; Y177-T200 WeakPolarHBondContact CD1-OG1 3.29Å; Y177-T200 HydrophobicContact CE1-CG2 4.3Å; L178-T200 WeakPolarHBondContact CA-O 3.45Å; L178-T200 PolarHBondContact N-O 3.08Å; D179-T200 VanDerWaalsContact OD1-C 3.3Å; D179-T200 WeakPolarHBondContact OD1-CB 3.23Å; D179-T200 PolarHBondContact OD1-OG1 2.03Å; D179-T200 PolarHBondContact OD2-OG1 2.84Å; V198-T200 HydrophobicContact CG1-CG2 4.09Å |
| 201 | L | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -132.1 | 30.7 | -175.6 | -77 | 160.6 | 0 | 0 | 0 | 109.8 | L178 D179 I183 I186 L199 N204 I206 S222 L223 N226 | L178-L201 HydrophobicContact CB-CD2 3.65Å; L178-L201 HydrophobicContact CB-CG 4.46Å; L178-L201 HydrophobicContact CD1-CD2 3.83Å; L178-L201 HydrophobicContact CG-CD2 4.4Å; D179-L201 PolarHBondContact OD1-N 3.37Å; I183-L201 HydrophobicContact CD1-CD2 3.72Å; I186-L201 HydrophobicContact CD1-CD1 4.08Å; I186-L201 HydrophobicContact CD1-CD2 4.17Å; I186-L201 HydrophobicContact CG1-CD1 4.39Å; L199-L201 HydrophobicContact CD1-CD1 4.34Å; L199-L201 HydrophobicContact CD1-CG 4.22Å; L199-L201 HydrophobicContact CD2-CD1 3.89Å; L199-L201 HydrophobicContact CG-CD1 3.97Å; L199-L201 HydrophobicContact CG-CG 4.22Å; L201-N204 PolarHBondContact O-ND2 3.46Å; L201-N204 VanDerWaalsContact O-ND2 3.1Å; L201-I206 HydrophobicContact CB-CD1 3.86Å; L201-I206 HydrophobicContact CD1-CD1 4.14Å; L201-I206 HydrophobicContact CD2-CD1 4.13Å; L201-I206 HydrophobicContact CG-CD1 4.28Å; L201-S222 PolarHBondContact N-O 2.92Å; L201-L223 HydrophobicContact CB-CD2 3.93Å; L201-L223 HydrophobicContact CD1-CD2 3.92Å; L201-N226 PolarHBondContact O-ND2 3.25Å | ||
| 202 | N | 95.1 | Very high | 94.3 | Very high | 23 Ų | 23 | 36.9 Ų | 36.9 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 151.7 | -171.8 | -60.3 | -27.6 | 0 | 0 | 0 | 111.2 | D179 N180 N204 S222 K224 | D179-N202 CarbonylContact C-O 3.17Å; D179-N202 VanDerWaalsContact CA-O 3.26Å; D179-N202 WeakPolarHBondContact CA-O 3.4Å; D179-N202 HydrophobicContact CB-CB 4.24Å; D179-N202 WeakPolarHBondContact OD1-CB 3.42Å; D179-N202 PolarHBondContact OD1-N 2.78Å; D179-N202 PolarHBondContact OD1-ND2 2.92Å; N180-N202 PolarHBondContact N-O 3.16Å; N202-N204 VanDerWaalsContact C-N 3.27Å; N202-N204 PolarHBondContact O-N 3.3Å; N202-N204 PolarHBondContact O-ND2 3.27Å; N202-N204 VanDerWaalsContact O-ND2 3.12Å; N202-S222 VanDerWaalsContact CG-OG 3.29Å; N202-S222 PolarHBondContact ND2-OG 3.05Å; N202-S222 VanDerWaalsContact OD1-C 3.29Å; N202-S222 VanDerWaalsContact OD1-CB 3.31Å; N202-S222 WeakPolarHBondContact OD1-CB 3.49Å; N202-S222 PolarHBondContact OD1-O 3.26Å; N202-S222 PolarHBondContact OD1-OG 2.94Å; N202-K224 CarbonylContact C-O 3.48Å; N202-K224 WeakPolarHBondContact CA-O 3.48Å; N202-K224 HydrophobicContact CB-CB 4.35Å; N202-K224 WeakPolarHBondContact OD1-CB 3.41Å; N202-K224 PolarHBondContact OD1-N 2.85Å; N202-K224 VanDerWaalsContact OD1-N 3.14Å |
| 203 | N | 91.2 | Very high | 94.5 | Very high | 65 Ų | 65 | 34.2 Ų | 34.2 | 35% | 0.348 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 41.9 | 173 | -65.1 | 86.6 | 0 | 0 | 0 | 113.1 | N180 K224 E225 | N180-N203 WeakPolarHBondContact CA-O 3.34Å; N180-N203 WeakPolarHBondContact OD1-CB 3.43Å; N203-K224 PolarHBondContact N-O 3.29Å; N203-E225 VanDerWaalsContact CA-O 3.28Å; N203-E225 WeakPolarHBondContact CA-O 3.44Å; N203-E225 HydrophobicContact CB-CB 4.5Å; N203-E225 WeakPolarHBondContact ND2-CB 3.38Å |
| 204 | N | 91.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -104.9 | -163 | 171.8 | -84.9 | -85.1 | 0 | 0 | 0 | 109.6 | L178 N181 L182 I183 L201 N202 I206 N226 | L178-N204 PolarHBondContact O-ND2 2.78Å; N181-N204 VanDerWaalsContact CA-OD1 3.27Å; N181-N204 WeakPolarHBondContact CA-OD1 3.34Å; N181-N204 WeakPolarHBondContact CB-OD1 3.21Å; N181-N204 PolarHBondContact N-OD1 3.44Å; N181-N204 PolarHBondContact O-OD1 3.27Å; L182-N204 PolarHBondContact N-OD1 3.21Å; I183-N204 HydrophobicContact CB-CB 4.26Å; I183-N204 WeakPolarHBondContact CB-OD1 3.46Å; I183-N204 WeakPolarHBondContact CG1-OD1 3.17Å; I183-N204 PolarHBondContact N-OD1 3.28Å; L201-N204 PolarHBondContact O-ND2 3.46Å; L201-N204 VanDerWaalsContact O-ND2 3.1Å; N202-N204 VanDerWaalsContact C-N 3.27Å; N202-N204 PolarHBondContact O-N 3.3Å; N202-N204 PolarHBondContact O-ND2 3.27Å; N202-N204 VanDerWaalsContact O-ND2 3.12Å; N204-I206 HydrophobicContact CB-CD1 4.15Å; N204-I206 HydrophobicContact CB-CG1 3.99Å; N204-N226 VanDerWaalsContact CA-OD1 3.3Å; N204-N226 WeakPolarHBondContact CA-OD1 3.31Å; N204-N226 WeakPolarHBondContact CB-OD1 3.35Å; N204-N226 PolarHBondContact N-OD1 3.2Å; N204-N226 PolarHBondContact O-OD1 3.1Å |
| 205 | Q | 93.1 | Very high | 94.7 | Very high | 61 Ų | 61 | 30.4 Ų | 30.4 | 29% | 0.285 | 17% | 0.166 | S | C | . | . | trans | -117.8 | 24.7 | -179.1 | -57 | -60.2 | -51.8 | 0 | 0 | 111.4 | I183 E184 Q207 N226 | I183-Q205 CarbonylContact O-C 3.05Å; I183-Q205 VanDerWaalsContact O-CA 3.26Å; I183-Q205 WeakPolarHBondContact O-CA 3.39Å; I183-Q205 PolarHBondContact O-N 3.23Å; E184-Q205 WeakPolarHBondContact CA-O 3.42Å; E184-Q205 HydrophobicContact CG-CB 4.17Å; Q205-Q207 PolarHBondContact O-N 3.07Å; Q205-N226 PolarHBondContact N-OD1 3.39Å | ||
| 206 | I | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -67.3 | 117.9 | -168.3 | -59.6 | 169.1 | 0 | 0 | 0 | 109.9 | I183 E184 I186 L201 N204 I209 L223 N226 K227 L228 | I183-I206 HydrophobicContact CB-CG1 4.29Å; I183-I206 HydrophobicContact CG2-CD1 4.38Å; I183-I206 HydrophobicContact CG2-CG1 4.03Å; I183-I206 WeakPolarHBondContact O-CG1 3.46Å; I183-I206 PolarHBondContact O-N 3.17Å; I183-I206 VanDerWaalsContact O-N 3.08Å; E184-I206 CarbonylContact O-C 3.12Å; E184-I206 VanDerWaalsContact O-CA 3.29Å; E184-I206 WeakPolarHBondContact O-CA 3.36Å; I186-I206 HydrophobicContact CD1-CD1 4.1Å; I186-I206 HydrophobicContact CG1-CD1 4.2Å; I186-I206 HydrophobicContact CG1-CG2 4.49Å; L201-I206 HydrophobicContact CB-CD1 3.86Å; L201-I206 HydrophobicContact CD1-CD1 4.14Å; L201-I206 HydrophobicContact CD2-CD1 4.13Å; L201-I206 HydrophobicContact CG-CD1 4.28Å; N204-I206 HydrophobicContact CB-CD1 4.15Å; N204-I206 HydrophobicContact CB-CG1 3.99Å; I206-I209 HydrophobicContact CG2-CD1 4.26Å; I206-I209 HydrophobicContact CG2-CG1 3.75Å; I206-L223 HydrophobicContact CD1-CD2 3.85Å; I206-N226 HydrophobicContact CB-CB 4.19Å; I206-N226 VanDerWaalsContact CB-OD1 3.28Å; I206-N226 WeakPolarHBondContact CB-OD1 3.21Å; I206-N226 VanDerWaalsContact CG1-OD1 3.31Å; I206-N226 WeakPolarHBondContact CG1-OD1 3.18Å; I206-N226 PolarHBondContact N-OD1 3.01Å; I206-K227 CarbonylContact O-C 2.91Å; I206-K227 VanDerWaalsContact O-CA 3.3Å; I206-K227 WeakPolarHBondContact O-CA 3.35Å; I206-K227 PolarHBondContact O-N 3.16Å; I206-L228 HydrophobicContact CG2-CD2 4.14Å; I206-L228 PolarHBondContact O-N 3.22Å | ||
| 207 | Q | 93 | Very high | 94.5 | Very high | 113 Ų | 113 | 32 Ų | 32 | 53% | 0.528 | 18% | 0.182 | S | C | . | . | trans | -102.3 | -32.8 | 175.4 | -71.9 | 165.4 | 66 | 0 | 0 | 112 | E184 Q205 K227 | E184-Q207 PolarHBondContact O-N 2.76Å; Q205-Q207 PolarHBondContact O-N 3.07Å; Q207-K227 HydrophobicContact CG-CB 3.64Å; Q207-K227 HydrophobicContact CG-CD 4.3Å | ||
| 208 | N | 92.7 | Very high | 94.5 | Very high | 92 Ų | 92 | 30.9 Ų | 30.9 | 49% | 0.492 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 149.4 | -178.4 | -168 | 22.3 | 0 | 0 | 0 | 111.8 | A185 I186 | A185-N208 WeakPolarHBondContact CA-O 3.21Å; I186-N208 PolarHBondContact N-O 3.44Å; I186-N208 VanDerWaalsContact N-O 3.15Å |
| 209 | I | 96 | Very high | 94.4 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 114.7 | 174.7 | -56.2 | -179.5 | 0 | 0 | 0 | 105.9 | I186 I206 S213 L214 L223 L228 P232 A235 | I186-I209 HydrophobicContact CB-CB 4.38Å; I186-I209 HydrophobicContact CB-CG1 4.29Å; I186-I209 HydrophobicContact CB-CG2 3.97Å; I186-I209 HydrophobicContact CG1-CG1 4.12Å; I186-I209 HydrophobicContact CG1-CG2 4.48Å; I186-I209 HydrophobicContact CG2-CG2 4.24Å; I206-I209 HydrophobicContact CG2-CD1 4.26Å; I206-I209 HydrophobicContact CG2-CG1 3.75Å; I209-S213 WeakPolarHBondContact CG2-OG 3.32Å; I209-L214 HydrophobicContact CG2-CD1 4.4Å; I209-L214 HydrophobicContact CG2-CG 4.43Å; I209-L223 HydrophobicContact CD1-CD1 3.51Å; I209-L223 HydrophobicContact CD1-CD2 3.71Å; I209-L223 HydrophobicContact CD1-CG 4.27Å; I209-L228 HydrophobicContact CD1-CD2 4.47Å; I209-L228 HydrophobicContact CG1-CD2 4.36Å; I209-P232 HydrophobicContact CB-CB 4.35Å; I209-P232 HydrophobicContact CD1-CG 4.19Å; I209-A235 HydrophobicContact CB-CB 4.02Å; I209-A235 HydrophobicContact CG2-CB 3.39Å |
| 210 | D | 94.4 | Very high | 94.3 | Very high | 52 Ų | 52 | 33.6 Ų | 33.6 | 28% | 0.278 | 19% | 0.185 | S | C | . | . | trans | -65 | 150.4 | -178.5 | -69.8 | -10.3 | 0 | 0 | 0 | 111.3 | I186 S187 T188 S213 A235 | I186-D210 PolarHBondContact O-N 2.9Å; S187-D210 WeakPolarHBondContact CA-OD2 3.23Å; T188-D210 PolarHBondContact N-OD2 2.65Å; T188-D210 WeakPolarHBondContact OG1-CB 3.05Å; T188-D210 PolarHBondContact OG1-OD2 3.17Å; D210-S213 WeakPolarHBondContact O-CB 3.19Å; D210-S213 PolarHBondContact O-N 3.48Å; D210-S213 PolarHBondContact O-OG 3.06Å; D210-A235 WeakPolarHBondContact O-CB 2.95Å | ||
| 211 | G | 90.8 | Very high | 94.3 | Very high | 28 Ų | 28 | 33.5 Ų | 33.5 | 29% | 0.289 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 149.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S213 | G211-S213 PolarHBondContact O-N 3.04Š|
| 212 | N | 90.9 | Very high | 94.3 | Very high | 104 Ų | 104 | 33.6 Ų | 33.6 | 56% | 0.556 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 36 | -175.6 | -58.5 | -41.7 | 0 | 0 | 0 | 113.9 | D189 V192 | D189-N212 WeakPolarHBondContact CA-O 3.32Å; D189-N212 PolarHBondContact N-O 2.99Å; V192-N212 WeakPolarHBondContact CG2-O 3.39Å |
| 213 | S | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -99.2 | -23.8 | 175.1 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | S187 F191 I209 D210 G211 | S187-S213 WeakPolarHBondContact O-CB 3.36Å; F191-S213 PolarHBondContact N-O 3.3Å; I209-S213 WeakPolarHBondContact CG2-OG 3.32Å; D210-S213 WeakPolarHBondContact O-CB 3.19Å; D210-S213 PolarHBondContact O-N 3.48Å; D210-S213 PolarHBondContact O-OG 3.06Å; G211-S213 PolarHBondContact O-N 3.04Å | ||
| 214 | L | 96.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -105.1 | 141.1 | -173 | -59 | 177.4 | 0 | 0 | 0 | 111.8 | F191 L199 I209 L218 I221 A235 L236 L239 | F191-L214 HydrophobicContact CD2-CD2 4.24Å; L199-L214 HydrophobicContact CD2-CD2 3.96Å; I209-L214 HydrophobicContact CG2-CD1 4.4Å; I209-L214 HydrophobicContact CG2-CG 4.43Å; L214-L218 HydrophobicContact CB-CD1 4.17Å; L214-L218 HydrophobicContact CD2-CD1 4.41Å; L214-I221 HydrophobicContact CD1-CD1 3.56Å; L214-I221 HydrophobicContact CD2-CD1 4.02Å; L214-I221 HydrophobicContact CG-CD1 4.45Å; L214-A235 HydrophobicContact CD1-CB 4.29Å; L214-L236 HydrophobicContact CD1-CD2 4.32Å; L214-L239 HydrophobicContact CB-CD2 3.97Å; L214-L239 HydrophobicContact CD1-CD1 4.08Å |
| 215 | P | 93.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.019 | 18% | 0.184 | C | C | . | . | trans | -76.9 | 137.4 | 179.3 | 27.8 | -32.2 | 0 | 0 | 0 | 112 | F191 L194 L196 T217 L218 L239 | F191-P215 HydrophobicContact CB-CG 4.28Å; F191-P215 WeakPolarHBondContact O-CB 3.36Å; F191-P215 WeakPolarHBondContact O-CG 3.26Å; L194-P215 WeakPolarHBondContact O-CB 3.13Å; L196-P215 HydrophobicContact CB-CG 4.04Å; L196-P215 HydrophobicContact CD1-CG 4.29Å; L196-P215 HydrophobicContact CG-CG 4.31Å; P215-T217 PolarHBondContact O-N 3.48Å; P215-L218 HydrophobicContact CG-CD1 3.94Å; P215-L218 HydrophobicContact CG-CG 3.97Å; P215-L218 PolarHBondContact O-N 3.16Å; P215-L218 VanDerWaalsContact O-N 3.11Å; P215-L239 WeakPolarHBondContact O-CD2 3.35Å | ||
| 216 | A | 93.3 | Very high | 94.2 | Very high | 48 Ų | 48 | 31.5 Ų | 31.5 | 40% | 0.397 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L218 S238 | A216-L218 VanDerWaalsContact C-N 3.26Å; A216-L218 PolarHBondContact O-N 2.85Å; A216-S238 VanDerWaalsContact CB-O 3.28Å; A216-S238 WeakPolarHBondContact CB-O 3.27Å |
| 217 | T | 94.9 | Very high | 94.1 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 30% | 0.301 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -9.8 | 179.5 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | N195 L196 P215 W219 | N195-T217 WeakPolarHBondContact CA-OG1 3.4Å; L196-T217 PolarHBondContact N-OG1 3.04Å; L196-T217 CarbonylContact O-C 3.48Å; L196-T217 WeakPolarHBondContact O-CB 3.28Å; L196-T217 VanDerWaalsContact O-O 3.14Å; L196-T217 PolarHBondContact O-OG1 2.71Å; P215-T217 PolarHBondContact O-N 3.48Å; T217-W219 PolarHBondContact O-N 2.69Å |
| 218 | L | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -65.3 | 120.3 | -178.6 | -80.6 | 169.3 | 0 | 0 | 0 | 110.5 | L196 L199 L214 P215 A216 L239 L242 | L196-L218 HydrophobicContact CB-CD2 3.63Å; L196-L218 HydrophobicContact CB-CG 4.18Å; L196-L218 WeakPolarHBondContact O-CA 3.06Å; L196-L218 PolarHBondContact O-N 3.15Å; L196-L218 VanDerWaalsContact O-N 3.16Å; L199-L218 HydrophobicContact CB-CD1 4.29Å; L199-L218 HydrophobicContact CB-CD2 3.69Å; L199-L218 HydrophobicContact CD2-CD1 4.24Å; L214-L218 HydrophobicContact CB-CD1 4.17Å; L214-L218 HydrophobicContact CD2-CD1 4.41Å; P215-L218 HydrophobicContact CG-CD1 3.94Å; P215-L218 HydrophobicContact CG-CG 3.97Å; P215-L218 PolarHBondContact O-N 3.16Å; P215-L218 VanDerWaalsContact O-N 3.11Å; A216-L218 VanDerWaalsContact C-N 3.26Å; A216-L218 PolarHBondContact O-N 2.85Å; L218-L239 HydrophobicContact CB-CD1 4.47Å; L218-L239 HydrophobicContact CB-CD2 4.26Å; L218-L242 PolarHBondContact O-N 3.1Å | ||
| 219 | W | 95 | Very high | 94.3 | Very high | 56 Ų | 56 | 32.4 Ų | 32.4 | 21% | 0.212 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -101.1 | -20.3 | 169.7 | 78.3 | -92.8 | 0 | 0 | 0 | 111.9 | A10 S197 V198 T217 E241 K243 I244 | A10-W219 HydrophobicContact CB-CH2 4.18Å; A10-W219 HydrophobicContact CB-CZ2 4.2Å; S197-W219 PolarHBondContact O-N 2.83Å; S197-W219 VanDerWaalsContact O-N 3.09Å; S197-W219 PolarHBondContact O-NE1 3.49Å; V198-W219 HydrophobicContact CG2-CZ2 4.19Å; T217-W219 PolarHBondContact O-N 2.69Å; W219-E241 VanDerWaalsContact CA-O 3.26Å; W219-E241 WeakPolarHBondContact CA-O 3.29Å; W219-E241 HydrophobicContact CB-CB 4.41Å; W219-E241 WeakPolarHBondContact CB-O 3.26Å; W219-K243 HydrophobicContact CB-CG 4.32Å; W219-K243 HydrophobicContact CE3-CB 3.9Å; W219-K243 HydrophobicContact CE3-CD 3.95Å; W219-K243 HydrophobicContact CE3-CG 4.15Å; W219-K243 HydrophobicContact CZ3-CB 4.47Å; W219-K243 PolarHBondContact O-N 3.41Å; W219-I244 HydrophobicContact CE3-CD1 4.29Å; W219-I244 HydrophobicContact CE3-CG1 4.42Å; W219-I244 HydrophobicContact CH2-CD1 3.89Å; W219-I244 HydrophobicContact CZ3-CD1 3.39Å; W219-I244 HydrophobicContact CZ3-CG1 3.9Å; W219-I244 PolarHBondContact O-N 3.07Å |
| 220 | C | 97.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 122.5 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | S197 V198 L199 I244 | S197-C220 PolarHBondContact O-N 3.2Å; S197-C220 VanDerWaalsContact O-N 3.13Å; V198-C220 WeakPolarHBondContact CA-O 3.29Å; V198-C220 HydrophobicContact CB-CB 4.47Å; V198-C220 HydrophobicContact CG1-CB 4.28Å; V198-C220 HydrophobicContact CG2-CB 4.09Å; L199-C220 PolarHBondContact N-O 2.95Å; C220-I244 HydrophobicContact CB-CB 4.17Å; C220-I244 HydrophobicContact CB-CD1 4.41Å |
| 221 | I | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.4 | 168.2 | -171.7 | 168.5 | 0 | 0 | 0 | 110 | L199 L214 L223 L236 L242 I244 L245 D246 | L199-I221 HydrophobicContact CD2-CD1 4.39Å; L199-I221 WeakPolarHBondContact O-CA 3.49Å; L214-I221 HydrophobicContact CD1-CD1 3.56Å; L214-I221 HydrophobicContact CD2-CD1 4.02Å; L214-I221 HydrophobicContact CG-CD1 4.45Å; I221-L223 HydrophobicContact CD1-CD1 3.98Å; I221-L223 HydrophobicContact CD1-CG 4.32Å; I221-L223 HydrophobicContact CG1-CD1 4.21Å; I221-L223 HydrophobicContact CG1-CG 4.18Å; I221-L236 HydrophobicContact CG2-CD2 4.37Å; I221-L242 HydrophobicContact CG2-CD1 3.95Å; I221-I244 PolarHBondContact N-O 3Å; I221-L245 HydrophobicContact CG2-CD1 3.71Å; I221-D246 PolarHBondContact O-N 3.02Å |
| 222 | S | 97.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 118 | 177.8 | -170 | 0 | 0 | 0 | 0 | 110.2 | L199 L201 N202 | L199-S222 PolarHBondContact O-N 2.85Å; L201-S222 PolarHBondContact N-O 2.92Å; N202-S222 VanDerWaalsContact CG-OG 3.29Å; N202-S222 PolarHBondContact ND2-OG 3.05Å; N202-S222 VanDerWaalsContact OD1-C 3.29Å; N202-S222 VanDerWaalsContact OD1-CB 3.31Å; N202-S222 WeakPolarHBondContact OD1-CB 3.49Å; N202-S222 PolarHBondContact OD1-O 3.26Å; N202-S222 PolarHBondContact OD1-OG 2.94Å |
| 223 | L | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -122.5 | 26.2 | -178 | -73.2 | 160.2 | 0 | 0 | 0 | 110.6 | L201 I206 I209 I221 N226 L228 D246 L247 N250 | L201-L223 HydrophobicContact CB-CD2 3.93Å; L201-L223 HydrophobicContact CD1-CD2 3.92Å; I206-L223 HydrophobicContact CD1-CD2 3.85Å; I209-L223 HydrophobicContact CD1-CD1 3.51Å; I209-L223 HydrophobicContact CD1-CD2 3.71Å; I209-L223 HydrophobicContact CD1-CG 4.27Å; I221-L223 HydrophobicContact CD1-CD1 3.98Å; I221-L223 HydrophobicContact CD1-CG 4.32Å; I221-L223 HydrophobicContact CG1-CD1 4.21Å; I221-L223 HydrophobicContact CG1-CG 4.18Å; L223-N226 PolarHBondContact O-ND2 2.89Å; L223-L228 HydrophobicContact CB-CD1 4.13Å; L223-L228 HydrophobicContact CD1-CD1 4.08Å; L223-D246 CarbonylContact C-O 3.49Å; L223-D246 WeakPolarHBondContact CA-O 3.18Å; L223-D246 PolarHBondContact N-O 2.82Å; L223-L247 HydrophobicContact CB-CD2 3.99Å; L223-L247 HydrophobicContact CD1-CD2 4.01Å; L223-N250 PolarHBondContact O-ND2 2.64Å | ||
| 224 | K | 90.7 | Very high | 94.5 | Very high | 56 Ų | 56 | 33 Ų | 33 | 24% | 0.243 | 17% | 0.173 | C | C | . | . | trans | -57.6 | 143.9 | -178.8 | 167.4 | 172.2 | -177 | 153.5 | 0 | 111.6 | N202 N203 N226 E248 | N202-K224 CarbonylContact C-O 3.48Å; N202-K224 WeakPolarHBondContact CA-O 3.48Å; N202-K224 HydrophobicContact CB-CB 4.35Å; N202-K224 WeakPolarHBondContact OD1-CB 3.41Å; N202-K224 PolarHBondContact OD1-N 2.85Å; N202-K224 VanDerWaalsContact OD1-N 3.14Å; N203-K224 PolarHBondContact N-O 3.29Å; K224-N226 PolarHBondContact O-N 3.25Å; K224-N226 PolarHBondContact O-ND2 3.03Å; K224-E248 CarbonylContact C-O 3.05Å; K224-E248 VanDerWaalsContact CA-O 3.24Å; K224-E248 WeakPolarHBondContact CA-O 3.26Å; K224-E248 HydrophobicContact CB-CB 4.39Å; K224-E248 HydrophobicContact CD-CB 4.26Å; K224-E248 HydrophobicContact CD-CG 4.36Å; K224-E248 VanDerWaalsContact CE-CD 3.43Å; K224-E248 WeakPolarHBondContact CE-OE1 3.43Å; K224-E248 WeakPolarHBondContact CE-OE2 3.44Å; K224-E248 HydrophobicContact CG-CB 4.08Å; K224-E248 HydrophobicContact CG-CG 4.39Å; K224-E248 IonicContact NZ-OE1 3.27Å; K224-E248 PolarHBondContact NZ-OE1 3.17Å; K224-E248 IonicContact NZ-OE2 3.21Å; K224-E248 PolarHBondContact NZ-OE2 2.88Å | ||
| 225 | E | 89.5 | Confident | 94.4 | Very high | 44 Ų | 44 | 32.9 Ų | 32.9 | 21% | 0.206 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 54.4 | 51.3 | 175.5 | -61.9 | -73.3 | -173.5 | 0 | 0 | 112.8 | N203 E248 G249 Y1065 | N203-E225 VanDerWaalsContact CA-O 3.28Å; N203-E225 WeakPolarHBondContact CA-O 3.44Å; N203-E225 HydrophobicContact CB-CB 4.5Å; N203-E225 WeakPolarHBondContact ND2-CB 3.38Å; E225-E248 PolarHBondContact N-O 3.12Å; E225-G249 WeakPolarHBondContact CA-O 3.45Å; E225-Y1065 VanDerWaalsContact OE2-CE1 3.24Å; E225-Y1065 WeakPolarHBondContact OE2-CE1 3.29Å; E225-Y1065 VanDerWaalsContact OE2-CZ 3.26Å; E225-Y1065 PolarHBondContact OE2-OH 3.25Å |
| 226 | N | 90.4 | Very high | 94.4 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -114.7 | -161.8 | 173 | -84.4 | -78.9 | 0 | 0 | 0 | 110.3 | L201 N204 Q205 I206 L223 K224 N250 | L201-N226 PolarHBondContact O-ND2 3.25Å; N204-N226 VanDerWaalsContact CA-OD1 3.3Å; N204-N226 WeakPolarHBondContact CA-OD1 3.31Å; N204-N226 WeakPolarHBondContact CB-OD1 3.35Å; N204-N226 PolarHBondContact N-OD1 3.2Å; N204-N226 PolarHBondContact O-OD1 3.1Å; Q205-N226 PolarHBondContact N-OD1 3.39Å; I206-N226 HydrophobicContact CB-CB 4.19Å; I206-N226 VanDerWaalsContact CB-OD1 3.28Å; I206-N226 WeakPolarHBondContact CB-OD1 3.21Å; I206-N226 VanDerWaalsContact CG1-OD1 3.31Å; I206-N226 WeakPolarHBondContact CG1-OD1 3.18Å; I206-N226 PolarHBondContact N-OD1 3.01Å; L223-N226 PolarHBondContact O-ND2 2.89Å; K224-N226 PolarHBondContact O-N 3.25Å; K224-N226 PolarHBondContact O-ND2 3.03Å; N226-N250 WeakPolarHBondContact CA-OD1 3.24Å; N226-N250 WeakPolarHBondContact CB-OD1 3.37Å; N226-N250 PolarHBondContact N-OD1 3.09Å; N226-N250 PolarHBondContact O-OD1 3.37Å |
| 227 | K | 94 | Very high | 94.3 | Very high | 77 Ų | 77 | 36.3 Ų | 36.3 | 34% | 0.335 | 18% | 0.18 | S | C | . | . | trans | -118.5 | 24.6 | -176.3 | -68.6 | -179.7 | 165.9 | 169.9 | 0 | 112.6 | I206 Q207 E229 N250 | I206-K227 CarbonylContact O-C 2.91Å; I206-K227 VanDerWaalsContact O-CA 3.3Å; I206-K227 WeakPolarHBondContact O-CA 3.35Å; I206-K227 PolarHBondContact O-N 3.16Å; Q207-K227 HydrophobicContact CG-CB 3.64Å; Q207-K227 HydrophobicContact CG-CD 4.3Å; K227-E229 PolarHBondContact O-N 3.46Å; K227-N250 PolarHBondContact N-OD1 2.92Å | ||
| 228 | L | 95.5 | Very high | 94 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | trans | -65.8 | 132.2 | 178.7 | -63.6 | 169.1 | 0 | 0 | 0 | 110.1 | I206 I209 L223 L247 N250 S251 I252 | I206-L228 HydrophobicContact CG2-CD2 4.14Å; I206-L228 PolarHBondContact O-N 3.22Å; I209-L228 HydrophobicContact CD1-CD2 4.47Å; I209-L228 HydrophobicContact CG1-CD2 4.36Å; L223-L228 HydrophobicContact CB-CD1 4.13Å; L223-L228 HydrophobicContact CD1-CD1 4.08Å; L228-L247 HydrophobicContact CD1-CD2 3.64Å; L228-N250 HydrophobicContact CB-CB 4.22Å; L228-N250 WeakPolarHBondContact CB-OD1 3.26Å; L228-N250 PolarHBondContact N-OD1 3.23Å; L228-S251 CarbonylContact O-C 3.57Å; L228-S251 VanDerWaalsContact O-C 3.26Å; L228-S251 WeakPolarHBondContact O-CA 3.27Å; L228-S251 PolarHBondContact O-N 3.09Å; L228-I252 PolarHBondContact O-N 3.34Å | ||
| 229 | E | 94 | Very high | 93.9 | Very high | 143 Ų | 143 | 36.1 Ų | 36.1 | 67% | 0.668 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -95.8 | -14.6 | 177.5 | -62.6 | -173.5 | 171.7 | 0 | 0 | 112.6 | K227 I252 | K227-E229 PolarHBondContact O-N 3.46Å; E229-I252 WeakPolarHBondContact O-CA 3.36Å |
| 230 | S | 94.6 | Very high | 93.6 | Very high | 52 Ų | 52 | 37.3 Ų | 37.3 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -148.6 | 167 | 177.5 | 64.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 231 | I | 95.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | trans | -70.2 | 124.3 | 170.6 | -59.3 | 174.1 | 0 | 0 | 0 | 107.8 | Y233 L236 L245 L247 I252 L255 L271 | I231-Y233 VanDerWaalsContact C-N 3.26Å; I231-Y233 HydrophobicContact CB-CD2 4.16Å; I231-Y233 HydrophobicContact CB-CE2 3.76Å; I231-Y233 HydrophobicContact CD1-CE2 4.5Å; I231-Y233 HydrophobicContact CG2-CD1 4.13Å; I231-Y233 HydrophobicContact CG2-CD2 4.22Å; I231-Y233 HydrophobicContact CG2-CE1 3.89Å; I231-Y233 HydrophobicContact CG2-CE2 3.98Å; I231-Y233 HydrophobicContact CG2-CG 4.29Å; I231-Y233 WeakPolarHBondContact O-CD2 3.5Å; I231-Y233 PolarHBondContact O-N 3.13Å; I231-L236 HydrophobicContact CG2-CD1 4.03Å; I231-L245 HydrophobicContact CG2-CD2 4.48Å; I231-L247 HydrophobicContact CB-CD1 4.44Å; I231-L247 HydrophobicContact CG1-CD1 3.96Å; I231-L247 HydrophobicContact CG2-CD1 4.21Å; I231-I252 HydrophobicContact CG1-CD1 4.33Å; I231-L255 HydrophobicContact CD1-CD2 3.85Å; I231-L255 HydrophobicContact CG1-CD2 4.34Å; I231-L271 HydrophobicContact CD1-CD1 4.06Å; I231-L271 HydrophobicContact CD1-CD2 4.18Å; I231-L271 HydrophobicContact CG1-CD2 4.13Å | ||
| 232 | P | 94.9 | Very high | 93.2 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 10% | 0.097 | 22% | 0.221 | C | C | . | . | trans | -80.4 | 66.7 | -173.5 | 33.3 | -36.4 | 0 | 0 | 0 | 111.9 | I209 D234 A235 L236 | I209-P232 HydrophobicContact CB-CB 4.35Å; I209-P232 HydrophobicContact CD1-CG 4.19Å; P232-D234 VanDerWaalsContact C-N 3.31Å; P232-D234 PolarHBondContact O-N 2.98Å; P232-A235 HydrophobicContact CB-CB 4.34Å; P232-A235 PolarHBondContact O-N 2.86Å; P232-A235 VanDerWaalsContact O-N 3.1Å; P232-L236 HydrophobicContact CG-CD1 4.32Å; P232-L236 HydrophobicContact CG-CG 4.41Å; P232-L236 WeakPolarHBondContact O-CG 3.2Å; P232-L236 PolarHBondContact O-N 3.01Å | ||
| 233 | Y | 94.5 | Very high | 93.2 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.6 | -41.9 | -174 | -72.1 | -71.5 | 0 | 0 | 0 | 113.8 | I231 A235 L236 E237 V259 A283 F287 | I231-Y233 VanDerWaalsContact C-N 3.26Å; I231-Y233 HydrophobicContact CB-CD2 4.16Å; I231-Y233 HydrophobicContact CB-CE2 3.76Å; I231-Y233 HydrophobicContact CD1-CE2 4.5Å; I231-Y233 HydrophobicContact CG2-CD1 4.13Å; I231-Y233 HydrophobicContact CG2-CD2 4.22Å; I231-Y233 HydrophobicContact CG2-CE1 3.89Å; I231-Y233 HydrophobicContact CG2-CE2 3.98Å; I231-Y233 HydrophobicContact CG2-CG 4.29Å; I231-Y233 WeakPolarHBondContact O-CD2 3.5Å; I231-Y233 PolarHBondContact O-N 3.13Å; Y233-A235 VanDerWaalsContact C-N 3.26Å; Y233-A235 PolarHBondContact O-N 2.77Å; Y233-L236 PolarHBondContact O-N 3.03Å; Y233-E237 PolarHBondContact O-N 3.15Å; Y233-V259 HydrophobicContact CD1-CG1 4.02Å; Y233-V259 HydrophobicContact CD2-CG1 3.94Å; Y233-V259 HydrophobicContact CD2-CG2 4.03Å; Y233-V259 HydrophobicContact CE1-CG1 4.44Å; Y233-V259 HydrophobicContact CE2-CB 4.47Å; Y233-V259 HydrophobicContact CE2-CG1 4.36Å; Y233-V259 HydrophobicContact CE2-CG2 3.78Å; Y233-V259 HydrophobicContact CG-CG1 3.75Å; Y233-A283 PolarHBondContact OH-O 2.79Å; Y233-F287 AromaticContact CE1-CE2 3.78Å; Y233-F287 HydrophobicContact CE1-CE2 3.78Å; Y233-F287 AromaticContact CE1-CZ 3.98Å; Y233-F287 HydrophobicContact CE1-CZ 3.98Å |
| 234 | D | 91.7 | Very high | 93.1 | Very high | 120 Ų | 120 | 48 Ų | 48 | 64% | 0.642 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.3 | -32.8 | 179.8 | -61.1 | -12.6 | 0 | 0 | 0 | 112.8 | P232 | P232-D234 VanDerWaalsContact C-N 3.31Å; P232-D234 PolarHBondContact O-N 2.98Å |
| 235 | A | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -80.2 | -26.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | I209 D210 L214 P232 Y233 | I209-A235 HydrophobicContact CB-CB 4.02Å; I209-A235 HydrophobicContact CG2-CB 3.39Å; D210-A235 WeakPolarHBondContact O-CB 2.95Å; L214-A235 HydrophobicContact CD1-CB 4.29Å; P232-A235 HydrophobicContact CB-CB 4.34Å; P232-A235 PolarHBondContact O-N 2.86Å; P232-A235 VanDerWaalsContact O-N 3.1Å; Y233-A235 VanDerWaalsContact C-N 3.26Å; Y233-A235 PolarHBondContact O-N 2.77Å |
| 236 | L | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -86.7 | -21.3 | -178.5 | -62 | 172.8 | 0 | 0 | 0 | 112.4 | L214 I221 I231 P232 Y233 S238 L239 L242 L245 F263 | L214-L236 HydrophobicContact CD1-CD2 4.32Å; I221-L236 HydrophobicContact CG2-CD2 4.37Å; I231-L236 HydrophobicContact CG2-CD1 4.03Å; P232-L236 HydrophobicContact CG-CD1 4.32Å; P232-L236 HydrophobicContact CG-CG 4.41Å; P232-L236 WeakPolarHBondContact O-CG 3.2Å; P232-L236 PolarHBondContact O-N 3.01Å; Y233-L236 PolarHBondContact O-N 3.03Å; L236-S238 PolarHBondContact O-N 3.3Å; L236-L239 HydrophobicContact CD2-CD1 3.66Å; L236-L239 WeakPolarHBondContact O-CB 3.46Å; L236-L239 WeakPolarHBondContact O-CG 3.19Å; L236-L239 PolarHBondContact O-N 3.29Å; L236-L242 HydrophobicContact CD2-CD2 4.48Å; L236-L245 HydrophobicContact CD1-CD1 4.11Å; L236-L245 HydrophobicContact CD1-CD2 3.74Å; L236-L245 HydrophobicContact CD2-CD1 4.16Å; L236-F263 HydrophobicContact CB-CE1 4.27Å; L236-F263 HydrophobicContact CB-CZ 3.65Å; L236-F263 WeakPolarHBondContact O-CE1 3.47Å; L236-F263 WeakPolarHBondContact O-CZ 3.06Å |
| 237 | E | 90.8 | Very high | 94.2 | Very high | 123 Ų | 123 | 43.6 Ų | 43.6 | 58% | 0.575 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -36.5 | -170.6 | 174.3 | 167.9 | -140 | 0 | 0 | 114.7 | Y233 T261 | Y233-E237 PolarHBondContact O-N 3.15Å; E237-T261 HydrophobicContact CB-CG2 3.73Å; E237-T261 HydrophobicContact CG-CG2 3.86Å |
| 238 | S | 88.2 | Confident | 94.1 | Very high | 43 Ų | 43 | 41.8 Ų | 41.8 | 30% | 0.301 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -5.5 | -179.4 | 58.4 | 0 | 0 | 0 | 0 | 115 | A216 L236 S240 | A216-S238 VanDerWaalsContact CB-O 3.28Å; A216-S238 WeakPolarHBondContact CB-O 3.27Å; L236-S238 PolarHBondContact O-N 3.3Å; S238-S240 PolarHBondContact O-N 3.3Å |
| 239 | L | 93.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | trans | -84.3 | 72.2 | -172.4 | -54.1 | -170.9 | 0 | 0 | 0 | 112.2 | L214 P215 L218 L236 E241 L242 | L214-L239 HydrophobicContact CB-CD2 3.97Å; L214-L239 HydrophobicContact CD1-CD1 4.08Å; P215-L239 WeakPolarHBondContact O-CD2 3.35Å; L218-L239 HydrophobicContact CB-CD1 4.47Å; L218-L239 HydrophobicContact CB-CD2 4.26Å; L236-L239 HydrophobicContact CD2-CD1 3.66Å; L236-L239 WeakPolarHBondContact O-CB 3.46Å; L236-L239 WeakPolarHBondContact O-CG 3.19Å; L236-L239 PolarHBondContact O-N 3.29Å; L239-E241 PolarHBondContact O-N 3.1Å; L239-L242 HydrophobicContact CB-CB 4.02Å; L239-L242 HydrophobicContact CD1-CD1 4.23Å; L239-L242 VanDerWaalsContact O-CB 3.32Å; L239-L242 WeakPolarHBondContact O-CB 3.34Å; L239-L242 PolarHBondContact O-N 3.41Å | ||
| 240 | S | 89.7 | Confident | 93.5 | Very high | 82 Ų | 82 | 34.8 Ų | 34.8 | 57% | 0.573 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.5 | -177.5 | 60.5 | 0 | 0 | 0 | 0 | 114.3 | S238 | S238-S240 PolarHBondContact O-N 3.3Š|
| 241 | E | 90.8 | Very high | 93.4 | Very high | 104 Ų | 104 | 33.6 Ų | 33.6 | 49% | 0.486 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 0.6 | -178.9 | -62.8 | -59 | 134.2 | 0 | 0 | 113.6 | W219 L239 K243 | W219-E241 VanDerWaalsContact CA-O 3.26Å; W219-E241 WeakPolarHBondContact CA-O 3.29Å; W219-E241 HydrophobicContact CB-CB 4.41Å; W219-E241 WeakPolarHBondContact CB-O 3.26Å; L239-E241 PolarHBondContact O-N 3.1Å; E241-K243 WeakPolarHBondContact O-CG 3.27Å; E241-K243 PolarHBondContact O-N 2.88Å |
| 242 | L | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | trans | -56.5 | 126.7 | -175 | -170 | 67.1 | 0 | 0 | 0 | 111.7 | L218 I221 L236 L239 I244 L245 F263 A265 V267 | L218-L242 PolarHBondContact O-N 3.1Å; I221-L242 HydrophobicContact CG2-CD1 3.95Å; L236-L242 HydrophobicContact CD2-CD2 4.48Å; L239-L242 HydrophobicContact CB-CB 4.02Å; L239-L242 HydrophobicContact CD1-CD1 4.23Å; L239-L242 VanDerWaalsContact O-CB 3.32Å; L239-L242 WeakPolarHBondContact O-CB 3.34Å; L239-L242 PolarHBondContact O-N 3.41Å; L242-I244 WeakPolarHBondContact CD1-O 3.42Å; L242-L245 HydrophobicContact CD2-CB 4.4Å; L242-F263 HydrophobicContact CD2-CE1 4.38Å; L242-A265 WeakPolarHBondContact O-CB 3.3Å; L242-V267 HydrophobicContact CD2-CG1 4.34Å; L242-V267 HydrophobicContact CG-CG1 4.28Å | ||
| 243 | K | 95.9 | Very high | 93 | Very high | 104 Ų | 104 | 35 Ų | 35 | 45% | 0.452 | 19% | 0.189 | S | C | . | . | trans | -126.9 | -20.8 | 171.8 | -43.2 | 175.8 | -179.8 | 171.5 | 0 | 113.1 | W219 E241 V267 S268 | W219-K243 HydrophobicContact CB-CG 4.32Å; W219-K243 HydrophobicContact CE3-CB 3.9Å; W219-K243 HydrophobicContact CE3-CD 3.95Å; W219-K243 HydrophobicContact CE3-CG 4.15Å; W219-K243 HydrophobicContact CZ3-CB 4.47Å; W219-K243 PolarHBondContact O-N 3.41Å; E241-K243 WeakPolarHBondContact O-CG 3.27Å; E241-K243 PolarHBondContact O-N 2.88Å; K243-V267 CarbonylContact O-C 3.55Å; K243-S268 PolarHBondContact O-N 3.18Å | ||
| 244 | I | 97.3 | Very high | 92.8 | Very high | 18 Ų | 18 | 42.1 Ų | 42.1 | 9% | 0.092 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 123.5 | 177.1 | -59.5 | 170.9 | 0 | 0 | 0 | 109.2 | F7 W219 C220 I221 L242 S268 | F7-I244 HydrophobicContact CD2-CD1 3.6Å; F7-I244 HydrophobicContact CE2-CD1 3.95Å; F7-I244 HydrophobicContact CE2-CG2 4.11Å; W219-I244 HydrophobicContact CE3-CD1 4.29Å; W219-I244 HydrophobicContact CE3-CG1 4.42Å; W219-I244 HydrophobicContact CH2-CD1 3.89Å; W219-I244 HydrophobicContact CZ3-CD1 3.39Å; W219-I244 HydrophobicContact CZ3-CG1 3.9Å; W219-I244 PolarHBondContact O-N 3.07Å; C220-I244 HydrophobicContact CB-CB 4.17Å; C220-I244 HydrophobicContact CB-CD1 4.41Å; I221-I244 PolarHBondContact N-O 3Å; L242-I244 WeakPolarHBondContact CD1-O 3.42Å; I244-S268 WeakPolarHBondContact CA-O 3.36Å |
| 245 | L | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 104.1 | 170.8 | 175.1 | 59.6 | 0 | 0 | 0 | 108.4 | I221 I231 L236 L242 L247 V267 S268 I269 N270 F287 | I221-L245 HydrophobicContact CG2-CD1 3.71Å; I231-L245 HydrophobicContact CG2-CD2 4.48Å; L236-L245 HydrophobicContact CD1-CD1 4.11Å; L236-L245 HydrophobicContact CD1-CD2 3.74Å; L236-L245 HydrophobicContact CD2-CD1 4.16Å; L242-L245 HydrophobicContact CD2-CB 4.4Å; L245-L247 HydrophobicContact CD1-CD1 4.1Å; L245-L247 HydrophobicContact CD1-CD2 4.29Å; L245-L247 HydrophobicContact CD1-CG 3.97Å; L245-L247 HydrophobicContact CD2-CD1 3.96Å; L245-L247 HydrophobicContact CG-CD1 3.9Å; L245-L247 HydrophobicContact CG-CG 4.05Å; L245-V267 HydrophobicContact CB-CG1 4.38Å; L245-S268 PolarHBondContact N-O 3.04Å; L245-I269 HydrophobicContact CD2-CG2 4.45Å; L245-I269 WeakPolarHBondContact O-CA 3.22Å; L245-N270 PolarHBondContact O-N 3.08Å; L245-F287 HydrophobicContact CD2-CE1 4.4Å; L245-F287 HydrophobicContact CD2-CZ 4.04Å |
| 246 | D | 97.1 | Very high | 92.9 | Very high | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 113.4 | 177.5 | -166.8 | -9.2 | 0 | 0 | 0 | 111.1 | I221 L223 E248 N270 | I221-D246 PolarHBondContact O-N 3.02Å; L223-D246 CarbonylContact C-O 3.49Å; L223-D246 WeakPolarHBondContact CA-O 3.18Å; L223-D246 PolarHBondContact N-O 2.82Å; D246-E248 WeakPolarHBondContact OD1-CB 3.26Å; D246-E248 PolarHBondContact OD1-N 3.43Å; D246-N270 HydrophobicContact CB-CB 4.5Å; D246-N270 WeakPolarHBondContact OD1-CB 3.47Å; D246-N270 PolarHBondContact OD1-ND2 2.93Å; D246-N270 VanDerWaalsContact OD1-ND2 3.15Å |
| 247 | L | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -122.2 | 19.8 | -179.7 | -65.2 | 168 | 0 | 0 | 0 | 111.4 | L223 L228 I231 L245 N250 I252 N270 L271 N274 | L223-L247 HydrophobicContact CB-CD2 3.99Å; L223-L247 HydrophobicContact CD1-CD2 4.01Å; L228-L247 HydrophobicContact CD1-CD2 3.64Å; I231-L247 HydrophobicContact CB-CD1 4.44Å; I231-L247 HydrophobicContact CG1-CD1 3.96Å; I231-L247 HydrophobicContact CG2-CD1 4.21Å; L245-L247 HydrophobicContact CD1-CD1 4.1Å; L245-L247 HydrophobicContact CD1-CD2 4.29Å; L245-L247 HydrophobicContact CD1-CG 3.97Å; L245-L247 HydrophobicContact CD2-CD1 3.96Å; L245-L247 HydrophobicContact CG-CD1 3.9Å; L245-L247 HydrophobicContact CG-CG 4.05Å; L247-N250 PolarHBondContact O-ND2 2.87Å; L247-I252 HydrophobicContact CB-CD1 4.28Å; L247-I252 HydrophobicContact CD1-CD1 4.31Å; L247-N270 CarbonylContact C-O 3.5Å; L247-N270 VanDerWaalsContact CA-O 3.28Å; L247-N270 WeakPolarHBondContact CA-O 3.35Å; L247-N270 WeakPolarHBondContact CB-O 3.25Å; L247-N270 PolarHBondContact N-O 2.99Å; L247-L271 HydrophobicContact CB-CD2 3.98Å; L247-L271 HydrophobicContact CD1-CD2 3.9Å; L247-N274 PolarHBondContact O-ND2 3.34Å | ||
| 248 | E | 91.9 | Very high | 92.8 | Very high | 39 Ų | 39 | 45 Ų | 45 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 142.3 | 178.1 | 177.3 | -177.9 | 160.7 | 0 | 0 | 111.9 | K224 E225 D246 N250 N270 S272 | K224-E248 CarbonylContact C-O 3.05Å; K224-E248 VanDerWaalsContact CA-O 3.24Å; K224-E248 WeakPolarHBondContact CA-O 3.26Å; K224-E248 HydrophobicContact CB-CB 4.39Å; K224-E248 HydrophobicContact CD-CB 4.26Å; K224-E248 HydrophobicContact CD-CG 4.36Å; K224-E248 VanDerWaalsContact CE-CD 3.43Å; K224-E248 WeakPolarHBondContact CE-OE1 3.43Å; K224-E248 WeakPolarHBondContact CE-OE2 3.44Å; K224-E248 HydrophobicContact CG-CB 4.08Å; K224-E248 HydrophobicContact CG-CG 4.39Å; K224-E248 IonicContact NZ-OE1 3.27Å; K224-E248 PolarHBondContact NZ-OE1 3.17Å; K224-E248 IonicContact NZ-OE2 3.21Å; K224-E248 PolarHBondContact NZ-OE2 2.88Å; E225-E248 PolarHBondContact N-O 3.12Å; D246-E248 WeakPolarHBondContact OD1-CB 3.26Å; D246-E248 PolarHBondContact OD1-N 3.43Å; E248-N250 VanDerWaalsContact C-N 3.32Å; E248-N250 PolarHBondContact O-N 3.41Å; E248-N250 PolarHBondContact O-ND2 2.71Å; E248-N270 PolarHBondContact N-O 3.3Å; E248-N270 PolarHBondContact OE2-ND2 3.42Å; E248-S272 VanDerWaalsContact CA-O 3.3Å; E248-S272 WeakPolarHBondContact CA-O 3.47Å; E248-S272 WeakPolarHBondContact CG-OG 3.3Å |
| 249 | G | 87.5 | Confident | 93 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 25.4 | 168 | 0 | 0 | 0 | 0 | 0 | 114.9 | E225 S272 S273 | E225-G249 WeakPolarHBondContact CA-O 3.45Å; G249-S272 PolarHBondContact N-O 2.7Å; G249-S273 WeakPolarHBondContact CA-O 3.47Å |
| 250 | N | 89.4 | Confident | 92.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -90.7 | -166 | 173.9 | -83 | -84.6 | 0 | 0 | 0 | 111.4 | L223 N226 K227 L228 L247 E248 I252 N274 R1064 | L223-N250 PolarHBondContact O-ND2 2.64Å; N226-N250 WeakPolarHBondContact CA-OD1 3.24Å; N226-N250 WeakPolarHBondContact CB-OD1 3.37Å; N226-N250 PolarHBondContact N-OD1 3.09Å; N226-N250 PolarHBondContact O-OD1 3.37Å; K227-N250 PolarHBondContact N-OD1 2.92Å; L228-N250 HydrophobicContact CB-CB 4.22Å; L228-N250 WeakPolarHBondContact CB-OD1 3.26Å; L228-N250 PolarHBondContact N-OD1 3.23Å; L247-N250 PolarHBondContact O-ND2 2.87Å; E248-N250 VanDerWaalsContact C-N 3.32Å; E248-N250 PolarHBondContact O-N 3.41Å; E248-N250 PolarHBondContact O-ND2 2.71Å; N250-I252 HydrophobicContact CB-CD1 4.4Å; N250-I252 HydrophobicContact CB-CG1 4.17Å; N250-N274 VanDerWaalsContact CA-OD1 3.29Å; N250-N274 WeakPolarHBondContact CA-OD1 3.43Å; N250-N274 WeakPolarHBondContact CB-OD1 3.48Å; N250-N274 PolarHBondContact N-OD1 2.84Å; N250-N274 PolarHBondContact O-OD1 2.61Å; N250-R1064 PolarHBondContact O-NH1 3.34Å |
| 251 | S | 92 | Very high | 92.7 | Very high | 27 Ų | 27 | 46.1 Ų | 46.1 | 19% | 0.189 | 24% | 0.237 | C | C | . | . | trans | -107.6 | 24.1 | 177.6 | -63.5 | 0 | 0 | 0 | 0 | 112.4 | L228 S253 | L228-S251 CarbonylContact O-C 3.57Å; L228-S251 VanDerWaalsContact O-C 3.26Å; L228-S251 WeakPolarHBondContact O-CA 3.27Å; L228-S251 PolarHBondContact O-N 3.09Å; S251-S253 PolarHBondContact O-N 2.98Å | ||
| 252 | I | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -67.9 | 116.6 | -177.5 | -56.3 | 172.2 | 0 | 0 | 0 | 109 | L228 E229 I231 L247 N250 L255 L271 N274 R275 I276 | L228-I252 PolarHBondContact O-N 3.34Å; E229-I252 WeakPolarHBondContact O-CA 3.36Å; I231-I252 HydrophobicContact CG1-CD1 4.33Å; L247-I252 HydrophobicContact CB-CD1 4.28Å; L247-I252 HydrophobicContact CD1-CD1 4.31Å; N250-I252 HydrophobicContact CB-CD1 4.4Å; N250-I252 HydrophobicContact CB-CG1 4.17Å; I252-L255 HydrophobicContact CG2-CD2 4.04Å; I252-L271 HydrophobicContact CD1-CD2 3.67Å; I252-N274 HydrophobicContact CB-CB 4.26Å; I252-N274 VanDerWaalsContact CB-OD1 3.3Å; I252-N274 WeakPolarHBondContact CB-OD1 3.43Å; I252-N274 WeakPolarHBondContact CG1-OD1 3.18Å; I252-N274 PolarHBondContact N-OD1 2.91Å; I252-R275 CarbonylContact O-C 3.09Å; I252-R275 WeakPolarHBondContact O-CA 3.42Å; I252-R275 PolarHBondContact O-N 3.48Å; I252-I276 HydrophobicContact CG2-CG1 4.3Å; I252-I276 PolarHBondContact O-N 3.22Å | ||
| 253 | S | 90.1 | Very high | 92.7 | Very high | 51 Ų | 51 | 46.6 Ų | 46.6 | 36% | 0.357 | 24% | 0.241 | S | C | . | . | trans | -114.1 | -25.4 | -177.3 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | S251 R275 | S251-S253 PolarHBondContact O-N 2.98Å; S253-R275 WeakPolarHBondContact CA-O 3.25Å | ||
| 254 | Q | 88.9 | Confident | 92.4 | Very high | 157 Ų | 157 | 46.5 Ų | 46.5 | 73% | 0.734 | 24% | 0.244 | S | C | * | . | trans | -132.3 | 142.6 | 178.5 | -64.4 | -171.1 | -15.2 | 0 | 0 | 110 | ||||
| 255 | L | 95 | Very high | 92.1 | Very high | 15 Ų | 15 | 47 Ų | 47 | 8% | 0.079 | 25% | 0.25 | C | S | . | . | trans | -105 | 146.4 | 173.2 | -63.5 | 175.4 | 0 | 0 | 0 | 109.2 | I231 I252 I276 I279 P280 A283 F284 | I231-L255 HydrophobicContact CD1-CD2 3.85Å; I231-L255 HydrophobicContact CG1-CD2 4.34Å; I252-L255 HydrophobicContact CG2-CD2 4.04Å; L255-I276 HydrophobicContact CD1-CD1 4.18Å; L255-I276 HydrophobicContact CD1-CG2 4.38Å; L255-I276 HydrophobicContact CD2-CD1 4.25Å; L255-I276 HydrophobicContact CG-CD1 4.28Å; L255-I279 HydrophobicContact CD1-CG1 4.49Å; L255-I279 HydrophobicContact CD1-CG2 4.1Å; L255-P280 VanDerWaalsContact O-CG 3.31Å; L255-P280 WeakPolarHBondContact O-CG 3.17Å; L255-A283 HydrophobicContact CB-CB 4.22Å; L255-A283 HydrophobicContact CD1-CB 4.4Å; L255-F284 HydrophobicContact CD1-CE1 4.08Å; L255-F284 HydrophobicContact CD1-CE2 4.33Å; L255-F284 HydrophobicContact CD1-CZ 3.59Å | ||
| 256 | Q | 93.4 | Very high | 91.9 | Very high | 104 Ų | 104 | 51 Ų | 51 | 49% | 0.486 | 27% | 0.272 | S | S | . | . | trans | -87.7 | 149.5 | 178.6 | -66.3 | 178.6 | -6.9 | 0 | 0 | 111.2 | V259 A283 | Q256-V259 HydrophobicContact CB-CG2 3.66Å; Q256-A283 WeakPolarHBondContact O-CA 3.08Å | ||
| 257 | S | 93.8 | Very high | 91.9 | Very high | 48 Ų | 48 | 50.4 Ų | 50.4 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -103.2 | 146.1 | 177.2 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | V259 P280 A281 | S257-V259 VanDerWaalsContact C-N 3.3Å; S257-V259 PolarHBondContact O-N 3.06Å; S257-P280 VanDerWaalsContact OG-CB 3.27Å; S257-P280 WeakPolarHBondContact OG-CB 3.24Å; S257-P280 VanDerWaalsContact OG-CG 3.31Å; S257-P280 WeakPolarHBondContact OG-CG 3.37Å; S257-A281 WeakPolarHBondContact CB-O 3.31Å; S257-A281 PolarHBondContact OG-O 2.82Å |
| 258 | Y | 90.6 | Very high | 91.9 | Very high | 138 Ų | 138 | 51.3 Ų | 51.3 | 54% | 0.541 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 53.9 | 42.4 | 172.1 | -55.5 | -79.6 | 0 | 0 | 0 | 114.1 | A281 A282 Q309 | Y258-A281 HydrophobicContact CE2-CB 4.39Å; Y258-A282 HydrophobicContact CD1-CB 3.59Å; Y258-A282 HydrophobicContact CD2-CB 4.21Å; Y258-A282 HydrophobicContact CE1-CB 3.45Å; Y258-A282 VanDerWaalsContact CE1-CB 3.45Å; Y258-A282 HydrophobicContact CE2-CB 4.08Å; Y258-A282 HydrophobicContact CG-CB 3.98Å; Y258-A282 PolarHBondContact N-O 3.08Å; Y258-Q309 PolarHBondContact OH-OE1 3.32Å |
| 259 | V | 92.4 | Very high | 92.2 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | trans | -65.7 | 128.9 | 178.2 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | Y233 Q256 S257 T261 S286 | Y233-V259 HydrophobicContact CD1-CG1 4.02Å; Y233-V259 HydrophobicContact CD2-CG1 3.94Å; Y233-V259 HydrophobicContact CD2-CG2 4.03Å; Y233-V259 HydrophobicContact CE1-CG1 4.44Å; Y233-V259 HydrophobicContact CE2-CB 4.47Å; Y233-V259 HydrophobicContact CE2-CG1 4.36Å; Y233-V259 HydrophobicContact CE2-CG2 3.78Å; Y233-V259 HydrophobicContact CG-CG1 3.75Å; Q256-V259 HydrophobicContact CB-CG2 3.66Å; S257-V259 VanDerWaalsContact C-N 3.3Å; S257-V259 PolarHBondContact O-N 3.06Å; V259-T261 VanDerWaalsContact C-N 3.31Å; V259-T261 PolarHBondContact O-N 3.36Å; V259-S286 WeakPolarHBondContact CB-OG 3.32Å; V259-S286 PolarHBondContact O-OG 2.93Å | ||
| 260 | P | 89.3 | Confident | 92.6 | Very high | 120 Ų | 120 | 51 Ų | 51 | 78% | 0.779 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -63.7 | -29.1 | -173.2 | -25.9 | 34.8 | 0 | 0 | 0 | 115.6 | I262 | P260-I262 WeakPolarHBondContact O-CG1 3.14Š|
| 261 | T | 87.9 | Confident | 93 | Very high | 11 Ų | 11 | 51 Ų | 51 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | trans | -64 | 134.7 | 180 | -51.4 | 0 | 0 | 0 | 0 | 110.9 | E237 V259 F263 S286 | E237-T261 HydrophobicContact CB-CG2 3.73Å; E237-T261 HydrophobicContact CG-CG2 3.86Å; V259-T261 VanDerWaalsContact C-N 3.31Å; V259-T261 PolarHBondContact O-N 3.36Å; T261-F263 HydrophobicContact CG2-CE2 3.74Å; T261-F263 HydrophobicContact CG2-CZ 3.84Å; T261-S286 WeakPolarHBondContact O-CA 3.36Å; T261-S286 WeakPolarHBondContact O-CB 3.25Å; T261-S286 PolarHBondContact O-OG 3.2Å | ||
| 262 | I | 91.4 | Very high | 92.9 | Very high | 106 Ų | 106 | 49.9 Ų | 49.9 | 54% | 0.544 | 27% | 0.266 | S | S | . | . | trans | -132.1 | 122 | -178.8 | -38.1 | -179.7 | 0 | 0 | 0 | 112.6 | P260 M264 S286 R288 | P260-I262 WeakPolarHBondContact O-CG1 3.14Å; I262-M264 HydrophobicContact CB-CE 3.98Å; I262-M264 HydrophobicContact CG2-CE 3.15Å; I262-S286 CarbonylContact C-O 3.59Å; I262-S286 WeakPolarHBondContact CA-O 3.21Å; I262-R288 HydrophobicContact CG2-CB 4.48Å | ||
| 263 | F | 93.3 | Very high | 92.6 | Very high | 10 Ų | 10 | 51.7 Ų | 51.7 | 4% | 0.044 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121.6 | 173.3 | -58.5 | -84.9 | 0 | 0 | 0 | 110.5 | L236 L242 T261 V267 S286 F287 R288 | L236-F263 HydrophobicContact CB-CE1 4.27Å; L236-F263 HydrophobicContact CB-CZ 3.65Å; L236-F263 WeakPolarHBondContact O-CE1 3.47Å; L236-F263 WeakPolarHBondContact O-CZ 3.06Å; L242-F263 HydrophobicContact CD2-CE1 4.38Å; T261-F263 HydrophobicContact CG2-CE2 3.74Å; T261-F263 HydrophobicContact CG2-CZ 3.84Å; F263-V267 HydrophobicContact CB-CG2 4.5Å; F263-S286 WeakPolarHBondContact CD2-O 3.45Å; F263-S286 PolarHBondContact N-O 2.77Å; F263-F287 HydrophobicContact CB-CD1 4.09Å; F263-F287 AromaticContact CD2-CD1 3.59Å; F263-F287 HydrophobicContact CD2-CD1 3.59Å; F263-F287 AromaticContact CD2-CE1 3.47Å; F263-F287 HydrophobicContact CD2-CE1 3.47Å; F263-F287 VanDerWaalsContact CD2-CE1 3.47Å; F263-F287 HydrophobicContact CD2-CG 4.42Å; F263-F287 HydrophobicContact CD2-CZ 4.23Å; F263-F287 HydrophobicContact CE2-CD1 4.35Å; F263-F287 AromaticContact CE2-CE1 3.79Å; F263-F287 HydrophobicContact CE2-CE1 3.79Å; F263-F287 HydrophobicContact CE2-CZ 4.21Å; F263-F287 AromaticContact CG-CD1 4Å; F263-F287 HydrophobicContact CG-CD1 4Å; F263-F287 HydrophobicContact CG-CE1 4.07Å; F263-R288 WeakPolarHBondContact O-CB 3.47Å; F263-R288 PolarHBondContact O-N 3.44Å; F263-R288 VanDerWaalsContact O-N 3.09Å |
| 264 | M | 90.1 | Very high | 92.5 | Very high | 102 Ų | 102 | 49.4 Ų | 49.4 | 50% | 0.502 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -14.4 | 177.3 | -65.6 | -66.6 | 108.1 | 0 | 0 | 113.5 | I262 R288 H289 | I262-M264 HydrophobicContact CB-CE 3.98Å; I262-M264 HydrophobicContact CG2-CE 3.15Å; M264-R288 HydrophobicContact CE-CB 3.91Å; M264-R288 VanDerWaalsContact CE-CD 3.46Å; M264-R288 HydrophobicContact CE-CG 4.34Å; M264-H289 PolarHBondContact O-CD2 3.08Å |
| 265 | A | 90.7 | Very high | 92.5 | Very high | 28 Ų | 28 | 45.8 Ų | 45.8 | 23% | 0.231 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 159.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L242 V267 H289 | L242-A265 WeakPolarHBondContact O-CB 3.3Å; A265-V267 PolarHBondContact O-N 2.9Å; A265-H289 VanDerWaalsContact O-O 3.08Å |
| 266 | N | 93.6 | Very high | 92.4 | Very high | 85 Ų | 85 | 45.1 Ų | 45.1 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 112.5 | 169.5 | -76.7 | 1.1 | 0 | 0 | 0 | 109.5 | H289 | N266-H289 WeakPolarHBondContact CA-O 3.19Å; N266-H289 WeakPolarHBondContact OD1-CB 3.02Å |
| 267 | V | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132.5 | -176.1 | -166.1 | 0 | 0 | 0 | 0 | 111.4 | L242 K243 L245 F263 A265 I269 F287 H289 I290 E291 | L242-V267 HydrophobicContact CD2-CG1 4.34Å; L242-V267 HydrophobicContact CG-CG1 4.28Å; K243-V267 CarbonylContact O-C 3.55Å; L245-V267 HydrophobicContact CB-CG1 4.38Å; F263-V267 HydrophobicContact CB-CG2 4.5Å; A265-V267 PolarHBondContact O-N 2.9Å; V267-I269 HydrophobicContact CB-CG1 4.29Å; V267-I269 HydrophobicContact CG1-CG1 3.8Å; V267-F287 HydrophobicContact CB-CD1 4.28Å; V267-F287 HydrophobicContact CG1-CD1 4.47Å; V267-F287 HydrophobicContact CG2-CD1 4.12Å; V267-H289 PolarHBondContact N-O 2.76Å; V267-I290 CarbonylContact O-C 3.48Å; V267-I290 VanDerWaalsContact O-CA 3.31Å; V267-I290 WeakPolarHBondContact O-CA 3.03Å; V267-E291 PolarHBondContact O-N 3.05Å |
| 268 | S | 98.4 | Very high | 91.9 | Very high | 19 Ų | 19 | 46.7 Ų | 46.7 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 125.7 | 162.1 | -68.2 | 0 | 0 | 0 | 0 | 109.4 | K243 I244 L245 N292 | K243-S268 PolarHBondContact O-N 3.18Å; I244-S268 WeakPolarHBondContact CA-O 3.36Å; L245-S268 PolarHBondContact N-O 3.04Å; S268-N292 CarbonylContact C-O 3.45Å; S268-N292 VanDerWaalsContact CA-O 3.28Å; S268-N292 WeakPolarHBondContact CA-O 3.42Å; S268-N292 PolarHBondContact OG-ND2 3.2Å |
| 269 | I | 98.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.1 | -173.8 | -53.5 | 168.1 | 0 | 0 | 0 | 108 | L245 V267 L271 F287 I290 N292 L293 D294 | L245-I269 HydrophobicContact CD2-CG2 4.45Å; L245-I269 WeakPolarHBondContact O-CA 3.22Å; V267-I269 HydrophobicContact CB-CG1 4.29Å; V267-I269 HydrophobicContact CG1-CG1 3.8Å; I269-L271 HydrophobicContact CG2-CD1 3.96Å; I269-L271 HydrophobicContact CG2-CG 4.01Å; I269-F287 HydrophobicContact CD1-CB 4.08Å; I269-F287 HydrophobicContact CD1-CD1 3.82Å; I269-F287 HydrophobicContact CD1-CD2 3.51Å; I269-F287 HydrophobicContact CD1-CE1 4.08Å; I269-F287 HydrophobicContact CD1-CE2 3.79Å; I269-F287 HydrophobicContact CD1-CG 3.51Å; I269-F287 HydrophobicContact CD1-CZ 4.07Å; I269-I290 HydrophobicContact CD1-CD1 4.3Å; I269-I290 HydrophobicContact CD1-CG1 4.34Å; I269-N292 PolarHBondContact N-O 2.84Å; I269-L293 HydrophobicContact CB-CD1 4.01Å; I269-L293 HydrophobicContact CG2-CD1 4.16Å; I269-L293 WeakPolarHBondContact O-CA 3.41Å; I269-D294 PolarHBondContact O-N 2.91Å |
| 270 | N | 96.3 | Very high | 92.3 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 111.2 | 174.3 | -174.4 | 3.2 | 0 | 0 | 0 | 109.8 | L245 D246 L247 E248 S272 | L245-N270 PolarHBondContact O-N 3.08Å; D246-N270 HydrophobicContact CB-CB 4.5Å; D246-N270 WeakPolarHBondContact OD1-CB 3.47Å; D246-N270 PolarHBondContact OD1-ND2 2.93Å; D246-N270 VanDerWaalsContact OD1-ND2 3.15Å; L247-N270 CarbonylContact C-O 3.5Å; L247-N270 VanDerWaalsContact CA-O 3.28Å; L247-N270 WeakPolarHBondContact CA-O 3.35Å; L247-N270 WeakPolarHBondContact CB-O 3.25Å; L247-N270 PolarHBondContact N-O 2.99Å; E248-N270 PolarHBondContact N-O 3.3Å; E248-N270 PolarHBondContact OE2-ND2 3.42Å; N270-S272 VanDerWaalsContact OD1-CB 3.28Å; N270-S272 WeakPolarHBondContact OD1-CB 3.11Å; N270-S272 PolarHBondContact OD1-N 3.33Å; N270-S272 PolarHBondContact OD1-OG 3.37Å |
| 271 | L | 97.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -116.3 | 17.9 | 175.7 | -75.4 | 162.8 | 0 | 0 | 0 | 111 | I231 L247 I252 I269 N274 I276 F284 L293 D294 L295 N298 | I231-L271 HydrophobicContact CD1-CD1 4.06Å; I231-L271 HydrophobicContact CD1-CD2 4.18Å; I231-L271 HydrophobicContact CG1-CD2 4.13Å; L247-L271 HydrophobicContact CB-CD2 3.98Å; L247-L271 HydrophobicContact CD1-CD2 3.9Å; I252-L271 HydrophobicContact CD1-CD2 3.67Å; I269-L271 HydrophobicContact CG2-CD1 3.96Å; I269-L271 HydrophobicContact CG2-CG 4.01Å; L271-N274 PolarHBondContact O-ND2 2.72Å; L271-N274 VanDerWaalsContact O-ND2 3.1Å; L271-I276 HydrophobicContact CB-CD1 4.33Å; L271-F284 HydrophobicContact CD1-CE1 3.72Å; L271-F284 HydrophobicContact CD1-CZ 4.31Å; L271-L293 HydrophobicContact CD1-CD1 4.35Å; L271-D294 CarbonylContact C-O 3.19Å; L271-D294 WeakPolarHBondContact CA-O 3.34Å; L271-D294 WeakPolarHBondContact CB-O 3.35Å; L271-D294 PolarHBondContact N-O 2.93Å; L271-L295 HydrophobicContact CB-CD2 3.81Å; L271-L295 HydrophobicContact CD1-CD2 3.95Å; L271-N298 PolarHBondContact O-ND2 3.31Å | ||
| 272 | S | 89.7 | Confident | 93 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 4% | 0.035 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 159.9 | -179.4 | 65.5 | 0 | 0 | 0 | 0 | 112.3 | E248 G249 N270 N274 D294 S296 | E248-S272 VanDerWaalsContact CA-O 3.3Å; E248-S272 WeakPolarHBondContact CA-O 3.47Å; E248-S272 WeakPolarHBondContact CG-OG 3.3Å; G249-S272 PolarHBondContact N-O 2.7Å; N270-S272 VanDerWaalsContact OD1-CB 3.28Å; N270-S272 WeakPolarHBondContact OD1-CB 3.11Å; N270-S272 PolarHBondContact OD1-N 3.33Å; N270-S272 PolarHBondContact OD1-OG 3.37Å; S272-N274 PolarHBondContact O-N 3.31Å; S272-N274 VanDerWaalsContact O-N 3.11Å; S272-N274 PolarHBondContact O-ND2 3.19Å; S272-N274 VanDerWaalsContact O-ND2 3.08Å; S272-D294 PolarHBondContact N-O 3.35Å; S272-S296 CarbonylContact C-O 3.4Å; S272-S296 WeakPolarHBondContact CA-O 3.35Å; S272-S296 WeakPolarHBondContact CB-O 3.26Å; S272-S296 WeakPolarHBondContact CB-OG 3.35Å |
| 273 | S | 86.4 | Confident | 93.3 | Very high | 38 Ų | 38 | 30.7 Ų | 30.7 | 27% | 0.266 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 28.9 | 175.9 | -57.1 | 0 | 0 | 0 | 0 | 114.9 | G249 S296 Y297 | G249-S273 WeakPolarHBondContact CA-O 3.47Å; S273-S296 PolarHBondContact N-O 3.41Å; S273-Y297 WeakPolarHBondContact CA-O 3.49Å |
| 274 | N | 88.1 | Confident | 93.5 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -96.5 | -158.5 | 174 | -86 | -82.8 | 0 | 0 | 0 | 110.5 | L247 N250 I252 L271 S272 I276 N298 | L247-N274 PolarHBondContact O-ND2 3.34Å; N250-N274 VanDerWaalsContact CA-OD1 3.29Å; N250-N274 WeakPolarHBondContact CA-OD1 3.43Å; N250-N274 WeakPolarHBondContact CB-OD1 3.48Å; N250-N274 PolarHBondContact N-OD1 2.84Å; N250-N274 PolarHBondContact O-OD1 2.61Å; I252-N274 HydrophobicContact CB-CB 4.26Å; I252-N274 VanDerWaalsContact CB-OD1 3.3Å; I252-N274 WeakPolarHBondContact CB-OD1 3.43Å; I252-N274 WeakPolarHBondContact CG1-OD1 3.18Å; I252-N274 PolarHBondContact N-OD1 2.91Å; L271-N274 PolarHBondContact O-ND2 2.72Å; L271-N274 VanDerWaalsContact O-ND2 3.1Å; S272-N274 PolarHBondContact O-N 3.31Å; S272-N274 VanDerWaalsContact O-N 3.11Å; S272-N274 PolarHBondContact O-ND2 3.19Å; S272-N274 VanDerWaalsContact O-ND2 3.08Å; N274-I276 HydrophobicContact CB-CD1 4.45Å; N274-I276 HydrophobicContact CB-CG1 4.3Å; N274-N298 WeakPolarHBondContact CA-OD1 3.31Å; N274-N298 WeakPolarHBondContact CB-OD1 3.44Å; N274-N298 PolarHBondContact N-OD1 3.41Å; N274-N298 PolarHBondContact O-OD1 2.94Å |
| 275 | R | 89.2 | Confident | 93.7 | Very high | 82 Ų | 82 | 26.4 Ų | 26.4 | 31% | 0.309 | 15% | 0.146 | S | C | . | . | trans | -121.8 | 25.9 | -177.8 | -62.5 | 179.2 | 172.6 | -164.6 | -5.4 | 112.2 | I252 S253 Q277 N298 D1062 | I252-R275 CarbonylContact O-C 3.09Å; I252-R275 WeakPolarHBondContact O-CA 3.42Å; I252-R275 PolarHBondContact O-N 3.48Å; S253-R275 WeakPolarHBondContact CA-O 3.25Å; R275-Q277 PolarHBondContact O-N 3.06Å; R275-N298 PolarHBondContact N-OD1 2.97Å; R275-D1062 VanDerWaalsContact NH2-CG 3.28Å; R275-D1062 IonicContact NH2-OD1 2.94Å; R275-D1062 PolarHBondContact NH2-OD1 3.28Å; R275-D1062 IonicContact NH2-OD2 3.8Å; R275-D1062 PolarHBondContact NH2-OD2 2.83Å | ||
| 276 | I | 92.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -67.8 | 122.5 | -174.8 | -57.7 | 168.1 | 0 | 0 | 0 | 109.3 | I252 L255 L271 N274 I279 L295 N298 I299 M300 | I252-I276 HydrophobicContact CG2-CG1 4.3Å; I252-I276 PolarHBondContact O-N 3.22Å; L255-I276 HydrophobicContact CD1-CD1 4.18Å; L255-I276 HydrophobicContact CD1-CG2 4.38Å; L255-I276 HydrophobicContact CD2-CD1 4.25Å; L255-I276 HydrophobicContact CG-CD1 4.28Å; L271-I276 HydrophobicContact CB-CD1 4.33Å; N274-I276 HydrophobicContact CB-CD1 4.45Å; N274-I276 HydrophobicContact CB-CG1 4.3Å; I276-I279 HydrophobicContact CG2-CG1 4.34Å; I276-L295 HydrophobicContact CD1-CD2 3.9Å; I276-N298 HydrophobicContact CB-CB 4.22Å; I276-N298 WeakPolarHBondContact CB-OD1 3.45Å; I276-N298 WeakPolarHBondContact CG1-OD1 3.31Å; I276-N298 PolarHBondContact N-OD1 2.91Å; I276-I299 CarbonylContact O-C 3.46Å; I276-I299 WeakPolarHBondContact O-CG1 3.48Å; I276-I299 PolarHBondContact O-N 2.76Å; I276-I299 VanDerWaalsContact O-N 3.11Å; I276-M300 HydrophobicContact CB-CG 4.38Å; I276-M300 HydrophobicContact CG2-CG 4.07Å; I276-M300 HydrophobicContact CG2-SD 4.17Å; I276-M300 VanDerWaalsContact O-CG 3.28Å; I276-M300 WeakPolarHBondContact O-CG 3.24Å; I276-M300 PolarHBondContact O-N 3.38Å | ||
| 277 | Q | 87.9 | Confident | 94 | Very high | 106 Ų | 106 | 21 Ų | 21 | 50% | 0.495 | 11% | 0.114 | S | C | . | . | trans | -100.6 | -37.8 | -179 | -70.5 | -179.7 | 35.5 | 0 | 0 | 113.4 | R275 I299 M300 K301 | R275-Q277 PolarHBondContact O-N 3.06Å; Q277-I299 HydrophobicContact CG-CD1 3.37Å; Q277-I299 HydrophobicContact CG-CG1 3.62Å; Q277-M300 VanDerWaalsContact O-CA 3.31Å; Q277-M300 WeakPolarHBondContact O-CA 3.22Å; Q277-K301 PolarHBondContact O-N 2.96Å; Q277-K301 VanDerWaalsContact O-N 3.14Å | ||
| 278 | N | 90 | Very high | 93.9 | Very high | 79 Ų | 79 | 26.9 Ų | 26.9 | 42% | 0.422 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 144.2 | -179.6 | -58 | -61.2 | 0 | 0 | 0 | 108.9 | T302 | N278-T302 PolarHBondContact OD1-OG1 2.8Å |
| 279 | I | 94.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 119.2 | 173.1 | -49.2 | -178.2 | 0 | 0 | 0 | 108.9 | L255 I276 A283 F284 L295 M300 V303 H304 F307 | L255-I279 HydrophobicContact CD1-CG1 4.49Å; L255-I279 HydrophobicContact CD1-CG2 4.1Å; I276-I279 HydrophobicContact CG2-CG1 4.34Å; I279-A283 HydrophobicContact CG2-CB 3.47Å; I279-A283 VanDerWaalsContact CG2-CB 3.47Å; I279-F284 HydrophobicContact CD1-CE2 4.44Å; I279-F284 HydrophobicContact CG2-CE2 4Å; I279-L295 HydrophobicContact CD1-CD1 3.79Å; I279-M300 HydrophobicContact CD1-SD 3.55Å; I279-M300 VanDerWaalsContact CD1-SD 3.55Å; I279-M300 HydrophobicContact CG1-SD 3.66Å; I279-V303 HydrophobicContact CB-CG1 4.4Å; I279-V303 HydrophobicContact CD1-CG1 3.94Å; I279-V303 HydrophobicContact CG1-CG1 4.14Å; I279-H304 VanDerWaalsContact O-CB 3.23Å; I279-H304 WeakPolarHBondContact O-CB 3.37Å; I279-H304 PolarHBondContact O-N 3.44Å; I279-F307 HydrophobicContact CB-CB 4.24Å; I279-F307 HydrophobicContact CB-CD2 4.48Å; I279-F307 HydrophobicContact CD1-CD2 4.13Å; I279-F307 HydrophobicContact CD1-CE2 4.26Å; I279-F307 HydrophobicContact CG2-CB 3.65Å; I279-F307 HydrophobicContact CG2-CD2 3.81Å; I279-F307 HydrophobicContact CG2-CG 4.09Å |
| 280 | P | 95.7 | Very high | 93.9 | Very high | 40 Ų | 40 | 28.1 Ų | 28.1 | 26% | 0.26 | 14% | 0.139 | S | C | . | . | trans | -78.8 | 177.5 | 179.7 | 36.2 | -38.1 | 0 | 0 | 0 | 112.3 | L255 S257 A283 F307 | L255-P280 VanDerWaalsContact O-CG 3.31Å; L255-P280 WeakPolarHBondContact O-CG 3.17Å; S257-P280 VanDerWaalsContact OG-CB 3.27Å; S257-P280 WeakPolarHBondContact OG-CB 3.24Å; S257-P280 VanDerWaalsContact OG-CG 3.31Å; S257-P280 WeakPolarHBondContact OG-CG 3.37Å; P280-A283 HydrophobicContact CG-CB 4.15Å; P280-F307 VanDerWaalsContact O-CA 3.31Å; P280-F307 WeakPolarHBondContact O-CA 3.32Å; P280-F307 VanDerWaalsContact O-CB 3.31Å; P280-F307 WeakPolarHBondContact O-CB 3.47Å | ||
| 281 | A | 96.8 | Very high | 94 | Very high | 13 Ų | 13 | 29.7 Ų | 29.7 | 11% | 0.107 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 146 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S257 Y258 A283 H304 | S257-A281 WeakPolarHBondContact CB-O 3.31Å; S257-A281 PolarHBondContact OG-O 2.82Å; Y258-A281 HydrophobicContact CE2-CB 4.39Å; A281-A283 PolarHBondContact O-N 2.89Å; A281-H304 WeakPolarHBondContact CB-ND1 3.37Å |
| 282 | A | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 30.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y258 F284 S285 E306 Q309 | Y258-A282 HydrophobicContact CD1-CB 3.59Å; Y258-A282 HydrophobicContact CD2-CB 4.21Å; Y258-A282 HydrophobicContact CE1-CB 3.45Å; Y258-A282 VanDerWaalsContact CE1-CB 3.45Å; Y258-A282 HydrophobicContact CE2-CB 4.08Å; Y258-A282 HydrophobicContact CG-CB 3.98Å; Y258-A282 PolarHBondContact N-O 3.08Å; A282-F284 PolarHBondContact O-N 2.82Å; A282-S285 WeakPolarHBondContact O-CB 2.8Å; A282-S285 PolarHBondContact O-N 2.71Å; A282-S285 PolarHBondContact O-OG 3.02Å; A282-E306 PolarHBondContact N-O 2.71Å; A282-Q309 WeakPolarHBondContact CA-O 3.32Å; A282-Q309 HydrophobicContact CB-CB 4.02Å; A282-Q309 HydrophobicContact CB-CG 4.5Å |
| 283 | A | 96.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -24.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y233 L255 Q256 I279 P280 A281 F307 | Y233-A283 PolarHBondContact OH-O 2.79Å; L255-A283 HydrophobicContact CB-CB 4.22Å; L255-A283 HydrophobicContact CD1-CB 4.4Å; Q256-A283 WeakPolarHBondContact O-CA 3.08Å; I279-A283 HydrophobicContact CG2-CB 3.47Å; I279-A283 VanDerWaalsContact CG2-CB 3.47Å; P280-A283 HydrophobicContact CG-CB 4.15Å; A281-A283 PolarHBondContact O-N 2.89Å; A283-F307 PolarHBondContact N-O 2.87Å; A283-F307 VanDerWaalsContact N-O 3.1Å |
| 284 | F | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 18.9 | 179.7 | -55.2 | -73.9 | 0 | 0 | 0 | 112.3 | L255 L271 I279 A282 S286 F287 I290 L293 L295 F307 L308 V311 | L255-F284 HydrophobicContact CD1-CE1 4.08Å; L255-F284 HydrophobicContact CD1-CE2 4.33Å; L255-F284 HydrophobicContact CD1-CZ 3.59Å; L271-F284 HydrophobicContact CD1-CE1 3.72Å; L271-F284 HydrophobicContact CD1-CZ 4.31Å; I279-F284 HydrophobicContact CD1-CE2 4.44Å; I279-F284 HydrophobicContact CG2-CE2 4Å; A282-F284 PolarHBondContact O-N 2.82Å; F284-S286 PolarHBondContact O-N 3.26Å; F284-S286 VanDerWaalsContact O-N 3.11Å; F284-F287 PolarHBondContact O-N 2.77Å; F284-I290 HydrophobicContact CB-CD1 4.19Å; F284-L293 HydrophobicContact CD1-CD1 4.5Å; F284-L293 HydrophobicContact CD1-CD2 4.4Å; F284-L293 HydrophobicContact CD2-CD2 4.07Å; F284-L293 HydrophobicContact CE1-CD1 4.03Å; F284-L293 HydrophobicContact CE1-CD2 4.24Å; F284-L293 HydrophobicContact CE2-CD2 3.88Å; F284-L293 HydrophobicContact CG-CD2 4.32Å; F284-L293 HydrophobicContact CZ-CD1 4.28Å; F284-L293 HydrophobicContact CZ-CD2 3.97Å; F284-L295 HydrophobicContact CE2-CD1 4.2Å; F284-L295 HydrophobicContact CZ-CD1 3.96Å; F284-L295 HydrophobicContact CZ-CD2 4.04Å; F284-L295 HydrophobicContact CZ-CG 4.49Å; F284-F307 HydrophobicContact CD2-CD2 4.13Å; F284-F307 AromaticContact CE2-CD2 3.96Å; F284-F307 HydrophobicContact CE2-CD2 3.96Å; F284-F307 HydrophobicContact CE2-CE2 4.28Å; F284-L308 HydrophobicContact CD2-CD2 4.03Å; F284-V311 HydrophobicContact CB-CG2 3.85Å; F284-V311 WeakPolarHBondContact O-CG2 3.48Å |
| 285 | S | 95.5 | Very high | 95.4 | Very high | 22 Ų | 22 | 32.6 Ų | 32.6 | 15% | 0.154 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24.8 | -177.7 | 49.3 | 0 | 0 | 0 | 0 | 114 | A282 F287 Q309 | A282-S285 WeakPolarHBondContact O-CB 2.8Å; A282-S285 PolarHBondContact O-N 2.71Å; A282-S285 PolarHBondContact O-OG 3.02Å; S285-F287 VanDerWaalsContact C-N 3.28Å; S285-F287 PolarHBondContact O-N 3.36Å; S285-Q309 WeakPolarHBondContact CA-O 3.47Å; S285-Q309 WeakPolarHBondContact CB-O 3.3Å |
| 286 | S | 94.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -27.8 | 172.6 | -62.7 | 0 | 0 | 0 | 0 | 113.8 | V259 T261 I262 F263 F284 | V259-S286 WeakPolarHBondContact CB-OG 3.32Å; V259-S286 PolarHBondContact O-OG 2.93Å; T261-S286 WeakPolarHBondContact O-CA 3.36Å; T261-S286 WeakPolarHBondContact O-CB 3.25Å; T261-S286 PolarHBondContact O-OG 3.2Å; I262-S286 CarbonylContact C-O 3.59Å; I262-S286 WeakPolarHBondContact CA-O 3.21Å; F263-S286 WeakPolarHBondContact CD2-O 3.45Å; F263-S286 PolarHBondContact N-O 2.77Å; F284-S286 PolarHBondContact O-N 3.26Å; F284-S286 VanDerWaalsContact O-N 3.11Å |
| 287 | F | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 93.1 | -176.1 | -56 | -79.1 | 0 | 0 | 0 | 109.8 | Y233 L245 F263 V267 I269 F284 S285 H289 I290 | Y233-F287 AromaticContact CE1-CE2 3.78Å; Y233-F287 HydrophobicContact CE1-CE2 3.78Å; Y233-F287 AromaticContact CE1-CZ 3.98Å; Y233-F287 HydrophobicContact CE1-CZ 3.98Å; L245-F287 HydrophobicContact CD2-CE1 4.4Å; L245-F287 HydrophobicContact CD2-CZ 4.04Å; F263-F287 HydrophobicContact CB-CD1 4.09Å; F263-F287 AromaticContact CD2-CD1 3.59Å; F263-F287 HydrophobicContact CD2-CD1 3.59Å; F263-F287 AromaticContact CD2-CE1 3.47Å; F263-F287 HydrophobicContact CD2-CE1 3.47Å; F263-F287 VanDerWaalsContact CD2-CE1 3.47Å; F263-F287 HydrophobicContact CD2-CG 4.42Å; F263-F287 HydrophobicContact CD2-CZ 4.23Å; F263-F287 HydrophobicContact CE2-CD1 4.35Å; F263-F287 AromaticContact CE2-CE1 3.79Å; F263-F287 HydrophobicContact CE2-CE1 3.79Å; F263-F287 HydrophobicContact CE2-CZ 4.21Å; F263-F287 AromaticContact CG-CD1 4Å; F263-F287 HydrophobicContact CG-CD1 4Å; F263-F287 HydrophobicContact CG-CE1 4.07Å; V267-F287 HydrophobicContact CB-CD1 4.28Å; V267-F287 HydrophobicContact CG1-CD1 4.47Å; V267-F287 HydrophobicContact CG2-CD1 4.12Å; I269-F287 HydrophobicContact CD1-CB 4.08Å; I269-F287 HydrophobicContact CD1-CD1 3.82Å; I269-F287 HydrophobicContact CD1-CD2 3.51Å; I269-F287 HydrophobicContact CD1-CE1 4.08Å; I269-F287 HydrophobicContact CD1-CE2 3.79Å; I269-F287 HydrophobicContact CD1-CG 3.51Å; I269-F287 HydrophobicContact CD1-CZ 4.07Å; F284-F287 PolarHBondContact O-N 2.77Å; S285-F287 VanDerWaalsContact C-N 3.28Å; S285-F287 PolarHBondContact O-N 3.36Å; F287-H289 VanDerWaalsContact C-N 3.25Å; F287-H289 PolarHBondContact O-N 3.38Å; F287-I290 HydrophobicContact CB-CD1 4.02Å; F287-I290 HydrophobicContact CB-CG1 3.78Å |
| 288 | R | 95.5 | Very high | 95 | Very high | 123 Ų | 123 | 28.8 Ų | 28.8 | 46% | 0.464 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | -32.5 | -173.7 | -169.6 | 166.5 | -176.8 | 162.6 | 1.9 | 112.4 | I262 F263 M264 A312 T313 | I262-R288 HydrophobicContact CG2-CB 4.48Å; F263-R288 WeakPolarHBondContact O-CB 3.47Å; F263-R288 PolarHBondContact O-N 3.44Å; F263-R288 VanDerWaalsContact O-N 3.09Å; M264-R288 HydrophobicContact CE-CB 3.91Å; M264-R288 VanDerWaalsContact CE-CD 3.46Å; M264-R288 HydrophobicContact CE-CG 4.34Å; R288-A312 HydrophobicContact CG-CB 3.88Å; R288-A312 WeakPolarHBondContact O-CA 3.33Å; R288-A312 WeakPolarHBondContact O-CB 3.35Å; R288-A312 PolarHBondContact O-N 2.99Å; R288-T313 PolarHBondContact O-N 2.81Å |
| 289 | H | 97.3 | Very high | 95 | Very high | 47 Ų | 47 | 27.1 Ų | 27.1 | 22% | 0.218 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 121.6 | 176.3 | -56.5 | -75.8 | 0 | 0 | 0 | 110.7 | M264 A265 N266 V267 F287 T313 | M264-H289 PolarHBondContact O-CD2 3.08Å; A265-H289 VanDerWaalsContact O-O 3.08Å; N266-H289 WeakPolarHBondContact CA-O 3.19Å; N266-H289 WeakPolarHBondContact OD1-CB 3.02Å; V267-H289 PolarHBondContact N-O 2.76Å; F287-H289 VanDerWaalsContact C-N 3.25Å; F287-H289 PolarHBondContact O-N 3.38Å; H289-T313 WeakPolarHBondContact CA-O 3.16Å; H289-T313 PolarHBondContact ND1-OG1 3.13Å |
| 290 | I | 98.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127 | -179 | -62.8 | 175.5 | 0 | 0 | 0 | 108.7 | V267 I269 F284 F287 L293 V311 T313 M314 T315 | V267-I290 CarbonylContact O-C 3.48Å; V267-I290 VanDerWaalsContact O-CA 3.31Å; V267-I290 WeakPolarHBondContact O-CA 3.03Å; I269-I290 HydrophobicContact CD1-CD1 4.3Å; I269-I290 HydrophobicContact CD1-CG1 4.34Å; F284-I290 HydrophobicContact CB-CD1 4.19Å; F287-I290 HydrophobicContact CB-CD1 4.02Å; F287-I290 HydrophobicContact CB-CG1 3.78Å; I290-L293 HydrophobicContact CG2-CB 3.88Å; I290-V311 HydrophobicContact CD1-CG1 3.93Å; I290-V311 HydrophobicContact CD1-CG2 3.92Å; I290-V311 HydrophobicContact CG1-CG1 4.15Å; I290-T313 PolarHBondContact N-O 2.89Å; I290-M314 HydrophobicContact CB-CB 4.48Å; I290-M314 HydrophobicContact CB-CE 4.11Å; I290-M314 HydrophobicContact CB-CG 4.21Å; I290-M314 HydrophobicContact CD1-CE 3.63Å; I290-M314 HydrophobicContact CG1-CE 4.44Å; I290-M314 HydrophobicContact CG2-CE 4.08Å; I290-M314 HydrophobicContact CG2-CG 4.14Å; I290-M314 CarbonylContact O-C 3.2Å; I290-M314 WeakPolarHBondContact O-CA 3.36Å; I290-T315 PolarHBondContact O-N 3.08Å; I290-T315 VanDerWaalsContact O-N 3.11Å |
| 291 | E | 98.1 | Very high | 94.4 | Very high | 62 Ų | 62 | 31.2 Ų | 31.2 | 29% | 0.29 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -61 | 171.6 | -170 | 178.9 | 167.5 | 0 | 0 | 109.5 | V267 T315 S316 | V267-E291 PolarHBondContact O-N 3.05Å; E291-T315 CarbonylContact O-C 3.48Å; E291-T315 WeakPolarHBondContact O-CA 3.11Å; E291-T315 WeakPolarHBondContact O-CB 3.47Å; E291-T315 PolarHBondContact O-N 3.34Å; E291-S316 PolarHBondContact O-N 3.31Å |
| 292 | N | 98.3 | Very high | 94 | Very high | 62 Ų | 62 | 34.3 Ų | 34.3 | 33% | 0.332 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 129.6 | 178.5 | -52.5 | -66.7 | 0 | 0 | 0 | 109.5 | S268 I269 S316 | S268-N292 CarbonylContact C-O 3.45Å; S268-N292 VanDerWaalsContact CA-O 3.28Å; S268-N292 WeakPolarHBondContact CA-O 3.42Å; S268-N292 PolarHBondContact OG-ND2 3.2Å; I269-N292 PolarHBondContact N-O 2.84Å; N292-S316 WeakPolarHBondContact CA-O 3.04Å; N292-S316 WeakPolarHBondContact OD1-CB 3.41Å |
| 293 | L | 98.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 115.2 | 168.5 | 176.4 | 58.8 | 0 | 0 | 0 | 108.9 | I269 L271 F284 I290 L295 M314 S316 L317 D318 | I269-L293 HydrophobicContact CB-CD1 4.01Å; I269-L293 HydrophobicContact CG2-CD1 4.16Å; I269-L293 WeakPolarHBondContact O-CA 3.41Å; L271-L293 HydrophobicContact CD1-CD1 4.35Å; F284-L293 HydrophobicContact CD1-CD1 4.5Å; F284-L293 HydrophobicContact CD1-CD2 4.4Å; F284-L293 HydrophobicContact CD2-CD2 4.07Å; F284-L293 HydrophobicContact CE1-CD1 4.03Å; F284-L293 HydrophobicContact CE1-CD2 4.24Å; F284-L293 HydrophobicContact CE2-CD2 3.88Å; F284-L293 HydrophobicContact CG-CD2 4.32Å; F284-L293 HydrophobicContact CZ-CD1 4.28Å; F284-L293 HydrophobicContact CZ-CD2 3.97Å; I290-L293 HydrophobicContact CG2-CB 3.88Å; L293-L295 HydrophobicContact CD1-CD1 4.35Å; L293-L295 HydrophobicContact CD1-CG 4.13Å; L293-L295 HydrophobicContact CD2-CD1 3.87Å; L293-L295 HydrophobicContact CG-CD1 3.94Å; L293-L295 HydrophobicContact CG-CG 4.09Å; L293-M314 HydrophobicContact CB-CE 4.11Å; L293-M314 HydrophobicContact CB-SD 4.39Å; L293-M314 HydrophobicContact CD2-CE 3.74Å; L293-S316 PolarHBondContact N-O 3.08Å; L293-L317 HydrophobicContact CB-CD1 3.97Å; L293-L317 HydrophobicContact CD2-CD1 3.87Å; L293-L317 HydrophobicContact CG-CD1 3.89Å; L293-L317 WeakPolarHBondContact O-CA 3.47Å; L293-D318 PolarHBondContact O-N 3.07Å |
| 294 | D | 97.4 | Very high | 93.9 | Very high | 42 Ų | 42 | 38.6 Ų | 38.6 | 23% | 0.225 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 116.9 | 175.4 | -169.2 | -15.4 | 0 | 0 | 0 | 110 | I269 L271 S272 S296 D318 | I269-D294 PolarHBondContact O-N 2.91Å; L271-D294 CarbonylContact C-O 3.19Å; L271-D294 WeakPolarHBondContact CA-O 3.34Å; L271-D294 WeakPolarHBondContact CB-O 3.35Å; L271-D294 PolarHBondContact N-O 2.93Å; S272-D294 PolarHBondContact N-O 3.35Å; D294-S296 WeakPolarHBondContact OD1-CB 3.34Å; D294-S296 PolarHBondContact OD1-N 3.47Å; D294-S296 PolarHBondContact OD1-OG 3.41Å; D294-D318 HydrophobicContact CB-CB 4.49Å |
| 295 | L | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -120.4 | 18 | 175.8 | -71.3 | 160.5 | 0 | 0 | 0 | 111 | L271 I276 I279 F284 L293 N298 M300 L317 D318 L319 N322 | L271-L295 HydrophobicContact CB-CD2 3.81Å; L271-L295 HydrophobicContact CD1-CD2 3.95Å; I276-L295 HydrophobicContact CD1-CD2 3.9Å; I279-L295 HydrophobicContact CD1-CD1 3.79Å; F284-L295 HydrophobicContact CE2-CD1 4.2Å; F284-L295 HydrophobicContact CZ-CD1 3.96Å; F284-L295 HydrophobicContact CZ-CD2 4.04Å; F284-L295 HydrophobicContact CZ-CG 4.49Å; L293-L295 HydrophobicContact CD1-CD1 4.35Å; L293-L295 HydrophobicContact CD1-CG 4.13Å; L293-L295 HydrophobicContact CD2-CD1 3.87Å; L293-L295 HydrophobicContact CG-CD1 3.94Å; L293-L295 HydrophobicContact CG-CG 4.09Å; L295-N298 PolarHBondContact O-ND2 3Å; L295-M300 HydrophobicContact CB-CE 3.75Å; L295-M300 WeakPolarHBondContact O-CE 3.33Å; L295-L317 HydrophobicContact CD1-CD1 4.4Å; L295-D318 PolarHBondContact N-O 3.26Å; L295-L319 HydrophobicContact CB-CD2 4.09Å; L295-L319 HydrophobicContact CD1-CD2 3.86Å; L295-N322 PolarHBondContact O-ND2 2.99Å | ||
| 296 | S | 89.9 | Confident | 93.8 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 162.2 | -177.6 | 65.4 | 0 | 0 | 0 | 0 | 112.7 | S272 S273 D294 N298 S320 | S272-S296 CarbonylContact C-O 3.4Å; S272-S296 WeakPolarHBondContact CA-O 3.35Å; S272-S296 WeakPolarHBondContact CB-O 3.26Å; S272-S296 WeakPolarHBondContact CB-OG 3.35Å; S273-S296 PolarHBondContact N-O 3.41Å; D294-S296 WeakPolarHBondContact OD1-CB 3.34Å; D294-S296 PolarHBondContact OD1-N 3.47Å; D294-S296 PolarHBondContact OD1-OG 3.41Å; S296-N298 PolarHBondContact O-N 2.83Å; S296-N298 VanDerWaalsContact O-N 3.11Å; S296-N298 PolarHBondContact O-ND2 2.66Å; S296-S320 WeakPolarHBondContact CA-O 3.38Å; S296-S320 WeakPolarHBondContact CB-O 3.44Å; S296-S320 WeakPolarHBondContact CB-OG 3.13Å |
| 297 | Y | 85.4 | Confident | 93.9 | Very high | 97 Ų | 97 | 44.1 Ų | 44.1 | 38% | 0.38 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 31.8 | 177.2 | -65.4 | -87.5 | 0 | 0 | 0 | 114.5 | S273 S320 H321 | S273-Y297 WeakPolarHBondContact CA-O 3.49Å; Y297-S320 PolarHBondContact N-O 3.37Å; Y297-H321 VanDerWaalsContact CA-O 3.31Å; Y297-H321 WeakPolarHBondContact CA-O 3.3Å; Y297-H321 HydrophobicContact CD1-CB 3.82Å; Y297-H321 HydrophobicContact CD2-CB 4.11Å; Y297-H321 HydrophobicContact CE1-CB 3.96Å; Y297-H321 AromaticContact CE1-CD2 3.96Å; Y297-H321 AromaticContact CE1-CG 3.66Å; Y297-H321 AromaticContact CE1-ND1 3.79Å; Y297-H321 HydrophobicContact CE2-CB 4.21Å; Y297-H321 AromaticContact CE2-CD2 3.41Å; Y297-H321 VanDerWaalsContact CE2-CD2 3.41Å; Y297-H321 WeakPolarHBondContact CE2-CD2 3.44Å; Y297-H321 AromaticContact CE2-CG 3.86Å; Y297-H321 AromaticContact CE2-NE2 3.95Å; Y297-H321 HydrophobicContact CG-CB 3.91Å; Y297-H321 AromaticContact CZ-CD2 3.33Å; Y297-H321 AromaticContact CZ-CE1 3.81Å; Y297-H321 AromaticContact CZ-CG 3.54Å; Y297-H321 AromaticContact CZ-ND1 3.85Å; Y297-H321 AromaticContact CZ-NE2 3.51Å; Y297-H321 PolarHBondContact N-O 2.96Å; Y297-H321 PolarHBondContact OH-CD2 3.1Å; Y297-H321 PolarHBondContact OH-CE1 3.11Å; Y297-H321 PolarHBondContact OH-NE2 3.48Å |
| 298 | N | 86.2 | Confident | 93.9 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -98.2 | -166.9 | 169.3 | -82.7 | -81.8 | 0 | 0 | 0 | 109.5 | L271 N274 R275 I276 L295 S296 M300 N322 | L271-N298 PolarHBondContact O-ND2 3.31Å; N274-N298 WeakPolarHBondContact CA-OD1 3.31Å; N274-N298 WeakPolarHBondContact CB-OD1 3.44Å; N274-N298 PolarHBondContact N-OD1 3.41Å; N274-N298 PolarHBondContact O-OD1 2.94Å; R275-N298 PolarHBondContact N-OD1 2.97Å; I276-N298 HydrophobicContact CB-CB 4.22Å; I276-N298 WeakPolarHBondContact CB-OD1 3.45Å; I276-N298 WeakPolarHBondContact CG1-OD1 3.31Å; I276-N298 PolarHBondContact N-OD1 2.91Å; L295-N298 PolarHBondContact O-ND2 3Å; S296-N298 PolarHBondContact O-N 2.83Å; S296-N298 VanDerWaalsContact O-N 3.11Å; S296-N298 PolarHBondContact O-ND2 2.66Å; N298-M300 HydrophobicContact CB-CE 4.39Å; N298-M300 HydrophobicContact CB-CG 4.08Å; N298-N322 WeakPolarHBondContact CA-OD1 3.14Å; N298-N322 WeakPolarHBondContact CB-OD1 3.42Å; N298-N322 PolarHBondContact O-OD1 3.24Å |
| 299 | I | 88.8 | Confident | 93.9 | Very high | 44 Ų | 44 | 41.6 Ų | 41.6 | 23% | 0.226 | 21% | 0.205 | C | C | . | . | trans | -121 | 33.9 | -179.9 | 52.1 | 171.2 | 0 | 0 | 0 | 110.7 | I276 Q277 K301 N322 | I276-I299 CarbonylContact O-C 3.46Å; I276-I299 WeakPolarHBondContact O-CG1 3.48Å; I276-I299 PolarHBondContact O-N 2.76Å; I276-I299 VanDerWaalsContact O-N 3.11Å; Q277-I299 HydrophobicContact CG-CD1 3.37Å; Q277-I299 HydrophobicContact CG-CG1 3.62Å; I299-K301 PolarHBondContact O-N 2.92Å; I299-N322 PolarHBondContact N-OD1 3.28Å | ||
| 300 | M | 89.3 | Confident | 93.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -69.5 | 125 | -172.5 | -63.1 | -174.2 | -72 | 0 | 0 | 111.3 | I276 Q277 I279 L295 N298 L319 N322 R323 L324 | I276-M300 HydrophobicContact CB-CG 4.38Å; I276-M300 HydrophobicContact CG2-CG 4.07Å; I276-M300 HydrophobicContact CG2-SD 4.17Å; I276-M300 VanDerWaalsContact O-CG 3.28Å; I276-M300 WeakPolarHBondContact O-CG 3.24Å; I276-M300 PolarHBondContact O-N 3.38Å; Q277-M300 VanDerWaalsContact O-CA 3.31Å; Q277-M300 WeakPolarHBondContact O-CA 3.22Å; I279-M300 HydrophobicContact CD1-SD 3.55Å; I279-M300 VanDerWaalsContact CD1-SD 3.55Å; I279-M300 HydrophobicContact CG1-SD 3.66Å; L295-M300 HydrophobicContact CB-CE 3.75Å; L295-M300 WeakPolarHBondContact O-CE 3.33Å; N298-M300 HydrophobicContact CB-CE 4.39Å; N298-M300 HydrophobicContact CB-CG 4.08Å; M300-L319 HydrophobicContact CE-CD2 3.93Å; M300-N322 HydrophobicContact CB-CB 4.27Å; M300-N322 VanDerWaalsContact CB-OD1 3.3Å; M300-N322 WeakPolarHBondContact CB-OD1 3.39Å; M300-N322 HydrophobicContact CE-CB 4.36Å; M300-N322 WeakPolarHBondContact CE-ND2 3.5Å; M300-N322 VanDerWaalsContact CE-OD1 3.24Å; M300-N322 WeakPolarHBondContact CE-OD1 3.34Å; M300-N322 WeakPolarHBondContact CG-OD1 3.49Å; M300-N322 PolarHBondContact N-OD1 2.94Å; M300-R323 CarbonylContact O-C 3.29Å; M300-R323 VanDerWaalsContact O-CA 3.27Å; M300-R323 WeakPolarHBondContact O-CA 3.09Å; M300-R323 WeakPolarHBondContact O-CB 3.3Å; M300-R323 PolarHBondContact O-N 3.22Å; M300-L324 HydrophobicContact CB-CD2 4.1Å; M300-L324 HydrophobicContact CB-CG 4.47Å; M300-L324 PolarHBondContact O-N 3.05Å | ||
| 301 | K | 88 | Confident | 93.7 | Very high | 129 Ų | 129 | 41.4 Ų | 41.4 | 56% | 0.561 | 22% | 0.215 | S | C | * | . | trans | -102.2 | -32.5 | 173 | -66.3 | -179.1 | -177.8 | 175.9 | 0 | 112.3 | Q277 I299 R323 | Q277-K301 PolarHBondContact O-N 2.96Å; Q277-K301 VanDerWaalsContact O-N 3.14Å; I299-K301 PolarHBondContact O-N 2.92Å; K301-R323 HydrophobicContact CG-CB 4.22Å | ||
| 302 | T | 89.3 | Confident | 93.7 | Very high | 78 Ų | 78 | 40.6 Ų | 40.6 | 48% | 0.479 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 155.8 | -178.1 | 74.1 | 0 | 0 | 0 | 0 | 111.3 | N278 | N278-T302 PolarHBondContact OD1-OG1 2.8Å |
| 303 | V | 95 | Very high | 93.6 | Very high | 9 Ų | 9 | 40 Ų | 40 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.3 | 169.5 | -58 | 0 | 0 | 0 | 0 | 109.1 | I279 F307 L324 L327 P328 | I279-V303 HydrophobicContact CB-CG1 4.4Å; I279-V303 HydrophobicContact CD1-CG1 3.94Å; I279-V303 HydrophobicContact CG1-CG1 4.14Å; V303-F307 HydrophobicContact CB-CD1 4.27Å; V303-F307 HydrophobicContact CG2-CD1 4.34Å; V303-F307 HydrophobicContact CG2-CE1 4.33Å; V303-L324 HydrophobicContact CG1-CD2 4.13Å; V303-L327 HydrophobicContact CG2-CD2 3.52Å; V303-P328 WeakPolarHBondContact O-CG 3.36Å |
| 304 | H | 96.2 | Very high | 93.6 | Very high | 82 Ų | 82 | 40 Ų | 40 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | trans | -65.9 | 147.7 | 172.5 | -167.4 | -92.9 | 0 | 0 | 0 | 110.7 | I279 A281 E306 F307 | I279-H304 VanDerWaalsContact O-CB 3.23Å; I279-H304 WeakPolarHBondContact O-CB 3.37Å; I279-H304 PolarHBondContact O-N 3.44Å; A281-H304 WeakPolarHBondContact CB-ND1 3.37Å; H304-E306 PolarHBondContact ND1-N 2.73Å; H304-E306 VanDerWaalsContact ND1-N 3.2Å; H304-E306 PolarHBondContact O-N 3.31Å; H304-E306 VanDerWaalsContact O-N 3.1Å; H304-F307 HydrophobicContact CB-CB 4.42Å; H304-F307 VanDerWaalsContact O-CD1 3.27Å; H304-F307 WeakPolarHBondContact O-CD1 3.26Å; H304-F307 PolarHBondContact O-N 3.09Å | ||
| 305 | S | 93.7 | Very high | 93.7 | Very high | 42 Ų | 42 | 40.3 Ų | 40.3 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.2 | -178 | 55.1 | 0 | 0 | 0 | 0 | 114.7 | N330 S331 | S305-N330 CarbonylContact O-C 3.47Å; S305-S331 VanDerWaalsContact O-CA 3.31Å; S305-S331 WeakPolarHBondContact O-CA 3.08Å |
| 306 | E | 95.7 | Very high | 93.7 | Very high | 97 Ų | 97 | 41.4 Ų | 41.4 | 45% | 0.453 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 27.3 | -176.8 | -64.6 | -178.1 | 154.1 | 0 | 0 | 111.4 | A282 H304 L308 Q309 | A282-E306 PolarHBondContact N-O 2.71Å; H304-E306 PolarHBondContact ND1-N 2.73Å; H304-E306 VanDerWaalsContact ND1-N 3.2Å; H304-E306 PolarHBondContact O-N 3.31Å; H304-E306 VanDerWaalsContact O-N 3.1Å; E306-L308 PolarHBondContact O-N 3.43Å; E306-Q309 HydrophobicContact CB-CB 4.18Å; E306-Q309 WeakPolarHBondContact O-CB 3.08Å; E306-Q309 PolarHBondContact O-N 2.91Å; E306-Q309 PolarHBondContact OE2-OE1 2.76Å |
| 307 | F | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -26.6 | -176.5 | 81.4 | -84.4 | 0 | 0 | 0 | 113.8 | I279 P280 A283 F284 V303 H304 Q309 F332 | I279-F307 HydrophobicContact CB-CB 4.24Å; I279-F307 HydrophobicContact CB-CD2 4.48Å; I279-F307 HydrophobicContact CD1-CD2 4.13Å; I279-F307 HydrophobicContact CD1-CE2 4.26Å; I279-F307 HydrophobicContact CG2-CB 3.65Å; I279-F307 HydrophobicContact CG2-CD2 3.81Å; I279-F307 HydrophobicContact CG2-CG 4.09Å; P280-F307 VanDerWaalsContact O-CA 3.31Å; P280-F307 WeakPolarHBondContact O-CA 3.32Å; P280-F307 VanDerWaalsContact O-CB 3.31Å; P280-F307 WeakPolarHBondContact O-CB 3.47Å; A283-F307 PolarHBondContact N-O 2.87Å; A283-F307 VanDerWaalsContact N-O 3.1Å; F284-F307 HydrophobicContact CD2-CD2 4.13Å; F284-F307 AromaticContact CE2-CD2 3.96Å; F284-F307 HydrophobicContact CE2-CD2 3.96Å; F284-F307 HydrophobicContact CE2-CE2 4.28Å; V303-F307 HydrophobicContact CB-CD1 4.27Å; V303-F307 HydrophobicContact CG2-CD1 4.34Å; V303-F307 HydrophobicContact CG2-CE1 4.33Å; H304-F307 HydrophobicContact CB-CB 4.42Å; H304-F307 VanDerWaalsContact O-CD1 3.27Å; H304-F307 WeakPolarHBondContact O-CD1 3.26Å; H304-F307 PolarHBondContact O-N 3.09Å; F307-Q309 VanDerWaalsContact C-N 3.34Å; F307-F332 HydrophobicContact CE1-CE1 4.18Å; F307-F332 HydrophobicContact CZ-CE1 4.01Å |
| 308 | L | 97.2 | Very high | 94.7 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 13.9 | 172.6 | -61.5 | 179 | 0 | 0 | 0 | 113.4 | F284 E306 G310 V311 M314 F332 N334 V335 | F284-L308 HydrophobicContact CD2-CD2 4.03Å; E306-L308 PolarHBondContact O-N 3.43Å; L308-G310 PolarHBondContact O-N 3.01Å; L308-V311 HydrophobicContact CD2-CG2 4.34Å; L308-V311 WeakPolarHBondContact O-CB 3.39Å; L308-V311 PolarHBondContact O-N 2.99Å; L308-V311 VanDerWaalsContact O-N 3.09Å; L308-M314 HydrophobicContact CD1-CE 4.33Å; L308-M314 HydrophobicContact CD2-CE 3.59Å; L308-F332 HydrophobicContact CD1-CD1 3.94Å; L308-N334 PolarHBondContact O-ND2 2.68Å; L308-V335 HydrophobicContact CD1-CG1 4.35Å; L308-V335 HydrophobicContact CD1-CG2 3.7Å |
| 309 | Q | 95.8 | Very high | 95.3 | Very high | 67 Ų | 67 | 38.4 Ų | 38.4 | 31% | 0.313 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 132.2 | 173 | -173 | 173.3 | 9.2 | 0 | 0 | 110.7 | Y258 A282 S285 E306 F307 N334 | Y258-Q309 PolarHBondContact OH-OE1 3.32Å; A282-Q309 WeakPolarHBondContact CA-O 3.32Å; A282-Q309 HydrophobicContact CB-CB 4.02Å; A282-Q309 HydrophobicContact CB-CG 4.5Å; S285-Q309 WeakPolarHBondContact CA-O 3.47Å; S285-Q309 WeakPolarHBondContact CB-O 3.3Å; E306-Q309 HydrophobicContact CB-CB 4.18Å; E306-Q309 WeakPolarHBondContact O-CB 3.08Å; E306-Q309 PolarHBondContact O-N 2.91Å; E306-Q309 PolarHBondContact OE2-OE1 2.76Å; F307-Q309 VanDerWaalsContact C-N 3.34Å; Q309-N334 WeakPolarHBondContact CA-ND2 3.47Å |
| 310 | G | 94 | Very high | 95.4 | Very high | 41 Ų | 41 | 36.6 Ų | 36.6 | 42% | 0.423 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -21 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L308 A312 | L308-G310 PolarHBondContact O-N 3.01Å; G310-A312 PolarHBondContact O-N 3.23Å |
| 311 | V | 97.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | trans | -78.6 | 118.4 | 173.6 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | F284 I290 L308 M314 V335 | F284-V311 HydrophobicContact CB-CG2 3.85Å; F284-V311 WeakPolarHBondContact O-CG2 3.48Å; I290-V311 HydrophobicContact CD1-CG1 3.93Å; I290-V311 HydrophobicContact CD1-CG2 3.92Å; I290-V311 HydrophobicContact CG1-CG1 4.15Å; L308-V311 HydrophobicContact CD2-CG2 4.34Å; L308-V311 WeakPolarHBondContact O-CB 3.39Å; L308-V311 PolarHBondContact O-N 2.99Å; L308-V311 VanDerWaalsContact O-N 3.09Å; V311-M314 HydrophobicContact CG1-CE 4.36Å; V311-V335 HydrophobicContact CB-CG1 4.41Å; V311-V335 HydrophobicContact CG1-CG1 3.97Å | ||
| 312 | A | 96.5 | Very high | 95.3 | Very high | 46 Ų | 46 | 32.5 Ų | 32.5 | 38% | 0.38 | 19% | 0.193 | S | C | . | . | trans | -86.4 | -37.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R288 G310 | R288-A312 HydrophobicContact CG-CB 3.88Å; R288-A312 WeakPolarHBondContact O-CA 3.33Å; R288-A312 WeakPolarHBondContact O-CB 3.35Å; R288-A312 PolarHBondContact O-N 2.99Å; G310-A312 PolarHBondContact O-N 3.23Å | ||
| 313 | T | 97.7 | Very high | 95.3 | Very high | 50 Ų | 50 | 32.5 Ų | 32.5 | 31% | 0.307 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 142.7 | 175 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | R288 H289 I290 S338 | R288-T313 PolarHBondContact O-N 2.81Å; H289-T313 WeakPolarHBondContact CA-O 3.16Å; H289-T313 PolarHBondContact ND1-OG1 3.13Å; I290-T313 PolarHBondContact N-O 2.89Å; T313-S338 WeakPolarHBondContact CA-OG 3.16Å |
| 314 | M | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 137.1 | 171.6 | -172.7 | 176.5 | -74 | 0 | 0 | 110.3 | I290 L293 L308 V311 L317 V335 S338 L339 | I290-M314 HydrophobicContact CB-CB 4.48Å; I290-M314 HydrophobicContact CB-CE 4.11Å; I290-M314 HydrophobicContact CB-CG 4.21Å; I290-M314 HydrophobicContact CD1-CE 3.63Å; I290-M314 HydrophobicContact CG1-CE 4.44Å; I290-M314 HydrophobicContact CG2-CE 4.08Å; I290-M314 HydrophobicContact CG2-CG 4.14Å; I290-M314 CarbonylContact O-C 3.2Å; I290-M314 WeakPolarHBondContact O-CA 3.36Å; L293-M314 HydrophobicContact CB-CE 4.11Å; L293-M314 HydrophobicContact CB-SD 4.39Å; L293-M314 HydrophobicContact CD2-CE 3.74Å; L308-M314 HydrophobicContact CD1-CE 4.33Å; L308-M314 HydrophobicContact CD2-CE 3.59Å; V311-M314 HydrophobicContact CG1-CE 4.36Å; M314-L317 HydrophobicContact SD-CB 3.8Å; M314-L317 HydrophobicContact SD-CD1 4.2Å; M314-L317 HydrophobicContact SD-CD2 4.3Å; M314-L317 HydrophobicContact SD-CG 4.32Å; M314-V335 HydrophobicContact CB-CB 3.97Å; M314-V335 HydrophobicContact CB-CG1 3.67Å; M314-S338 PolarHBondContact N-OG 3.02Å; M314-S338 CarbonylContact O-C 3.28Å; M314-S338 WeakPolarHBondContact O-CB 3.39Å; M314-S338 PolarHBondContact O-OG 2.76Å; M314-L339 HydrophobicContact CB-CD1 4.26Å; M314-L339 HydrophobicContact CG-CD1 3.85Å; M314-L339 WeakPolarHBondContact O-CA 3.19Å; M314-L339 PolarHBondContact O-N 2.9Å; M314-L339 VanDerWaalsContact O-N 3.1Å; M314-L339 HydrophobicContact SD-CD1 4.01Å |
| 315 | T | 98.4 | Very high | 95 | Very high | 49 Ų | 49 | 31.7 Ų | 31.7 | 30% | 0.301 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -43.9 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 113 | I290 E291 K340 K341 | I290-T315 PolarHBondContact O-N 3.08Å; I290-T315 VanDerWaalsContact O-N 3.11Å; E291-T315 CarbonylContact O-C 3.48Å; E291-T315 WeakPolarHBondContact O-CA 3.11Å; E291-T315 WeakPolarHBondContact O-CB 3.47Å; E291-T315 PolarHBondContact O-N 3.34Å; T315-K340 HydrophobicContact CG2-CB 4.39Å; T315-K340 HydrophobicContact CG2-CD 4.29Å; T315-K340 PolarHBondContact O-N 2.82Å; T315-K341 PolarHBondContact O-N 2.96Å; T315-K341 VanDerWaalsContact O-N 3.13Å |
| 316 | S | 98.7 | Very high | 95 | Very high | 24 Ų | 24 | 35.7 Ų | 35.7 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 139.8 | -178.8 | -166.5 | 0 | 0 | 0 | 0 | 111.5 | E291 N292 L293 K341 | E291-S316 PolarHBondContact O-N 3.31Å; N292-S316 WeakPolarHBondContact CA-O 3.04Å; N292-S316 WeakPolarHBondContact OD1-CB 3.41Å; L293-S316 PolarHBondContact N-O 3.08Å; S316-K341 WeakPolarHBondContact CA-O 3.29Å |
| 317 | L | 98.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 126.4 | 175 | 178.5 | 58 | 0 | 0 | 0 | 110.2 | L293 L295 M314 L319 F332 L339 K341 L342 S343 | L293-L317 HydrophobicContact CB-CD1 3.97Å; L293-L317 HydrophobicContact CD2-CD1 3.87Å; L293-L317 HydrophobicContact CG-CD1 3.89Å; L293-L317 WeakPolarHBondContact O-CA 3.47Å; L295-L317 HydrophobicContact CD1-CD1 4.4Å; M314-L317 HydrophobicContact SD-CB 3.8Å; M314-L317 HydrophobicContact SD-CD1 4.2Å; M314-L317 HydrophobicContact SD-CD2 4.3Å; M314-L317 HydrophobicContact SD-CG 4.32Å; L317-L319 HydrophobicContact CD1-CD2 4.2Å; L317-L319 HydrophobicContact CD1-CG 4.23Å; L317-L319 HydrophobicContact CD2-CD1 4.02Å; L317-L319 HydrophobicContact CD2-CG 4.24Å; L317-L319 HydrophobicContact CG-CD1 4.33Å; L317-L319 HydrophobicContact CG-CG 4.02Å; L317-F332 HydrophobicContact CD2-CD1 4.31Å; L317-F332 HydrophobicContact CD2-CE1 3.56Å; L317-F332 HydrophobicContact CD2-CZ 4.25Å; L317-L339 HydrophobicContact CB-CD1 3.84Å; L317-L339 HydrophobicContact CB-CD2 4.48Å; L317-K341 PolarHBondContact N-O 3.13Å; L317-L342 HydrophobicContact CB-CD1 4.03Å; L317-L342 HydrophobicContact CD2-CD1 4Å; L317-L342 HydrophobicContact CG-CD1 4.02Å; L317-L342 WeakPolarHBondContact O-CA 3.38Å; L317-S343 PolarHBondContact O-N 2.93Å |
| 318 | D | 97.9 | Very high | 94.9 | Very high | 43 Ų | 43 | 32.1 Ų | 32.1 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 117.2 | 172.9 | -157.7 | -34.5 | 0 | 0 | 0 | 110.6 | L293 D294 L295 S320 S343 | L293-D318 PolarHBondContact O-N 3.07Å; D294-D318 HydrophobicContact CB-CB 4.49Å; L295-D318 PolarHBondContact N-O 3.26Å; D318-S320 WeakPolarHBondContact OD1-CB 3.33Å; D318-S320 PolarHBondContact OD1-N 2.88Å; D318-S320 PolarHBondContact OD1-OG 3.18Å; D318-S343 WeakPolarHBondContact OD1-CB 3.37Å |
| 319 | L | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -117.7 | 16.4 | 174.8 | -62.3 | 170.7 | 0 | 0 | 0 | 111 | L295 M300 L317 N322 L324 F332 S343 L344 N347 | L295-L319 HydrophobicContact CB-CD2 4.09Å; L295-L319 HydrophobicContact CD1-CD2 3.86Å; M300-L319 HydrophobicContact CE-CD2 3.93Å; L317-L319 HydrophobicContact CD1-CD2 4.2Å; L317-L319 HydrophobicContact CD1-CG 4.23Å; L317-L319 HydrophobicContact CD2-CD1 4.02Å; L317-L319 HydrophobicContact CD2-CG 4.24Å; L317-L319 HydrophobicContact CG-CD1 4.33Å; L317-L319 HydrophobicContact CG-CG 4.02Å; L319-N322 PolarHBondContact O-ND2 2.82Å; L319-L324 HydrophobicContact CB-CD1 4.13Å; L319-L324 HydrophobicContact CD1-CD1 4.36Å; L319-F332 HydrophobicContact CD1-CZ 4.31Å; L319-S343 PolarHBondContact N-O 2.97Å; L319-L344 HydrophobicContact CB-CD2 4.08Å; L319-L344 HydrophobicContact CD1-CD2 3.95Å; L319-N347 PolarHBondContact O-ND2 3.01Å | ||
| 320 | S | 90.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | trans | -65.6 | 164 | -175.5 | 62.7 | 0 | 0 | 0 | 0 | 113 | S296 Y297 D318 N322 E345 | S296-S320 WeakPolarHBondContact CA-O 3.38Å; S296-S320 WeakPolarHBondContact CB-O 3.44Å; S296-S320 WeakPolarHBondContact CB-OG 3.13Å; Y297-S320 PolarHBondContact N-O 3.37Å; D318-S320 WeakPolarHBondContact OD1-CB 3.33Å; D318-S320 PolarHBondContact OD1-N 2.88Å; D318-S320 PolarHBondContact OD1-OG 3.18Å; S320-N322 VanDerWaalsContact C-N 3.33Å; S320-N322 PolarHBondContact O-N 3.38Å; S320-N322 PolarHBondContact O-ND2 3.43Å; S320-E345 CarbonylContact C-O 3.13Å; S320-E345 WeakPolarHBondContact CA-O 3.39Å; S320-E345 WeakPolarHBondContact CB-O 3.4Å | ||
| 321 | H | 87.5 | Confident | 94.3 | Very high | 34 Ų | 34 | 34.3 Ų | 34.3 | 16% | 0.157 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 52.8 | 49.6 | 176.5 | -62.1 | -81.7 | 0 | 0 | 0 | 112.9 | Y297 E345 E346 | Y297-H321 VanDerWaalsContact CA-O 3.31Å; Y297-H321 WeakPolarHBondContact CA-O 3.3Å; Y297-H321 HydrophobicContact CD1-CB 3.82Å; Y297-H321 HydrophobicContact CD2-CB 4.11Å; Y297-H321 HydrophobicContact CE1-CB 3.96Å; Y297-H321 AromaticContact CE1-CD2 3.96Å; Y297-H321 AromaticContact CE1-CG 3.66Å; Y297-H321 AromaticContact CE1-ND1 3.79Å; Y297-H321 HydrophobicContact CE2-CB 4.21Å; Y297-H321 AromaticContact CE2-CD2 3.41Å; Y297-H321 VanDerWaalsContact CE2-CD2 3.41Å; Y297-H321 WeakPolarHBondContact CE2-CD2 3.44Å; Y297-H321 AromaticContact CE2-CG 3.86Å; Y297-H321 AromaticContact CE2-NE2 3.95Å; Y297-H321 HydrophobicContact CG-CB 3.91Å; Y297-H321 AromaticContact CZ-CD2 3.33Å; Y297-H321 AromaticContact CZ-CE1 3.81Å; Y297-H321 AromaticContact CZ-CG 3.54Å; Y297-H321 AromaticContact CZ-ND1 3.85Å; Y297-H321 AromaticContact CZ-NE2 3.51Å; Y297-H321 PolarHBondContact N-O 2.96Å; Y297-H321 PolarHBondContact OH-CD2 3.1Å; Y297-H321 PolarHBondContact OH-CE1 3.11Å; Y297-H321 PolarHBondContact OH-NE2 3.48Å; H321-E345 PolarHBondContact N-O 3.14Å; H321-E346 VanDerWaalsContact CA-O 3.27Å; H321-E346 WeakPolarHBondContact CA-O 3.34Å; H321-E346 VanDerWaalsContact CE1-CG 3.5Å; H321-E346 WeakPolarHBondContact CE1-CG 3.41Å; H321-E346 PolarHBondContact N-O 2.57Å; H321-E346 WeakPolarHBondContact ND1-CB 3.3Å |
| 322 | N | 87.3 | Confident | 94.2 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.043 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -126.1 | -162.7 | 175.7 | -85 | -81.2 | 0 | 0 | 0 | 109.1 | L295 N298 I299 M300 L319 S320 L324 E346 N347 | L295-N322 PolarHBondContact O-ND2 2.99Å; N298-N322 WeakPolarHBondContact CA-OD1 3.14Å; N298-N322 WeakPolarHBondContact CB-OD1 3.42Å; N298-N322 PolarHBondContact O-OD1 3.24Å; I299-N322 PolarHBondContact N-OD1 3.28Å; M300-N322 HydrophobicContact CB-CB 4.27Å; M300-N322 VanDerWaalsContact CB-OD1 3.3Å; M300-N322 WeakPolarHBondContact CB-OD1 3.39Å; M300-N322 HydrophobicContact CE-CB 4.36Å; M300-N322 WeakPolarHBondContact CE-ND2 3.5Å; M300-N322 VanDerWaalsContact CE-OD1 3.24Å; M300-N322 WeakPolarHBondContact CE-OD1 3.34Å; M300-N322 WeakPolarHBondContact CG-OD1 3.49Å; M300-N322 PolarHBondContact N-OD1 2.94Å; L319-N322 PolarHBondContact O-ND2 2.82Å; S320-N322 VanDerWaalsContact C-N 3.33Å; S320-N322 PolarHBondContact O-N 3.38Å; S320-N322 PolarHBondContact O-ND2 3.43Å; N322-L324 HydrophobicContact CB-CG 4.27Å; N322-E346 PolarHBondContact N-O 3.4Å; N322-N347 VanDerWaalsContact C-OD1 3.27Å; N322-N347 WeakPolarHBondContact CB-OD1 3.16Å |
| 323 | R | 90.1 | Very high | 94 | Very high | 78 Ų | 78 | 35.7 Ų | 35.7 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | trans | -123.4 | 34.1 | 178.6 | -57.1 | -176.1 | -175.7 | -174.5 | 3.7 | 111.2 | M300 K301 S325 H1114 | M300-R323 CarbonylContact O-C 3.29Å; M300-R323 VanDerWaalsContact O-CA 3.27Å; M300-R323 WeakPolarHBondContact O-CA 3.09Å; M300-R323 WeakPolarHBondContact O-CB 3.3Å; M300-R323 PolarHBondContact O-N 3.22Å; K301-R323 HydrophobicContact CG-CB 4.22Å; R323-S325 PolarHBondContact O-N 3.34Å; R323-H1114 PolarHBondContact NE-CE1 2.92Å; R323-H1114 PolarHBondContact NE-NE2 2.97Å; R323-H1114 PolarHBondContact NH2-CE1 3.05Å; R323-H1114 PolarHBondContact NH2-NE2 2.95Å; R323-H1114 VanDerWaalsContact NH2-NE2 3.15Å | ||
| 324 | L | 93.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -78.1 | 121.3 | -178 | -61.2 | 171 | 0 | 0 | 0 | 109.2 | M300 V303 L319 N322 L327 N347 D348 F349 | M300-L324 HydrophobicContact CB-CD2 4.1Å; M300-L324 HydrophobicContact CB-CG 4.47Å; M300-L324 PolarHBondContact O-N 3.05Å; V303-L324 HydrophobicContact CG1-CD2 4.13Å; L319-L324 HydrophobicContact CB-CD1 4.13Å; L319-L324 HydrophobicContact CD1-CD1 4.36Å; N322-L324 HydrophobicContact CB-CG 4.27Å; L324-L327 HydrophobicContact CD1-CD2 4.37Å; L324-N347 VanDerWaalsContact CB-OD1 3.29Å; L324-N347 WeakPolarHBondContact CB-OD1 3.42Å; L324-N347 PolarHBondContact N-OD1 3.26Å; L324-D348 CarbonylContact O-C 3.41Å; L324-D348 WeakPolarHBondContact O-CA 3.43Å; L324-D348 PolarHBondContact O-N 3.23Å; L324-F349 HydrophobicContact CB-CE1 4.36Å; L324-F349 HydrophobicContact CB-CE2 3.99Å; L324-F349 HydrophobicContact CB-CZ 3.6Å | ||
| 325 | S | 91.8 | Very high | 93.7 | Very high | 75 Ų | 75 | 37.3 Ų | 37.3 | 52% | 0.524 | 20% | 0.201 | S | C | . | . | trans | -107.1 | -11.7 | 169.8 | 56.1 | 0 | 0 | 0 | 0 | 112.7 | R323 F349 | R323-S325 PolarHBondContact O-N 3.34Å; S325-F349 WeakPolarHBondContact O-CD1 3.46Å | ||
| 326 | F | 92.8 | Very high | 93.5 | Very high | 126 Ų | 126 | 35.3 Ų | 35.3 | 55% | 0.553 | 19% | 0.19 | S | C | * | . | trans | -149.6 | 141.7 | -175.7 | 178.3 | -105.1 | 0 | 0 | 0 | 111.7 | P328 | F326-P328 HydrophobicContact CD1-CG 4.5Å; F326-P328 HydrophobicContact CE1-CB 4.29Å; F326-P328 HydrophobicContact CE1-CG 3.97Å | ||
| 327 | L | 95 | Very high | 93.3 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | trans | -124.3 | 125.6 | 168.3 | -69.4 | 173.1 | 0 | 0 | 0 | 108.8 | V303 L324 F332 L344 F349 P353 A355 | V303-L327 HydrophobicContact CG2-CD2 3.52Å; L324-L327 HydrophobicContact CD1-CD2 4.37Å; L327-F332 HydrophobicContact CD1-CE2 3.91Å; L327-F332 HydrophobicContact CD1-CZ 3.86Å; L327-L344 HydrophobicContact CD1-CD2 4.17Å; L327-F349 HydrophobicContact CD1-CE1 4.43Å; L327-F349 HydrophobicContact CD1-CZ 4Å; L327-F349 HydrophobicContact CG-CE1 4.05Å; L327-F349 HydrophobicContact CG-CZ 3.85Å; L327-P353 HydrophobicContact CB-CB 4.09Å; L327-P353 HydrophobicContact CD1-CB 4.2Å; L327-P353 HydrophobicContact CD1-CG 4.19Å; L327-P353 HydrophobicContact CG-CB 4.49Å; L327-A355 HydrophobicContact CB-CB 3.61Å | ||
| 328 | P | 95.5 | Very high | 93.3 | Very high | 21 Ų | 21 | 40 Ų | 40 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | trans | -55.8 | 141.4 | 176.5 | -25.6 | 31.7 | 0 | 0 | 0 | 113.3 | V303 F326 N330 S331 A355 | V303-P328 WeakPolarHBondContact O-CG 3.36Å; F326-P328 HydrophobicContact CD1-CG 4.5Å; F326-P328 HydrophobicContact CE1-CB 4.29Å; F326-P328 HydrophobicContact CE1-CG 3.97Å; P328-N330 PolarHBondContact O-N 3.3Å; P328-S331 WeakPolarHBondContact CD-OG 3.47Å; P328-S331 VanDerWaalsContact O-CB 3.32Å; P328-S331 WeakPolarHBondContact O-CB 3.38Å; P328-S331 PolarHBondContact O-N 2.69Å; P328-S331 PolarHBondContact O-OG 2.97Å; P328-A355 WeakPolarHBondContact O-CB 3.2Å | ||
| 329 | P | 89.1 | Confident | 93.3 | Very high | 56 Ų | 56 | 38 Ų | 38 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -20.8 | -173 | -29.8 | 35.7 | 0 | 0 | 0 | 117 | E354 | P329-E354 HydrophobicContact CB-CG 4.36Å; P329-E354 HydrophobicContact CG-CG 4.49Å |
| 330 | N | 90.8 | Very high | 93.3 | Very high | 98 Ų | 98 | 43 Ų | 43 | 52% | 0.524 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 2.2 | -177 | -67.1 | -36.4 | 0 | 0 | 0 | 114.3 | S305 P328 F332 N333 | S305-N330 CarbonylContact O-C 3.47Å; P328-N330 PolarHBondContact O-N 3.3Å; N330-F332 PolarHBondContact O-N 2.82Å; N330-N333 WeakPolarHBondContact CB-ND2 3.39Å; N330-N333 PolarHBondContact O-N 3.47Å; N330-N333 VanDerWaalsContact O-N 3.13Å; N330-N333 PolarHBondContact OD1-ND2 3Å |
| 331 | S | 94.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -29.6 | -172.9 | -74.1 | 0 | 0 | 0 | 0 | 115 | S305 P328 | S305-S331 VanDerWaalsContact O-CA 3.31Å; S305-S331 WeakPolarHBondContact O-CA 3.08Å; P328-S331 WeakPolarHBondContact CD-OG 3.47Å; P328-S331 VanDerWaalsContact O-CB 3.32Å; P328-S331 WeakPolarHBondContact O-CB 3.38Å; P328-S331 PolarHBondContact O-N 2.69Å; P328-S331 PolarHBondContact O-OG 2.97Å |
| 332 | F | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 10.5 | -176.2 | -53.7 | -52 | 0 | 0 | 0 | 114.7 | F307 L308 L317 L319 L327 N330 N334 V335 A336 L342 A355 L356 L359 | F307-F332 HydrophobicContact CE1-CE1 4.18Å; F307-F332 HydrophobicContact CZ-CE1 4.01Å; L308-F332 HydrophobicContact CD1-CD1 3.94Å; L317-F332 HydrophobicContact CD2-CD1 4.31Å; L317-F332 HydrophobicContact CD2-CE1 3.56Å; L317-F332 HydrophobicContact CD2-CZ 4.25Å; L319-F332 HydrophobicContact CD1-CZ 4.31Å; L327-F332 HydrophobicContact CD1-CE2 3.91Å; L327-F332 HydrophobicContact CD1-CZ 3.86Å; N330-F332 PolarHBondContact O-N 2.82Å; F332-N334 VanDerWaalsContact C-N 3.26Å; F332-N334 PolarHBondContact O-N 2.92Å; F332-V335 HydrophobicContact CB-CG2 4.21Å; F332-V335 CarbonylContact O-C 3.47Å; F332-V335 PolarHBondContact O-N 2.96Å; F332-V335 VanDerWaalsContact O-N 3.09Å; F332-A336 PolarHBondContact O-N 2.74Å; F332-L342 HydrophobicContact CE2-CD2 4.24Å; F332-L342 HydrophobicContact CZ-CD1 4.49Å; F332-L342 HydrophobicContact CZ-CD2 4.49Å; F332-A355 HydrophobicContact CD2-CB 4.05Å; F332-A355 WeakPolarHBondContact CD2-O 3.49Å; F332-A355 HydrophobicContact CE2-CB 4.02Å; F332-L356 HydrophobicContact CE2-CD1 4.09Å; F332-L359 HydrophobicContact CB-CD2 3.5Å; F332-L359 VanDerWaalsContact CB-CD2 3.5Å; F332-L359 HydrophobicContact CB-CG 4.3Å; F332-L359 HydrophobicContact CD2-CD1 4.05Å; F332-L359 HydrophobicContact CD2-CD2 4.29Å; F332-L359 HydrophobicContact CD2-CG 4.36Å; F332-L359 HydrophobicContact CG-CD2 4.1Å |
| 333 | N | 92.4 | Very high | 94.7 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -55 | -40.2 | -174.3 | -79.5 | -6.1 | 0 | 0 | 0 | 113.1 | N330 V335 A336 | N330-N333 WeakPolarHBondContact CB-ND2 3.39Å; N330-N333 PolarHBondContact O-N 3.47Å; N330-N333 VanDerWaalsContact O-N 3.13Å; N330-N333 PolarHBondContact OD1-ND2 3Å; N333-V335 VanDerWaalsContact C-N 3.3Å; N333-V335 PolarHBondContact O-N 2.82Å; N333-A336 WeakPolarHBondContact O-CB 3.47Å; N333-A336 PolarHBondContact O-N 3.01Å |
| 334 | N | 94.1 | Very high | 95.1 | Very high | 85 Ų | 85 | 42.1 Ų | 42.1 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -68.7 | -26.9 | -177.6 | -71 | 12.9 | 0 | 0 | 0 | 114 | L308 Q309 F332 | L308-N334 PolarHBondContact O-ND2 2.68Å; Q309-N334 WeakPolarHBondContact CA-ND2 3.47Å; F332-N334 VanDerWaalsContact C-N 3.26Å; F332-N334 PolarHBondContact O-N 2.92Å |
| 335 | V | 96 | Very high | 95 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -112.7 | 10.6 | -176.1 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | L308 V311 M314 F332 N333 D337 S338 L339 | L308-V335 HydrophobicContact CD1-CG1 4.35Å; L308-V335 HydrophobicContact CD1-CG2 3.7Å; V311-V335 HydrophobicContact CB-CG1 4.41Å; V311-V335 HydrophobicContact CG1-CG1 3.97Å; M314-V335 HydrophobicContact CB-CB 3.97Å; M314-V335 HydrophobicContact CB-CG1 3.67Å; F332-V335 HydrophobicContact CB-CG2 4.21Å; F332-V335 CarbonylContact O-C 3.47Å; F332-V335 PolarHBondContact O-N 2.96Å; F332-V335 VanDerWaalsContact O-N 3.09Å; N333-V335 VanDerWaalsContact C-N 3.3Å; N333-V335 PolarHBondContact O-N 2.82Å; V335-D337 VanDerWaalsContact C-N 3.25Å; V335-D337 PolarHBondContact O-N 2.92Å; V335-S338 PolarHBondContact O-N 2.85Å; V335-S338 PolarHBondContact O-OG 2.88Å; V335-L339 HydrophobicContact CG2-CB 4.31Å; V335-L339 WeakPolarHBondContact O-CB 3.47Å; V335-L339 PolarHBondContact O-N 2.97Å |
| 336 | A | 94.1 | Very high | 94.8 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -37.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F332 N333 P358 L359 R360 S361 | F332-A336 PolarHBondContact O-N 2.74Å; N333-A336 WeakPolarHBondContact O-CB 3.47Å; N333-A336 PolarHBondContact O-N 3.01Å; A336-P358 HydrophobicContact CB-CB 3.97Å; A336-P358 WeakPolarHBondContact CB-O 3.38Å; A336-L359 CarbonylContact O-C 3.53Å; A336-R360 PolarHBondContact O-N 3.39Å; A336-S361 PolarHBondContact O-N 2.81Å |
| 337 | D | 95.1 | Very high | 94.6 | Very high | 103 Ų | 103 | 36.1 Ų | 36.1 | 55% | 0.551 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -2.2 | -179 | -63.3 | -45.3 | 0 | 0 | 0 | 113 | V335 R360 S361 | V335-D337 VanDerWaalsContact C-N 3.25Å; V335-D337 PolarHBondContact O-N 2.92Å; D337-R360 IonicContact OD1-CZ 3.39Å; D337-R360 IonicContact OD1-NH1 3.95Å; D337-R360 PolarHBondContact OD1-NH1 2.9Å; D337-R360 IonicContact OD2-NH1 3.75Å; D337-S361 WeakPolarHBondContact O-CB 3.45Å; D337-S361 PolarHBondContact O-OG 2.69Å |
| 338 | S | 97.5 | Very high | 94.4 | Very high | 21 Ų | 21 | 38 Ų | 38 | 15% | 0.147 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -32.3 | -178.6 | 66.6 | 0 | 0 | 0 | 0 | 114.6 | T313 M314 V335 K340 | T313-S338 WeakPolarHBondContact CA-OG 3.16Å; M314-S338 PolarHBondContact N-OG 3.02Å; M314-S338 CarbonylContact O-C 3.28Å; M314-S338 WeakPolarHBondContact O-CB 3.39Å; M314-S338 PolarHBondContact O-OG 2.76Å; V335-S338 PolarHBondContact O-N 2.85Å; V335-S338 PolarHBondContact O-OG 2.88Å; S338-K340 WeakPolarHBondContact O-CG 3.35Å; S338-K340 PolarHBondContact O-N 2.73Å |
| 339 | L | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -68.7 | 114.8 | -171.5 | -171.7 | 67.7 | 0 | 0 | 0 | 110.8 | M314 L317 V335 L342 L359 S361 L362 | M314-L339 HydrophobicContact CB-CD1 4.26Å; M314-L339 HydrophobicContact CG-CD1 3.85Å; M314-L339 WeakPolarHBondContact O-CA 3.19Å; M314-L339 PolarHBondContact O-N 2.9Å; M314-L339 VanDerWaalsContact O-N 3.1Å; M314-L339 HydrophobicContact SD-CD1 4.01Å; L317-L339 HydrophobicContact CB-CD1 3.84Å; L317-L339 HydrophobicContact CB-CD2 4.48Å; V335-L339 HydrophobicContact CG2-CB 4.31Å; V335-L339 WeakPolarHBondContact O-CB 3.47Å; V335-L339 PolarHBondContact O-N 2.97Å; L339-L342 HydrophobicContact CD2-CB 4.49Å; L339-L359 HydrophobicContact CB-CD2 4.22Å; L339-L359 HydrophobicContact CD2-CD1 4.16Å; L339-L359 HydrophobicContact CD2-CD2 3.88Å; L339-S361 CarbonylContact O-C 3.5Å; L339-L362 WeakPolarHBondContact O-CA 3.39Å; L339-L362 PolarHBondContact O-N 3.03Å | ||
| 340 | K | 98.5 | Very high | 94.4 | Very high | 106 Ų | 106 | 39.7 Ų | 39.7 | 46% | 0.461 | 20% | 0.204 | S | C | . | . | trans | -101.1 | -28.2 | -176.4 | -66.1 | -176.7 | -173.6 | 170 | 0 | 113.2 | T315 S338 T363 H364 | T315-K340 HydrophobicContact CG2-CB 4.39Å; T315-K340 HydrophobicContact CG2-CD 4.29Å; T315-K340 PolarHBondContact O-N 2.82Å; S338-K340 WeakPolarHBondContact O-CG 3.35Å; S338-K340 PolarHBondContact O-N 2.73Å; K340-T363 PolarHBondContact O-N 2.88Å; K340-T363 PolarHBondContact O-OG1 2.77Å; K340-H364 PolarHBondContact O-N 2.85Å | ||
| 341 | K | 98.7 | Very high | 94.4 | Very high | 89 Ų | 89 | 37.9 Ų | 37.9 | 39% | 0.387 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.7 | -176.8 | -59.1 | -172.6 | 175 | -176.4 | 0 | 110.5 | T315 S316 L317 H364 | T315-K341 PolarHBondContact O-N 2.96Å; T315-K341 VanDerWaalsContact O-N 3.13Å; S316-K341 WeakPolarHBondContact CA-O 3.29Å; L317-K341 PolarHBondContact N-O 3.13Å; K341-H364 WeakPolarHBondContact CA-O 3.44Å; K341-H364 HydrophobicContact CB-CB 4.47Å; K341-H364 HydrophobicContact CG-CB 4.06Å |
| 342 | L | 98.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.7 | 177.3 | 178.8 | 60.6 | 0 | 0 | 0 | 109.7 | L317 F332 L339 L344 L356 L359 L362 H364 L365 N366 | L317-L342 HydrophobicContact CB-CD1 4.03Å; L317-L342 HydrophobicContact CD2-CD1 4Å; L317-L342 HydrophobicContact CG-CD1 4.02Å; L317-L342 WeakPolarHBondContact O-CA 3.38Å; F332-L342 HydrophobicContact CE2-CD2 4.24Å; F332-L342 HydrophobicContact CZ-CD1 4.49Å; F332-L342 HydrophobicContact CZ-CD2 4.49Å; L339-L342 HydrophobicContact CD2-CB 4.49Å; L342-L344 HydrophobicContact CD1-CD2 4.12Å; L342-L344 HydrophobicContact CD1-CG 4.45Å; L342-L344 HydrophobicContact CD2-CD1 4.24Å; L342-L344 HydrophobicContact CD2-CG 4.3Å; L342-L344 HydrophobicContact CG-CD2 4.3Å; L342-L344 HydrophobicContact CG-CG 4.1Å; L342-L356 HydrophobicContact CD2-CD1 4.09Å; L342-L356 HydrophobicContact CD2-CD2 4.19Å; L342-L356 HydrophobicContact CD2-CG 3.97Å; L342-L359 HydrophobicContact CD2-CD1 4.01Å; L342-L362 HydrophobicContact CB-CD1 3.81Å; L342-H364 PolarHBondContact N-O 2.89Å; L342-L365 HydrophobicContact CB-CD1 4.18Å; L342-L365 HydrophobicContact CD2-CD1 4.14Å; L342-L365 HydrophobicContact CG-CD1 4.2Å; L342-L365 WeakPolarHBondContact O-CA 3.41Å; L342-N366 PolarHBondContact O-N 2.86Å |
| 343 | S | 98.1 | Very high | 94.1 | Very high | 13 Ų | 13 | 39 Ų | 39 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.8 | 171.3 | -170.6 | 0 | 0 | 0 | 0 | 110.7 | L317 D318 L319 N366 | L317-S343 PolarHBondContact O-N 2.93Å; D318-S343 WeakPolarHBondContact OD1-CB 3.37Å; L319-S343 PolarHBondContact N-O 2.97Å; S343-N366 PolarHBondContact OG-ND2 2.78Å |
| 344 | L | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -125 | 16 | 175.8 | -59.6 | 179 | 0 | 0 | 0 | 110.7 | L319 L327 L342 N347 F349 P353 L356 N366 I367 N370 | L319-L344 HydrophobicContact CB-CD2 4.08Å; L319-L344 HydrophobicContact CD1-CD2 3.95Å; L327-L344 HydrophobicContact CD1-CD2 4.17Å; L342-L344 HydrophobicContact CD1-CD2 4.12Å; L342-L344 HydrophobicContact CD1-CG 4.45Å; L342-L344 HydrophobicContact CD2-CD1 4.24Å; L342-L344 HydrophobicContact CD2-CG 4.3Å; L342-L344 HydrophobicContact CG-CD2 4.3Å; L342-L344 HydrophobicContact CG-CG 4.1Å; L344-N347 PolarHBondContact O-ND2 3.05Å; L344-F349 HydrophobicContact CB-CD2 4.41Å; L344-F349 HydrophobicContact CB-CE2 4.13Å; L344-F349 HydrophobicContact CD1-CE2 4.29Å; L344-F349 HydrophobicContact CD2-CE2 4.19Å; L344-F349 HydrophobicContact CG-CE2 4.44Å; L344-P353 HydrophobicContact CD1-CG 4.25Å; L344-L356 HydrophobicContact CD1-CD1 4.23Å; L344-N366 PolarHBondContact N-O 3.17Å; L344-I367 HydrophobicContact CB-CB 4.5Å; L344-I367 HydrophobicContact CB-CG1 4.13Å; L344-I367 HydrophobicContact CD1-CD1 4.12Å; L344-N370 PolarHBondContact O-ND2 3.39Å | ||
| 345 | E | 92.2 | Very high | 94 | Very high | 35 Ų | 35 | 36 Ų | 36 | 16% | 0.164 | 19% | 0.191 | C | C | . | . | trans | -53.3 | 145.5 | -180 | 170.4 | 172.7 | -177.8 | 0 | 0 | 111.7 | S320 H321 N347 N366 I368 | S320-E345 CarbonylContact C-O 3.13Å; S320-E345 WeakPolarHBondContact CA-O 3.39Å; S320-E345 WeakPolarHBondContact CB-O 3.4Å; H321-E345 PolarHBondContact N-O 3.14Å; E345-N347 PolarHBondContact O-ND2 2.83Å; E345-N347 VanDerWaalsContact O-ND2 3.13Å; E345-N366 PolarHBondContact OE2-ND2 2.92Å; E345-I368 CarbonylContact C-O 3.2Å; E345-I368 VanDerWaalsContact CA-O 3.25Å; E345-I368 WeakPolarHBondContact CA-O 3.49Å; E345-I368 HydrophobicContact CB-CB 4.36Å; E345-I368 HydrophobicContact CG-CB 4.03Å; E345-I368 HydrophobicContact CG-CG2 4.27Å | ||
| 346 | E | 87.6 | Confident | 93.9 | Very high | 32 Ų | 32 | 36 Ų | 36 | 15% | 0.15 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 54.5 | 62.8 | 173.4 | -66.5 | -75.7 | 178.5 | 0 | 0 | 112.1 | H321 N322 I368 S369 | H321-E346 VanDerWaalsContact CA-O 3.27Å; H321-E346 WeakPolarHBondContact CA-O 3.34Å; H321-E346 VanDerWaalsContact CE1-CG 3.5Å; H321-E346 WeakPolarHBondContact CE1-CG 3.41Å; H321-E346 PolarHBondContact N-O 2.57Å; H321-E346 WeakPolarHBondContact ND1-CB 3.3Å; N322-E346 PolarHBondContact N-O 3.4Å; E346-I368 PolarHBondContact N-O 2.85Å; E346-S369 WeakPolarHBondContact CA-O 3.42Å; E346-S369 PolarHBondContact N-O 3.32Å; E346-S369 WeakPolarHBondContact OE1-CB 3.44Å; E346-S369 PolarHBondContact OE1-OG 3.25Å |
| 347 | N | 88.8 | Confident | 93.7 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -136 | -172.5 | 175.4 | -87 | -78.8 | 0 | 0 | 0 | 109.5 | L319 N322 L324 L344 E345 F349 N370 | L319-N347 PolarHBondContact O-ND2 3.01Å; N322-N347 VanDerWaalsContact C-OD1 3.27Å; N322-N347 WeakPolarHBondContact CB-OD1 3.16Å; L324-N347 VanDerWaalsContact CB-OD1 3.29Å; L324-N347 WeakPolarHBondContact CB-OD1 3.42Å; L324-N347 PolarHBondContact N-OD1 3.26Å; L344-N347 PolarHBondContact O-ND2 3.05Å; E345-N347 PolarHBondContact O-ND2 2.83Å; E345-N347 VanDerWaalsContact O-ND2 3.13Å; N347-F349 HydrophobicContact CB-CD2 3.67Å; N347-F349 HydrophobicContact CB-CE2 3.72Å; N347-N370 WeakPolarHBondContact CB-OD1 3.46Å; N347-N370 PolarHBondContact O-OD1 3.35Å |
| 348 | D | 90.8 | Very high | 93.5 | Very high | 40 Ų | 40 | 33 Ų | 33 | 21% | 0.214 | 18% | 0.178 | C | C | . | . | trans | -106.5 | 26.9 | -174.8 | -73.2 | -56.9 | 0 | 0 | 0 | 113 | L324 N350 K371 | L324-D348 CarbonylContact O-C 3.41Å; L324-D348 WeakPolarHBondContact O-CA 3.43Å; L324-D348 PolarHBondContact O-N 3.23Å; D348-N350 PolarHBondContact O-N 2.92Å; D348-K371 WeakPolarHBondContact OD1-CE 3.43Å; D348-K371 IonicContact OD1-NZ 2.69Å; D348-K371 PolarHBondContact OD1-NZ 3.11Å | ||
| 349 | F | 92.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.013 | 17% | 0.171 | C | C | . | . | trans | -76.5 | 122.8 | -176.6 | -64.7 | -70.3 | 0 | 0 | 0 | 112.4 | L324 S325 L327 L344 N347 P353 N370 K371 | L324-F349 HydrophobicContact CB-CE1 4.36Å; L324-F349 HydrophobicContact CB-CE2 3.99Å; L324-F349 HydrophobicContact CB-CZ 3.6Å; S325-F349 WeakPolarHBondContact O-CD1 3.46Å; L327-F349 HydrophobicContact CD1-CE1 4.43Å; L327-F349 HydrophobicContact CD1-CZ 4Å; L327-F349 HydrophobicContact CG-CE1 4.05Å; L327-F349 HydrophobicContact CG-CZ 3.85Å; L344-F349 HydrophobicContact CB-CD2 4.41Å; L344-F349 HydrophobicContact CB-CE2 4.13Å; L344-F349 HydrophobicContact CD1-CE2 4.29Å; L344-F349 HydrophobicContact CD2-CE2 4.19Å; L344-F349 HydrophobicContact CG-CE2 4.44Å; N347-F349 HydrophobicContact CB-CD2 3.67Å; N347-F349 HydrophobicContact CB-CE2 3.72Å; F349-P353 HydrophobicContact CD1-CG 3.64Å; F349-P353 HydrophobicContact CE1-CB 4.43Å; F349-P353 HydrophobicContact CE1-CG 3.6Å; F349-P353 HydrophobicContact CG-CG 4.19Å; F349-P353 HydrophobicContact CZ-CG 4.13Å; F349-N370 HydrophobicContact CB-CB 4.48Å; F349-N370 WeakPolarHBondContact CB-OD1 3.49Å; F349-N370 VanDerWaalsContact CD2-OD1 3.31Å; F349-N370 WeakPolarHBondContact CD2-OD1 3.45Å; F349-N370 PolarHBondContact N-OD1 3.39Å; F349-K371 CarbonylContact O-C 3.12Å; F349-K371 WeakPolarHBondContact O-CA 3.38Å; F349-K371 PolarHBondContact O-N 2.96Å | ||
| 350 | N | 90.8 | Very high | 93.1 | Very high | 110 Ų | 110 | 36.9 Ų | 36.9 | 59% | 0.588 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -89.7 | -14.4 | 174.6 | -63.2 | -21.5 | 0 | 0 | 0 | 113.4 | D348 K371 | D348-N350 PolarHBondContact O-N 2.92Å; N350-K371 WeakPolarHBondContact OD1-CB 3.47Å; N350-K371 WeakPolarHBondContact OD1-CD 3.36Å |
| 351 | A | 90.9 | Very high | 93 | Very high | 60 Ų | 60 | 33.6 Ų | 33.6 | 50% | 0.496 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -149.5 | 160.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P353 L372 | A351-P353 WeakPolarHBondContact O-CD 3.27Å; A351-L372 VanDerWaalsContact CA-CD2 3.42Å |
| 352 | V | 91.1 | Very high | 92.9 | Very high | 15 Ų | 15 | 29.3 Ų | 29.3 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | trans | -62.5 | 125.3 | 174 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | L356 L375 W381 W383 | V352-L356 HydrophobicContact CG1-CD2 4.1Å; V352-L375 HydrophobicContact CG2-CD1 3.5Å; V352-L375 VanDerWaalsContact CG2-CD1 3.5Å; V352-W381 HydrophobicContact CB-CH2 3.8Å; V352-W381 HydrophobicContact CB-CZ3 4.05Å; V352-W381 HydrophobicContact CG1-CH2 3.97Å; V352-W381 HydrophobicContact CG1-CZ3 3.97Å; V352-W383 HydrophobicContact CG1-CH2 4.34Å; V352-W383 HydrophobicContact CG1-CZ2 3.85Å | ||
| 353 | P | 92.3 | Very high | 92.9 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 8% | 0.078 | 17% | 0.169 | C | C | . | . | trans | -66.2 | 138.2 | -173.7 | -20.1 | 31 | 0 | 0 | 0 | 113 | L327 L344 F349 A351 A355 L356 | L327-P353 HydrophobicContact CB-CB 4.09Å; L327-P353 HydrophobicContact CD1-CB 4.2Å; L327-P353 HydrophobicContact CD1-CG 4.19Å; L327-P353 HydrophobicContact CG-CB 4.49Å; L344-P353 HydrophobicContact CD1-CG 4.25Å; F349-P353 HydrophobicContact CD1-CG 3.64Å; F349-P353 HydrophobicContact CE1-CB 4.43Å; F349-P353 HydrophobicContact CE1-CG 3.6Å; F349-P353 HydrophobicContact CG-CG 4.19Å; F349-P353 HydrophobicContact CZ-CG 4.13Å; A351-P353 WeakPolarHBondContact O-CD 3.27Å; P353-A355 HydrophobicContact CB-CB 4.5Å; P353-A355 PolarHBondContact O-N 3.34Å; P353-L356 HydrophobicContact CB-CD1 3.89Å; P353-L356 HydrophobicContact CG-CD1 4.08Å; P353-L356 PolarHBondContact O-N 2.94Å; P353-L356 VanDerWaalsContact O-N 3.11Å | ||
| 354 | E | 90.7 | Very high | 92.9 | Very high | 98 Ų | 98 | 32.6 Ų | 32.6 | 46% | 0.458 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -62.3 | -24.6 | 177.9 | -171.7 | 164.9 | -150.3 | 0 | 0 | 112.6 | P329 L356 A357 | P329-E354 HydrophobicContact CB-CG 4.36Å; P329-E354 HydrophobicContact CG-CG 4.49Å; E354-L356 PolarHBondContact O-N 2.99Å; E354-A357 WeakPolarHBondContact O-CB 3.39Å; E354-A357 PolarHBondContact O-N 2.82Å |
| 355 | A | 93 | Very high | 93 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -54 | -23.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L327 P328 F332 P353 A357 P358 | L327-A355 HydrophobicContact CB-CB 3.61Å; P328-A355 WeakPolarHBondContact O-CB 3.2Å; F332-A355 HydrophobicContact CD2-CB 4.05Å; F332-A355 WeakPolarHBondContact CD2-O 3.49Å; F332-A355 HydrophobicContact CE2-CB 4.02Å; P353-A355 HydrophobicContact CB-CB 4.5Å; P353-A355 PolarHBondContact O-N 3.34Å; A355-A357 VanDerWaalsContact C-N 3.33Å; A355-P358 VanDerWaalsContact O-CD 3.31Å; A355-P358 WeakPolarHBondContact O-CD 3.47Å |
| 356 | L | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -77.3 | -19.3 | 178.7 | -81.2 | 66.6 | 0 | 0 | 0 | 112.5 | F332 L342 L344 V352 P353 E354 P358 L359 L365 W383 | F332-L356 HydrophobicContact CE2-CD1 4.09Å; L342-L356 HydrophobicContact CD2-CD1 4.09Å; L342-L356 HydrophobicContact CD2-CD2 4.19Å; L342-L356 HydrophobicContact CD2-CG 3.97Å; L344-L356 HydrophobicContact CD1-CD1 4.23Å; V352-L356 HydrophobicContact CG1-CD2 4.1Å; P353-L356 HydrophobicContact CB-CD1 3.89Å; P353-L356 HydrophobicContact CG-CD1 4.08Å; P353-L356 PolarHBondContact O-N 2.94Å; P353-L356 VanDerWaalsContact O-N 3.11Å; E354-L356 PolarHBondContact O-N 2.99Å; L356-P358 VanDerWaalsContact C-N 3.33Å; L356-P358 VanDerWaalsContact O-N 3.13Å; L356-L359 HydrophobicContact CB-CD1 4.19Å; L356-L359 HydrophobicContact CG-CD1 3.93Å; L356-L359 WeakPolarHBondContact O-CB 3.46Å; L356-L359 WeakPolarHBondContact O-CG 3.47Å; L356-L359 PolarHBondContact O-N 2.97Å; L356-L365 HydrophobicContact CD2-CD1 3.89Å; L356-L365 HydrophobicContact CD2-CD2 3.81Å; L356-W383 HydrophobicContact CB-CG 4.43Å |
| 357 | A | 91 | Very high | 93.5 | Very high | 19 Ų | 19 | 30.8 Ų | 30.8 | 16% | 0.157 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.1 | -46.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | E354 A355 L359 W381 R382 | E354-A357 WeakPolarHBondContact O-CB 3.39Å; E354-A357 PolarHBondContact O-N 2.82Å; A355-A357 VanDerWaalsContact C-N 3.33Å; A357-L359 PolarHBondContact O-N 2.86Å; A357-W381 VanDerWaalsContact CB-CD1 3.43Å; A357-W381 HydrophobicContact CB-CG 4.35Å; A357-R382 PolarHBondContact O-N 2.78Å; A357-R382 VanDerWaalsContact O-N 3.11Å |
| 358 | P | 91.3 | Very high | 93.6 | Very high | 27 Ų | 27 | 31.4 Ų | 31.4 | 18% | 0.175 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -12 | -178.2 | 32.3 | -38.7 | 0 | 0 | 0 | 115.2 | A336 A355 L356 R360 | A336-P358 HydrophobicContact CB-CB 3.97Å; A336-P358 WeakPolarHBondContact CB-O 3.38Å; A355-P358 VanDerWaalsContact O-CD 3.31Å; A355-P358 WeakPolarHBondContact O-CD 3.47Å; L356-P358 VanDerWaalsContact C-N 3.33Å; L356-P358 VanDerWaalsContact O-N 3.13Å; P358-R360 VanDerWaalsContact C-N 3.34Å; P358-R360 WeakPolarHBondContact O-CG 3.49Å; P358-R360 PolarHBondContact O-N 3.18Å |
| 359 | L | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -71 | 73.1 | -168.1 | -63.2 | 178.7 | 0 | 0 | 0 | 114.4 | F332 A336 L339 L342 L356 A357 S361 L362 W383 | F332-L359 HydrophobicContact CB-CD2 3.5Å; F332-L359 VanDerWaalsContact CB-CD2 3.5Å; F332-L359 HydrophobicContact CB-CG 4.3Å; F332-L359 HydrophobicContact CD2-CD1 4.05Å; F332-L359 HydrophobicContact CD2-CD2 4.29Å; F332-L359 HydrophobicContact CD2-CG 4.36Å; F332-L359 HydrophobicContact CG-CD2 4.1Å; A336-L359 CarbonylContact O-C 3.53Å; L339-L359 HydrophobicContact CB-CD2 4.22Å; L339-L359 HydrophobicContact CD2-CD1 4.16Å; L339-L359 HydrophobicContact CD2-CD2 3.88Å; L342-L359 HydrophobicContact CD2-CD1 4.01Å; L356-L359 HydrophobicContact CB-CD1 4.19Å; L356-L359 HydrophobicContact CG-CD1 3.93Å; L356-L359 WeakPolarHBondContact O-CB 3.46Å; L356-L359 WeakPolarHBondContact O-CG 3.47Å; L356-L359 PolarHBondContact O-N 2.97Å; A357-L359 PolarHBondContact O-N 2.86Å; L359-S361 VanDerWaalsContact C-N 3.28Å; L359-S361 PolarHBondContact O-N 3.29Å; L359-L362 HydrophobicContact CB-CB 4.13Å; L359-L362 HydrophobicContact CD1-CD1 4.45Å; L359-L362 HydrophobicContact CD1-CD2 4.19Å; L359-L362 WeakPolarHBondContact O-CB 3.38Å; L359-L362 PolarHBondContact O-N 3.03Å; L359-W383 HydrophobicContact CB-CB 4.01Å; L359-W383 WeakPolarHBondContact O-CA 3.39Å; L359-W383 WeakPolarHBondContact O-CB 3.38Å | ||
| 360 | R | 91.6 | Very high | 93.1 | Very high | 103 Ų | 103 | 30.3 Ų | 30.3 | 39% | 0.389 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -25.8 | -172.5 | -44.1 | -170.1 | -174.9 | 136.6 | -4 | 113.6 | A336 D337 P358 R382 N386 | A336-R360 PolarHBondContact O-N 3.39Å; D337-R360 IonicContact OD1-CZ 3.39Å; D337-R360 IonicContact OD1-NH1 3.95Å; D337-R360 PolarHBondContact OD1-NH1 2.9Å; D337-R360 IonicContact OD2-NH1 3.75Å; P358-R360 VanDerWaalsContact C-N 3.34Å; P358-R360 WeakPolarHBondContact O-CG 3.49Å; P358-R360 PolarHBondContact O-N 3.18Å; R360-R382 HydrophobicContact CG-CB 4.09Å; R360-N386 PolarHBondContact O-ND2 3.21Å |
| 361 | S | 95.9 | Very high | 93.1 | Very high | 37 Ų | 37 | 27.7 Ų | 27.7 | 26% | 0.259 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 2.2 | -177.7 | -72.5 | 0 | 0 | 0 | 0 | 114.3 | A336 D337 L339 L359 T363 | A336-S361 PolarHBondContact O-N 2.81Å; D337-S361 WeakPolarHBondContact O-CB 3.45Å; D337-S361 PolarHBondContact O-OG 2.69Å; L339-S361 CarbonylContact O-C 3.5Å; L359-S361 VanDerWaalsContact C-N 3.28Å; L359-S361 PolarHBondContact O-N 3.29Å; S361-T363 PolarHBondContact O-N 3.05Å |
| 362 | L | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -65.6 | 129.4 | -175.7 | -163.5 | 69.5 | 0 | 0 | 0 | 111.1 | L339 L342 L359 L365 W383 N386 L387 | L339-L362 WeakPolarHBondContact O-CA 3.39Å; L339-L362 PolarHBondContact O-N 3.03Å; L342-L362 HydrophobicContact CB-CD1 3.81Å; L359-L362 HydrophobicContact CB-CB 4.13Å; L359-L362 HydrophobicContact CD1-CD1 4.45Å; L359-L362 HydrophobicContact CD1-CD2 4.19Å; L359-L362 WeakPolarHBondContact O-CB 3.38Å; L359-L362 PolarHBondContact O-N 3.03Å; L362-L365 HydrophobicContact CD2-CB 4.16Å; L362-L365 HydrophobicContact CD2-CD1 4.4Å; L362-W383 HydrophobicContact CB-CB 4.2Å; L362-W383 HydrophobicContact CD2-CB 4.16Å; L362-W383 HydrophobicContact CD2-CE3 4.29Å; L362-N386 CarbonylContact O-C 3.59Å; L362-L387 HydrophobicContact CD2-CD1 4.09Å; L362-L387 HydrophobicContact CG-CD1 3.99Å; L362-L387 PolarHBondContact O-N 2.94Å | ||
| 363 | T | 98.2 | Very high | 92.9 | Very high | 29 Ų | 29 | 26.9 Ų | 26.9 | 18% | 0.178 | 15% | 0.146 | C | C | . | . | trans | -121.9 | -27.6 | -179.5 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | K340 S361 K388 E389 | K340-T363 PolarHBondContact O-N 2.88Å; K340-T363 PolarHBondContact O-OG1 2.77Å; S361-T363 PolarHBondContact O-N 3.05Å; T363-K388 WeakPolarHBondContact O-CA 3.31Å; T363-K388 PolarHBondContact O-N 2.8Å; T363-E389 PolarHBondContact O-N 3.25Å | ||
| 364 | H | 98.6 | Very high | 92.4 | Very high | 56 Ų | 56 | 28.9 Ų | 28.9 | 26% | 0.259 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 126.6 | 177.2 | -53.9 | 63.9 | 0 | 0 | 0 | 108.9 | K340 K341 L342 E389 | K340-H364 PolarHBondContact O-N 2.85Å; K341-H364 WeakPolarHBondContact CA-O 3.44Å; K341-H364 HydrophobicContact CB-CB 4.47Å; K341-H364 HydrophobicContact CG-CB 4.06Å; L342-H364 PolarHBondContact N-O 2.89Å; H364-E389 WeakPolarHBondContact CA-O 3.42Å; H364-E389 HydrophobicContact CB-CB 4.38Å; H364-E389 IonicContact CD2-OE1 3.53Å |
| 365 | L | 97.8 | Very high | 92 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 118.3 | 175.5 | 178.2 | 60.2 | 0 | 0 | 0 | 109.3 | L342 L356 L362 W383 L387 E389 L390 L391 | L342-L365 HydrophobicContact CB-CD1 4.18Å; L342-L365 HydrophobicContact CD2-CD1 4.14Å; L342-L365 HydrophobicContact CG-CD1 4.2Å; L342-L365 WeakPolarHBondContact O-CA 3.41Å; L356-L365 HydrophobicContact CD2-CD1 3.89Å; L356-L365 HydrophobicContact CD2-CD2 3.81Å; L362-L365 HydrophobicContact CD2-CB 4.16Å; L362-L365 HydrophobicContact CD2-CD1 4.4Å; L365-W383 HydrophobicContact CD2-CE3 4.1Å; L365-W383 HydrophobicContact CD2-CH2 3.98Å; L365-W383 HydrophobicContact CD2-CZ3 3.54Å; L365-L387 HydrophobicContact CB-CD1 3.84Å; L365-L387 HydrophobicContact CB-CD2 4.39Å; L365-E389 PolarHBondContact N-O 3.47Å; L365-L390 HydrophobicContact CB-CD1 4.1Å; L365-L390 HydrophobicContact CD2-CD1 3.94Å; L365-L390 HydrophobicContact CG-CD1 4.11Å; L365-L391 PolarHBondContact O-N 2.82Å |
| 366 | N | 96.7 | Very high | 91 | Very high | 25 Ų | 25 | 31.5 Ų | 31.5 | 13% | 0.134 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118.2 | 171.4 | -179.2 | 4.4 | 0 | 0 | 0 | 109.2 | L342 S343 L344 E345 I368 L391 | L342-N366 PolarHBondContact O-N 2.86Å; S343-N366 PolarHBondContact OG-ND2 2.78Å; L344-N366 PolarHBondContact N-O 3.17Å; E345-N366 PolarHBondContact OE2-ND2 2.92Å; N366-I368 WeakPolarHBondContact OD1-CB 3.45Å; N366-I368 WeakPolarHBondContact OD1-CD1 3.12Å; N366-I368 WeakPolarHBondContact OD1-CG1 3.31Å; N366-I368 PolarHBondContact OD1-N 3.22Å; N366-I368 VanDerWaalsContact OD1-N 3.1Å; N366-L391 HydrophobicContact CB-CD1 4.25Å |
| 367 | I | 95.3 | Very high | 90 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | trans | -135.3 | 35.1 | 174 | -161.7 | 165 | 0 | 0 | 0 | 110.1 | L344 N370 L372 L391 L392 N395 | L344-I367 HydrophobicContact CB-CB 4.5Å; L344-I367 HydrophobicContact CB-CG1 4.13Å; L344-I367 HydrophobicContact CD1-CD1 4.12Å; I367-N370 HydrophobicContact CG1-CB 4.34Å; I367-N370 PolarHBondContact O-ND2 2.94Å; I367-L372 HydrophobicContact CD1-CD1 4Å; I367-L372 HydrophobicContact CD1-CD2 4.47Å; I367-L372 HydrophobicContact CG1-CD1 4.09Å; I367-L372 HydrophobicContact CG2-CD1 3.75Å; I367-L391 PolarHBondContact N-O 3.4Å; I367-L392 HydrophobicContact CG2-CD2 3.36Å; I367-L392 HydrophobicContact CG2-CG 4.27Å; I367-N395 PolarHBondContact O-ND2 2.94Å | ||
| 368 | I | 89.1 | Confident | 89.2 | Confident | 22 Ų | 22 | 40 Ų | 40 | 11% | 0.113 | 20% | 0.199 | C | C | . | . | trans | -58.2 | 153.1 | 174.7 | -67.4 | 173.8 | 0 | 0 | 0 | 110.3 | E345 E346 N366 N370 L391 R393 | E345-I368 CarbonylContact C-O 3.2Å; E345-I368 VanDerWaalsContact CA-O 3.25Å; E345-I368 WeakPolarHBondContact CA-O 3.49Å; E345-I368 HydrophobicContact CB-CB 4.36Å; E345-I368 HydrophobicContact CG-CB 4.03Å; E345-I368 HydrophobicContact CG-CG2 4.27Å; E346-I368 PolarHBondContact N-O 2.85Å; N366-I368 WeakPolarHBondContact OD1-CB 3.45Å; N366-I368 WeakPolarHBondContact OD1-CD1 3.12Å; N366-I368 WeakPolarHBondContact OD1-CG1 3.31Å; N366-I368 PolarHBondContact OD1-N 3.22Å; N366-I368 VanDerWaalsContact OD1-N 3.1Å; I368-N370 PolarHBondContact O-N 2.87Å; I368-N370 PolarHBondContact O-ND2 3.34Å; I368-L391 HydrophobicContact CD1-CB 3.76Å; I368-L391 HydrophobicContact CD1-CD1 4.14Å; I368-L391 HydrophobicContact CG1-CB 3.74Å; I368-R393 CarbonylContact C-O 3.16Å; I368-R393 VanDerWaalsContact CA-O 3.23Å; I368-R393 WeakPolarHBondContact CA-O 3.35Å; I368-R393 HydrophobicContact CD1-CB 4.3Å; I368-R393 HydrophobicContact CG1-CB 3.99Å; I368-R393 HydrophobicContact CG2-CB 4.23Å; I368-R393 WeakPolarHBondContact CG2-O 3.33Å | ||
| 369 | S | 85.9 | Confident | 88 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 10% | 0.098 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 53 | 53.3 | 172.3 | -64.4 | 0 | 0 | 0 | 0 | 112.8 | E346 R393 H394 | E346-S369 WeakPolarHBondContact CA-O 3.42Å; E346-S369 PolarHBondContact N-O 3.32Å; E346-S369 WeakPolarHBondContact OE1-CB 3.44Å; E346-S369 PolarHBondContact OE1-OG 3.25Å; S369-R393 PolarHBondContact N-O 3Å; S369-H394 WeakPolarHBondContact CA-O 3.33Å; S369-H394 PolarHBondContact N-O 3.24Å; S369-H394 PolarHBondContact OG-CD2 2.99Å |
| 370 | N | 87.7 | Confident | 86.9 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.032 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -122.1 | -164.4 | 171.7 | -87 | -88.5 | 0 | 0 | 0 | 108.2 | L344 N347 F349 I367 I368 L372 H394 N395 | L344-N370 PolarHBondContact O-ND2 3.39Å; N347-N370 WeakPolarHBondContact CB-OD1 3.46Å; N347-N370 PolarHBondContact O-OD1 3.35Å; F349-N370 HydrophobicContact CB-CB 4.48Å; F349-N370 WeakPolarHBondContact CB-OD1 3.49Å; F349-N370 VanDerWaalsContact CD2-OD1 3.31Å; F349-N370 WeakPolarHBondContact CD2-OD1 3.45Å; F349-N370 PolarHBondContact N-OD1 3.39Å; I367-N370 HydrophobicContact CG1-CB 4.34Å; I367-N370 PolarHBondContact O-ND2 2.94Å; I368-N370 PolarHBondContact O-N 2.87Å; I368-N370 PolarHBondContact O-ND2 3.34Å; N370-L372 HydrophobicContact CB-CG 4.31Å; N370-H394 PolarHBondContact N-O 2.93Å; N370-N395 WeakPolarHBondContact CA-OD1 3.36Å; N370-N395 WeakPolarHBondContact CB-OD1 3.37Å; N370-N395 PolarHBondContact N-OD1 3.02Å; N370-N395 PolarHBondContact O-OD1 2.98Å |
| 371 | K | 90.6 | Very high | 86.5 | Confident | 54 Ų | 54 | 45.1 Ų | 45.1 | 24% | 0.235 | 25% | 0.25 | C | C | . | . | trans | -115.2 | 32.3 | -174.9 | -56.5 | -179.6 | -171.5 | 159 | 0 | 111.4 | D348 F349 N350 A373 N395 F396 | D348-K371 WeakPolarHBondContact OD1-CE 3.43Å; D348-K371 IonicContact OD1-NZ 2.69Å; D348-K371 PolarHBondContact OD1-NZ 3.11Å; F349-K371 CarbonylContact O-C 3.12Å; F349-K371 WeakPolarHBondContact O-CA 3.38Å; F349-K371 PolarHBondContact O-N 2.96Å; N350-K371 WeakPolarHBondContact OD1-CB 3.47Å; N350-K371 WeakPolarHBondContact OD1-CD 3.36Å; K371-A373 PolarHBondContact O-N 3.28Å; K371-A373 VanDerWaalsContact O-N 3.14Å; K371-N395 PolarHBondContact N-OD1 3.31Å; K371-F396 VanDerWaalsContact CA-CD2 3.47Å; K371-F396 HydrophobicContact CB-CD2 3.92Å; K371-F396 HydrophobicContact CB-CE2 3.62Å; K371-F396 HydrophobicContact CG-CE2 3.77Å | ||
| 372 | L | 90.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -71.9 | 109.2 | -176.3 | -55.8 | 177.3 | 0 | 0 | 0 | 110.3 | A351 I367 N370 L392 N395 F396 L397 | A351-L372 VanDerWaalsContact CA-CD2 3.42Å; I367-L372 HydrophobicContact CD1-CD1 4Å; I367-L372 HydrophobicContact CD1-CD2 4.47Å; I367-L372 HydrophobicContact CG1-CD1 4.09Å; I367-L372 HydrophobicContact CG2-CD1 3.75Å; N370-L372 HydrophobicContact CB-CG 4.31Å; L372-L392 HydrophobicContact CD1-CD2 3.63Å; L372-N395 HydrophobicContact CB-CB 4.07Å; L372-N395 WeakPolarHBondContact CB-OD1 3.45Å; L372-N395 WeakPolarHBondContact CG-OD1 3.49Å; L372-N395 PolarHBondContact N-OD1 3.03Å; L372-F396 CarbonylContact O-C 3.21Å; L372-F396 VanDerWaalsContact O-C 3.25Å; L372-F396 WeakPolarHBondContact O-CA 2.98Å; L372-F396 PolarHBondContact O-N 3.33Å; L372-L397 HydrophobicContact CB-CD2 4.47Å; L372-L397 PolarHBondContact O-N 3.2Å | ||
| 373 | A | 87.4 | Confident | 85.4 | Confident | 58 Ų | 58 | 49.1 Ų | 49.1 | 48% | 0.479 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -82 | -23.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K371 F396 | K371-A373 PolarHBondContact O-N 3.28Å; K371-A373 VanDerWaalsContact O-N 3.14Å; A373-F396 HydrophobicContact CB-CB 4.46Å |
| 374 | L | 82.5 | Confident | 85 | Confident | 55 Ų | 55 | 48.7 Ų | 48.7 | 29% | 0.288 | 26% | 0.256 | S | S | . | . | trans | -155.9 | 148.4 | -177.6 | -168.2 | 58.4 | 0 | 0 | 0 | 111.7 | H376 | L374-H376 WeakPolarHBondContact CD2-CD2 3.4Å; L374-H376 WeakPolarHBondContact CD2-NE2 3.31Å | ||
| 375 | L | 82.6 | Confident | 84.5 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | trans | -104.6 | 77.7 | 174.7 | -160.9 | 84.2 | 0 | 0 | 0 | 110.8 | V352 L390 L392 M404 F408 | V352-L375 HydrophobicContact CG2-CD1 3.5Å; V352-L375 VanDerWaalsContact CG2-CD1 3.5Å; L375-L390 HydrophobicContact CD2-CD2 4.31Å; L375-L392 HydrophobicContact CD1-CD1 4.23Å; L375-L392 HydrophobicContact CD1-CD2 3.97Å; L375-L392 HydrophobicContact CD2-CD1 4.14Å; L375-M404 HydrophobicContact CB-SD 4.48Å; L375-M404 HydrophobicContact CD2-CE 3.29Å; L375-M404 HydrophobicContact CD2-CG 3.83Å; L375-M404 HydrophobicContact CD2-SD 3.52Å; L375-M404 VanDerWaalsContact CD2-SD 3.52Å; L375-F408 HydrophobicContact CD2-CE2 3.93Å; L375-F408 HydrophobicContact CD2-CZ 4.2Å | ||
| 376 | H | 72.5 | Confident | 84.3 | Confident | 132 Ų | 132 | 53 Ų | 53 | 61% | 0.611 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -84.9 | 117.7 | 174 | -86.5 | -48.5 | 0 | 0 | 0 | 111.5 | L374 W381 | L374-H376 WeakPolarHBondContact CD2-CD2 3.4Å; L374-H376 WeakPolarHBondContact CD2-NE2 3.31Å; H376-W381 WeakPolarHBondContact O-CH2 3.3Å; H376-W381 WeakPolarHBondContact O-CZ3 3.34Å |
| 377 | L | 71.5 | Confident | 84.3 | Confident | 40 Ų | 40 | 51.8 Ų | 51.8 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -90.2 | 136.2 | 172.8 | -60.2 | 168.6 | 0 | 0 | 0 | 110.1 | W381 W383 F408 | L377-W381 HydrophobicContact CB-CE3 4.28Å; L377-W381 HydrophobicContact CD2-CE3 3.49Å; L377-W381 VanDerWaalsContact CD2-CE3 3.49Å; L377-W381 HydrophobicContact CD2-CZ3 3.67Å; L377-W381 HydrophobicContact CG-CE3 4.45Å; L377-W383 HydrophobicContact CD2-CH2 3.98Å; L377-W383 HydrophobicContact CD2-CZ2 3.76Å; L377-F408 HydrophobicContact CD1-CD2 4.27Å; L377-F408 HydrophobicContact CD1-CE2 3.64Å; L377-F408 HydrophobicContact CD1-CZ 3.84Å; L377-F408 HydrophobicContact CD2-CE1 4.48Å; L377-F408 HydrophobicContact CD2-CE2 4.34Å; L377-F408 HydrophobicContact CD2-CZ 3.77Å; L377-F408 HydrophobicContact CG-CZ 4.42Å |
| 378 | R | 74.9 | Confident | 84.4 | Confident | 157 Ų | 157 | 56 Ų | 56 | 59% | 0.592 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -98.4 | 146.3 | 174.2 | -64.5 | -167.6 | 178 | -169.9 | -0.1 | 110.4 | A380 W381 | R378-A380 PolarHBondContact O-N 3.33Å; R378-W381 HydrophobicContact CB-CD2 4.35Å; R378-W381 HydrophobicContact CB-CG 4.38Å; R378-W381 HydrophobicContact CG-CZ2 4.33Å; R378-W381 WeakPolarHBondContact O-CB 3.46Å; R378-W381 PolarHBondContact O-N 3.19Å |
| 379 | P | 66.8 | Low | 84.9 | Confident | 143 Ų | 143 | 57.9 Ų | 57.9 | 93% | 0.929 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -22.7 | -179.9 | -26.3 | 33.6 | 0 | 0 | 0 | 115.3 | W381 | P379-W381 VanDerWaalsContact C-N 3.34Š|
| 380 | A | 71.6 | Confident | 85.4 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 63% | 0.628 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -9.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R378 | R378-A380 PolarHBondContact O-N 3.33Š|
| 381 | W | 81.5 | Confident | 85.8 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 7% | 0.072 | 30% | 0.298 | C | S | . | . | trans | -77.2 | 132.5 | -178.5 | -67.7 | 0.4 | 0 | 0 | 0 | 110.5 | V352 A357 H376 L377 R378 P379 W383 N384 | V352-W381 HydrophobicContact CB-CH2 3.8Å; V352-W381 HydrophobicContact CB-CZ3 4.05Å; V352-W381 HydrophobicContact CG1-CH2 3.97Å; V352-W381 HydrophobicContact CG1-CZ3 3.97Å; A357-W381 VanDerWaalsContact CB-CD1 3.43Å; A357-W381 HydrophobicContact CB-CG 4.35Å; H376-W381 WeakPolarHBondContact O-CH2 3.3Å; H376-W381 WeakPolarHBondContact O-CZ3 3.34Å; L377-W381 HydrophobicContact CB-CE3 4.28Å; L377-W381 HydrophobicContact CD2-CE3 3.49Å; L377-W381 VanDerWaalsContact CD2-CE3 3.49Å; L377-W381 HydrophobicContact CD2-CZ3 3.67Å; L377-W381 HydrophobicContact CG-CE3 4.45Å; R378-W381 HydrophobicContact CB-CD2 4.35Å; R378-W381 HydrophobicContact CB-CG 4.38Å; R378-W381 HydrophobicContact CG-CZ2 4.33Å; R378-W381 WeakPolarHBondContact O-CB 3.46Å; R378-W381 PolarHBondContact O-N 3.19Å; P379-W381 VanDerWaalsContact C-N 3.34Å; W381-W383 HydrophobicContact CD2-CZ2 4.39Å; W381-W383 AromaticContact CD2-NE1 3.54Å; W381-W383 AromaticContact CE3-CE2 3.73Å; W381-W383 AromaticContact CE3-CZ2 3.45Å; W381-W383 HydrophobicContact CE3-CZ2 3.45Å; W381-W383 VanDerWaalsContact CE3-CZ2 3.45Å; W381-W383 AromaticContact CE3-NE1 3.47Å; W381-W383 AromaticContact CG-NE1 3.6Å; W381-W383 AromaticContact CZ3-CZ2 3.71Å; W381-W383 HydrophobicContact CZ3-CZ2 3.71Å; W381-N384 VanDerWaalsContact C-OD1 3.25Å; W381-N384 PolarHBondContact O-OD1 3.42Å | ||
| 382 | R | 82.1 | Confident | 86 | Confident | 122 Ų | 122 | 55.7 Ų | 55.7 | 46% | 0.46 | 29% | 0.287 | S | S | . | . | trans | -111 | -16.2 | -179.6 | -65.2 | -169.6 | 178.3 | -163.3 | -1 | 114.1 | A357 R360 N384 E385 | A357-R382 PolarHBondContact O-N 2.78Å; A357-R382 VanDerWaalsContact O-N 3.11Å; R360-R382 HydrophobicContact CG-CB 4.09Å; R382-N384 VanDerWaalsContact C-N 3.27Å; R382-N384 PolarHBondContact O-N 2.9Å; R382-E385 WeakPolarHBondContact O-CB 3.28Å; R382-E385 PolarHBondContact O-N 3.42Å | ||
| 383 | W | 89.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -66.9 | -28.3 | -175.6 | 59.8 | -91.7 | 0 | 0 | 0 | 113.5 | V352 L356 L359 L362 L365 L377 W381 E385 L387 F408 | V352-W383 HydrophobicContact CG1-CH2 4.34Å; V352-W383 HydrophobicContact CG1-CZ2 3.85Å; L356-W383 HydrophobicContact CB-CG 4.43Å; L359-W383 HydrophobicContact CB-CB 4.01Å; L359-W383 WeakPolarHBondContact O-CA 3.39Å; L359-W383 WeakPolarHBondContact O-CB 3.38Å; L362-W383 HydrophobicContact CB-CB 4.2Å; L362-W383 HydrophobicContact CD2-CB 4.16Å; L362-W383 HydrophobicContact CD2-CE3 4.29Å; L365-W383 HydrophobicContact CD2-CE3 4.1Å; L365-W383 HydrophobicContact CD2-CH2 3.98Å; L365-W383 HydrophobicContact CD2-CZ3 3.54Å; L377-W383 HydrophobicContact CD2-CH2 3.98Å; L377-W383 HydrophobicContact CD2-CZ2 3.76Å; W381-W383 HydrophobicContact CD2-CZ2 4.39Å; W381-W383 AromaticContact CD2-NE1 3.54Å; W381-W383 AromaticContact CE3-CE2 3.73Å; W381-W383 AromaticContact CE3-CZ2 3.45Å; W381-W383 HydrophobicContact CE3-CZ2 3.45Å; W381-W383 VanDerWaalsContact CE3-CZ2 3.45Å; W381-W383 AromaticContact CE3-NE1 3.47Å; W381-W383 AromaticContact CG-NE1 3.6Å; W381-W383 AromaticContact CZ3-CZ2 3.71Å; W381-W383 HydrophobicContact CZ3-CZ2 3.71Å; W383-E385 VanDerWaalsContact C-N 3.26Å; W383-E385 PolarHBondContact O-N 3.11Å; W383-L387 HydrophobicContact CE3-CD2 4.15Å; W383-L387 HydrophobicContact CZ3-CD2 3.81Å; W383-L387 PolarHBondContact O-N 3.3Å; W383-F408 HydrophobicContact CE3-CE1 4.19Å; W383-F408 AromaticContact CH2-CE1 3.9Å; W383-F408 HydrophobicContact CH2-CE1 3.9Å; W383-F408 AromaticContact CH2-CZ 3.85Å; W383-F408 HydrophobicContact CH2-CZ 3.85Å; W383-F408 AromaticContact CZ3-CE1 3.54Å; W383-F408 HydrophobicContact CZ3-CE1 3.54Å; W383-F408 AromaticContact CZ3-CZ 3.94Å; W383-F408 HydrophobicContact CZ3-CZ 3.94Å |
| 384 | N | 88.8 | Confident | 85.7 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 10% | 0.102 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -66.1 | -23 | 176.2 | 55.9 | -57.8 | 0 | 0 | 0 | 113.6 | W381 R382 N386 S407 F408 | W381-N384 VanDerWaalsContact C-OD1 3.25Å; W381-N384 PolarHBondContact O-OD1 3.42Å; R382-N384 VanDerWaalsContact C-N 3.27Å; R382-N384 PolarHBondContact O-N 2.9Å; N384-N386 VanDerWaalsContact C-N 3.33Å; N384-N386 PolarHBondContact O-N 2.73Å; N384-S407 WeakPolarHBondContact CB-O 3.44Å; N384-S407 PolarHBondContact ND2-O 3.44Å; N384-F408 HydrophobicContact CB-CD1 3.43Å; N384-F408 VanDerWaalsContact CB-CD1 3.43Å; N384-F408 HydrophobicContact CB-CE1 3.32Å; N384-F408 HydrophobicContact CB-CG 4.38Å; N384-F408 HydrophobicContact CB-CZ 4.23Å |
| 385 | E | 89.4 | Confident | 86 | Confident | 103 Ų | 103 | 56.2 Ų | 56.2 | 48% | 0.481 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -70.2 | -27.1 | -177.8 | -63.2 | -177.4 | 179.3 | 0 | 0 | 113.7 | R382 W383 K410 | R382-E385 WeakPolarHBondContact O-CB 3.28Å; R382-E385 PolarHBondContact O-N 3.42Å; W383-E385 VanDerWaalsContact C-N 3.26Å; W383-E385 PolarHBondContact O-N 3.11Å; E385-K410 WeakPolarHBondContact O-CD 3.36Å; E385-K410 WeakPolarHBondContact O-CE 3.28Å; E385-K410 WeakPolarHBondContact O-CG 3.44Å |
| 386 | N | 93.9 | Very high | 86.4 | Confident | 47 Ų | 47 | 58.4 Ų | 58.4 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -4.9 | -175.8 | -72.5 | -54.4 | 0 | 0 | 0 | 114.4 | R360 L362 N384 K388 K410 | R360-N386 PolarHBondContact O-ND2 3.21Å; L362-N386 CarbonylContact O-C 3.59Å; N384-N386 VanDerWaalsContact C-N 3.33Å; N384-N386 PolarHBondContact O-N 2.73Å; N386-K388 PolarHBondContact O-N 3.17Å; N386-K410 PolarHBondContact OD1-NZ 3.28Å |
| 387 | L | 96.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -64 | 130.7 | -177.8 | -157.1 | 73.7 | 0 | 0 | 0 | 111.5 | L362 L365 W383 L390 F408 K410 L411 | L362-L387 HydrophobicContact CD2-CD1 4.09Å; L362-L387 HydrophobicContact CG-CD1 3.99Å; L362-L387 PolarHBondContact O-N 2.94Å; L365-L387 HydrophobicContact CB-CD1 3.84Å; L365-L387 HydrophobicContact CB-CD2 4.39Å; W383-L387 HydrophobicContact CE3-CD2 4.15Å; W383-L387 HydrophobicContact CZ3-CD2 3.81Å; W383-L387 PolarHBondContact O-N 3.3Å; L387-L390 HydrophobicContact CD2-CB 3.83Å; L387-L390 HydrophobicContact CD2-CD1 4.15Å; L387-L390 HydrophobicContact CD2-CD2 4.29Å; L387-L390 HydrophobicContact CD2-CG 4.31Å; L387-F408 HydrophobicContact CB-CD1 4.28Å; L387-F408 HydrophobicContact CD2-CD1 4.01Å; L387-F408 HydrophobicContact CD2-CE1 3.78Å; L387-K410 CarbonylContact O-C 3.42Å; L387-L411 HydrophobicContact CD2-CD1 4.12Å; L387-L411 HydrophobicContact CG-CD1 4.22Å; L387-L411 VanDerWaalsContact O-CA 3.26Å; L387-L411 WeakPolarHBondContact O-CA 3.33Å; L387-L411 PolarHBondContact O-N 3.27Å; L387-L411 VanDerWaalsContact O-N 3.11Å | ||
| 388 | K | 97.9 | Very high | 88.1 | Confident | 89 Ų | 89 | 54 Ų | 54 | 39% | 0.387 | 27% | 0.267 | S | S | . | . | trans | -109.4 | -31.6 | 177.3 | -65.9 | -167.8 | 172.6 | -153.9 | 0 | 112.7 | T363 N386 E412 H413 | T363-K388 WeakPolarHBondContact O-CA 3.31Å; T363-K388 PolarHBondContact O-N 2.8Å; N386-K388 PolarHBondContact O-N 3.17Å; K388-E412 IonicContact NZ-OE1 3.24Å; K388-E412 PolarHBondContact O-N 3.35Å; K388-H413 PolarHBondContact O-N 3.36Å | ||
| 389 | E | 98.3 | Very high | 88.8 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 29% | 0.285 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 130.2 | 179.6 | -176.9 | 169.7 | 101.5 | 0 | 0 | 110.8 | T363 H364 L365 L391 H413 | T363-E389 PolarHBondContact O-N 3.25Å; H364-E389 WeakPolarHBondContact CA-O 3.42Å; H364-E389 HydrophobicContact CB-CB 4.38Å; H364-E389 IonicContact CD2-OE1 3.53Å; L365-E389 PolarHBondContact N-O 3.47Å; E389-L391 HydrophobicContact CG-CD2 3.9Å; E389-L391 HydrophobicContact CG-CG 4.16Å; E389-H413 WeakPolarHBondContact CA-O 3.38Å; E389-H413 HydrophobicContact CB-CB 4.39Å; E389-H413 HydrophobicContact CG-CB 4.11Å; E389-H413 IonicContact OE2-CD2 3.47Å; E389-H413 PolarHBondContact OE2-CD2 3.4Å |
| 390 | L | 97.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 116.1 | 177.4 | 179.3 | 56 | 0 | 0 | 0 | 109.7 | L365 L375 L387 L392 M404 F408 L411 H413 L414 D415 | L365-L390 HydrophobicContact CB-CD1 4.1Å; L365-L390 HydrophobicContact CD2-CD1 3.94Å; L365-L390 HydrophobicContact CG-CD1 4.11Å; L375-L390 HydrophobicContact CD2-CD2 4.31Å; L387-L390 HydrophobicContact CD2-CB 3.83Å; L387-L390 HydrophobicContact CD2-CD1 4.15Å; L387-L390 HydrophobicContact CD2-CD2 4.29Å; L387-L390 HydrophobicContact CD2-CG 4.31Å; L390-L392 HydrophobicContact CD1-CD1 4.27Å; L390-L392 HydrophobicContact CD1-CG 4.05Å; L390-L392 HydrophobicContact CD2-CD1 3.69Å; L390-L392 HydrophobicContact CD2-CG 4.38Å; L390-L392 HydrophobicContact CG-CD1 3.76Å; L390-L392 HydrophobicContact CG-CG 3.94Å; L390-M404 HydrophobicContact CD2-CE 3.96Å; L390-F408 HydrophobicContact CD2-CE1 4.41Å; L390-F408 HydrophobicContact CD2-CE2 4.06Å; L390-F408 HydrophobicContact CD2-CZ 3.9Å; L390-L411 HydrophobicContact CB-CD1 3.71Å; L390-L411 HydrophobicContact CB-CD2 4.39Å; L390-H413 PolarHBondContact N-O 3.23Å; L390-L414 HydrophobicContact CB-CD1 4.02Å; L390-L414 HydrophobicContact CD2-CD1 4.01Å; L390-L414 HydrophobicContact CG-CD1 4.04Å; L390-D415 PolarHBondContact O-N 3.29Å |
| 391 | L | 95.6 | Very high | 90.4 | Very high | 27 Ų | 27 | 42.6 Ų | 42.6 | 14% | 0.141 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 114.8 | 179 | -47.7 | 178.2 | 0 | 0 | 0 | 109.7 | L365 N366 I367 I368 E389 D415 | L365-L391 PolarHBondContact O-N 2.82Å; N366-L391 HydrophobicContact CB-CD1 4.25Å; I367-L391 PolarHBondContact N-O 3.4Å; I368-L391 HydrophobicContact CD1-CB 3.76Å; I368-L391 HydrophobicContact CD1-CD1 4.14Å; I368-L391 HydrophobicContact CG1-CB 3.74Å; E389-L391 HydrophobicContact CG-CD2 3.9Å; E389-L391 HydrophobicContact CG-CG 4.16Å; L391-D415 HydrophobicContact CD2-CB 3.8Å |
| 392 | L | 94.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -125.4 | 13.9 | -174.9 | -74.6 | 164.9 | 0 | 0 | 0 | 112.1 | I367 L372 L375 L390 N395 L397 M404 L414 D415 I416 N419 | I367-L392 HydrophobicContact CG2-CD2 3.36Å; I367-L392 HydrophobicContact CG2-CG 4.27Å; L372-L392 HydrophobicContact CD1-CD2 3.63Å; L375-L392 HydrophobicContact CD1-CD1 4.23Å; L375-L392 HydrophobicContact CD1-CD2 3.97Å; L375-L392 HydrophobicContact CD2-CD1 4.14Å; L390-L392 HydrophobicContact CD1-CD1 4.27Å; L390-L392 HydrophobicContact CD1-CG 4.05Å; L390-L392 HydrophobicContact CD2-CD1 3.69Å; L390-L392 HydrophobicContact CD2-CG 4.38Å; L390-L392 HydrophobicContact CG-CD1 3.76Å; L390-L392 HydrophobicContact CG-CG 3.94Å; L392-N395 PolarHBondContact O-ND2 3.49Å; L392-L397 HydrophobicContact CB-CD1 4.2Å; L392-L397 HydrophobicContact CD1-CD1 4.36Å; L392-M404 HydrophobicContact CD1-CE 3.95Å; L392-L414 HydrophobicContact CD1-CD1 4.31Å; L392-D415 CarbonylContact C-O 3.53Å; L392-D415 WeakPolarHBondContact CA-O 3.49Å; L392-D415 WeakPolarHBondContact CB-O 3.38Å; L392-D415 PolarHBondContact N-O 2.78Å; L392-I416 HydrophobicContact CB-CG1 4.05Å; L392-I416 HydrophobicContact CD1-CD1 4.49Å; L392-I416 HydrophobicContact CD1-CG1 4.03Å; L392-N419 PolarHBondContact O-ND2 2.89Å | ||
| 393 | R | 87.6 | Confident | 90.5 | Very high | 97 Ų | 97 | 41.9 Ų | 41.9 | 37% | 0.366 | 20% | 0.199 | S | C | . | . | trans | -54.5 | 148 | 179.7 | 174.7 | -179.5 | 172 | 176.8 | -3 | 111.4 | I368 S369 N395 D415 S417 Q418 | I368-R393 CarbonylContact C-O 3.16Å; I368-R393 VanDerWaalsContact CA-O 3.23Å; I368-R393 WeakPolarHBondContact CA-O 3.35Å; I368-R393 HydrophobicContact CD1-CB 4.3Å; I368-R393 HydrophobicContact CG1-CB 3.99Å; I368-R393 HydrophobicContact CG2-CB 4.23Å; I368-R393 WeakPolarHBondContact CG2-O 3.33Å; S369-R393 PolarHBondContact N-O 3Å; R393-N395 PolarHBondContact O-ND2 3.38Å; R393-D415 PolarHBondContact N-O 3.21Å; R393-S417 WeakPolarHBondContact CA-O 3.38Å; R393-S417 VanDerWaalsContact CD-OG 3.29Å; R393-S417 WeakPolarHBondContact CD-OG 3.24Å; R393-S417 WeakPolarHBondContact CG-O 3.18Å; R393-S417 VanDerWaalsContact CG-OG 3.26Å; R393-S417 WeakPolarHBondContact CG-OG 3.33Å; R393-Q418 HydrophobicContact CG-CB 4.07Å; R393-Q418 HydrophobicContact CG-CG 4.3Å; R393-Q418 VanDerWaalsContact NE-CD 3.25Å | ||
| 394 | H | 85.5 | Confident | 90.2 | Very high | 26 Ų | 26 | 42.5 Ų | 42.5 | 12% | 0.12 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 57.3 | 56.6 | 175 | -159.5 | 59.4 | 0 | 0 | 0 | 112.8 | S369 N370 S417 Q418 I1141 | S369-H394 WeakPolarHBondContact CA-O 3.33Å; S369-H394 PolarHBondContact N-O 3.24Å; S369-H394 PolarHBondContact OG-CD2 2.99Å; N370-H394 PolarHBondContact N-O 2.93Å; H394-S417 PolarHBondContact N-O 2.93Å; H394-S417 VanDerWaalsContact N-O 3.12Å; H394-Q418 VanDerWaalsContact CA-O 3.27Å; H394-Q418 WeakPolarHBondContact CA-O 3.43Å; H394-Q418 HydrophobicContact CB-CB 4.49Å; H394-Q418 PolarHBondContact N-O 3.5Å; H394-I1141 WeakPolarHBondContact NE2-CG2 3.22Å |
| 395 | N | 87.4 | Confident | 90 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -124 | -171.3 | 170.8 | -85.7 | -81.1 | 0 | 0 | 0 | 108.9 | I367 N370 K371 L372 L392 R393 L397 N419 Y420 | I367-N395 PolarHBondContact O-ND2 2.94Å; N370-N395 WeakPolarHBondContact CA-OD1 3.36Å; N370-N395 WeakPolarHBondContact CB-OD1 3.37Å; N370-N395 PolarHBondContact N-OD1 3.02Å; N370-N395 PolarHBondContact O-OD1 2.98Å; K371-N395 PolarHBondContact N-OD1 3.31Å; L372-N395 HydrophobicContact CB-CB 4.07Å; L372-N395 WeakPolarHBondContact CB-OD1 3.45Å; L372-N395 WeakPolarHBondContact CG-OD1 3.49Å; L372-N395 PolarHBondContact N-OD1 3.03Å; L392-N395 PolarHBondContact O-ND2 3.49Å; R393-N395 PolarHBondContact O-ND2 3.38Å; N395-L397 HydrophobicContact CB-CG 4.25Å; N395-N419 VanDerWaalsContact CA-OD1 3.32Å; N395-N419 WeakPolarHBondContact CA-OD1 3.28Å; N395-N419 VanDerWaalsContact CB-OD1 3.23Å; N395-N419 WeakPolarHBondContact CB-OD1 3.45Å; N395-N419 PolarHBondContact N-OD1 2.93Å; N395-N419 PolarHBondContact O-OD1 3.08Å; N395-Y420 WeakPolarHBondContact O-CE2 3.37Å |
| 396 | F | 91.3 | Very high | 89.7 | Confident | 66 Ų | 66 | 40 Ų | 40 | 29% | 0.289 | 20% | 0.195 | S | C | . | . | trans | -101 | 27.6 | 179.2 | -58.9 | -55.7 | 0 | 0 | 0 | 112.8 | K371 L372 A373 T398 Y420 | K371-F396 VanDerWaalsContact CA-CD2 3.47Å; K371-F396 HydrophobicContact CB-CD2 3.92Å; K371-F396 HydrophobicContact CB-CE2 3.62Å; K371-F396 HydrophobicContact CG-CE2 3.77Å; L372-F396 CarbonylContact O-C 3.21Å; L372-F396 VanDerWaalsContact O-C 3.25Å; L372-F396 WeakPolarHBondContact O-CA 2.98Å; L372-F396 PolarHBondContact O-N 3.33Å; A373-F396 HydrophobicContact CB-CB 4.46Å; F396-T398 PolarHBondContact O-N 2.83Å; F396-Y420 HydrophobicContact CD1-CD2 4.31Å; F396-Y420 AromaticContact CD1-CE2 3.55Å; F396-Y420 HydrophobicContact CD1-CE2 3.55Å; F396-Y420 HydrophobicContact CE1-CE2 4.2Å | ||
| 397 | L | 91.2 | Very high | 89.3 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | trans | -70.6 | 123.4 | -176.4 | -57.9 | 171 | 0 | 0 | 0 | 110 | L372 L392 N395 I416 N419 Y420 I421 | L372-L397 HydrophobicContact CB-CD2 4.47Å; L372-L397 PolarHBondContact O-N 3.2Å; L392-L397 HydrophobicContact CB-CD1 4.2Å; L392-L397 HydrophobicContact CD1-CD1 4.36Å; N395-L397 HydrophobicContact CB-CG 4.25Å; L397-I416 HydrophobicContact CD1-CG2 3.64Å; L397-N419 HydrophobicContact CB-CB 4.09Å; L397-N419 WeakPolarHBondContact CB-OD1 3.29Å; L397-N419 WeakPolarHBondContact CG-OD1 3.46Å; L397-N419 PolarHBondContact N-OD1 3.46Å; L397-Y420 CarbonylContact O-C 3.26Å; L397-Y420 WeakPolarHBondContact O-CA 3.33Å; L397-Y420 PolarHBondContact O-N 3.25Å; L397-I421 PolarHBondContact O-N 3.03Å | ||
| 398 | T | 90.2 | Very high | 89 | Confident | 73 Ų | 73 | 39.5 Ų | 39.5 | 45% | 0.448 | 20% | 0.195 | S | C | . | . | trans | -99.8 | -11.5 | 178.4 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | F396 I421 | F396-T398 PolarHBondContact O-N 2.83Å; T398-I421 WeakPolarHBondContact O-CA 3.2Å | ||
| 399 | R | 88.7 | Confident | 88.7 | Confident | 111 Ų | 111 | 38.2 Ų | 38.2 | 42% | 0.419 | 20% | 0.196 | S | C | . | . | trans | -153.3 | 158.2 | -177.8 | 55.3 | 174.2 | 170 | 171.6 | -1.3 | 111.8 | E426 | R399-E426 VanDerWaalsContact CD-OE1 3.23Å; R399-E426 WeakPolarHBondContact CD-OE1 3.46Å; R399-E426 WeakPolarHBondContact CD-OE2 3.36Å; R399-E426 IonicContact NH1-OE1 3.55Å; R399-E426 PolarHBondContact NH1-OE1 2.9Å; R399-E426 IonicContact NH1-OE2 3.71Å; R399-E426 PolarHBondContact NH1-OE2 2.84Å | ||
| 400 | I | 87.3 | Confident | 88.5 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | trans | -129.2 | 125.2 | 170.8 | -173.8 | -177.8 | 0 | 0 | 0 | 108.3 | M404 L414 I416 I421 L424 E426 L427 | I400-M404 HydrophobicContact CG1-SD 4.17Å; I400-L414 HydrophobicContact CD1-CD2 4.21Å; I400-I416 HydrophobicContact CD1-CD1 3.48Å; I400-I416 VanDerWaalsContact CD1-CD1 3.48Å; I400-I416 HydrophobicContact CG1-CD1 4.15Å; I400-I421 HydrophobicContact CB-CD1 4.22Å; I400-I421 HydrophobicContact CG2-CD1 4.22Å; I400-L424 HydrophobicContact CG2-CD2 4.02Å; I400-E426 WeakPolarHBondContact O-CB 3.42Å; I400-L427 HydrophobicContact CB-CD2 4.41Å; I400-L427 HydrophobicContact CD1-CD2 4.03Å; I400-L427 HydrophobicContact CG1-CD2 3.82Å; I400-L427 HydrophobicContact CG2-CD1 3.92Å; I400-L427 HydrophobicContact CG2-CD2 4.09Å; I400-L427 HydrophobicContact CG2-CG 3.89Å | ||
| 401 | A | 84.1 | Confident | 88.4 | Confident | 20 Ų | 20 | 39.5 Ų | 39.5 | 17% | 0.165 | 20% | 0.2 | C | C | . | . | trans | -113.5 | 153.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D403 M404 E426 | A401-D403 VanDerWaalsContact C-N 3.31Å; A401-D403 WeakPolarHBondContact CB-OD1 3.03Å; A401-D403 PolarHBondContact O-N 2.73Å; A401-M404 VanDerWaalsContact O-CB 3.3Å; A401-M404 WeakPolarHBondContact O-CB 3.14Å; A401-M404 PolarHBondContact O-N 2.8Å; A401-E426 CarbonylContact C-O 3.53Å; A401-E426 WeakPolarHBondContact CA-O 3.37Å; A401-E426 HydrophobicContact CB-CB 4.17Å | ||
| 402 | Q | 84.4 | Confident | 88.5 | Confident | 27 Ų | 27 | 42.2 Ų | 42.2 | 13% | 0.126 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.9 | -34.8 | -176.3 | -167.3 | -146.9 | -1.2 | 0 | 0 | 113.2 | M404 L405 T406 E426 L427 P429 | Q402-M404 VanDerWaalsContact C-N 3.25Å; Q402-M404 PolarHBondContact O-N 3.01Å; Q402-L405 WeakPolarHBondContact O-CB 3.14Å; Q402-L405 PolarHBondContact O-N 2.88Å; Q402-T406 PolarHBondContact O-N 3.03Å; Q402-E426 PolarHBondContact N-O 3.46Å; Q402-L427 WeakPolarHBondContact CG-O 3.21Å; Q402-P429 VanDerWaalsContact CD-CA 3.44Å; Q402-P429 HydrophobicContact CG-CG 4.38Å; Q402-P429 VanDerWaalsContact NE2-CB 3.27Å |
| 403 | D | 81.6 | Confident | 88.7 | Confident | 98 Ų | 98 | 44.3 Ų | 44.3 | 52% | 0.524 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.5 | -36.6 | 178.5 | 60.5 | -23.1 | 0 | 0 | 0 | 112 | A401 L405 T406 S407 | A401-D403 VanDerWaalsContact C-N 3.31Å; A401-D403 WeakPolarHBondContact CB-OD1 3.03Å; A401-D403 PolarHBondContact O-N 2.73Å; D403-L405 PolarHBondContact O-N 2.87Å; D403-T406 WeakPolarHBondContact CA-OG1 3.28Å; D403-T406 PolarHBondContact O-N 2.81Å; D403-T406 PolarHBondContact O-OG1 3.34Å; D403-S407 WeakPolarHBondContact O-CB 3.48Å; D403-S407 PolarHBondContact O-N 2.93Å; D403-S407 PolarHBondContact O-OG 2.94Å |
| 404 | M | 83.4 | Confident | 89.1 | Confident | 14 Ų | 14 | 39.7 Ų | 39.7 | 7% | 0.069 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.8 | -51.4 | 169.7 | 178.5 | -177.8 | 166.8 | 0 | 0 | 110.8 | L375 L390 L392 I400 A401 Q402 T406 S407 F408 L414 I416 | L375-M404 HydrophobicContact CB-SD 4.48Å; L375-M404 HydrophobicContact CD2-CE 3.29Å; L375-M404 HydrophobicContact CD2-CG 3.83Å; L375-M404 HydrophobicContact CD2-SD 3.52Å; L375-M404 VanDerWaalsContact CD2-SD 3.52Å; L390-M404 HydrophobicContact CD2-CE 3.96Å; L392-M404 HydrophobicContact CD1-CE 3.95Å; I400-M404 HydrophobicContact CG1-SD 4.17Å; A401-M404 VanDerWaalsContact O-CB 3.3Å; A401-M404 WeakPolarHBondContact O-CB 3.14Å; A401-M404 PolarHBondContact O-N 2.8Å; Q402-M404 VanDerWaalsContact C-N 3.25Å; Q402-M404 PolarHBondContact O-N 3.01Å; M404-T406 VanDerWaalsContact C-N 3.35Å; M404-T406 PolarHBondContact O-N 2.94Å; M404-S407 WeakPolarHBondContact O-CB 3.45Å; M404-S407 PolarHBondContact O-N 3.34Å; M404-S407 VanDerWaalsContact O-N 3.11Å; M404-F408 HydrophobicContact CE-CE2 4.19Å; M404-F408 HydrophobicContact CG-CD2 4.09Å; M404-F408 HydrophobicContact CG-CE2 3.82Å; M404-F408 WeakPolarHBondContact O-CD2 3.01Å; M404-F408 PolarHBondContact O-N 3.36Å; M404-L414 HydrophobicContact CE-CD1 3.98Å; M404-L414 HydrophobicContact CE-CD2 4.13Å; M404-I416 HydrophobicContact CE-CD1 4.07Å |
| 405 | L | 84.7 | Confident | 89.5 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | -179.4 | -59.3 | -173.3 | 0 | 0 | 0 | 112.1 | Q402 D403 S407 F408 L414 L427 I439 L461 | Q402-L405 WeakPolarHBondContact O-CB 3.14Å; Q402-L405 PolarHBondContact O-N 2.88Å; D403-L405 PolarHBondContact O-N 2.87Å; L405-S407 PolarHBondContact O-N 3.07Å; L405-F408 PolarHBondContact O-N 3.47Å; L405-L414 HydrophobicContact CD2-CD2 4.32Å; L405-L427 HydrophobicContact CD1-CD2 3.71Å; L405-L427 HydrophobicContact CG-CD2 4.08Å; L405-I439 HydrophobicContact CD2-CD1 3.55Å; L405-L461 HydrophobicContact CD1-CD1 4.26Å; L405-L461 HydrophobicContact CD1-CD2 3.79Å; L405-L461 HydrophobicContact CD1-CG 4.03Å |
| 406 | T | 82.2 | Confident | 89.8 | Confident | 62 Ų | 62 | 39.3 Ų | 39.3 | 38% | 0.38 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.4 | -23.6 | 178.7 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | Q402 D403 M404 F408 | Q402-T406 PolarHBondContact O-N 3.03Å; D403-T406 WeakPolarHBondContact CA-OG1 3.28Å; D403-T406 PolarHBondContact O-N 2.81Å; D403-T406 PolarHBondContact O-OG1 3.34Å; M404-T406 VanDerWaalsContact C-N 3.35Å; M404-T406 PolarHBondContact O-N 2.94Å; T406-F408 VanDerWaalsContact C-N 3.34Å |
| 407 | S | 86.2 | Confident | 89.7 | Confident | 36 Ų | 36 | 36.3 Ų | 36.3 | 25% | 0.252 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -82.2 | -11.1 | 179.2 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | N384 D403 M404 L405 P409 | N384-S407 WeakPolarHBondContact CB-O 3.44Å; N384-S407 PolarHBondContact ND2-O 3.44Å; D403-S407 WeakPolarHBondContact O-CB 3.48Å; D403-S407 PolarHBondContact O-N 2.93Å; D403-S407 PolarHBondContact O-OG 2.94Å; M404-S407 WeakPolarHBondContact O-CB 3.45Å; M404-S407 PolarHBondContact O-N 3.34Å; M404-S407 VanDerWaalsContact O-N 3.11Å; L405-S407 PolarHBondContact O-N 3.07Å; S407-P409 WeakPolarHBondContact O-CD 3.47Å |
| 408 | F | 91 | Very high | 89.4 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | trans | -118.8 | 73.6 | 179.2 | -64.8 | -73.9 | 0 | 0 | 0 | 112.1 | L375 L377 W383 N384 L387 L390 M404 L405 T406 K410 L411 | L375-F408 HydrophobicContact CD2-CE2 3.93Å; L375-F408 HydrophobicContact CD2-CZ 4.2Å; L377-F408 HydrophobicContact CD1-CD2 4.27Å; L377-F408 HydrophobicContact CD1-CE2 3.64Å; L377-F408 HydrophobicContact CD1-CZ 3.84Å; L377-F408 HydrophobicContact CD2-CE1 4.48Å; L377-F408 HydrophobicContact CD2-CE2 4.34Å; L377-F408 HydrophobicContact CD2-CZ 3.77Å; L377-F408 HydrophobicContact CG-CZ 4.42Å; W383-F408 HydrophobicContact CE3-CE1 4.19Å; W383-F408 AromaticContact CH2-CE1 3.9Å; W383-F408 HydrophobicContact CH2-CE1 3.9Å; W383-F408 AromaticContact CH2-CZ 3.85Å; W383-F408 HydrophobicContact CH2-CZ 3.85Å; W383-F408 AromaticContact CZ3-CE1 3.54Å; W383-F408 HydrophobicContact CZ3-CE1 3.54Å; W383-F408 AromaticContact CZ3-CZ 3.94Å; W383-F408 HydrophobicContact CZ3-CZ 3.94Å; N384-F408 HydrophobicContact CB-CD1 3.43Å; N384-F408 VanDerWaalsContact CB-CD1 3.43Å; N384-F408 HydrophobicContact CB-CE1 3.32Å; N384-F408 HydrophobicContact CB-CG 4.38Å; N384-F408 HydrophobicContact CB-CZ 4.23Å; L387-F408 HydrophobicContact CB-CD1 4.28Å; L387-F408 HydrophobicContact CD2-CD1 4.01Å; L387-F408 HydrophobicContact CD2-CE1 3.78Å; L390-F408 HydrophobicContact CD2-CE1 4.41Å; L390-F408 HydrophobicContact CD2-CE2 4.06Å; L390-F408 HydrophobicContact CD2-CZ 3.9Å; M404-F408 HydrophobicContact CE-CE2 4.19Å; M404-F408 HydrophobicContact CG-CD2 4.09Å; M404-F408 HydrophobicContact CG-CE2 3.82Å; M404-F408 WeakPolarHBondContact O-CD2 3.01Å; M404-F408 PolarHBondContact O-N 3.36Å; L405-F408 PolarHBondContact O-N 3.47Å; T406-F408 VanDerWaalsContact C-N 3.34Å; F408-K410 PolarHBondContact O-N 3.31Å; F408-K410 VanDerWaalsContact O-N 3.1Å; F408-L411 HydrophobicContact CB-CB 3.76Å; F408-L411 HydrophobicContact CB-CD2 4.07Å; F408-L411 HydrophobicContact CB-CG 4.48Å; F408-L411 HydrophobicContact CD2-CD2 4.45Å; F408-L411 HydrophobicContact CG-CD2 4.3Å; F408-L411 PolarHBondContact O-N 3.27Å | ||
| 409 | P | 90.3 | Very high | 89.3 | Confident | 62 Ų | 62 | 34.6 Ų | 34.6 | 40% | 0.403 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -13.9 | -169.3 | 28.1 | -37.2 | 0 | 0 | 0 | 115.1 | S407 K438 | S407-P409 WeakPolarHBondContact O-CD 3.47Å; P409-K438 WeakPolarHBondContact O-CD 3.4Å; P409-K438 WeakPolarHBondContact O-CG 3.4Å |
| 410 | K | 94.6 | Very high | 89.4 | Confident | 88 Ų | 88 | 32.6 Ų | 32.6 | 38% | 0.383 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 4.3 | -179.6 | -62.8 | -169.6 | -165 | 170.4 | 0 | 114.2 | E385 N386 L387 F408 E412 | E385-K410 WeakPolarHBondContact O-CD 3.36Å; E385-K410 WeakPolarHBondContact O-CE 3.28Å; E385-K410 WeakPolarHBondContact O-CG 3.44Å; N386-K410 PolarHBondContact OD1-NZ 3.28Å; L387-K410 CarbonylContact O-C 3.42Å; F408-K410 PolarHBondContact O-N 3.31Å; F408-K410 VanDerWaalsContact O-N 3.1Å; K410-E412 PolarHBondContact O-N 3.2Å |
| 411 | L | 95.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | trans | -69.9 | 124.8 | -175.2 | -169.8 | 72.3 | 0 | 0 | 0 | 110.8 | L387 L390 F408 L414 K438 I439 | L387-L411 HydrophobicContact CD2-CD1 4.12Å; L387-L411 HydrophobicContact CG-CD1 4.22Å; L387-L411 VanDerWaalsContact O-CA 3.26Å; L387-L411 WeakPolarHBondContact O-CA 3.33Å; L387-L411 PolarHBondContact O-N 3.27Å; L387-L411 VanDerWaalsContact O-N 3.11Å; L390-L411 HydrophobicContact CB-CD1 3.71Å; L390-L411 HydrophobicContact CB-CD2 4.39Å; F408-L411 HydrophobicContact CB-CB 3.76Å; F408-L411 HydrophobicContact CB-CD2 4.07Å; F408-L411 HydrophobicContact CB-CG 4.48Å; F408-L411 HydrophobicContact CD2-CD2 4.45Å; F408-L411 HydrophobicContact CG-CD2 4.3Å; F408-L411 PolarHBondContact O-N 3.27Å; L411-L414 HydrophobicContact CD2-CB 4.1Å; L411-L414 HydrophobicContact CD2-CD1 4.23Å; L411-L414 HydrophobicContact CD2-CD2 4.31Å; L411-L414 HydrophobicContact CD2-CG 4.45Å; L411-K438 CarbonylContact O-C 3.49Å; L411-I439 HydrophobicContact CB-CG1 4.41Å; L411-I439 HydrophobicContact CD2-CD1 4.17Å; L411-I439 HydrophobicContact CD2-CG1 4.25Å; L411-I439 HydrophobicContact CG-CG1 4.3Å; L411-I439 VanDerWaalsContact O-CA 3.29Å; L411-I439 WeakPolarHBondContact O-CA 3.44Å; L411-I439 PolarHBondContact O-N 2.99Å | ||
| 412 | E | 97.7 | Very high | 90.1 | Very high | 84 Ų | 84 | 36.4 Ų | 36.4 | 39% | 0.393 | 19% | 0.188 | S | C | . | . | trans | -108.5 | -34.9 | -177.6 | -67.1 | 171.5 | -155.5 | 0 | 0 | 111 | K388 K410 V440 R441 | K388-E412 IonicContact NZ-OE1 3.24Å; K388-E412 PolarHBondContact O-N 3.35Å; K410-E412 PolarHBondContact O-N 3.2Å; E412-V440 HydrophobicContact CB-CG2 4.44Å; E412-V440 WeakPolarHBondContact O-CA 3.46Å; E412-V440 PolarHBondContact O-N 3.17Å; E412-R441 PolarHBondContact O-N 3.28Å | ||
| 413 | H | 97.5 | Very high | 90.4 | Very high | 43 Ų | 43 | 39 Ų | 39 | 20% | 0.199 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.4 | 177.9 | -175 | 38.1 | 0 | 0 | 0 | 111.7 | K388 E389 L390 R441 | K388-H413 PolarHBondContact O-N 3.36Å; E389-H413 WeakPolarHBondContact CA-O 3.38Å; E389-H413 HydrophobicContact CB-CB 4.39Å; E389-H413 HydrophobicContact CG-CB 4.11Å; E389-H413 IonicContact OE2-CD2 3.47Å; E389-H413 PolarHBondContact OE2-CD2 3.4Å; L390-H413 PolarHBondContact N-O 3.23Å; H413-R441 HydrophobicContact CB-CB 4.47Å; H413-R441 VanDerWaalsContact ND1-CB 3.29Å; H413-R441 WeakPolarHBondContact ND1-CB 3.33Å; H413-R441 PolarHBondContact ND1-O 3.36Å |
| 414 | L | 96.7 | Very high | 91 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 119.3 | 175.8 | -179.7 | 55.8 | 0 | 0 | 0 | 109.8 | L390 L392 I400 M404 L405 L411 I416 I439 R441 L442 N443 | L390-L414 HydrophobicContact CB-CD1 4.02Å; L390-L414 HydrophobicContact CD2-CD1 4.01Å; L390-L414 HydrophobicContact CG-CD1 4.04Å; L392-L414 HydrophobicContact CD1-CD1 4.31Å; I400-L414 HydrophobicContact CD1-CD2 4.21Å; M404-L414 HydrophobicContact CE-CD1 3.98Å; M404-L414 HydrophobicContact CE-CD2 4.13Å; L405-L414 HydrophobicContact CD2-CD2 4.32Å; L411-L414 HydrophobicContact CD2-CB 4.1Å; L411-L414 HydrophobicContact CD2-CD1 4.23Å; L411-L414 HydrophobicContact CD2-CD2 4.31Å; L411-L414 HydrophobicContact CD2-CG 4.45Å; L414-I416 HydrophobicContact CD1-CD1 3.7Å; L414-I416 HydrophobicContact CD1-CG1 3.71Å; L414-I416 HydrophobicContact CD2-CD1 3.63Å; L414-I416 HydrophobicContact CD2-CG1 4.44Å; L414-I416 HydrophobicContact CG-CD1 3.66Å; L414-I416 HydrophobicContact CG-CG1 3.92Å; L414-I439 HydrophobicContact CB-CD1 4.22Å; L414-I439 HydrophobicContact CD2-CD1 3.84Å; L414-R441 PolarHBondContact N-O 3.15Å; L414-L442 HydrophobicContact CB-CD1 4.1Å; L414-L442 HydrophobicContact CD2-CD1 3.93Å; L414-L442 HydrophobicContact CG-CD1 4.01Å; L414-L442 WeakPolarHBondContact O-CA 3.39Å; L414-N443 PolarHBondContact O-N 3.25Å |
| 415 | D | 93.8 | Very high | 91.3 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 10% | 0.102 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 110.6 | 172 | -167.8 | -24.8 | 0 | 0 | 0 | 110.3 | L390 L391 L392 R393 S417 N443 | L390-D415 PolarHBondContact O-N 3.29Å; L391-D415 HydrophobicContact CD2-CB 3.8Å; L392-D415 CarbonylContact C-O 3.53Å; L392-D415 WeakPolarHBondContact CA-O 3.49Å; L392-D415 WeakPolarHBondContact CB-O 3.38Å; L392-D415 PolarHBondContact N-O 2.78Å; R393-D415 PolarHBondContact N-O 3.21Å; D415-S417 WeakPolarHBondContact OD1-CB 3.34Å; D415-S417 PolarHBondContact OD1-N 3.01Å; D415-S417 PolarHBondContact OD1-OG 3.45Å; D415-N443 HydrophobicContact CB-CB 4.23Å; D415-N443 PolarHBondContact OD1-ND2 2.93Å; D415-N443 PolarHBondContact OD2-ND2 2.8Å |
| 416 | I | 93.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | trans | -122.2 | 30.4 | 173.3 | -55.1 | 160.9 | 0 | 0 | 0 | 109 | L392 L397 I400 M404 L414 N419 I421 N443 N447 | L392-I416 HydrophobicContact CB-CG1 4.05Å; L392-I416 HydrophobicContact CD1-CD1 4.49Å; L392-I416 HydrophobicContact CD1-CG1 4.03Å; L397-I416 HydrophobicContact CD1-CG2 3.64Å; I400-I416 HydrophobicContact CD1-CD1 3.48Å; I400-I416 VanDerWaalsContact CD1-CD1 3.48Å; I400-I416 HydrophobicContact CG1-CD1 4.15Å; M404-I416 HydrophobicContact CE-CD1 4.07Å; L414-I416 HydrophobicContact CD1-CD1 3.7Å; L414-I416 HydrophobicContact CD1-CG1 3.71Å; L414-I416 HydrophobicContact CD2-CD1 3.63Å; L414-I416 HydrophobicContact CD2-CG1 4.44Å; L414-I416 HydrophobicContact CG-CD1 3.66Å; L414-I416 HydrophobicContact CG-CG1 3.92Å; I416-N419 HydrophobicContact CG2-CB 4.19Å; I416-N419 PolarHBondContact O-ND2 3.44Å; I416-I421 HydrophobicContact CG2-CD1 3.63Å; I416-N443 CarbonylContact C-O 3.57Å; I416-N443 PolarHBondContact N-O 2.85Å; I416-N447 PolarHBondContact O-ND2 3.45Å | ||
| 417 | S | 88.2 | Confident | 91.8 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | trans | -64.5 | 161 | 175.6 | 60.2 | 0 | 0 | 0 | 0 | 112 | R393 H394 D415 N419 N443 A445 | R393-S417 WeakPolarHBondContact CA-O 3.38Å; R393-S417 VanDerWaalsContact CD-OG 3.29Å; R393-S417 WeakPolarHBondContact CD-OG 3.24Å; R393-S417 WeakPolarHBondContact CG-O 3.18Å; R393-S417 VanDerWaalsContact CG-OG 3.26Å; R393-S417 WeakPolarHBondContact CG-OG 3.33Å; H394-S417 PolarHBondContact N-O 2.93Å; H394-S417 VanDerWaalsContact N-O 3.12Å; D415-S417 WeakPolarHBondContact OD1-CB 3.34Å; D415-S417 PolarHBondContact OD1-N 3.01Å; D415-S417 PolarHBondContact OD1-OG 3.45Å; S417-N419 VanDerWaalsContact C-N 3.26Å; S417-N419 PolarHBondContact O-N 2.82Å; S417-N419 PolarHBondContact O-ND2 3.04Å; S417-N443 PolarHBondContact N-O 2.95Å; S417-N443 PolarHBondContact OG-ND2 2.89Å; S417-A445 CarbonylContact C-O 3.01Å; S417-A445 WeakPolarHBondContact CA-O 3.37Å; S417-A445 WeakPolarHBondContact CB-O 3.06Å | ||
| 418 | Q | 86.2 | Confident | 91.9 | Very high | 39 Ų | 39 | 36 Ų | 36 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 54.8 | 41 | 175.9 | -55 | -169.2 | -23.7 | 0 | 0 | 113.6 | R393 H394 A445 G446 | R393-Q418 HydrophobicContact CG-CB 4.07Å; R393-Q418 HydrophobicContact CG-CG 4.3Å; R393-Q418 VanDerWaalsContact NE-CD 3.25Å; H394-Q418 VanDerWaalsContact CA-O 3.27Å; H394-Q418 WeakPolarHBondContact CA-O 3.43Å; H394-Q418 HydrophobicContact CB-CB 4.49Å; H394-Q418 PolarHBondContact N-O 3.5Å; Q418-A445 PolarHBondContact N-O 2.93Å; Q418-G446 VanDerWaalsContact CA-O 3.27Å; Q418-G446 WeakPolarHBondContact CA-O 3.3Å |
| 419 | N | 87.2 | Confident | 91.6 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -111.9 | -166.1 | 171.5 | -83.9 | -88.1 | 0 | 0 | 0 | 108.3 | L392 N395 L397 I416 S417 I421 N447 | L392-N419 PolarHBondContact O-ND2 2.89Å; N395-N419 VanDerWaalsContact CA-OD1 3.32Å; N395-N419 WeakPolarHBondContact CA-OD1 3.28Å; N395-N419 VanDerWaalsContact CB-OD1 3.23Å; N395-N419 WeakPolarHBondContact CB-OD1 3.45Å; N395-N419 PolarHBondContact N-OD1 2.93Å; N395-N419 PolarHBondContact O-OD1 3.08Å; L397-N419 HydrophobicContact CB-CB 4.09Å; L397-N419 WeakPolarHBondContact CB-OD1 3.29Å; L397-N419 WeakPolarHBondContact CG-OD1 3.46Å; L397-N419 PolarHBondContact N-OD1 3.46Å; I416-N419 HydrophobicContact CG2-CB 4.19Å; I416-N419 PolarHBondContact O-ND2 3.44Å; S417-N419 VanDerWaalsContact C-N 3.26Å; S417-N419 PolarHBondContact O-N 2.82Å; S417-N419 PolarHBondContact O-ND2 3.04Å; N419-I421 HydrophobicContact CB-CG1 4.42Å; N419-N447 WeakPolarHBondContact CA-OD1 3.09Å; N419-N447 VanDerWaalsContact CB-OD1 3.26Å; N419-N447 WeakPolarHBondContact CB-OD1 3.25Å; N419-N447 PolarHBondContact N-OD1 2.72Å; N419-N447 PolarHBondContact O-OD1 3.37Å |
| 420 | Y | 91.8 | Very high | 91.2 | Very high | 68 Ų | 68 | 45 Ų | 45 | 27% | 0.267 | 22% | 0.215 | S | C | . | . | trans | -112 | 24.2 | -174.5 | -62.1 | -95.5 | 0 | 0 | 0 | 112.3 | N395 F396 L397 D422 N447 N448 | N395-Y420 WeakPolarHBondContact O-CE2 3.37Å; F396-Y420 HydrophobicContact CD1-CD2 4.31Å; F396-Y420 AromaticContact CD1-CE2 3.55Å; F396-Y420 HydrophobicContact CD1-CE2 3.55Å; F396-Y420 HydrophobicContact CE1-CE2 4.2Å; L397-Y420 CarbonylContact O-C 3.26Å; L397-Y420 WeakPolarHBondContact O-CA 3.33Å; L397-Y420 PolarHBondContact O-N 3.25Å; Y420-D422 PolarHBondContact O-N 3.27Å; Y420-N447 PolarHBondContact N-OD1 3.47Å; Y420-N448 WeakPolarHBondContact CA-ND2 3.22Å; Y420-N448 PolarHBondContact O-ND2 3.32Å | ||
| 421 | I | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -68.7 | 122 | -176 | -57.6 | 173.2 | 0 | 0 | 0 | 110 | L397 T398 I400 I416 N419 N423 L424 L444 N447 N448 L449 | L397-I421 PolarHBondContact O-N 3.03Å; T398-I421 WeakPolarHBondContact O-CA 3.2Å; I400-I421 HydrophobicContact CB-CD1 4.22Å; I400-I421 HydrophobicContact CG2-CD1 4.22Å; I416-I421 HydrophobicContact CG2-CD1 3.63Å; N419-I421 HydrophobicContact CB-CG1 4.42Å; I421-N423 WeakPolarHBondContact CG2-O 3.4Å; I421-L424 HydrophobicContact CG2-CD2 4.21Å; I421-L444 HydrophobicContact CD1-CD2 4.22Å; I421-N447 HydrophobicContact CB-CB 4.21Å; I421-N447 VanDerWaalsContact CB-OD1 3.3Å; I421-N447 WeakPolarHBondContact CB-OD1 3.09Å; I421-N447 WeakPolarHBondContact CG1-OD1 3.46Å; I421-N447 PolarHBondContact N-OD1 3.32Å; I421-N447 WeakPolarHBondContact O-CB 3.47Å; I421-N448 CarbonylContact O-C 3.59Å; I421-N448 WeakPolarHBondContact O-CA 3.19Å; I421-N448 PolarHBondContact O-N 3.2Å; I421-L449 HydrophobicContact CG2-CD2 4.14Å; I421-L449 PolarHBondContact O-N 3.39Å | ||
| 422 | D | 92.9 | Very high | 89.1 | Confident | 105 Ų | 105 | 58.3 Ų | 58.3 | 56% | 0.561 | 28% | 0.275 | S | S | * | . | trans | -107.9 | -16 | -178.9 | 63.2 | 1 | 0 | 0 | 0 | 113.9 | Y420 N448 | Y420-D422 PolarHBondContact O-N 3.27Å; D422-N448 HydrophobicContact CB-CB 4.03Å | ||
| 423 | N | 91 | Very high | 87.9 | Confident | 81 Ų | 81 | 62.4 Ų | 62.4 | 43% | 0.433 | 29% | 0.294 | S | S | . | . | trans | -149.8 | 149.6 | -178.8 | -179.6 | 26.3 | 0 | 0 | 0 | 112.2 | I421 S425 | I421-N423 WeakPolarHBondContact CG2-O 3.4Å; N423-S425 VanDerWaalsContact CG-OG 3.28Å; N423-S425 VanDerWaalsContact ND2-CB 3.28Å; N423-S425 WeakPolarHBondContact ND2-CB 3.34Å; N423-S425 PolarHBondContact ND2-OG 2.82Å; N423-S425 PolarHBondContact OD1-N 3.39Å; N423-S425 VanDerWaalsContact OD1-N 3.13Å; N423-S425 PolarHBondContact OD1-OG 2.87Å | ||
| 424 | L | 93.4 | Very high | 86.8 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | trans | -104.8 | 0.4 | 179.8 | -59.8 | -178.6 | 0 | 0 | 0 | 114 | I400 I421 E426 L427 L444 L449 L452 V457 F481 | I400-L424 HydrophobicContact CG2-CD2 4.02Å; I421-L424 HydrophobicContact CG2-CD2 4.21Å; L424-E426 PolarHBondContact O-N 3.2Å; L424-L427 HydrophobicContact CB-CD1 4.37Å; L424-L427 HydrophobicContact CD2-CD1 4.27Å; L424-L427 WeakPolarHBondContact O-CB 3.34Å; L424-L427 PolarHBondContact O-N 3.37Å; L424-L444 HydrophobicContact CD1-CD1 4.29Å; L424-L444 HydrophobicContact CD2-CD1 4.07Å; L424-L449 HydrophobicContact CD1-CD1 4.46Å; L424-L449 HydrophobicContact CD2-CD1 4.5Å; L424-L449 HydrophobicContact CD2-CD2 4.04Å; L424-L449 HydrophobicContact CG-CD2 3.96Å; L424-L452 HydrophobicContact CD1-CD2 4.17Å; L424-V457 HydrophobicContact CB-CB 4.46Å; L424-V457 HydrophobicContact CB-CG1 4.02Å; L424-V457 VanDerWaalsContact O-CG1 3.28Å; L424-V457 WeakPolarHBondContact O-CG1 3.46Å; L424-F481 HydrophobicContact CD1-CZ 4.45Å | ||
| 425 | S | 88.9 | Confident | 86.1 | Confident | 55 Ų | 55 | 67.3 Ų | 67.3 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -58 | -24.8 | -173 | -56.5 | 0 | 0 | 0 | 0 | 114.5 | N423 L427 S428 | N423-S425 VanDerWaalsContact CG-OG 3.28Å; N423-S425 VanDerWaalsContact ND2-CB 3.28Å; N423-S425 WeakPolarHBondContact ND2-CB 3.34Å; N423-S425 PolarHBondContact ND2-OG 2.82Å; N423-S425 PolarHBondContact OD1-N 3.39Å; N423-S425 VanDerWaalsContact OD1-N 3.13Å; N423-S425 PolarHBondContact OD1-OG 2.87Å; S425-L427 PolarHBondContact O-N 3.02Å; S425-S428 WeakPolarHBondContact O-CB 3.29Å; S425-S428 PolarHBondContact O-N 2.88Å; S425-S428 PolarHBondContact O-OG 3.31Å |
| 426 | E | 88.4 | Confident | 85.7 | Confident | 72 Ų | 72 | 69.2 Ų | 69.2 | 34% | 0.336 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -73.6 | -11 | 177.1 | -69.8 | -165.4 | -149.6 | 0 | 0 | 113.6 | R399 I400 A401 Q402 L424 S428 | R399-E426 VanDerWaalsContact CD-OE1 3.23Å; R399-E426 WeakPolarHBondContact CD-OE1 3.46Å; R399-E426 WeakPolarHBondContact CD-OE2 3.36Å; R399-E426 IonicContact NH1-OE1 3.55Å; R399-E426 PolarHBondContact NH1-OE1 2.9Å; R399-E426 IonicContact NH1-OE2 3.71Å; R399-E426 PolarHBondContact NH1-OE2 2.84Å; I400-E426 WeakPolarHBondContact O-CB 3.42Å; A401-E426 CarbonylContact C-O 3.53Å; A401-E426 WeakPolarHBondContact CA-O 3.37Å; A401-E426 HydrophobicContact CB-CB 4.17Å; Q402-E426 PolarHBondContact N-O 3.46Å; L424-E426 PolarHBondContact O-N 3.2Å; E426-S428 VanDerWaalsContact C-N 3.32Å |
| 427 | L | 89.6 | Confident | 85.6 | Confident | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.016 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -75.9 | -20.6 | 169.9 | -70.5 | 177.5 | 0 | 0 | 0 | 113.1 | I400 Q402 L405 L424 S425 P429 V457 | I400-L427 HydrophobicContact CB-CD2 4.41Å; I400-L427 HydrophobicContact CD1-CD2 4.03Å; I400-L427 HydrophobicContact CG1-CD2 3.82Å; I400-L427 HydrophobicContact CG2-CD1 3.92Å; I400-L427 HydrophobicContact CG2-CD2 4.09Å; I400-L427 HydrophobicContact CG2-CG 3.89Å; Q402-L427 WeakPolarHBondContact CG-O 3.21Å; L405-L427 HydrophobicContact CD1-CD2 3.71Å; L405-L427 HydrophobicContact CG-CD2 4.08Å; L424-L427 HydrophobicContact CB-CD1 4.37Å; L424-L427 HydrophobicContact CD2-CD1 4.27Å; L424-L427 WeakPolarHBondContact O-CB 3.34Å; L424-L427 PolarHBondContact O-N 3.37Å; S425-L427 PolarHBondContact O-N 3.02Å; L427-P429 WeakPolarHBondContact O-CD 3.06Å; L427-V457 HydrophobicContact CB-CB 3.99Å; L427-V457 HydrophobicContact CB-CG1 4.42Å |
| 428 | S | 88.6 | Confident | 85.8 | Confident | 18 Ų | 18 | 74.7 Ų | 74.7 | 13% | 0.126 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -68.3 | 126.9 | -176.8 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | S425 E426 R430 D454 S456 V457 | S425-S428 WeakPolarHBondContact O-CB 3.29Å; S425-S428 PolarHBondContact O-N 2.88Å; S425-S428 PolarHBondContact O-OG 3.31Å; E426-S428 VanDerWaalsContact C-N 3.32Å; S428-R430 PolarHBondContact O-N 2.96Å; S428-D454 PolarHBondContact OG-OD2 2.71Å; S428-S456 VanDerWaalsContact CB-OG 3.22Å; S428-S456 WeakPolarHBondContact CB-OG 3.5Å; S428-S456 PolarHBondContact OG-OG 3.21Å; S428-V457 VanDerWaalsContact OG-CG1 3.3Å; S428-V457 WeakPolarHBondContact OG-CG1 3.34Å; S428-V457 PolarHBondContact OG-N 2.73Å |
| 429 | P | 85 | Confident | 86.2 | Confident | 26 Ų | 26 | 72.9 Ų | 72.9 | 17% | 0.169 | 36% | 0.36 | C | S | . | . | trans | -61.9 | 127.8 | -176 | -28.2 | 37.6 | 0 | 0 | 0 | 115.1 | Q402 L427 V434 S456 L459 | Q402-P429 VanDerWaalsContact CD-CA 3.44Å; Q402-P429 HydrophobicContact CG-CG 4.38Å; Q402-P429 VanDerWaalsContact NE2-CB 3.27Å; L427-P429 WeakPolarHBondContact O-CD 3.06Å; P429-V434 HydrophobicContact CB-CG1 4.38Å; P429-V434 HydrophobicContact CB-CG2 3.68Å; P429-V434 HydrophobicContact CG-CG1 3.84Å; P429-V434 HydrophobicContact CG-CG2 3.89Å; P429-S456 VanDerWaalsContact CD-O 3.29Å; P429-S456 WeakPolarHBondContact CD-O 3.19Å; P429-L459 HydrophobicContact CB-CD2 4.4Å; P429-L459 HydrophobicContact CG-CB 4.02Å; P429-L459 HydrophobicContact CG-CD2 3.94Å; P429-L459 HydrophobicContact CG-CG 4.3Å | ||
| 430 | R | 81.4 | Confident | 86.7 | Confident | 226 Ų | 226 | 74.9 Ų | 74.9 | 85% | 0.853 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -82.8 | -22.5 | 174 | -65.3 | -173.9 | -178.1 | -176 | 2.2 | 113.2 | S428 | S428-R430 PolarHBondContact O-N 2.96Š|
| 431 | Q | 76.1 | Confident | 87 | Confident | 151 Ų | 151 | 77.4 Ų | 77.4 | 71% | 0.706 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -99.2 | 153.5 | -177.5 | -64.8 | -179.6 | -6.3 | 0 | 0 | 111.3 | ||
| 432 | K | 70.8 | Confident | 87.2 | Confident | 217 Ų | 217 | 77.8 Ų | 77.8 | 94% | 0.943 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -69.3 | -37.8 | 179.2 | -82.7 | -175.7 | 176.2 | 179.1 | 0 | 113.3 | ||
| 433 | E | 72.3 | Confident | 87.2 | Confident | 170 Ų | 170 | 74.1 Ų | 74.1 | 79% | 0.794 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -91.1 | 123.4 | 175.6 | -72.7 | -177.4 | 178.2 | 0 | 0 | 109.5 | ||
| 434 | V | 74.3 | Confident | 87.4 | Confident | 48 Ų | 48 | 70.4 Ų | 70.4 | 29% | 0.291 | 34% | 0.344 | S | S | . | . | trans | -112.6 | 119.6 | -174.4 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | P429 L459 | P429-V434 HydrophobicContact CB-CG1 4.38Å; P429-V434 HydrophobicContact CB-CG2 3.68Å; P429-V434 HydrophobicContact CG-CG1 3.84Å; P429-V434 HydrophobicContact CG-CG2 3.89Å; V434-L459 HydrophobicContact CG1-CG 4.37Å; V434-L459 HydrophobicContact CG2-CD2 3.8Å; V434-L459 HydrophobicContact CG2-CG 4.21Å | ||
| 435 | V | 81.5 | Confident | 87.3 | Confident | 97 Ų | 97 | 70.5 Ų | 70.5 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -76.5 | 124.1 | 171 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | ||
| 436 | A | 86.6 | Confident | 87.3 | Confident | 60 Ų | 60 | 68.8 Ų | 68.8 | 50% | 0.496 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 129.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 437 | S | 90 | Very high | 87.3 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -77 | 149.6 | 171.3 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | I439 S460 S463 | S437-I439 WeakPolarHBondContact OG-CG1 3.29Å; S437-I439 PolarHBondContact OG-N 3.38Å; S437-S460 WeakPolarHBondContact CB-O 3.44Å; S437-S460 PolarHBondContact N-O 2.9Å; S437-S463 PolarHBondContact O-OG 3.4Å |
| 438 | K | 93.6 | Very high | 87.5 | Confident | 114 Ų | 114 | 67.4 Ų | 67.4 | 50% | 0.496 | 33% | 0.333 | S | S | . | . | trans | -93.1 | 5.4 | 175.2 | -65.9 | -160.7 | -176 | -173.8 | 0 | 113.9 | P409 L411 V440 | P409-K438 WeakPolarHBondContact O-CD 3.4Å; P409-K438 WeakPolarHBondContact O-CG 3.4Å; L411-K438 CarbonylContact O-C 3.49Å; K438-V440 WeakPolarHBondContact O-CG2 3.48Å; K438-V440 PolarHBondContact O-N 3.2Å; K438-V440 VanDerWaalsContact O-N 3.15Å | ||
| 439 | I | 95.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | trans | -60 | 121.9 | -178.3 | -69.4 | 170.4 | 0 | 0 | 0 | 109.5 | L405 L411 L414 S437 L442 L461 S463 M464 | L405-I439 HydrophobicContact CD2-CD1 3.55Å; L411-I439 HydrophobicContact CB-CG1 4.41Å; L411-I439 HydrophobicContact CD2-CD1 4.17Å; L411-I439 HydrophobicContact CD2-CG1 4.25Å; L411-I439 HydrophobicContact CG-CG1 4.3Å; L411-I439 VanDerWaalsContact O-CA 3.29Å; L411-I439 WeakPolarHBondContact O-CA 3.44Å; L411-I439 PolarHBondContact O-N 2.99Å; L414-I439 HydrophobicContact CB-CD1 4.22Å; L414-I439 HydrophobicContact CD2-CD1 3.84Å; S437-I439 WeakPolarHBondContact OG-CG1 3.29Å; S437-I439 PolarHBondContact OG-N 3.38Å; I439-L442 HydrophobicContact CG2-CB 4.15Å; I439-L461 HydrophobicContact CB-CD2 3.98Å; I439-L461 HydrophobicContact CD1-CD2 3.87Å; I439-L461 HydrophobicContact CG1-CD2 4.44Å; I439-L461 HydrophobicContact CG2-CD2 4.39Å; I439-S463 CarbonylContact O-C 3.58Å; I439-S463 VanDerWaalsContact O-C 3.28Å; I439-M464 VanDerWaalsContact O-CA 3.27Å; I439-M464 WeakPolarHBondContact O-CA 3.36Å; I439-M464 PolarHBondContact O-N 3.33Å | ||
| 440 | V | 97.3 | Very high | 88.3 | Confident | 47 Ų | 47 | 70.1 Ų | 70.1 | 29% | 0.285 | 34% | 0.339 | S | S | . | . | trans | -99 | -37.8 | 175.9 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | E412 K438 A465 Y466 | E412-V440 HydrophobicContact CB-CG2 4.44Å; E412-V440 WeakPolarHBondContact O-CA 3.46Å; E412-V440 PolarHBondContact O-N 3.17Å; K438-V440 WeakPolarHBondContact O-CG2 3.48Å; K438-V440 PolarHBondContact O-N 3.2Å; K438-V440 VanDerWaalsContact O-N 3.15Å; V440-A465 HydrophobicContact CG1-CB 3.87Å; V440-A465 PolarHBondContact O-N 2.94Å; V440-Y466 HydrophobicContact CG1-CD2 4.31Å; V440-Y466 PolarHBondContact O-N 3.45Å | ||
| 441 | R | 97.7 | Very high | 89 | Confident | 122 Ų | 122 | 62.3 Ų | 62.3 | 46% | 0.46 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 116.2 | -177.8 | -62.5 | -162.7 | 170.8 | 108.1 | 2.4 | 111.1 | E412 H413 L414 Y466 | E412-R441 PolarHBondContact O-N 3.28Å; H413-R441 HydrophobicContact CB-CB 4.47Å; H413-R441 VanDerWaalsContact ND1-CB 3.29Å; H413-R441 WeakPolarHBondContact ND1-CB 3.33Å; H413-R441 PolarHBondContact ND1-O 3.36Å; L414-R441 PolarHBondContact N-O 3.15Å; R441-Y466 HydrophobicContact CG-CD2 3.61Å; R441-Y466 HydrophobicContact CG-CE2 4.45Å; R441-Y466 HydrophobicContact CG-CG 4Å |
| 442 | L | 96.6 | Very high | 90 | Very high | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 119.5 | 175.1 | -179.2 | 60 | 0 | 0 | 0 | 110.3 | L414 I439 L444 L461 M464 Y466 L467 D468 | L414-L442 HydrophobicContact CB-CD1 4.1Å; L414-L442 HydrophobicContact CD2-CD1 3.93Å; L414-L442 HydrophobicContact CG-CD1 4.01Å; L414-L442 WeakPolarHBondContact O-CA 3.39Å; I439-L442 HydrophobicContact CG2-CB 4.15Å; L442-L444 HydrophobicContact CD1-CG 4.33Å; L442-L444 HydrophobicContact CD2-CD1 3.87Å; L442-L444 HydrophobicContact CD2-CG 4.3Å; L442-L444 HydrophobicContact CG-CD1 4.15Å; L442-L444 HydrophobicContact CG-CG 4.06Å; L442-L461 HydrophobicContact CD2-CD1 4.43Å; L442-M464 HydrophobicContact CB-CE 3.84Å; L442-M464 HydrophobicContact CB-SD 4.05Å; L442-M464 HydrophobicContact CD2-CE 3.58Å; L442-M464 HydrophobicContact CD2-SD 4.46Å; L442-M464 HydrophobicContact CG-CE 4.37Å; L442-Y466 PolarHBondContact N-O 3.31Å; L442-L467 HydrophobicContact CB-CD1 4.2Å; L442-L467 HydrophobicContact CD2-CD1 4.1Å; L442-L467 HydrophobicContact CG-CD1 4.19Å; L442-L467 WeakPolarHBondContact O-CA 3.33Å; L442-D468 PolarHBondContact O-N 2.97Å |
| 443 | N | 93.9 | Very high | 91.1 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 15% | 0.15 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 116.9 | 174 | -174.1 | 2.6 | 0 | 0 | 0 | 110.4 | L414 D415 I416 S417 A445 D468 | L414-N443 PolarHBondContact O-N 3.25Å; D415-N443 HydrophobicContact CB-CB 4.23Å; D415-N443 PolarHBondContact OD1-ND2 2.93Å; D415-N443 PolarHBondContact OD2-ND2 2.8Å; I416-N443 CarbonylContact C-O 3.57Å; I416-N443 PolarHBondContact N-O 2.85Å; S417-N443 PolarHBondContact N-O 2.95Å; S417-N443 PolarHBondContact OG-ND2 2.89Å; N443-A445 VanDerWaalsContact OD1-CB 3.26Å; N443-A445 WeakPolarHBondContact OD1-CB 3.16Å; N443-A445 PolarHBondContact OD1-N 3.39Å; N443-D468 HydrophobicContact CB-CB 4.47Å |
| 444 | L | 95.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | trans | -121.3 | 16.2 | 177.2 | -70.6 | 168.3 | 0 | 0 | 0 | 111.3 | I421 L424 L442 N447 L449 L467 D468 L469 N472 | I421-L444 HydrophobicContact CD1-CD2 4.22Å; L424-L444 HydrophobicContact CD1-CD1 4.29Å; L424-L444 HydrophobicContact CD2-CD1 4.07Å; L442-L444 HydrophobicContact CD1-CG 4.33Å; L442-L444 HydrophobicContact CD2-CD1 3.87Å; L442-L444 HydrophobicContact CD2-CG 4.3Å; L442-L444 HydrophobicContact CG-CD1 4.15Å; L442-L444 HydrophobicContact CG-CG 4.06Å; L444-N447 PolarHBondContact O-ND2 2.9Å; L444-L449 HydrophobicContact CB-CD1 4.47Å; L444-L467 HydrophobicContact CD1-CD1 4.39Å; L444-D468 CarbonylContact C-O 3.57Å; L444-D468 WeakPolarHBondContact CA-O 3.45Å; L444-D468 WeakPolarHBondContact CB-O 3.46Å; L444-D468 PolarHBondContact N-O 2.95Å; L444-L469 HydrophobicContact CB-CD2 4.12Å; L444-L469 HydrophobicContact CD1-CD2 4.09Å; L444-N472 PolarHBondContact O-ND2 3.45Å | ||
| 445 | A | 90.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 8% | 0.083 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 152.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S417 Q418 N443 N447 D468 S470 | S417-A445 CarbonylContact C-O 3.01Å; S417-A445 WeakPolarHBondContact CA-O 3.37Å; S417-A445 WeakPolarHBondContact CB-O 3.06Å; Q418-A445 PolarHBondContact N-O 2.93Å; N443-A445 VanDerWaalsContact OD1-CB 3.26Å; N443-A445 WeakPolarHBondContact OD1-CB 3.16Å; N443-A445 PolarHBondContact OD1-N 3.39Å; A445-N447 VanDerWaalsContact C-N 3.32Å; A445-N447 PolarHBondContact O-N 2.83Å; A445-N447 PolarHBondContact O-ND2 2.89Å; A445-D468 PolarHBondContact N-O 3.14Å; A445-S470 CarbonylContact C-O 3.53Å; A445-S470 WeakPolarHBondContact CA-O 3.33Å; A445-S470 WeakPolarHBondContact CB-O 3.26Å |
| 446 | G | 87.7 | Confident | 93.4 | Very high | 20 Ų | 20 | 38.9 Ų | 38.9 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 26 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q418 S470 H471 | Q418-G446 VanDerWaalsContact CA-O 3.27Å; Q418-G446 WeakPolarHBondContact CA-O 3.3Å; G446-S470 PolarHBondContact N-O 2.64Å; G446-H471 WeakPolarHBondContact CA-O 3.2Å; G446-H471 PolarHBondContact N-O 3.31Å |
| 447 | N | 88.8 | Confident | 93.7 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -100.5 | -170.3 | 173.9 | -82 | -79.2 | 0 | 0 | 0 | 110.2 | I416 N419 Y420 I421 L444 A445 L449 N472 | I416-N447 PolarHBondContact O-ND2 3.45Å; N419-N447 WeakPolarHBondContact CA-OD1 3.09Å; N419-N447 VanDerWaalsContact CB-OD1 3.26Å; N419-N447 WeakPolarHBondContact CB-OD1 3.25Å; N419-N447 PolarHBondContact N-OD1 2.72Å; N419-N447 PolarHBondContact O-OD1 3.37Å; Y420-N447 PolarHBondContact N-OD1 3.47Å; I421-N447 HydrophobicContact CB-CB 4.21Å; I421-N447 VanDerWaalsContact CB-OD1 3.3Å; I421-N447 WeakPolarHBondContact CB-OD1 3.09Å; I421-N447 WeakPolarHBondContact CG1-OD1 3.46Å; I421-N447 PolarHBondContact N-OD1 3.32Å; I421-N447 WeakPolarHBondContact O-CB 3.47Å; L444-N447 PolarHBondContact O-ND2 2.9Å; A445-N447 VanDerWaalsContact C-N 3.32Å; A445-N447 PolarHBondContact O-N 2.83Å; A445-N447 PolarHBondContact O-ND2 2.89Å; N447-L449 HydrophobicContact CB-CG 4.38Å; N447-N472 VanDerWaalsContact CA-OD1 3.27Å; N447-N472 WeakPolarHBondContact CA-OD1 3.39Å; N447-N472 WeakPolarHBondContact CB-OD1 3.4Å; N447-N472 PolarHBondContact N-OD1 2.97Å; N447-N472 PolarHBondContact O-OD1 2.81Å |
| 448 | N | 94 | Very high | 93.7 | Very high | 41 Ų | 41 | 36.2 Ų | 36.2 | 22% | 0.219 | 19% | 0.191 | C | C | . | . | trans | -103.6 | 25.4 | -178.2 | -63 | -40.9 | 0 | 0 | 0 | 112.7 | Y420 I421 D422 | Y420-N448 WeakPolarHBondContact CA-ND2 3.22Å; Y420-N448 PolarHBondContact O-ND2 3.32Å; I421-N448 CarbonylContact O-C 3.59Å; I421-N448 WeakPolarHBondContact O-CA 3.19Å; I421-N448 PolarHBondContact O-N 3.2Å; D422-N448 HydrophobicContact CB-CB 4.03Å | ||
| 449 | L | 95.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | trans | -67.6 | 135.1 | -176.6 | -59.7 | 174.2 | 0 | 0 | 0 | 110.9 | I421 L424 L444 N447 L469 N472 E473 I474 | I421-L449 HydrophobicContact CG2-CD2 4.14Å; I421-L449 PolarHBondContact O-N 3.39Å; L424-L449 HydrophobicContact CD1-CD1 4.46Å; L424-L449 HydrophobicContact CD2-CD1 4.5Å; L424-L449 HydrophobicContact CD2-CD2 4.04Å; L424-L449 HydrophobicContact CG-CD2 3.96Å; L444-L449 HydrophobicContact CB-CD1 4.47Å; N447-L449 HydrophobicContact CB-CG 4.38Å; L449-L469 HydrophobicContact CD1-CD2 3.81Å; L449-N472 HydrophobicContact CB-CB 4.15Å; L449-N472 VanDerWaalsContact CB-OD1 3.26Å; L449-N472 WeakPolarHBondContact CB-OD1 3.44Å; L449-N472 WeakPolarHBondContact CG-OD1 3.33Å; L449-N472 PolarHBondContact N-OD1 2.95Å; L449-E473 CarbonylContact O-C 3.58Å; L449-E473 VanDerWaalsContact O-CA 3.31Å; L449-E473 WeakPolarHBondContact O-CA 3.33Å; L449-E473 PolarHBondContact O-N 3.37Å; L449-I474 HydrophobicContact CB-CD1 4.32Å; L449-I474 HydrophobicContact CB-CG1 3.97Å; L449-I474 WeakPolarHBondContact O-CG1 3.43Å; L449-I474 PolarHBondContact O-N 2.84Å; L449-I474 VanDerWaalsContact O-N 3.14Å | ||
| 450 | K | 95.3 | Very high | 93.2 | Very high | 98 Ų | 98 | 34.8 Ų | 34.8 | 43% | 0.426 | 19% | 0.188 | S | C | . | . | trans | -123.5 | -42.8 | -175.7 | -74.5 | 175 | -176 | 176.3 | 0 | 114.4 | E473 I474 F475 | K450-E473 WeakPolarHBondContact CE-OE1 3.15Å; K450-E473 HydrophobicContact CG-CB 3.75Å; K450-E473 IonicContact NZ-OE1 3.69Å; K450-I474 WeakPolarHBondContact O-CA 3.46Å; K450-F475 HydrophobicContact CB-CD1 4.3Å; K450-F475 HydrophobicContact CB-CE1 3.98Å; K450-F475 WeakPolarHBondContact O-CD1 3.46Å; K450-F475 PolarHBondContact O-N 3.32Å | ||
| 451 | V | 96.1 | Very high | 93 | Very high | 63 Ų | 63 | 32.6 Ų | 32.6 | 38% | 0.382 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 129.3 | -176 | -168.9 | 0 | 0 | 0 | 0 | 109.2 | T453 F475 H476 | V451-T453 HydrophobicContact CG1-CG2 3.66Å; V451-F475 HydrophobicContact CG2-CD1 4.46Å; V451-F475 HydrophobicContact CG2-CE1 3.59Å; V451-F475 HydrophobicContact CG2-CE2 4.06Å; V451-F475 HydrophobicContact CG2-CZ 3.35Å; V451-H476 HydrophobicContact CG1-CB 4.2Å |
| 452 | L | 96.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 101.6 | 179.6 | -58.5 | -177.2 | 0 | 0 | 0 | 109.5 | L424 L469 I474 H476 I477 S478 F481 | L424-L452 HydrophobicContact CD1-CD2 4.17Å; L452-L469 HydrophobicContact CD1-CD1 3.94Å; L452-I474 HydrophobicContact CD1-CD1 3.88Å; L452-I474 HydrophobicContact CD1-CG1 4.41Å; L452-I474 HydrophobicContact CD1-CG2 4.21Å; L452-I474 HydrophobicContact CG-CD1 4.5Å; L452-I474 HydrophobicContact CG-CG2 4.26Å; L452-H476 PolarHBondContact N-O 3.37Å; L452-I477 HydrophobicContact CB-CG1 4.29Å; L452-I477 HydrophobicContact CB-CG2 4.38Å; L452-I477 HydrophobicContact CD1-CD1 4.32Å; L452-I477 HydrophobicContact CD1-CG1 4.21Å; L452-I477 CarbonylContact O-C 3.21Å; L452-I477 WeakPolarHBondContact O-CA 3.34Å; L452-S478 PolarHBondContact O-N 3.12Å; L452-F481 HydrophobicContact CB-CD1 4.01Å; L452-F481 HydrophobicContact CB-CD2 3.86Å; L452-F481 HydrophobicContact CB-CE1 3.88Å; L452-F481 HydrophobicContact CB-CE2 3.74Å; L452-F481 HydrophobicContact CB-CG 4Å; L452-F481 HydrophobicContact CB-CZ 3.74Å; L452-F481 HydrophobicContact CD1-CD1 4.34Å; L452-F481 HydrophobicContact CD1-CE1 3.67Å; L452-F481 HydrophobicContact CD1-CZ 3.87Å; L452-F481 HydrophobicContact CD2-CE2 4.37Å; L452-F481 HydrophobicContact CD2-CZ 4.02Å; L452-F481 HydrophobicContact CG-CE1 4.27Å; L452-F481 HydrophobicContact CG-CE2 4.48Å; L452-F481 HydrophobicContact CG-CZ 4.09Å |
| 453 | T | 94 | Very high | 92.3 | Very high | 79 Ų | 79 | 32.8 Ų | 32.8 | 49% | 0.485 | 20% | 0.196 | S | C | . | . | trans | -120.1 | -33.5 | -174.5 | 53.6 | 0 | 0 | 0 | 0 | 115.6 | V451 P455 S478 | V451-T453 HydrophobicContact CG1-CG2 3.66Å; T453-P455 VanDerWaalsContact O-CD 3.28Å; T453-P455 WeakPolarHBondContact O-CD 3.41Å; T453-S478 WeakPolarHBondContact CA-OG 3.13Å; T453-S478 PolarHBondContact O-OG 3.23Å | ||
| 454 | D | 93.2 | Very high | 92.3 | Very high | 47 Ų | 47 | 31.6 Ų | 31.6 | 25% | 0.251 | 19% | 0.189 | S | C | . | . | trans | -90.7 | 111.2 | -170.6 | -179 | 7 | 0 | 0 | 0 | 111.1 | S428 S456 V457 | S428-D454 PolarHBondContact OG-OD2 2.71Å; D454-S456 VanDerWaalsContact C-N 3.28Å; D454-S456 PolarHBondContact O-N 3.23Å; D454-S456 VanDerWaalsContact OD1-CB 3.31Å; D454-S456 WeakPolarHBondContact OD1-CB 3.37Å; D454-S456 PolarHBondContact OD1-N 2.92Å; D454-S456 PolarHBondContact OD1-OG 3.3Å; D454-S456 PolarHBondContact OD2-OG 3.49Å; D454-V457 HydrophobicContact CB-CG1 4.23Å; D454-V457 VanDerWaalsContact O-CG2 3.27Å; D454-V457 WeakPolarHBondContact O-CG2 3.39Å | ||
| 455 | P | 92.5 | Very high | 92.4 | Very high | 24 Ų | 24 | 32 Ų | 32 | 16% | 0.156 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -71.3 | -21 | 175.9 | 27 | -33.4 | 0 | 0 | 0 | 114.1 | T453 V457 F458 T480 F481 M483 L484 | T453-P455 VanDerWaalsContact O-CD 3.28Å; T453-P455 WeakPolarHBondContact O-CD 3.41Å; P455-V457 PolarHBondContact O-N 2.91Å; P455-V457 VanDerWaalsContact O-N 3.16Å; P455-F458 PolarHBondContact O-N 2.88Å; P455-F458 VanDerWaalsContact O-N 3.13Å; P455-T480 VanDerWaalsContact CB-O 3.32Å; P455-T480 WeakPolarHBondContact CB-O 3.19Å; P455-F481 WeakPolarHBondContact CA-O 3.05Å; P455-M483 HydrophobicContact CG-CE 4.3Å; P455-L484 HydrophobicContact CB-CG 4.48Å; P455-L484 WeakPolarHBondContact O-CD1 3.41Å |
| 456 | S | 91.3 | Very high | 92.7 | Very high | 36 Ų | 36 | 35 Ų | 35 | 25% | 0.252 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -67.7 | -15.2 | -174.4 | 70.3 | 0 | 0 | 0 | 0 | 113.1 | S428 P429 D454 F458 L459 | S428-S456 VanDerWaalsContact CB-OG 3.22Å; S428-S456 WeakPolarHBondContact CB-OG 3.5Å; S428-S456 PolarHBondContact OG-OG 3.21Å; P429-S456 VanDerWaalsContact CD-O 3.29Å; P429-S456 WeakPolarHBondContact CD-O 3.19Å; D454-S456 VanDerWaalsContact C-N 3.28Å; D454-S456 PolarHBondContact O-N 3.23Å; D454-S456 VanDerWaalsContact OD1-CB 3.31Å; D454-S456 WeakPolarHBondContact OD1-CB 3.37Å; D454-S456 PolarHBondContact OD1-N 2.92Å; D454-S456 PolarHBondContact OD1-OG 3.3Å; D454-S456 PolarHBondContact OD2-OG 3.49Å; S456-F458 PolarHBondContact O-N 2.88Å; S456-F458 VanDerWaalsContact O-N 3.13Å; S456-L459 WeakPolarHBondContact O-CB 3.1Å; S456-L459 PolarHBondContact O-N 2.99Å |
| 457 | V | 91.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -57 | -25.7 | 170.9 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | L424 L427 S428 D454 P455 F481 | L424-V457 HydrophobicContact CB-CB 4.46Å; L424-V457 HydrophobicContact CB-CG1 4.02Å; L424-V457 VanDerWaalsContact O-CG1 3.28Å; L424-V457 WeakPolarHBondContact O-CG1 3.46Å; L427-V457 HydrophobicContact CB-CB 3.99Å; L427-V457 HydrophobicContact CB-CG1 4.42Å; S428-V457 VanDerWaalsContact OG-CG1 3.3Å; S428-V457 WeakPolarHBondContact OG-CG1 3.34Å; S428-V457 PolarHBondContact OG-N 2.73Å; D454-V457 HydrophobicContact CB-CG1 4.23Å; D454-V457 VanDerWaalsContact O-CG2 3.27Å; D454-V457 WeakPolarHBondContact O-CG2 3.39Å; P455-V457 PolarHBondContact O-N 2.91Å; P455-V457 VanDerWaalsContact O-N 3.16Å; V457-F481 HydrophobicContact CG2-CE2 3.95Å; V457-F481 HydrophobicContact CG2-CZ 4.41Å |
| 458 | F | 92 | Very high | 93.4 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -97.4 | -0.2 | 178.8 | -60.1 | -62.8 | 0 | 0 | 0 | 114.1 | P455 S456 S460 L461 M464 L467 F481 F482 L484 T485 | P455-F458 PolarHBondContact O-N 2.88Å; P455-F458 VanDerWaalsContact O-N 3.13Å; S456-F458 PolarHBondContact O-N 2.88Å; S456-F458 VanDerWaalsContact O-N 3.13Å; F458-S460 PolarHBondContact O-N 3.32Å; F458-S460 VanDerWaalsContact O-N 3.11Å; F458-L461 HydrophobicContact CD1-CD1 4.02Å; F458-L461 PolarHBondContact O-N 2.89Å; F458-M464 HydrophobicContact CD1-CE 4.24Å; F458-M464 HydrophobicContact CE1-CE 4.3Å; F458-L467 HydrophobicContact CE1-CD2 4.28Å; F458-L467 HydrophobicContact CZ-CD2 4.13Å; F458-F481 WeakPolarHBondContact CD2-O 3.24Å; F458-F481 AromaticContact CE2-CD1 3.95Å; F458-F481 HydrophobicContact CE2-CD1 3.95Å; F458-F481 HydrophobicContact CE2-CD2 4.19Å; F458-F481 AromaticContact CE2-CE1 3.47Å; F458-F481 HydrophobicContact CE2-CE1 3.47Å; F458-F481 VanDerWaalsContact CE2-CE1 3.47Å; F458-F481 AromaticContact CE2-CE2 3.73Å; F458-F481 HydrophobicContact CE2-CE2 3.73Å; F458-F481 HydrophobicContact CE2-CG 4.3Å; F458-F481 AromaticContact CE2-CZ 3.34Å; F458-F481 HydrophobicContact CE2-CZ 3.34Å; F458-F481 HydrophobicContact CZ-CD1 4.49Å; F458-F481 AromaticContact CZ-CE1 3.61Å; F458-F481 HydrophobicContact CZ-CE1 3.61Å; F458-F481 HydrophobicContact CZ-CE2 4.22Å; F458-F481 AromaticContact CZ-CZ 3.44Å; F458-F481 HydrophobicContact CZ-CZ 3.44Å; F458-F481 VanDerWaalsContact CZ-CZ 3.44Å; F458-F482 HydrophobicContact CE2-CD1 4.21Å; F458-F482 HydrophobicContact CE2-CE1 4.47Å; F458-F482 HydrophobicContact CZ-CE1 4.4Å; F458-L484 HydrophobicContact CB-CB 4.29Å; F458-T485 HydrophobicContact CB-CG2 3.46Å; F458-T485 VanDerWaalsContact CB-CG2 3.46Å; F458-T485 HydrophobicContact CD1-CG2 3.75Å; F458-T485 HydrophobicContact CD2-CG2 3.8Å; F458-T485 HydrophobicContact CE1-CG2 4.43Å; F458-T485 HydrophobicContact CE2-CG2 4.45Å; F458-T485 HydrophobicContact CG-CG2 3.4Å |
| 459 | L | 89.9 | Confident | 93.5 | Very high | 83 Ų | 83 | 34.2 Ų | 34.2 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -31.9 | -174.5 | -173.2 | 63.7 | 0 | 0 | 0 | 112.5 | P429 V434 S456 L484 | P429-L459 HydrophobicContact CB-CD2 4.4Å; P429-L459 HydrophobicContact CG-CB 4.02Å; P429-L459 HydrophobicContact CG-CD2 3.94Å; P429-L459 HydrophobicContact CG-CG 4.3Å; V434-L459 HydrophobicContact CG1-CG 4.37Å; V434-L459 HydrophobicContact CG2-CD2 3.8Å; V434-L459 HydrophobicContact CG2-CG 4.21Å; S456-L459 WeakPolarHBondContact O-CB 3.1Å; S456-L459 PolarHBondContact O-N 2.99Å; L459-L484 HydrophobicContact CB-CD1 4.08Å; L459-L484 HydrophobicContact CD1-CD1 3.84Å |
| 460 | S | 88.2 | Confident | 93.3 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -19.7 | 174 | 64.3 | 0 | 0 | 0 | 0 | 113.7 | S437 F458 S462 | S437-S460 WeakPolarHBondContact CB-O 3.44Å; S437-S460 PolarHBondContact N-O 2.9Å; F458-S460 PolarHBondContact O-N 3.32Å; F458-S460 VanDerWaalsContact O-N 3.11Å; S460-S462 VanDerWaalsContact C-N 3.29Å; S460-S462 PolarHBondContact O-N 2.63Å; S460-S462 VanDerWaalsContact O-N 3.17Å |
| 461 | L | 91.9 | Very high | 93 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | trans | -93.1 | 39.3 | -169.4 | -65.1 | 163 | 0 | 0 | 0 | 113.3 | L405 I439 L442 F458 S463 M464 | L405-L461 HydrophobicContact CD1-CD1 4.26Å; L405-L461 HydrophobicContact CD1-CD2 3.79Å; L405-L461 HydrophobicContact CD1-CG 4.03Å; I439-L461 HydrophobicContact CB-CD2 3.98Å; I439-L461 HydrophobicContact CD1-CD2 3.87Å; I439-L461 HydrophobicContact CG1-CD2 4.44Å; I439-L461 HydrophobicContact CG2-CD2 4.39Å; L442-L461 HydrophobicContact CD2-CD1 4.43Å; F458-L461 HydrophobicContact CD1-CD1 4.02Å; F458-L461 PolarHBondContact O-N 2.89Å; L461-S463 PolarHBondContact O-N 2.84Å; L461-S463 VanDerWaalsContact O-N 3.1Å; L461-M464 HydrophobicContact CB-CE 3.72Å; L461-M464 HydrophobicContact CD1-CE 3.61Å; L461-M464 HydrophobicContact CD2-CE 4.07Å; L461-M464 HydrophobicContact CG-CE 4Å; L461-M464 WeakPolarHBondContact O-CB 3.29Å; L461-M464 PolarHBondContact O-N 2.77Å; L461-M464 VanDerWaalsContact O-N 3.16Å | ||
| 462 | S | 87.2 | Confident | 92.7 | Very high | 76 Ų | 76 | 31.2 Ų | 31.2 | 53% | 0.531 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -20.5 | -173 | 60.5 | 0 | 0 | 0 | 0 | 115.7 | S460 | S460-S462 VanDerWaalsContact C-N 3.29Å; S460-S462 PolarHBondContact O-N 2.63Å; S460-S462 VanDerWaalsContact O-N 3.17Å |
| 463 | S | 92.5 | Very high | 92.6 | Very high | 56 Ų | 56 | 33.1 Ų | 33.1 | 39% | 0.392 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -1.8 | -179.4 | -55.6 | 0 | 0 | 0 | 0 | 114.1 | S437 I439 L461 A465 | S437-S463 PolarHBondContact O-OG 3.4Å; I439-S463 CarbonylContact O-C 3.58Å; I439-S463 VanDerWaalsContact O-C 3.28Å; L461-S463 PolarHBondContact O-N 2.84Å; L461-S463 VanDerWaalsContact O-N 3.1Å; S463-A465 PolarHBondContact O-N 3.4Å |
| 464 | M | 94.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | trans | -67.1 | 128.4 | -171.2 | -165.6 | -175.1 | -58.3 | 0 | 0 | 112 | I439 L442 F458 L461 L467 G487 L488 | I439-M464 VanDerWaalsContact O-CA 3.27Å; I439-M464 WeakPolarHBondContact O-CA 3.36Å; I439-M464 PolarHBondContact O-N 3.33Å; L442-M464 HydrophobicContact CB-CE 3.84Å; L442-M464 HydrophobicContact CB-SD 4.05Å; L442-M464 HydrophobicContact CD2-CE 3.58Å; L442-M464 HydrophobicContact CD2-SD 4.46Å; L442-M464 HydrophobicContact CG-CE 4.37Å; F458-M464 HydrophobicContact CD1-CE 4.24Å; F458-M464 HydrophobicContact CE1-CE 4.3Å; L461-M464 HydrophobicContact CB-CE 3.72Å; L461-M464 HydrophobicContact CD1-CE 3.61Å; L461-M464 HydrophobicContact CD2-CE 4.07Å; L461-M464 HydrophobicContact CG-CE 4Å; L461-M464 WeakPolarHBondContact O-CB 3.29Å; L461-M464 PolarHBondContact O-N 2.77Å; L461-M464 VanDerWaalsContact O-N 3.16Å; M464-L467 HydrophobicContact SD-CB 3.91Å; M464-L467 HydrophobicContact SD-CD1 4.04Å; M464-L467 HydrophobicContact SD-CD2 4.46Å; M464-L467 HydrophobicContact SD-CG 4.35Å; M464-G487 CarbonylContact O-C 3.39Å; M464-L488 HydrophobicContact CB-CD2 4.35Å; M464-L488 HydrophobicContact CG-CD2 3.81Å; M464-L488 HydrophobicContact SD-CD2 3.97Å | ||
| 465 | A | 96.7 | Very high | 92.9 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 10% | 0.099 | 17% | 0.174 | C | C | . | . | trans | -115.5 | -26.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V440 S463 E489 S490 | V440-A465 HydrophobicContact CG1-CB 3.87Å; V440-A465 PolarHBondContact O-N 2.94Å; S463-A465 PolarHBondContact O-N 3.4Å; A465-E489 HydrophobicContact CB-CG 4.28Å; A465-E489 WeakPolarHBondContact O-CA 3.48Å; A465-E489 PolarHBondContact O-N 3.35Å; A465-S490 PolarHBondContact O-N 2.89Å | ||
| 466 | Y | 97.8 | Very high | 93.1 | Very high | 72 Ų | 72 | 35.4 Ų | 35.4 | 28% | 0.282 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 128.6 | -179.3 | -54.5 | -100.4 | 0 | 0 | 0 | 110.5 | V440 R441 L442 | V440-Y466 HydrophobicContact CG1-CD2 4.31Å; V440-Y466 PolarHBondContact O-N 3.45Å; R441-Y466 HydrophobicContact CG-CD2 3.61Å; R441-Y466 HydrophobicContact CG-CE2 4.45Å; R441-Y466 HydrophobicContact CG-CG 4Å; L442-Y466 PolarHBondContact N-O 3.31Å |
| 467 | L | 97.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 124.2 | 176.5 | 178.8 | 60.3 | 0 | 0 | 0 | 110 | L442 L444 F458 M464 L469 F482 L488 S490 I491 S492 | L442-L467 HydrophobicContact CB-CD1 4.2Å; L442-L467 HydrophobicContact CD2-CD1 4.1Å; L442-L467 HydrophobicContact CG-CD1 4.19Å; L442-L467 WeakPolarHBondContact O-CA 3.33Å; L444-L467 HydrophobicContact CD1-CD1 4.39Å; F458-L467 HydrophobicContact CE1-CD2 4.28Å; F458-L467 HydrophobicContact CZ-CD2 4.13Å; M464-L467 HydrophobicContact SD-CB 3.91Å; M464-L467 HydrophobicContact SD-CD1 4.04Å; M464-L467 HydrophobicContact SD-CD2 4.46Å; M464-L467 HydrophobicContact SD-CG 4.35Å; L467-L469 HydrophobicContact CD1-CD2 4.39Å; L467-L469 HydrophobicContact CD1-CG 4.25Å; L467-L469 HydrophobicContact CD2-CD1 3.86Å; L467-L469 HydrophobicContact CD2-CG 4.24Å; L467-L469 HydrophobicContact CG-CD1 4.13Å; L467-L469 HydrophobicContact CG-CG 3.99Å; L467-F482 HydrophobicContact CD2-CE1 3.89Å; L467-L488 HydrophobicContact CB-CD2 3.91Å; L467-L488 HydrophobicContact CD2-CD1 4.45Å; L467-S490 PolarHBondContact N-O 3.45Å; L467-I491 WeakPolarHBondContact O-CA 3.23Å; L467-S492 PolarHBondContact O-N 2.82Å |
| 468 | D | 94.2 | Very high | 93.4 | Very high | 45 Ų | 45 | 34.9 Ų | 34.9 | 24% | 0.241 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121 | 173.4 | -160.9 | -18.4 | 0 | 0 | 0 | 110.4 | L442 N443 L444 A445 S470 S492 | L442-D468 PolarHBondContact O-N 2.97Å; N443-D468 HydrophobicContact CB-CB 4.47Å; L444-D468 CarbonylContact C-O 3.57Å; L444-D468 WeakPolarHBondContact CA-O 3.45Å; L444-D468 WeakPolarHBondContact CB-O 3.46Å; L444-D468 PolarHBondContact N-O 2.95Å; A445-D468 PolarHBondContact N-O 3.14Å; D468-S470 WeakPolarHBondContact OD1-CB 3.2Å; D468-S470 PolarHBondContact OD1-N 2.92Å; D468-S470 PolarHBondContact OD1-OG 2.62Å; D468-S492 WeakPolarHBondContact OD1-CB 3.23Å |
| 469 | L | 96.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | trans | -122.7 | 14.7 | 179.7 | -67.8 | 167 | 0 | 0 | 0 | 110.8 | L444 L449 L452 L467 N472 I474 S492 M493 N496 | L444-L469 HydrophobicContact CB-CD2 4.12Å; L444-L469 HydrophobicContact CD1-CD2 4.09Å; L449-L469 HydrophobicContact CD1-CD2 3.81Å; L452-L469 HydrophobicContact CD1-CD1 3.94Å; L467-L469 HydrophobicContact CD1-CD2 4.39Å; L467-L469 HydrophobicContact CD1-CG 4.25Å; L467-L469 HydrophobicContact CD2-CD1 3.86Å; L467-L469 HydrophobicContact CD2-CG 4.24Å; L467-L469 HydrophobicContact CG-CD1 4.13Å; L467-L469 HydrophobicContact CG-CG 3.99Å; L469-N472 PolarHBondContact O-ND2 3Å; L469-I474 HydrophobicContact CB-CD1 3.92Å; L469-I474 HydrophobicContact CD2-CD1 4.47Å; L469-S492 PolarHBondContact N-O 2.86Å; L469-M493 HydrophobicContact CB-CG 4.05Å; L469-M493 HydrophobicContact CD1-CG 4.23Å; L469-N496 PolarHBondContact O-ND2 2.95Å | ||
| 470 | S | 89.6 | Confident | 93.6 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.028 | 20% | 0.2 | C | C | . | . | trans | -66.2 | 160.6 | -173.9 | -48.7 | 0 | 0 | 0 | 0 | 112.2 | A445 G446 D468 N472 S492 E494 | A445-S470 CarbonylContact C-O 3.53Å; A445-S470 WeakPolarHBondContact CA-O 3.33Å; A445-S470 WeakPolarHBondContact CB-O 3.26Å; G446-S470 PolarHBondContact N-O 2.64Å; D468-S470 WeakPolarHBondContact OD1-CB 3.2Å; D468-S470 PolarHBondContact OD1-N 2.92Å; D468-S470 PolarHBondContact OD1-OG 2.62Å; S470-N472 VanDerWaalsContact C-N 3.27Å; S470-N472 PolarHBondContact O-N 3.27Å; S470-N472 PolarHBondContact O-ND2 3.06Å; S470-N472 VanDerWaalsContact O-ND2 3.12Å; S470-S492 VanDerWaalsContact OG-CB 3.32Å; S470-S492 WeakPolarHBondContact OG-CB 3.27Å; S470-E494 CarbonylContact C-O 3.52Å; S470-E494 WeakPolarHBondContact CA-O 3.31Å; S470-E494 WeakPolarHBondContact CB-O 3.29Å; S470-E494 PolarHBondContact OG-N 3.11Å | ||
| 471 | H | 89.4 | Confident | 93.9 | Very high | 86 Ų | 86 | 37.7 Ų | 37.7 | 40% | 0.398 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 54.4 | 39.9 | 177.9 | -49.1 | -75.2 | 0 | 0 | 0 | 113.8 | G446 E494 D495 | G446-H471 WeakPolarHBondContact CA-O 3.2Å; G446-H471 PolarHBondContact N-O 3.31Å; H471-E494 PolarHBondContact N-O 3.26Å; H471-D495 VanDerWaalsContact CA-O 3.26Å; H471-D495 WeakPolarHBondContact CA-O 3.24Å; H471-D495 IonicContact CE1-OD2 3.49Å; H471-D495 PolarHBondContact CE1-OD2 3.41Å; H471-D495 PolarHBondContact N-O 3.33Å; H471-D495 VanDerWaalsContact ND1-CB 3.34Å; H471-D495 WeakPolarHBondContact ND1-CB 3.45Å; H471-D495 IonicContact ND1-OD2 2.86Å; H471-D495 PolarHBondContact ND1-OD2 2.96Å |
| 472 | N | 90.3 | Very high | 94 | Very high | 11 Ų | 11 | 37.6 Ų | 37.6 | 6% | 0.059 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -108.1 | -165.9 | 170.9 | -82.5 | -92.1 | 0 | 0 | 0 | 108.9 | L444 N447 L449 L469 S470 I474 D495 N496 | L444-N472 PolarHBondContact O-ND2 3.45Å; N447-N472 VanDerWaalsContact CA-OD1 3.27Å; N447-N472 WeakPolarHBondContact CA-OD1 3.39Å; N447-N472 WeakPolarHBondContact CB-OD1 3.4Å; N447-N472 PolarHBondContact N-OD1 2.97Å; N447-N472 PolarHBondContact O-OD1 2.81Å; L449-N472 HydrophobicContact CB-CB 4.15Å; L449-N472 VanDerWaalsContact CB-OD1 3.26Å; L449-N472 WeakPolarHBondContact CB-OD1 3.44Å; L449-N472 WeakPolarHBondContact CG-OD1 3.33Å; L449-N472 PolarHBondContact N-OD1 2.95Å; L469-N472 PolarHBondContact O-ND2 3Å; S470-N472 VanDerWaalsContact C-N 3.27Å; S470-N472 PolarHBondContact O-N 3.27Å; S470-N472 PolarHBondContact O-ND2 3.06Å; S470-N472 VanDerWaalsContact O-ND2 3.12Å; N472-I474 HydrophobicContact CB-CD1 3.95Å; N472-I474 HydrophobicContact CB-CG1 3.88Å; N472-D495 PolarHBondContact N-O 3.09Å; N472-N496 WeakPolarHBondContact CA-OD1 3.46Å; N472-N496 VanDerWaalsContact CB-OD1 3.25Å; N472-N496 WeakPolarHBondContact CB-OD1 3.45Å; N472-N496 PolarHBondContact O-OD1 3.48Å |
| 473 | E | 94.5 | Very high | 94.2 | Very high | 45 Ų | 45 | 38.6 Ų | 38.6 | 21% | 0.21 | 20% | 0.197 | C | C | . | . | trans | -111.9 | 28.5 | 174.4 | -66 | -171.2 | -111.9 | 0 | 0 | 111.8 | L449 K450 F475 R497 | L449-E473 CarbonylContact O-C 3.58Å; L449-E473 VanDerWaalsContact O-CA 3.31Å; L449-E473 WeakPolarHBondContact O-CA 3.33Å; L449-E473 PolarHBondContact O-N 3.37Å; K450-E473 WeakPolarHBondContact CE-OE1 3.15Å; K450-E473 HydrophobicContact CG-CB 3.75Å; K450-E473 IonicContact NZ-OE1 3.69Å; E473-F475 PolarHBondContact O-N 3.35Å; E473-F475 VanDerWaalsContact O-N 3.15Å; E473-R497 IonicContact OE2-CZ 3.66Å; E473-R497 IonicContact OE2-NH1 2.77Å; E473-R497 PolarHBondContact OE2-NH1 2.92Å; E473-R497 IonicContact OE2-NH2 3.28Å; E473-R497 PolarHBondContact OE2-NH2 3.2Å | ||
| 474 | I | 97 | Very high | 94.2 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | trans | -68.5 | 115.6 | -170.2 | -58.2 | 160.9 | 0 | 0 | 0 | 109.7 | L449 K450 L452 L469 N472 I477 N496 R497 L498 | L449-I474 HydrophobicContact CB-CD1 4.32Å; L449-I474 HydrophobicContact CB-CG1 3.97Å; L449-I474 WeakPolarHBondContact O-CG1 3.43Å; L449-I474 PolarHBondContact O-N 2.84Å; L449-I474 VanDerWaalsContact O-N 3.14Å; K450-I474 WeakPolarHBondContact O-CA 3.46Å; L452-I474 HydrophobicContact CD1-CD1 3.88Å; L452-I474 HydrophobicContact CD1-CG1 4.41Å; L452-I474 HydrophobicContact CD1-CG2 4.21Å; L452-I474 HydrophobicContact CG-CD1 4.5Å; L452-I474 HydrophobicContact CG-CG2 4.26Å; L469-I474 HydrophobicContact CB-CD1 3.92Å; L469-I474 HydrophobicContact CD2-CD1 4.47Å; N472-I474 HydrophobicContact CB-CD1 3.95Å; N472-I474 HydrophobicContact CB-CG1 3.88Å; I474-I477 HydrophobicContact CG2-CD1 4.25Å; I474-I477 HydrophobicContact CG2-CG1 3.86Å; I474-N496 HydrophobicContact CB-CB 4.35Å; I474-N496 WeakPolarHBondContact CB-OD1 3.14Å; I474-N496 WeakPolarHBondContact CG1-OD1 3.46Å; I474-N496 PolarHBondContact N-OD1 3.27Å; I474-R497 CarbonylContact O-C 3.07Å; I474-R497 VanDerWaalsContact O-C 3.28Å; I474-R497 WeakPolarHBondContact O-CA 3.46Å; I474-R497 PolarHBondContact O-N 3.26Å; I474-L498 HydrophobicContact CG2-CD2 4.14Å; I474-L498 PolarHBondContact O-N 2.96Å | ||
| 475 | F | 96 | Very high | 94 | Very high | 108 Ų | 108 | 38.9 Ų | 38.9 | 47% | 0.474 | 19% | 0.194 | S | C | . | . | trans | -111.1 | -13.9 | 176.3 | 67.4 | -94.6 | 0 | 0 | 0 | 113.3 | K450 V451 E473 R497 | K450-F475 HydrophobicContact CB-CD1 4.3Å; K450-F475 HydrophobicContact CB-CE1 3.98Å; K450-F475 WeakPolarHBondContact O-CD1 3.46Å; K450-F475 PolarHBondContact O-N 3.32Å; V451-F475 HydrophobicContact CG2-CD1 4.46Å; V451-F475 HydrophobicContact CG2-CE1 3.59Å; V451-F475 HydrophobicContact CG2-CE2 4.06Å; V451-F475 HydrophobicContact CG2-CZ 3.35Å; E473-F475 PolarHBondContact O-N 3.35Å; E473-F475 VanDerWaalsContact O-N 3.15Å; F475-R497 HydrophobicContact CB-CB 3.9Å | ||
| 476 | H | 95.6 | Very high | 93.7 | Very high | 89 Ų | 89 | 41.7 Ų | 41.7 | 41% | 0.412 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 135.2 | -178.4 | 178.4 | -82.4 | 0 | 0 | 0 | 112.6 | V451 L452 | V451-H476 HydrophobicContact CG1-CB 4.2Å; L452-H476 PolarHBondContact N-O 3.37Å |
| 477 | I | 95.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 6% | 0.062 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 124.7 | 174 | -55.1 | -179.1 | 0 | 0 | 0 | 107.7 | L452 I474 F481 F482 M493 L498 P502 A505 | L452-I477 HydrophobicContact CB-CG1 4.29Å; L452-I477 HydrophobicContact CB-CG2 4.38Å; L452-I477 HydrophobicContact CD1-CD1 4.32Å; L452-I477 HydrophobicContact CD1-CG1 4.21Å; L452-I477 CarbonylContact O-C 3.21Å; L452-I477 WeakPolarHBondContact O-CA 3.34Å; I474-I477 HydrophobicContact CG2-CD1 4.25Å; I474-I477 HydrophobicContact CG2-CG1 3.86Å; I477-F481 HydrophobicContact CG2-CB 3.81Å; I477-F481 HydrophobicContact CG2-CD1 3.83Å; I477-F481 HydrophobicContact CG2-CG 4.09Å; I477-F482 HydrophobicContact CG2-CE2 4.22Å; I477-M493 HydrophobicContact CD1-SD 3.55Å; I477-M493 VanDerWaalsContact CD1-SD 3.55Å; I477-L498 HydrophobicContact CD1-CD1 4.4Å; I477-L498 HydrophobicContact CD1-CD2 4.19Å; I477-L498 HydrophobicContact CG1-CD2 4.12Å; I477-P502 HydrophobicContact CB-CB 4.28Å; I477-P502 HydrophobicContact CD1-CG 4.24Å; I477-A505 HydrophobicContact CG2-CB 3.96Å |
| 478 | S | 95.1 | Very high | 93.4 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 11% | 0.112 | 21% | 0.207 | C | C | . | . | trans | -69.4 | 150.7 | 178.7 | 72.3 | 0 | 0 | 0 | 0 | 111.8 | L452 T453 T480 F481 A505 | L452-S478 PolarHBondContact O-N 3.12Å; T453-S478 WeakPolarHBondContact CA-OG 3.13Å; T453-S478 PolarHBondContact O-OG 3.23Å; S478-T480 PolarHBondContact O-N 3Å; S478-T480 PolarHBondContact OG-OG1 2.95Å; S478-F481 WeakPolarHBondContact O-CB 3.33Å; S478-F481 PolarHBondContact O-N 3.07Å; S478-F481 PolarHBondContact OG-N 2.87Å; S478-A505 VanDerWaalsContact O-CB 3.3Å; S478-A505 WeakPolarHBondContact O-CB 3.17Å | ||
| 479 | D | 92.3 | Very high | 93.5 | Very high | 81 Ų | 81 | 39.3 Ų | 39.3 | 43% | 0.433 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.9 | 177.6 | -68.4 | -5 | 0 | 0 | 0 | 113.2 | R504 A505 N508 | D479-R504 HydrophobicContact CB-CB 3.87Å; D479-R504 VanDerWaalsContact OD1-CB 3.31Å; D479-R504 WeakPolarHBondContact OD1-CB 3.44Å; D479-R504 WeakPolarHBondContact OD2-CD 3.37Å; D479-R504 IonicContact OD2-NH1 3.69Å; D479-A505 WeakPolarHBondContact O-CA 3.21Å; D479-N508 PolarHBondContact O-ND2 3.09Å |
| 480 | T | 93.7 | Very high | 93.5 | Very high | 65 Ų | 65 | 40.2 Ų | 40.2 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -12.4 | -178.5 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | P455 S478 F482 M483 | P455-T480 VanDerWaalsContact CB-O 3.32Å; P455-T480 WeakPolarHBondContact CB-O 3.19Å; S478-T480 PolarHBondContact O-N 3Å; S478-T480 PolarHBondContact OG-OG1 2.95Å; T480-F482 VanDerWaalsContact C-N 3.34Å; T480-F482 PolarHBondContact O-N 3.12Å; T480-F482 VanDerWaalsContact O-N 3.17Å; T480-M483 WeakPolarHBondContact O-CB 3.38Å; T480-M483 PolarHBondContact O-N 3.04Å |
| 481 | F | 94.8 | Very high | 93.8 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -45.4 | -168.3 | -177.7 | -112.4 | 0 | 0 | 0 | 114 | L424 L452 P455 V457 F458 I477 S478 M483 | L424-F481 HydrophobicContact CD1-CZ 4.45Å; L452-F481 HydrophobicContact CB-CD1 4.01Å; L452-F481 HydrophobicContact CB-CD2 3.86Å; L452-F481 HydrophobicContact CB-CE1 3.88Å; L452-F481 HydrophobicContact CB-CE2 3.74Å; L452-F481 HydrophobicContact CB-CG 4Å; L452-F481 HydrophobicContact CB-CZ 3.74Å; L452-F481 HydrophobicContact CD1-CD1 4.34Å; L452-F481 HydrophobicContact CD1-CE1 3.67Å; L452-F481 HydrophobicContact CD1-CZ 3.87Å; L452-F481 HydrophobicContact CD2-CE2 4.37Å; L452-F481 HydrophobicContact CD2-CZ 4.02Å; L452-F481 HydrophobicContact CG-CE1 4.27Å; L452-F481 HydrophobicContact CG-CE2 4.48Å; L452-F481 HydrophobicContact CG-CZ 4.09Å; P455-F481 WeakPolarHBondContact CA-O 3.05Å; V457-F481 HydrophobicContact CG2-CE2 3.95Å; V457-F481 HydrophobicContact CG2-CZ 4.41Å; F458-F481 WeakPolarHBondContact CD2-O 3.24Å; F458-F481 AromaticContact CE2-CD1 3.95Å; F458-F481 HydrophobicContact CE2-CD1 3.95Å; F458-F481 HydrophobicContact CE2-CD2 4.19Å; F458-F481 AromaticContact CE2-CE1 3.47Å; F458-F481 HydrophobicContact CE2-CE1 3.47Å; F458-F481 VanDerWaalsContact CE2-CE1 3.47Å; F458-F481 AromaticContact CE2-CE2 3.73Å; F458-F481 HydrophobicContact CE2-CE2 3.73Å; F458-F481 HydrophobicContact CE2-CG 4.3Å; F458-F481 AromaticContact CE2-CZ 3.34Å; F458-F481 HydrophobicContact CE2-CZ 3.34Å; F458-F481 HydrophobicContact CZ-CD1 4.49Å; F458-F481 AromaticContact CZ-CE1 3.61Å; F458-F481 HydrophobicContact CZ-CE1 3.61Å; F458-F481 HydrophobicContact CZ-CE2 4.22Å; F458-F481 AromaticContact CZ-CZ 3.44Å; F458-F481 HydrophobicContact CZ-CZ 3.44Å; F458-F481 VanDerWaalsContact CZ-CZ 3.44Å; I477-F481 HydrophobicContact CG2-CB 3.81Å; I477-F481 HydrophobicContact CG2-CD1 3.83Å; I477-F481 HydrophobicContact CG2-CG 4.09Å; S478-F481 WeakPolarHBondContact O-CB 3.33Å; S478-F481 PolarHBondContact O-N 3.07Å; S478-F481 PolarHBondContact OG-N 2.87Å; F481-M483 PolarHBondContact O-N 3.37Å |
| 482 | F | 93.8 | Very high | 94 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 11.2 | 178.8 | -63.5 | -62.1 | 0 | 0 | 0 | 114.7 | F458 L467 I477 T480 L484 T485 L488 I491 A505 L506 N508 V509 | F458-F482 HydrophobicContact CE2-CD1 4.21Å; F458-F482 HydrophobicContact CE2-CE1 4.47Å; F458-F482 HydrophobicContact CZ-CE1 4.4Å; L467-F482 HydrophobicContact CD2-CE1 3.89Å; I477-F482 HydrophobicContact CG2-CE2 4.22Å; T480-F482 VanDerWaalsContact C-N 3.34Å; T480-F482 PolarHBondContact O-N 3.12Å; T480-F482 VanDerWaalsContact O-N 3.17Å; F482-L484 PolarHBondContact O-N 3.09Å; F482-L484 VanDerWaalsContact O-N 3.11Å; F482-T485 PolarHBondContact O-N 3.15Å; F482-T485 VanDerWaalsContact O-N 3.09Å; F482-T485 PolarHBondContact O-OG1 2.85Å; F482-T485 VanDerWaalsContact O-OG1 3.05Å; F482-L488 HydrophobicContact CD1-CD1 4.05Å; F482-L488 HydrophobicContact CE1-CD1 4.27Å; F482-I491 HydrophobicContact CE1-CD1 4.31Å; F482-I491 HydrophobicContact CZ-CD1 4.22Å; F482-A505 HydrophobicContact CD2-CB 3.98Å; F482-L506 HydrophobicContact CD2-CD2 4.36Å; F482-L506 HydrophobicContact CE2-CD2 4.22Å; F482-N508 HydrophobicContact CB-CB 4.36Å; F482-N508 VanDerWaalsContact O-CB 3.27Å; F482-N508 WeakPolarHBondContact O-CB 3.27Å; F482-V509 HydrophobicContact CB-CG1 3.71Å; F482-V509 HydrophobicContact CD1-CG1 4.35Å; F482-V509 HydrophobicContact CG-CG1 4.02Å |
| 483 | M | 91.7 | Very high | 94.3 | Very high | 97 Ų | 97 | 36.1 Ų | 36.1 | 48% | 0.478 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30.1 | -176.2 | -176.3 | 176.6 | 65 | 0 | 0 | 113.3 | P455 T480 F481 | P455-M483 HydrophobicContact CG-CE 4.3Å; T480-M483 WeakPolarHBondContact O-CB 3.38Å; T480-M483 PolarHBondContact O-N 3.04Å; F481-M483 PolarHBondContact O-N 3.37Å |
| 484 | L | 91.4 | Very high | 94 | Very high | 59 Ų | 59 | 35.9 Ų | 35.9 | 31% | 0.309 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 7.8 | -177.5 | -57.5 | -175.3 | 0 | 0 | 0 | 114 | P455 F458 L459 F482 P486 | P455-L484 HydrophobicContact CB-CG 4.48Å; P455-L484 WeakPolarHBondContact O-CD1 3.41Å; F458-L484 HydrophobicContact CB-CB 4.29Å; L459-L484 HydrophobicContact CB-CD1 4.08Å; L459-L484 HydrophobicContact CD1-CD1 3.84Å; F482-L484 PolarHBondContact O-N 3.09Å; F482-L484 VanDerWaalsContact O-N 3.11Å; L484-P486 WeakPolarHBondContact O-CD 3.45Å |
| 485 | T | 91.4 | Very high | 93.6 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | trans | -123.3 | 52 | -176.5 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | F458 F482 G487 L488 | F458-T485 HydrophobicContact CB-CG2 3.46Å; F458-T485 VanDerWaalsContact CB-CG2 3.46Å; F458-T485 HydrophobicContact CD1-CG2 3.75Å; F458-T485 HydrophobicContact CD2-CG2 3.8Å; F458-T485 HydrophobicContact CE1-CG2 4.43Å; F458-T485 HydrophobicContact CE2-CG2 4.45Å; F458-T485 HydrophobicContact CG-CG2 3.4Å; F482-T485 PolarHBondContact O-N 3.15Å; F482-T485 VanDerWaalsContact O-N 3.09Å; F482-T485 PolarHBondContact O-OG1 2.85Å; F482-T485 VanDerWaalsContact O-OG1 3.05Å; T485-G487 PolarHBondContact O-N 2.92Å; T485-G487 VanDerWaalsContact O-N 3.09Å; T485-L488 HydrophobicContact CG2-CD1 4.26Å; T485-L488 PolarHBondContact O-N 3.37Å; T485-L488 WeakPolarHBondContact OG1-CD1 3.48Å | ||
| 486 | P | 90.4 | Very high | 93.5 | Very high | 70 Ų | 70 | 32.5 Ų | 32.5 | 46% | 0.455 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -15.4 | -179.4 | 29.7 | -36.6 | 0 | 0 | 0 | 113.7 | L484 N508 A510 K511 | L484-P486 WeakPolarHBondContact O-CD 3.45Å; P486-N508 WeakPolarHBondContact CA-O 3.4Å; P486-A510 PolarHBondContact O-N 3.02Å; P486-K511 PolarHBondContact O-N 2.87Å |
| 487 | G | 92.5 | Very high | 93.5 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 23% | 0.227 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -11.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | M464 T485 E489 | M464-G487 CarbonylContact O-C 3.39Å; T485-G487 PolarHBondContact O-N 2.92Å; T485-G487 VanDerWaalsContact O-N 3.09Å; G487-E489 PolarHBondContact O-N 3.36Å |
| 488 | L | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -60.5 | 128 | -177.4 | -83.2 | 171.5 | 0 | 0 | 0 | 111.5 | M464 L467 F482 T485 I491 V509 K511 L512 | M464-L488 HydrophobicContact CB-CD2 4.35Å; M464-L488 HydrophobicContact CG-CD2 3.81Å; M464-L488 HydrophobicContact SD-CD2 3.97Å; L467-L488 HydrophobicContact CB-CD2 3.91Å; L467-L488 HydrophobicContact CD2-CD1 4.45Å; F482-L488 HydrophobicContact CD1-CD1 4.05Å; F482-L488 HydrophobicContact CE1-CD1 4.27Å; T485-L488 HydrophobicContact CG2-CD1 4.26Å; T485-L488 PolarHBondContact O-N 3.37Å; T485-L488 WeakPolarHBondContact OG1-CD1 3.48Å; L488-I491 HydrophobicContact CD1-CD1 4Å; L488-I491 HydrophobicContact CD1-CG1 4.2Å; L488-V509 HydrophobicContact CB-CB 4.32Å; L488-V509 HydrophobicContact CB-CG1 4.05Å; L488-V509 HydrophobicContact CD1-CG1 3.98Å; L488-K511 CarbonylContact O-C 3.48Å; L488-L512 VanDerWaalsContact O-CA 3.31Å; L488-L512 WeakPolarHBondContact O-CA 3.25Å; L488-L512 PolarHBondContact O-N 3.18Å | ||
| 489 | E | 96.3 | Very high | 93.5 | Very high | 50 Ų | 50 | 37 Ų | 37 | 23% | 0.234 | 20% | 0.202 | C | C | . | . | trans | -106.2 | -26.4 | 178.8 | -59.2 | -169.4 | 173.3 | 0 | 0 | 112.2 | A465 G487 K511 R513 Y514 | A465-E489 HydrophobicContact CB-CG 4.28Å; A465-E489 WeakPolarHBondContact O-CA 3.48Å; A465-E489 PolarHBondContact O-N 3.35Å; G487-E489 PolarHBondContact O-N 3.36Å; E489-K511 HydrophobicContact CG-CB 4.4Å; E489-R513 WeakPolarHBondContact O-CA 3.14Å; E489-R513 PolarHBondContact O-N 2.91Å; E489-Y514 PolarHBondContact O-N 3.04Å | ||
| 490 | S | 96.3 | Very high | 93.5 | Very high | 20 Ų | 20 | 36.1 Ų | 36.1 | 14% | 0.14 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 131 | -179.4 | -172.5 | 0 | 0 | 0 | 0 | 111.5 | A465 L467 Y514 | A465-S490 PolarHBondContact O-N 2.89Å; L467-S490 PolarHBondContact N-O 3.45Å; S490-Y514 WeakPolarHBondContact CA-O 3.4Å |
| 491 | I | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 124.5 | 172.4 | -55.4 | 169.2 | 0 | 0 | 0 | 109.7 | L467 F482 L488 M493 L506 V509 L512 Y514 L515 K516 | L467-I491 WeakPolarHBondContact O-CA 3.23Å; F482-I491 HydrophobicContact CE1-CD1 4.31Å; F482-I491 HydrophobicContact CZ-CD1 4.22Å; L488-I491 HydrophobicContact CD1-CD1 4Å; L488-I491 HydrophobicContact CD1-CG1 4.2Å; I491-M493 HydrophobicContact CB-CE 4.42Å; I491-M493 HydrophobicContact CG2-CE 3.48Å; I491-M493 VanDerWaalsContact CG2-CE 3.48Å; I491-M493 HydrophobicContact CG2-CG 3.92Å; I491-M493 HydrophobicContact CG2-SD 4.16Å; I491-L506 HydrophobicContact CD1-CD2 4.07Å; I491-V509 HydrophobicContact CD1-CG1 4.16Å; I491-V509 HydrophobicContact CD1-CG2 4.25Å; I491-L512 HydrophobicContact CB-CD1 4.21Å; I491-L512 HydrophobicContact CD1-CD1 3.77Å; I491-L512 HydrophobicContact CG1-CD1 3.69Å; I491-Y514 PolarHBondContact N-O 2.99Å; I491-L515 HydrophobicContact CB-CD1 4.25Å; I491-L515 WeakPolarHBondContact O-CA 3.31Å; I491-K516 PolarHBondContact O-N 3.3Å |
| 492 | S | 93.9 | Very high | 93 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126.8 | 171.1 | -58.2 | 0 | 0 | 0 | 0 | 109.6 | L467 D468 L469 S470 | L467-S492 PolarHBondContact O-N 2.82Å; D468-S492 WeakPolarHBondContact OD1-CB 3.23Å; L469-S492 PolarHBondContact N-O 2.86Å; S470-S492 VanDerWaalsContact OG-CB 3.32Å; S470-S492 WeakPolarHBondContact OG-CB 3.27Å |
| 493 | M | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -138.3 | 34.3 | 179.4 | -73.4 | -179.7 | -80.9 | 0 | 0 | 109.6 | L469 I477 I491 N496 L498 L506 L515 K516 L517 N520 | L469-M493 HydrophobicContact CB-CG 4.05Å; L469-M493 HydrophobicContact CD1-CG 4.23Å; I477-M493 HydrophobicContact CD1-SD 3.55Å; I477-M493 VanDerWaalsContact CD1-SD 3.55Å; I491-M493 HydrophobicContact CB-CE 4.42Å; I491-M493 HydrophobicContact CG2-CE 3.48Å; I491-M493 VanDerWaalsContact CG2-CE 3.48Å; I491-M493 HydrophobicContact CG2-CG 3.92Å; I491-M493 HydrophobicContact CG2-SD 4.16Å; M493-N496 PolarHBondContact O-ND2 3.2Å; M493-L498 HydrophobicContact SD-CD1 4.37Å; M493-L506 HydrophobicContact CE-CD2 4.48Å; M493-L515 HydrophobicContact CE-CD1 3.88Å; M493-K516 PolarHBondContact N-O 3.32Å; M493-L517 HydrophobicContact CB-CD2 3.75Å; M493-L517 HydrophobicContact CE-CD2 3.94Å; M493-L517 HydrophobicContact SD-CD2 4.39Å; M493-N520 PolarHBondContact O-ND2 2.93Å | ||
| 494 | E | 87.4 | Confident | 92.4 | Very high | 40 Ų | 40 | 36 Ų | 36 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | trans | -64.7 | 153.7 | 177.5 | -56.9 | 177.6 | -124.8 | 0 | 0 | 110 | S470 H471 N496 K516 D518 | S470-E494 CarbonylContact C-O 3.52Å; S470-E494 WeakPolarHBondContact CA-O 3.31Å; S470-E494 WeakPolarHBondContact CB-O 3.29Å; S470-E494 PolarHBondContact OG-N 3.11Å; H471-E494 PolarHBondContact N-O 3.26Å; E494-N496 PolarHBondContact O-N 3.33Å; E494-N496 PolarHBondContact O-ND2 3.04Å; E494-K516 HydrophobicContact CG-CB 3.75Å; E494-K516 HydrophobicContact CG-CD 4.38Å; E494-K516 WeakPolarHBondContact OE1-CD 3.46Å; E494-K516 IonicContact OE1-NZ 3.27Å; E494-K516 PolarHBondContact OE1-NZ 2.86Å; E494-K516 VanDerWaalsContact OE1-NZ 3.12Å; E494-D518 CarbonylContact C-O 3.07Å; E494-D518 VanDerWaalsContact CA-O 3.25Å; E494-D518 WeakPolarHBondContact CA-O 3.38Å; E494-D518 HydrophobicContact CB-CB 4.49Å; E494-D518 HydrophobicContact CG-CB 4.11Å | ||
| 495 | D | 90.3 | Very high | 92.3 | Very high | 28 Ų | 28 | 33.1 Ų | 33.1 | 15% | 0.15 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 51.4 | 60.9 | 176.2 | -73.3 | -56.4 | 0 | 0 | 0 | 113.3 | H471 N472 D518 R519 S1176 | H471-D495 VanDerWaalsContact CA-O 3.26Å; H471-D495 WeakPolarHBondContact CA-O 3.24Å; H471-D495 IonicContact CE1-OD2 3.49Å; H471-D495 PolarHBondContact CE1-OD2 3.41Å; H471-D495 PolarHBondContact N-O 3.33Å; H471-D495 VanDerWaalsContact ND1-CB 3.34Å; H471-D495 WeakPolarHBondContact ND1-CB 3.45Å; H471-D495 IonicContact ND1-OD2 2.86Å; H471-D495 PolarHBondContact ND1-OD2 2.96Å; N472-D495 PolarHBondContact N-O 3.09Å; D495-D518 PolarHBondContact N-O 3.06Å; D495-R519 WeakPolarHBondContact CA-O 3.5Å; D495-R519 WeakPolarHBondContact OD1-CB 3.31Å; D495-R519 WeakPolarHBondContact OD1-CD 3.31Å; D495-S1176 WeakPolarHBondContact OD1-CB 3.31Å |
| 496 | N | 93.2 | Very high | 92.3 | Very high | 11 Ų | 11 | 32.9 Ų | 32.9 | 6% | 0.059 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -129.5 | -166.9 | 174.9 | -86.9 | -78.6 | 0 | 0 | 0 | 109.5 | L469 N472 I474 M493 E494 R519 N520 | L469-N496 PolarHBondContact O-ND2 2.95Å; N472-N496 WeakPolarHBondContact CA-OD1 3.46Å; N472-N496 VanDerWaalsContact CB-OD1 3.25Å; N472-N496 WeakPolarHBondContact CB-OD1 3.45Å; N472-N496 PolarHBondContact O-OD1 3.48Å; I474-N496 HydrophobicContact CB-CB 4.35Å; I474-N496 WeakPolarHBondContact CB-OD1 3.14Å; I474-N496 WeakPolarHBondContact CG1-OD1 3.46Å; I474-N496 PolarHBondContact N-OD1 3.27Å; M493-N496 PolarHBondContact O-ND2 3.2Å; E494-N496 PolarHBondContact O-N 3.33Å; E494-N496 PolarHBondContact O-ND2 3.04Å; N496-R519 PolarHBondContact N-O 3.22Å; N496-N520 WeakPolarHBondContact CA-OD1 3.35Å; N496-N520 WeakPolarHBondContact CB-OD1 3.37Å; N496-N520 PolarHBondContact O-OD1 3.11Å |
| 497 | R | 96 | Very high | 92 | Very high | 135 Ų | 135 | 32.8 Ų | 32.8 | 51% | 0.509 | 17% | 0.167 | S | C | . | . | trans | -119.3 | 26.2 | -175.8 | -62.5 | -172.2 | -177.4 | 154.9 | 11.4 | 112.9 | E473 I474 F475 S499 N520 | E473-R497 IonicContact OE2-CZ 3.66Å; E473-R497 IonicContact OE2-NH1 2.77Å; E473-R497 PolarHBondContact OE2-NH1 2.92Å; E473-R497 IonicContact OE2-NH2 3.28Å; E473-R497 PolarHBondContact OE2-NH2 3.2Å; I474-R497 CarbonylContact O-C 3.07Å; I474-R497 VanDerWaalsContact O-C 3.28Å; I474-R497 WeakPolarHBondContact O-CA 3.46Å; I474-R497 PolarHBondContact O-N 3.26Å; F475-R497 HydrophobicContact CB-CB 3.9Å; R497-S499 PolarHBondContact O-N 3.04Å; R497-N520 PolarHBondContact N-OD1 3.01Å | ||
| 498 | L | 96.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | trans | -66.8 | 126.6 | 179.5 | -63.3 | 172.2 | 0 | 0 | 0 | 110.3 | I474 I477 M493 L517 N520 S521 I522 | I474-L498 HydrophobicContact CG2-CD2 4.14Å; I474-L498 PolarHBondContact O-N 2.96Å; I477-L498 HydrophobicContact CD1-CD1 4.4Å; I477-L498 HydrophobicContact CD1-CD2 4.19Å; I477-L498 HydrophobicContact CG1-CD2 4.12Å; M493-L498 HydrophobicContact SD-CD1 4.37Å; L498-L517 HydrophobicContact CD1-CD2 3.73Å; L498-N520 HydrophobicContact CB-CB 4.22Å; L498-N520 VanDerWaalsContact CB-OD1 3.29Å; L498-N520 WeakPolarHBondContact CB-OD1 3.42Å; L498-N520 WeakPolarHBondContact CG-OD1 3.32Å; L498-N520 PolarHBondContact N-OD1 3.28Å; L498-S521 CarbonylContact O-C 3.52Å; L498-S521 VanDerWaalsContact O-CA 3.27Å; L498-S521 WeakPolarHBondContact O-CA 3.48Å; L498-S521 PolarHBondContact O-N 3.33Å; L498-I522 HydrophobicContact CB-CG1 4.42Å; L498-I522 PolarHBondContact O-N 2.92Å | ||
| 499 | S | 93.5 | Very high | 91.6 | Very high | 70 Ų | 70 | 34.2 Ų | 34.2 | 49% | 0.49 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -91.7 | -12.6 | 177.9 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | R497 S521 I522 R523 | R497-S499 PolarHBondContact O-N 3.04Å; S499-S521 WeakPolarHBondContact CA-O 3.41Å; S499-I522 WeakPolarHBondContact O-CA 3.21Å; S499-R523 PolarHBondContact O-N 3.42Å |
| 500 | S | 91.6 | Very high | 91.1 | Very high | 63 Ų | 63 | 33.7 Ų | 33.7 | 44% | 0.441 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -148.6 | 157.3 | 179 | 62.6 | 0 | 0 | 0 | 0 | 111 | P502 | S500-P502 WeakPolarHBondContact O-CD 3.29Š|
| 501 | L | 90.2 | Very high | 90.9 | Very high | 15 Ų | 15 | 38.3 Ų | 38.3 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | trans | -69.9 | 119.8 | 173.2 | -176.2 | 69.4 | 0 | 0 | 0 | 109.2 | V503 L506 L515 L517 L525 P526 L541 | L501-V503 HydrophobicContact CB-CG2 4.19Å; L501-V503 HydrophobicContact CD2-CG2 3.53Å; L501-V503 HydrophobicContact CG-CG2 3.64Å; L501-V503 PolarHBondContact O-N 2.98Å; L501-L506 HydrophobicContact CD1-CD1 4.33Å; L501-L515 HydrophobicContact CD1-CD2 4.49Å; L501-L517 HydrophobicContact CD1-CD1 3.17Å; L501-L525 HydrophobicContact CD2-CD2 4.28Å; L501-P526 HydrophobicContact CD2-CG 4.46Å; L501-L541 HydrophobicContact CD1-CD2 4.45Å | ||
| 502 | P | 89.4 | Confident | 90.7 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 10% | 0.104 | 19% | 0.192 | C | C | . | . | trans | -77.8 | 62.6 | -173.5 | 32.6 | -37 | 0 | 0 | 0 | 112.1 | I477 S500 R504 A505 L506 | I477-P502 HydrophobicContact CB-CB 4.28Å; I477-P502 HydrophobicContact CD1-CG 4.24Å; S500-P502 WeakPolarHBondContact O-CD 3.29Å; P502-R504 PolarHBondContact O-N 3.13Å; P502-A505 HydrophobicContact CB-CB 4.35Å; P502-A505 WeakPolarHBondContact O-CB 3.38Å; P502-A505 PolarHBondContact O-N 3.43Å; P502-L506 HydrophobicContact CG-CD1 4.24Å; P502-L506 HydrophobicContact CG-CG 4.43Å; P502-L506 WeakPolarHBondContact O-CG 3.2Å; P502-L506 PolarHBondContact O-N 3.41Å | ||
| 503 | V | 83.9 | Confident | 90.8 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | -168.1 | 156.6 | 0 | 0 | 0 | 0 | 113.9 | L501 A505 L506 R507 P526 M530 | L501-V503 HydrophobicContact CB-CG2 4.19Å; L501-V503 HydrophobicContact CD2-CG2 3.53Å; L501-V503 HydrophobicContact CG-CG2 3.64Å; L501-V503 PolarHBondContact O-N 2.98Å; V503-A505 VanDerWaalsContact C-N 3.33Å; V503-A505 PolarHBondContact O-N 3.2Å; V503-L506 PolarHBondContact O-N 3.25Å; V503-R507 WeakPolarHBondContact O-CG 3.38Å; V503-R507 PolarHBondContact O-N 3.41Å; V503-P526 HydrophobicContact CB-CG 3.97Å; V503-P526 HydrophobicContact CG1-CG 4.41Å; V503-P526 HydrophobicContact CG2-CG 3.25Å; V503-M530 HydrophobicContact CB-CE 3.89Å; V503-M530 HydrophobicContact CB-SD 4.23Å; V503-M530 HydrophobicContact CG1-CE 3.54Å; V503-M530 HydrophobicContact CG1-CG 3.58Å; V503-M530 HydrophobicContact CG1-SD 3.58Å; V503-M530 VanDerWaalsContact CG1-SD 3.58Å; V503-M530 HydrophobicContact CG2-CE 3.31Å; V503-M530 HydrophobicContact CG2-SD 3.65Å |
| 504 | R | 87.2 | Confident | 90.8 | Very high | 123 Ų | 123 | 46 Ų | 46 | 46% | 0.464 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.9 | -38.4 | -179.5 | -68.2 | 179.6 | -176.3 | 173.5 | 4.2 | 111.6 | D479 P502 R507 E528 | D479-R504 HydrophobicContact CB-CB 3.87Å; D479-R504 VanDerWaalsContact OD1-CB 3.31Å; D479-R504 WeakPolarHBondContact OD1-CB 3.44Å; D479-R504 WeakPolarHBondContact OD2-CD 3.37Å; D479-R504 IonicContact OD2-NH1 3.69Å; P502-R504 PolarHBondContact O-N 3.13Å; R504-R507 PolarHBondContact O-N 3.45Å; R504-E528 IonicContact CZ-OE1 3.72Å; R504-E528 IonicContact NE-OE1 3.97Å; R504-E528 IonicContact NE-OE2 3.26Å; R504-E528 IonicContact NH2-OE1 2.94Å; R504-E528 PolarHBondContact NH2-OE1 3.49Å |
| 505 | A | 91 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | I477 S478 D479 F482 P502 V503 R507 N508 | I477-A505 HydrophobicContact CG2-CB 3.96Å; S478-A505 VanDerWaalsContact O-CB 3.3Å; S478-A505 WeakPolarHBondContact O-CB 3.17Å; D479-A505 WeakPolarHBondContact O-CA 3.21Å; F482-A505 HydrophobicContact CD2-CB 3.98Å; P502-A505 HydrophobicContact CB-CB 4.35Å; P502-A505 WeakPolarHBondContact O-CB 3.38Å; P502-A505 PolarHBondContact O-N 3.43Å; V503-A505 VanDerWaalsContact C-N 3.33Å; V503-A505 PolarHBondContact O-N 3.2Å; A505-R507 VanDerWaalsContact C-N 3.28Å; A505-R507 PolarHBondContact O-N 3.36Å; A505-N508 PolarHBondContact O-N 2.63Å; A505-N508 PolarHBondContact O-ND2 3.34Å |
| 506 | L | 90.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.1 | -16.6 | -178.2 | -67 | 171.7 | 0 | 0 | 0 | 114.4 | F482 I491 M493 L501 P502 V503 N508 V509 L512 L515 | F482-L506 HydrophobicContact CD2-CD2 4.36Å; F482-L506 HydrophobicContact CE2-CD2 4.22Å; I491-L506 HydrophobicContact CD1-CD2 4.07Å; M493-L506 HydrophobicContact CE-CD2 4.48Å; L501-L506 HydrophobicContact CD1-CD1 4.33Å; P502-L506 HydrophobicContact CG-CD1 4.24Å; P502-L506 HydrophobicContact CG-CG 4.43Å; P502-L506 WeakPolarHBondContact O-CG 3.2Å; P502-L506 PolarHBondContact O-N 3.41Å; V503-L506 PolarHBondContact O-N 3.25Å; L506-N508 PolarHBondContact O-N 3.03Å; L506-N508 VanDerWaalsContact O-N 3.13Å; L506-V509 HydrophobicContact CB-CG2 4.31Å; L506-V509 HydrophobicContact CD2-CG2 3.96Å; L506-V509 WeakPolarHBondContact O-CG2 3.47Å; L506-V509 PolarHBondContact O-N 3.2Å; L506-L512 HydrophobicContact CD2-CD2 4.28Å; L506-L515 HydrophobicContact CD1-CD2 3.83Å |
| 507 | R | 84.8 | Confident | 91.6 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 26% | 0.26 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.6 | 173.1 | -77.7 | -179.7 | -174.5 | 166.3 | 10.7 | 113 | V503 R504 A505 E528 K529 N532 | V503-R507 WeakPolarHBondContact O-CG 3.38Å; V503-R507 PolarHBondContact O-N 3.41Å; R504-R507 PolarHBondContact O-N 3.45Å; A505-R507 VanDerWaalsContact C-N 3.28Å; A505-R507 PolarHBondContact O-N 3.36Å; R507-E528 IonicContact CZ-OE2 3.22Å; R507-E528 IonicContact NH1-OE2 3.96Å; R507-E528 VanDerWaalsContact NH2-CB 3.3Å; R507-E528 IonicContact NH2-OE2 2.93Å; R507-E528 PolarHBondContact NH2-OE2 3.49Å; R507-K529 PolarHBondContact NH2-O 3.45Å; R507-N532 WeakPolarHBondContact O-CB 3.47Å; R507-N532 PolarHBondContact O-ND2 2.86Å |
| 508 | N | 87.2 | Confident | 91.4 | Very high | 51 Ų | 51 | 41.3 Ų | 41.3 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -14.8 | -179.3 | -61.2 | -47.7 | 0 | 0 | 0 | 113.7 | D479 F482 P486 A505 L506 A510 | D479-N508 PolarHBondContact O-ND2 3.09Å; F482-N508 HydrophobicContact CB-CB 4.36Å; F482-N508 VanDerWaalsContact O-CB 3.27Å; F482-N508 WeakPolarHBondContact O-CB 3.27Å; P486-N508 WeakPolarHBondContact CA-O 3.4Å; A505-N508 PolarHBondContact O-N 2.63Å; A505-N508 PolarHBondContact O-ND2 3.34Å; L506-N508 PolarHBondContact O-N 3.03Å; L506-N508 VanDerWaalsContact O-N 3.13Å; N508-A510 PolarHBondContact O-N 3.1Å |
| 509 | V | 90.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -93.5 | 71.1 | -179.6 | -65.1 | 0 | 0 | 0 | 0 | 111.7 | F482 L488 I491 L506 K511 L512 | F482-V509 HydrophobicContact CB-CG1 3.71Å; F482-V509 HydrophobicContact CD1-CG1 4.35Å; F482-V509 HydrophobicContact CG-CG1 4.02Å; L488-V509 HydrophobicContact CB-CB 4.32Å; L488-V509 HydrophobicContact CB-CG1 4.05Å; L488-V509 HydrophobicContact CD1-CG1 3.98Å; I491-V509 HydrophobicContact CD1-CG1 4.16Å; I491-V509 HydrophobicContact CD1-CG2 4.25Å; L506-V509 HydrophobicContact CB-CG2 4.31Å; L506-V509 HydrophobicContact CD2-CG2 3.96Å; L506-V509 WeakPolarHBondContact O-CG2 3.47Å; L506-V509 PolarHBondContact O-N 3.2Å; V509-K511 PolarHBondContact O-N 3.18Å; V509-L512 HydrophobicContact CB-CB 4.3Å; V509-L512 HydrophobicContact CG2-CB 3.89Å; V509-L512 HydrophobicContact CG2-CD1 4.45Å; V509-L512 HydrophobicContact CG2-CD2 3.84Å; V509-L512 HydrophobicContact CG2-CG 4.29Å; V509-L512 WeakPolarHBondContact O-CB 3.28Å; V509-L512 PolarHBondContact O-N 2.95Å; V509-L512 VanDerWaalsContact O-N 3.13Å | ||
| 510 | A | 85.6 | Confident | 91.3 | Very high | 39 Ų | 39 | 40.5 Ų | 40.5 | 32% | 0.322 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -13.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | P486 N508 Y535 | P486-A510 PolarHBondContact O-N 3.02Å; N508-A510 PolarHBondContact O-N 3.1Å; A510-Y535 WeakPolarHBondContact O-CD2 3.46Å; A510-Y535 WeakPolarHBondContact O-CE2 3.23Å |
| 511 | K | 92.2 | Very high | 91.5 | Very high | 117 Ų | 117 | 39.6 Ų | 39.6 | 51% | 0.509 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 8.2 | 178 | -66.7 | -170 | -175.9 | 176.4 | 0 | 114.4 | P486 L488 E489 V509 R513 | P486-K511 PolarHBondContact O-N 2.87Å; L488-K511 CarbonylContact O-C 3.48Å; E489-K511 HydrophobicContact CG-CB 4.4Å; V509-K511 PolarHBondContact O-N 3.18Å; K511-R513 PolarHBondContact O-N 2.84Å |
| 512 | L | 93.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | trans | -60 | 124.7 | -173.3 | -169.8 | 70.1 | 0 | 0 | 0 | 111.6 | L488 I491 L506 V509 L515 L533 Y535 L536 | L488-L512 VanDerWaalsContact O-CA 3.31Å; L488-L512 WeakPolarHBondContact O-CA 3.25Å; L488-L512 PolarHBondContact O-N 3.18Å; I491-L512 HydrophobicContact CB-CD1 4.21Å; I491-L512 HydrophobicContact CD1-CD1 3.77Å; I491-L512 HydrophobicContact CG1-CD1 3.69Å; L506-L512 HydrophobicContact CD2-CD2 4.28Å; V509-L512 HydrophobicContact CB-CB 4.3Å; V509-L512 HydrophobicContact CG2-CB 3.89Å; V509-L512 HydrophobicContact CG2-CD1 4.45Å; V509-L512 HydrophobicContact CG2-CD2 3.84Å; V509-L512 HydrophobicContact CG2-CG 4.29Å; V509-L512 WeakPolarHBondContact O-CB 3.28Å; V509-L512 PolarHBondContact O-N 2.95Å; V509-L512 VanDerWaalsContact O-N 3.13Å; L512-L515 HydrophobicContact CD2-CB 4.15Å; L512-L515 HydrophobicContact CD2-CD1 4.4Å; L512-L515 HydrophobicContact CD2-CD2 4.32Å; L512-L533 HydrophobicContact CB-CD2 4.49Å; L512-L533 HydrophobicContact CD2-CD2 4.14Å; L512-Y535 CarbonylContact O-C 3.17Å; L512-L536 HydrophobicContact CD2-CD1 3.98Å; L512-L536 HydrophobicContact CG-CD1 3.93Å; L512-L536 VanDerWaalsContact O-CA 3.23Å; L512-L536 WeakPolarHBondContact O-CA 3.3Å; L512-L536 PolarHBondContact O-N 3.11Å; L512-L536 VanDerWaalsContact O-N 3.1Å | ||
| 513 | R | 95.3 | Very high | 91.9 | Very high | 98 Ų | 98 | 45.2 Ų | 45.2 | 37% | 0.37 | 20% | 0.199 | S | C | . | . | trans | -111.8 | -37.1 | 177.7 | -63.5 | -173.7 | -178.8 | -169.8 | 3.6 | 112.7 | E489 K511 E537 R538 | E489-R513 WeakPolarHBondContact O-CA 3.14Å; E489-R513 PolarHBondContact O-N 2.91Å; K511-R513 PolarHBondContact O-N 2.84Å; R513-E537 HydrophobicContact CB-CG 4.25Å; R513-E537 HydrophobicContact CG-CG 4.46Å; R513-E537 IonicContact NH1-OE1 3.86Å; R513-E537 WeakPolarHBondContact O-CA 3.09Å; R513-E537 PolarHBondContact O-N 3.26Å; R513-R538 PolarHBondContact O-N 3.33Å | ||
| 514 | Y | 96.7 | Very high | 91.9 | Very high | 77 Ų | 77 | 49 Ų | 49 | 30% | 0.302 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 123.1 | -176.4 | -52.7 | -64.4 | 0 | 0 | 0 | 110.4 | E489 S490 I491 E537 R538 | E489-Y514 PolarHBondContact O-N 3.04Å; S490-Y514 WeakPolarHBondContact CA-O 3.4Å; I491-Y514 PolarHBondContact N-O 2.99Å; Y514-E537 HydrophobicContact CE1-CB 4.2Å; Y514-E537 PolarHBondContact OH-OE2 2.73Å; Y514-R538 HydrophobicContact CD1-CB 3.95Å; Y514-R538 HydrophobicContact CD1-CG 3.9Å; Y514-R538 HydrophobicContact CE1-CB 4.45Å; Y514-R538 HydrophobicContact CE1-CG 3.89Å |
| 515 | L | 95.9 | Very high | 92 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 121 | 176.9 | -179.2 | 60 | 0 | 0 | 0 | 109.9 | I491 M493 L501 L506 L512 L517 L536 R538 I539 S540 | I491-L515 HydrophobicContact CB-CD1 4.25Å; I491-L515 WeakPolarHBondContact O-CA 3.31Å; M493-L515 HydrophobicContact CE-CD1 3.88Å; L501-L515 HydrophobicContact CD1-CD2 4.49Å; L506-L515 HydrophobicContact CD1-CD2 3.83Å; L512-L515 HydrophobicContact CD2-CB 4.15Å; L512-L515 HydrophobicContact CD2-CD1 4.4Å; L512-L515 HydrophobicContact CD2-CD2 4.32Å; L515-L517 HydrophobicContact CD1-CD1 4.08Å; L515-L517 HydrophobicContact CD1-CG 4.15Å; L515-L517 HydrophobicContact CD2-CD1 3.82Å; L515-L517 HydrophobicContact CG-CD1 3.85Å; L515-L517 HydrophobicContact CG-CG 4.21Å; L515-L536 HydrophobicContact CB-CD1 3.88Å; L515-R538 PolarHBondContact N-O 2.84Å; L515-I539 HydrophobicContact CB-CG1 4.43Å; L515-I539 HydrophobicContact CD2-CD1 4.13Å; L515-I539 HydrophobicContact CD2-CG1 4.39Å; L515-I539 WeakPolarHBondContact O-CA 3.41Å; L515-S540 PolarHBondContact O-N 3.29Å |
| 516 | K | 93.8 | Very high | 91.3 | Very high | 93 Ų | 93 | 46.2 Ų | 46.2 | 40% | 0.404 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.3 | 175.7 | -60.2 | -169.1 | -177.4 | -178.1 | 0 | 111.1 | I491 M493 E494 | I491-K516 PolarHBondContact O-N 3.3Å; M493-K516 PolarHBondContact N-O 3.32Å; E494-K516 HydrophobicContact CG-CB 3.75Å; E494-K516 HydrophobicContact CG-CD 4.38Å; E494-K516 WeakPolarHBondContact OE1-CD 3.46Å; E494-K516 IonicContact OE1-NZ 3.27Å; E494-K516 PolarHBondContact OE1-NZ 2.86Å; E494-K516 VanDerWaalsContact OE1-NZ 3.12Å |
| 517 | L | 96.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -136.9 | 24.3 | -174.2 | -75.6 | 163.2 | 0 | 0 | 0 | 111 | M493 L498 L501 L515 N520 I522 S540 L541 N544 | M493-L517 HydrophobicContact CB-CD2 3.75Å; M493-L517 HydrophobicContact CE-CD2 3.94Å; M493-L517 HydrophobicContact SD-CD2 4.39Å; L498-L517 HydrophobicContact CD1-CD2 3.73Å; L501-L517 HydrophobicContact CD1-CD1 3.17Å; L515-L517 HydrophobicContact CD1-CD1 4.08Å; L515-L517 HydrophobicContact CD1-CG 4.15Å; L515-L517 HydrophobicContact CD2-CD1 3.82Å; L515-L517 HydrophobicContact CG-CD1 3.85Å; L515-L517 HydrophobicContact CG-CG 4.21Å; L517-N520 PolarHBondContact O-ND2 3.1Å; L517-N520 VanDerWaalsContact O-ND2 3.12Å; L517-I522 HydrophobicContact CB-CD1 4.18Å; L517-I522 HydrophobicContact CD1-CD1 4.34Å; L517-S540 PolarHBondContact N-O 3.22Å; L517-L541 HydrophobicContact CB-CD2 3.87Å; L517-L541 HydrophobicContact CD1-CD2 3.96Å; L517-N544 PolarHBondContact O-ND2 2.94Å | ||
| 518 | D | 91.5 | Very high | 89.5 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 149.8 | -177 | -62.9 | -8.9 | 0 | 0 | 0 | 110.1 | E494 D495 N520 S540 L541 A542 | E494-D518 CarbonylContact C-O 3.07Å; E494-D518 VanDerWaalsContact CA-O 3.25Å; E494-D518 WeakPolarHBondContact CA-O 3.38Å; E494-D518 HydrophobicContact CB-CB 4.49Å; E494-D518 HydrophobicContact CG-CB 4.11Å; D495-D518 PolarHBondContact N-O 3.06Å; D518-N520 VanDerWaalsContact C-N 3.33Å; D518-N520 PolarHBondContact O-N 2.85Å; D518-N520 PolarHBondContact O-ND2 2.78Å; D518-S540 WeakPolarHBondContact OD1-CB 3.48Å; D518-S540 PolarHBondContact OD1-OG 2.94Å; D518-S540 PolarHBondContact OD2-OG 3.04Å; D518-L541 PolarHBondContact OD1-N 3.4Å; D518-L541 VanDerWaalsContact OD1-N 3.11Å; D518-A542 CarbonylContact C-O 3.55Å; D518-A542 WeakPolarHBondContact CA-O 3.24Å; D518-A542 HydrophobicContact CB-CB 4.43Å; D518-A542 PolarHBondContact OD1-N 2.79Å |
| 519 | R | 93.8 | Very high | 88.4 | Confident | 50 Ų | 50 | 54.7 Ų | 54.7 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 45.9 | 173.9 | -57.3 | 178 | -177.2 | -85.9 | 18.6 | 113.6 | D495 N496 A542 H543 E1175 S1176 T1177 | D495-R519 WeakPolarHBondContact CA-O 3.5Å; D495-R519 WeakPolarHBondContact OD1-CB 3.31Å; D495-R519 WeakPolarHBondContact OD1-CD 3.31Å; N496-R519 PolarHBondContact N-O 3.22Å; R519-A542 PolarHBondContact N-O 2.67Å; R519-H543 WeakPolarHBondContact CA-O 3.48Å; R519-H543 HydrophobicContact CB-CB 4.46Å; R519-H543 HydrophobicContact CG-CB 3.59Å; R519-E1175 PolarHBondContact NH1-O 2.99Å; R519-E1175 PolarHBondContact NH2-O 3.08Å; R519-S1176 VanDerWaalsContact CD-O 3.26Å; R519-S1176 WeakPolarHBondContact CD-O 3.01Å; R519-S1176 VanDerWaalsContact CZ-CA 3.43Å; R519-S1176 PolarHBondContact NE-O 3.13Å; R519-S1176 VanDerWaalsContact NH2-C 3.33Å; R519-S1176 PolarHBondContact NH2-O 2.66Å; R519-T1177 PolarHBondContact NH2-O 3.46Å |
| 520 | N | 94.6 | Very high | 87 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.043 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -106.3 | -166.6 | 165 | -82.8 | -91.2 | 0 | 0 | 0 | 109.2 | M493 N496 R497 L498 L517 D518 I522 N544 | M493-N520 PolarHBondContact O-ND2 2.93Å; N496-N520 WeakPolarHBondContact CA-OD1 3.35Å; N496-N520 WeakPolarHBondContact CB-OD1 3.37Å; N496-N520 PolarHBondContact O-OD1 3.11Å; R497-N520 PolarHBondContact N-OD1 3.01Å; L498-N520 HydrophobicContact CB-CB 4.22Å; L498-N520 VanDerWaalsContact CB-OD1 3.29Å; L498-N520 WeakPolarHBondContact CB-OD1 3.42Å; L498-N520 WeakPolarHBondContact CG-OD1 3.32Å; L498-N520 PolarHBondContact N-OD1 3.28Å; L517-N520 PolarHBondContact O-ND2 3.1Å; L517-N520 VanDerWaalsContact O-ND2 3.12Å; D518-N520 VanDerWaalsContact C-N 3.33Å; D518-N520 PolarHBondContact O-N 2.85Å; D518-N520 PolarHBondContact O-ND2 2.78Å; N520-I522 HydrophobicContact CB-CD1 4.29Å; N520-I522 HydrophobicContact CB-CG1 4.07Å; N520-N544 WeakPolarHBondContact CA-OD1 3.19Å; N520-N544 WeakPolarHBondContact CB-OD1 3.28Å; N520-N544 PolarHBondContact N-OD1 2.97Å; N520-N544 PolarHBondContact O-OD1 3.06Å |
| 521 | S | 95.6 | Very high | 85.9 | Confident | 43 Ų | 43 | 60.1 Ų | 60.1 | 30% | 0.301 | 28% | 0.278 | S | S | . | . | trans | -113 | 31.2 | 175.7 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | L498 S499 R523 | L498-S521 CarbonylContact O-C 3.52Å; L498-S521 VanDerWaalsContact O-CA 3.27Å; L498-S521 WeakPolarHBondContact O-CA 3.48Å; L498-S521 PolarHBondContact O-N 3.33Å; S499-S521 WeakPolarHBondContact CA-O 3.41Å; S521-R523 PolarHBondContact O-N 2.7Å | ||
| 522 | I | 95.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -67.4 | 120.3 | -175.3 | -60.7 | 171.9 | 0 | 0 | 0 | 109.6 | L498 S499 L517 N520 L541 N544 Q545 I546 | L498-I522 HydrophobicContact CB-CG1 4.42Å; L498-I522 PolarHBondContact O-N 2.92Å; S499-I522 WeakPolarHBondContact O-CA 3.21Å; L517-I522 HydrophobicContact CB-CD1 4.18Å; L517-I522 HydrophobicContact CD1-CD1 4.34Å; N520-I522 HydrophobicContact CB-CD1 4.29Å; N520-I522 HydrophobicContact CB-CG1 4.07Å; I522-L541 HydrophobicContact CD1-CD2 3.89Å; I522-N544 HydrophobicContact CB-CB 4.21Å; I522-N544 VanDerWaalsContact CB-OD1 3.26Å; I522-N544 WeakPolarHBondContact CB-OD1 3.3Å; I522-N544 WeakPolarHBondContact CG1-OD1 3.19Å; I522-N544 PolarHBondContact N-OD1 3.23Å; I522-Q545 CarbonylContact O-C 3.58Å; I522-Q545 VanDerWaalsContact O-CA 3.29Å; I522-Q545 WeakPolarHBondContact O-CA 3.24Å; I522-Q545 PolarHBondContact O-N 3.03Å; I522-I546 HydrophobicContact CG2-CD1 4.49Å; I522-I546 HydrophobicContact CG2-CG1 4.18Å; I522-I546 WeakPolarHBondContact O-CG1 3.14Å; I522-I546 PolarHBondContact O-N 3.09Å | ||
| 523 | R | 92.4 | Very high | 83.8 | Confident | 149 Ų | 149 | 58.3 Ų | 58.3 | 56% | 0.562 | 27% | 0.274 | S | S | * | . | trans | -97.5 | -31.5 | -176.3 | -64.2 | -176.7 | 179 | 177.8 | 1.7 | 114.7 | S499 S521 Q545 I546 H547 | S499-R523 PolarHBondContact O-N 3.42Å; S521-R523 PolarHBondContact O-N 2.7Å; R523-Q545 WeakPolarHBondContact CA-O 3.38Å; R523-Q545 HydrophobicContact CG-CB 3.97Å; R523-I546 WeakPolarHBondContact O-CA 3.39Å; R523-H547 PolarHBondContact O-N 2.84Å | ||
| 524 | T | 85.3 | Confident | 83.3 | Confident | 89 Ų | 89 | 56.6 Ų | 56.6 | 55% | 0.546 | 27% | 0.271 | S | S | . | . | trans | -140.1 | 147.3 | -175.8 | 58.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 525 | L | 87.7 | Confident | 83 | Confident | 23 Ų | 23 | 59 Ų | 59 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | trans | -94.5 | 133.6 | 167.6 | -61.1 | 179.7 | 0 | 0 | 0 | 108.6 | L501 L541 I546 L549 F554 | L501-L525 HydrophobicContact CD2-CD2 4.28Å; L525-L541 HydrophobicContact CD2-CD1 3.89Å; L525-I546 HydrophobicContact CD2-CD1 3.97Å; L525-I546 HydrophobicContact CG-CD1 4.24Å; L525-I546 HydrophobicContact CG-CG2 4.26Å; L525-L549 HydrophobicContact CD1-CD2 3.5Å; L525-L549 VanDerWaalsContact CD1-CD2 3.5Å; L525-F554 HydrophobicContact CD1-CE2 4.01Å; L525-F554 HydrophobicContact CD1-CZ 3.98Å | ||
| 526 | P | 78 | Confident | 82.9 | Confident | 40 Ų | 40 | 58.8 Ų | 58.8 | 26% | 0.26 | 28% | 0.28 | S | S | . | . | trans | -74.8 | 150.7 | -176.4 | 28.5 | -32.2 | 0 | 0 | 0 | 112.3 | L501 V503 | L501-P526 HydrophobicContact CD2-CG 4.46Å; V503-P526 HydrophobicContact CB-CG 3.97Å; V503-P526 HydrophobicContact CG1-CG 4.41Å; V503-P526 HydrophobicContact CG2-CG 3.25Å | ||
| 527 | T | 68.9 | Low | 83 | Confident | 97 Ų | 97 | 56.1 Ų | 56.1 | 60% | 0.595 | 27% | 0.268 | S | S | * | . | trans | -95.9 | -1.6 | 176.6 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | D552 | T527-D552 HydrophobicContact CG2-CB 4.03Š| ||
| 528 | E | 67.8 | Low | 83 | Confident | 76 Ų | 76 | 62.6 Ų | 62.6 | 36% | 0.355 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -62.1 | 147 | -179.4 | -61.9 | -166.8 | -177.7 | 0 | 0 | 111.4 | R504 R507 M530 | R504-E528 IonicContact CZ-OE1 3.72Å; R504-E528 IonicContact NE-OE1 3.97Å; R504-E528 IonicContact NE-OE2 3.26Å; R504-E528 IonicContact NH2-OE1 2.94Å; R504-E528 PolarHBondContact NH2-OE1 3.49Å; R507-E528 IonicContact CZ-OE2 3.22Å; R507-E528 IonicContact NH1-OE2 3.96Å; R507-E528 VanDerWaalsContact NH2-CB 3.3Å; R507-E528 IonicContact NH2-OE2 2.93Å; R507-E528 PolarHBondContact NH2-OE2 3.49Å; E528-M530 WeakPolarHBondContact O-CG 3.37Å; E528-M530 PolarHBondContact O-N 2.73Å; E528-M530 VanDerWaalsContact O-N 3.08Å |
| 529 | K | 63.7 | Low | 83.2 | Confident | 126 Ų | 126 | 61.9 Ų | 61.9 | 55% | 0.548 | 29% | 0.289 | S | S | . | . | trans | -65.5 | 109.4 | 179.5 | -62.3 | -177.8 | -175.7 | 177.5 | 0 | 110.9 | R507 Y531 Y558 | R507-K529 PolarHBondContact NH2-O 3.45Å; K529-Y531 HydrophobicContact CB-CD2 4.1Å; K529-Y531 HydrophobicContact CB-CE2 3.51Å; K529-Y531 HydrophobicContact CD-CE2 4.21Å; K529-Y531 WeakPolarHBondContact CD-OH 3.46Å; K529-Y531 PolarHBondContact O-N 3.25Å; K529-Y558 HydrophobicContact CB-CE2 3.96Å; K529-Y558 WeakPolarHBondContact CB-OH 3.26Å; K529-Y558 WeakPolarHBondContact CD-OH 3.11Å; K529-Y558 HydrophobicContact CG-CE2 4.2Å; K529-Y558 WeakPolarHBondContact CG-OH 3.31Å | ||
| 530 | M | 62.2 | Low | 83.2 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.02 | 29% | 0.286 | C | S | . | . | trans | -96.7 | 70.1 | -176.5 | -70.2 | 174.5 | 75.2 | 0 | 0 | 111.3 | V503 E528 N532 L533 Y558 Y559 | V503-M530 HydrophobicContact CB-CE 3.89Å; V503-M530 HydrophobicContact CB-SD 4.23Å; V503-M530 HydrophobicContact CG1-CE 3.54Å; V503-M530 HydrophobicContact CG1-CG 3.58Å; V503-M530 HydrophobicContact CG1-SD 3.58Å; V503-M530 VanDerWaalsContact CG1-SD 3.58Å; V503-M530 HydrophobicContact CG2-CE 3.31Å; V503-M530 HydrophobicContact CG2-SD 3.65Å; E528-M530 WeakPolarHBondContact O-CG 3.37Å; E528-M530 PolarHBondContact O-N 2.73Å; E528-M530 VanDerWaalsContact O-N 3.08Å; M530-N532 PolarHBondContact O-N 3.37Å; M530-L533 HydrophobicContact CE-CD1 3.28Å; M530-L533 HydrophobicContact CE-CG 4.06Å; M530-Y558 VanDerWaalsContact O-CB 3.23Å; M530-Y558 WeakPolarHBondContact O-CB 3.34Å; M530-Y558 WeakPolarHBondContact O-CD1 3.46Å; M530-Y559 WeakPolarHBondContact CE-OH 3.09Å; M530-Y559 PolarHBondContact SD-OH 2.96Å | ||
| 531 | Y | 62.1 | Low | 83.3 | Confident | 148 Ų | 148 | 59.9 Ų | 59.9 | 58% | 0.58 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -17.7 | -174.8 | -65.5 | -81.8 | 0 | 0 | 0 | 115.9 | K529 Y558 | K529-Y531 HydrophobicContact CB-CD2 4.1Å; K529-Y531 HydrophobicContact CB-CE2 3.51Å; K529-Y531 HydrophobicContact CD-CE2 4.21Å; K529-Y531 WeakPolarHBondContact CD-OH 3.46Å; K529-Y531 PolarHBondContact O-N 3.25Å; Y531-Y558 HydrophobicContact CD1-CD1 4.41Å; Y531-Y558 AromaticContact CD1-CE1 3.61Å; Y531-Y558 HydrophobicContact CD1-CE1 3.61Å; Y531-Y558 AromaticContact CE1-CE1 3.87Å; Y531-Y558 HydrophobicContact CE1-CE1 3.87Å; Y531-Y558 HydrophobicContact CG-CE1 4.12Å |
| 532 | N | 63.8 | Low | 83.3 | Confident | 75 Ų | 75 | 58.1 Ų | 58.1 | 40% | 0.401 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -1.7 | -164.2 | -69.8 | -0.9 | 0 | 0 | 0 | 117 | R507 M530 I534 | R507-N532 WeakPolarHBondContact O-CB 3.47Å; R507-N532 PolarHBondContact O-ND2 2.86Å; M530-N532 PolarHBondContact O-N 3.37Å; N532-I534 VanDerWaalsContact C-N 3.27Å; N532-I534 PolarHBondContact O-N 3.17Å |
| 533 | L | 79.6 | Confident | 83.2 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | trans | -91.9 | 23.9 | 177.3 | -65.9 | -170.3 | 0 | 0 | 0 | 113.7 | L512 M530 Y535 L536 Y558 Y559 | L512-L533 HydrophobicContact CB-CD2 4.49Å; L512-L533 HydrophobicContact CD2-CD2 4.14Å; M530-L533 HydrophobicContact CE-CD1 3.28Å; M530-L533 HydrophobicContact CE-CG 4.06Å; L533-Y535 PolarHBondContact O-N 3.35Å; L533-Y535 VanDerWaalsContact O-N 3.09Å; L533-L536 HydrophobicContact CB-CB 4.43Å; L533-L536 HydrophobicContact CD1-CD2 4.41Å; L533-L536 VanDerWaalsContact O-CB 3.29Å; L533-L536 WeakPolarHBondContact O-CB 2.99Å; L533-L536 PolarHBondContact O-N 3.06Å; L533-Y558 CarbonylContact C-O 3.28Å; L533-Y559 HydrophobicContact CB-CD1 4.26Å; L533-Y559 HydrophobicContact CB-CE1 3.94Å; L533-Y559 HydrophobicContact CD1-CE1 3.87Å | ||
| 534 | I | 84.5 | Confident | 83.4 | Confident | 63 Ų | 63 | 54.6 Ų | 54.6 | 32% | 0.323 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24.8 | -175.5 | -165.3 | 168.8 | 0 | 0 | 0 | 113.3 | N532 Y558 R560 N561 | N532-I534 VanDerWaalsContact C-N 3.27Å; N532-I534 PolarHBondContact O-N 3.17Å; I534-Y558 VanDerWaalsContact CA-O 3.26Å; I534-Y558 WeakPolarHBondContact CA-O 3.38Å; I534-Y558 PolarHBondContact N-O 3.13Å; I534-Y558 VanDerWaalsContact N-O 3.15Å; I534-R560 HydrophobicContact CG1-CB 4.2Å; I534-N561 VanDerWaalsContact O-CB 3.27Å; I534-N561 WeakPolarHBondContact O-CB 3.28Å; I534-N561 VanDerWaalsContact O-CG 3.31Å; I534-N561 PolarHBondContact O-ND2 2.77Å |
| 535 | Y | 89.6 | Confident | 83.9 | Confident | 126 Ų | 126 | 53.4 Ų | 53.4 | 49% | 0.494 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -3.9 | 179.8 | -61.6 | -78.3 | 0 | 0 | 0 | 114.2 | A510 L512 L533 E537 | A510-Y535 WeakPolarHBondContact O-CD2 3.46Å; A510-Y535 WeakPolarHBondContact O-CE2 3.23Å; L512-Y535 CarbonylContact O-C 3.17Å; L533-Y535 PolarHBondContact O-N 3.35Å; L533-Y535 VanDerWaalsContact O-N 3.09Å; Y535-E537 PolarHBondContact O-N 3.06Å |
| 536 | L | 92.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -64.5 | 122.2 | -177.9 | -166.2 | 69.4 | 0 | 0 | 0 | 109.9 | L512 L515 L533 I539 Y559 N561 L562 | L512-L536 HydrophobicContact CD2-CD1 3.98Å; L512-L536 HydrophobicContact CG-CD1 3.93Å; L512-L536 VanDerWaalsContact O-CA 3.23Å; L512-L536 WeakPolarHBondContact O-CA 3.3Å; L512-L536 PolarHBondContact O-N 3.11Å; L512-L536 VanDerWaalsContact O-N 3.1Å; L515-L536 HydrophobicContact CB-CD1 3.88Å; L533-L536 HydrophobicContact CB-CB 4.43Å; L533-L536 HydrophobicContact CD1-CD2 4.41Å; L533-L536 VanDerWaalsContact O-CB 3.29Å; L533-L536 WeakPolarHBondContact O-CB 2.99Å; L533-L536 PolarHBondContact O-N 3.06Å; L536-I539 HydrophobicContact CD2-CB 4.12Å; L536-I539 HydrophobicContact CD2-CD1 4.31Å; L536-Y559 HydrophobicContact CD2-CD1 4.12Å; L536-Y559 HydrophobicContact CD2-CE1 4.02Å; L536-N561 CarbonylContact O-C 3.52Å; L536-L562 HydrophobicContact CB-CD2 4.29Å; L536-L562 HydrophobicContact CD2-CD2 4.03Å; L536-L562 HydrophobicContact CG-CD2 3.93Å; L536-L562 VanDerWaalsContact O-CA 3.27Å; L536-L562 WeakPolarHBondContact O-CA 3.29Å; L536-L562 PolarHBondContact O-N 3.33Å | ||
| 537 | E | 96.3 | Very high | 84.9 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 17% | 0.168 | 25% | 0.253 | C | S | . | . | trans | -101.8 | -37.6 | -179.2 | -64.5 | -177.5 | 177.5 | 0 | 0 | 111.6 | R513 Y514 Y535 R563 S564 | R513-E537 HydrophobicContact CB-CG 4.25Å; R513-E537 HydrophobicContact CG-CG 4.46Å; R513-E537 IonicContact NH1-OE1 3.86Å; R513-E537 WeakPolarHBondContact O-CA 3.09Å; R513-E537 PolarHBondContact O-N 3.26Å; Y514-E537 HydrophobicContact CE1-CB 4.2Å; Y514-E537 PolarHBondContact OH-OE2 2.73Å; Y535-E537 PolarHBondContact O-N 3.06Å; E537-R563 WeakPolarHBondContact O-CA 3.27Å; E537-R563 WeakPolarHBondContact O-CB 3.33Å; E537-R563 PolarHBondContact O-N 3.35Å; E537-S564 PolarHBondContact O-N 2.76Å; E537-S564 VanDerWaalsContact O-N 3.08Å | ||
| 538 | R | 97 | Very high | 86 | Confident | 137 Ų | 137 | 52 Ų | 52 | 52% | 0.517 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 134.7 | 179.2 | -48.6 | -176.5 | 173 | -168.1 | -5.2 | 111.1 | R513 Y514 L515 S564 | R513-R538 PolarHBondContact O-N 3.33Å; Y514-R538 HydrophobicContact CD1-CB 3.95Å; Y514-R538 HydrophobicContact CD1-CG 3.9Å; Y514-R538 HydrophobicContact CE1-CB 4.45Å; Y514-R538 HydrophobicContact CE1-CG 3.89Å; L515-R538 PolarHBondContact N-O 2.84Å; R538-S564 WeakPolarHBondContact CA-O 3.21Å |
| 539 | I | 95.1 | Very high | 87.1 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131.6 | 172.1 | -170.1 | 170.4 | 0 | 0 | 0 | 110.2 | L515 L536 L541 F554 L562 S564 I565 N566 | L515-I539 HydrophobicContact CB-CG1 4.43Å; L515-I539 HydrophobicContact CD2-CD1 4.13Å; L515-I539 HydrophobicContact CD2-CG1 4.39Å; L515-I539 WeakPolarHBondContact O-CA 3.41Å; L536-I539 HydrophobicContact CD2-CB 4.12Å; L536-I539 HydrophobicContact CD2-CD1 4.31Å; I539-L541 HydrophobicContact CD1-CD1 3.81Å; I539-L541 HydrophobicContact CD1-CG 4.21Å; I539-L541 HydrophobicContact CG1-CD1 4.14Å; I539-L541 HydrophobicContact CG1-CG 4.14Å; I539-F554 HydrophobicContact CD1-CE1 4.15Å; I539-F554 HydrophobicContact CG2-CE1 3.99Å; I539-F554 HydrophobicContact CG2-CZ 4.3Å; I539-L562 HydrophobicContact CG2-CD2 4.09Å; I539-S564 PolarHBondContact N-O 3.49Å; I539-S564 VanDerWaalsContact N-O 3.08Å; I539-I565 HydrophobicContact CG2-CB 4.42Å; I539-I565 HydrophobicContact CG2-CG1 4.06Å; I539-I565 HydrophobicContact CG2-CG2 4.34Å; I539-N566 PolarHBondContact O-N 2.6Å |
| 540 | S | 95.3 | Very high | 88.3 | Confident | 16 Ų | 16 | 44.9 Ų | 44.9 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126 | 171.9 | -154 | 0 | 0 | 0 | 0 | 109.7 | L515 L517 D518 N566 | L515-S540 PolarHBondContact O-N 3.29Å; L517-S540 PolarHBondContact N-O 3.22Å; D518-S540 WeakPolarHBondContact OD1-CB 3.48Å; D518-S540 PolarHBondContact OD1-OG 2.94Å; D518-S540 PolarHBondContact OD2-OG 3.04Å; S540-N566 PolarHBondContact OG-ND2 3.22Å |
| 541 | L | 96.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -132.3 | 25.6 | 180 | -71.7 | 160.2 | 0 | 0 | 0 | 109.7 | L501 L517 D518 I522 L525 I539 N544 I546 F554 N566 N570 | L501-L541 HydrophobicContact CD1-CD2 4.45Å; L517-L541 HydrophobicContact CB-CD2 3.87Å; L517-L541 HydrophobicContact CD1-CD2 3.96Å; D518-L541 PolarHBondContact OD1-N 3.4Å; D518-L541 VanDerWaalsContact OD1-N 3.11Å; I522-L541 HydrophobicContact CD1-CD2 3.89Å; L525-L541 HydrophobicContact CD2-CD1 3.89Å; I539-L541 HydrophobicContact CD1-CD1 3.81Å; I539-L541 HydrophobicContact CD1-CG 4.21Å; I539-L541 HydrophobicContact CG1-CD1 4.14Å; I539-L541 HydrophobicContact CG1-CG 4.14Å; L541-N544 PolarHBondContact O-ND2 3.3Å; L541-N544 VanDerWaalsContact O-ND2 3.14Å; L541-I546 HydrophobicContact CB-CD1 4.03Å; L541-I546 HydrophobicContact CD1-CD1 4.2Å; L541-I546 HydrophobicContact CD2-CD1 4.46Å; L541-I546 HydrophobicContact CG-CD1 4.48Å; L541-F554 HydrophobicContact CD1-CZ 4.19Å; L541-N566 PolarHBondContact N-O 2.87Å; L541-N570 PolarHBondContact O-ND2 3.2Å | ||
| 542 | A | 94.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 153.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D518 R519 N544 A568 | D518-A542 CarbonylContact C-O 3.55Å; D518-A542 WeakPolarHBondContact CA-O 3.24Å; D518-A542 HydrophobicContact CB-CB 4.43Å; D518-A542 PolarHBondContact OD1-N 2.79Å; R519-A542 PolarHBondContact N-O 2.67Å; A542-N544 VanDerWaalsContact C-N 3.27Å; A542-N544 PolarHBondContact O-N 2.72Å; A542-N544 PolarHBondContact O-ND2 3.01Å; A542-A568 CarbonylContact C-O 3.12Å; A542-A568 WeakPolarHBondContact CA-O 3.22Å; A542-A568 HydrophobicContact CB-CB 4.33Å |
| 543 | H | 94.9 | Very high | 91.6 | Very high | 70 Ų | 70 | 42.4 Ų | 42.4 | 32% | 0.324 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 40.8 | 177.8 | -62.5 | -85.1 | 0 | 0 | 0 | 113.8 | R519 A568 F569 | R519-H543 WeakPolarHBondContact CA-O 3.48Å; R519-H543 HydrophobicContact CB-CB 4.46Å; R519-H543 HydrophobicContact CG-CB 3.59Å; H543-A568 PolarHBondContact N-O 3.02Å; H543-F569 VanDerWaalsContact CA-O 3.31Å; H543-F569 WeakPolarHBondContact CA-O 3.33Å; H543-F569 AromaticContact CE1-CD2 3.53Å; H543-F569 AromaticContact CE1-CG 3.52Å; H543-F569 AromaticContact NE2-CD2 3.43Å; H543-F569 WeakPolarHBondContact NE2-CD2 3.37Å; H543-F569 AromaticContact NE2-CG 3.88Å |
| 544 | N | 95.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.032 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -106.1 | -165.1 | 170.5 | -85.2 | -83.9 | 0 | 0 | 0 | 110.2 | L517 N520 I522 L541 A542 I546 N570 | L517-N544 PolarHBondContact O-ND2 2.94Å; N520-N544 WeakPolarHBondContact CA-OD1 3.19Å; N520-N544 WeakPolarHBondContact CB-OD1 3.28Å; N520-N544 PolarHBondContact N-OD1 2.97Å; N520-N544 PolarHBondContact O-OD1 3.06Å; I522-N544 HydrophobicContact CB-CB 4.21Å; I522-N544 VanDerWaalsContact CB-OD1 3.26Å; I522-N544 WeakPolarHBondContact CB-OD1 3.3Å; I522-N544 WeakPolarHBondContact CG1-OD1 3.19Å; I522-N544 PolarHBondContact N-OD1 3.23Å; L541-N544 PolarHBondContact O-ND2 3.3Å; L541-N544 VanDerWaalsContact O-ND2 3.14Å; A542-N544 VanDerWaalsContact C-N 3.27Å; A542-N544 PolarHBondContact O-N 2.72Å; A542-N544 PolarHBondContact O-ND2 3.01Å; N544-I546 HydrophobicContact CB-CD1 4.39Å; N544-I546 HydrophobicContact CB-CG1 4.23Å; N544-N570 VanDerWaalsContact CA-OD1 3.29Å; N544-N570 WeakPolarHBondContact CA-OD1 3.3Å; N544-N570 WeakPolarHBondContact CB-OD1 3.26Å; N544-N570 PolarHBondContact N-OD1 3.37Å; N544-N570 PolarHBondContact O-OD1 2.8Å |
| 545 | Q | 95.6 | Very high | 92.2 | Very high | 63 Ų | 63 | 39.7 Ų | 39.7 | 29% | 0.294 | 19% | 0.187 | S | C | . | . | trans | -115 | 27.1 | -178 | -62.1 | 175.4 | 14.6 | 0 | 0 | 111.7 | I522 R523 H547 N570 | I522-Q545 CarbonylContact O-C 3.58Å; I522-Q545 VanDerWaalsContact O-CA 3.29Å; I522-Q545 WeakPolarHBondContact O-CA 3.24Å; I522-Q545 PolarHBondContact O-N 3.03Å; R523-Q545 WeakPolarHBondContact CA-O 3.38Å; R523-Q545 HydrophobicContact CG-CB 3.97Å; Q545-H547 PolarHBondContact O-CD2 2.85Å; Q545-H547 PolarHBondContact O-N 3.12Å; Q545-N570 PolarHBondContact N-OD1 3Å | ||
| 546 | I | 94.8 | Very high | 92 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | trans | -71 | 131.3 | -173.2 | -55 | 165.7 | 0 | 0 | 0 | 110.3 | I522 R523 L525 L541 N544 N570 K571 M572 | I522-I546 HydrophobicContact CG2-CD1 4.49Å; I522-I546 HydrophobicContact CG2-CG1 4.18Å; I522-I546 WeakPolarHBondContact O-CG1 3.14Å; I522-I546 PolarHBondContact O-N 3.09Å; R523-I546 WeakPolarHBondContact O-CA 3.39Å; L525-I546 HydrophobicContact CD2-CD1 3.97Å; L525-I546 HydrophobicContact CG-CD1 4.24Å; L525-I546 HydrophobicContact CG-CG2 4.26Å; L541-I546 HydrophobicContact CB-CD1 4.03Å; L541-I546 HydrophobicContact CD1-CD1 4.2Å; L541-I546 HydrophobicContact CD2-CD1 4.46Å; L541-I546 HydrophobicContact CG-CD1 4.48Å; N544-I546 HydrophobicContact CB-CD1 4.39Å; N544-I546 HydrophobicContact CB-CG1 4.23Å; I546-N570 HydrophobicContact CB-CB 4.22Å; I546-N570 VanDerWaalsContact CB-OD1 3.31Å; I546-N570 WeakPolarHBondContact CB-OD1 3.12Å; I546-N570 VanDerWaalsContact CG1-OD1 3.27Å; I546-N570 WeakPolarHBondContact CG1-OD1 3.49Å; I546-N570 PolarHBondContact N-OD1 3.04Å; I546-K571 CarbonylContact O-C 3.5Å; I546-K571 WeakPolarHBondContact O-CA 3.28Å; I546-K571 PolarHBondContact O-N 3.16Å; I546-M572 HydrophobicContact CB-CE 3.72Å; I546-M572 HydrophobicContact CB-CG 4.49Å; I546-M572 HydrophobicContact CD1-CE 4.22Å; I546-M572 HydrophobicContact CG2-CE 3.58Å; I546-M572 HydrophobicContact CG2-CG 4.39Å; I546-M572 WeakPolarHBondContact O-CG 3.34Å; I546-M572 PolarHBondContact O-N 2.89Å; I546-M572 VanDerWaalsContact O-N 3.1Å | ||
| 547 | H | 92.7 | Very high | 91.7 | Very high | 99 Ų | 99 | 37.9 Ų | 37.9 | 46% | 0.458 | 18% | 0.184 | S | C | . | . | trans | -97.7 | -20.6 | -173.4 | -69.5 | -65.6 | 0 | 0 | 0 | 116.1 | R523 Q545 M572 Q573 | R523-H547 PolarHBondContact O-N 2.84Å; Q545-H547 PolarHBondContact O-CD2 2.85Å; Q545-H547 PolarHBondContact O-N 3.12Å; H547-M572 VanDerWaalsContact O-CA 3.25Å; H547-M572 WeakPolarHBondContact O-CA 3.37Å; H547-Q573 PolarHBondContact O-N 3.35Å | ||
| 548 | A | 91.4 | Very high | 91.1 | Very high | 32 Ų | 32 | 38.1 Ų | 38.1 | 26% | 0.264 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 153.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F574 | A548-F574 WeakPolarHBondContact CA-O 3.41Å; A548-F574 HydrophobicContact CB-CB 4.32Å |
| 549 | L | 91.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.8 | 160.1 | -67.8 | 179.6 | 0 | 0 | 0 | 108.3 | L525 F554 M572 F574 L575 A576 S579 F580 L591 | L525-L549 HydrophobicContact CD1-CD2 3.5Å; L525-L549 VanDerWaalsContact CD1-CD2 3.5Å; L549-F554 HydrophobicContact CD2-CD2 4.47Å; L549-F554 HydrophobicContact CD2-CE2 3.89Å; L549-M572 HydrophobicContact CD1-CE 4.28Å; L549-M572 HydrophobicContact CD1-SD 4.01Å; L549-M572 HydrophobicContact CD2-CE 3.89Å; L549-M572 HydrophobicContact CD2-SD 4.4Å; L549-M572 HydrophobicContact CG-CE 3.86Å; L549-M572 HydrophobicContact CG-SD 3.7Å; L549-F574 PolarHBondContact N-O 3.31Å; L549-F574 VanDerWaalsContact N-O 3.16Å; L549-L575 HydrophobicContact CB-CD1 3.66Å; L549-L575 HydrophobicContact CD1-CD1 3.99Å; L549-L575 HydrophobicContact CG-CD1 4.38Å; L549-A576 PolarHBondContact O-N 3.5Å; L549-S579 PolarHBondContact O-OG 3Å; L549-F580 HydrophobicContact CD1-CE1 4.25Å; L549-F580 HydrophobicContact CD1-CZ 3.84Å; L549-L591 HydrophobicContact CD1-CD2 3.79Å |
| 550 | T | 88.5 | Confident | 90.4 | Very high | 50 Ų | 50 | 38.7 Ų | 38.7 | 31% | 0.307 | 19% | 0.186 | S | C | . | . | trans | -108.9 | 173.2 | -179.5 | 71.2 | 0 | 0 | 0 | 0 | 110.6 | D552 S553 | T550-D552 PolarHBondContact O-N 3.05Å; T550-D552 VanDerWaalsContact O-N 3.07Å; T550-D552 PolarHBondContact OG1-N 3.48Å; T550-S553 PolarHBondContact N-OG 2.82Å; T550-S553 PolarHBondContact O-N 3.15Å; T550-S553 VanDerWaalsContact O-N 3.11Å; T550-S553 PolarHBondContact O-OG 3.11Å; T550-S553 PolarHBondContact OG1-OG 3.3Å | ||
| 551 | Y | 84.3 | Confident | 90.3 | Very high | 97 Ų | 97 | 40.2 Ų | 40.2 | 38% | 0.38 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -25.7 | 173.3 | -176.3 | -100.2 | 0 | 0 | 0 | 114.4 | K578 R581 | Y551-K578 HydrophobicContact CD2-CB 3.91Å; Y551-K578 HydrophobicContact CE2-CB 3.96Å; Y551-K578 HydrophobicContact CE2-CD 4.35Å; Y551-R581 VanDerWaalsContact CE1-NE 3.33Å; Y551-R581 VanDerWaalsContact CZ-NE 3.3Å; Y551-R581 PolarHBondContact OH-NH1 2.95Å |
| 552 | D | 85.1 | Confident | 90.2 | Very high | 71 Ų | 71 | 40.2 Ų | 40.2 | 38% | 0.38 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 6.1 | -176.3 | -64.6 | -46.1 | 0 | 0 | 0 | 113.3 | T527 T550 P555 | T527-D552 HydrophobicContact CG2-CB 4.03Å; T550-D552 PolarHBondContact O-N 3.05Å; T550-D552 VanDerWaalsContact O-N 3.07Å; T550-D552 PolarHBondContact OG1-N 3.48Å; D552-P555 VanDerWaalsContact O-CD 3.24Å; D552-P555 WeakPolarHBondContact O-CD 3.3Å |
| 553 | S | 88.5 | Confident | 90.4 | Very high | 7 Ų | 7 | 44 Ų | 44 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -47 | 178.9 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | T550 P555 | T550-S553 PolarHBondContact N-OG 2.82Å; T550-S553 PolarHBondContact O-N 3.15Å; T550-S553 VanDerWaalsContact O-N 3.11Å; T550-S553 PolarHBondContact O-OG 3.11Å; T550-S553 PolarHBondContact OG1-OG 3.3Å; S553-P555 VanDerWaalsContact C-CD 3.42Å |
| 554 | F | 89.7 | Confident | 90.5 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -131.1 | 60.4 | 177.3 | -61.3 | -72.6 | 0 | 0 | 0 | 112.2 | L525 I539 L541 L549 G556 Y559 L562 I565 F580 L583 | L525-F554 HydrophobicContact CD1-CE2 4.01Å; L525-F554 HydrophobicContact CD1-CZ 3.98Å; I539-F554 HydrophobicContact CD1-CE1 4.15Å; I539-F554 HydrophobicContact CG2-CE1 3.99Å; I539-F554 HydrophobicContact CG2-CZ 4.3Å; L541-F554 HydrophobicContact CD1-CZ 4.19Å; L549-F554 HydrophobicContact CD2-CD2 4.47Å; L549-F554 HydrophobicContact CD2-CE2 3.89Å; F554-G556 PolarHBondContact O-N 3.38Å; F554-Y559 HydrophobicContact CB-CD2 4.42Å; F554-Y559 HydrophobicContact CD1-CD2 4.44Å; F554-Y559 HydrophobicContact CD1-CE1 4.45Å; F554-Y559 HydrophobicContact CD1-CE2 4.38Å; F554-Y559 HydrophobicContact CD1-CG 4.49Å; F554-L562 HydrophobicContact CD1-CD1 3.9Å; F554-L562 HydrophobicContact CG-CD1 4.45Å; F554-I565 HydrophobicContact CB-CD1 4.44Å; F554-I565 HydrophobicContact CD1-CD1 4.48Å; F554-I565 HydrophobicContact CD2-CD1 4.06Å; F554-I565 HydrophobicContact CE2-CD1 4.44Å; F554-I565 HydrophobicContact CE2-CG2 3.97Å; F554-I565 HydrophobicContact CG-CD1 4.08Å; F554-I565 HydrophobicContact CZ-CG2 4.13Å; F554-F580 HydrophobicContact CD2-CE1 4.25Å; F554-L583 HydrophobicContact CB-CD1 4.26Å |
| 555 | P | 86.6 | Confident | 90.6 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | trans | -60.4 | 120.6 | 177.8 | 25.5 | -37 | 0 | 0 | 0 | 111.4 | D552 S553 E557 Y558 Y559 | D552-P555 VanDerWaalsContact O-CD 3.24Å; D552-P555 WeakPolarHBondContact O-CD 3.3Å; S553-P555 VanDerWaalsContact C-CD 3.42Å; P555-E557 VanDerWaalsContact CB-OE2 3.24Å; P555-E557 WeakPolarHBondContact CB-OE2 3.21Å; P555-E557 PolarHBondContact O-N 3.32Å; P555-Y558 HydrophobicContact CB-CD2 4.18Å; P555-Y558 HydrophobicContact CG-CD2 3.57Å; P555-Y558 HydrophobicContact CG-CE2 4.29Å; P555-Y558 HydrophobicContact CG-CG 4.44Å; P555-Y558 PolarHBondContact O-N 2.99Å; P555-Y559 HydrophobicContact CG-CD2 4.16Å; P555-Y559 HydrophobicContact CG-CE2 4.24Å; P555-Y559 WeakPolarHBondContact O-CD2 3.34Å; P555-Y559 PolarHBondContact O-N 3.48Å | ||
| 556 | G | 86.5 | Confident | 90.6 | Very high | 5 Ų | 5 | 40 Ų | 40 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.2 | -14 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F554 Y558 R560 R581 N582 | F554-G556 PolarHBondContact O-N 3.38Å; G556-Y558 PolarHBondContact O-N 3.17Å; G556-R560 WeakPolarHBondContact O-CA 3.24Å; G556-R560 WeakPolarHBondContact O-CB 3.32Å; G556-R560 PolarHBondContact O-N 3.27Å; G556-R581 WeakPolarHBondContact CA-O 3.27Å; G556-R581 PolarHBondContact N-O 2.92Å; G556-R581 VanDerWaalsContact N-O 3.09Å; G556-N582 WeakPolarHBondContact CA-O 3.35Å |
| 557 | E | 85.7 | Confident | 90.7 | Very high | 84 Ų | 84 | 39.9 Ų | 39.9 | 39% | 0.393 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.3 | -25.4 | 168.8 | -56.9 | 77.4 | -158.6 | 0 | 0 | 112.1 | P555 R581 N582 | P555-E557 VanDerWaalsContact CB-OE2 3.24Å; P555-E557 WeakPolarHBondContact CB-OE2 3.21Å; P555-E557 PolarHBondContact O-N 3.32Å; E557-R581 IonicContact OE1-CZ 3.99Å; E557-R581 IonicContact OE1-NH1 3.49Å; E557-R581 IonicContact OE1-NH2 2.69Å; E557-R581 IonicContact OE2-CZ 2.78Å; E557-R581 IonicContact OE2-NH2 2.78Å; E557-R581 PolarHBondContact OE2-NH2 2.86Å; E557-N582 PolarHBondContact OE1-ND2 2.92Å |
| 558 | Y | 84.7 | Confident | 90.8 | Very high | 40 Ų | 40 | 35.4 Ų | 35.4 | 16% | 0.157 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -115.1 | -20.3 | -177 | -59.2 | -41.3 | 0 | 0 | 0 | 113.8 | K529 M530 Y531 L533 I534 P555 G556 | K529-Y558 HydrophobicContact CB-CE2 3.96Å; K529-Y558 WeakPolarHBondContact CB-OH 3.26Å; K529-Y558 WeakPolarHBondContact CD-OH 3.11Å; K529-Y558 HydrophobicContact CG-CE2 4.2Å; K529-Y558 WeakPolarHBondContact CG-OH 3.31Å; M530-Y558 VanDerWaalsContact O-CB 3.23Å; M530-Y558 WeakPolarHBondContact O-CB 3.34Å; M530-Y558 WeakPolarHBondContact O-CD1 3.46Å; Y531-Y558 HydrophobicContact CD1-CD1 4.41Å; Y531-Y558 AromaticContact CD1-CE1 3.61Å; Y531-Y558 HydrophobicContact CD1-CE1 3.61Å; Y531-Y558 AromaticContact CE1-CE1 3.87Å; Y531-Y558 HydrophobicContact CE1-CE1 3.87Å; Y531-Y558 HydrophobicContact CG-CE1 4.12Å; L533-Y558 CarbonylContact C-O 3.28Å; I534-Y558 VanDerWaalsContact CA-O 3.26Å; I534-Y558 WeakPolarHBondContact CA-O 3.38Å; I534-Y558 PolarHBondContact N-O 3.13Å; I534-Y558 VanDerWaalsContact N-O 3.15Å; P555-Y558 HydrophobicContact CB-CD2 4.18Å; P555-Y558 HydrophobicContact CG-CD2 3.57Å; P555-Y558 HydrophobicContact CG-CE2 4.29Å; P555-Y558 HydrophobicContact CG-CG 4.44Å; P555-Y558 PolarHBondContact O-N 2.99Å; G556-Y558 PolarHBondContact O-N 3.17Å |
| 559 | Y | 88.2 | Confident | 90.9 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -121.8 | 27.5 | -174.8 | -67 | -78.7 | 0 | 0 | 0 | 113.7 | M530 L533 L536 F554 P555 N561 L562 L583 | M530-Y559 WeakPolarHBondContact CE-OH 3.09Å; M530-Y559 PolarHBondContact SD-OH 2.96Å; L533-Y559 HydrophobicContact CB-CD1 4.26Å; L533-Y559 HydrophobicContact CB-CE1 3.94Å; L533-Y559 HydrophobicContact CD1-CE1 3.87Å; L536-Y559 HydrophobicContact CD2-CD1 4.12Å; L536-Y559 HydrophobicContact CD2-CE1 4.02Å; F554-Y559 HydrophobicContact CB-CD2 4.42Å; F554-Y559 HydrophobicContact CD1-CD2 4.44Å; F554-Y559 HydrophobicContact CD1-CE1 4.45Å; F554-Y559 HydrophobicContact CD1-CE2 4.38Å; F554-Y559 HydrophobicContact CD1-CG 4.49Å; P555-Y559 HydrophobicContact CG-CD2 4.16Å; P555-Y559 HydrophobicContact CG-CE2 4.24Å; P555-Y559 WeakPolarHBondContact O-CD2 3.34Å; P555-Y559 PolarHBondContact O-N 3.48Å; Y559-N561 PolarHBondContact O-N 3.44Å; Y559-L562 HydrophobicContact CD1-CD1 3.89Å; Y559-L562 HydrophobicContact CD1-CG 4.32Å; Y559-L562 HydrophobicContact CG-CD1 3.97Å; Y559-L562 WeakPolarHBondContact O-CB 3.31Å; Y559-L562 PolarHBondContact O-N 2.7Å; Y559-L583 WeakPolarHBondContact O-CD2 3.35Å |
| 560 | R | 88.2 | Confident | 91.1 | Very high | 149 Ų | 149 | 37.4 Ų | 37.4 | 56% | 0.562 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -31.7 | -168.7 | -170.7 | 173 | 177 | 160.4 | -0.1 | 115.3 | I534 G556 P584 F585 | I534-R560 HydrophobicContact CG1-CB 4.2Å; G556-R560 WeakPolarHBondContact O-CA 3.24Å; G556-R560 WeakPolarHBondContact O-CB 3.32Å; G556-R560 PolarHBondContact O-N 3.27Å; R560-P584 HydrophobicContact CG-CG 4.15Å; R560-F585 WeakPolarHBondContact O-CD2 3.36Å |
| 561 | N | 93.1 | Very high | 91.4 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 25% | 0.251 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 3.3 | -177.1 | -67.1 | -40.8 | 0 | 0 | 0 | 115.2 | I534 L536 Y559 R563 | I534-N561 VanDerWaalsContact O-CB 3.27Å; I534-N561 WeakPolarHBondContact O-CB 3.28Å; I534-N561 VanDerWaalsContact O-CG 3.31Å; I534-N561 PolarHBondContact O-ND2 2.77Å; L536-N561 CarbonylContact O-C 3.52Å; Y559-N561 PolarHBondContact O-N 3.44Å; N561-R563 PolarHBondContact O-N 2.78Å |
| 562 | L | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -59.2 | 130 | 178.2 | -83.7 | 178.6 | 0 | 0 | 0 | 110.9 | L536 I539 F554 Y559 I565 L583 F585 L586 | L536-L562 HydrophobicContact CB-CD2 4.29Å; L536-L562 HydrophobicContact CD2-CD2 4.03Å; L536-L562 HydrophobicContact CG-CD2 3.93Å; L536-L562 VanDerWaalsContact O-CA 3.27Å; L536-L562 WeakPolarHBondContact O-CA 3.29Å; L536-L562 PolarHBondContact O-N 3.33Å; I539-L562 HydrophobicContact CG2-CD2 4.09Å; F554-L562 HydrophobicContact CD1-CD1 3.9Å; F554-L562 HydrophobicContact CG-CD1 4.45Å; Y559-L562 HydrophobicContact CD1-CD1 3.89Å; Y559-L562 HydrophobicContact CD1-CG 4.32Å; Y559-L562 HydrophobicContact CG-CD1 3.97Å; Y559-L562 WeakPolarHBondContact O-CB 3.31Å; Y559-L562 PolarHBondContact O-N 2.7Å; L562-I565 HydrophobicContact CD1-CD1 3.96Å; L562-I565 HydrophobicContact CD1-CG1 4.04Å; L562-L583 HydrophobicContact CB-CD2 4.37Å; L562-F585 CarbonylContact O-C 3.58Å; L562-L586 HydrophobicContact CB-CD1 4.49Å; L562-L586 VanDerWaalsContact O-CA 3.24Å; L562-L586 WeakPolarHBondContact O-CA 3.48Å; L562-L586 PolarHBondContact O-N 2.98Å | ||
| 563 | R | 97.7 | Very high | 92.2 | Very high | 86 Ų | 86 | 38.9 Ų | 38.9 | 33% | 0.325 | 18% | 0.175 | S | C | . | . | trans | -111.9 | -32.5 | 175.3 | -62.7 | -178 | 179.8 | -90.3 | -1.6 | 112.2 | E537 N561 F585 E587 M588 | E537-R563 WeakPolarHBondContact O-CA 3.27Å; E537-R563 WeakPolarHBondContact O-CB 3.33Å; E537-R563 PolarHBondContact O-N 3.35Å; N561-R563 PolarHBondContact O-N 2.78Å; R563-F585 WeakPolarHBondContact CA-O 3.23Å; R563-F585 HydrophobicContact CG-CB 4.29Å; R563-E587 IonicContact CZ-OE1 2.81Å; R563-E587 IonicContact NH1-OE1 3.26Å; R563-E587 PolarHBondContact NH1-OE1 2.93Å; R563-E587 WeakPolarHBondContact O-CA 3.38Å; R563-E587 WeakPolarHBondContact O-CB 3.27Å; R563-E587 PolarHBondContact O-N 2.62Å; R563-M588 PolarHBondContact O-N 2.99Å | ||
| 564 | S | 97.8 | Very high | 92 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 132.1 | -178.9 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | E537 R538 I539 M588 | E537-S564 PolarHBondContact O-N 2.76Å; E537-S564 VanDerWaalsContact O-N 3.08Å; R538-S564 WeakPolarHBondContact CA-O 3.21Å; I539-S564 PolarHBondContact N-O 3.49Å; I539-S564 VanDerWaalsContact N-O 3.08Å; S564-M588 WeakPolarHBondContact CA-O 3.41Å |
| 565 | I | 97.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 118.1 | 172.2 | -62.2 | 170 | 0 | 0 | 0 | 107.5 | I539 F554 L562 F580 L583 L586 M588 V589 N590 | I539-I565 HydrophobicContact CG2-CB 4.42Å; I539-I565 HydrophobicContact CG2-CG1 4.06Å; I539-I565 HydrophobicContact CG2-CG2 4.34Å; F554-I565 HydrophobicContact CB-CD1 4.44Å; F554-I565 HydrophobicContact CD1-CD1 4.48Å; F554-I565 HydrophobicContact CD2-CD1 4.06Å; F554-I565 HydrophobicContact CE2-CD1 4.44Å; F554-I565 HydrophobicContact CE2-CG2 3.97Å; F554-I565 HydrophobicContact CG-CD1 4.08Å; F554-I565 HydrophobicContact CZ-CG2 4.13Å; L562-I565 HydrophobicContact CD1-CD1 3.96Å; L562-I565 HydrophobicContact CD1-CG1 4.04Å; I565-F580 HydrophobicContact CD1-CD1 3.68Å; I565-F580 HydrophobicContact CD1-CE1 3.76Å; I565-F580 HydrophobicContact CG2-CE1 4.46Å; I565-L583 HydrophobicContact CD1-CD1 4.08Å; I565-L586 HydrophobicContact CD1-CD1 3.78Å; I565-L586 HydrophobicContact CD1-CD2 4.31Å; I565-L586 HydrophobicContact CG1-CD1 3.83Å; I565-M588 PolarHBondContact N-O 3.12Å; I565-V589 WeakPolarHBondContact O-CA 3.24Å; I565-N590 PolarHBondContact O-N 2.88Å |
| 566 | N | 95.7 | Very high | 92.3 | Very high | 34 Ų | 34 | 43.1 Ų | 43.1 | 18% | 0.182 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 110.5 | 172.8 | 179.8 | 16.8 | 0 | 0 | 0 | 110 | I539 S540 L541 A568 N590 | I539-N566 PolarHBondContact O-N 2.6Å; S540-N566 PolarHBondContact OG-ND2 3.22Å; L541-N566 PolarHBondContact N-O 2.87Å; N566-A568 WeakPolarHBondContact OD1-CB 3.26Å; N566-A568 PolarHBondContact OD1-N 3.45Å; N566-A568 VanDerWaalsContact OD1-N 3.15Å; N566-N590 HydrophobicContact CB-CB 4.49Å |
| 567 | C | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -124.4 | 31 | 174.9 | -66.9 | 0 | 0 | 0 | 0 | 110.9 | N570 M572 N590 L591 N594 | C567-N570 PolarHBondContact O-ND2 3.18Å; C567-M572 HydrophobicContact CB-CE 3.6Å; C567-M572 HydrophobicContact CB-SD 4.46Å; C567-N590 CarbonylContact C-O 3.57Å; C567-N590 PolarHBondContact N-O 3.1Å; C567-L591 HydrophobicContact CB-CD2 3.93Å; C567-N594 PolarHBondContact O-ND2 3.05Å | ||
| 568 | A | 94.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 152.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A542 H543 N566 N570 N590 Q592 | A542-A568 CarbonylContact C-O 3.12Å; A542-A568 WeakPolarHBondContact CA-O 3.22Å; A542-A568 HydrophobicContact CB-CB 4.33Å; H543-A568 PolarHBondContact N-O 3.02Å; N566-A568 WeakPolarHBondContact OD1-CB 3.26Å; N566-A568 PolarHBondContact OD1-N 3.45Å; N566-A568 VanDerWaalsContact OD1-N 3.15Å; A568-N570 VanDerWaalsContact C-N 3.31Å; A568-N570 PolarHBondContact O-N 3.21Å; A568-N570 PolarHBondContact O-ND2 3.48Å; A568-N590 PolarHBondContact N-O 3Å; A568-Q592 CarbonylContact C-O 3.59Å; A568-Q592 WeakPolarHBondContact CA-O 3.28Å; A568-Q592 HydrophobicContact CB-CB 4.22Å |
| 569 | F | 95.1 | Very high | 93 | Very high | 74 Ų | 74 | 43.8 Ų | 43.8 | 33% | 0.325 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 43.1 | 173.5 | -57.7 | -76 | 0 | 0 | 0 | 114.2 | H543 Q592 G593 | H543-F569 VanDerWaalsContact CA-O 3.31Å; H543-F569 WeakPolarHBondContact CA-O 3.33Å; H543-F569 AromaticContact CE1-CD2 3.53Å; H543-F569 AromaticContact CE1-CG 3.52Å; H543-F569 AromaticContact NE2-CD2 3.43Å; H543-F569 WeakPolarHBondContact NE2-CD2 3.37Å; H543-F569 AromaticContact NE2-CG 3.88Å; F569-Q592 HydrophobicContact CE1-CG 4.46Å; F569-Q592 HydrophobicContact CE2-CG 4.14Å; F569-Q592 HydrophobicContact CZ-CG 3.87Å; F569-Q592 PolarHBondContact N-O 3.16Å; F569-G593 WeakPolarHBondContact CA-O 3.1Å |
| 570 | N | 94.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.011 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -96.8 | -161 | 169.3 | -85.9 | -87.1 | 0 | 0 | 0 | 110.1 | L541 N544 Q545 I546 C567 A568 M572 N594 | L541-N570 PolarHBondContact O-ND2 3.2Å; N544-N570 VanDerWaalsContact CA-OD1 3.29Å; N544-N570 WeakPolarHBondContact CA-OD1 3.3Å; N544-N570 WeakPolarHBondContact CB-OD1 3.26Å; N544-N570 PolarHBondContact N-OD1 3.37Å; N544-N570 PolarHBondContact O-OD1 2.8Å; Q545-N570 PolarHBondContact N-OD1 3Å; I546-N570 HydrophobicContact CB-CB 4.22Å; I546-N570 VanDerWaalsContact CB-OD1 3.31Å; I546-N570 WeakPolarHBondContact CB-OD1 3.12Å; I546-N570 VanDerWaalsContact CG1-OD1 3.27Å; I546-N570 WeakPolarHBondContact CG1-OD1 3.49Å; I546-N570 PolarHBondContact N-OD1 3.04Å; C567-N570 PolarHBondContact O-ND2 3.18Å; A568-N570 VanDerWaalsContact C-N 3.31Å; A568-N570 PolarHBondContact O-N 3.21Å; A568-N570 PolarHBondContact O-ND2 3.48Å; N570-M572 HydrophobicContact CB-CE 4.08Å; N570-M572 HydrophobicContact CB-CG 4.05Å; N570-N594 VanDerWaalsContact CA-OD1 3.26Å; N570-N594 WeakPolarHBondContact CA-OD1 3.41Å; N570-N594 WeakPolarHBondContact CB-OD1 3.47Å; N570-N594 PolarHBondContact N-OD1 3.19Å; N570-N594 PolarHBondContact O-OD1 2.87Å |
| 571 | K | 94.6 | Very high | 93.3 | Very high | 110 Ų | 110 | 38.8 Ų | 38.8 | 48% | 0.478 | 18% | 0.182 | S | C | . | . | trans | -115.1 | 30.6 | 178.6 | -60.3 | -60.8 | -178.6 | -171.2 | 0 | 111.4 | I546 Q573 | I546-K571 CarbonylContact O-C 3.5Å; I546-K571 WeakPolarHBondContact O-CA 3.28Å; I546-K571 PolarHBondContact O-N 3.16Å; K571-Q573 PolarHBondContact O-N 2.73Å | ||
| 572 | M | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -75.4 | 123.6 | -168.3 | -59.8 | 177.2 | -176.7 | 0 | 0 | 111.5 | I546 H547 L549 C567 N570 L591 N594 N595 F596 | I546-M572 HydrophobicContact CB-CE 3.72Å; I546-M572 HydrophobicContact CB-CG 4.49Å; I546-M572 HydrophobicContact CD1-CE 4.22Å; I546-M572 HydrophobicContact CG2-CE 3.58Å; I546-M572 HydrophobicContact CG2-CG 4.39Å; I546-M572 WeakPolarHBondContact O-CG 3.34Å; I546-M572 PolarHBondContact O-N 2.89Å; I546-M572 VanDerWaalsContact O-N 3.1Å; H547-M572 VanDerWaalsContact O-CA 3.25Å; H547-M572 WeakPolarHBondContact O-CA 3.37Å; L549-M572 HydrophobicContact CD1-CE 4.28Å; L549-M572 HydrophobicContact CD1-SD 4.01Å; L549-M572 HydrophobicContact CD2-CE 3.89Å; L549-M572 HydrophobicContact CD2-SD 4.4Å; L549-M572 HydrophobicContact CG-CE 3.86Å; L549-M572 HydrophobicContact CG-SD 3.7Å; C567-M572 HydrophobicContact CB-CE 3.6Å; C567-M572 HydrophobicContact CB-SD 4.46Å; N570-M572 HydrophobicContact CB-CE 4.08Å; N570-M572 HydrophobicContact CB-CG 4.05Å; M572-L591 HydrophobicContact SD-CD2 4.4Å; M572-N594 HydrophobicContact CB-CB 4.1Å; M572-N594 WeakPolarHBondContact CB-OD1 3.37Å; M572-N594 VanDerWaalsContact CG-OD1 3.31Å; M572-N594 WeakPolarHBondContact CG-OD1 3.42Å; M572-N594 PolarHBondContact N-OD1 3.02Å; M572-N594 VanDerWaalsContact N-OD1 3.11Å; M572-N595 CarbonylContact O-C 3.53Å; M572-N595 WeakPolarHBondContact O-CA 3.41Å; M572-N595 WeakPolarHBondContact O-CB 3.49Å; M572-N595 PolarHBondContact O-N 3.1Å; M572-F596 HydrophobicContact CB-CD1 4.4Å; M572-F596 HydrophobicContact CB-CE1 3.49Å; M572-F596 VanDerWaalsContact CB-CE1 3.49Å; M572-F596 HydrophobicContact CB-CE2 4.13Å; M572-F596 HydrophobicContact CB-CZ 3.34Å; M572-F596 HydrophobicContact CG-CZ 4.17Å; M572-F596 PolarHBondContact O-N 3Å; M572-F596 HydrophobicContact SD-CE2 4.48Å; M572-F596 HydrophobicContact SD-CZ 3.76Å | ||
| 573 | Q | 91.4 | Very high | 93 | Very high | 138 Ų | 138 | 41.6 Ų | 41.6 | 65% | 0.645 | 20% | 0.197 | S | C | * | . | trans | -105.5 | -24.6 | 176.3 | -66.4 | 178.4 | 3.3 | 0 | 0 | 112.6 | H547 K571 N595 | H547-Q573 PolarHBondContact O-N 3.35Å; K571-Q573 PolarHBondContact O-N 2.73Å; Q573-N595 HydrophobicContact CG-CB 3.81Å | ||
| 574 | F | 85.5 | Confident | 92.8 | Very high | 97 Ų | 97 | 39.4 Ų | 39.4 | 43% | 0.425 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 130 | -175.1 | -178.8 | -106.9 | 0 | 0 | 0 | 111.8 | A548 L549 A576 | A548-F574 WeakPolarHBondContact CA-O 3.41Å; A548-F574 HydrophobicContact CB-CB 4.32Å; L549-F574 PolarHBondContact N-O 3.31Å; L549-F574 VanDerWaalsContact N-O 3.16Å; F574-A576 HydrophobicContact CE1-CB 3.66Å; F574-A576 HydrophobicContact CZ-CB 4.1Å |
| 575 | L | 91.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 105.2 | 174.8 | -179.9 | 58.5 | 0 | 0 | 0 | 108.6 | L549 F580 L591 F596 L599 T603 F604 | L549-L575 HydrophobicContact CB-CD1 3.66Å; L549-L575 HydrophobicContact CD1-CD1 3.99Å; L549-L575 HydrophobicContact CG-CD1 4.38Å; L575-F580 HydrophobicContact CD1-CE2 4.19Å; L575-F580 HydrophobicContact CD1-CZ 4.45Å; L575-L591 HydrophobicContact CD2-CD1 3.86Å; L575-F596 HydrophobicContact CB-CD1 4.01Å; L575-F596 HydrophobicContact CB-CE1 3.58Å; L575-F596 HydrophobicContact CB-CZ 4.06Å; L575-L599 HydrophobicContact CD2-CD2 4.16Å; L575-T603 HydrophobicContact CD2-CG2 3.31Å; L575-T603 HydrophobicContact CG-CG2 3.6Å; L575-F604 HydrophobicContact CD2-CE2 4.42Å; L575-F604 HydrophobicContact CD2-CZ 4.2Å |
| 576 | A | 90.2 | Very high | 92.7 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 7% | 0.074 | 20% | 0.204 | C | C | . | . | trans | -66.2 | 149.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L549 F574 K578 S579 | L549-A576 PolarHBondContact O-N 3.5Å; F574-A576 HydrophobicContact CE1-CB 3.66Å; F574-A576 HydrophobicContact CZ-CB 4.1Å; A576-K578 PolarHBondContact O-N 2.97Å; A576-S579 PolarHBondContact N-OG 3.14Å; A576-S579 WeakPolarHBondContact O-CB 3.49Å; A576-S579 PolarHBondContact O-N 2.93Å; A576-S579 PolarHBondContact O-OG 3.28Å | ||
| 577 | P | 91.3 | Very high | 92.8 | Very high | 52 Ų | 52 | 42.9 Ų | 42.9 | 34% | 0.338 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 140.2 | 165 | -27.2 | 36.4 | 0 | 0 | 0 | 111.4 | S579 H600 M601 | P577-S579 PolarHBondContact O-N 3.14Å; P577-H600 HydrophobicContact CG-CB 4.33Å; P577-M601 WeakPolarHBondContact CB-O 3.29Å; P577-M601 WeakPolarHBondContact CG-O 3.43Å |
| 578 | K | 90.4 | Very high | 92.9 | Very high | 92 Ų | 92 | 45.6 Ų | 45.6 | 40% | 0.4 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 25.5 | 178.5 | -63.6 | 170 | -178.9 | 178.1 | 0 | 114.4 | Y551 A576 F580 R581 Y602 I605 | Y551-K578 HydrophobicContact CD2-CB 3.91Å; Y551-K578 HydrophobicContact CE2-CB 3.96Å; Y551-K578 HydrophobicContact CE2-CD 4.35Å; A576-K578 PolarHBondContact O-N 2.97Å; K578-F580 PolarHBondContact O-N 3.38Å; K578-F580 VanDerWaalsContact O-N 3.08Å; K578-R581 HydrophobicContact CB-CB 4.28Å; K578-R581 WeakPolarHBondContact O-CB 3.39Å; K578-R581 PolarHBondContact O-N 3.37Å; K578-R581 VanDerWaalsContact O-N 3.1Å; K578-Y602 PolarHBondContact N-O 3.29Å; K578-I605 HydrophobicContact CB-CG2 4.42Å; K578-I605 HydrophobicContact CG-CG2 3.57Å |
| 579 | S | 89.8 | Confident | 93.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -25.4 | 176.6 | -68.6 | 0 | 0 | 0 | 0 | 113.8 | L549 A576 P577 | L549-S579 PolarHBondContact O-OG 3Å; A576-S579 PolarHBondContact N-OG 3.14Å; A576-S579 WeakPolarHBondContact O-CB 3.49Å; A576-S579 PolarHBondContact O-N 2.93Å; A576-S579 PolarHBondContact O-OG 3.28Å; P577-S579 PolarHBondContact O-N 3.14Å |
| 580 | F | 93.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 30.2 | -179.8 | -54.9 | -68.6 | 0 | 0 | 0 | 112.9 | L549 F554 I565 L575 K578 L583 L586 V589 L591 F604 L607 | L549-F580 HydrophobicContact CD1-CE1 4.25Å; L549-F580 HydrophobicContact CD1-CZ 3.84Å; F554-F580 HydrophobicContact CD2-CE1 4.25Å; I565-F580 HydrophobicContact CD1-CD1 3.68Å; I565-F580 HydrophobicContact CD1-CE1 3.76Å; I565-F580 HydrophobicContact CG2-CE1 4.46Å; L575-F580 HydrophobicContact CD1-CE2 4.19Å; L575-F580 HydrophobicContact CD1-CZ 4.45Å; K578-F580 PolarHBondContact O-N 3.38Å; K578-F580 VanDerWaalsContact O-N 3.08Å; F580-L583 HydrophobicContact CB-CD1 4.06Å; F580-L583 HydrophobicContact CD1-CD1 4.34Å; F580-L586 HydrophobicContact CB-CD2 4.09Å; F580-L586 HydrophobicContact CD1-CD2 4.27Å; F580-L586 HydrophobicContact CG-CD2 4.28Å; F580-V589 HydrophobicContact CE1-CG1 4.48Å; F580-V589 HydrophobicContact CE1-CG2 4.49Å; F580-V589 HydrophobicContact CE2-CG1 4.27Å; F580-V589 HydrophobicContact CZ-CG1 3.91Å; F580-L591 HydrophobicContact CE2-CD1 4.42Å; F580-L591 HydrophobicContact CZ-CD1 4.26Å; F580-F604 AromaticContact CD2-CD1 3.83Å; F580-F604 HydrophobicContact CD2-CD1 3.83Å; F580-F604 AromaticContact CD2-CE1 3.71Å; F580-F604 HydrophobicContact CD2-CE1 3.71Å; F580-F604 HydrophobicContact CE2-CD1 4.05Å; F580-F604 AromaticContact CE2-CE1 3.44Å; F580-F604 HydrophobicContact CE2-CE1 3.44Å; F580-F604 VanDerWaalsContact CE2-CE1 3.44Å; F580-F604 HydrophobicContact CE2-CZ 4.18Å; F580-F604 HydrophobicContact CZ-CE1 4.48Å; F580-L607 HydrophobicContact CB-CD1 4.38Å; F580-L607 HydrophobicContact CB-CD2 4.04Å; F580-L607 VanDerWaalsContact O-CD2 3.3Å; F580-L607 WeakPolarHBondContact O-CD2 2.95Å |
| 581 | R | 89.3 | Confident | 93.3 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 17% | 0.174 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 146.1 | -175.3 | 70.5 | -174.1 | 178.5 | 130 | 13 | 112.7 | Y551 G556 E557 K578 L583 | Y551-R581 VanDerWaalsContact CE1-NE 3.33Å; Y551-R581 VanDerWaalsContact CZ-NE 3.3Å; Y551-R581 PolarHBondContact OH-NH1 2.95Å; G556-R581 WeakPolarHBondContact CA-O 3.27Å; G556-R581 PolarHBondContact N-O 2.92Å; G556-R581 VanDerWaalsContact N-O 3.09Å; E557-R581 IonicContact OE1-CZ 3.99Å; E557-R581 IonicContact OE1-NH1 3.49Å; E557-R581 IonicContact OE1-NH2 2.69Å; E557-R581 IonicContact OE2-CZ 2.78Å; E557-R581 IonicContact OE2-NH2 2.78Å; E557-R581 PolarHBondContact OE2-NH2 2.86Å; K578-R581 HydrophobicContact CB-CB 4.28Å; K578-R581 WeakPolarHBondContact O-CB 3.39Å; K578-R581 PolarHBondContact O-N 3.37Å; K578-R581 VanDerWaalsContact O-N 3.1Å; R581-L583 PolarHBondContact O-N 3.02Å |
| 582 | N | 88.5 | Confident | 93.4 | Very high | 104 Ų | 104 | 39.5 Ų | 39.5 | 56% | 0.556 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 29.2 | 171.8 | -61.1 | -24.8 | 0 | 0 | 0 | 114.1 | G556 E557 P584 | G556-N582 WeakPolarHBondContact CA-O 3.35Å; E557-N582 PolarHBondContact OE1-ND2 2.92Å; N582-P584 VanDerWaalsContact C-CD 3.46Å; N582-P584 WeakPolarHBondContact O-CD 3.15Å |
| 583 | L | 93.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | trans | -102.6 | 79.9 | 174.6 | -59.8 | 179.3 | 0 | 0 | 0 | 110.8 | F554 Y559 L562 I565 F580 R581 F585 L586 | F554-L583 HydrophobicContact CB-CD1 4.26Å; Y559-L583 WeakPolarHBondContact O-CD2 3.35Å; L562-L583 HydrophobicContact CB-CD2 4.37Å; I565-L583 HydrophobicContact CD1-CD1 4.08Å; F580-L583 HydrophobicContact CB-CD1 4.06Å; F580-L583 HydrophobicContact CD1-CD1 4.34Å; R581-L583 PolarHBondContact O-N 3.02Å; L583-F585 PolarHBondContact O-N 3.2Å; L583-L586 HydrophobicContact CB-CB 3.92Å; L583-L586 HydrophobicContact CB-CD2 4.37Å; L583-L586 HydrophobicContact CD1-CD2 3.97Å; L583-L586 PolarHBondContact O-N 3.37Å | ||
| 584 | P | 92.6 | Very high | 93.6 | Very high | 39 Ų | 39 | 34 Ų | 34 | 25% | 0.253 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -24.6 | -170.6 | 27.5 | -37.1 | 0 | 0 | 0 | 113.8 | R560 N582 S608 S609 | R560-P584 HydrophobicContact CG-CG 4.15Å; N582-P584 VanDerWaalsContact C-CD 3.46Å; N582-P584 WeakPolarHBondContact O-CD 3.15Å; P584-S608 PolarHBondContact O-OG 3.4Å; P584-S609 WeakPolarHBondContact O-CB 3.25Å; P584-S609 PolarHBondContact O-OG 3.11Å |
| 585 | F | 96.2 | Very high | 94.1 | Very high | 80 Ų | 80 | 31.6 Ų | 31.6 | 35% | 0.351 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 4 | -176.2 | -56.6 | -63.7 | 0 | 0 | 0 | 113.9 | R560 L562 R563 L583 E587 | R560-F585 WeakPolarHBondContact O-CD2 3.36Å; L562-F585 CarbonylContact O-C 3.58Å; R563-F585 WeakPolarHBondContact CA-O 3.23Å; R563-F585 HydrophobicContact CG-CB 4.29Å; L583-F585 PolarHBondContact O-N 3.2Å; F585-E587 PolarHBondContact O-N 3.42Å |
| 586 | L | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -65.2 | 119.6 | -178.7 | -170.3 | 66.7 | 0 | 0 | 0 | 109.8 | L562 I565 F580 L583 V589 L607 S609 I610 | L562-L586 HydrophobicContact CB-CD1 4.49Å; L562-L586 VanDerWaalsContact O-CA 3.24Å; L562-L586 WeakPolarHBondContact O-CA 3.48Å; L562-L586 PolarHBondContact O-N 2.98Å; I565-L586 HydrophobicContact CD1-CD1 3.78Å; I565-L586 HydrophobicContact CD1-CD2 4.31Å; I565-L586 HydrophobicContact CG1-CD1 3.83Å; F580-L586 HydrophobicContact CB-CD2 4.09Å; F580-L586 HydrophobicContact CD1-CD2 4.27Å; F580-L586 HydrophobicContact CG-CD2 4.28Å; L583-L586 HydrophobicContact CB-CB 3.92Å; L583-L586 HydrophobicContact CB-CD2 4.37Å; L583-L586 HydrophobicContact CD1-CD2 3.97Å; L583-L586 PolarHBondContact O-N 3.37Å; L586-V589 HydrophobicContact CD1-CG2 4.25Å; L586-V589 HydrophobicContact CD2-CG2 3.57Å; L586-V589 HydrophobicContact CG-CG2 4.01Å; L586-L607 HydrophobicContact CD2-CD1 4.22Å; L586-L607 HydrophobicContact CD2-CD2 4.13Å; L586-S609 CarbonylContact O-C 3.13Å; L586-S609 WeakPolarHBondContact O-CB 3.34Å; L586-I610 HydrophobicContact CD2-CD1 4.29Å; L586-I610 HydrophobicContact CG-CD1 4.01Å; L586-I610 WeakPolarHBondContact O-CA 3.2Å; L586-I610 PolarHBondContact O-N 3.24Å | ||
| 587 | E | 98.5 | Very high | 94.5 | Very high | 46 Ų | 46 | 38.3 Ų | 38.3 | 22% | 0.215 | 19% | 0.187 | C | C | . | . | trans | -108.4 | -34.6 | -175.8 | -74.6 | 166.9 | -156.2 | 0 | 0 | 111.9 | R563 F585 R611 E612 | R563-E587 IonicContact CZ-OE1 2.81Å; R563-E587 IonicContact NH1-OE1 3.26Å; R563-E587 PolarHBondContact NH1-OE1 2.93Å; R563-E587 WeakPolarHBondContact O-CA 3.38Å; R563-E587 WeakPolarHBondContact O-CB 3.27Å; R563-E587 PolarHBondContact O-N 2.62Å; F585-E587 PolarHBondContact O-N 3.42Å; E587-R611 PolarHBondContact O-N 3.21Å; E587-E612 PolarHBondContact O-N 2.88Å | ||
| 588 | M | 98.3 | Very high | 94.5 | Very high | 57 Ų | 57 | 39 Ų | 39 | 28% | 0.281 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134 | -175.9 | -175.6 | -173.5 | -166.7 | 0 | 0 | 111.9 | R563 S564 I565 E612 | R563-M588 PolarHBondContact O-N 2.99Å; S564-M588 WeakPolarHBondContact CA-O 3.41Å; I565-M588 PolarHBondContact N-O 3.12Å; M588-E612 WeakPolarHBondContact CA-O 3.35Å; M588-E612 WeakPolarHBondContact CE-OE1 3.41Å; M588-E612 HydrophobicContact CG-CB 4.18Å; M588-E612 HydrophobicContact CG-CG 4.48Å |
| 589 | V | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 117.6 | 169.5 | 172.6 | 0 | 0 | 0 | 0 | 109.2 | I565 F580 L586 L591 F604 I610 E612 I613 D614 | I565-V589 WeakPolarHBondContact O-CA 3.24Å; F580-V589 HydrophobicContact CE1-CG1 4.48Å; F580-V589 HydrophobicContact CE1-CG2 4.49Å; F580-V589 HydrophobicContact CE2-CG1 4.27Å; F580-V589 HydrophobicContact CZ-CG1 3.91Å; L586-V589 HydrophobicContact CD1-CG2 4.25Å; L586-V589 HydrophobicContact CD2-CG2 3.57Å; L586-V589 HydrophobicContact CG-CG2 4.01Å; V589-L591 HydrophobicContact CG1-CD1 3.81Å; V589-L591 HydrophobicContact CG1-CD2 4.46Å; V589-L591 HydrophobicContact CG1-CG 3.69Å; V589-F604 HydrophobicContact CG1-CE1 4.19Å; V589-I610 HydrophobicContact CB-CD1 4.4Å; V589-I610 HydrophobicContact CG2-CD1 3.85Å; V589-E612 PolarHBondContact N-O 3.02Å; V589-I613 WeakPolarHBondContact O-CA 3.35Å; V589-D614 PolarHBondContact O-N 3.47Å |
| 590 | N | 97.1 | Very high | 94.7 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 12% | 0.123 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 115.6 | 172.6 | -171.9 | -10.1 | 0 | 0 | 0 | 110.4 | I565 N566 C567 A568 Q592 | I565-N590 PolarHBondContact O-N 2.88Å; N566-N590 HydrophobicContact CB-CB 4.49Å; C567-N590 CarbonylContact C-O 3.57Å; C567-N590 PolarHBondContact N-O 3.1Å; A568-N590 PolarHBondContact N-O 3Å; N590-Q592 WeakPolarHBondContact OD1-CB 3.37Å; N590-Q592 PolarHBondContact OD1-N 3.03Å |
| 591 | L | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -124.5 | 19 | 178.9 | -68 | 176.4 | 0 | 0 | 0 | 111.6 | L549 C567 M572 L575 F580 V589 N594 F596 F604 D614 L615 N618 | L549-L591 HydrophobicContact CD1-CD2 3.79Å; C567-L591 HydrophobicContact CB-CD2 3.93Å; M572-L591 HydrophobicContact SD-CD2 4.4Å; L575-L591 HydrophobicContact CD2-CD1 3.86Å; F580-L591 HydrophobicContact CE2-CD1 4.42Å; F580-L591 HydrophobicContact CZ-CD1 4.26Å; V589-L591 HydrophobicContact CG1-CD1 3.81Å; V589-L591 HydrophobicContact CG1-CD2 4.46Å; V589-L591 HydrophobicContact CG1-CG 3.69Å; L591-N594 PolarHBondContact O-ND2 3.45Å; L591-F596 HydrophobicContact CB-CE2 4.11Å; L591-F596 HydrophobicContact CD1-CE2 4.34Å; L591-F596 HydrophobicContact CD2-CE2 4.43Å; L591-F604 HydrophobicContact CD1-CZ 4.05Å; L591-D614 CarbonylContact C-O 3.44Å; L591-D614 WeakPolarHBondContact CA-O 3.18Å; L591-D614 PolarHBondContact N-O 2.94Å; L591-L615 HydrophobicContact CB-CD2 3.93Å; L591-L615 HydrophobicContact CD1-CD2 3.94Å; L591-N618 PolarHBondContact O-ND2 3.25Å | ||
| 592 | Q | 95.3 | Very high | 94.8 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 148.4 | 179.2 | 173.9 | 176.5 | 54.8 | 0 | 0 | 111.8 | A568 F569 N590 N594 D614 S616 R617 | A568-Q592 CarbonylContact C-O 3.59Å; A568-Q592 WeakPolarHBondContact CA-O 3.28Å; A568-Q592 HydrophobicContact CB-CB 4.22Å; F569-Q592 HydrophobicContact CE1-CG 4.46Å; F569-Q592 HydrophobicContact CE2-CG 4.14Å; F569-Q592 HydrophobicContact CZ-CG 3.87Å; F569-Q592 PolarHBondContact N-O 3.16Å; N590-Q592 WeakPolarHBondContact OD1-CB 3.37Å; N590-Q592 PolarHBondContact OD1-N 3.03Å; Q592-N594 VanDerWaalsContact C-N 3.33Å; Q592-N594 PolarHBondContact O-N 3.02Å; Q592-N594 PolarHBondContact O-ND2 3.06Å; Q592-D614 PolarHBondContact N-O 3.41Å; Q592-S616 CarbonylContact C-O 3.45Å; Q592-S616 WeakPolarHBondContact CA-O 3.31Å; Q592-S616 WeakPolarHBondContact CG-O 3.31Å; Q592-S616 WeakPolarHBondContact CG-OG 3.35Å; Q592-S616 PolarHBondContact NE2-OG 3.37Å; Q592-R617 HydrophobicContact CG-CB 4.3Å |
| 593 | G | 94 | Very high | 95 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 17% | 0.165 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 23.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F569 S616 R617 | F569-G593 WeakPolarHBondContact CA-O 3.1Å; G593-S616 PolarHBondContact N-O 3.26Å; G593-R617 CarbonylContact C-O 3.56Å; G593-R617 WeakPolarHBondContact CA-O 3.39Å; G593-R617 PolarHBondContact N-O 2.96Å |
| 594 | N | 95.4 | Very high | 95 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.032 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -97.3 | -167.5 | 174.9 | -80.6 | -76.2 | 0 | 0 | 0 | 110.7 | C567 N570 M572 L591 Q592 F596 N618 | C567-N594 PolarHBondContact O-ND2 3.05Å; N570-N594 VanDerWaalsContact CA-OD1 3.26Å; N570-N594 WeakPolarHBondContact CA-OD1 3.41Å; N570-N594 WeakPolarHBondContact CB-OD1 3.47Å; N570-N594 PolarHBondContact N-OD1 3.19Å; N570-N594 PolarHBondContact O-OD1 2.87Å; M572-N594 HydrophobicContact CB-CB 4.1Å; M572-N594 WeakPolarHBondContact CB-OD1 3.37Å; M572-N594 VanDerWaalsContact CG-OD1 3.31Å; M572-N594 WeakPolarHBondContact CG-OD1 3.42Å; M572-N594 PolarHBondContact N-OD1 3.02Å; M572-N594 VanDerWaalsContact N-OD1 3.11Å; L591-N594 PolarHBondContact O-ND2 3.45Å; Q592-N594 VanDerWaalsContact C-N 3.33Å; Q592-N594 PolarHBondContact O-N 3.02Å; Q592-N594 PolarHBondContact O-ND2 3.06Å; N594-F596 HydrophobicContact CB-CD2 3.84Å; N594-F596 HydrophobicContact CB-CE2 3.71Å; N594-F596 HydrophobicContact CB-CZ 4.38Å; N594-N618 WeakPolarHBondContact CA-OD1 3.18Å; N594-N618 WeakPolarHBondContact CB-OD1 3.24Å; N594-N618 PolarHBondContact N-OD1 2.91Å; N594-N618 PolarHBondContact O-OD1 3.36Å; N594-N618 VanDerWaalsContact O-OD1 3.13Å |
| 595 | N | 95.6 | Very high | 95.1 | Very high | 46 Ų | 46 | 39.1 Ų | 39.1 | 25% | 0.246 | 18% | 0.183 | C | C | . | . | trans | -115.6 | 29.3 | -178.8 | -65.1 | 94.9 | 0 | 0 | 0 | 112.1 | M572 Q573 R597 N618 E619 | M572-N595 CarbonylContact O-C 3.53Å; M572-N595 WeakPolarHBondContact O-CA 3.41Å; M572-N595 WeakPolarHBondContact O-CB 3.49Å; M572-N595 PolarHBondContact O-N 3.1Å; Q573-N595 HydrophobicContact CG-CB 3.81Å; N595-R597 PolarHBondContact O-N 3.5Å; N595-N618 PolarHBondContact N-OD1 3.09Å; N595-E619 PolarHBondContact ND2-OE1 3.2Å | ||
| 596 | F | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -65.4 | 128.4 | 178.5 | -63.1 | -56 | 0 | 0 | 0 | 110.3 | M572 L575 L591 N594 N618 E619 I620 | M572-F596 HydrophobicContact CB-CD1 4.4Å; M572-F596 HydrophobicContact CB-CE1 3.49Å; M572-F596 VanDerWaalsContact CB-CE1 3.49Å; M572-F596 HydrophobicContact CB-CE2 4.13Å; M572-F596 HydrophobicContact CB-CZ 3.34Å; M572-F596 HydrophobicContact CG-CZ 4.17Å; M572-F596 PolarHBondContact O-N 3Å; M572-F596 HydrophobicContact SD-CE2 4.48Å; M572-F596 HydrophobicContact SD-CZ 3.76Å; L575-F596 HydrophobicContact CB-CD1 4.01Å; L575-F596 HydrophobicContact CB-CE1 3.58Å; L575-F596 HydrophobicContact CB-CZ 4.06Å; L591-F596 HydrophobicContact CB-CE2 4.11Å; L591-F596 HydrophobicContact CD1-CE2 4.34Å; L591-F596 HydrophobicContact CD2-CE2 4.43Å; N594-F596 HydrophobicContact CB-CD2 3.84Å; N594-F596 HydrophobicContact CB-CE2 3.71Å; N594-F596 HydrophobicContact CB-CZ 4.38Å; F596-N618 HydrophobicContact CB-CB 4.31Å; F596-N618 WeakPolarHBondContact CD2-OD1 3.18Å; F596-N618 PolarHBondContact N-OD1 3.04Å; F596-N618 VanDerWaalsContact N-OD1 3.17Å; F596-E619 CarbonylContact O-C 3.14Å; F596-E619 VanDerWaalsContact O-CA 3.25Å; F596-E619 WeakPolarHBondContact O-CA 2.98Å; F596-E619 PolarHBondContact O-N 3.47Å; F596-I620 HydrophobicContact CB-CD1 4.38Å; F596-I620 HydrophobicContact CB-CG1 3.97Å; F596-I620 WeakPolarHBondContact O-CG1 3.41Å; F596-I620 PolarHBondContact O-N 3.33Å | ||
| 597 | R | 94.6 | Very high | 94.8 | Very high | 151 Ų | 151 | 40 Ų | 40 | 57% | 0.57 | 19% | 0.191 | S | C | * | . | trans | -101.2 | -35.7 | 173.4 | -67.8 | -175.6 | 178.2 | 171.2 | 1.5 | 113.1 | N595 E619 I620 D621 | N595-R597 PolarHBondContact O-N 3.5Å; R597-E619 WeakPolarHBondContact CA-O 3.3Å; R597-E619 HydrophobicContact CG-CB 4.05Å; R597-E619 IonicContact NE-OE2 3.57Å; R597-I620 CarbonylContact O-C 3.58Å; R597-I620 WeakPolarHBondContact O-CA 3.12Å; R597-D621 PolarHBondContact O-N 3.01Å | ||
| 598 | N | 92.2 | Very high | 94.6 | Very high | 66 Ų | 66 | 40.2 Ų | 40.2 | 35% | 0.353 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144 | -177.8 | -63.3 | -46.8 | 0 | 0 | 0 | 111.1 | D621 V622 | N598-D621 PolarHBondContact OD1-OD1 3.38Å; N598-V622 WeakPolarHBondContact CA-O 3.4Å; N598-V622 WeakPolarHBondContact OD1-CB 3.15Å |
| 599 | L | 93.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 114 | 164 | -66.1 | -178 | 0 | 0 | 0 | 109.6 | L575 T603 L615 I620 V622 I623 S624 A627 F628 | L575-L599 HydrophobicContact CD2-CD2 4.16Å; L599-T603 HydrophobicContact CD2-CG2 4.5Å; L599-L615 HydrophobicContact CD1-CD1 3.85Å; L599-L615 HydrophobicContact CD2-CD2 4.4Å; L599-I620 HydrophobicContact CD1-CD1 4.14Å; L599-I620 HydrophobicContact CD2-CD1 4.33Å; L599-I620 HydrophobicContact CG-CD1 4.1Å; L599-I620 HydrophobicContact CG-CG2 4.3Å; L599-V622 PolarHBondContact N-O 3.18Å; L599-I623 HydrophobicContact CB-CB 4.36Å; L599-I623 HydrophobicContact CB-CG1 4.25Å; L599-I623 HydrophobicContact CB-CG2 3.91Å; L599-I623 HydrophobicContact CD1-CD1 4.15Å; L599-I623 HydrophobicContact CD1-CG1 4Å; L599-I623 HydrophobicContact CD1-CG2 4.19Å; L599-I623 HydrophobicContact CG-CG1 4.36Å; L599-S624 WeakPolarHBondContact O-CB 3.47Å; L599-S624 PolarHBondContact O-N 3.22Å; L599-A627 HydrophobicContact CB-CB 4.25Å; L599-F628 HydrophobicContact CD1-CZ 4.18Å |
| 600 | H | 91.4 | Very high | 94.5 | Very high | 76 Ų | 76 | 38.3 Ų | 38.3 | 35% | 0.352 | 19% | 0.19 | S | C | . | . | trans | -81.4 | 167.9 | -175.6 | -65.5 | -69.2 | 0 | 0 | 0 | 112.8 | P577 Y602 T603 A627 | P577-H600 HydrophobicContact CG-CB 4.33Å; H600-Y602 PolarHBondContact O-N 3.29Å; H600-T603 PolarHBondContact N-OG1 2.95Å; H600-T603 PolarHBondContact O-N 2.63Å; H600-T603 PolarHBondContact O-OG1 2.86Å; H600-A627 WeakPolarHBondContact O-CA 3.38Å | ||
| 601 | M | 91.8 | Very high | 94.6 | Very high | 77 Ų | 77 | 43.1 Ų | 43.1 | 38% | 0.379 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 138.6 | 173.6 | -65 | -175.1 | 176.1 | 0 | 0 | 110.7 | P577 T603 S624 E625 A626 | P577-M601 WeakPolarHBondContact CB-O 3.29Å; P577-M601 WeakPolarHBondContact CG-O 3.43Å; M601-T603 PolarHBondContact O-N 3.16Å; M601-S624 WeakPolarHBondContact CG-OG 3.45Å; M601-E625 HydrophobicContact CE-CG 4.01Å; M601-E625 WeakPolarHBondContact CE-OE1 3.34Å; M601-A626 HydrophobicContact CB-CB 4.24Å; M601-A626 HydrophobicContact CG-CB 4.19Å |
| 602 | Y | 92.9 | Very high | 94.6 | Very high | 106 Ų | 106 | 46.3 Ų | 46.3 | 42% | 0.416 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 23.5 | 176.4 | -44 | -60.3 | 0 | 0 | 0 | 114.9 | K578 H600 I605 A626 V629 | K578-Y602 PolarHBondContact N-O 3.29Å; H600-Y602 PolarHBondContact O-N 3.29Å; Y602-I605 HydrophobicContact CD1-CD1 3.75Å; Y602-I605 HydrophobicContact CE1-CD1 4.48Å; Y602-I605 HydrophobicContact CG-CD1 4.26Å; Y602-I605 WeakPolarHBondContact O-CG2 3.24Å; Y602-A626 WeakPolarHBondContact CA-O 3.39Å; Y602-A626 HydrophobicContact CD1-CB 4.24Å; Y602-A626 HydrophobicContact CE1-CB 3.92Å; Y602-A626 PolarHBondContact N-O 2.9Å; Y602-V629 HydrophobicContact CD1-CG2 4.03Å; Y602-V629 HydrophobicContact CE1-CG2 4.26Å |
| 603 | T | 91.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -55.7 | -52.7 | 172.2 | -70.9 | 0 | 0 | 0 | 0 | 111.5 | L575 L599 H600 M601 | L575-T603 HydrophobicContact CD2-CG2 3.31Å; L575-T603 HydrophobicContact CG-CG2 3.6Å; L599-T603 HydrophobicContact CD2-CG2 4.5Å; H600-T603 PolarHBondContact N-OG1 2.95Å; H600-T603 PolarHBondContact O-N 2.63Å; H600-T603 PolarHBondContact O-OG1 2.86Å; M601-T603 PolarHBondContact O-N 3.16Å |
| 604 | F | 94.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 108.7 | 171.9 | -59 | -80.5 | 0 | 0 | 0 | 109.1 | L575 F580 V589 L591 L607 I613 L615 A627 F628 V629 L631 | L575-F604 HydrophobicContact CD2-CE2 4.42Å; L575-F604 HydrophobicContact CD2-CZ 4.2Å; F580-F604 AromaticContact CD2-CD1 3.83Å; F580-F604 HydrophobicContact CD2-CD1 3.83Å; F580-F604 AromaticContact CD2-CE1 3.71Å; F580-F604 HydrophobicContact CD2-CE1 3.71Å; F580-F604 HydrophobicContact CE2-CD1 4.05Å; F580-F604 AromaticContact CE2-CE1 3.44Å; F580-F604 HydrophobicContact CE2-CE1 3.44Å; F580-F604 VanDerWaalsContact CE2-CE1 3.44Å; F580-F604 HydrophobicContact CE2-CZ 4.18Å; F580-F604 HydrophobicContact CZ-CE1 4.48Å; V589-F604 HydrophobicContact CG1-CE1 4.19Å; L591-F604 HydrophobicContact CD1-CZ 4.05Å; F604-L607 HydrophobicContact CB-CD1 4.38Å; F604-L607 HydrophobicContact CD1-CD1 4.05Å; F604-I613 HydrophobicContact CD1-CD1 3.98Å; F604-I613 HydrophobicContact CD2-CD1 4.43Å; F604-I613 HydrophobicContact CE1-CD1 4.22Å; F604-I613 HydrophobicContact CE1-CG2 4.39Å; F604-I613 HydrophobicContact CE2-CG2 4.37Å; F604-I613 HydrophobicContact CG-CD1 4.09Å; F604-I613 HydrophobicContact CZ-CG2 4.01Å; F604-L615 HydrophobicContact CE2-CD1 4.03Å; F604-L615 HydrophobicContact CZ-CD1 4.4Å; F604-A627 PolarHBondContact N-O 3.3Å; F604-F628 HydrophobicContact CB-CD1 4.12Å; F604-F628 AromaticContact CD2-CD1 3.72Å; F604-F628 HydrophobicContact CD2-CD1 3.72Å; F604-F628 AromaticContact CD2-CE1 3.48Å; F604-F628 HydrophobicContact CD2-CE1 3.48Å; F604-F628 VanDerWaalsContact CD2-CE1 3.48Å; F604-F628 HydrophobicContact CD2-CZ 4.35Å; F604-F628 AromaticContact CE2-CE1 3.89Å; F604-F628 HydrophobicContact CE2-CE1 3.89Å; F604-F628 HydrophobicContact CG-CD1 4.22Å; F604-F628 HydrophobicContact CG-CE1 4.31Å; F604-V629 PolarHBondContact O-N 3.2Å; F604-L631 HydrophobicContact CB-CD1 3.98Å; F604-L631 HydrophobicContact CB-CD2 4.3Å |
| 605 | I | 94.3 | Very high | 95.1 | Very high | 28 Ų | 28 | 44.1 Ų | 44.1 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 134.7 | -176.5 | -177.1 | 171.6 | 0 | 0 | 0 | 111.9 | K578 Y602 L607 V629 | K578-I605 HydrophobicContact CB-CG2 4.42Å; K578-I605 HydrophobicContact CG-CG2 3.57Å; Y602-I605 HydrophobicContact CD1-CD1 3.75Å; Y602-I605 HydrophobicContact CE1-CD1 4.48Å; Y602-I605 HydrophobicContact CG-CD1 4.26Å; Y602-I605 WeakPolarHBondContact O-CG2 3.24Å; I605-L607 VanDerWaalsContact C-N 3.3Å; I605-L607 PolarHBondContact O-N 3.22Å; I605-V629 CarbonylContact C-O 3.21Å; I605-V629 VanDerWaalsContact CA-O 3.25Å; I605-V629 WeakPolarHBondContact CA-O 3.46Å; I605-V629 HydrophobicContact CB-CB 4.32Å; I605-V629 HydrophobicContact CD1-CB 4.42Å; I605-V629 HydrophobicContact CD1-CG1 4.17Å; I605-V629 HydrophobicContact CG1-CB 4Å; I605-V629 HydrophobicContact CG1-CG1 3.97Å |
| 606 | N | 93.5 | Very high | 95.1 | Very high | 97 Ų | 97 | 42.2 Ų | 42.2 | 52% | 0.519 | 20% | 0.197 | S | C | . | . | trans | 57.3 | 34.5 | 173.2 | -65 | -24.3 | 0 | 0 | 0 | 114.5 | S608 V629 N630 | N606-S608 PolarHBondContact O-N 3.14Å; N606-V629 PolarHBondContact N-O 3.02Å; N606-N630 WeakPolarHBondContact CA-O 3.07Å; N606-N630 VanDerWaalsContact OD1-CB 3.25Å; N606-N630 WeakPolarHBondContact OD1-CB 3.43Å; N606-N630 PolarHBondContact OD1-ND2 3.13Å | ||
| 607 | L | 95.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | trans | -87.7 | 87 | 175.8 | -56.5 | 173.9 | 0 | 0 | 0 | 109.8 | F580 L586 F604 I605 S609 I610 N630 L631 | F580-L607 HydrophobicContact CB-CD1 4.38Å; F580-L607 HydrophobicContact CB-CD2 4.04Å; F580-L607 VanDerWaalsContact O-CD2 3.3Å; F580-L607 WeakPolarHBondContact O-CD2 2.95Å; L586-L607 HydrophobicContact CD2-CD1 4.22Å; L586-L607 HydrophobicContact CD2-CD2 4.13Å; F604-L607 HydrophobicContact CB-CD1 4.38Å; F604-L607 HydrophobicContact CD1-CD1 4.05Å; I605-L607 VanDerWaalsContact C-N 3.3Å; I605-L607 PolarHBondContact O-N 3.22Å; L607-S609 PolarHBondContact O-N 3.31Å; L607-S609 VanDerWaalsContact O-N 3.08Å; L607-I610 HydrophobicContact CB-CB 3.83Å; L607-I610 HydrophobicContact CB-CG2 3.8Å; L607-I610 HydrophobicContact CD1-CB 4.37Å; L607-I610 HydrophobicContact CD1-CD1 4.47Å; L607-I610 HydrophobicContact CD1-CG1 4.46Å; L607-I610 WeakPolarHBondContact O-CG2 3.4Å; L607-I610 PolarHBondContact O-N 3.1Å; L607-N630 PolarHBondContact N-O 2.89Å; L607-L631 HydrophobicContact CB-CD2 3.76Å; L607-L631 HydrophobicContact CD1-CD2 4.24Å; L607-L631 HydrophobicContact CG-CD2 4.09Å | ||
| 608 | S | 93.5 | Very high | 95.2 | Very high | 50 Ų | 50 | 41.1 Ų | 41.1 | 35% | 0.35 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15.6 | -171.8 | 54.5 | 0 | 0 | 0 | 0 | 115.6 | P584 N606 R633 | P584-S608 PolarHBondContact O-OG 3.4Å; N606-S608 PolarHBondContact O-N 3.14Å; S608-R633 WeakPolarHBondContact O-CD 3.34Å; S608-R633 PolarHBondContact O-NH1 3.41Å |
| 609 | S | 97 | Very high | 95.4 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 12% | 0.119 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -3.8 | -177.3 | -60.5 | 0 | 0 | 0 | 0 | 114.3 | P584 L586 L607 R611 | P584-S609 WeakPolarHBondContact O-CB 3.25Å; P584-S609 PolarHBondContact O-OG 3.11Å; L586-S609 CarbonylContact O-C 3.13Å; L586-S609 WeakPolarHBondContact O-CB 3.34Å; L607-S609 PolarHBondContact O-N 3.31Å; L607-S609 VanDerWaalsContact O-N 3.08Å; S609-R611 PolarHBondContact O-N 3.23Å |
| 610 | I | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -64.5 | 132.6 | -173.4 | -164 | 77 | 0 | 0 | 0 | 109.6 | L586 V589 L607 I613 L631 R633 L634 | L586-I610 HydrophobicContact CD2-CD1 4.29Å; L586-I610 HydrophobicContact CG-CD1 4.01Å; L586-I610 WeakPolarHBondContact O-CA 3.2Å; L586-I610 PolarHBondContact O-N 3.24Å; V589-I610 HydrophobicContact CB-CD1 4.4Å; V589-I610 HydrophobicContact CG2-CD1 3.85Å; L607-I610 HydrophobicContact CB-CB 3.83Å; L607-I610 HydrophobicContact CB-CG2 3.8Å; L607-I610 HydrophobicContact CD1-CB 4.37Å; L607-I610 HydrophobicContact CD1-CD1 4.47Å; L607-I610 HydrophobicContact CD1-CG1 4.46Å; L607-I610 WeakPolarHBondContact O-CG2 3.4Å; L607-I610 PolarHBondContact O-N 3.1Å; I610-I613 HydrophobicContact CD1-CG1 4.24Å; I610-I613 HydrophobicContact CG1-CD1 4.08Å; I610-I613 HydrophobicContact CG1-CG1 3.79Å; I610-L631 HydrophobicContact CG2-CB 3.85Å; I610-L631 HydrophobicContact CG2-CD1 4.46Å; I610-L631 HydrophobicContact CG2-CD2 4.05Å; I610-L631 HydrophobicContact CG2-CG 4.33Å; I610-R633 CarbonylContact O-C 3.46Å; I610-R633 WeakPolarHBondContact O-CB 3.13Å; I610-R633 VanDerWaalsContact O-O 3.06Å; I610-L634 HydrophobicContact CG1-CD1 4.22Å; I610-L634 HydrophobicContact CG2-CB 4.27Å; I610-L634 HydrophobicContact CG2-CD1 4.26Å; I610-L634 VanDerWaalsContact O-CA 3.29Å; I610-L634 WeakPolarHBondContact O-CA 3.24Å; I610-L634 PolarHBondContact O-N 3.29Å | ||
| 611 | R | 98.4 | Very high | 95.8 | Very high | 124 Ų | 124 | 39.6 Ų | 39.6 | 47% | 0.468 | 19% | 0.186 | S | C | . | . | trans | -118.3 | -34.2 | 178.8 | -61.3 | -173.5 | -170.5 | 177.4 | 2.9 | 111.8 | E587 S609 Q635 Y636 | E587-R611 PolarHBondContact O-N 3.21Å; S609-R611 PolarHBondContact O-N 3.23Å; R611-Q635 PolarHBondContact O-N 2.98Å; R611-Y636 PolarHBondContact O-N 2.94Å | ||
| 612 | E | 98.5 | Very high | 95.9 | Very high | 67 Ų | 67 | 40 Ų | 40 | 31% | 0.313 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 129.5 | -174.1 | -169.7 | 177.3 | 160.1 | 0 | 0 | 111.6 | E587 M588 V589 Y636 | E587-E612 PolarHBondContact O-N 2.88Å; M588-E612 WeakPolarHBondContact CA-O 3.35Å; M588-E612 WeakPolarHBondContact CE-OE1 3.41Å; M588-E612 HydrophobicContact CG-CB 4.18Å; M588-E612 HydrophobicContact CG-CG 4.48Å; V589-E612 PolarHBondContact N-O 3.02Å; E612-Y636 WeakPolarHBondContact CA-O 3.16Å; E612-Y636 HydrophobicContact CG-CD1 3.62Å; E612-Y636 HydrophobicContact CG-CE1 4.43Å; E612-Y636 HydrophobicContact CG-CG 4.22Å |
| 613 | I | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 121.8 | 169.6 | -62.7 | 172.5 | 0 | 0 | 0 | 108.2 | V589 F604 I610 L615 F628 L631 L634 Y636 L637 S638 | V589-I613 WeakPolarHBondContact O-CA 3.35Å; F604-I613 HydrophobicContact CD1-CD1 3.98Å; F604-I613 HydrophobicContact CD2-CD1 4.43Å; F604-I613 HydrophobicContact CE1-CD1 4.22Å; F604-I613 HydrophobicContact CE1-CG2 4.39Å; F604-I613 HydrophobicContact CE2-CG2 4.37Å; F604-I613 HydrophobicContact CG-CD1 4.09Å; F604-I613 HydrophobicContact CZ-CG2 4.01Å; I610-I613 HydrophobicContact CD1-CG1 4.24Å; I610-I613 HydrophobicContact CG1-CD1 4.08Å; I610-I613 HydrophobicContact CG1-CG1 3.79Å; I613-L615 HydrophobicContact CG2-CD1 3.75Å; I613-L615 HydrophobicContact CG2-CG 3.95Å; I613-F628 HydrophobicContact CD1-CD1 4.37Å; I613-F628 HydrophobicContact CD1-CE1 4.22Å; I613-L631 HydrophobicContact CD1-CD1 4.19Å; I613-L634 HydrophobicContact CB-CD1 4.27Å; I613-L634 HydrophobicContact CD1-CD1 3.81Å; I613-L634 HydrophobicContact CD1-CD2 4.21Å; I613-L634 HydrophobicContact CG1-CD1 3.73Å; I613-Y636 PolarHBondContact N-O 3.03Å; I613-L637 HydrophobicContact CB-CD1 3.88Å; I613-L637 HydrophobicContact CG2-CD1 3.88Å; I613-L637 WeakPolarHBondContact O-CA 3.38Å; I613-S638 PolarHBondContact O-N 2.93Å |
| 614 | D | 97.9 | Very high | 96.1 | Very high | 17 Ų | 17 | 37 Ų | 37 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 116 | 172.2 | -169.8 | -7.8 | 0 | 0 | 0 | 110.3 | V589 L591 Q592 S616 | V589-D614 PolarHBondContact O-N 3.47Å; L591-D614 CarbonylContact C-O 3.44Å; L591-D614 WeakPolarHBondContact CA-O 3.18Å; L591-D614 PolarHBondContact N-O 2.94Å; Q592-D614 PolarHBondContact N-O 3.41Å; D614-S616 WeakPolarHBondContact OD1-CB 3.42Å; D614-S616 PolarHBondContact OD1-N 3.04Å; D614-S616 PolarHBondContact OD1-OG 2.87Å; D614-S616 PolarHBondContact OD2-OG 3.2Å |
| 615 | L | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -118.6 | 16.6 | 175.7 | -73 | 156.2 | 0 | 0 | 0 | 111.1 | L591 L599 F604 I613 N618 I620 F628 L637 S638 L639 N642 | L591-L615 HydrophobicContact CB-CD2 3.93Å; L591-L615 HydrophobicContact CD1-CD2 3.94Å; L599-L615 HydrophobicContact CD1-CD1 3.85Å; L599-L615 HydrophobicContact CD2-CD2 4.4Å; F604-L615 HydrophobicContact CE2-CD1 4.03Å; F604-L615 HydrophobicContact CZ-CD1 4.4Å; I613-L615 HydrophobicContact CG2-CD1 3.75Å; I613-L615 HydrophobicContact CG2-CG 3.95Å; L615-N618 PolarHBondContact O-ND2 3.03Å; L615-I620 HydrophobicContact CB-CD1 4.22Å; L615-I620 HydrophobicContact CD2-CD1 4.4Å; L615-F628 HydrophobicContact CD1-CE1 4.45Å; L615-F628 HydrophobicContact CD1-CZ 4.16Å; L615-L637 HydrophobicContact CD1-CD1 4.42Å; L615-S638 WeakPolarHBondContact CA-O 3.4Å; L615-S638 WeakPolarHBondContact CB-O 3.48Å; L615-S638 PolarHBondContact N-O 2.98Å; L615-L639 HydrophobicContact CB-CD2 3.88Å; L615-L639 HydrophobicContact CD1-CD2 4.06Å; L615-N642 PolarHBondContact O-ND2 3.49Å | ||
| 616 | S | 96.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | trans | -64.4 | 158 | -176.6 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | Q592 G593 D614 N618 R640 | Q592-S616 CarbonylContact C-O 3.45Å; Q592-S616 WeakPolarHBondContact CA-O 3.31Å; Q592-S616 WeakPolarHBondContact CG-O 3.31Å; Q592-S616 WeakPolarHBondContact CG-OG 3.35Å; Q592-S616 PolarHBondContact NE2-OG 3.37Å; G593-S616 PolarHBondContact N-O 3.26Å; D614-S616 WeakPolarHBondContact OD1-CB 3.42Å; D614-S616 PolarHBondContact OD1-N 3.04Å; D614-S616 PolarHBondContact OD1-OG 2.87Å; D614-S616 PolarHBondContact OD2-OG 3.2Å; S616-N618 VanDerWaalsContact C-N 3.3Å; S616-N618 PolarHBondContact O-N 2.63Å; S616-N618 PolarHBondContact O-ND2 3.13Å; S616-R640 CarbonylContact C-O 3.19Å; S616-R640 WeakPolarHBondContact CA-O 3.33Å; S616-R640 VanDerWaalsContact CB-O 3.27Å; S616-R640 WeakPolarHBondContact CB-O 3.13Å | ||
| 617 | R | 96.4 | Very high | 95.8 | Very high | 119 Ų | 119 | 36 Ų | 36 | 45% | 0.449 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 56.1 | 42.6 | 177.7 | -57 | 177.8 | 173.5 | -84.6 | 2.9 | 112.9 | Q592 G593 R640 Y641 | Q592-R617 HydrophobicContact CG-CB 4.3Å; G593-R617 CarbonylContact C-O 3.56Å; G593-R617 WeakPolarHBondContact CA-O 3.39Å; G593-R617 PolarHBondContact N-O 2.96Å; R617-R640 PolarHBondContact N-O 2.62Å; R617-Y641 VanDerWaalsContact CA-O 3.23Å; R617-Y641 WeakPolarHBondContact CA-O 3.35Å; R617-Y641 HydrophobicContact CG-CD2 3.9Å; R617-Y641 HydrophobicContact CG-CG 4.25Å; R617-Y641 PolarHBondContact N-O 2.84Å |
| 618 | N | 96.7 | Very high | 95.8 | Very high | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.053 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -107.9 | -166.7 | 169 | -83.2 | -83.3 | 0 | 0 | 0 | 109.4 | L591 N594 N595 F596 L615 S616 I620 Y641 N642 | L591-N618 PolarHBondContact O-ND2 3.25Å; N594-N618 WeakPolarHBondContact CA-OD1 3.18Å; N594-N618 WeakPolarHBondContact CB-OD1 3.24Å; N594-N618 PolarHBondContact N-OD1 2.91Å; N594-N618 PolarHBondContact O-OD1 3.36Å; N594-N618 VanDerWaalsContact O-OD1 3.13Å; N595-N618 PolarHBondContact N-OD1 3.09Å; F596-N618 HydrophobicContact CB-CB 4.31Å; F596-N618 WeakPolarHBondContact CD2-OD1 3.18Å; F596-N618 PolarHBondContact N-OD1 3.04Å; F596-N618 VanDerWaalsContact N-OD1 3.17Å; L615-N618 PolarHBondContact O-ND2 3.03Å; S616-N618 VanDerWaalsContact C-N 3.3Å; S616-N618 PolarHBondContact O-N 2.63Å; S616-N618 PolarHBondContact O-ND2 3.13Å; N618-I620 HydrophobicContact CB-CD1 4.02Å; N618-I620 HydrophobicContact CB-CG1 3.87Å; N618-Y641 PolarHBondContact N-O 3.11Å; N618-Y641 VanDerWaalsContact O-O 3.11Å; N618-N642 VanDerWaalsContact CA-OD1 3.29Å; N618-N642 WeakPolarHBondContact CA-OD1 3.27Å; N618-N642 WeakPolarHBondContact CB-OD1 3.37Å; N618-N642 PolarHBondContact N-OD1 3.29Å; N618-N642 PolarHBondContact O-OD1 3.45Å |
| 619 | E | 96.3 | Very high | 95.9 | Very high | 47 Ų | 47 | 34.6 Ų | 34.6 | 22% | 0.22 | 17% | 0.169 | C | C | . | . | trans | -113.3 | 27.9 | 176 | -64.7 | -170 | -142.8 | 0 | 0 | 112.1 | N595 F596 R597 D621 N642 K643 | N595-E619 PolarHBondContact ND2-OE1 3.2Å; F596-E619 CarbonylContact O-C 3.14Å; F596-E619 VanDerWaalsContact O-CA 3.25Å; F596-E619 WeakPolarHBondContact O-CA 2.98Å; F596-E619 PolarHBondContact O-N 3.47Å; R597-E619 WeakPolarHBondContact CA-O 3.3Å; R597-E619 HydrophobicContact CG-CB 4.05Å; R597-E619 IonicContact NE-OE2 3.57Å; E619-D621 PolarHBondContact O-N 3.44Å; E619-N642 PolarHBondContact N-OD1 3.18Å; E619-K643 HydrophobicContact CB-CD 4.27Å; E619-K643 IonicContact OE2-NZ 3.58Å; E619-K643 PolarHBondContact OE2-NZ 3.19Å | ||
| 620 | I | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -69.7 | 118.6 | -167.6 | -57.2 | 165.8 | 0 | 0 | 0 | 109.9 | F596 R597 L599 L615 N618 I623 L639 N642 K643 L644 | F596-I620 HydrophobicContact CB-CD1 4.38Å; F596-I620 HydrophobicContact CB-CG1 3.97Å; F596-I620 WeakPolarHBondContact O-CG1 3.41Å; F596-I620 PolarHBondContact O-N 3.33Å; R597-I620 CarbonylContact O-C 3.58Å; R597-I620 WeakPolarHBondContact O-CA 3.12Å; L599-I620 HydrophobicContact CD1-CD1 4.14Å; L599-I620 HydrophobicContact CD2-CD1 4.33Å; L599-I620 HydrophobicContact CG-CD1 4.1Å; L599-I620 HydrophobicContact CG-CG2 4.3Å; L615-I620 HydrophobicContact CB-CD1 4.22Å; L615-I620 HydrophobicContact CD2-CD1 4.4Å; N618-I620 HydrophobicContact CB-CD1 4.02Å; N618-I620 HydrophobicContact CB-CG1 3.87Å; I620-I623 HydrophobicContact CG2-CD1 4.34Å; I620-I623 HydrophobicContact CG2-CG1 3.75Å; I620-L639 HydrophobicContact CD1-CD2 4.18Å; I620-N642 HydrophobicContact CB-CB 4.22Å; I620-N642 VanDerWaalsContact CB-OD1 3.29Å; I620-N642 WeakPolarHBondContact CB-OD1 3.41Å; I620-N642 VanDerWaalsContact CG1-OD1 3.31Å; I620-N642 WeakPolarHBondContact CG1-OD1 3.41Å; I620-N642 PolarHBondContact N-OD1 3.43Å; I620-K643 CarbonylContact O-C 3.12Å; I620-K643 VanDerWaalsContact O-CA 3.3Å; I620-K643 WeakPolarHBondContact O-CA 3.31Å; I620-K643 PolarHBondContact O-N 3.02Å; I620-L644 HydrophobicContact CG2-CD2 3.89Å; I620-L644 PolarHBondContact O-N 3.13Å; I620-L644 VanDerWaalsContact O-N 3.14Å | ||
| 621 | D | 96 | Very high | 95.6 | Very high | 65 Ų | 65 | 37.3 Ų | 37.3 | 35% | 0.348 | 18% | 0.183 | S | C | . | . | trans | -110.4 | -28.9 | 175.9 | 58.2 | 3.9 | 0 | 0 | 0 | 112.8 | R597 N598 E619 K643 | R597-D621 PolarHBondContact O-N 3.01Å; N598-D621 PolarHBondContact OD1-OD1 3.38Å; E619-D621 PolarHBondContact O-N 3.44Å; D621-K643 HydrophobicContact CB-CB 3.99Å | ||
| 622 | V | 94.2 | Very high | 95.4 | Very high | 85 Ų | 85 | 33.5 Ų | 33.5 | 52% | 0.515 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 130.8 | 177.3 | -174 | 0 | 0 | 0 | 0 | 112.2 | N598 L599 | N598-V622 WeakPolarHBondContact CA-O 3.4Å; N598-V622 WeakPolarHBondContact OD1-CB 3.15Å; L599-V622 PolarHBondContact N-O 3.18Å |
| 623 | I | 95.2 | Very high | 95.3 | Very high | 16 Ų | 16 | 36.6 Ų | 36.6 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 125.4 | 169.4 | -53.4 | 172.9 | 0 | 0 | 0 | 109.3 | L599 I620 A627 F628 L639 L644 I651 | L599-I623 HydrophobicContact CB-CB 4.36Å; L599-I623 HydrophobicContact CB-CG1 4.25Å; L599-I623 HydrophobicContact CB-CG2 3.91Å; L599-I623 HydrophobicContact CD1-CD1 4.15Å; L599-I623 HydrophobicContact CD1-CG1 4Å; L599-I623 HydrophobicContact CD1-CG2 4.19Å; L599-I623 HydrophobicContact CG-CG1 4.36Å; I620-I623 HydrophobicContact CG2-CD1 4.34Å; I620-I623 HydrophobicContact CG2-CG1 3.75Å; I623-A627 HydrophobicContact CG2-CB 3.54Å; I623-F628 HydrophobicContact CG2-CE2 4.21Å; I623-L639 HydrophobicContact CD1-CD1 3.8Å; I623-L639 HydrophobicContact CD1-CD2 3.98Å; I623-L644 HydrophobicContact CD1-CD1 4.04Å; I623-L644 HydrophobicContact CD1-CD2 3.78Å; I623-L644 HydrophobicContact CG1-CD2 3.83Å; I623-I651 HydrophobicContact CB-CD1 3.83Å; I623-I651 HydrophobicContact CD1-CD1 4.11Å; I623-I651 HydrophobicContact CG2-CD1 3.35Å; I623-I651 HydrophobicContact CG2-CG1 4.03Å |
| 624 | S | 92.8 | Very high | 95.2 | Very high | 28 Ų | 28 | 36.6 Ų | 36.6 | 20% | 0.196 | 18% | 0.183 | C | C | . | . | trans | -70.9 | 150.3 | 179 | -168.8 | 0 | 0 | 0 | 0 | 112.7 | L599 M601 A626 A627 | L599-S624 WeakPolarHBondContact O-CB 3.47Å; L599-S624 PolarHBondContact O-N 3.22Å; M601-S624 WeakPolarHBondContact CG-OG 3.45Å; S624-A626 PolarHBondContact O-N 3.21Å; S624-A626 VanDerWaalsContact O-N 3.09Å; S624-A627 VanDerWaalsContact O-CB 3.29Å; S624-A627 WeakPolarHBondContact O-CB 3.24Å; S624-A627 PolarHBondContact O-N 3.01Å | ||
| 625 | E | 89.4 | Confident | 95.2 | Very high | 89 Ų | 89 | 39.3 Ų | 39.3 | 42% | 0.416 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.6 | -177.4 | 69.7 | -165.1 | -172.5 | 0 | 0 | 115.1 | M601 H648 D650 I651 | M601-E625 HydrophobicContact CE-CG 4.01Å; M601-E625 WeakPolarHBondContact CE-OE1 3.34Å; E625-H648 HydrophobicContact CB-CB 4.46Å; E625-H648 WeakPolarHBondContact CB-CE1 3.28Å; E625-H648 WeakPolarHBondContact CB-ND1 3.35Å; E625-H648 IonicContact OE2-CE1 2.76Å; E625-H648 PolarHBondContact OE2-CE1 2.9Å; E625-H648 VanDerWaalsContact OE2-CE1 3.28Å; E625-H648 IonicContact OE2-NE2 3.07Å; E625-H648 PolarHBondContact OE2-NE2 2.99Å; E625-D650 CarbonylContact O-C 3.48Å; E625-I651 WeakPolarHBondContact O-CA 3.34Å |
| 626 | A | 92.5 | Very high | 95.3 | Very high | 15 Ų | 15 | 42.8 Ų | 42.8 | 12% | 0.124 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 25.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M601 Y602 S624 F628 V629 | M601-A626 HydrophobicContact CB-CB 4.24Å; M601-A626 HydrophobicContact CG-CB 4.19Å; Y602-A626 WeakPolarHBondContact CA-O 3.39Å; Y602-A626 HydrophobicContact CD1-CB 4.24Å; Y602-A626 HydrophobicContact CE1-CB 3.92Å; Y602-A626 PolarHBondContact N-O 2.9Å; S624-A626 PolarHBondContact O-N 3.21Å; S624-A626 VanDerWaalsContact O-N 3.09Å; A626-F628 VanDerWaalsContact C-N 3.29Å; A626-F628 PolarHBondContact O-N 3.25Å; A626-V629 HydrophobicContact CB-CG2 3.99Å; A626-V629 VanDerWaalsContact O-CG2 3.3Å; A626-V629 WeakPolarHBondContact O-CG2 3.27Å |
| 627 | A | 94.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -65.1 | -31.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L599 H600 F604 I623 S624 | L599-A627 HydrophobicContact CB-CB 4.25Å; H600-A627 WeakPolarHBondContact O-CA 3.38Å; F604-A627 PolarHBondContact N-O 3.3Å; I623-A627 HydrophobicContact CG2-CB 3.54Å; S624-A627 VanDerWaalsContact O-CB 3.29Å; S624-A627 WeakPolarHBondContact O-CB 3.24Å; S624-A627 PolarHBondContact O-N 3.01Å |
| 628 | F | 95.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 103 | 178.4 | -55.9 | -83 | 0 | 0 | 0 | 110.6 | L599 F604 I613 L615 I623 A626 L631 L637 I651 F652 V655 | L599-F628 HydrophobicContact CD1-CZ 4.18Å; F604-F628 HydrophobicContact CB-CD1 4.12Å; F604-F628 AromaticContact CD2-CD1 3.72Å; F604-F628 HydrophobicContact CD2-CD1 3.72Å; F604-F628 AromaticContact CD2-CE1 3.48Å; F604-F628 HydrophobicContact CD2-CE1 3.48Å; F604-F628 VanDerWaalsContact CD2-CE1 3.48Å; F604-F628 HydrophobicContact CD2-CZ 4.35Å; F604-F628 AromaticContact CE2-CE1 3.89Å; F604-F628 HydrophobicContact CE2-CE1 3.89Å; F604-F628 HydrophobicContact CG-CD1 4.22Å; F604-F628 HydrophobicContact CG-CE1 4.31Å; I613-F628 HydrophobicContact CD1-CD1 4.37Å; I613-F628 HydrophobicContact CD1-CE1 4.22Å; L615-F628 HydrophobicContact CD1-CE1 4.45Å; L615-F628 HydrophobicContact CD1-CZ 4.16Å; I623-F628 HydrophobicContact CG2-CE2 4.21Å; A626-F628 VanDerWaalsContact C-N 3.29Å; A626-F628 PolarHBondContact O-N 3.25Å; F628-L631 HydrophobicContact CB-CD1 3.86Å; F628-L631 HydrophobicContact CD1-CD1 3.8Å; F628-L631 HydrophobicContact CG-CD1 4.32Å; F628-L637 HydrophobicContact CE1-CD1 4.2Å; F628-L637 HydrophobicContact CE1-CD2 4.46Å; F628-L637 HydrophobicContact CZ-CD1 4.21Å; F628-L637 HydrophobicContact CZ-CD2 4.18Å; F628-I651 HydrophobicContact CD2-CD1 4.31Å; F628-I651 HydrophobicContact CD2-CG1 3.87Å; F628-I651 HydrophobicContact CE2-CD1 4.17Å; F628-I651 HydrophobicContact CE2-CG1 4.24Å; F628-F652 HydrophobicContact CB-CD1 4.34Å; F628-F652 HydrophobicContact CB-CE1 4.49Å; F628-F652 HydrophobicContact CD2-CD1 4.11Å; F628-F652 AromaticContact CD2-CE1 3.56Å; F628-F652 HydrophobicContact CD2-CE1 3.56Å; F628-F652 AromaticContact CE2-CE1 3.88Å; F628-F652 HydrophobicContact CE2-CE1 3.88Å; F628-F652 HydrophobicContact CE2-CZ 4.48Å; F628-F652 HydrophobicContact CG-CD1 4.4Å; F628-F652 HydrophobicContact CG-CE1 4.05Å; F628-V655 HydrophobicContact CB-CG2 3.96Å |
| 629 | V | 94.9 | Very high | 95.5 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 12% | 0.121 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 127.2 | -174.7 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | Y602 F604 I605 N606 A626 | Y602-V629 HydrophobicContact CD1-CG2 4.03Å; Y602-V629 HydrophobicContact CE1-CG2 4.26Å; F604-V629 PolarHBondContact O-N 3.2Å; I605-V629 CarbonylContact C-O 3.21Å; I605-V629 VanDerWaalsContact CA-O 3.25Å; I605-V629 WeakPolarHBondContact CA-O 3.46Å; I605-V629 HydrophobicContact CB-CB 4.32Å; I605-V629 HydrophobicContact CD1-CB 4.42Å; I605-V629 HydrophobicContact CD1-CG1 4.17Å; I605-V629 HydrophobicContact CG1-CB 4Å; I605-V629 HydrophobicContact CG1-CG1 3.97Å; N606-V629 PolarHBondContact N-O 3.02Å; A626-V629 HydrophobicContact CB-CG2 3.99Å; A626-V629 VanDerWaalsContact O-CG2 3.3Å; A626-V629 WeakPolarHBondContact O-CG2 3.27Å |
| 630 | N | 93.6 | Very high | 95.6 | Very high | 75 Ų | 75 | 38.7 Ų | 38.7 | 40% | 0.401 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 52.4 | 62.5 | 177.7 | -169.5 | 25.2 | 0 | 0 | 0 | 113.2 | N606 L607 P632 | N606-N630 WeakPolarHBondContact CA-O 3.07Å; N606-N630 VanDerWaalsContact OD1-CB 3.25Å; N606-N630 WeakPolarHBondContact OD1-CB 3.43Å; N606-N630 PolarHBondContact OD1-ND2 3.13Å; L607-N630 PolarHBondContact N-O 2.89Å; N630-P632 WeakPolarHBondContact O-CD 3.06Å |
| 631 | L | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -114.1 | 67.9 | 176.4 | -46.7 | -179.6 | 0 | 0 | 0 | 109.1 | F604 L607 I610 I613 F628 R633 L634 H654 V655 | F604-L631 HydrophobicContact CB-CD1 3.98Å; F604-L631 HydrophobicContact CB-CD2 4.3Å; L607-L631 HydrophobicContact CB-CD2 3.76Å; L607-L631 HydrophobicContact CD1-CD2 4.24Å; L607-L631 HydrophobicContact CG-CD2 4.09Å; I610-L631 HydrophobicContact CG2-CB 3.85Å; I610-L631 HydrophobicContact CG2-CD1 4.46Å; I610-L631 HydrophobicContact CG2-CD2 4.05Å; I610-L631 HydrophobicContact CG2-CG 4.33Å; I613-L631 HydrophobicContact CD1-CD1 4.19Å; F628-L631 HydrophobicContact CB-CD1 3.86Å; F628-L631 HydrophobicContact CD1-CD1 3.8Å; F628-L631 HydrophobicContact CG-CD1 4.32Å; L631-R633 PolarHBondContact O-N 3.17Å; L631-L634 HydrophobicContact CB-CB 4.1Å; L631-L634 HydrophobicContact CD1-CD2 4.11Å; L631-L634 PolarHBondContact O-N 3.17Å; L631-H654 PolarHBondContact N-O 2.88Å; L631-H654 VanDerWaalsContact N-O 3.16Å; L631-V655 HydrophobicContact CB-CG2 4.27Å; L631-V655 HydrophobicContact CD1-CG2 4.35Å | ||
| 632 | P | 93.6 | Very high | 95.7 | Very high | 44 Ų | 44 | 39.7 Ų | 39.7 | 29% | 0.286 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -9.7 | -164.5 | 29.3 | -38.1 | 0 | 0 | 0 | 114.5 | N630 K657 | N630-P632 WeakPolarHBondContact O-CD 3.06Å; P632-K657 WeakPolarHBondContact O-CB 3.43Å; P632-K657 WeakPolarHBondContact O-CG 3.42Å |
| 633 | R | 95.8 | Very high | 95.9 | Very high | 132 Ų | 132 | 39.4 Ų | 39.4 | 50% | 0.498 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 3.4 | -178 | -68 | -168 | 174.8 | 119.5 | -7.9 | 114.1 | S608 I610 L631 Q635 | S608-R633 WeakPolarHBondContact O-CD 3.34Å; S608-R633 PolarHBondContact O-NH1 3.41Å; I610-R633 CarbonylContact O-C 3.46Å; I610-R633 WeakPolarHBondContact O-CB 3.13Å; I610-R633 VanDerWaalsContact O-O 3.06Å; L631-R633 PolarHBondContact O-N 3.17Å; R633-Q635 PolarHBondContact O-N 3.36Å |
| 634 | L | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -65 | 121.8 | -178.2 | -175.2 | 69.6 | 0 | 0 | 0 | 109.1 | I610 I613 L631 L637 V655 K657 L658 | I610-L634 HydrophobicContact CG1-CD1 4.22Å; I610-L634 HydrophobicContact CG2-CB 4.27Å; I610-L634 HydrophobicContact CG2-CD1 4.26Å; I610-L634 VanDerWaalsContact O-CA 3.29Å; I610-L634 WeakPolarHBondContact O-CA 3.24Å; I610-L634 PolarHBondContact O-N 3.29Å; I613-L634 HydrophobicContact CB-CD1 4.27Å; I613-L634 HydrophobicContact CD1-CD1 3.81Å; I613-L634 HydrophobicContact CD1-CD2 4.21Å; I613-L634 HydrophobicContact CG1-CD1 3.73Å; L631-L634 HydrophobicContact CB-CB 4.1Å; L631-L634 HydrophobicContact CD1-CD2 4.11Å; L631-L634 PolarHBondContact O-N 3.17Å; L634-L637 HydrophobicContact CD2-CB 4.49Å; L634-V655 HydrophobicContact CB-CG1 4.11Å; L634-V655 HydrophobicContact CD2-CG1 3.87Å; L634-V655 HydrophobicContact CD2-CG2 4.47Å; L634-V655 HydrophobicContact CG-CG1 4.42Å; L634-K657 CarbonylContact O-C 3.12Å; L634-K657 VanDerWaalsContact O-O 3.13Å; L634-L658 HydrophobicContact CD2-CD1 4.2Å; L634-L658 HydrophobicContact CG-CD1 4Å; L634-L658 VanDerWaalsContact O-CA 3.24Å; L634-L658 WeakPolarHBondContact O-CA 3.26Å; L634-L658 PolarHBondContact O-N 3.15Å; L634-L658 VanDerWaalsContact O-N 3.09Å | ||
| 635 | Q | 98.2 | Very high | 96.2 | Very high | 74 Ų | 74 | 40.9 Ų | 40.9 | 35% | 0.346 | 19% | 0.194 | S | C | . | . | trans | -110.7 | -37.9 | -176.3 | -73.1 | 175.3 | -54.6 | 0 | 0 | 111.9 | R611 R633 E659 T660 | R611-Q635 PolarHBondContact O-N 2.98Å; R633-Q635 PolarHBondContact O-N 3.36Å; Q635-E659 HydrophobicContact CG-CG 4.49Å; Q635-E659 PolarHBondContact NE2-OE1 3.33Å; Q635-E659 PolarHBondContact O-N 2.79Å; Q635-T660 PolarHBondContact O-N 2.96Å | ||
| 636 | Y | 98.5 | Very high | 96.3 | Very high | 72 Ų | 72 | 40 Ų | 40 | 28% | 0.282 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.9 | -179.8 | -179.8 | -85.4 | 0 | 0 | 0 | 111.1 | R611 E612 I613 T660 | R611-Y636 PolarHBondContact O-N 2.94Å; E612-Y636 WeakPolarHBondContact CA-O 3.16Å; E612-Y636 HydrophobicContact CG-CD1 3.62Å; E612-Y636 HydrophobicContact CG-CE1 4.43Å; E612-Y636 HydrophobicContact CG-CG 4.22Å; I613-Y636 PolarHBondContact N-O 3.03Å; Y636-T660 HydrophobicContact CD2-CG2 3.79Å; Y636-T660 HydrophobicContact CE2-CG2 3.9Å |
| 637 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 124.6 | 171.4 | 176.1 | 61.5 | 0 | 0 | 0 | 109.8 | I613 L615 F628 L634 L639 F652 L658 T660 L661 D662 | I613-L637 HydrophobicContact CB-CD1 3.88Å; I613-L637 HydrophobicContact CG2-CD1 3.88Å; I613-L637 WeakPolarHBondContact O-CA 3.38Å; L615-L637 HydrophobicContact CD1-CD1 4.42Å; F628-L637 HydrophobicContact CE1-CD1 4.2Å; F628-L637 HydrophobicContact CE1-CD2 4.46Å; F628-L637 HydrophobicContact CZ-CD1 4.21Å; F628-L637 HydrophobicContact CZ-CD2 4.18Å; L634-L637 HydrophobicContact CD2-CB 4.49Å; L637-L639 HydrophobicContact CD2-CD1 4.42Å; L637-F652 HydrophobicContact CD2-CE1 3.51Å; L637-F652 HydrophobicContact CD2-CE2 4.5Å; L637-F652 HydrophobicContact CD2-CZ 3.36Å; L637-L658 HydrophobicContact CB-CD1 3.91Å; L637-T660 PolarHBondContact N-O 3.45Å; L637-L661 HydrophobicContact CB-CD1 4.15Å; L637-L661 HydrophobicContact CD2-CD1 4.05Å; L637-L661 HydrophobicContact CG-CD1 4.1Å; L637-D662 PolarHBondContact O-N 3.02Å |
| 638 | S | 98.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.2 | 170.6 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | I613 L615 R640 | I613-S638 PolarHBondContact O-N 2.93Å; L615-S638 WeakPolarHBondContact CA-O 3.4Å; L615-S638 WeakPolarHBondContact CB-O 3.48Å; L615-S638 PolarHBondContact N-O 2.98Å; S638-R640 WeakPolarHBondContact OG-CB 3.45Å; S638-R640 PolarHBondContact OG-N 2.81Å |
| 639 | L | 98.2 | Very high | 96.1 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | trans | -122.8 | 21.4 | 170.7 | -74.9 | 162.6 | 0 | 0 | 0 | 110.2 | L615 I620 I623 L637 N642 L644 D662 L663 N666 | L615-L639 HydrophobicContact CB-CD2 3.88Å; L615-L639 HydrophobicContact CD1-CD2 4.06Å; I620-L639 HydrophobicContact CD1-CD2 4.18Å; I623-L639 HydrophobicContact CD1-CD1 3.8Å; I623-L639 HydrophobicContact CD1-CD2 3.98Å; L637-L639 HydrophobicContact CD2-CD1 4.42Å; L639-N642 WeakPolarHBondContact O-CB 3.14Å; L639-N642 PolarHBondContact O-ND2 2.81Å; L639-L644 HydrophobicContact CB-CD1 4.19Å; L639-L644 HydrophobicContact CD1-CD1 4.17Å; L639-D662 PolarHBondContact N-O 3.25Å; L639-L663 HydrophobicContact CB-CD2 4.06Å; L639-L663 HydrophobicContact CD1-CD2 3.89Å; L639-N666 PolarHBondContact O-ND2 3.16Å | ||
| 640 | R | 98.2 | Very high | 95.9 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 34% | 0.34 | 25% | 0.247 | S | C | . | . | trans | -59.1 | 147.5 | -177.2 | 174.1 | 173.8 | 176.4 | -172.7 | -0.2 | 112.7 | S616 R617 S638 N642 D662 S664 | S616-R640 CarbonylContact C-O 3.19Å; S616-R640 WeakPolarHBondContact CA-O 3.33Å; S616-R640 VanDerWaalsContact CB-O 3.27Å; S616-R640 WeakPolarHBondContact CB-O 3.13Å; R617-R640 PolarHBondContact N-O 2.62Å; S638-R640 WeakPolarHBondContact OG-CB 3.45Å; S638-R640 PolarHBondContact OG-N 2.81Å; R640-N642 PolarHBondContact O-ND2 3.18Å; R640-D662 WeakPolarHBondContact CB-OD2 3.44Å; R640-D662 WeakPolarHBondContact CD-OD2 3.38Å; R640-S664 CarbonylContact C-O 3.47Å; R640-S664 WeakPolarHBondContact CA-O 3.32Å; R640-S664 VanDerWaalsContact CD-OG 3.24Å; R640-S664 WeakPolarHBondContact CD-OG 3.41Å; R640-S664 WeakPolarHBondContact CG-OG 3.48Å | ||
| 641 | Y | 97.3 | Very high | 95.8 | Very high | 77 Ų | 77 | 45.4 Ų | 45.4 | 30% | 0.302 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 54.6 | 55.8 | 179.3 | -68.2 | -65.7 | 0 | 0 | 0 | 112.3 | R617 N618 S664 A665 | R617-Y641 VanDerWaalsContact CA-O 3.23Å; R617-Y641 WeakPolarHBondContact CA-O 3.35Å; R617-Y641 HydrophobicContact CG-CD2 3.9Å; R617-Y641 HydrophobicContact CG-CG 4.25Å; R617-Y641 PolarHBondContact N-O 2.84Å; N618-Y641 PolarHBondContact N-O 3.11Å; N618-Y641 VanDerWaalsContact O-O 3.11Å; Y641-S664 PolarHBondContact N-O 3.29Å; Y641-A665 WeakPolarHBondContact CA-O 3.09Å; Y641-A665 HydrophobicContact CD1-CB 3.27Å; Y641-A665 HydrophobicContact CE1-CB 3.43Å; Y641-A665 VanDerWaalsContact CE1-CB 3.43Å; Y641-A665 HydrophobicContact CG-CB 3.84Å; Y641-A665 PolarHBondContact N-O 2.82Å |
| 642 | N | 98 | Very high | 95.6 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -122.4 | -165.5 | 171.3 | -84.7 | -72.8 | 0 | 0 | 0 | 109.4 | L615 N618 E619 I620 L639 R640 L644 A665 N666 | L615-N642 PolarHBondContact O-ND2 3.49Å; N618-N642 VanDerWaalsContact CA-OD1 3.29Å; N618-N642 WeakPolarHBondContact CA-OD1 3.27Å; N618-N642 WeakPolarHBondContact CB-OD1 3.37Å; N618-N642 PolarHBondContact N-OD1 3.29Å; N618-N642 PolarHBondContact O-OD1 3.45Å; E619-N642 PolarHBondContact N-OD1 3.18Å; I620-N642 HydrophobicContact CB-CB 4.22Å; I620-N642 VanDerWaalsContact CB-OD1 3.29Å; I620-N642 WeakPolarHBondContact CB-OD1 3.41Å; I620-N642 VanDerWaalsContact CG1-OD1 3.31Å; I620-N642 WeakPolarHBondContact CG1-OD1 3.41Å; I620-N642 PolarHBondContact N-OD1 3.43Å; L639-N642 WeakPolarHBondContact O-CB 3.14Å; L639-N642 PolarHBondContact O-ND2 2.81Å; R640-N642 PolarHBondContact O-ND2 3.18Å; N642-L644 HydrophobicContact CB-CG 4.42Å; N642-A665 PolarHBondContact N-O 2.83Å; N642-N666 WeakPolarHBondContact CA-OD1 3.16Å; N642-N666 WeakPolarHBondContact CB-OD1 3.25Å; N642-N666 PolarHBondContact O-OD1 3.21Å |
| 643 | K | 97.7 | Very high | 95.3 | Very high | 80 Ų | 80 | 45.9 Ų | 45.9 | 35% | 0.348 | 23% | 0.23 | S | C | . | . | trans | -118.6 | 25.1 | -176.9 | -63.2 | 179.5 | -179.2 | 170 | 0 | 112.1 | E619 I620 D621 S645 N666 | E619-K643 HydrophobicContact CB-CD 4.27Å; E619-K643 IonicContact OE2-NZ 3.58Å; E619-K643 PolarHBondContact OE2-NZ 3.19Å; I620-K643 CarbonylContact O-C 3.12Å; I620-K643 VanDerWaalsContact O-CA 3.3Å; I620-K643 WeakPolarHBondContact O-CA 3.31Å; I620-K643 PolarHBondContact O-N 3.02Å; D621-K643 HydrophobicContact CB-CB 3.99Å; K643-S645 PolarHBondContact O-N 3.22Å; K643-N666 PolarHBondContact N-OD1 2.97Å | ||
| 644 | L | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -65.4 | 123.7 | -176.2 | -61.7 | 173.4 | 0 | 0 | 0 | 110.6 | I620 I623 L639 N642 L663 N666 Q667 L668 | I620-L644 HydrophobicContact CG2-CD2 3.89Å; I620-L644 PolarHBondContact O-N 3.13Å; I620-L644 VanDerWaalsContact O-N 3.14Å; I623-L644 HydrophobicContact CD1-CD1 4.04Å; I623-L644 HydrophobicContact CD1-CD2 3.78Å; I623-L644 HydrophobicContact CG1-CD2 3.83Å; L639-L644 HydrophobicContact CB-CD1 4.19Å; L639-L644 HydrophobicContact CD1-CD1 4.17Å; N642-L644 HydrophobicContact CB-CG 4.42Å; L644-L663 HydrophobicContact CD1-CD2 4.24Å; L644-N666 HydrophobicContact CB-CB 4.16Å; L644-N666 WeakPolarHBondContact CB-OD1 3.45Å; L644-N666 WeakPolarHBondContact CG-OD1 3.3Å; L644-N666 PolarHBondContact N-OD1 2.92Å; L644-Q667 CarbonylContact O-C 3.47Å; L644-Q667 VanDerWaalsContact O-CA 3.27Å; L644-Q667 WeakPolarHBondContact O-CA 3.03Å; L644-Q667 WeakPolarHBondContact O-CB 3.22Å; L644-Q667 PolarHBondContact O-N 3.16Å; L644-L668 HydrophobicContact CB-CD2 4.25Å; L644-L668 PolarHBondContact O-N 3.32Å | ||
| 645 | S | 95.9 | Very high | 94.6 | Very high | 73 Ų | 73 | 44.2 Ų | 44.2 | 51% | 0.51 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -103.6 | -24.5 | 174.8 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | K643 | K643-S645 PolarHBondContact O-N 3.22Š|
| 646 | A | 92.7 | Very high | 94.3 | Very high | 70 Ų | 70 | 44.5 Ų | 44.5 | 58% | 0.579 | 23% | 0.231 | S | C | * | . | trans | -148.9 | 163.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 647 | I | 93.7 | Very high | 94.1 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 19% | 0.19 | 23% | 0.234 | C | C | . | . | trans | -127.4 | 133 | 177.6 | -59.4 | 174.8 | 0 | 0 | 0 | 108.6 | I651 L663 L668 F675 | I647-I651 HydrophobicContact CG2-CD1 4.21Å; I647-I651 HydrophobicContact CG2-CG2 3.8Å; I647-L663 HydrophobicContact CD1-CD1 3.72Å; I647-L663 HydrophobicContact CD1-CD2 4Å; I647-L668 HydrophobicContact CD1-CD1 4.28Å; I647-L668 HydrophobicContact CD1-CD2 4.48Å; I647-L668 HydrophobicContact CG1-CD2 4.23Å; I647-F675 HydrophobicContact CB-CD1 4.34Å; I647-F675 HydrophobicContact CB-CE1 4.34Å; I647-F675 HydrophobicContact CD1-CE1 4.07Å; I647-F675 HydrophobicContact CD1-CE2 4.13Å; I647-F675 HydrophobicContact CD1-CZ 3.67Å; I647-F675 HydrophobicContact CG2-CB 4.4Å; I647-F675 HydrophobicContact CG2-CD1 4.02Å; I647-F675 HydrophobicContact CG2-CD2 3.66Å; I647-F675 HydrophobicContact CG2-CE1 4.22Å; I647-F675 HydrophobicContact CG2-CE2 3.85Å; I647-F675 HydrophobicContact CG2-CG 3.76Å; I647-F675 HydrophobicContact CG2-CZ 4.14Å | ||
| 648 | H | 92.9 | Very high | 94.1 | Very high | 64 Ų | 64 | 44.8 Ų | 44.8 | 30% | 0.296 | 23% | 0.234 | S | C | . | . | trans | -68.7 | 135.9 | -179.2 | -166.4 | -90.3 | 0 | 0 | 0 | 112 | E625 D650 I651 F675 | E625-H648 HydrophobicContact CB-CB 4.46Å; E625-H648 WeakPolarHBondContact CB-CE1 3.28Å; E625-H648 WeakPolarHBondContact CB-ND1 3.35Å; E625-H648 IonicContact OE2-CE1 2.76Å; E625-H648 PolarHBondContact OE2-CE1 2.9Å; E625-H648 VanDerWaalsContact OE2-CE1 3.28Å; E625-H648 IonicContact OE2-NE2 3.07Å; E625-H648 PolarHBondContact OE2-NE2 2.99Å; H648-D650 IonicContact CE1-OD2 2.73Å; H648-D650 PolarHBondContact ND1-N 3.48Å; H648-D650 VanDerWaalsContact ND1-N 3.17Å; H648-D650 PolarHBondContact O-N 3.13Å; H648-I651 WeakPolarHBondContact O-CB 3.14Å; H648-I651 VanDerWaalsContact O-CG2 3.31Å; H648-I651 WeakPolarHBondContact O-CG2 3.07Å; H648-I651 PolarHBondContact O-N 3.09Å; H648-F675 WeakPolarHBondContact O-CB 3.44Å | ||
| 649 | P | 90.4 | Very high | 94.1 | Very high | 59 Ų | 59 | 47.2 Ų | 47.2 | 38% | 0.383 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -24.1 | 179.3 | -32.4 | 38.2 | 0 | 0 | 0 | 116.6 | F675 R677 | P649-F675 VanDerWaalsContact O-CA 3.25Å; P649-F675 WeakPolarHBondContact O-CA 3.36Å; P649-R677 PolarHBondContact O-NH1 2.71Å |
| 650 | D | 91.2 | Very high | 94.1 | Very high | 65 Ų | 65 | 49.3 Ų | 49.3 | 35% | 0.348 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 7.6 | -173.3 | -64.2 | -44.5 | 0 | 0 | 0 | 114.9 | E625 H648 F652 V653 R677 | E625-D650 CarbonylContact O-C 3.48Å; H648-D650 IonicContact CE1-OD2 2.73Å; H648-D650 PolarHBondContact ND1-N 3.48Å; H648-D650 VanDerWaalsContact ND1-N 3.17Å; H648-D650 PolarHBondContact O-N 3.13Å; D650-F652 PolarHBondContact O-N 3.33Å; D650-F652 VanDerWaalsContact O-N 3.1Å; D650-V653 HydrophobicContact CB-CG2 3.9Å; D650-V653 VanDerWaalsContact O-CG2 3.3Å; D650-V653 WeakPolarHBondContact O-CG2 3.49Å; D650-V653 PolarHBondContact O-N 3Å; D650-R677 IonicContact OD1-CZ 2.92Å; D650-R677 IonicContact OD1-NH1 3.09Å; D650-R677 PolarHBondContact OD1-NH1 2.84Å; D650-R677 IonicContact OD1-NH2 3.97Å; D650-R677 PolarHBondContact OD1-NH2 2.9Å |
| 651 | I | 91.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -29.6 | -174.1 | -168.3 | 174 | 0 | 0 | 0 | 114.9 | I623 E625 F628 I647 H648 F675 | I623-I651 HydrophobicContact CB-CD1 3.83Å; I623-I651 HydrophobicContact CD1-CD1 4.11Å; I623-I651 HydrophobicContact CG2-CD1 3.35Å; I623-I651 HydrophobicContact CG2-CG1 4.03Å; E625-I651 WeakPolarHBondContact O-CA 3.34Å; F628-I651 HydrophobicContact CD2-CD1 4.31Å; F628-I651 HydrophobicContact CD2-CG1 3.87Å; F628-I651 HydrophobicContact CE2-CD1 4.17Å; F628-I651 HydrophobicContact CE2-CG1 4.24Å; I647-I651 HydrophobicContact CG2-CD1 4.21Å; I647-I651 HydrophobicContact CG2-CG2 3.8Å; H648-I651 WeakPolarHBondContact O-CB 3.14Å; H648-I651 VanDerWaalsContact O-CG2 3.31Å; H648-I651 WeakPolarHBondContact O-CG2 3.07Å; H648-I651 PolarHBondContact O-N 3.09Å; I651-F675 HydrophobicContact CG2-CB 4.06Å; I651-F675 HydrophobicContact CG2-CD2 3.72Å; I651-F675 HydrophobicContact CG2-CG 4.25Å |
| 652 | F | 92.2 | Very high | 94.2 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 23.4 | -174.9 | -64 | -43.6 | 0 | 0 | 0 | 114 | F628 L637 D650 H654 V655 L661 F675 L676 I679 | F628-F652 HydrophobicContact CB-CD1 4.34Å; F628-F652 HydrophobicContact CB-CE1 4.49Å; F628-F652 HydrophobicContact CD2-CD1 4.11Å; F628-F652 AromaticContact CD2-CE1 3.56Å; F628-F652 HydrophobicContact CD2-CE1 3.56Å; F628-F652 AromaticContact CE2-CE1 3.88Å; F628-F652 HydrophobicContact CE2-CE1 3.88Å; F628-F652 HydrophobicContact CE2-CZ 4.48Å; F628-F652 HydrophobicContact CG-CD1 4.4Å; F628-F652 HydrophobicContact CG-CE1 4.05Å; L637-F652 HydrophobicContact CD2-CE1 3.51Å; L637-F652 HydrophobicContact CD2-CE2 4.5Å; L637-F652 HydrophobicContact CD2-CZ 3.36Å; D650-F652 PolarHBondContact O-N 3.33Å; D650-F652 VanDerWaalsContact O-N 3.1Å; F652-H654 PolarHBondContact O-N 3.24Å; F652-V655 HydrophobicContact CB-CB 4.11Å; F652-V655 HydrophobicContact CB-CG2 4.45Å; F652-V655 HydrophobicContact CD1-CB 4.13Å; F652-V655 HydrophobicContact CD1-CG2 3.84Å; F652-V655 HydrophobicContact CG-CB 4.44Å; F652-V655 PolarHBondContact O-N 3Å; F652-L661 HydrophobicContact CE2-CD2 4.34Å; F652-F675 AromaticContact CD2-CD2 3.67Å; F652-F675 HydrophobicContact CD2-CD2 3.67Å; F652-F675 AromaticContact CD2-CE2 3.95Å; F652-F675 HydrophobicContact CD2-CE2 3.95Å; F652-F675 AromaticContact CE2-CD2 3.9Å; F652-F675 HydrophobicContact CE2-CD2 3.9Å; F652-F675 AromaticContact CE2-CE2 3.78Å; F652-F675 HydrophobicContact CE2-CE2 3.78Å; F652-L676 HydrophobicContact CD2-CD2 3.66Å; F652-L676 HydrophobicContact CE2-CD2 4.07Å; F652-I679 HydrophobicContact CB-CD1 4.25Å; F652-I679 HydrophobicContact CD2-CD1 4.39Å |
| 653 | V | 87.5 | Confident | 94.2 | Very high | 51 Ų | 51 | 41.8 Ų | 41.8 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -30.3 | 179.1 | 170.7 | 0 | 0 | 0 | 0 | 112.7 | D650 | D650-V653 HydrophobicContact CB-CG2 3.9Å; D650-V653 VanDerWaalsContact O-CG2 3.3Å; D650-V653 WeakPolarHBondContact O-CG2 3.49Å; D650-V653 PolarHBondContact O-N 3Å |
| 654 | H | 86.5 | Confident | 94.2 | Very high | 96 Ų | 96 | 38 Ų | 38 | 44% | 0.444 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 19.5 | -178.5 | -55.8 | 130.1 | 0 | 0 | 0 | 114.7 | L631 F652 | L631-H654 PolarHBondContact N-O 2.88Å; L631-H654 VanDerWaalsContact N-O 3.16Å; F652-H654 PolarHBondContact O-N 3.24Å |
| 655 | V | 92.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -115.3 | 96 | 175.6 | -178.8 | 0 | 0 | 0 | 0 | 107.3 | F628 L631 L634 F652 L658 I679 | F628-V655 HydrophobicContact CB-CG2 3.96Å; L631-V655 HydrophobicContact CB-CG2 4.27Å; L631-V655 HydrophobicContact CD1-CG2 4.35Å; L634-V655 HydrophobicContact CB-CG1 4.11Å; L634-V655 HydrophobicContact CD2-CG1 3.87Å; L634-V655 HydrophobicContact CD2-CG2 4.47Å; L634-V655 HydrophobicContact CG-CG1 4.42Å; F652-V655 HydrophobicContact CB-CB 4.11Å; F652-V655 HydrophobicContact CB-CG2 4.45Å; F652-V655 HydrophobicContact CD1-CB 4.13Å; F652-V655 HydrophobicContact CD1-CG2 3.84Å; F652-V655 HydrophobicContact CG-CB 4.44Å; F652-V655 PolarHBondContact O-N 3Å; V655-L658 HydrophobicContact CG1-CB 4.04Å; V655-L658 HydrophobicContact CG1-CD1 4.45Å; V655-I679 WeakPolarHBondContact O-CG1 3.41Å | ||
| 656 | I | 90.7 | Very high | 94.4 | Very high | 80 Ų | 80 | 35.6 Ų | 35.6 | 41% | 0.41 | 20% | 0.196 | S | C | . | . | trans | -103.9 | -17.7 | -168.4 | 54.5 | 163 | 0 | 0 | 0 | 114.5 | ||||
| 657 | K | 95.4 | Very high | 94.6 | Very high | 79 Ų | 79 | 36.9 Ų | 36.9 | 34% | 0.343 | 19% | 0.19 | S | C | . | . | trans | -107.2 | 13.5 | -172.6 | -76.1 | -61.9 | -165.7 | 172.4 | 0 | 114.2 | P632 L634 E659 E681 | P632-K657 WeakPolarHBondContact O-CB 3.43Å; P632-K657 WeakPolarHBondContact O-CG 3.42Å; L634-K657 CarbonylContact O-C 3.12Å; L634-K657 VanDerWaalsContact O-O 3.13Å; K657-E659 PolarHBondContact O-N 3.05Å; K657-E681 WeakPolarHBondContact CD-OE2 3.33Å; K657-E681 IonicContact NZ-OE1 3.81Å; K657-E681 PolarHBondContact NZ-OE1 3.13Å; K657-E681 IonicContact NZ-OE2 3.28Å; K657-E681 PolarHBondContact NZ-OE2 3.01Å | ||
| 658 | L | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -65.5 | 125.1 | -177.7 | -163 | 71.6 | 0 | 0 | 0 | 110.2 | L634 L637 V655 L661 I679 E681 L682 | L634-L658 HydrophobicContact CD2-CD1 4.2Å; L634-L658 HydrophobicContact CG-CD1 4Å; L634-L658 VanDerWaalsContact O-CA 3.24Å; L634-L658 WeakPolarHBondContact O-CA 3.26Å; L634-L658 PolarHBondContact O-N 3.15Å; L634-L658 VanDerWaalsContact O-N 3.09Å; L637-L658 HydrophobicContact CB-CD1 3.91Å; V655-L658 HydrophobicContact CG1-CB 4.04Å; V655-L658 HydrophobicContact CG1-CD1 4.45Å; L658-L661 HydrophobicContact CD2-CB 4.02Å; L658-L661 HydrophobicContact CD2-CD1 4.35Å; L658-L661 HydrophobicContact CD2-CD2 4.41Å; L658-L661 HydrophobicContact CD2-CG 4.49Å; L658-I679 HydrophobicContact CB-CD1 4.09Å; L658-I679 HydrophobicContact CB-CG1 4.37Å; L658-I679 HydrophobicContact CB-CG2 4Å; L658-I679 HydrophobicContact CD2-CD1 4Å; L658-I679 VanDerWaalsContact O-CG2 3.26Å; L658-I679 WeakPolarHBondContact O-CG2 3.5Å; L658-E681 CarbonylContact O-C 3.35Å; L658-L682 HydrophobicContact CB-CD1 4.31Å; L658-L682 HydrophobicContact CD2-CD1 4.03Å; L658-L682 HydrophobicContact CG-CD1 4Å; L658-L682 VanDerWaalsContact O-CA 3.32Å; L658-L682 WeakPolarHBondContact O-CA 3.45Å; L658-L682 PolarHBondContact O-N 3.09Å | ||
| 659 | E | 98.3 | Very high | 95 | Very high | 53 Ų | 53 | 34.8 Ų | 34.8 | 25% | 0.248 | 19% | 0.19 | C | C | . | . | trans | -104.1 | -37.2 | -179.4 | -67 | -178.7 | -147.4 | 0 | 0 | 111.3 | Q635 K657 R683 S684 | Q635-E659 HydrophobicContact CG-CG 4.49Å; Q635-E659 PolarHBondContact NE2-OE1 3.33Å; Q635-E659 PolarHBondContact O-N 2.79Å; K657-E659 PolarHBondContact O-N 3.05Å; E659-R683 PolarHBondContact O-N 2.96Å; E659-S684 PolarHBondContact O-N 2.77Å; E659-S684 VanDerWaalsContact O-N 3.1Å | ||
| 660 | T | 98.5 | Very high | 95.2 | Very high | 47 Ų | 47 | 36.4 Ų | 36.4 | 29% | 0.288 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 131.5 | -178.1 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | Q635 Y636 L637 S684 | Q635-T660 PolarHBondContact O-N 2.96Å; Y636-T660 HydrophobicContact CD2-CG2 3.79Å; Y636-T660 HydrophobicContact CE2-CG2 3.9Å; L637-T660 PolarHBondContact N-O 3.45Å; T660-S684 WeakPolarHBondContact CA-O 3.46Å |
| 661 | L | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 120 | 176.2 | 177.1 | 59.2 | 0 | 0 | 0 | 110.7 | L637 F652 L658 L663 F675 L676 L682 S684 I685 D686 | L637-L661 HydrophobicContact CB-CD1 4.15Å; L637-L661 HydrophobicContact CD2-CD1 4.05Å; L637-L661 HydrophobicContact CG-CD1 4.1Å; F652-L661 HydrophobicContact CE2-CD2 4.34Å; L658-L661 HydrophobicContact CD2-CB 4.02Å; L658-L661 HydrophobicContact CD2-CD1 4.35Å; L658-L661 HydrophobicContact CD2-CD2 4.41Å; L658-L661 HydrophobicContact CD2-CG 4.49Å; L661-L663 HydrophobicContact CD1-CD2 4.45Å; L661-L663 HydrophobicContact CD1-CG 4.17Å; L661-L663 HydrophobicContact CD2-CD1 3.86Å; L661-L663 HydrophobicContact CD2-CG 4.27Å; L661-L663 HydrophobicContact CG-CD1 4.11Å; L661-L663 HydrophobicContact CG-CG 3.99Å; L661-F675 HydrophobicContact CD2-CE2 4.43Å; L661-L676 HydrophobicContact CD2-CD1 4.34Å; L661-L676 HydrophobicContact CD2-CD2 3.82Å; L661-L682 HydrophobicContact CB-CD1 4.07Å; L661-S684 PolarHBondContact N-O 3.02Å; L661-S684 VanDerWaalsContact N-O 3.1Å; L661-I685 HydrophobicContact CB-CG1 4.21Å; L661-I685 HydrophobicContact CD2-CD1 4.12Å; L661-I685 HydrophobicContact CD2-CG1 4.47Å; L661-I685 HydrophobicContact CG-CG1 4.37Å; L661-I685 VanDerWaalsContact O-CA 3.31Å; L661-I685 WeakPolarHBondContact O-CA 3.32Å; L661-I685 WeakPolarHBondContact O-CG1 3.42Å; L661-D686 PolarHBondContact O-N 3Å |
| 662 | D | 98.6 | Very high | 95.6 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 8% | 0.08 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 110.1 | 176.1 | -175.3 | -3.2 | 0 | 0 | 0 | 110.2 | L637 L639 R640 S664 | L637-D662 PolarHBondContact O-N 3.02Å; L639-D662 PolarHBondContact N-O 3.25Å; R640-D662 WeakPolarHBondContact CB-OD2 3.44Å; R640-D662 WeakPolarHBondContact CD-OD2 3.38Å; D662-S664 VanDerWaalsContact OD1-CB 3.22Å; D662-S664 WeakPolarHBondContact OD1-CB 3.42Å; D662-S664 PolarHBondContact OD1-N 3.3Å; D662-S664 PolarHBondContact OD1-OG 3.39Å |
| 663 | L | 98.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | trans | -114 | 14.5 | 175.5 | -70.2 | 168.6 | 0 | 0 | 0 | 111.1 | L639 L644 I647 L661 N666 F671 F675 D686 L687 N690 | L639-L663 HydrophobicContact CB-CD2 4.06Å; L639-L663 HydrophobicContact CD1-CD2 3.89Å; L644-L663 HydrophobicContact CD1-CD2 4.24Å; I647-L663 HydrophobicContact CD1-CD1 3.72Å; I647-L663 HydrophobicContact CD1-CD2 4Å; L661-L663 HydrophobicContact CD1-CD2 4.45Å; L661-L663 HydrophobicContact CD1-CG 4.17Å; L661-L663 HydrophobicContact CD2-CD1 3.86Å; L661-L663 HydrophobicContact CD2-CG 4.27Å; L661-L663 HydrophobicContact CG-CD1 4.11Å; L661-L663 HydrophobicContact CG-CG 3.99Å; L663-N666 PolarHBondContact O-ND2 2.94Å; L663-F671 HydrophobicContact CD1-CE2 4.02Å; L663-F675 HydrophobicContact CD1-CZ 4.38Å; L663-D686 CarbonylContact C-O 3.21Å; L663-D686 WeakPolarHBondContact CA-O 3.39Å; L663-D686 PolarHBondContact N-O 2.99Å; L663-L687 HydrophobicContact CB-CD2 3.95Å; L663-L687 HydrophobicContact CD1-CD2 3.88Å; L663-N690 PolarHBondContact O-ND2 3.29Å | ||
| 664 | S | 98.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | trans | -65.8 | 155.6 | -174.8 | 65.9 | 0 | 0 | 0 | 0 | 112.4 | R640 Y641 D662 N666 D686 S688 | R640-S664 CarbonylContact C-O 3.47Å; R640-S664 WeakPolarHBondContact CA-O 3.32Å; R640-S664 VanDerWaalsContact CD-OG 3.24Å; R640-S664 WeakPolarHBondContact CD-OG 3.41Å; R640-S664 WeakPolarHBondContact CG-OG 3.48Å; Y641-S664 PolarHBondContact N-O 3.29Å; D662-S664 VanDerWaalsContact OD1-CB 3.22Å; D662-S664 WeakPolarHBondContact OD1-CB 3.42Å; D662-S664 PolarHBondContact OD1-N 3.3Å; D662-S664 PolarHBondContact OD1-OG 3.39Å; S664-N666 PolarHBondContact O-N 3.13Å; S664-N666 PolarHBondContact O-ND2 3.08Å; S664-D686 PolarHBondContact N-O 3.06Å; S664-S688 CarbonylContact C-O 3.52Å; S664-S688 WeakPolarHBondContact CA-O 3.31Å; S664-S688 VanDerWaalsContact CB-O 3.31Å; S664-S688 WeakPolarHBondContact CB-O 3.34Å; S664-S688 VanDerWaalsContact CB-OG 3.31Å; S664-S688 WeakPolarHBondContact CB-OG 3.32Å | ||
| 665 | A | 98 | Very high | 96.5 | Very high | 14 Ų | 14 | 34.9 Ų | 34.9 | 12% | 0.116 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 55.4 | 49.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y641 N642 S688 R689 | Y641-A665 WeakPolarHBondContact CA-O 3.09Å; Y641-A665 HydrophobicContact CD1-CB 3.27Å; Y641-A665 HydrophobicContact CE1-CB 3.43Å; Y641-A665 VanDerWaalsContact CE1-CB 3.43Å; Y641-A665 HydrophobicContact CG-CB 3.84Å; Y641-A665 PolarHBondContact N-O 2.82Å; N642-A665 PolarHBondContact N-O 2.83Å; A665-S688 PolarHBondContact N-O 3.13Å; A665-R689 WeakPolarHBondContact CA-O 3.27Å; A665-R689 HydrophobicContact CB-CB 4.07Å; A665-R689 PolarHBondContact N-O 3.29Å |
| 666 | N | 98.5 | Very high | 96.6 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -115.2 | -163.6 | 169.7 | -84.4 | -77.1 | 0 | 0 | 0 | 110 | L639 N642 K643 L644 L663 S664 L668 N690 | L639-N666 PolarHBondContact O-ND2 3.16Å; N642-N666 WeakPolarHBondContact CA-OD1 3.16Å; N642-N666 WeakPolarHBondContact CB-OD1 3.25Å; N642-N666 PolarHBondContact O-OD1 3.21Å; K643-N666 PolarHBondContact N-OD1 2.97Å; L644-N666 HydrophobicContact CB-CB 4.16Å; L644-N666 WeakPolarHBondContact CB-OD1 3.45Å; L644-N666 WeakPolarHBondContact CG-OD1 3.3Å; L644-N666 PolarHBondContact N-OD1 2.92Å; L663-N666 PolarHBondContact O-ND2 2.94Å; S664-N666 PolarHBondContact O-N 3.13Å; S664-N666 PolarHBondContact O-ND2 3.08Å; N666-L668 HydrophobicContact CB-CG 4.39Å; N666-N690 VanDerWaalsContact CA-OD1 3.25Å; N666-N690 WeakPolarHBondContact CA-OD1 3.46Å; N666-N690 WeakPolarHBondContact CB-OD1 3.43Å; N666-N690 PolarHBondContact N-OD1 2.86Å; N666-N690 PolarHBondContact O-OD1 2.89Å |
| 667 | Q | 97.5 | Very high | 96.8 | Very high | 97 Ų | 97 | 34.6 Ų | 34.6 | 45% | 0.453 | 18% | 0.182 | S | C | . | . | trans | -118.2 | 21.1 | -176 | -58.4 | 179.7 | 5.3 | 0 | 0 | 112.7 | L644 A669 N690 | L644-Q667 CarbonylContact O-C 3.47Å; L644-Q667 VanDerWaalsContact O-CA 3.27Å; L644-Q667 WeakPolarHBondContact O-CA 3.03Å; L644-Q667 WeakPolarHBondContact O-CB 3.22Å; L644-Q667 PolarHBondContact O-N 3.16Å; Q667-A669 PolarHBondContact O-N 2.84Å; Q667-N690 PolarHBondContact N-OD1 2.95Å | ||
| 668 | L | 97.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | trans | -62.9 | 123.4 | -176.1 | -59 | 174.8 | 0 | 0 | 0 | 110.4 | L644 I647 N666 N690 N691 L692 | L644-L668 HydrophobicContact CB-CD2 4.25Å; L644-L668 PolarHBondContact O-N 3.32Å; I647-L668 HydrophobicContact CD1-CD1 4.28Å; I647-L668 HydrophobicContact CD1-CD2 4.48Å; I647-L668 HydrophobicContact CG1-CD2 4.23Å; N666-L668 HydrophobicContact CB-CG 4.39Å; L668-N690 HydrophobicContact CB-CB 4.28Å; L668-N690 WeakPolarHBondContact CB-OD1 3.35Å; L668-N690 WeakPolarHBondContact CG-OD1 3.28Å; L668-N690 PolarHBondContact N-OD1 3.22Å; L668-N691 CarbonylContact O-C 3.14Å; L668-N691 VanDerWaalsContact O-CA 3.24Å; L668-N691 WeakPolarHBondContact O-CA 3.34Å; L668-N691 WeakPolarHBondContact O-CB 3.33Å; L668-N691 PolarHBondContact O-N 3.04Å; L668-L692 HydrophobicContact CB-CD2 3.8Å; L668-L692 WeakPolarHBondContact O-CD2 3.21Å; L668-L692 PolarHBondContact O-N 3.24Å | ||
| 669 | A | 96.3 | Very high | 96.4 | Very high | 56 Ų | 56 | 35.1 Ų | 35.1 | 46% | 0.463 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -89.7 | -28.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q667 L692 G693 | Q667-A669 PolarHBondContact O-N 2.84Å; A669-L692 WeakPolarHBondContact O-CA 3.46Å; A669-G693 PolarHBondContact O-N 3.3Å |
| 670 | T | 94.9 | Very high | 96.1 | Very high | 92 Ų | 92 | 40.4 Ų | 40.4 | 56% | 0.564 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 159.3 | 174.9 | 61.1 | 0 | 0 | 0 | 0 | 109.4 | L692 | T670-L692 VanDerWaalsContact C-CD2 3.41Å |
| 671 | F | 96.4 | Very high | 95.7 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 4% | 0.039 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 123.4 | 175.4 | -178.7 | -89.5 | 0 | 0 | 0 | 110.4 | L663 F675 L676 I685 L687 L692 S694 I695 S696 L697 L700 | L663-F671 HydrophobicContact CD1-CE2 4.02Å; F671-F675 HydrophobicContact CD2-CE1 4.43Å; F671-F675 AromaticContact CE2-CE1 3.79Å; F671-F675 HydrophobicContact CE2-CE1 3.79Å; F671-F675 AromaticContact CE2-CZ 3.68Å; F671-F675 HydrophobicContact CE2-CZ 3.68Å; F671-F675 HydrophobicContact CZ-CE1 4Å; F671-F675 AromaticContact CZ-CZ 3.94Å; F671-F675 HydrophobicContact CZ-CZ 3.94Å; F671-L676 HydrophobicContact CZ-CD1 4.05Å; F671-I685 HydrophobicContact CE2-CD1 4.13Å; F671-I685 HydrophobicContact CZ-CD1 3.68Å; F671-L687 HydrophobicContact CD1-CD1 4.1Å; F671-L687 HydrophobicContact CD2-CD1 4.01Å; F671-L687 HydrophobicContact CD2-CD2 3.6Å; F671-L687 HydrophobicContact CD2-CG 4.5Å; F671-L687 HydrophobicContact CE1-CD1 4.18Å; F671-L687 HydrophobicContact CE2-CD1 4.08Å; F671-L687 HydrophobicContact CE2-CD2 3.53Å; F671-L687 HydrophobicContact CE2-CG 4.44Å; F671-L687 HydrophobicContact CG-CD1 4.02Å; F671-L687 HydrophobicContact CG-CD2 4.4Å; F671-L687 HydrophobicContact CZ-CD1 4.17Å; F671-L687 HydrophobicContact CZ-CD2 4.29Å; F671-L692 HydrophobicContact CB-CD1 4.4Å; F671-L692 HydrophobicContact CB-CD2 3.81Å; F671-S694 PolarHBondContact N-O 2.91Å; F671-I695 HydrophobicContact CB-CG2 4.18Å; F671-I695 CarbonylContact O-C 3.12Å; F671-I695 WeakPolarHBondContact O-CA 3.26Å; F671-S696 PolarHBondContact O-N 3.22Å; F671-L697 HydrophobicContact CD1-CD2 4.21Å; F671-L697 HydrophobicContact CE1-CD2 3.94Å; F671-L700 HydrophobicContact CE1-CD1 4.43Å |
| 672 | D | 95.3 | Very high | 95.7 | Very high | 86 Ų | 86 | 41.5 Ų | 41.5 | 46% | 0.46 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120.7 | 169.9 | -172.5 | -32.5 | 0 | 0 | 0 | 109.5 | H674 F675 | D672-H674 PolarHBondContact O-N 3.01Å; D672-H674 WeakPolarHBondContact OD1-CB 3.11Å; D672-H674 PolarHBondContact OD1-N 3.27Å; D672-F675 WeakPolarHBondContact O-CD1 3.45Å; D672-F675 WeakPolarHBondContact O-CE1 3.13Å |
| 673 | S | 95.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -65.7 | 0.8 | 179.5 | 59.6 | 0 | 0 | 0 | 0 | 115.9 | F675 L676 S696 G698 H699 | S673-F675 PolarHBondContact O-N 3.19Å; S673-F675 VanDerWaalsContact O-N 3.11Å; S673-L676 WeakPolarHBondContact O-CA 3.2Å; S673-L676 WeakPolarHBondContact O-CB 3.02Å; S673-L676 PolarHBondContact O-N 3.1Å; S673-S696 WeakPolarHBondContact CB-O 3.32Å; S673-S696 PolarHBondContact N-O 3.15Å; S673-S696 PolarHBondContact OG-O 2.99Å; S673-S696 VanDerWaalsContact OG-O 3.11Å; S673-G698 PolarHBondContact OG-N 2.92Å; S673-G698 VanDerWaalsContact OG-N 3.1Å; S673-H699 PolarHBondContact OG-N 3.13Å |
| 674 | H | 95 | Very high | 95.7 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 37% | 0.366 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -53.2 | -32.4 | -179.9 | -173.8 | 85.3 | 0 | 0 | 0 | 114.2 | D672 L676 R677 H699 | D672-H674 PolarHBondContact O-N 3.01Å; D672-H674 WeakPolarHBondContact OD1-CB 3.11Å; D672-H674 PolarHBondContact OD1-N 3.27Å; H674-L676 PolarHBondContact O-N 3.31Å; H674-R677 PolarHBondContact NE2-NH1 2.9Å; H674-R677 WeakPolarHBondContact O-CB 3.27Å; H674-R677 WeakPolarHBondContact O-CG 3.49Å; H674-R677 PolarHBondContact O-N 3.34Å; H674-R677 PolarHBondContact O-NH1 3.29Å; H674-H699 VanDerWaalsContact CA-CD2 3.44Å; H674-H699 WeakPolarHBondContact CA-CD2 3.22Å; H674-H699 AromaticContact ND1-NE2 3.72Å |
| 675 | F | 94.2 | Very high | 95.7 | Very high | 11 Ų | 11 | 48 Ų | 48 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -71.1 | -12.8 | 176.6 | 72.4 | -88.1 | 0 | 0 | 0 | 114.2 | I647 H648 P649 I651 F652 L661 L663 F671 D672 S673 | I647-F675 HydrophobicContact CB-CD1 4.34Å; I647-F675 HydrophobicContact CB-CE1 4.34Å; I647-F675 HydrophobicContact CD1-CE1 4.07Å; I647-F675 HydrophobicContact CD1-CE2 4.13Å; I647-F675 HydrophobicContact CD1-CZ 3.67Å; I647-F675 HydrophobicContact CG2-CB 4.4Å; I647-F675 HydrophobicContact CG2-CD1 4.02Å; I647-F675 HydrophobicContact CG2-CD2 3.66Å; I647-F675 HydrophobicContact CG2-CE1 4.22Å; I647-F675 HydrophobicContact CG2-CE2 3.85Å; I647-F675 HydrophobicContact CG2-CG 3.76Å; I647-F675 HydrophobicContact CG2-CZ 4.14Å; H648-F675 WeakPolarHBondContact O-CB 3.44Å; P649-F675 VanDerWaalsContact O-CA 3.25Å; P649-F675 WeakPolarHBondContact O-CA 3.36Å; I651-F675 HydrophobicContact CG2-CB 4.06Å; I651-F675 HydrophobicContact CG2-CD2 3.72Å; I651-F675 HydrophobicContact CG2-CG 4.25Å; F652-F675 AromaticContact CD2-CD2 3.67Å; F652-F675 HydrophobicContact CD2-CD2 3.67Å; F652-F675 AromaticContact CD2-CE2 3.95Å; F652-F675 HydrophobicContact CD2-CE2 3.95Å; F652-F675 AromaticContact CE2-CD2 3.9Å; F652-F675 HydrophobicContact CE2-CD2 3.9Å; F652-F675 AromaticContact CE2-CE2 3.78Å; F652-F675 HydrophobicContact CE2-CE2 3.78Å; L661-F675 HydrophobicContact CD2-CE2 4.43Å; L663-F675 HydrophobicContact CD1-CZ 4.38Å; F671-F675 HydrophobicContact CD2-CE1 4.43Å; F671-F675 AromaticContact CE2-CE1 3.79Å; F671-F675 HydrophobicContact CE2-CE1 3.79Å; F671-F675 AromaticContact CE2-CZ 3.68Å; F671-F675 HydrophobicContact CE2-CZ 3.68Å; F671-F675 HydrophobicContact CZ-CE1 4Å; F671-F675 AromaticContact CZ-CZ 3.94Å; F671-F675 HydrophobicContact CZ-CZ 3.94Å; D672-F675 WeakPolarHBondContact O-CD1 3.45Å; D672-F675 WeakPolarHBondContact O-CE1 3.13Å; S673-F675 PolarHBondContact O-N 3.19Å; S673-F675 VanDerWaalsContact O-N 3.11Å |
| 676 | L | 95.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -100.1 | 5.7 | 177.5 | -58.4 | 166.7 | 0 | 0 | 0 | 112.5 | F652 L661 F671 S673 H674 Q678 I679 L682 I685 L700 | F652-L676 HydrophobicContact CD2-CD2 3.66Å; F652-L676 HydrophobicContact CE2-CD2 4.07Å; L661-L676 HydrophobicContact CD2-CD1 4.34Å; L661-L676 HydrophobicContact CD2-CD2 3.82Å; F671-L676 HydrophobicContact CZ-CD1 4.05Å; S673-L676 WeakPolarHBondContact O-CA 3.2Å; S673-L676 WeakPolarHBondContact O-CB 3.02Å; S673-L676 PolarHBondContact O-N 3.1Å; H674-L676 PolarHBondContact O-N 3.31Å; L676-Q678 PolarHBondContact O-N 2.75Å; L676-I679 HydrophobicContact CB-CD1 4.13Å; L676-I679 HydrophobicContact CD2-CD1 3.34Å; L676-I679 HydrophobicContact CG-CD1 4.35Å; L676-I679 WeakPolarHBondContact O-CB 3.24Å; L676-I679 PolarHBondContact O-N 3.27Å; L676-L682 HydrophobicContact CD1-CD2 4.2Å; L676-I685 HydrophobicContact CD1-CD1 4.25Å; L676-L700 HydrophobicContact CB-CD2 4Å; L676-L700 HydrophobicContact CD1-CD1 3.77Å; L676-L700 HydrophobicContact CD1-CD2 3.86Å; L676-L700 HydrophobicContact CD1-CG 4.15Å |
| 677 | R | 94.2 | Very high | 95.7 | Very high | 75 Ų | 75 | 49.1 Ų | 49.1 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -21 | -171.6 | 69.5 | -175.3 | -179.3 | -80.8 | 1.9 | 116.6 | P649 D650 H674 H699 | P649-R677 PolarHBondContact O-NH1 2.71Å; D650-R677 IonicContact OD1-CZ 2.92Å; D650-R677 IonicContact OD1-NH1 3.09Å; D650-R677 PolarHBondContact OD1-NH1 2.84Å; D650-R677 IonicContact OD1-NH2 3.97Å; D650-R677 PolarHBondContact OD1-NH2 2.9Å; H674-R677 PolarHBondContact NE2-NH1 2.9Å; H674-R677 WeakPolarHBondContact O-CB 3.27Å; H674-R677 WeakPolarHBondContact O-CG 3.49Å; H674-R677 PolarHBondContact O-N 3.34Å; H674-R677 PolarHBondContact O-NH1 3.29Å; R677-H699 WeakPolarHBondContact CB-ND1 3.46Å |
| 678 | Q | 91.1 | Very high | 95.8 | Very high | 85 Ų | 85 | 45 Ų | 45 | 40% | 0.397 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -15.7 | 178 | -62.1 | -58.9 | -31.9 | 0 | 0 | 113.3 | L676 K680 | L676-Q678 PolarHBondContact O-N 2.75Å; Q678-K680 PolarHBondContact O-N 3.02Å |
| 679 | I | 93.7 | Very high | 95.8 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | trans | -85.4 | 114.5 | -175.5 | -59.6 | 161.3 | 0 | 0 | 0 | 109 | F652 V655 L658 L676 L682 | F652-I679 HydrophobicContact CB-CD1 4.25Å; F652-I679 HydrophobicContact CD2-CD1 4.39Å; V655-I679 WeakPolarHBondContact O-CG1 3.41Å; L658-I679 HydrophobicContact CB-CD1 4.09Å; L658-I679 HydrophobicContact CB-CG1 4.37Å; L658-I679 HydrophobicContact CB-CG2 4Å; L658-I679 HydrophobicContact CD2-CD1 4Å; L658-I679 VanDerWaalsContact O-CG2 3.26Å; L658-I679 WeakPolarHBondContact O-CG2 3.5Å; L676-I679 HydrophobicContact CB-CD1 4.13Å; L676-I679 HydrophobicContact CD2-CD1 3.34Å; L676-I679 HydrophobicContact CG-CD1 4.35Å; L676-I679 WeakPolarHBondContact O-CB 3.24Å; L676-I679 PolarHBondContact O-N 3.27Å; I679-L682 HydrophobicContact CG2-CB 3.81Å; I679-L682 HydrophobicContact CG2-CD1 4.49Å | ||
| 680 | K | 91 | Very high | 95.9 | Very high | 164 Ų | 164 | 47.7 Ų | 47.7 | 71% | 0.713 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -102.4 | -1.9 | -177.1 | -62.4 | -179.1 | -177.9 | 177.3 | 0 | 113.7 | Q678 T703 | Q678-K680 PolarHBondContact O-N 3.02Å; K680-T703 VanDerWaalsContact O-CG2 3.25Å; K680-T703 WeakPolarHBondContact O-CG2 3.19Å |
| 681 | E | 91.4 | Very high | 96 | Very high | 70 Ų | 70 | 45.8 Ų | 45.8 | 33% | 0.327 | 21% | 0.208 | S | C | . | . | trans | -123.6 | 10.3 | -171 | -65.8 | -177.7 | -162 | 0 | 0 | 112.9 | K657 L658 R683 | K657-E681 WeakPolarHBondContact CD-OE2 3.33Å; K657-E681 IonicContact NZ-OE1 3.81Å; K657-E681 PolarHBondContact NZ-OE1 3.13Å; K657-E681 IonicContact NZ-OE2 3.28Å; K657-E681 PolarHBondContact NZ-OE2 3.01Å; L658-E681 CarbonylContact O-C 3.35Å; E681-R683 WeakPolarHBondContact O-CG 3.46Å; E681-R683 PolarHBondContact O-N 3.26Å; E681-R683 VanDerWaalsContact O-N 3.16Å | ||
| 682 | L | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -68.3 | 115.3 | -179.9 | -161.2 | 77 | 0 | 0 | 0 | 110.3 | L658 L661 L676 I679 I685 L700 T703 L704 | L658-L682 HydrophobicContact CB-CD1 4.31Å; L658-L682 HydrophobicContact CD2-CD1 4.03Å; L658-L682 HydrophobicContact CG-CD1 4Å; L658-L682 VanDerWaalsContact O-CA 3.32Å; L658-L682 WeakPolarHBondContact O-CA 3.45Å; L658-L682 PolarHBondContact O-N 3.09Å; L661-L682 HydrophobicContact CB-CD1 4.07Å; L676-L682 HydrophobicContact CD1-CD2 4.2Å; I679-L682 HydrophobicContact CG2-CB 3.81Å; I679-L682 HydrophobicContact CG2-CD1 4.49Å; L682-I685 HydrophobicContact CD2-CB 4.33Å; L682-I685 HydrophobicContact CD2-CD1 4.4Å; L682-L700 HydrophobicContact CB-CD2 4.26Å; L682-L700 HydrophobicContact CD2-CD1 4.02Å; L682-L700 HydrophobicContact CD2-CD2 3.52Å; L682-L700 HydrophobicContact CD2-CG 4.39Å; L682-T703 CarbonylContact O-C 3.53Å; L682-T703 VanDerWaalsContact O-C 3.23Å; L682-T703 WeakPolarHBondContact O-CB 3.37Å; L682-T703 PolarHBondContact O-OG1 3.01Å; L682-L704 HydrophobicContact CD2-CD1 4.35Å | ||
| 683 | R | 98.2 | Very high | 96.1 | Very high | 128 Ų | 128 | 43.5 Ų | 43.5 | 48% | 0.483 | 21% | 0.207 | S | C | . | . | trans | -102.2 | -35.9 | -178.1 | -59.7 | -176.5 | -173.8 | -150.7 | 2.6 | 112.2 | E659 E681 M705 E706 | E659-R683 PolarHBondContact O-N 2.96Å; E681-R683 WeakPolarHBondContact O-CG 3.46Å; E681-R683 PolarHBondContact O-N 3.26Å; E681-R683 VanDerWaalsContact O-N 3.16Å; R683-M705 PolarHBondContact O-N 3.2Å; R683-E706 PolarHBondContact O-N 2.9Å | ||
| 684 | S | 98.6 | Very high | 96 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 19% | 0.189 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 135.4 | -175.6 | -173 | 0 | 0 | 0 | 0 | 111.5 | E659 T660 L661 E706 | E659-S684 PolarHBondContact O-N 2.77Å; E659-S684 VanDerWaalsContact O-N 3.1Å; T660-S684 WeakPolarHBondContact CA-O 3.46Å; L661-S684 PolarHBondContact N-O 3.02Å; L661-S684 VanDerWaalsContact N-O 3.1Å; S684-E706 WeakPolarHBondContact CA-O 3.48Å |
| 685 | I | 98.5 | Very high | 96 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 130 | 171.5 | -164.7 | 175.2 | 0 | 0 | 0 | 110.4 | L661 F671 L676 L682 L687 L700 L704 E706 L707 S708 | L661-I685 HydrophobicContact CB-CG1 4.21Å; L661-I685 HydrophobicContact CD2-CD1 4.12Å; L661-I685 HydrophobicContact CD2-CG1 4.47Å; L661-I685 HydrophobicContact CG-CG1 4.37Å; L661-I685 VanDerWaalsContact O-CA 3.31Å; L661-I685 WeakPolarHBondContact O-CA 3.32Å; L661-I685 WeakPolarHBondContact O-CG1 3.42Å; F671-I685 HydrophobicContact CE2-CD1 4.13Å; F671-I685 HydrophobicContact CZ-CD1 3.68Å; L676-I685 HydrophobicContact CD1-CD1 4.25Å; L682-I685 HydrophobicContact CD2-CB 4.33Å; L682-I685 HydrophobicContact CD2-CD1 4.4Å; I685-L687 HydrophobicContact CD1-CD1 4.38Å; I685-L687 HydrophobicContact CD1-CD2 4.18Å; I685-L687 HydrophobicContact CD1-CG 4.23Å; I685-L687 HydrophobicContact CG1-CD2 4.4Å; I685-L687 HydrophobicContact CG1-CG 4.21Å; I685-L700 HydrophobicContact CD1-CD1 4.18Å; I685-L704 HydrophobicContact CB-CD1 4.18Å; I685-L704 HydrophobicContact CG2-CD1 3.75Å; I685-L704 HydrophobicContact CG2-CD2 3.84Å; I685-L704 HydrophobicContact CG2-CG 4.42Å; I685-E706 PolarHBondContact N-O 2.99Å; I685-L707 HydrophobicContact CG2-CD1 3.4Å; I685-S708 PolarHBondContact O-N 3.01Å; I685-S708 VanDerWaalsContact O-N 3.16Å |
| 686 | D | 98.7 | Very high | 96.1 | Very high | 44 Ų | 44 | 45.8 Ų | 45.8 | 24% | 0.235 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 115 | 172.9 | -164.7 | -10.6 | 0 | 0 | 0 | 109.9 | L661 L663 S664 S688 S708 | L661-D686 PolarHBondContact O-N 3Å; L663-D686 CarbonylContact C-O 3.21Å; L663-D686 WeakPolarHBondContact CA-O 3.39Å; L663-D686 PolarHBondContact N-O 2.99Å; S664-D686 PolarHBondContact N-O 3.06Å; D686-S688 WeakPolarHBondContact OD1-CB 3.5Å; D686-S688 PolarHBondContact OD1-N 2.8Å; D686-S688 PolarHBondContact OD1-OG 3.02Å; D686-S688 PolarHBondContact OD2-OG 3.44Å; D686-S708 WeakPolarHBondContact OD1-CB 3.46Å; D686-S708 PolarHBondContact OD1-OG 3.22Å |
| 687 | L | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -113.2 | 11.1 | 176.7 | -65.8 | 172.4 | 0 | 0 | 0 | 111.4 | L663 F671 I685 N690 L692 L707 S708 L709 N712 | L663-L687 HydrophobicContact CB-CD2 3.95Å; L663-L687 HydrophobicContact CD1-CD2 3.88Å; F671-L687 HydrophobicContact CD1-CD1 4.1Å; F671-L687 HydrophobicContact CD2-CD1 4.01Å; F671-L687 HydrophobicContact CD2-CD2 3.6Å; F671-L687 HydrophobicContact CD2-CG 4.5Å; F671-L687 HydrophobicContact CE1-CD1 4.18Å; F671-L687 HydrophobicContact CE2-CD1 4.08Å; F671-L687 HydrophobicContact CE2-CD2 3.53Å; F671-L687 HydrophobicContact CE2-CG 4.44Å; F671-L687 HydrophobicContact CG-CD1 4.02Å; F671-L687 HydrophobicContact CG-CD2 4.4Å; F671-L687 HydrophobicContact CZ-CD1 4.17Å; F671-L687 HydrophobicContact CZ-CD2 4.29Å; I685-L687 HydrophobicContact CD1-CD1 4.38Å; I685-L687 HydrophobicContact CD1-CD2 4.18Å; I685-L687 HydrophobicContact CD1-CG 4.23Å; I685-L687 HydrophobicContact CG1-CD2 4.4Å; I685-L687 HydrophobicContact CG1-CG 4.21Å; L687-N690 PolarHBondContact O-ND2 3.36Å; L687-N690 VanDerWaalsContact O-ND2 3.07Å; L687-L692 HydrophobicContact CB-CD1 4.02Å; L687-L692 HydrophobicContact CD1-CD1 4.38Å; L687-L707 HydrophobicContact CD1-CD1 4.23Å; L687-S708 CarbonylContact C-O 3.41Å; L687-S708 WeakPolarHBondContact CA-O 3.18Å; L687-S708 WeakPolarHBondContact CB-O 3.33Å; L687-S708 PolarHBondContact N-O 3.2Å; L687-L709 HydrophobicContact CB-CD2 3.91Å; L687-L709 HydrophobicContact CD1-CD2 3.86Å; L687-N712 PolarHBondContact O-ND2 3.06Å | ||
| 688 | S | 98.7 | Very high | 96 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | trans | -62.1 | 157.5 | -175.8 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | S664 A665 D686 N690 S708 R710 | S664-S688 CarbonylContact C-O 3.52Å; S664-S688 WeakPolarHBondContact CA-O 3.31Å; S664-S688 VanDerWaalsContact CB-O 3.31Å; S664-S688 WeakPolarHBondContact CB-O 3.34Å; S664-S688 VanDerWaalsContact CB-OG 3.31Å; S664-S688 WeakPolarHBondContact CB-OG 3.32Å; A665-S688 PolarHBondContact N-O 3.13Å; D686-S688 WeakPolarHBondContact OD1-CB 3.5Å; D686-S688 PolarHBondContact OD1-N 2.8Å; D686-S688 PolarHBondContact OD1-OG 3.02Å; D686-S688 PolarHBondContact OD2-OG 3.44Å; S688-N690 VanDerWaalsContact C-N 3.31Å; S688-N690 PolarHBondContact O-N 2.89Å; S688-N690 PolarHBondContact O-ND2 3.4Å; S688-S708 WeakPolarHBondContact CB-OG 3.08Å; S688-S708 PolarHBondContact N-O 3.33Å; S688-R710 CarbonylContact C-O 3.02Å; S688-R710 WeakPolarHBondContact CA-O 3.49Å; S688-R710 WeakPolarHBondContact CB-O 3.38Å | ||
| 689 | R | 98.3 | Very high | 96.1 | Very high | 110 Ų | 110 | 44.4 Ų | 44.4 | 42% | 0.415 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 58.4 | 39.5 | 176.1 | -50.8 | -178.1 | 174.6 | -94.7 | -2.5 | 113 | A665 R710 N711 | A665-R689 WeakPolarHBondContact CA-O 3.27Å; A665-R689 HydrophobicContact CB-CB 4.07Å; A665-R689 PolarHBondContact N-O 3.29Å; R689-R710 PolarHBondContact N-O 3.05Å; R689-N711 WeakPolarHBondContact CA-O 3.35Å; R689-N711 HydrophobicContact CG-CB 3.99Å; R689-N711 PolarHBondContact N-O 3.4Å |
| 690 | N | 98.6 | Very high | 96.2 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -108.5 | -166.2 | 170.2 | -84.9 | -81.5 | 0 | 0 | 0 | 110 | L663 N666 Q667 L668 L687 S688 L692 N711 N712 | L663-N690 PolarHBondContact O-ND2 3.29Å; N666-N690 VanDerWaalsContact CA-OD1 3.25Å; N666-N690 WeakPolarHBondContact CA-OD1 3.46Å; N666-N690 WeakPolarHBondContact CB-OD1 3.43Å; N666-N690 PolarHBondContact N-OD1 2.86Å; N666-N690 PolarHBondContact O-OD1 2.89Å; Q667-N690 PolarHBondContact N-OD1 2.95Å; L668-N690 HydrophobicContact CB-CB 4.28Å; L668-N690 WeakPolarHBondContact CB-OD1 3.35Å; L668-N690 WeakPolarHBondContact CG-OD1 3.28Å; L668-N690 PolarHBondContact N-OD1 3.22Å; L687-N690 PolarHBondContact O-ND2 3.36Å; L687-N690 VanDerWaalsContact O-ND2 3.07Å; S688-N690 VanDerWaalsContact C-N 3.31Å; S688-N690 PolarHBondContact O-N 2.89Å; S688-N690 PolarHBondContact O-ND2 3.4Å; N690-L692 HydrophobicContact CB-CD1 4.37Å; N690-L692 HydrophobicContact CB-CG 3.97Å; N690-N711 PolarHBondContact N-O 3.36Å; N690-N712 VanDerWaalsContact CA-OD1 3.23Å; N690-N712 WeakPolarHBondContact CA-OD1 3.22Å; N690-N712 WeakPolarHBondContact CB-OD1 3.36Å; N690-N712 PolarHBondContact N-OD1 3.2Å; N690-N712 PolarHBondContact O-OD1 2.89Å |
| 691 | N | 97.6 | Very high | 96.4 | Very high | 53 Ų | 53 | 38.1 Ų | 38.1 | 28% | 0.283 | 21% | 0.212 | S | C | . | . | trans | -111.8 | 27.4 | 177.3 | -65.3 | -42.9 | 0 | 0 | 0 | 112.2 | L668 G693 N712 R713 | L668-N691 CarbonylContact O-C 3.14Å; L668-N691 VanDerWaalsContact O-CA 3.24Å; L668-N691 WeakPolarHBondContact O-CA 3.34Å; L668-N691 WeakPolarHBondContact O-CB 3.33Å; L668-N691 PolarHBondContact O-N 3.04Å; N691-G693 PolarHBondContact O-N 3.38Å; N691-G693 VanDerWaalsContact O-N 3.15Å; N691-N712 PolarHBondContact N-OD1 2.89Å; N691-R713 VanDerWaalsContact OD1-CZ 3.23Å; N691-R713 PolarHBondContact OD1-NE 2.79Å; N691-R713 PolarHBondContact OD1-NH2 2.91Å | ||
| 692 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -65.7 | 115.2 | -168.5 | -62 | 173 | 0 | 0 | 0 | 111.3 | L668 A669 T670 F671 L687 N690 I695 L709 N712 R713 L714 | L668-L692 HydrophobicContact CB-CD2 3.8Å; L668-L692 WeakPolarHBondContact O-CD2 3.21Å; L668-L692 PolarHBondContact O-N 3.24Å; A669-L692 WeakPolarHBondContact O-CA 3.46Å; T670-L692 VanDerWaalsContact C-CD2 3.41Å; F671-L692 HydrophobicContact CB-CD1 4.4Å; F671-L692 HydrophobicContact CB-CD2 3.81Å; L687-L692 HydrophobicContact CB-CD1 4.02Å; L687-L692 HydrophobicContact CD1-CD1 4.38Å; N690-L692 HydrophobicContact CB-CD1 4.37Å; N690-L692 HydrophobicContact CB-CG 3.97Å; L692-I695 HydrophobicContact CB-CG2 4.42Å; L692-I695 HydrophobicContact CD1-CG2 4.03Å; L692-L709 HydrophobicContact CD1-CD2 3.96Å; L692-N712 HydrophobicContact CB-CB 4.14Å; L692-N712 VanDerWaalsContact CB-OD1 3.29Å; L692-N712 WeakPolarHBondContact CB-OD1 3.3Å; L692-N712 VanDerWaalsContact CG-OD1 3.29Å; L692-N712 WeakPolarHBondContact CG-OD1 3.04Å; L692-N712 PolarHBondContact N-OD1 2.91Å; L692-R713 CarbonylContact O-C 3.53Å; L692-R713 VanDerWaalsContact O-CA 3.29Å; L692-R713 WeakPolarHBondContact O-CA 3.2Å; L692-R713 PolarHBondContact O-N 2.8Å; L692-L714 PolarHBondContact O-N 2.9Å; L692-L714 VanDerWaalsContact O-N 3.13Å | ||
| 693 | G | 94.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 44.1 Ų | 44.1 | 47% | 0.474 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -89.8 | -24.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A669 N691 | A669-G693 PolarHBondContact O-N 3.3Å; N691-G693 PolarHBondContact O-N 3.38Å; N691-G693 VanDerWaalsContact O-N 3.15Å |
| 694 | S | 92.7 | Very high | 96.4 | Very high | 63 Ų | 63 | 38 Ų | 38 | 44% | 0.441 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 158.3 | 176.9 | 63 | 0 | 0 | 0 | 0 | 111.3 | F671 | F671-S694 PolarHBondContact N-O 2.91Å |
| 695 | I | 95.9 | Very high | 96.4 | Very high | 24 Ų | 24 | 39 Ų | 39 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 149.1 | 179.4 | 58.8 | 160.7 | 0 | 0 | 0 | 111.4 | F671 L692 L697 L709 L714 M721 F722 | F671-I695 HydrophobicContact CB-CG2 4.18Å; F671-I695 CarbonylContact O-C 3.12Å; F671-I695 WeakPolarHBondContact O-CA 3.26Å; L692-I695 HydrophobicContact CB-CG2 4.42Å; L692-I695 HydrophobicContact CD1-CG2 4.03Å; I695-L697 HydrophobicContact CD1-CD1 3.91Å; I695-L697 HydrophobicContact CD1-CG 4.11Å; I695-L709 HydrophobicContact CD1-CD1 3.69Å; I695-L709 HydrophobicContact CD1-CD2 4.45Å; I695-L709 HydrophobicContact CG2-CD2 4.03Å; I695-L714 HydrophobicContact CG2-CD2 4.26Å; I695-M721 HydrophobicContact CD1-CG 3.8Å; I695-M721 HydrophobicContact CD1-SD 3.98Å; I695-M721 HydrophobicContact CG1-CE 4.2Å; I695-M721 HydrophobicContact CG1-CG 3.9Å; I695-M721 HydrophobicContact CG1-SD 3.99Å; I695-F722 HydrophobicContact CD1-CE1 4Å; I695-F722 HydrophobicContact CD1-CZ 4.12Å |
| 696 | S | 95.4 | Very high | 96.4 | Very high | 52 Ų | 52 | 43.1 Ų | 43.1 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 108.2 | 173.1 | 173.3 | 0 | 0 | 0 | 0 | 109.7 | F671 S673 | F671-S696 PolarHBondContact O-N 3.22Å; S673-S696 WeakPolarHBondContact CB-O 3.32Å; S673-S696 PolarHBondContact N-O 3.15Å; S673-S696 PolarHBondContact OG-O 2.99Å; S673-S696 VanDerWaalsContact OG-O 3.11Å |
| 697 | L | 95.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | trans | -101 | 11.7 | -173 | -62.3 | 174.8 | 0 | 0 | 0 | 114 | F671 I695 H699 L700 K701 L707 F722 M725 | F671-L697 HydrophobicContact CD1-CD2 4.21Å; F671-L697 HydrophobicContact CE1-CD2 3.94Å; I695-L697 HydrophobicContact CD1-CD1 3.91Å; I695-L697 HydrophobicContact CD1-CG 4.11Å; L697-H699 VanDerWaalsContact C-N 3.27Å; L697-H699 PolarHBondContact O-N 3.21Å; L697-L700 HydrophobicContact CD2-CD1 4.27Å; L697-L700 WeakPolarHBondContact O-CA 3.31Å; L697-L700 PolarHBondContact O-N 2.85Å; L697-K701 WeakPolarHBondContact O-CG 3.4Å; L697-K701 PolarHBondContact O-N 3.06Å; L697-L707 HydrophobicContact CD1-CD2 3.65Å; L697-F722 HydrophobicContact CD1-CD1 3.98Å; L697-F722 HydrophobicContact CD1-CE1 3.88Å; L697-M725 HydrophobicContact CD1-CE 4.2Å; L697-M725 HydrophobicContact CD1-SD 3.87Å | ||
| 698 | G | 93.5 | Very high | 96.4 | Very high | 44 Ų | 44 | 42.4 Ų | 42.4 | 45% | 0.454 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -41.9 | -43.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | S673 | S673-G698 PolarHBondContact OG-N 2.92Å; S673-G698 VanDerWaalsContact OG-N 3.1Å |
| 699 | H | 93.9 | Very high | 96.4 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 38% | 0.384 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -14.6 | -178.5 | -61.4 | -82.1 | 0 | 0 | 0 | 114.3 | S673 H674 R677 L697 | S673-H699 PolarHBondContact OG-N 3.13Å; H674-H699 VanDerWaalsContact CA-CD2 3.44Å; H674-H699 WeakPolarHBondContact CA-CD2 3.22Å; H674-H699 AromaticContact ND1-NE2 3.72Å; R677-H699 WeakPolarHBondContact CB-ND1 3.46Å; L697-H699 VanDerWaalsContact C-N 3.27Å; L697-H699 PolarHBondContact O-N 3.21Å |
| 700 | L | 95.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -12.4 | -179.5 | -58.8 | -175.7 | 0 | 0 | 0 | 113.6 | F671 L676 L682 I685 L697 K702 T703 L704 | F671-L700 HydrophobicContact CE1-CD1 4.43Å; L676-L700 HydrophobicContact CB-CD2 4Å; L676-L700 HydrophobicContact CD1-CD1 3.77Å; L676-L700 HydrophobicContact CD1-CD2 3.86Å; L676-L700 HydrophobicContact CD1-CG 4.15Å; L682-L700 HydrophobicContact CB-CD2 4.26Å; L682-L700 HydrophobicContact CD2-CD1 4.02Å; L682-L700 HydrophobicContact CD2-CD2 3.52Å; L682-L700 HydrophobicContact CD2-CG 4.39Å; I685-L700 HydrophobicContact CD1-CD1 4.18Å; L697-L700 HydrophobicContact CD2-CD1 4.27Å; L697-L700 WeakPolarHBondContact O-CA 3.31Å; L697-L700 PolarHBondContact O-N 2.85Å; L700-K702 VanDerWaalsContact C-N 3.25Å; L700-K702 PolarHBondContact O-N 3.02Å; L700-K702 VanDerWaalsContact O-N 3.13Å; L700-T703 PolarHBondContact O-N 2.59Å; L700-T703 VanDerWaalsContact O-N 3.08Å; L700-T703 PolarHBondContact O-OG1 2.8Å; L700-L704 PolarHBondContact O-N 2.83Å; L700-L704 VanDerWaalsContact O-N 3.13Å |
| 701 | K | 94.6 | Very high | 96.4 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 16% | 0.161 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -42.8 | -172.9 | -79.3 | -175.8 | 168.8 | -157.2 | 0 | 113 | L697 Q720 S723 D724 M725 | L697-K701 WeakPolarHBondContact O-CG 3.4Å; L697-K701 PolarHBondContact O-N 3.06Å; K701-Q720 PolarHBondContact NZ-O 3.44Å; K701-S723 WeakPolarHBondContact CD-O 3.35Å; K701-S723 WeakPolarHBondContact CE-O 3.31Å; K701-S723 PolarHBondContact NZ-O 2.86Å; K701-S723 PolarHBondContact NZ-OG 2.96Å; K701-D724 CarbonylContact C-O 3.59Å; K701-D724 WeakPolarHBondContact CB-O 3.17Å; K701-D724 HydrophobicContact CD-CB 4.28Å; K701-M725 HydrophobicContact CB-CG 4.15Å; K701-M725 HydrophobicContact CG-CG 3.92Å; K701-M725 HydrophobicContact CG-SD 4.49Å; K701-M725 VanDerWaalsContact O-CA 3.27Å; K701-M725 WeakPolarHBondContact O-CA 3.43Å |
| 702 | K | 94.3 | Very high | 96.4 | Very high | 170 Ų | 170 | 42.1 Ų | 42.1 | 74% | 0.739 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -13 | -176.3 | -65.7 | -176.7 | 178.6 | 179.3 | 0 | 115.5 | L700 M727 | L700-K702 VanDerWaalsContact C-N 3.25Å; L700-K702 PolarHBondContact O-N 3.02Å; L700-K702 VanDerWaalsContact O-N 3.13Å; K702-M727 WeakPolarHBondContact O-CG 3.16Å |
| 703 | T | 95.1 | Very high | 96.4 | Very high | 26 Ų | 26 | 48.4 Ų | 48.4 | 16% | 0.16 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -33.1 | -168.5 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | K680 L682 L700 | K680-T703 VanDerWaalsContact O-CG2 3.25Å; K680-T703 WeakPolarHBondContact O-CG2 3.19Å; L682-T703 CarbonylContact O-C 3.53Å; L682-T703 VanDerWaalsContact O-C 3.23Å; L682-T703 WeakPolarHBondContact O-CB 3.37Å; L682-T703 PolarHBondContact O-OG1 3.01Å; L700-T703 PolarHBondContact O-N 2.59Å; L700-T703 VanDerWaalsContact O-N 3.08Å; L700-T703 PolarHBondContact O-OG1 2.8Å |
| 704 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -69.8 | 132.2 | -168.1 | -156.3 | 70.9 | 0 | 0 | 0 | 112.2 | L682 I685 L700 L707 M725 M727 L728 | L682-L704 HydrophobicContact CD2-CD1 4.35Å; I685-L704 HydrophobicContact CB-CD1 4.18Å; I685-L704 HydrophobicContact CG2-CD1 3.75Å; I685-L704 HydrophobicContact CG2-CD2 3.84Å; I685-L704 HydrophobicContact CG2-CG 4.42Å; L700-L704 PolarHBondContact O-N 2.83Å; L700-L704 VanDerWaalsContact O-N 3.13Å; L704-L707 HydrophobicContact CD2-CB 3.73Å; L704-L707 HydrophobicContact CD2-CD1 4.17Å; L704-L707 HydrophobicContact CD2-CD2 4.08Å; L704-L707 HydrophobicContact CD2-CG 4.21Å; L704-M725 HydrophobicContact CB-CE 3.84Å; L704-M725 HydrophobicContact CD2-CE 3.82Å; L704-M725 HydrophobicContact CG-CE 4.46Å; L704-M727 CarbonylContact O-C 3.51Å; L704-L728 HydrophobicContact CD2-CD1 4.43Å; L704-L728 VanDerWaalsContact O-CA 3.31Å; L704-L728 WeakPolarHBondContact O-CA 3.46Å; L704-L728 PolarHBondContact O-N 2.97Å; L704-L728 VanDerWaalsContact O-N 3.1Å | ||
| 705 | M | 98.4 | Very high | 96.8 | Very high | 47 Ų | 47 | 49.8 Ų | 49.8 | 23% | 0.232 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -108.4 | -32.7 | 176.1 | -63 | -174.9 | -175 | 0 | 0 | 111.9 | R683 M727 R729 R730 | R683-M705 PolarHBondContact O-N 3.2Å; M705-M727 WeakPolarHBondContact CA-O 3.19Å; M705-M727 HydrophobicContact CE-CE 3.86Å; M705-M727 HydrophobicContact CG-CB 4.38Å; M705-R729 PolarHBondContact O-N 3.31Å; M705-R730 PolarHBondContact O-N 2.63Å; M705-R730 VanDerWaalsContact O-N 3.16Å |
| 706 | E | 98.7 | Very high | 96.8 | Very high | 88 Ų | 88 | 51.5 Ų | 51.5 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 131.1 | -178.5 | -58.9 | -174.8 | 172.2 | 0 | 0 | 110.8 | R683 S684 I685 R730 | R683-E706 PolarHBondContact O-N 2.9Å; S684-E706 WeakPolarHBondContact CA-O 3.48Å; I685-E706 PolarHBondContact N-O 2.99Å; E706-R730 WeakPolarHBondContact CA-O 3.38Å; E706-R730 HydrophobicContact CG-CB 4.3Å |
| 707 | L | 98.7 | Very high | 96.9 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 122.8 | 179 | 177.1 | 55 | 0 | 0 | 0 | 110.4 | I685 L687 L697 L704 L709 F722 L728 R730 L731 D732 | I685-L707 HydrophobicContact CG2-CD1 3.4Å; L687-L707 HydrophobicContact CD1-CD1 4.23Å; L697-L707 HydrophobicContact CD1-CD2 3.65Å; L704-L707 HydrophobicContact CD2-CB 3.73Å; L704-L707 HydrophobicContact CD2-CD1 4.17Å; L704-L707 HydrophobicContact CD2-CD2 4.08Å; L704-L707 HydrophobicContact CD2-CG 4.21Å; L707-L709 HydrophobicContact CD1-CD1 4.4Å; L707-L709 HydrophobicContact CD1-CG 4.05Å; L707-L709 HydrophobicContact CD2-CD1 3.86Å; L707-L709 HydrophobicContact CD2-CG 4.39Å; L707-L709 HydrophobicContact CG-CD1 4.04Å; L707-L709 HydrophobicContact CG-CG 4.07Å; L707-F722 HydrophobicContact CD2-CD1 4.43Å; L707-F722 HydrophobicContact CD2-CE1 3.75Å; L707-L728 HydrophobicContact CB-CD1 4.02Å; L707-R730 PolarHBondContact N-O 3.23Å; L707-L731 HydrophobicContact CB-CD1 3.89Å; L707-L731 HydrophobicContact CD2-CD1 3.79Å; L707-L731 HydrophobicContact CG-CD1 3.8Å; L707-L731 WeakPolarHBondContact O-CA 3.29Å; L707-D732 PolarHBondContact O-N 3.2Å |
| 708 | S | 98.7 | Very high | 96.8 | Very high | 24 Ų | 24 | 51.7 Ų | 51.7 | 17% | 0.168 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120.1 | 171.2 | 169.1 | 0 | 0 | 0 | 0 | 110.2 | I685 D686 L687 S688 | I685-S708 PolarHBondContact O-N 3.01Å; I685-S708 VanDerWaalsContact O-N 3.16Å; D686-S708 WeakPolarHBondContact OD1-CB 3.46Å; D686-S708 PolarHBondContact OD1-OG 3.22Å; L687-S708 CarbonylContact C-O 3.41Å; L687-S708 WeakPolarHBondContact CA-O 3.18Å; L687-S708 WeakPolarHBondContact CB-O 3.33Å; L687-S708 PolarHBondContact N-O 3.2Å; S688-S708 WeakPolarHBondContact CB-OG 3.08Å; S688-S708 PolarHBondContact N-O 3.33Å |
| 709 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -119.9 | 13.6 | 174.7 | -73.1 | 162.9 | 0 | 0 | 0 | 111.1 | L687 L692 I695 L707 N712 L714 F722 L731 D732 L733 N736 | L687-L709 HydrophobicContact CB-CD2 3.91Å; L687-L709 HydrophobicContact CD1-CD2 3.86Å; L692-L709 HydrophobicContact CD1-CD2 3.96Å; I695-L709 HydrophobicContact CD1-CD1 3.69Å; I695-L709 HydrophobicContact CD1-CD2 4.45Å; I695-L709 HydrophobicContact CG2-CD2 4.03Å; L707-L709 HydrophobicContact CD1-CD1 4.4Å; L707-L709 HydrophobicContact CD1-CG 4.05Å; L707-L709 HydrophobicContact CD2-CD1 3.86Å; L707-L709 HydrophobicContact CD2-CG 4.39Å; L707-L709 HydrophobicContact CG-CD1 4.04Å; L707-L709 HydrophobicContact CG-CG 4.07Å; L709-N712 PolarHBondContact O-ND2 3.38Å; L709-L714 HydrophobicContact CB-CD1 4.21Å; L709-L714 HydrophobicContact CD1-CD1 4.14Å; L709-L714 HydrophobicContact CD2-CD1 4.44Å; L709-F722 HydrophobicContact CD1-CE1 4.2Å; L709-F722 HydrophobicContact CD1-CZ 3.99Å; L709-L731 HydrophobicContact CD1-CD1 4.39Å; L709-D732 CarbonylContact C-O 3.49Å; L709-D732 WeakPolarHBondContact CA-O 3.46Å; L709-D732 WeakPolarHBondContact CB-O 3.31Å; L709-D732 PolarHBondContact N-O 2.82Å; L709-L733 HydrophobicContact CB-CD2 3.86Å; L709-L733 HydrophobicContact CD1-CD2 3.62Å; L709-L733 HydrophobicContact CG-CD2 4.41Å; L709-N736 PolarHBondContact O-ND2 3.42Å | ||
| 710 | R | 98.7 | Very high | 96.4 | Very high | 95 Ų | 95 | 58.1 Ų | 58.1 | 36% | 0.358 | 27% | 0.27 | S | S | . | . | trans | -52.6 | 142.9 | -177.8 | 173.1 | 173.4 | -179 | -176.5 | 9.4 | 112.4 | S688 R689 D732 S734 H735 | S688-R710 CarbonylContact C-O 3.02Å; S688-R710 WeakPolarHBondContact CA-O 3.49Å; S688-R710 WeakPolarHBondContact CB-O 3.38Å; R689-R710 PolarHBondContact N-O 3.05Å; R710-D732 PolarHBondContact N-O 3.41Å; R710-S734 CarbonylContact C-O 3.43Å; R710-S734 WeakPolarHBondContact CA-O 3.14Å; R710-S734 WeakPolarHBondContact CD-OG 3.25Å; R710-S734 VanDerWaalsContact CG-OG 3.28Å; R710-S734 WeakPolarHBondContact CG-OG 3.5Å; R710-H735 PolarHBondContact NE-CD2 3Å; R710-H735 PolarHBondContact NH2-NE2 3.42Å | ||
| 711 | N | 98.4 | Very high | 96.4 | Very high | 68 Ų | 68 | 59.4 Ų | 59.4 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 59.5 | 56.4 | 173.9 | -156.9 | 34.9 | 0 | 0 | 0 | 112.7 | R689 N690 S734 H735 | R689-N711 WeakPolarHBondContact CA-O 3.35Å; R689-N711 HydrophobicContact CG-CB 3.99Å; R689-N711 PolarHBondContact N-O 3.4Å; N690-N711 PolarHBondContact N-O 3.36Å; N711-S734 PolarHBondContact N-O 3.38Å; N711-H735 WeakPolarHBondContact CA-O 3.49Å; N711-H735 HydrophobicContact CB-CB 4.17Å; N711-H735 PolarHBondContact N-O 2.89Å |
| 712 | N | 98.7 | Very high | 96.4 | Very high | 9 Ų | 9 | 57.7 Ų | 57.7 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -125.6 | -159.9 | 174.9 | -87.5 | -72.4 | 0 | 0 | 0 | 109.7 | L687 N690 N691 L692 L709 H735 N736 | L687-N712 PolarHBondContact O-ND2 3.06Å; N690-N712 VanDerWaalsContact CA-OD1 3.23Å; N690-N712 WeakPolarHBondContact CA-OD1 3.22Å; N690-N712 WeakPolarHBondContact CB-OD1 3.36Å; N690-N712 PolarHBondContact N-OD1 3.2Å; N690-N712 PolarHBondContact O-OD1 2.89Å; N691-N712 PolarHBondContact N-OD1 2.89Å; L692-N712 HydrophobicContact CB-CB 4.14Å; L692-N712 VanDerWaalsContact CB-OD1 3.29Å; L692-N712 WeakPolarHBondContact CB-OD1 3.3Å; L692-N712 VanDerWaalsContact CG-OD1 3.29Å; L692-N712 WeakPolarHBondContact CG-OD1 3.04Å; L692-N712 PolarHBondContact N-OD1 2.91Å; L709-N712 PolarHBondContact O-ND2 3.38Å; N712-H735 PolarHBondContact N-O 3.28Å; N712-N736 VanDerWaalsContact CA-OD1 3.25Å; N712-N736 WeakPolarHBondContact CA-OD1 3.32Å; N712-N736 WeakPolarHBondContact CB-OD1 3.29Å; N712-N736 PolarHBondContact N-OD1 2.88Å; N712-N736 PolarHBondContact O-OD1 3.47Å |
| 713 | R | 97.9 | Very high | 96.2 | Very high | 133 Ų | 133 | 50.8 Ų | 50.8 | 50% | 0.502 | 24% | 0.242 | S | C | . | . | trans | -124.6 | 25.9 | -176.3 | -56.3 | -179.7 | -173.1 | -173.8 | 0.5 | 112.4 | N691 L692 K715 N736 L737 | N691-R713 VanDerWaalsContact OD1-CZ 3.23Å; N691-R713 PolarHBondContact OD1-NE 2.79Å; N691-R713 PolarHBondContact OD1-NH2 2.91Å; L692-R713 CarbonylContact O-C 3.53Å; L692-R713 VanDerWaalsContact O-CA 3.29Å; L692-R713 WeakPolarHBondContact O-CA 3.2Å; L692-R713 PolarHBondContact O-N 2.8Å; R713-K715 PolarHBondContact O-N 2.78Å; R713-N736 PolarHBondContact N-OD1 2.97Å; R713-L737 HydrophobicContact CB-CD1 4.25Å | ||
| 714 | L | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -65.4 | 133.5 | 179.4 | -61.8 | 169.2 | 0 | 0 | 0 | 109.2 | L692 I695 L709 L733 N736 L737 I738 | L692-L714 PolarHBondContact O-N 2.9Å; L692-L714 VanDerWaalsContact O-N 3.13Å; I695-L714 HydrophobicContact CG2-CD2 4.26Å; L709-L714 HydrophobicContact CB-CD1 4.21Å; L709-L714 HydrophobicContact CD1-CD1 4.14Å; L709-L714 HydrophobicContact CD2-CD1 4.44Å; L714-L733 HydrophobicContact CD1-CD2 3.74Å; L714-N736 HydrophobicContact CB-CB 4.31Å; L714-N736 WeakPolarHBondContact CB-OD1 3.21Å; L714-N736 PolarHBondContact N-OD1 3.45Å; L714-L737 CarbonylContact O-C 3.55Å; L714-L737 VanDerWaalsContact O-CA 3.26Å; L714-L737 WeakPolarHBondContact O-CA 3.39Å; L714-L737 PolarHBondContact O-N 3.27Å; L714-I738 HydrophobicContact CB-CD1 4.48Å; L714-I738 HydrophobicContact CB-CG1 4.13Å; L714-I738 WeakPolarHBondContact O-CG1 3.21Å; L714-I738 PolarHBondContact O-N 3.06Å | ||
| 715 | K | 97.6 | Very high | 95.9 | Very high | 138 Ų | 138 | 54.8 Ų | 54.8 | 60% | 0.6 | 26% | 0.263 | S | S | * | . | trans | -107 | -24.8 | -176 | -65.6 | -177.6 | -179.6 | 179.5 | 0 | 114 | R713 L737 I738 G739 | R713-K715 PolarHBondContact O-N 2.78Å; K715-L737 WeakPolarHBondContact CA-O 3.26Å; K715-L737 HydrophobicContact CG-CB 4.23Å; K715-I738 WeakPolarHBondContact O-CA 3.1Å; K715-G739 PolarHBondContact O-N 3.07Å | ||
| 716 | V | 96.2 | Very high | 95.7 | Very high | 59 Ų | 59 | 54.6 Ų | 54.6 | 36% | 0.358 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 142.3 | -171.3 | 174.5 | 0 | 0 | 0 | 0 | 108.5 | M721 H740 Y742 | V716-M721 WeakPolarHBondContact O-CE 3.32Å; V716-H740 WeakPolarHBondContact CA-O 3.21Å; V716-Y742 HydrophobicContact CG1-CD2 3.84Å; V716-Y742 HydrophobicContact CG1-CE2 3.52Å |
| 717 | V | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 115.8 | 164.2 | -178.2 | 0 | 0 | 0 | 0 | 108 | M721 F722 L733 I738 H740 V741 Y742 A745 W746 | V717-M721 HydrophobicContact CB-SD 4.48Å; V717-M721 HydrophobicContact CG1-SD 4.2Å; V717-M721 HydrophobicContact CG2-SD 4.28Å; V717-F722 HydrophobicContact CG1-CD2 3.78Å; V717-F722 HydrophobicContact CG1-CE2 3.65Å; V717-F722 HydrophobicContact CG2-CE2 4.47Å; V717-L733 HydrophobicContact CG2-CD1 4.2Å; V717-I738 HydrophobicContact CG2-CD1 3.93Å; V717-I738 HydrophobicContact CG2-CG2 4.26Å; V717-H740 PolarHBondContact N-O 3.1Å; V717-H740 VanDerWaalsContact N-O 3.1Å; V717-V741 HydrophobicContact CB-CB 4.49Å; V717-V741 HydrophobicContact CB-CG1 4.19Å; V717-V741 HydrophobicContact CB-CG2 4.17Å; V717-V741 HydrophobicContact CG1-CG1 4.41Å; V717-V741 HydrophobicContact CG2-CG2 4.38Å; V717-V741 WeakPolarHBondContact O-CA 3.49Å; V717-Y742 PolarHBondContact O-N 3.48Å; V717-A745 HydrophobicContact CG1-CB 3.96Å; V717-W746 HydrophobicContact CG1-CH2 3.88Å; V717-W746 HydrophobicContact CG1-CZ2 4.49Å; V717-W746 HydrophobicContact CG1-CZ3 4.1Å |
| 718 | D | 93.1 | Very high | 95.4 | Very high | 61 Ų | 61 | 52.9 Ų | 52.9 | 33% | 0.326 | 26% | 0.257 | S | S | . | . | trans | -101.3 | 176.3 | 178.4 | 66.7 | 31.8 | 0 | 0 | 0 | 112.6 | Q720 M721 Y742 | D718-Q720 PolarHBondContact O-N 2.88Å; D718-Q720 WeakPolarHBondContact OD1-CA 3.39Å; D718-Q720 PolarHBondContact OD1-N 3.46Å; D718-M721 PolarHBondContact OD1-N 2.94Å; D718-Y742 HydrophobicContact CB-CD2 3.95Å; D718-Y742 HydrophobicContact CB-CE2 4.47Å | ||
| 719 | E | 89.8 | Confident | 95.4 | Very high | 111 Ų | 111 | 58.5 Ų | 58.5 | 52% | 0.519 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20.9 | 179.1 | -67.1 | 173.6 | -137.7 | 0 | 0 | 113.7 | S723 P743 | E719-S723 WeakPolarHBondContact O-CB 3.43Å; E719-P743 WeakPolarHBondContact CG-O 3.32Å |
| 720 | Q | 90.5 | Very high | 95.3 | Very high | 151 Ų | 151 | 63.3 Ų | 63.3 | 71% | 0.706 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -30.2 | -175.3 | -63.8 | -173.5 | 10.2 | 0 | 0 | 112.6 | K701 D718 F722 S723 | K701-Q720 PolarHBondContact NZ-O 3.44Å; D718-Q720 PolarHBondContact O-N 2.88Å; D718-Q720 WeakPolarHBondContact OD1-CA 3.39Å; D718-Q720 PolarHBondContact OD1-N 3.46Å; Q720-F722 PolarHBondContact O-N 2.86Å; Q720-S723 WeakPolarHBondContact CA-OG 3.32Å; Q720-S723 PolarHBondContact O-N 3.29Å; Q720-S723 PolarHBondContact O-OG 2.97Å |
| 721 | M | 93.8 | Very high | 95.3 | Very high | 27 Ų | 27 | 58.8 Ų | 58.8 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -46.2 | -173.3 | -172.6 | 173.6 | -71.8 | 0 | 0 | 113.3 | I695 V716 V717 D718 | I695-M721 HydrophobicContact CD1-CG 3.8Å; I695-M721 HydrophobicContact CD1-SD 3.98Å; I695-M721 HydrophobicContact CG1-CE 4.2Å; I695-M721 HydrophobicContact CG1-CG 3.9Å; I695-M721 HydrophobicContact CG1-SD 3.99Å; V716-M721 WeakPolarHBondContact O-CE 3.32Å; V717-M721 HydrophobicContact CB-SD 4.48Å; V717-M721 HydrophobicContact CG1-SD 4.2Å; V717-M721 HydrophobicContact CG2-SD 4.28Å; D718-M721 PolarHBondContact OD1-N 2.94Å |
| 722 | F | 94.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 20 | 178.9 | -53.5 | -67.4 | 0 | 0 | 0 | 113.3 | I695 L697 L707 L709 V717 Q720 M725 L731 L733 W746 | I695-F722 HydrophobicContact CD1-CE1 4Å; I695-F722 HydrophobicContact CD1-CZ 4.12Å; L697-F722 HydrophobicContact CD1-CD1 3.98Å; L697-F722 HydrophobicContact CD1-CE1 3.88Å; L707-F722 HydrophobicContact CD2-CD1 4.43Å; L707-F722 HydrophobicContact CD2-CE1 3.75Å; L709-F722 HydrophobicContact CD1-CE1 4.2Å; L709-F722 HydrophobicContact CD1-CZ 3.99Å; V717-F722 HydrophobicContact CG1-CD2 3.78Å; V717-F722 HydrophobicContact CG1-CE2 3.65Å; V717-F722 HydrophobicContact CG2-CE2 4.47Å; Q720-F722 PolarHBondContact O-N 2.86Å; F722-M725 HydrophobicContact CB-SD 4.26Å; F722-M725 HydrophobicContact CD1-SD 3.89Å; F722-L731 HydrophobicContact CD1-CD2 4.25Å; F722-L731 HydrophobicContact CD2-CD2 4.09Å; F722-L731 HydrophobicContact CE1-CD1 4.03Å; F722-L731 HydrophobicContact CE1-CD2 4.07Å; F722-L731 HydrophobicContact CE2-CD2 3.88Å; F722-L731 HydrophobicContact CG-CD2 4.27Å; F722-L731 HydrophobicContact CZ-CD1 4.11Å; F722-L731 HydrophobicContact CZ-CD2 3.87Å; F722-L733 HydrophobicContact CE2-CD1 4Å; F722-L733 HydrophobicContact CZ-CD1 4.21Å; F722-L733 HydrophobicContact CZ-CD2 4.19Å; F722-W746 HydrophobicContact CD2-CE3 4.01Å; F722-W746 HydrophobicContact CD2-CH2 4.45Å; F722-W746 AromaticContact CD2-CZ3 3.49Å; F722-W746 HydrophobicContact CD2-CZ3 3.49Å; F722-W746 VanDerWaalsContact CD2-CZ3 3.49Å; F722-W746 HydrophobicContact CE2-CH2 4.43Å; F722-W746 AromaticContact CE2-CZ3 3.78Å; F722-W746 HydrophobicContact CE2-CZ3 3.78Å; F722-W746 HydrophobicContact CG-CZ3 4.4Å |
| 723 | S | 90.5 | Very high | 95.3 | Very high | 25 Ų | 25 | 56.6 Ų | 56.6 | 18% | 0.175 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 148.4 | 171.8 | 54.3 | 0 | 0 | 0 | 0 | 111.3 | K701 E719 Q720 M725 | K701-S723 WeakPolarHBondContact CD-O 3.35Å; K701-S723 WeakPolarHBondContact CE-O 3.31Å; K701-S723 PolarHBondContact NZ-O 2.86Å; K701-S723 PolarHBondContact NZ-OG 2.96Å; E719-S723 WeakPolarHBondContact O-CB 3.43Å; Q720-S723 WeakPolarHBondContact CA-OG 3.32Å; Q720-S723 PolarHBondContact O-N 3.29Å; Q720-S723 PolarHBondContact O-OG 2.97Å; S723-M725 VanDerWaalsContact C-N 3.32Å; S723-M725 PolarHBondContact O-N 3.1Å |
| 724 | D | 91.2 | Very high | 95.4 | Very high | 111 Ų | 111 | 50.5 Ų | 50.5 | 59% | 0.594 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 35.4 | 179.9 | -49.2 | -44.3 | 0 | 0 | 0 | 115.4 | K701 P726 | K701-D724 CarbonylContact C-O 3.59Å; K701-D724 WeakPolarHBondContact CB-O 3.17Å; K701-D724 HydrophobicContact CD-CB 4.28Å; D724-P726 WeakPolarHBondContact O-CD 3.15Å |
| 725 | M | 95.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -103.9 | 59.9 | 176.6 | -59.1 | -161.6 | 70.7 | 0 | 0 | 114.7 | L697 K701 L704 F722 S723 M727 L728 G748 A749 | L697-M725 HydrophobicContact CD1-CE 4.2Å; L697-M725 HydrophobicContact CD1-SD 3.87Å; K701-M725 HydrophobicContact CB-CG 4.15Å; K701-M725 HydrophobicContact CG-CG 3.92Å; K701-M725 HydrophobicContact CG-SD 4.49Å; K701-M725 VanDerWaalsContact O-CA 3.27Å; K701-M725 WeakPolarHBondContact O-CA 3.43Å; L704-M725 HydrophobicContact CB-CE 3.84Å; L704-M725 HydrophobicContact CD2-CE 3.82Å; L704-M725 HydrophobicContact CG-CE 4.46Å; F722-M725 HydrophobicContact CB-SD 4.26Å; F722-M725 HydrophobicContact CD1-SD 3.89Å; S723-M725 VanDerWaalsContact C-N 3.32Å; S723-M725 PolarHBondContact O-N 3.1Å; M725-M727 PolarHBondContact O-N 2.83Å; M725-L728 HydrophobicContact CB-CB 4.06Å; M725-L728 HydrophobicContact CB-CD2 4.48Å; M725-L728 HydrophobicContact CE-CD1 4.38Å; M725-L728 HydrophobicContact CE-CD2 4.39Å; M725-L728 WeakPolarHBondContact O-CB 3.39Å; M725-L728 PolarHBondContact O-N 3.41Å; M725-L728 VanDerWaalsContact O-N 3.12Å; M725-L728 HydrophobicContact SD-CD2 4.32Å; M725-G748 CarbonylContact C-O 3.52Å; M725-G748 PolarHBondContact N-O 3.27Å; M725-A749 HydrophobicContact CB-CB 4.41Å; M725-A749 WeakPolarHBondContact O-CA 3.21Å | ||
| 726 | P | 94 | Very high | 95.4 | Very high | 43 Ų | 43 | 48 Ų | 48 | 28% | 0.279 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -7.8 | -166.5 | 32 | -39.8 | 0 | 0 | 0 | 115.1 | D724 R751 | D724-P726 WeakPolarHBondContact O-CD 3.15Å; P726-R751 VanDerWaalsContact O-CD 3.23Å; P726-R751 WeakPolarHBondContact O-CD 3.34Å; P726-R751 VanDerWaalsContact O-CG 3.23Å; P726-R751 WeakPolarHBondContact O-CG 3.32Å; P726-R751 PolarHBondContact O-NH1 3.11Å |
| 727 | M | 95.5 | Very high | 95.5 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 28% | 0.276 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -12.1 | 179.6 | -60.4 | -54.3 | -69.3 | 0 | 0 | 113.1 | K702 L704 M705 M725 R729 | K702-M727 WeakPolarHBondContact O-CG 3.16Å; L704-M727 CarbonylContact O-C 3.51Å; M705-M727 WeakPolarHBondContact CA-O 3.19Å; M705-M727 HydrophobicContact CE-CE 3.86Å; M705-M727 HydrophobicContact CG-CB 4.38Å; M725-M727 PolarHBondContact O-N 2.83Å; M727-R729 PolarHBondContact O-N 3Å |
| 728 | L | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -65.8 | 126.5 | -176.3 | -170.1 | 68.6 | 0 | 0 | 0 | 109.8 | L704 L707 M725 L731 A749 R751 L752 | L704-L728 HydrophobicContact CD2-CD1 4.43Å; L704-L728 VanDerWaalsContact O-CA 3.31Å; L704-L728 WeakPolarHBondContact O-CA 3.46Å; L704-L728 PolarHBondContact O-N 2.97Å; L704-L728 VanDerWaalsContact O-N 3.1Å; L707-L728 HydrophobicContact CB-CD1 4.02Å; M725-L728 HydrophobicContact CB-CB 4.06Å; M725-L728 HydrophobicContact CB-CD2 4.48Å; M725-L728 HydrophobicContact CE-CD1 4.38Å; M725-L728 HydrophobicContact CE-CD2 4.39Å; M725-L728 WeakPolarHBondContact O-CB 3.39Å; M725-L728 PolarHBondContact O-N 3.41Å; M725-L728 VanDerWaalsContact O-N 3.12Å; M725-L728 HydrophobicContact SD-CD2 4.32Å; L728-L731 HydrophobicContact CD2-CB 4.33Å; L728-L731 HydrophobicContact CD2-CD2 4.3Å; L728-A749 HydrophobicContact CD2-CB 4.34Å; L728-R751 CarbonylContact O-C 2.97Å; L728-L752 HydrophobicContact CD2-CD1 4.36Å; L728-L752 HydrophobicContact CG-CD1 4.27Å; L728-L752 VanDerWaalsContact O-CA 3.28Å; L728-L752 WeakPolarHBondContact O-CA 3.5Å; L728-L752 PolarHBondContact O-N 2.61Å | ||
| 729 | R | 96.9 | Very high | 95.8 | Very high | 141 Ų | 141 | 47.8 Ų | 47.8 | 53% | 0.532 | 24% | 0.237 | S | C | . | . | trans | -116.5 | -38.2 | -178.3 | -67.8 | -175.1 | -179.3 | -156.1 | -0.1 | 112.7 | M705 M727 A753 E754 | M705-R729 PolarHBondContact O-N 3.31Å; M727-R729 PolarHBondContact O-N 3Å; R729-A753 PolarHBondContact O-N 3.44Å; R729-E754 PolarHBondContact O-N 2.96Å | ||
| 730 | R | 98.4 | Very high | 96 | Very high | 101 Ų | 101 | 44.6 Ų | 44.6 | 38% | 0.381 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.7 | 179.6 | -179.7 | 178.5 | -74.8 | 161.3 | -1 | 110.6 | M705 E706 L707 E754 Y756 | M705-R730 PolarHBondContact O-N 2.63Å; M705-R730 VanDerWaalsContact O-N 3.16Å; E706-R730 WeakPolarHBondContact CA-O 3.38Å; E706-R730 HydrophobicContact CG-CB 4.3Å; L707-R730 PolarHBondContact N-O 3.23Å; R730-E754 HydrophobicContact CB-CB 4.49Å; R730-E754 HydrophobicContact CG-CB 4.31Å; R730-E754 IonicContact CZ-OE1 3.9Å; R730-E754 IonicContact CZ-OE2 3.46Å; R730-E754 VanDerWaalsContact CZ-OE2 3.28Å; R730-E754 IonicContact NE-OE1 2.73Å; R730-E754 IonicContact NE-OE2 3.38Å; R730-E754 PolarHBondContact NE-OE2 2.72Å; R730-E754 VanDerWaalsContact NH2-CD 3.33Å; R730-E754 IonicContact NH2-OE1 2.92Å; R730-E754 PolarHBondContact NH2-OE1 3.16Å; R730-E754 IonicContact NH2-OE2 2.68Å; R730-E754 PolarHBondContact NH2-OE2 2.87Å; R730-Y756 HydrophobicContact CG-CE2 4.32Å |
| 731 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 119.6 | 176.7 | 178.6 | 57.7 | 0 | 0 | 0 | 110.4 | L707 L709 F722 L728 L733 W746 L752 E754 L755 Y756 | L707-L731 HydrophobicContact CB-CD1 3.89Å; L707-L731 HydrophobicContact CD2-CD1 3.79Å; L707-L731 HydrophobicContact CG-CD1 3.8Å; L707-L731 WeakPolarHBondContact O-CA 3.29Å; L709-L731 HydrophobicContact CD1-CD1 4.39Å; F722-L731 HydrophobicContact CD1-CD2 4.25Å; F722-L731 HydrophobicContact CD2-CD2 4.09Å; F722-L731 HydrophobicContact CE1-CD1 4.03Å; F722-L731 HydrophobicContact CE1-CD2 4.07Å; F722-L731 HydrophobicContact CE2-CD2 3.88Å; F722-L731 HydrophobicContact CG-CD2 4.27Å; F722-L731 HydrophobicContact CZ-CD1 4.11Å; F722-L731 HydrophobicContact CZ-CD2 3.87Å; L728-L731 HydrophobicContact CD2-CB 4.33Å; L728-L731 HydrophobicContact CD2-CD2 4.3Å; L731-L733 HydrophobicContact CD1-CD1 4.48Å; L731-L733 HydrophobicContact CD1-CG 4.2Å; L731-L733 HydrophobicContact CD2-CD1 3.85Å; L731-L733 HydrophobicContact CD2-CG 4.43Å; L731-L733 HydrophobicContact CG-CD1 4.03Å; L731-L733 HydrophobicContact CG-CG 4.1Å; L731-W746 HydrophobicContact CD2-CE3 4.25Å; L731-W746 HydrophobicContact CD2-CH2 4.38Å; L731-W746 HydrophobicContact CD2-CZ3 3.55Å; L731-L752 HydrophobicContact CB-CD1 3.8Å; L731-E754 PolarHBondContact N-O 2.72Å; L731-L755 HydrophobicContact CB-CD1 4.12Å; L731-L755 HydrophobicContact CD2-CD1 3.93Å; L731-L755 HydrophobicContact CG-CD1 4.03Å; L731-Y756 PolarHBondContact O-N 3.3Å |
| 732 | D | 98.8 | Very high | 96.2 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 17% | 0.166 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 112 | 174.5 | -174.2 | -3.1 | 0 | 0 | 0 | 110.9 | L707 L709 R710 S734 Y756 | L707-D732 PolarHBondContact O-N 3.2Å; L709-D732 CarbonylContact C-O 3.49Å; L709-D732 WeakPolarHBondContact CA-O 3.46Å; L709-D732 WeakPolarHBondContact CB-O 3.31Å; L709-D732 PolarHBondContact N-O 2.82Å; R710-D732 PolarHBondContact N-O 3.41Å; D732-S734 WeakPolarHBondContact OD1-CB 3.43Å; D732-S734 PolarHBondContact OD1-N 3.16Å; D732-S734 PolarHBondContact OD1-OG 3.43Å; D732-Y756 HydrophobicContact CB-CD2 4.38Å |
| 733 | L | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -113.7 | 13 | 176.1 | -73.9 | 163.1 | 0 | 0 | 0 | 111.8 | L709 L714 V717 F722 L731 N736 I738 W746 L755 Y756 L757 N760 | L709-L733 HydrophobicContact CB-CD2 3.86Å; L709-L733 HydrophobicContact CD1-CD2 3.62Å; L709-L733 HydrophobicContact CG-CD2 4.41Å; L714-L733 HydrophobicContact CD1-CD2 3.74Å; V717-L733 HydrophobicContact CG2-CD1 4.2Å; F722-L733 HydrophobicContact CE2-CD1 4Å; F722-L733 HydrophobicContact CZ-CD1 4.21Å; F722-L733 HydrophobicContact CZ-CD2 4.19Å; L731-L733 HydrophobicContact CD1-CD1 4.48Å; L731-L733 HydrophobicContact CD1-CG 4.2Å; L731-L733 HydrophobicContact CD2-CD1 3.85Å; L731-L733 HydrophobicContact CD2-CG 4.43Å; L731-L733 HydrophobicContact CG-CD1 4.03Å; L731-L733 HydrophobicContact CG-CG 4.1Å; L733-N736 PolarHBondContact O-ND2 3.34Å; L733-I738 HydrophobicContact CB-CD1 4.04Å; L733-I738 HydrophobicContact CD2-CD1 4.22Å; L733-W746 HydrophobicContact CD1-CH2 3.87Å; L733-W746 HydrophobicContact CD1-CZ3 4.24Å; L733-L755 HydrophobicContact CD1-CD1 4.37Å; L733-Y756 CarbonylContact C-O 3.57Å; L733-Y756 WeakPolarHBondContact CA-O 3.26Å; L733-Y756 WeakPolarHBondContact CB-O 3.18Å; L733-Y756 PolarHBondContact N-O 2.86Å; L733-L757 HydrophobicContact CB-CD2 3.74Å; L733-L757 HydrophobicContact CB-CG 4.46Å; L733-L757 HydrophobicContact CD1-CD2 3.88Å; L733-L757 HydrophobicContact CG-CD2 4.48Å; L733-N760 PolarHBondContact O-ND2 2.75Å | ||
| 734 | S | 98.7 | Very high | 95.9 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 4% | 0.035 | 21% | 0.211 | C | C | . | . | trans | -62.1 | 156.6 | -175.8 | 63 | 0 | 0 | 0 | 0 | 112.6 | R710 N711 D732 N736 Y756 S758 | R710-S734 CarbonylContact C-O 3.43Å; R710-S734 WeakPolarHBondContact CA-O 3.14Å; R710-S734 WeakPolarHBondContact CD-OG 3.25Å; R710-S734 VanDerWaalsContact CG-OG 3.28Å; R710-S734 WeakPolarHBondContact CG-OG 3.5Å; N711-S734 PolarHBondContact N-O 3.38Å; D732-S734 WeakPolarHBondContact OD1-CB 3.43Å; D732-S734 PolarHBondContact OD1-N 3.16Å; D732-S734 PolarHBondContact OD1-OG 3.43Å; S734-N736 PolarHBondContact O-N 2.99Å; S734-N736 PolarHBondContact O-ND2 3.27Å; S734-Y756 PolarHBondContact N-O 3.13Å; S734-S758 CarbonylContact C-O 3.53Å; S734-S758 WeakPolarHBondContact CA-O 3.45Å; S734-S758 WeakPolarHBondContact CB-O 3.46Å | ||
| 735 | H | 98.4 | Very high | 96 | Very high | 79 Ų | 79 | 37.4 Ų | 37.4 | 37% | 0.366 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 55.8 | 44.8 | 179.6 | -59.3 | -88.4 | 0 | 0 | 0 | 113.6 | R710 N711 N712 S758 A759 | R710-H735 PolarHBondContact NE-CD2 3Å; R710-H735 PolarHBondContact NH2-NE2 3.42Å; N711-H735 WeakPolarHBondContact CA-O 3.49Å; N711-H735 HydrophobicContact CB-CB 4.17Å; N711-H735 PolarHBondContact N-O 2.89Å; N712-H735 PolarHBondContact N-O 3.28Å; H735-S758 PolarHBondContact N-O 3.3Å; H735-A759 WeakPolarHBondContact CA-O 3.37Å; H735-A759 HydrophobicContact CB-CB 4.49Å; H735-A759 PolarHBondContact N-O 2.87Å; H735-A759 WeakPolarHBondContact ND1-CB 3.36Å |
| 736 | N | 98.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -111 | -164.9 | 171.8 | -86.6 | -87.3 | 0 | 0 | 0 | 110 | L709 N712 R713 L714 L733 S734 I738 A759 N760 | L709-N736 PolarHBondContact O-ND2 3.42Å; N712-N736 VanDerWaalsContact CA-OD1 3.25Å; N712-N736 WeakPolarHBondContact CA-OD1 3.32Å; N712-N736 WeakPolarHBondContact CB-OD1 3.29Å; N712-N736 PolarHBondContact N-OD1 2.88Å; N712-N736 PolarHBondContact O-OD1 3.47Å; R713-N736 PolarHBondContact N-OD1 2.97Å; L714-N736 HydrophobicContact CB-CB 4.31Å; L714-N736 WeakPolarHBondContact CB-OD1 3.21Å; L714-N736 PolarHBondContact N-OD1 3.45Å; L733-N736 PolarHBondContact O-ND2 3.34Å; S734-N736 PolarHBondContact O-N 2.99Å; S734-N736 PolarHBondContact O-ND2 3.27Å; N736-I738 HydrophobicContact CB-CD1 4.03Å; N736-I738 HydrophobicContact CB-CG1 3.9Å; N736-A759 PolarHBondContact N-O 3.4Å; N736-N760 WeakPolarHBondContact CA-OD1 3.45Å; N736-N760 WeakPolarHBondContact CB-OD1 3.4Å; N736-N760 PolarHBondContact N-OD1 3.36Å; N736-N760 PolarHBondContact O-OD1 2.99Å |
| 737 | L | 98 | Very high | 95.5 | Very high | 83 Ų | 83 | 38.5 Ų | 38.5 | 44% | 0.435 | 19% | 0.187 | S | C | . | . | trans | -111.9 | 27.1 | 177 | -58.8 | 177 | 0 | 0 | 0 | 111.1 | R713 L714 K715 G739 N760 | R713-L737 HydrophobicContact CB-CD1 4.25Å; L714-L737 CarbonylContact O-C 3.55Å; L714-L737 VanDerWaalsContact O-CA 3.26Å; L714-L737 WeakPolarHBondContact O-CA 3.39Å; L714-L737 PolarHBondContact O-N 3.27Å; K715-L737 WeakPolarHBondContact CA-O 3.26Å; K715-L737 HydrophobicContact CG-CB 4.23Å; L737-G739 PolarHBondContact O-N 2.97Å; L737-G739 VanDerWaalsContact O-N 3.09Å; L737-N760 PolarHBondContact N-OD1 2.76Å | ||
| 738 | I | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -70 | 111.8 | -169.2 | -59.3 | 166.1 | 0 | 0 | 0 | 108.7 | L714 K715 V717 L733 N736 V741 L757 N760 M761 L762 | L714-I738 HydrophobicContact CB-CD1 4.48Å; L714-I738 HydrophobicContact CB-CG1 4.13Å; L714-I738 WeakPolarHBondContact O-CG1 3.21Å; L714-I738 PolarHBondContact O-N 3.06Å; K715-I738 WeakPolarHBondContact O-CA 3.1Å; V717-I738 HydrophobicContact CG2-CD1 3.93Å; V717-I738 HydrophobicContact CG2-CG2 4.26Å; L733-I738 HydrophobicContact CB-CD1 4.04Å; L733-I738 HydrophobicContact CD2-CD1 4.22Å; N736-I738 HydrophobicContact CB-CD1 4.03Å; N736-I738 HydrophobicContact CB-CG1 3.9Å; I738-V741 HydrophobicContact CG2-CG2 4.09Å; I738-L757 HydrophobicContact CD1-CD2 3.94Å; I738-N760 HydrophobicContact CB-CB 4.25Å; I738-N760 VanDerWaalsContact CB-OD1 3.3Å; I738-N760 WeakPolarHBondContact CB-OD1 3.33Å; I738-N760 WeakPolarHBondContact CG1-OD1 3.38Å; I738-N760 PolarHBondContact N-OD1 2.94Å; I738-M761 CarbonylContact O-C 3.32Å; I738-M761 WeakPolarHBondContact O-CA 3.5Å; I738-M761 PolarHBondContact O-N 2.91Å; I738-L762 HydrophobicContact CG2-CD2 3.99Å; I738-L762 PolarHBondContact O-N 2.81Å; I738-L762 VanDerWaalsContact O-N 3.16Å | ||
| 739 | G | 96.3 | Very high | 95.1 | Very high | 32 Ų | 32 | 36.7 Ų | 36.7 | 33% | 0.33 | 18% | 0.182 | S | C | . | . | trans | -94 | -19.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K715 L737 | K715-G739 PolarHBondContact O-N 3.07Å; L737-G739 PolarHBondContact O-N 2.97Å; L737-G739 VanDerWaalsContact O-N 3.09Å | ||
| 740 | H | 93.8 | Very high | 94.8 | Very high | 43 Ų | 43 | 33.1 Ų | 33.1 | 20% | 0.199 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 137.1 | -175.6 | -173.1 | -88.9 | 0 | 0 | 0 | 112.3 | V716 V717 Y742 K766 | V716-H740 WeakPolarHBondContact CA-O 3.21Å; V717-H740 PolarHBondContact N-O 3.1Å; V717-H740 VanDerWaalsContact N-O 3.1Å; H740-Y742 AromaticContact CE1-CD1 3.7Å; H740-Y742 AromaticContact CE1-CD2 3.77Å; H740-Y742 AromaticContact CE1-CE1 3.88Å; H740-Y742 AromaticContact CE1-CE2 3.93Å; H740-Y742 AromaticContact CE1-CG 3.65Å; H740-Y742 AromaticContact CE1-CZ 3.99Å; H740-Y742 AromaticContact ND1-CD2 3.46Å; H740-Y742 WeakPolarHBondContact ND1-CD2 3.31Å; H740-Y742 AromaticContact ND1-CE2 3.56Å; H740-Y742 AromaticContact ND1-CG 3.82Å; H740-K766 PolarHBondContact NE2-NZ 3.31Å |
| 741 | V | 96 | Very high | 94.5 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.9 | 167.4 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | V717 I738 A745 W746 L762 T769 | V717-V741 HydrophobicContact CB-CB 4.49Å; V717-V741 HydrophobicContact CB-CG1 4.19Å; V717-V741 HydrophobicContact CB-CG2 4.17Å; V717-V741 HydrophobicContact CG1-CG1 4.41Å; V717-V741 HydrophobicContact CG2-CG2 4.38Å; V717-V741 WeakPolarHBondContact O-CA 3.49Å; I738-V741 HydrophobicContact CG2-CG2 4.09Å; V741-A745 HydrophobicContact CG1-CB 3.64Å; V741-W746 HydrophobicContact CG1-CH2 4.48Å; V741-W746 HydrophobicContact CG1-CZ2 3.63Å; V741-L762 HydrophobicContact CG2-CD2 4.09Å; V741-T769 HydrophobicContact CB-CG2 3.9Å; V741-T769 HydrophobicContact CG1-CG2 3.74Å |
| 742 | Y | 93.4 | Very high | 94.3 | Very high | 107 Ų | 107 | 34 Ų | 34 | 42% | 0.42 | 18% | 0.179 | S | C | . | . | trans | -68.5 | 144.6 | 179.2 | -77.7 | -95 | 0 | 0 | 0 | 111.6 | V716 V717 D718 H740 G744 A745 | V716-Y742 HydrophobicContact CG1-CD2 3.84Å; V716-Y742 HydrophobicContact CG1-CE2 3.52Å; V717-Y742 PolarHBondContact O-N 3.48Å; D718-Y742 HydrophobicContact CB-CD2 3.95Å; D718-Y742 HydrophobicContact CB-CE2 4.47Å; H740-Y742 AromaticContact CE1-CD1 3.7Å; H740-Y742 AromaticContact CE1-CD2 3.77Å; H740-Y742 AromaticContact CE1-CE1 3.88Å; H740-Y742 AromaticContact CE1-CE2 3.93Å; H740-Y742 AromaticContact CE1-CG 3.65Å; H740-Y742 AromaticContact CE1-CZ 3.99Å; H740-Y742 AromaticContact ND1-CD2 3.46Å; H740-Y742 WeakPolarHBondContact ND1-CD2 3.31Å; H740-Y742 AromaticContact ND1-CE2 3.56Å; H740-Y742 AromaticContact ND1-CG 3.82Å; Y742-G744 PolarHBondContact O-N 3.09Å; Y742-A745 VanDerWaalsContact O-CB 3.27Å; Y742-A745 WeakPolarHBondContact O-CB 3.39Å; Y742-A745 PolarHBondContact O-N 2.91Å | ||
| 743 | P | 90.6 | Very high | 94.1 | Very high | 43 Ų | 43 | 33.9 Ų | 33.9 | 28% | 0.279 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 135.9 | 168.3 | -27.6 | 36.8 | 0 | 0 | 0 | 111.6 | E719 A745 K766 G768 | E719-P743 WeakPolarHBondContact CG-O 3.32Å; P743-A745 VanDerWaalsContact C-N 3.32Å; P743-A745 PolarHBondContact O-N 2.94Å; P743-K766 HydrophobicContact CG-CB 4.39Å; P743-G768 WeakPolarHBondContact CA-O 3.39Å |
| 744 | G | 88.1 | Confident | 94.1 | Very high | 6 Ų | 6 | 35.9 Ų | 35.9 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 5.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y742 W746 N747 G768 | Y742-G744 PolarHBondContact O-N 3.09Å; G744-W746 PolarHBondContact O-N 2.98Å; G744-N747 WeakPolarHBondContact CA-ND2 3.44Å; G744-N747 WeakPolarHBondContact O-CB 3.47Å; G744-N747 PolarHBondContact O-N 2.79Å; G744-N747 PolarHBondContact O-ND2 3.32Å; G744-G768 PolarHBondContact N-O 2.96Å |
| 745 | A | 92.6 | Very high | 94 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -28.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V717 V741 Y742 P743 | V717-A745 HydrophobicContact CG1-CB 3.96Å; V741-A745 HydrophobicContact CG1-CB 3.64Å; Y742-A745 VanDerWaalsContact O-CB 3.27Å; Y742-A745 WeakPolarHBondContact O-CB 3.39Å; Y742-A745 PolarHBondContact O-N 2.91Å; P743-A745 VanDerWaalsContact C-N 3.32Å; P743-A745 PolarHBondContact O-N 2.94Å |
| 746 | W | 92.1 | Very high | 94 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 3.1 | -174.9 | -34.4 | 108.3 | 0 | 0 | 0 | 114.1 | V717 F722 L731 L733 V741 G744 G748 A749 L752 L755 L757 T769 F770 | V717-W746 HydrophobicContact CG1-CH2 3.88Å; V717-W746 HydrophobicContact CG1-CZ2 4.49Å; V717-W746 HydrophobicContact CG1-CZ3 4.1Å; F722-W746 HydrophobicContact CD2-CE3 4.01Å; F722-W746 HydrophobicContact CD2-CH2 4.45Å; F722-W746 AromaticContact CD2-CZ3 3.49Å; F722-W746 HydrophobicContact CD2-CZ3 3.49Å; F722-W746 VanDerWaalsContact CD2-CZ3 3.49Å; F722-W746 HydrophobicContact CE2-CH2 4.43Å; F722-W746 AromaticContact CE2-CZ3 3.78Å; F722-W746 HydrophobicContact CE2-CZ3 3.78Å; F722-W746 HydrophobicContact CG-CZ3 4.4Å; L731-W746 HydrophobicContact CD2-CE3 4.25Å; L731-W746 HydrophobicContact CD2-CH2 4.38Å; L731-W746 HydrophobicContact CD2-CZ3 3.55Å; L733-W746 HydrophobicContact CD1-CH2 3.87Å; L733-W746 HydrophobicContact CD1-CZ3 4.24Å; V741-W746 HydrophobicContact CG1-CH2 4.48Å; V741-W746 HydrophobicContact CG1-CZ2 3.63Å; G744-W746 PolarHBondContact O-N 2.98Å; W746-G748 PolarHBondContact O-N 3.06Å; W746-A749 PolarHBondContact O-N 3.17Å; W746-L752 HydrophobicContact CD2-CD2 4.42Å; W746-L752 HydrophobicContact CE3-CD2 4.11Å; W746-L755 HydrophobicContact CD2-CD2 4.29Å; W746-L755 HydrophobicContact CH2-CD1 3.95Å; W746-L755 HydrophobicContact CH2-CD2 4.06Å; W746-L755 HydrophobicContact CZ2-CD1 4.41Å; W746-L755 HydrophobicContact CZ2-CD2 3.68Å; W746-L755 HydrophobicContact CZ3-CD1 4.17Å; W746-L757 HydrophobicContact CZ2-CD1 4.19Å; W746-T769 PolarHBondContact NE1-O 2.77Å; W746-F770 AromaticContact NE1-CD1 3.74Å |
| 747 | N | 87.7 | Confident | 94 | Very high | 67 Ų | 67 | 34.6 Ų | 34.6 | 36% | 0.358 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -32 | -174.6 | -77.8 | -17.4 | 0 | 0 | 0 | 113.1 | G744 Q771 N772 | G744-N747 WeakPolarHBondContact CA-ND2 3.44Å; G744-N747 WeakPolarHBondContact O-CB 3.47Å; G744-N747 PolarHBondContact O-N 2.79Å; G744-N747 PolarHBondContact O-ND2 3.32Å; N747-Q771 PolarHBondContact OD1-O 2.77Å; N747-N772 WeakPolarHBondContact OD1-CB 3.42Å; N747-N772 PolarHBondContact OD1-ND2 2.72Å |
| 748 | G | 88.9 | Confident | 94 | Very high | 17 Ų | 17 | 31.4 Ų | 31.4 | 18% | 0.175 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -18.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | M725 W746 T750 | M725-G748 CarbonylContact C-O 3.52Å; M725-G748 PolarHBondContact N-O 3.27Å; W746-G748 PolarHBondContact O-N 3.06Å; G748-T750 PolarHBondContact O-N 3.49Å |
| 749 | A | 93.6 | Very high | 94 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -95.7 | 56.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | M725 L728 W746 R751 L752 | M725-A749 HydrophobicContact CB-CB 4.41Å; M725-A749 WeakPolarHBondContact O-CA 3.21Å; L728-A749 HydrophobicContact CD2-CB 4.34Å; W746-A749 PolarHBondContact O-N 3.17Å; A749-R751 PolarHBondContact O-N 2.99Å; A749-L752 HydrophobicContact CB-CB 4.08Å; A749-L752 HydrophobicContact CB-CD2 4.42Å; A749-L752 WeakPolarHBondContact O-CB 3.4Å; A749-L752 PolarHBondContact O-N 3.11Å | ||
| 750 | T | 90.4 | Very high | 94.1 | Very high | 66 Ų | 66 | 31.5 Ų | 31.5 | 41% | 0.405 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -14.5 | -169.4 | 53.6 | 0 | 0 | 0 | 0 | 115.5 | G748 K775 | G748-T750 PolarHBondContact O-N 3.49Å; T750-K775 WeakPolarHBondContact O-CG 3.29Å |
| 751 | R | 92.8 | Very high | 94.3 | Very high | 119 Ų | 119 | 33.4 Ų | 33.4 | 45% | 0.449 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 4.6 | 176.2 | -72.6 | -168.6 | 168.4 | 81.2 | 1.5 | 114 | P726 L728 A749 A753 | P726-R751 VanDerWaalsContact O-CD 3.23Å; P726-R751 WeakPolarHBondContact O-CD 3.34Å; P726-R751 VanDerWaalsContact O-CG 3.23Å; P726-R751 WeakPolarHBondContact O-CG 3.32Å; P726-R751 PolarHBondContact O-NH1 3.11Å; L728-R751 CarbonylContact O-C 2.97Å; A749-R751 PolarHBondContact O-N 2.99Å; R751-A753 PolarHBondContact O-N 2.87Å; R751-A753 VanDerWaalsContact O-N 3.15Å |
| 752 | L | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -63.4 | 117.3 | -177.1 | -175 | 62.3 | 0 | 0 | 0 | 109.3 | L728 L731 W746 A749 L755 K775 M776 | L728-L752 HydrophobicContact CD2-CD1 4.36Å; L728-L752 HydrophobicContact CG-CD1 4.27Å; L728-L752 VanDerWaalsContact O-CA 3.28Å; L728-L752 WeakPolarHBondContact O-CA 3.5Å; L728-L752 PolarHBondContact O-N 2.61Å; L731-L752 HydrophobicContact CB-CD1 3.8Å; W746-L752 HydrophobicContact CD2-CD2 4.42Å; W746-L752 HydrophobicContact CE3-CD2 4.11Å; A749-L752 HydrophobicContact CB-CB 4.08Å; A749-L752 HydrophobicContact CB-CD2 4.42Å; A749-L752 WeakPolarHBondContact O-CB 3.4Å; A749-L752 PolarHBondContact O-N 3.11Å; L752-L755 HydrophobicContact CD2-CB 4.45Å; L752-K775 CarbonylContact O-C 3.16Å; L752-M776 HydrophobicContact CB-CE 4.5Å; L752-M776 HydrophobicContact CD2-CE 3.48Å; L752-M776 VanDerWaalsContact CD2-CE 3.48Å; L752-M776 HydrophobicContact CG-CE 3.88Å; L752-M776 WeakPolarHBondContact O-CA 3.34Å; L752-M776 PolarHBondContact O-N 2.84Å; L752-M776 VanDerWaalsContact O-N 3.09Å | ||
| 753 | A | 95 | Very high | 94.6 | Very high | 29 Ų | 29 | 30.7 Ų | 30.7 | 24% | 0.24 | 17% | 0.171 | C | C | . | . | trans | -107.7 | -36.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R729 R751 K775 N777 I778 | R729-A753 PolarHBondContact O-N 3.44Å; R751-A753 PolarHBondContact O-N 2.87Å; R751-A753 VanDerWaalsContact O-N 3.15Å; A753-K775 VanDerWaalsContact CA-O 3.31Å; A753-K775 WeakPolarHBondContact CA-O 3.24Å; A753-N777 PolarHBondContact O-N 2.84Å; A753-I778 PolarHBondContact O-N 2.85Å; A753-I778 VanDerWaalsContact O-N 3.09Å | ||
| 754 | E | 97.3 | Very high | 94.9 | Very high | 42 Ų | 42 | 30.7 Ų | 30.7 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 123.8 | -178.3 | -60.4 | 179.1 | -145.3 | 0 | 0 | 110.7 | R729 R730 L731 Y756 I778 | R729-E754 PolarHBondContact O-N 2.96Å; R730-E754 HydrophobicContact CB-CB 4.49Å; R730-E754 HydrophobicContact CG-CB 4.31Å; R730-E754 IonicContact CZ-OE1 3.9Å; R730-E754 IonicContact CZ-OE2 3.46Å; R730-E754 VanDerWaalsContact CZ-OE2 3.28Å; R730-E754 IonicContact NE-OE1 2.73Å; R730-E754 IonicContact NE-OE2 3.38Å; R730-E754 PolarHBondContact NE-OE2 2.72Å; R730-E754 VanDerWaalsContact NH2-CD 3.33Å; R730-E754 IonicContact NH2-OE1 2.92Å; R730-E754 PolarHBondContact NH2-OE1 3.16Å; R730-E754 IonicContact NH2-OE2 2.68Å; R730-E754 PolarHBondContact NH2-OE2 2.87Å; L731-E754 PolarHBondContact N-O 2.72Å; E754-Y756 HydrophobicContact CB-CE2 3.87Å; E754-Y756 PolarHBondContact OE2-OH 3.22Å; E754-I778 HydrophobicContact CG-CB 4.36Å; E754-I778 HydrophobicContact CG-CD1 4.29Å |
| 755 | L | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 120.1 | 178.4 | 176.2 | 60.7 | 0 | 0 | 0 | 110.7 | L731 L733 W746 L752 L757 F770 M776 I778 V779 D780 | L731-L755 HydrophobicContact CB-CD1 4.12Å; L731-L755 HydrophobicContact CD2-CD1 3.93Å; L731-L755 HydrophobicContact CG-CD1 4.03Å; L733-L755 HydrophobicContact CD1-CD1 4.37Å; W746-L755 HydrophobicContact CD2-CD2 4.29Å; W746-L755 HydrophobicContact CH2-CD1 3.95Å; W746-L755 HydrophobicContact CH2-CD2 4.06Å; W746-L755 HydrophobicContact CZ2-CD1 4.41Å; W746-L755 HydrophobicContact CZ2-CD2 3.68Å; W746-L755 HydrophobicContact CZ3-CD1 4.17Å; L752-L755 HydrophobicContact CD2-CB 4.45Å; L755-L757 HydrophobicContact CD1-CD1 4.33Å; L755-L757 HydrophobicContact CD1-CG 4.24Å; L755-L757 HydrophobicContact CD2-CD1 3.94Å; L755-L757 HydrophobicContact CG-CD1 4.06Å; L755-L757 HydrophobicContact CG-CG 4.28Å; L755-F770 HydrophobicContact CD2-CD1 4.27Å; L755-F770 HydrophobicContact CD2-CE1 3.75Å; L755-M776 HydrophobicContact CB-CE 3.95Å; L755-M776 HydrophobicContact CB-SD 4.45Å; L755-M776 HydrophobicContact CD2-CE 3.62Å; L755-M776 HydrophobicContact CD2-SD 4.24Å; L755-M776 HydrophobicContact CG-CE 4.44Å; L755-I778 PolarHBondContact N-O 2.98Å; L755-V779 WeakPolarHBondContact O-CA 3.12Å; L755-D780 PolarHBondContact O-N 3.38Å |
| 756 | Y | 98.6 | Very high | 95.2 | Very high | 64 Ų | 64 | 34.7 Ų | 34.7 | 25% | 0.251 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.6 | 176.9 | -53.6 | -90.6 | 0 | 0 | 0 | 109.9 | R730 L731 D732 L733 S734 E754 D780 | R730-Y756 HydrophobicContact CG-CE2 4.32Å; L731-Y756 PolarHBondContact O-N 3.3Å; D732-Y756 HydrophobicContact CB-CD2 4.38Å; L733-Y756 CarbonylContact C-O 3.57Å; L733-Y756 WeakPolarHBondContact CA-O 3.26Å; L733-Y756 WeakPolarHBondContact CB-O 3.18Å; L733-Y756 PolarHBondContact N-O 2.86Å; S734-Y756 PolarHBondContact N-O 3.13Å; E754-Y756 HydrophobicContact CB-CE2 3.87Å; E754-Y756 PolarHBondContact OE2-OH 3.22Å; Y756-D780 HydrophobicContact CD1-CB 3.84Å |
| 757 | L | 98.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | trans | -130.9 | 14.9 | -178.8 | -83.3 | 166.1 | 0 | 0 | 0 | 110.8 | L733 I738 W746 L755 N760 D780 I781 N784 | L733-L757 HydrophobicContact CB-CD2 3.74Å; L733-L757 HydrophobicContact CB-CG 4.46Å; L733-L757 HydrophobicContact CD1-CD2 3.88Å; L733-L757 HydrophobicContact CG-CD2 4.48Å; I738-L757 HydrophobicContact CD1-CD2 3.94Å; W746-L757 HydrophobicContact CZ2-CD1 4.19Å; L755-L757 HydrophobicContact CD1-CD1 4.33Å; L755-L757 HydrophobicContact CD1-CG 4.24Å; L755-L757 HydrophobicContact CD2-CD1 3.94Å; L755-L757 HydrophobicContact CG-CD1 4.06Å; L755-L757 HydrophobicContact CG-CG 4.28Å; L757-N760 PolarHBondContact O-ND2 3.44Å; L757-D780 CarbonylContact C-O 3.32Å; L757-D780 WeakPolarHBondContact CA-O 3.31Å; L757-D780 PolarHBondContact N-O 2.95Å; L757-I781 HydrophobicContact CB-CG2 3.73Å; L757-I781 HydrophobicContact CD1-CG2 4.02Å; L757-N784 PolarHBondContact O-ND2 3.03Å | ||
| 758 | S | 98.5 | Very high | 95.1 | Very high | 16 Ų | 16 | 39 Ų | 39 | 11% | 0.112 | 20% | 0.201 | C | C | . | . | trans | -65.1 | 154.8 | -177.9 | 46.6 | 0 | 0 | 0 | 0 | 113.2 | S734 H735 N760 D780 S782 | S734-S758 CarbonylContact C-O 3.53Å; S734-S758 WeakPolarHBondContact CA-O 3.45Å; S734-S758 WeakPolarHBondContact CB-O 3.46Å; H735-S758 PolarHBondContact N-O 3.3Å; S758-N760 PolarHBondContact O-ND2 2.78Å; S758-D780 VanDerWaalsContact CB-OD2 3.24Å; S758-D780 WeakPolarHBondContact CB-OD2 3.13Å; S758-D780 PolarHBondContact N-O 3.08Å; S758-D780 PolarHBondContact OG-OD2 2.93Å; S758-S782 CarbonylContact C-O 3.49Å; S758-S782 WeakPolarHBondContact CA-O 3.46Å; S758-S782 WeakPolarHBondContact CB-O 3.19Å; S758-S782 VanDerWaalsContact CB-OG 3.26Å; S758-S782 WeakPolarHBondContact CB-OG 3Å | ||
| 759 | A | 98.4 | Very high | 95.1 | Very high | 27 Ų | 27 | 38.3 Ų | 38.3 | 22% | 0.223 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 57.2 | 51.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | H735 N736 S782 S783 | H735-A759 WeakPolarHBondContact CA-O 3.37Å; H735-A759 HydrophobicContact CB-CB 4.49Å; H735-A759 PolarHBondContact N-O 2.87Å; H735-A759 WeakPolarHBondContact ND1-CB 3.36Å; N736-A759 PolarHBondContact N-O 3.4Å; A759-S782 PolarHBondContact N-O 3.27Å; A759-S783 WeakPolarHBondContact CA-O 3.11Å; A759-S783 PolarHBondContact N-O 2.97Å |
| 760 | N | 98.5 | Very high | 94.9 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -121.3 | -165.5 | 174.1 | -87.1 | -75.7 | 0 | 0 | 0 | 110.3 | L733 N736 L737 I738 L757 S758 N784 | L733-N760 PolarHBondContact O-ND2 2.75Å; N736-N760 WeakPolarHBondContact CA-OD1 3.45Å; N736-N760 WeakPolarHBondContact CB-OD1 3.4Å; N736-N760 PolarHBondContact N-OD1 3.36Å; N736-N760 PolarHBondContact O-OD1 2.99Å; L737-N760 PolarHBondContact N-OD1 2.76Å; I738-N760 HydrophobicContact CB-CB 4.25Å; I738-N760 VanDerWaalsContact CB-OD1 3.3Å; I738-N760 WeakPolarHBondContact CB-OD1 3.33Å; I738-N760 WeakPolarHBondContact CG1-OD1 3.38Å; I738-N760 PolarHBondContact N-OD1 2.94Å; L757-N760 PolarHBondContact O-ND2 3.44Å; S758-N760 PolarHBondContact O-ND2 2.78Å; N760-N784 WeakPolarHBondContact CA-OD1 3.13Å; N760-N784 WeakPolarHBondContact CB-OD1 3.07Å; N760-N784 PolarHBondContact N-OD1 2.94Å; N760-N784 PolarHBondContact O-OD1 3.1Å |
| 761 | M | 97.8 | Very high | 94.5 | Very high | 83 Ų | 83 | 40.3 Ų | 40.3 | 41% | 0.409 | 20% | 0.198 | S | C | . | . | trans | -114.2 | 23.3 | -175.9 | -58.4 | -65.6 | -67.3 | 0 | 0 | 112.2 | I738 S763 N784 | I738-M761 CarbonylContact O-C 3.32Å; I738-M761 WeakPolarHBondContact O-CA 3.5Å; I738-M761 PolarHBondContact O-N 2.91Å; M761-S763 PolarHBondContact O-N 3.04Å; M761-N784 PolarHBondContact N-OD1 3.18Å | ||
| 762 | L | 98.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | trans | -66.5 | 124.7 | -178 | -62.6 | 171.1 | 0 | 0 | 0 | 109.5 | I738 V741 I765 N784 Q785 I786 | I738-L762 HydrophobicContact CG2-CD2 3.99Å; I738-L762 PolarHBondContact O-N 2.81Å; I738-L762 VanDerWaalsContact O-N 3.16Å; V741-L762 HydrophobicContact CG2-CD2 4.09Å; L762-I765 HydrophobicContact CB-CD1 4.41Å; L762-I765 HydrophobicContact CD1-CD1 4.11Å; L762-N784 HydrophobicContact CB-CB 4.16Å; L762-N784 VanDerWaalsContact CB-OD1 3.31Å; L762-N784 WeakPolarHBondContact CB-OD1 3.5Å; L762-N784 WeakPolarHBondContact CG-OD1 3.41Å; L762-N784 PolarHBondContact N-OD1 2.97Å; L762-Q785 CarbonylContact O-C 3.38Å; L762-Q785 VanDerWaalsContact O-CA 3.28Å; L762-Q785 WeakPolarHBondContact O-CA 3.47Å; L762-Q785 PolarHBondContact O-N 3.46Å; L762-I786 HydrophobicContact CB-CD1 4.37Å; L762-I786 HydrophobicContact CB-CG1 4.02Å; L762-I786 VanDerWaalsContact O-CG1 3.29Å; L762-I786 WeakPolarHBondContact O-CG1 3.08Å; L762-I786 PolarHBondContact O-N 2.85Å | ||
| 763 | S | 96.8 | Very high | 92.9 | Very high | 56 Ų | 56 | 39 Ų | 39 | 39% | 0.392 | 20% | 0.202 | S | C | . | . | trans | -109.6 | -20.7 | 176.3 | 60.5 | 0 | 0 | 0 | 0 | 113.7 | M761 Q785 I786 S787 R788 | M761-S763 PolarHBondContact O-N 3.04Å; S763-Q785 WeakPolarHBondContact CA-O 3.29Å; S763-I786 WeakPolarHBondContact O-CA 3.29Å; S763-S787 PolarHBondContact O-N 2.67Å; S763-R788 PolarHBondContact O-N 3.19Å | ||
| 764 | H | 96.4 | Very high | 92.1 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 20% | 0.199 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 132.6 | -176.3 | 179.3 | 116 | 0 | 0 | 0 | 110.8 | K766 R788 D790 | H764-K766 WeakPolarHBondContact CD2-CG 3.39Å; H764-K766 PolarHBondContact CD2-N 2.99Å; H764-K766 VanDerWaalsContact NE2-CG 3.25Å; H764-K766 WeakPolarHBondContact NE2-CG 3.39Å; H764-R788 VanDerWaalsContact CA-O 3.27Å; H764-R788 WeakPolarHBondContact CA-O 3.02Å; H764-R788 PolarHBondContact CE1-NE 3.42Å; H764-R788 WeakPolarHBondContact ND1-CD 3.44Å; H764-R788 WeakPolarHBondContact ND1-CG 3.25Å; H764-D790 IonicContact CE1-OD1 3.83Å; H764-D790 PolarHBondContact CE1-OD1 2.93Å; H764-D790 IonicContact NE2-OD1 3.17Å; H764-D790 IonicContact NE2-OD2 3.35Å |
| 765 | I | 95.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 114.8 | 169.4 | -50.7 | -59.7 | 0 | 0 | 0 | 109.5 | L762 T769 F770 I786 R788 L789 D790 C793 | L762-I765 HydrophobicContact CB-CD1 4.41Å; L762-I765 HydrophobicContact CD1-CD1 4.11Å; I765-T769 HydrophobicContact CG2-CG2 4.04Å; I765-F770 HydrophobicContact CG2-CD2 4.2Å; I765-F770 HydrophobicContact CG2-CE2 3.73Å; I765-I786 HydrophobicContact CD1-CD1 4.18Å; I765-I786 HydrophobicContact CG1-CD1 4.12Å; I765-R788 PolarHBondContact N-O 2.87Å; I765-R788 VanDerWaalsContact N-O 3.13Å; I765-L789 HydrophobicContact CB-CD2 3.52Å; I765-L789 HydrophobicContact CG1-CD2 3.41Å; I765-L789 VanDerWaalsContact CG1-CD2 3.41Å; I765-L789 HydrophobicContact CG2-CD2 4.48Å; I765-D790 PolarHBondContact O-N 2.88Å; I765-C793 HydrophobicContact CG2-CB 3.95Å |
| 766 | K | 93.1 | Very high | 91.3 | Very high | 87 Ų | 87 | 48 Ų | 48 | 38% | 0.378 | 24% | 0.237 | S | C | . | . | trans | -80.7 | 155.4 | -177.1 | -71.6 | 179.1 | -178.5 | 163 | 0 | 110.9 | H740 P743 H764 G768 T769 D790 C793 | H740-K766 PolarHBondContact NE2-NZ 3.31Å; P743-K766 HydrophobicContact CG-CB 4.39Å; H764-K766 WeakPolarHBondContact CD2-CG 3.39Å; H764-K766 PolarHBondContact CD2-N 2.99Å; H764-K766 VanDerWaalsContact NE2-CG 3.25Å; H764-K766 WeakPolarHBondContact NE2-CG 3.39Å; K766-G768 PolarHBondContact O-N 3.36Å; K766-T769 WeakPolarHBondContact O-CB 3.36Å; K766-T769 PolarHBondContact O-N 3.08Å; K766-T769 PolarHBondContact O-OG1 2.91Å; K766-D790 WeakPolarHBondContact CA-OD2 3.33Å; K766-C793 WeakPolarHBondContact O-CB 3.33Å | ||
| 767 | K | 90.2 | Very high | 91.1 | Very high | 150 Ų | 150 | 47.9 Ų | 47.9 | 65% | 0.652 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 133.3 | 167.9 | -171.5 | 174.9 | -178.2 | 175.6 | 0 | 110 | D790 | K767-D790 HydrophobicContact CB-CB 4.14Å; K767-D790 PolarHBondContact N-OD2 2.97Å |
| 768 | G | 86.6 | Confident | 91 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 7% | 0.072 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -7.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P743 G744 K766 F770 Q771 | P743-G768 WeakPolarHBondContact CA-O 3.39Å; G744-G768 PolarHBondContact N-O 2.96Å; K766-G768 PolarHBondContact O-N 3.36Å; G768-F770 VanDerWaalsContact C-N 3.25Å; G768-F770 PolarHBondContact O-N 3.45Å; G768-Q771 WeakPolarHBondContact O-CB 3.41Å; G768-Q771 PolarHBondContact O-N 3.4Å |
| 769 | T | 90.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -39.9 | 177 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | V741 W746 I765 K766 | V741-T769 HydrophobicContact CB-CG2 3.9Å; V741-T769 HydrophobicContact CG1-CG2 3.74Å; W746-T769 PolarHBondContact NE1-O 2.77Å; I765-T769 HydrophobicContact CG2-CG2 4.04Å; K766-T769 WeakPolarHBondContact O-CB 3.36Å; K766-T769 PolarHBondContact O-N 3.08Å; K766-T769 PolarHBondContact O-OG1 2.91Å |
| 770 | F | 89.6 | Confident | 90.9 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 2% | 0.022 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 21.1 | 179.1 | -59 | -77.2 | 0 | 0 | 0 | 113.6 | W746 L755 I765 G768 M776 V779 I781 C793 F794 | W746-F770 AromaticContact NE1-CD1 3.74Å; L755-F770 HydrophobicContact CD2-CD1 4.27Å; L755-F770 HydrophobicContact CD2-CE1 3.75Å; I765-F770 HydrophobicContact CG2-CD2 4.2Å; I765-F770 HydrophobicContact CG2-CE2 3.73Å; G768-F770 VanDerWaalsContact C-N 3.25Å; G768-F770 PolarHBondContact O-N 3.45Å; F770-M776 HydrophobicContact CD1-SD 3.93Å; F770-V779 HydrophobicContact CE1-CG1 4.14Å; F770-V779 HydrophobicContact CE1-CG2 4.45Å; F770-V779 HydrophobicContact CZ-CG1 4.09Å; F770-I781 HydrophobicContact CZ-CG2 4.37Å; F770-C793 PolarHBondContact N-O 3.07Å; F770-F794 VanDerWaalsContact CB-O 3.31Å; F770-F794 WeakPolarHBondContact CB-O 3.34Å; F770-F794 AromaticContact CD2-CD1 3.68Å; F770-F794 HydrophobicContact CD2-CD1 3.68Å; F770-F794 HydrophobicContact CD2-CE1 4.27Å; F770-F794 AromaticContact CE2-CD1 3.7Å; F770-F794 HydrophobicContact CE2-CD1 3.7Å; F770-F794 AromaticContact CE2-CE1 3.82Å; F770-F794 HydrophobicContact CE2-CE1 3.82Å |
| 771 | Q | 81.1 | Confident | 90.8 | Very high | 104 Ų | 104 | 49.2 Ų | 49.2 | 49% | 0.486 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 145.7 | 179.7 | -174 | 170 | 4.2 | 0 | 0 | 111.7 | N747 G768 A773 | N747-Q771 PolarHBondContact OD1-O 2.77Å; G768-Q771 WeakPolarHBondContact O-CB 3.41Å; G768-Q771 PolarHBondContact O-N 3.4Å; Q771-A773 PolarHBondContact O-N 2.98Å; Q771-A773 VanDerWaalsContact O-N 3.11Å |
| 772 | N | 76 | Confident | 90.9 | Very high | 79 Ų | 79 | 45.8 Ų | 45.8 | 42% | 0.422 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 10.6 | -179.5 | -52.7 | -34.3 | 0 | 0 | 0 | 116.4 | N747 E774 | N747-N772 WeakPolarHBondContact OD1-CB 3.42Å; N747-N772 PolarHBondContact OD1-ND2 2.72Å; N772-E774 PolarHBondContact O-N 3.1Å |
| 773 | A | 76.9 | Confident | 90.9 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 10% | 0.099 | 25% | 0.245 | C | C | . | . | trans | -79.3 | 60 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q771 K775 M776 | Q771-A773 PolarHBondContact O-N 2.98Å; Q771-A773 VanDerWaalsContact O-N 3.11Å; A773-K775 PolarHBondContact O-N 2.84Å; A773-M776 HydrophobicContact CB-CB 3.88Å; A773-M776 HydrophobicContact CB-CE 3.72Å; A773-M776 HydrophobicContact CB-SD 4.04Å; A773-M776 VanDerWaalsContact O-CB 3.29Å; A773-M776 WeakPolarHBondContact O-CB 3.4Å; A773-M776 PolarHBondContact O-N 2.97Å | ||
| 774 | E | 78 | Confident | 90.9 | Very high | 127 Ų | 127 | 46.3 Ų | 46.3 | 59% | 0.593 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13.3 | -167.2 | -65.3 | -177.7 | -178.1 | 0 | 0 | 115.2 | N772 N798 | N772-E774 PolarHBondContact O-N 3.1Å; E774-N798 VanDerWaalsContact O-CG 3.31Å; E774-N798 PolarHBondContact O-ND2 2.96Å |
| 775 | K | 88.6 | Confident | 91 | Very high | 124 Ų | 124 | 48.2 Ų | 48.2 | 54% | 0.539 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 3.4 | 178.5 | -61.8 | -59.5 | -178.9 | -171.2 | 0 | 113.4 | T750 L752 A753 A773 N777 | T750-K775 WeakPolarHBondContact O-CG 3.29Å; L752-K775 CarbonylContact O-C 3.16Å; A753-K775 VanDerWaalsContact CA-O 3.31Å; A753-K775 WeakPolarHBondContact CA-O 3.24Å; A773-K775 PolarHBondContact O-N 2.84Å; K775-N777 PolarHBondContact O-N 2.81Å; K775-N777 PolarHBondContact O-OD1 2.85Å |
| 776 | M | 90.9 | Very high | 91.1 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.039 | 24% | 0.238 | C | C | . | . | trans | -76.2 | 116.8 | -175.2 | -170.1 | 175.5 | -78.1 | 0 | 0 | 110.4 | L752 L755 F770 A773 V779 N798 L799 | L752-M776 HydrophobicContact CB-CE 4.5Å; L752-M776 HydrophobicContact CD2-CE 3.48Å; L752-M776 VanDerWaalsContact CD2-CE 3.48Å; L752-M776 HydrophobicContact CG-CE 3.88Å; L752-M776 WeakPolarHBondContact O-CA 3.34Å; L752-M776 PolarHBondContact O-N 2.84Å; L752-M776 VanDerWaalsContact O-N 3.09Å; L755-M776 HydrophobicContact CB-CE 3.95Å; L755-M776 HydrophobicContact CB-SD 4.45Å; L755-M776 HydrophobicContact CD2-CE 3.62Å; L755-M776 HydrophobicContact CD2-SD 4.24Å; L755-M776 HydrophobicContact CG-CE 4.44Å; F770-M776 HydrophobicContact CD1-SD 3.93Å; A773-M776 HydrophobicContact CB-CB 3.88Å; A773-M776 HydrophobicContact CB-CE 3.72Å; A773-M776 HydrophobicContact CB-SD 4.04Å; A773-M776 VanDerWaalsContact O-CB 3.29Å; A773-M776 WeakPolarHBondContact O-CB 3.4Å; A773-M776 PolarHBondContact O-N 2.97Å; M776-V779 HydrophobicContact CG-CG2 3.65Å; M776-V779 HydrophobicContact SD-CG2 3.24Å; M776-V779 WeakPolarHBondContact SD-CG2 3.45Å; M776-N798 CarbonylContact O-C 3.08Å; M776-L799 HydrophobicContact CG-CD1 4.25Å | ||
| 777 | N | 92.7 | Very high | 91.3 | Very high | 63 Ų | 63 | 47.6 Ų | 47.6 | 34% | 0.337 | 25% | 0.245 | S | C | . | . | trans | -116 | -24.2 | -175 | -64.3 | 4.7 | 0 | 0 | 0 | 111.9 | A753 K775 L800 H801 | A753-N777 PolarHBondContact O-N 2.84Å; K775-N777 PolarHBondContact O-N 2.81Å; K775-N777 PolarHBondContact O-OD1 2.85Å; N777-L800 HydrophobicContact CB-CD1 4.27Å; N777-L800 HydrophobicContact CB-CG 4.31Å; N777-L800 PolarHBondContact O-N 3.43Å; N777-H801 PolarHBondContact O-N 3.03Å | ||
| 778 | I | 96.3 | Very high | 91.5 | Very high | 53 Ų | 53 | 47.6 Ų | 47.6 | 27% | 0.272 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.9 | 178.3 | -55.7 | -177.4 | 0 | 0 | 0 | 109.7 | A753 E754 L755 H801 | A753-I778 PolarHBondContact O-N 2.85Å; A753-I778 VanDerWaalsContact O-N 3.09Å; E754-I778 HydrophobicContact CG-CB 4.36Å; E754-I778 HydrophobicContact CG-CD1 4.29Å; L755-I778 PolarHBondContact N-O 2.98Å; I778-H801 WeakPolarHBondContact CA-O 3.33Å; I778-H801 HydrophobicContact CG1-CB 4.19Å; I778-H801 HydrophobicContact CG2-CB 4.43Å |
| 779 | V | 96.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120.4 | 171.2 | 172.6 | 0 | 0 | 0 | 0 | 109 | L755 F770 M776 I781 L799 H801 L802 N803 | L755-V779 WeakPolarHBondContact O-CA 3.12Å; F770-V779 HydrophobicContact CE1-CG1 4.14Å; F770-V779 HydrophobicContact CE1-CG2 4.45Å; F770-V779 HydrophobicContact CZ-CG1 4.09Å; M776-V779 HydrophobicContact CG-CG2 3.65Å; M776-V779 HydrophobicContact SD-CG2 3.24Å; M776-V779 WeakPolarHBondContact SD-CG2 3.45Å; V779-I781 HydrophobicContact CG1-CG1 4.36Å; V779-I781 HydrophobicContact CG1-CG2 3.9Å; V779-L799 HydrophobicContact CB-CD1 3.93Å; V779-L799 HydrophobicContact CB-CD2 4.25Å; V779-L799 HydrophobicContact CG2-CD1 3.51Å; V779-L799 HydrophobicContact CG2-CD2 4.3Å; V779-H801 PolarHBondContact N-O 3.23Å; V779-L802 HydrophobicContact CB-CD1 4.14Å; V779-L802 HydrophobicContact CG1-CD1 4.03Å; V779-L802 WeakPolarHBondContact O-CA 3.45Å; V779-N803 PolarHBondContact O-N 3.38Å |
| 780 | D | 98.3 | Very high | 92.2 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 109.7 | 170.9 | 176.8 | 17.3 | 0 | 0 | 0 | 110 | L755 Y756 L757 S758 S782 N803 | L755-D780 PolarHBondContact O-N 3.38Å; Y756-D780 HydrophobicContact CD1-CB 3.84Å; L757-D780 CarbonylContact C-O 3.32Å; L757-D780 WeakPolarHBondContact CA-O 3.31Å; L757-D780 PolarHBondContact N-O 2.95Å; S758-D780 VanDerWaalsContact CB-OD2 3.24Å; S758-D780 WeakPolarHBondContact CB-OD2 3.13Å; S758-D780 PolarHBondContact N-O 3.08Å; S758-D780 PolarHBondContact OG-OD2 2.93Å; D780-S782 WeakPolarHBondContact OD1-CB 3.08Å; D780-S782 PolarHBondContact OD1-N 2.91Å; D780-S782 PolarHBondContact OD1-OG 2.86Å; D780-N803 HydrophobicContact CB-CB 4.33Å |
| 781 | I | 98 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -120.9 | 25.8 | 174.7 | 50.4 | 173 | 0 | 0 | 0 | 110.6 | L757 F770 V779 N784 I786 F794 L802 N803 L804 N807 | L757-I781 HydrophobicContact CB-CG2 3.73Å; L757-I781 HydrophobicContact CD1-CG2 4.02Å; F770-I781 HydrophobicContact CZ-CG2 4.37Å; V779-I781 HydrophobicContact CG1-CG1 4.36Å; V779-I781 HydrophobicContact CG1-CG2 3.9Å; I781-N784 PolarHBondContact O-ND2 2.82Å; I781-N784 VanDerWaalsContact O-ND2 3.14Å; I781-I786 HydrophobicContact CB-CD1 4.25Å; I781-I786 HydrophobicContact CD1-CD1 3.95Å; I781-I786 HydrophobicContact CG1-CD1 4.37Å; I781-F794 HydrophobicContact CD1-CE1 3.7Å; I781-F794 HydrophobicContact CD1-CZ 3.96Å; I781-L802 HydrophobicContact CD1-CD1 4.22Å; I781-L802 HydrophobicContact CG1-CD1 4.25Å; I781-N803 CarbonylContact C-O 3.42Å; I781-N803 VanDerWaalsContact CG1-O 3.24Å; I781-N803 WeakPolarHBondContact CG1-O 3.47Å; I781-N803 PolarHBondContact N-O 3.13Å; I781-L804 HydrophobicContact CD1-CD2 3.36Å; I781-L804 HydrophobicContact CD1-CG 4Å; I781-L804 HydrophobicContact CG1-CD2 3.78Å; I781-L804 HydrophobicContact CG1-CG 4.16Å; I781-N807 PolarHBondContact O-ND2 3Å; I781-N807 VanDerWaalsContact O-ND2 3.14Å | ||
| 782 | S | 98.5 | Very high | 92.7 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 8% | 0.077 | 26% | 0.257 | C | S | . | . | trans | -66 | 165.6 | 178.3 | 63.9 | 0 | 0 | 0 | 0 | 112.9 | S758 A759 D780 N784 N803 S805 | S758-S782 CarbonylContact C-O 3.49Å; S758-S782 WeakPolarHBondContact CA-O 3.46Å; S758-S782 WeakPolarHBondContact CB-O 3.19Å; S758-S782 VanDerWaalsContact CB-OG 3.26Å; S758-S782 WeakPolarHBondContact CB-OG 3Å; A759-S782 PolarHBondContact N-O 3.27Å; D780-S782 WeakPolarHBondContact OD1-CB 3.08Å; D780-S782 PolarHBondContact OD1-N 2.91Å; D780-S782 PolarHBondContact OD1-OG 2.86Å; S782-N784 VanDerWaalsContact C-N 3.28Å; S782-N784 PolarHBondContact O-N 3.22Å; S782-N784 PolarHBondContact O-ND2 3.09Å; S782-N803 WeakPolarHBondContact CB-OD1 3.39Å; S782-N803 PolarHBondContact N-O 2.93Å; S782-S805 CarbonylContact C-O 3.59Å; S782-S805 WeakPolarHBondContact CA-O 3.49Å; S782-S805 VanDerWaalsContact CB-O 3.31Å; S782-S805 WeakPolarHBondContact CB-O 3.45Å; S782-S805 VanDerWaalsContact CB-OG 3.26Å; S782-S805 WeakPolarHBondContact CB-OG 3.46Å | ||
| 783 | S | 98.2 | Very high | 93.5 | Very high | 57 Ų | 57 | 44.4 Ų | 44.4 | 40% | 0.399 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 54.7 | 43.1 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 112.9 | A759 S805 S806 | A759-S783 WeakPolarHBondContact CA-O 3.11Å; A759-S783 PolarHBondContact N-O 2.97Å; S783-S805 PolarHBondContact N-O 3.26Å; S783-S806 CarbonylContact C-O 3.56Å; S783-S806 WeakPolarHBondContact CA-O 3.39Å; S783-S806 PolarHBondContact N-O 2.87Å |
| 784 | N | 97.9 | Very high | 94.2 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 6% | 0.059 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -115.2 | -163.8 | 174.9 | -86.8 | -88 | 0 | 0 | 0 | 109.2 | L757 N760 M761 L762 I781 S782 I786 S806 N807 | L757-N784 PolarHBondContact O-ND2 3.03Å; N760-N784 WeakPolarHBondContact CA-OD1 3.13Å; N760-N784 WeakPolarHBondContact CB-OD1 3.07Å; N760-N784 PolarHBondContact N-OD1 2.94Å; N760-N784 PolarHBondContact O-OD1 3.1Å; M761-N784 PolarHBondContact N-OD1 3.18Å; L762-N784 HydrophobicContact CB-CB 4.16Å; L762-N784 VanDerWaalsContact CB-OD1 3.31Å; L762-N784 WeakPolarHBondContact CB-OD1 3.5Å; L762-N784 WeakPolarHBondContact CG-OD1 3.41Å; L762-N784 PolarHBondContact N-OD1 2.97Å; I781-N784 PolarHBondContact O-ND2 2.82Å; I781-N784 VanDerWaalsContact O-ND2 3.14Å; S782-N784 VanDerWaalsContact C-N 3.28Å; S782-N784 PolarHBondContact O-N 3.22Å; S782-N784 PolarHBondContact O-ND2 3.09Å; N784-I786 HydrophobicContact CB-CD1 4.13Å; N784-I786 HydrophobicContact CB-CG1 3.95Å; N784-S806 PolarHBondContact N-O 2.75Å; N784-N807 VanDerWaalsContact CA-OD1 3.26Å; N784-N807 WeakPolarHBondContact CA-OD1 3.42Å; N784-N807 WeakPolarHBondContact CB-OD1 3.34Å; N784-N807 PolarHBondContact N-OD1 3.01Å; N784-N807 PolarHBondContact O-OD1 3Å |
| 785 | Q | 97.4 | Very high | 94.3 | Very high | 84 Ų | 84 | 39.1 Ų | 39.1 | 39% | 0.393 | 22% | 0.215 | S | C | . | . | trans | -115.8 | 27 | 179.1 | -59.2 | -178.4 | 5.6 | 0 | 0 | 111.4 | L762 S763 S787 N807 L808 | L762-Q785 CarbonylContact O-C 3.38Å; L762-Q785 VanDerWaalsContact O-CA 3.28Å; L762-Q785 WeakPolarHBondContact O-CA 3.47Å; L762-Q785 PolarHBondContact O-N 3.46Å; S763-Q785 WeakPolarHBondContact CA-O 3.29Å; Q785-S787 PolarHBondContact O-N 3.03Å; Q785-S787 VanDerWaalsContact O-N 3.16Å; Q785-N807 PolarHBondContact N-OD1 3.26Å; Q785-L808 HydrophobicContact CB-CD1 4.11Å | ||
| 786 | I | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -68 | 117.9 | -169 | -59.5 | 170.1 | 0 | 0 | 0 | 108.9 | L762 S763 I765 I781 N784 L789 L804 N807 L808 L809 | L762-I786 HydrophobicContact CB-CD1 4.37Å; L762-I786 HydrophobicContact CB-CG1 4.02Å; L762-I786 VanDerWaalsContact O-CG1 3.29Å; L762-I786 WeakPolarHBondContact O-CG1 3.08Å; L762-I786 PolarHBondContact O-N 2.85Å; S763-I786 WeakPolarHBondContact O-CA 3.29Å; I765-I786 HydrophobicContact CD1-CD1 4.18Å; I765-I786 HydrophobicContact CG1-CD1 4.12Å; I781-I786 HydrophobicContact CB-CD1 4.25Å; I781-I786 HydrophobicContact CD1-CD1 3.95Å; I781-I786 HydrophobicContact CG1-CD1 4.37Å; N784-I786 HydrophobicContact CB-CD1 4.13Å; N784-I786 HydrophobicContact CB-CG1 3.95Å; I786-L789 HydrophobicContact CG2-CD1 4.43Å; I786-L789 HydrophobicContact CG2-CD2 3.71Å; I786-L789 HydrophobicContact CG2-CG 3.87Å; I786-L804 HydrophobicContact CD1-CD2 4.21Å; I786-N807 HydrophobicContact CB-CB 4.22Å; I786-N807 VanDerWaalsContact CB-OD1 3.26Å; I786-N807 WeakPolarHBondContact CB-OD1 3.32Å; I786-N807 VanDerWaalsContact CG1-OD1 3.3Å; I786-N807 WeakPolarHBondContact CG1-OD1 3.38Å; I786-N807 PolarHBondContact N-OD1 3.36Å; I786-L808 CarbonylContact O-C 3.58Å; I786-L808 VanDerWaalsContact O-C 3.26Å; I786-L808 WeakPolarHBondContact O-CA 3.41Å; I786-L808 PolarHBondContact O-N 2.92Å; I786-L809 HydrophobicContact CG2-CD2 4.22Å; I786-L809 PolarHBondContact O-N 3.44Å | ||
| 787 | S | 96 | Very high | 92.7 | Very high | 76 Ų | 76 | 39.5 Ų | 39.5 | 53% | 0.531 | 23% | 0.231 | S | C | . | . | trans | -116.7 | -17.9 | 174.5 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | S763 Q785 | S763-S787 PolarHBondContact O-N 2.67Å; Q785-S787 PolarHBondContact O-N 3.03Å; Q785-S787 VanDerWaalsContact O-N 3.16Å | ||
| 788 | R | 94.8 | Very high | 92.4 | Very high | 151 Ų | 151 | 39.7 Ų | 39.7 | 57% | 0.57 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 133.9 | -179 | -176.2 | 170.6 | 167.8 | -172.1 | -1.2 | 111.9 | S763 H764 I765 D790 | S763-R788 PolarHBondContact O-N 3.19Å; H764-R788 VanDerWaalsContact CA-O 3.27Å; H764-R788 WeakPolarHBondContact CA-O 3.02Å; H764-R788 PolarHBondContact CE1-NE 3.42Å; H764-R788 WeakPolarHBondContact ND1-CD 3.44Å; H764-R788 WeakPolarHBondContact ND1-CG 3.25Å; I765-R788 PolarHBondContact N-O 2.87Å; I765-R788 VanDerWaalsContact N-O 3.13Å; R788-D790 IonicContact CZ-OD1 3.22Å; R788-D790 IonicContact NE-OD1 3.39Å; R788-D790 IonicContact NH2-OD1 2.61Å |
| 789 | L | 96.5 | Very high | 92.2 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 12% | 0.12 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 123.4 | 174.9 | -64.8 | 162.4 | 0 | 0 | 0 | 107.1 | I765 I786 F794 L804 L809 P813 A816 | I765-L789 HydrophobicContact CB-CD2 3.52Å; I765-L789 HydrophobicContact CG1-CD2 3.41Å; I765-L789 VanDerWaalsContact CG1-CD2 3.41Å; I765-L789 HydrophobicContact CG2-CD2 4.48Å; I786-L789 HydrophobicContact CG2-CD1 4.43Å; I786-L789 HydrophobicContact CG2-CD2 3.71Å; I786-L789 HydrophobicContact CG2-CG 3.87Å; L789-F794 HydrophobicContact CD2-CZ 4.2Å; L789-L804 HydrophobicContact CD1-CD1 4.32Å; L789-L804 HydrophobicContact CD1-CD2 4.33Å; L789-L809 HydrophobicContact CD1-CD1 4.39Å; L789-L809 HydrophobicContact CD1-CD2 3.96Å; L789-L809 HydrophobicContact CG-CD2 4.47Å; L789-P813 HydrophobicContact CB-CB 4.34Å; L789-P813 HydrophobicContact CD1-CB 3.43Å; L789-P813 VanDerWaalsContact CD1-CB 3.43Å; L789-P813 HydrophobicContact CD1-CG 3.51Å; L789-P813 HydrophobicContact CG-CB 4.45Å; L789-A816 HydrophobicContact CB-CB 3.58Å; L789-A816 HydrophobicContact CD1-CB 4.37Å |
| 790 | D | 95.4 | Very high | 92.1 | Very high | 40 Ų | 40 | 40.5 Ų | 40.5 | 21% | 0.214 | 24% | 0.237 | C | C | . | . | trans | -70.5 | 154.6 | 174.8 | -78.2 | -13.3 | 0 | 0 | 0 | 111 | H764 I765 K766 K767 R788 G792 C793 | H764-D790 IonicContact CE1-OD1 3.83Å; H764-D790 PolarHBondContact CE1-OD1 2.93Å; H764-D790 IonicContact NE2-OD1 3.17Å; H764-D790 IonicContact NE2-OD2 3.35Å; I765-D790 PolarHBondContact O-N 2.88Å; K766-D790 WeakPolarHBondContact CA-OD2 3.33Å; K767-D790 HydrophobicContact CB-CB 4.14Å; K767-D790 PolarHBondContact N-OD2 2.97Å; R788-D790 IonicContact CZ-OD1 3.22Å; R788-D790 IonicContact NE-OD1 3.39Å; R788-D790 IonicContact NH2-OD1 2.61Å; D790-G792 PolarHBondContact O-N 2.8Å; D790-C793 HydrophobicContact CB-CB 4.39Å; D790-C793 VanDerWaalsContact O-CB 3.31Å; D790-C793 WeakPolarHBondContact O-CB 3.29Å; D790-C793 PolarHBondContact O-N 2.94Å; D790-C793 PolarHBondContact O-SG 2.94Å | ||
| 791 | A | 93.4 | Very high | 92 | Very high | 51 Ų | 51 | 43 Ų | 43 | 42% | 0.421 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 128.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C793 E815 | A791-C793 VanDerWaalsContact C-N 3.27Å; A791-C793 PolarHBondContact O-N 3.19Å; A791-E815 CarbonylContact C-O 3.58Å; A791-E815 VanDerWaalsContact CA-O 3.32Å; A791-E815 WeakPolarHBondContact CA-O 3.23Å; A791-E815 HydrophobicContact CB-CB 3.96Å |
| 792 | G | 88.9 | Confident | 92 | Very high | 17 Ų | 17 | 43 Ų | 43 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 26.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | D790 F794 G795 E815 | D790-G792 PolarHBondContact O-N 2.8Å; G792-F794 PolarHBondContact O-N 3.4Å; G792-G795 PolarHBondContact O-N 3.34Å; G792-E815 PolarHBondContact N-O 2.65Å |
| 793 | C | 92.2 | Very high | 92 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -22.1 | -175.3 | 59.9 | 0 | 0 | 0 | 0 | 115.1 | I765 K766 F770 D790 A791 G795 | I765-C793 HydrophobicContact CG2-CB 3.95Å; K766-C793 WeakPolarHBondContact O-CB 3.33Å; F770-C793 PolarHBondContact N-O 3.07Å; D790-C793 HydrophobicContact CB-CB 4.39Å; D790-C793 VanDerWaalsContact O-CB 3.31Å; D790-C793 WeakPolarHBondContact O-CB 3.29Å; D790-C793 PolarHBondContact O-N 2.94Å; D790-C793 PolarHBondContact O-SG 2.94Å; A791-C793 VanDerWaalsContact C-N 3.27Å; A791-C793 PolarHBondContact O-N 3.19Å; C793-G795 VanDerWaalsContact C-N 3.26Å; C793-G795 PolarHBondContact O-N 3.43Å |
| 794 | F | 90.8 | Very high | 92 | Very high | 9 Ų | 9 | 41.1 Ų | 41.1 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -7.1 | 178 | -64.7 | -66 | 0 | 0 | 0 | 114.7 | F770 I781 L789 G792 L802 L804 A816 L817 L820 | F770-F794 VanDerWaalsContact CB-O 3.31Å; F770-F794 WeakPolarHBondContact CB-O 3.34Å; F770-F794 AromaticContact CD2-CD1 3.68Å; F770-F794 HydrophobicContact CD2-CD1 3.68Å; F770-F794 HydrophobicContact CD2-CE1 4.27Å; F770-F794 AromaticContact CE2-CD1 3.7Å; F770-F794 HydrophobicContact CE2-CD1 3.7Å; F770-F794 AromaticContact CE2-CE1 3.82Å; F770-F794 HydrophobicContact CE2-CE1 3.82Å; I781-F794 HydrophobicContact CD1-CE1 3.7Å; I781-F794 HydrophobicContact CD1-CZ 3.96Å; L789-F794 HydrophobicContact CD2-CZ 4.2Å; G792-F794 PolarHBondContact O-N 3.4Å; F794-L802 HydrophobicContact CD1-CD1 4.27Å; F794-L802 HydrophobicContact CD1-CD2 4.41Å; F794-L802 HydrophobicContact CD2-CD2 4.09Å; F794-L802 HydrophobicContact CE1-CD1 3.72Å; F794-L802 HydrophobicContact CE1-CD2 4.05Å; F794-L802 HydrophobicContact CE2-CD2 3.7Å; F794-L802 HydrophobicContact CG-CD2 4.44Å; F794-L802 HydrophobicContact CZ-CD1 4.02Å; F794-L802 HydrophobicContact CZ-CD2 3.69Å; F794-L802 HydrophobicContact CZ-CG 4.47Å; F794-L804 HydrophobicContact CE2-CD1 4.48Å; F794-L804 HydrophobicContact CZ-CD1 4.12Å; F794-A816 HydrophobicContact CE2-CB 4.22Å; F794-L817 HydrophobicContact CE2-CD2 4.3Å; F794-L820 HydrophobicContact CB-CD1 3.82Å; F794-L820 HydrophobicContact CB-CD2 3.86Å; F794-L820 HydrophobicContact CB-CG 3.99Å; F794-L820 HydrophobicContact CD2-CD1 3.96Å; F794-L820 HydrophobicContact CG-CD1 4.01Å |
| 795 | G | 80.5 | Confident | 92 | Very high | 19 Ų | 19 | 41.2 Ų | 41.2 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | trans | 72.2 | -148.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | G792 C793 S819 | G792-G795 PolarHBondContact O-N 3.34Å; C793-G795 VanDerWaalsContact C-N 3.26Å; C793-G795 PolarHBondContact O-N 3.43Å; G795-S819 WeakPolarHBondContact O-CB 3.33Å; G795-S819 PolarHBondContact O-OG 3.44Å | ||
| 796 | G | 70.5 | Confident | 92.1 | Very high | 47 Ų | 47 | 39.4 Ų | 39.4 | 49% | 0.485 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -53.3 | 169.7 | -163.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | N798 | G796-N798 PolarHBondContact O-N 2.96Š|
| 797 | E | 76.2 | Confident | 92 | Very high | 93 Ų | 93 | 39.7 Ų | 39.7 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 44.8 | -174.9 | -59.9 | -178 | 168 | 0 | 0 | 113.2 | K822 S823 | E797-K822 HydrophobicContact CB-CB 4.35Å; E797-K822 HydrophobicContact CG-CB 4.41Å; E797-K822 WeakPolarHBondContact OE1-CE 3.47Å; E797-K822 IonicContact OE1-NZ 3.45Å; E797-K822 PolarHBondContact OE1-NZ 3.23Å; E797-K822 WeakPolarHBondContact OE2-CD 3.33Å; E797-K822 IonicContact OE2-NZ 2.65Å; E797-K822 PolarHBondContact OE2-NZ 2.9Å; E797-S823 VanDerWaalsContact C-CB 3.43Å; E797-S823 WeakPolarHBondContact O-CB 3.44Å; E797-S823 PolarHBondContact O-OG 3.44Å |
| 798 | N | 85.9 | Confident | 92.1 | Very high | 66 Ų | 66 | 40.9 Ų | 40.9 | 35% | 0.353 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | -14.5 | -176.6 | -58.2 | -58.2 | 0 | 0 | 0 | 114.5 | E774 M776 G796 L800 S823 | E774-N798 VanDerWaalsContact O-CG 3.31Å; E774-N798 PolarHBondContact O-ND2 2.96Å; M776-N798 CarbonylContact O-C 3.08Å; G796-N798 PolarHBondContact O-N 2.96Å; N798-L800 PolarHBondContact O-N 3.18Å; N798-S823 PolarHBondContact N-OG 2.99Å |
| 799 | L | 92 | Very high | 92.2 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | trans | -69.1 | 120 | -175.1 | -166.2 | 67.9 | 0 | 0 | 0 | 110.8 | M776 V779 L802 L820 S823 L824 | M776-L799 HydrophobicContact CG-CD1 4.25Å; V779-L799 HydrophobicContact CB-CD1 3.93Å; V779-L799 HydrophobicContact CB-CD2 4.25Å; V779-L799 HydrophobicContact CG2-CD1 3.51Å; V779-L799 HydrophobicContact CG2-CD2 4.3Å; L799-L802 HydrophobicContact CD2-CB 3.85Å; L799-L802 HydrophobicContact CD2-CD1 4.02Å; L799-L802 HydrophobicContact CD2-CD2 4.31Å; L799-L802 HydrophobicContact CD2-CG 4.27Å; L799-L820 HydrophobicContact CB-CD1 4.33Å; L799-L820 HydrophobicContact CB-CD2 3.77Å; L799-L820 HydrophobicContact CD2-CD1 3.78Å; L799-L820 HydrophobicContact CD2-CD2 4.46Å; L799-S823 CarbonylContact O-C 3.56Å; L799-S823 WeakPolarHBondContact O-CB 3.39Å; L799-S823 PolarHBondContact O-OG 3.01Å; L799-L824 WeakPolarHBondContact O-CA 3.41Å; L799-L824 PolarHBondContact O-N 3.04Å | ||
| 800 | L | 94.5 | Very high | 92 | Very high | 66 Ų | 66 | 34.6 Ų | 34.6 | 35% | 0.346 | 22% | 0.218 | S | C | . | . | trans | -96.4 | -37.6 | -178.5 | -59.7 | -179.7 | 0 | 0 | 0 | 111.6 | N777 N798 S823 S825 W826 | N777-L800 HydrophobicContact CB-CD1 4.27Å; N777-L800 HydrophobicContact CB-CG 4.31Å; N777-L800 PolarHBondContact O-N 3.43Å; N798-L800 PolarHBondContact O-N 3.18Å; L800-S823 WeakPolarHBondContact CD2-O 3.44Å; L800-S825 PolarHBondContact O-N 3.27Å; L800-W826 PolarHBondContact O-N 2.86Å | ||
| 801 | H | 97 | Very high | 92 | Very high | 74 Ų | 74 | 38.9 Ų | 38.9 | 34% | 0.343 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 121.9 | -176.3 | -54.2 | 71.7 | 0 | 0 | 0 | 110.4 | N777 I778 V779 W826 | N777-H801 PolarHBondContact O-N 3.03Å; I778-H801 WeakPolarHBondContact CA-O 3.33Å; I778-H801 HydrophobicContact CG1-CB 4.19Å; I778-H801 HydrophobicContact CG2-CB 4.43Å; V779-H801 PolarHBondContact N-O 3.23Å; H801-W826 WeakPolarHBondContact CA-O 3.49Å; H801-W826 HydrophobicContact CB-CB 4.33Å; H801-W826 HydrophobicContact CB-CE3 4.27Å; H801-W826 VanDerWaalsContact CD2-CB 3.46Å; H801-W826 WeakPolarHBondContact CD2-CB 3.22Å; H801-W826 AromaticContact CD2-CG 3.83Å |
| 802 | L | 97.5 | Very high | 92 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 117.9 | 176.7 | 178 | 58.1 | 0 | 0 | 0 | 110.2 | V779 I781 F794 L799 L804 L817 L820 L824 W826 L827 D828 | V779-L802 HydrophobicContact CB-CD1 4.14Å; V779-L802 HydrophobicContact CG1-CD1 4.03Å; V779-L802 WeakPolarHBondContact O-CA 3.45Å; I781-L802 HydrophobicContact CD1-CD1 4.22Å; I781-L802 HydrophobicContact CG1-CD1 4.25Å; F794-L802 HydrophobicContact CD1-CD1 4.27Å; F794-L802 HydrophobicContact CD1-CD2 4.41Å; F794-L802 HydrophobicContact CD2-CD2 4.09Å; F794-L802 HydrophobicContact CE1-CD1 3.72Å; F794-L802 HydrophobicContact CE1-CD2 4.05Å; F794-L802 HydrophobicContact CE2-CD2 3.7Å; F794-L802 HydrophobicContact CG-CD2 4.44Å; F794-L802 HydrophobicContact CZ-CD1 4.02Å; F794-L802 HydrophobicContact CZ-CD2 3.69Å; F794-L802 HydrophobicContact CZ-CG 4.47Å; L799-L802 HydrophobicContact CD2-CB 3.85Å; L799-L802 HydrophobicContact CD2-CD1 4.02Å; L799-L802 HydrophobicContact CD2-CD2 4.31Å; L799-L802 HydrophobicContact CD2-CG 4.27Å; L802-L804 HydrophobicContact CD1-CG 4.33Å; L802-L804 HydrophobicContact CD2-CD1 3.83Å; L802-L804 HydrophobicContact CD2-CG 4.44Å; L802-L804 HydrophobicContact CG-CD1 4.11Å; L802-L804 HydrophobicContact CG-CG 4.21Å; L802-L817 HydrophobicContact CD2-CD2 3.79Å; L802-L820 HydrophobicContact CD2-CD1 4.04Å; L802-L824 HydrophobicContact CB-CD1 3.82Å; L802-W826 PolarHBondContact N-O 2.86Å; L802-W826 WeakPolarHBondContact O-CZ3 3.26Å; L802-L827 HydrophobicContact CB-CD1 4.16Å; L802-L827 HydrophobicContact CD2-CD1 4.04Å; L802-L827 HydrophobicContact CG-CD1 4.11Å; L802-D828 PolarHBondContact O-N 2.85Å |
| 803 | N | 98.3 | Very high | 92.3 | Very high | 30 Ų | 30 | 37.1 Ų | 37.1 | 16% | 0.16 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 114.5 | 172.4 | -165.1 | -13.1 | 0 | 0 | 0 | 110.8 | V779 D780 I781 S782 S805 W826 D828 | V779-N803 PolarHBondContact O-N 3.38Å; D780-N803 HydrophobicContact CB-CB 4.33Å; I781-N803 CarbonylContact C-O 3.42Å; I781-N803 VanDerWaalsContact CG1-O 3.24Å; I781-N803 WeakPolarHBondContact CG1-O 3.47Å; I781-N803 PolarHBondContact N-O 3.13Å; S782-N803 WeakPolarHBondContact CB-OD1 3.39Å; S782-N803 PolarHBondContact N-O 2.93Å; N803-S805 VanDerWaalsContact OD1-CB 3.3Å; N803-S805 WeakPolarHBondContact OD1-CB 3.49Å; N803-S805 PolarHBondContact OD1-N 3.29Å; N803-S805 PolarHBondContact OD1-OG 3.29Å; N803-W826 HydrophobicContact CB-CH2 4.27Å; N803-W826 HydrophobicContact CB-CZ3 3.85Å; N803-D828 PolarHBondContact OD1-OD2 2.85Å |
| 804 | L | 98.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -117.3 | 10.6 | 176.9 | -87.7 | 165.5 | 0 | 0 | 0 | 111.7 | I781 I786 L789 F794 L802 N807 L809 P813 L827 D828 L829 N832 | I781-L804 HydrophobicContact CD1-CD2 3.36Å; I781-L804 HydrophobicContact CD1-CG 4Å; I781-L804 HydrophobicContact CG1-CD2 3.78Å; I781-L804 HydrophobicContact CG1-CG 4.16Å; I786-L804 HydrophobicContact CD1-CD2 4.21Å; L789-L804 HydrophobicContact CD1-CD1 4.32Å; L789-L804 HydrophobicContact CD1-CD2 4.33Å; F794-L804 HydrophobicContact CE2-CD1 4.48Å; F794-L804 HydrophobicContact CZ-CD1 4.12Å; L802-L804 HydrophobicContact CD1-CG 4.33Å; L802-L804 HydrophobicContact CD2-CD1 3.83Å; L802-L804 HydrophobicContact CD2-CG 4.44Å; L802-L804 HydrophobicContact CG-CD1 4.11Å; L802-L804 HydrophobicContact CG-CG 4.21Å; L804-N807 PolarHBondContact O-ND2 3.43Å; L804-L809 HydrophobicContact CD2-CD1 4.48Å; L804-P813 HydrophobicContact CD1-CG 4.5Å; L804-L827 HydrophobicContact CD1-CD1 4.46Å; L804-D828 CarbonylContact C-O 3.57Å; L804-D828 WeakPolarHBondContact CA-O 3.44Å; L804-D828 WeakPolarHBondContact CB-O 3.33Å; L804-D828 PolarHBondContact N-O 2.86Å; L804-L829 HydrophobicContact CB-CD2 3.79Å; L804-L829 HydrophobicContact CD1-CD2 3.91Å; L804-N832 PolarHBondContact O-ND2 2.81Å | ||
| 805 | S | 98.4 | Very high | 92.2 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | trans | -61.5 | 158.4 | -176.9 | 62.3 | 0 | 0 | 0 | 0 | 113.2 | S782 S783 N803 N807 D828 S830 | S782-S805 CarbonylContact C-O 3.59Å; S782-S805 WeakPolarHBondContact CA-O 3.49Å; S782-S805 VanDerWaalsContact CB-O 3.31Å; S782-S805 WeakPolarHBondContact CB-O 3.45Å; S782-S805 VanDerWaalsContact CB-OG 3.26Å; S782-S805 WeakPolarHBondContact CB-OG 3.46Å; S783-S805 PolarHBondContact N-O 3.26Å; N803-S805 VanDerWaalsContact OD1-CB 3.3Å; N803-S805 WeakPolarHBondContact OD1-CB 3.49Å; N803-S805 PolarHBondContact OD1-N 3.29Å; N803-S805 PolarHBondContact OD1-OG 3.29Å; S805-N807 PolarHBondContact O-N 3.07Å; S805-N807 PolarHBondContact O-ND2 2.86Å; S805-D828 PolarHBondContact N-O 3.42Å; S805-S830 CarbonylContact C-O 2.97Å; S805-S830 WeakPolarHBondContact CA-O 3.46Å; S805-S830 WeakPolarHBondContact CB-O 3.45Å; S805-S830 WeakPolarHBondContact CB-OG 3.29Å | ||
| 806 | S | 98.2 | Very high | 92.9 | Very high | 46 Ų | 46 | 44.5 Ų | 44.5 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 55.7 | 51.6 | 177 | -56.1 | 0 | 0 | 0 | 0 | 112.8 | S783 N784 S830 F831 | S783-S806 CarbonylContact C-O 3.56Å; S783-S806 WeakPolarHBondContact CA-O 3.39Å; S783-S806 PolarHBondContact N-O 2.87Å; N784-S806 PolarHBondContact N-O 2.75Å; S806-S830 PolarHBondContact N-O 3.11Å; S806-F831 VanDerWaalsContact CA-O 3.24Å; S806-F831 WeakPolarHBondContact CA-O 3.29Å; S806-F831 PolarHBondContact N-O 3.11Å |
| 807 | N | 96.9 | Very high | 93.9 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -124.9 | -166.7 | 176.2 | -86.5 | -72.8 | 0 | 0 | 0 | 110.2 | I781 N784 Q785 I786 L804 S805 N832 | I781-N807 PolarHBondContact O-ND2 3Å; I781-N807 VanDerWaalsContact O-ND2 3.14Å; N784-N807 VanDerWaalsContact CA-OD1 3.26Å; N784-N807 WeakPolarHBondContact CA-OD1 3.42Å; N784-N807 WeakPolarHBondContact CB-OD1 3.34Å; N784-N807 PolarHBondContact N-OD1 3.01Å; N784-N807 PolarHBondContact O-OD1 3Å; Q785-N807 PolarHBondContact N-OD1 3.26Å; I786-N807 HydrophobicContact CB-CB 4.22Å; I786-N807 VanDerWaalsContact CB-OD1 3.26Å; I786-N807 WeakPolarHBondContact CB-OD1 3.32Å; I786-N807 VanDerWaalsContact CG1-OD1 3.3Å; I786-N807 WeakPolarHBondContact CG1-OD1 3.38Å; I786-N807 PolarHBondContact N-OD1 3.36Å; L804-N807 PolarHBondContact O-ND2 3.43Å; S805-N807 PolarHBondContact O-N 3.07Å; S805-N807 PolarHBondContact O-ND2 2.86Å; N807-N832 VanDerWaalsContact CA-OD1 3.28Å; N807-N832 WeakPolarHBondContact CA-OD1 3.41Å; N807-N832 WeakPolarHBondContact CB-OD1 3.42Å; N807-N832 PolarHBondContact N-OD1 2.93Å; N807-N832 PolarHBondContact O-OD1 3.01Å |
| 808 | L | 97.4 | Very high | 94.6 | Very high | 100 Ų | 100 | 39.9 Ų | 39.9 | 52% | 0.524 | 21% | 0.213 | S | C | . | . | trans | -113.8 | 31.2 | -176.5 | -59.5 | 178 | 0 | 0 | 0 | 112.2 | Q785 I786 G810 N832 | Q785-L808 HydrophobicContact CB-CD1 4.11Å; I786-L808 CarbonylContact O-C 3.58Å; I786-L808 VanDerWaalsContact O-C 3.26Å; I786-L808 WeakPolarHBondContact O-CA 3.41Å; I786-L808 PolarHBondContact O-N 2.92Å; L808-G810 PolarHBondContact O-N 3.36Å; L808-N832 PolarHBondContact N-OD1 2.77Å | ||
| 809 | L | 97.5 | Very high | 94.7 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | trans | -72.4 | 120.2 | 179.7 | -61.7 | 174 | 0 | 0 | 0 | 110.2 | I786 L789 L804 P813 L829 N832 S833 I834 | I786-L809 HydrophobicContact CG2-CD2 4.22Å; I786-L809 PolarHBondContact O-N 3.44Å; L789-L809 HydrophobicContact CD1-CD1 4.39Å; L789-L809 HydrophobicContact CD1-CD2 3.96Å; L789-L809 HydrophobicContact CG-CD2 4.47Å; L804-L809 HydrophobicContact CD2-CD1 4.48Å; L809-P813 HydrophobicContact CD1-CG 4.26Å; L809-L829 HydrophobicContact CD1-CD2 3.84Å; L809-N832 HydrophobicContact CB-CB 4.2Å; L809-N832 WeakPolarHBondContact CB-OD1 3.17Å; L809-N832 WeakPolarHBondContact CG-OD1 3.4Å; L809-N832 PolarHBondContact N-OD1 2.79Å; L809-S833 CarbonylContact O-C 3.52Å; L809-S833 WeakPolarHBondContact O-CA 3.26Å; L809-S833 PolarHBondContact O-N 3.42Å; L809-I834 HydrophobicContact CB-CG1 4.43Å; L809-I834 PolarHBondContact O-N 3.38Å | ||
| 810 | G | 93 | Very high | 94.7 | Very high | 37 Ų | 37 | 37.6 Ų | 37.6 | 38% | 0.381 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -84.7 | -15.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L808 S833 I834 E835 | L808-G810 PolarHBondContact O-N 3.36Å; G810-S833 WeakPolarHBondContact CA-O 3.35Å; G810-I834 WeakPolarHBondContact O-CA 3.27Å; G810-E835 PolarHBondContact O-N 2.93Å |
| 811 | K | 94.7 | Very high | 94.4 | Very high | 130 Ų | 130 | 36.5 Ų | 36.5 | 57% | 0.565 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -144.7 | 157 | 179.3 | -65.7 | -167.8 | 170.8 | -149.8 | 0 | 110.2 | E838 | K811-E838 IonicContact NZ-OE1 2.71Å; K811-E838 PolarHBondContact NZ-OE1 2.83Å |
| 812 | I | 94.4 | Very high | 94 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 7% | 0.067 | 21% | 0.208 | C | C | . | . | trans | -63.1 | 126.8 | 170 | -67.5 | 158.2 | 0 | 0 | 0 | 108.9 | Y814 L817 L829 I834 V837 L841 F842 L853 | I812-Y814 VanDerWaalsContact C-N 3.27Å; I812-Y814 PolarHBondContact O-N 3.45Å; I812-L817 HydrophobicContact CG2-CD1 4.43Å; I812-L829 HydrophobicContact CG1-CD1 4.3Å; I812-L829 HydrophobicContact CG2-CD1 4.4Å; I812-I834 HydrophobicContact CD1-CG2 4.45Å; I812-I834 HydrophobicContact CG1-CD1 4.03Å; I812-I834 HydrophobicContact CG1-CG2 4Å; I812-V837 HydrophobicContact CD1-CB 4.17Å; I812-V837 HydrophobicContact CD1-CG1 3.89Å; I812-V837 HydrophobicContact CD1-CG2 3.87Å; I812-L841 HydrophobicContact CB-CD1 4.28Å; I812-L841 HydrophobicContact CD1-CD1 4.16Å; I812-F842 HydrophobicContact CD1-CE1 4.37Å; I812-F842 HydrophobicContact CD1-CE2 3.81Å; I812-F842 HydrophobicContact CD1-CZ 3.43Å; I812-F842 VanDerWaalsContact CD1-CZ 3.43Å; I812-F842 HydrophobicContact CG1-CZ 4.09Å; I812-F842 HydrophobicContact CG2-CE1 3.61Å; I812-F842 HydrophobicContact CG2-CZ 3.8Å; I812-L853 HydrophobicContact CD1-CD2 4.46Å; I812-L853 HydrophobicContact CG1-CD2 4.42Å | ||
| 813 | P | 93.4 | Very high | 93.7 | Very high | 19 Ų | 19 | 39.7 Ų | 39.7 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | trans | -84.7 | 62.3 | -171.8 | 35.6 | -38.1 | 0 | 0 | 0 | 112.5 | L789 L804 L809 E815 A816 L817 | L789-P813 HydrophobicContact CB-CB 4.34Å; L789-P813 HydrophobicContact CD1-CB 3.43Å; L789-P813 VanDerWaalsContact CD1-CB 3.43Å; L789-P813 HydrophobicContact CD1-CG 3.51Å; L789-P813 HydrophobicContact CG-CB 4.45Å; L804-P813 HydrophobicContact CD1-CG 4.5Å; L809-P813 HydrophobicContact CD1-CG 4.26Å; P813-E815 PolarHBondContact O-N 2.87Å; P813-A816 HydrophobicContact CB-CB 4.16Å; P813-A816 WeakPolarHBondContact O-CB 3.06Å; P813-A816 PolarHBondContact O-N 3.05Å; P813-L817 HydrophobicContact CG-CD1 4.41Å; P813-L817 HydrophobicContact CG-CG 4.4Å; P813-L817 WeakPolarHBondContact O-CG 3.44Å; P813-L817 PolarHBondContact O-N 3.11Å; P813-L817 VanDerWaalsContact O-N 3.11Å | ||
| 814 | Y | 90.8 | Very high | 93.5 | Very high | 63 Ų | 63 | 38.2 Ų | 38.2 | 25% | 0.247 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -51.1 | -49.2 | -175 | 175.1 | -112.2 | 0 | 0 | 0 | 114 | I812 A816 L817 S818 M821 L841 | I812-Y814 VanDerWaalsContact C-N 3.27Å; I812-Y814 PolarHBondContact O-N 3.45Å; Y814-A816 PolarHBondContact O-N 3.03Å; Y814-L817 CarbonylContact O-C 3.55Å; Y814-L817 PolarHBondContact O-N 3.18Å; Y814-S818 PolarHBondContact O-N 2.96Å; Y814-M821 HydrophobicContact CE2-CE 3.73Å; Y814-M821 VanDerWaalsContact OH-CE 3.23Å; Y814-M821 WeakPolarHBondContact OH-CE 3.35Å; Y814-L841 WeakPolarHBondContact CD2-O 3.31Å; Y814-L841 WeakPolarHBondContact CE2-O 3.14Å; Y814-L841 HydrophobicContact CG-CD2 4.28Å |
| 815 | E | 91.4 | Very high | 93.4 | Very high | 119 Ų | 119 | 39.7 Ų | 39.7 | 56% | 0.556 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -58.9 | -34.4 | -180 | -66.3 | -61.9 | 151.1 | 0 | 0 | 112.4 | A791 G792 P813 S818 | A791-E815 CarbonylContact C-O 3.58Å; A791-E815 VanDerWaalsContact CA-O 3.32Å; A791-E815 WeakPolarHBondContact CA-O 3.23Å; A791-E815 HydrophobicContact CB-CB 3.96Å; G792-E815 PolarHBondContact N-O 2.65Å; P813-E815 PolarHBondContact O-N 2.87Å; E815-S818 WeakPolarHBondContact O-CB 3.26Å; E815-S818 PolarHBondContact O-OG 2.99Å |
| 816 | A | 93.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.4 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L789 F794 P813 Y814 S818 S819 | L789-A816 HydrophobicContact CB-CB 3.58Å; L789-A816 HydrophobicContact CD1-CB 4.37Å; F794-A816 HydrophobicContact CE2-CB 4.22Å; P813-A816 HydrophobicContact CB-CB 4.16Å; P813-A816 WeakPolarHBondContact O-CB 3.06Å; P813-A816 PolarHBondContact O-N 3.05Å; Y814-A816 PolarHBondContact O-N 3.03Å; A816-S818 VanDerWaalsContact C-N 3.26Å; A816-S818 PolarHBondContact O-N 3.1Å; A816-S819 PolarHBondContact O-OG 3.33Å |
| 817 | L | 93.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.3 | -14.3 | 178.4 | -61.8 | 174.4 | 0 | 0 | 0 | 113.3 | F794 L802 I812 P813 Y814 S819 L820 L824 L827 L845 | F794-L817 HydrophobicContact CE2-CD2 4.3Å; L802-L817 HydrophobicContact CD2-CD2 3.79Å; I812-L817 HydrophobicContact CG2-CD1 4.43Å; P813-L817 HydrophobicContact CG-CD1 4.41Å; P813-L817 HydrophobicContact CG-CG 4.4Å; P813-L817 WeakPolarHBondContact O-CG 3.44Å; P813-L817 PolarHBondContact O-N 3.11Å; P813-L817 VanDerWaalsContact O-N 3.11Å; Y814-L817 CarbonylContact O-C 3.55Å; Y814-L817 PolarHBondContact O-N 3.18Å; L817-S819 PolarHBondContact O-N 3.28Å; L817-S819 VanDerWaalsContact O-N 3.11Å; L817-L820 HydrophobicContact CD2-CD1 4.31Å; L817-L820 WeakPolarHBondContact O-CA 3.46Å; L817-L820 WeakPolarHBondContact O-CB 3.45Å; L817-L820 PolarHBondContact O-N 3.1Å; L817-L824 HydrophobicContact CD2-CD2 4.15Å; L817-L827 HydrophobicContact CD1-CD2 3.8Å; L817-L827 HydrophobicContact CD2-CD1 4.44Å; L817-L827 HydrophobicContact CD2-CD2 4.46Å; L817-L845 HydrophobicContact CD1-CD1 4.47Å |
| 818 | S | 89.9 | Confident | 93.4 | Very high | 41 Ų | 41 | 39.6 Ų | 39.6 | 29% | 0.287 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -53 | -34.6 | -179.3 | 64.9 | 0 | 0 | 0 | 0 | 114 | Y814 E815 A816 L820 M821 | Y814-S818 PolarHBondContact O-N 2.96Å; E815-S818 WeakPolarHBondContact O-CB 3.26Å; E815-S818 PolarHBondContact O-OG 2.99Å; A816-S818 VanDerWaalsContact C-N 3.26Å; A816-S818 PolarHBondContact O-N 3.1Å; S818-L820 PolarHBondContact O-N 3.44Å; S818-M821 WeakPolarHBondContact O-CG 3.44Å; S818-M821 VanDerWaalsContact O-SD 3.39Å |
| 819 | S | 87.9 | Confident | 93.5 | Very high | 25 Ų | 25 | 34.8 Ų | 34.8 | 18% | 0.175 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -69.7 | -16.8 | 176.5 | 59.1 | 0 | 0 | 0 | 0 | 114.5 | G795 A816 L817 | G795-S819 WeakPolarHBondContact O-CB 3.33Å; G795-S819 PolarHBondContact O-OG 3.44Å; A816-S819 PolarHBondContact O-OG 3.33Å; L817-S819 PolarHBondContact O-N 3.28Å; L817-S819 VanDerWaalsContact O-N 3.11Å |
| 820 | L | 91.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -105.4 | 5.3 | -175.6 | -51.1 | -178.9 | 0 | 0 | 0 | 113.2 | F794 L799 L802 L817 S818 K822 S823 L824 | F794-L820 HydrophobicContact CB-CD1 3.82Å; F794-L820 HydrophobicContact CB-CD2 3.86Å; F794-L820 HydrophobicContact CB-CG 3.99Å; F794-L820 HydrophobicContact CD2-CD1 3.96Å; F794-L820 HydrophobicContact CG-CD1 4.01Å; L799-L820 HydrophobicContact CB-CD1 4.33Å; L799-L820 HydrophobicContact CB-CD2 3.77Å; L799-L820 HydrophobicContact CD2-CD1 3.78Å; L799-L820 HydrophobicContact CD2-CD2 4.46Å; L802-L820 HydrophobicContact CD2-CD1 4.04Å; L817-L820 HydrophobicContact CD2-CD1 4.31Å; L817-L820 WeakPolarHBondContact O-CA 3.46Å; L817-L820 WeakPolarHBondContact O-CB 3.45Å; L817-L820 PolarHBondContact O-N 3.1Å; S818-L820 PolarHBondContact O-N 3.44Å; L820-K822 PolarHBondContact O-N 3.44Å; L820-S823 PolarHBondContact O-N 2.99Å; L820-S823 PolarHBondContact O-OG 3.31Å; L820-L824 HydrophobicContact CB-CB 4.01Å; L820-L824 HydrophobicContact CD1-CD1 4.27Å; L820-L824 HydrophobicContact CD1-CD2 4.38Å; L820-L824 PolarHBondContact O-N 3.4Å |
| 821 | M | 89.2 | Confident | 93.7 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 21% | 0.212 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -34.3 | -176.6 | -75.3 | 173.1 | 172.3 | 0 | 0 | 113.6 | Y814 S818 E844 L845 | Y814-M821 HydrophobicContact CE2-CE 3.73Å; Y814-M821 VanDerWaalsContact OH-CE 3.23Å; Y814-M821 WeakPolarHBondContact OH-CE 3.35Å; S818-M821 WeakPolarHBondContact O-CG 3.44Å; S818-M821 VanDerWaalsContact O-SD 3.39Å; M821-E844 HydrophobicContact CB-CB 4.27Å; M821-E844 HydrophobicContact CE-CB 3.69Å; M821-E844 HydrophobicContact CE-CG 4.07Å; M821-E844 HydrophobicContact CG-CB 3.74Å; M821-E844 HydrophobicContact SD-CB 3.46Å; M821-E844 WeakPolarHBondContact SD-CB 3.19Å; M821-E844 HydrophobicContact SD-CG 4.09Å; M821-L845 HydrophobicContact CG-CD2 4.47Å |
| 822 | K | 87.9 | Confident | 93.8 | Very high | 132 Ų | 132 | 32.7 Ų | 32.7 | 57% | 0.574 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -9.9 | -179.3 | -52.1 | -152 | -158.7 | 111.3 | 0 | 115.2 | E797 L820 N847 | E797-K822 HydrophobicContact CB-CB 4.35Å; E797-K822 HydrophobicContact CG-CB 4.41Å; E797-K822 WeakPolarHBondContact OE1-CE 3.47Å; E797-K822 IonicContact OE1-NZ 3.45Å; E797-K822 PolarHBondContact OE1-NZ 3.23Å; E797-K822 WeakPolarHBondContact OE2-CD 3.33Å; E797-K822 IonicContact OE2-NZ 2.65Å; E797-K822 PolarHBondContact OE2-NZ 2.9Å; L820-K822 PolarHBondContact O-N 3.44Å; K822-N847 PolarHBondContact O-ND2 3.45Å |
| 823 | S | 92.1 | Very high | 93.8 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 6% | 0.056 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -39.7 | -171.9 | 41.1 | 0 | 0 | 0 | 0 | 115.3 | E797 N798 L799 L800 L820 S825 | E797-S823 VanDerWaalsContact C-CB 3.43Å; E797-S823 WeakPolarHBondContact O-CB 3.44Å; E797-S823 PolarHBondContact O-OG 3.44Å; N798-S823 PolarHBondContact N-OG 2.99Å; L799-S823 CarbonylContact O-C 3.56Å; L799-S823 WeakPolarHBondContact O-CB 3.39Å; L799-S823 PolarHBondContact O-OG 3.01Å; L800-S823 WeakPolarHBondContact CD2-O 3.44Å; L820-S823 PolarHBondContact O-N 2.99Å; L820-S823 PolarHBondContact O-OG 3.31Å; S823-S825 PolarHBondContact O-N 3.08Å |
| 824 | L | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -60.7 | 122.6 | -166.3 | -165.2 | 63.3 | 0 | 0 | 0 | 111.8 | L799 L802 L817 L820 L827 L845 N847 M848 | L799-L824 WeakPolarHBondContact O-CA 3.41Å; L799-L824 PolarHBondContact O-N 3.04Å; L802-L824 HydrophobicContact CB-CD1 3.82Å; L817-L824 HydrophobicContact CD2-CD2 4.15Å; L820-L824 HydrophobicContact CB-CB 4.01Å; L820-L824 HydrophobicContact CD1-CD1 4.27Å; L820-L824 HydrophobicContact CD1-CD2 4.38Å; L820-L824 PolarHBondContact O-N 3.4Å; L824-L827 HydrophobicContact CD2-CB 4.02Å; L824-L827 HydrophobicContact CD2-CD1 4.32Å; L824-L827 HydrophobicContact CD2-CD2 4.08Å; L824-L827 HydrophobicContact CD2-CG 4.37Å; L824-L827 HydrophobicContact CG-CB 4.5Å; L824-L845 HydrophobicContact CB-CD2 4.08Å; L824-L845 HydrophobicContact CD2-CD2 4.19Å; L824-N847 CarbonylContact O-C 3.56Å; L824-M848 VanDerWaalsContact O-CA 3.31Å; L824-M848 WeakPolarHBondContact O-CA 3.43Å; L824-M848 PolarHBondContact O-N 3.3Å; L824-M848 VanDerWaalsContact O-N 3.13Å | ||
| 825 | S | 95.2 | Very high | 94 | Very high | 31 Ų | 31 | 35.4 Ų | 35.4 | 22% | 0.217 | 18% | 0.178 | C | C | . | . | trans | -110.9 | -32.4 | -178.9 | -169.7 | 0 | 0 | 0 | 0 | 112.1 | L800 S823 T849 Q850 | L800-S825 PolarHBondContact O-N 3.27Å; S823-S825 PolarHBondContact O-N 3.08Å; S825-T849 WeakPolarHBondContact O-CA 3.23Å; S825-T849 PolarHBondContact O-N 2.78Å; S825-T849 PolarHBondContact O-OG1 2.77Å; S825-T849 PolarHBondContact OG-OG1 2.8Å; S825-Q850 PolarHBondContact O-N 3.21Å | ||
| 826 | W | 97.7 | Very high | 93.7 | Very high | 49 Ų | 49 | 31.5 Ų | 31.5 | 19% | 0.186 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 124.4 | -177.2 | -172.7 | 99.8 | 0 | 0 | 0 | 109.8 | L800 H801 L802 N803 D828 Q850 L852 | L800-W826 PolarHBondContact O-N 2.86Å; H801-W826 WeakPolarHBondContact CA-O 3.49Å; H801-W826 HydrophobicContact CB-CB 4.33Å; H801-W826 HydrophobicContact CB-CE3 4.27Å; H801-W826 VanDerWaalsContact CD2-CB 3.46Å; H801-W826 WeakPolarHBondContact CD2-CB 3.22Å; H801-W826 AromaticContact CD2-CG 3.83Å; L802-W826 PolarHBondContact N-O 2.86Å; L802-W826 WeakPolarHBondContact O-CZ3 3.26Å; N803-W826 HydrophobicContact CB-CH2 4.27Å; N803-W826 HydrophobicContact CB-CZ3 3.85Å; W826-D828 HydrophobicContact CE3-CB 4.3Å; W826-D828 HydrophobicContact CH2-CB 3.16Å; W826-D828 HydrophobicContact CZ2-CB 3.81Å; W826-D828 HydrophobicContact CZ3-CB 3.43Å; W826-D828 VanDerWaalsContact CZ3-CB 3.43Å; W826-Q850 VanDerWaalsContact CD1-CB 3.45Å; W826-Q850 HydrophobicContact CG-CB 4.21Å; W826-L852 HydrophobicContact CH2-CD1 4.49Å; W826-L852 HydrophobicContact CZ2-CD1 3.74Å |
| 827 | L | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 124.5 | 179.8 | 177.3 | 59.1 | 0 | 0 | 0 | 110.4 | L802 L804 L817 L824 L829 M848 Q850 L851 L852 | L802-L827 HydrophobicContact CB-CD1 4.16Å; L802-L827 HydrophobicContact CD2-CD1 4.04Å; L802-L827 HydrophobicContact CG-CD1 4.11Å; L804-L827 HydrophobicContact CD1-CD1 4.46Å; L817-L827 HydrophobicContact CD1-CD2 3.8Å; L817-L827 HydrophobicContact CD2-CD1 4.44Å; L817-L827 HydrophobicContact CD2-CD2 4.46Å; L824-L827 HydrophobicContact CD2-CB 4.02Å; L824-L827 HydrophobicContact CD2-CD1 4.32Å; L824-L827 HydrophobicContact CD2-CD2 4.08Å; L824-L827 HydrophobicContact CD2-CG 4.37Å; L824-L827 HydrophobicContact CG-CB 4.5Å; L827-L829 HydrophobicContact CD1-CD2 4.47Å; L827-L829 HydrophobicContact CD1-CG 4.14Å; L827-L829 HydrophobicContact CD2-CD1 3.87Å; L827-L829 HydrophobicContact CD2-CG 4.3Å; L827-L829 HydrophobicContact CG-CD1 4.14Å; L827-L829 HydrophobicContact CG-CG 4.05Å; L827-M848 HydrophobicContact CB-SD 3.99Å; L827-M848 HydrophobicContact CD2-SD 4.24Å; L827-Q850 PolarHBondContact N-O 3.24Å; L827-L851 HydrophobicContact CB-CD1 4.24Å; L827-L851 HydrophobicContact CD2-CD1 4Å; L827-L851 HydrophobicContact CG-CD1 4.16Å; L827-L851 WeakPolarHBondContact O-CA 3.11Å; L827-L852 PolarHBondContact O-N 2.87Å |
| 828 | D | 98.6 | Very high | 93 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.7 | 173.7 | -176.1 | -0 | 0 | 0 | 0 | 111.3 | L802 N803 L804 S805 W826 S830 L852 | L802-D828 PolarHBondContact O-N 2.85Å; N803-D828 PolarHBondContact OD1-OD2 2.85Å; L804-D828 CarbonylContact C-O 3.57Å; L804-D828 WeakPolarHBondContact CA-O 3.44Å; L804-D828 WeakPolarHBondContact CB-O 3.33Å; L804-D828 PolarHBondContact N-O 2.86Å; S805-D828 PolarHBondContact N-O 3.42Å; W826-D828 HydrophobicContact CE3-CB 4.3Å; W826-D828 HydrophobicContact CH2-CB 3.16Å; W826-D828 HydrophobicContact CZ2-CB 3.81Å; W826-D828 HydrophobicContact CZ3-CB 3.43Å; W826-D828 VanDerWaalsContact CZ3-CB 3.43Å; D828-S830 WeakPolarHBondContact OD1-CB 3.5Å; D828-S830 PolarHBondContact OD1-N 3.09Å; D828-S830 PolarHBondContact OD1-OG 2.59Å; D828-L852 HydrophobicContact CB-CB 4.18Å; D828-L852 HydrophobicContact CB-CD1 4.05Å; D828-L852 HydrophobicContact CB-CG 4.43Å |
| 829 | L | 98.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -120.2 | 14.8 | 178.3 | -70.8 | 169 | 0 | 0 | 0 | 111.2 | L804 L809 I812 L827 N832 I834 L852 L853 N856 | L804-L829 HydrophobicContact CB-CD2 3.79Å; L804-L829 HydrophobicContact CD1-CD2 3.91Å; L809-L829 HydrophobicContact CD1-CD2 3.84Å; I812-L829 HydrophobicContact CG1-CD1 4.3Å; I812-L829 HydrophobicContact CG2-CD1 4.4Å; L827-L829 HydrophobicContact CD1-CD2 4.47Å; L827-L829 HydrophobicContact CD1-CG 4.14Å; L827-L829 HydrophobicContact CD2-CD1 3.87Å; L827-L829 HydrophobicContact CD2-CG 4.3Å; L827-L829 HydrophobicContact CG-CD1 4.14Å; L827-L829 HydrophobicContact CG-CG 4.05Å; L829-N832 PolarHBondContact O-ND2 3.22Å; L829-I834 HydrophobicContact CB-CD1 4.06Å; L829-I834 HydrophobicContact CD1-CD1 4.38Å; L829-L852 CarbonylContact C-O 3.54Å; L829-L852 WeakPolarHBondContact CA-O 3.31Å; L829-L852 PolarHBondContact N-O 3.5Å; L829-L853 HydrophobicContact CB-CD2 3.85Å; L829-L853 HydrophobicContact CD1-CD2 3.95Å; L829-N856 PolarHBondContact O-ND2 3.34Å | ||
| 830 | S | 98 | Very high | 92.5 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | trans | -61.4 | 158.3 | -177.9 | 64 | 0 | 0 | 0 | 0 | 112.7 | S805 S806 D828 N832 L852 N854 | S805-S830 CarbonylContact C-O 2.97Å; S805-S830 WeakPolarHBondContact CA-O 3.46Å; S805-S830 WeakPolarHBondContact CB-O 3.45Å; S805-S830 WeakPolarHBondContact CB-OG 3.29Å; S806-S830 PolarHBondContact N-O 3.11Å; D828-S830 WeakPolarHBondContact OD1-CB 3.5Å; D828-S830 PolarHBondContact OD1-N 3.09Å; D828-S830 PolarHBondContact OD1-OG 2.59Å; S830-N832 VanDerWaalsContact C-N 3.27Å; S830-N832 PolarHBondContact O-N 3.38Å; S830-N832 PolarHBondContact O-ND2 2.99Å; S830-L852 PolarHBondContact N-O 2.92Å; S830-N854 CarbonylContact C-O 3.55Å; S830-N854 WeakPolarHBondContact CA-O 2.91Å; S830-N854 WeakPolarHBondContact CB-O 3.24Å; S830-N854 WeakPolarHBondContact CB-OD1 3.37Å | ||
| 831 | F | 97.6 | Very high | 92.2 | Very high | 113 Ų | 113 | 41 Ų | 41 | 50% | 0.496 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 54.8 | 38.7 | 177.6 | -57.9 | -82.5 | 0 | 0 | 0 | 114.2 | S806 N854 S855 | S806-F831 VanDerWaalsContact CA-O 3.24Å; S806-F831 WeakPolarHBondContact CA-O 3.29Å; S806-F831 PolarHBondContact N-O 3.11Å; F831-N854 PolarHBondContact N-O 2.63Å; F831-S855 WeakPolarHBondContact CA-O 3.49Å; F831-S855 VanDerWaalsContact CD1-CB 3.48Å; F831-S855 VanDerWaalsContact CE1-CB 3.49Å; F831-S855 WeakPolarHBondContact CE1-OG 3.2Å; F831-S855 PolarHBondContact N-O 2.87Å |
| 832 | N | 95.9 | Very high | 92.1 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -105.9 | -160.7 | 170.5 | -84.9 | -86.1 | 0 | 0 | 0 | 109.9 | L804 N807 L808 L809 L829 S830 I834 N856 | L804-N832 PolarHBondContact O-ND2 2.81Å; N807-N832 VanDerWaalsContact CA-OD1 3.28Å; N807-N832 WeakPolarHBondContact CA-OD1 3.41Å; N807-N832 WeakPolarHBondContact CB-OD1 3.42Å; N807-N832 PolarHBondContact N-OD1 2.93Å; N807-N832 PolarHBondContact O-OD1 3.01Å; L808-N832 PolarHBondContact N-OD1 2.77Å; L809-N832 HydrophobicContact CB-CB 4.2Å; L809-N832 WeakPolarHBondContact CB-OD1 3.17Å; L809-N832 WeakPolarHBondContact CG-OD1 3.4Å; L809-N832 PolarHBondContact N-OD1 2.79Å; L829-N832 PolarHBondContact O-ND2 3.22Å; S830-N832 VanDerWaalsContact C-N 3.27Å; S830-N832 PolarHBondContact O-N 3.38Å; S830-N832 PolarHBondContact O-ND2 2.99Å; N832-I834 HydrophobicContact CB-CD1 4.29Å; N832-I834 HydrophobicContact CB-CG1 4.15Å; N832-N856 VanDerWaalsContact CA-OD1 3.24Å; N832-N856 WeakPolarHBondContact CA-OD1 3.06Å; N832-N856 WeakPolarHBondContact CB-OD1 3.48Å; N832-N856 PolarHBondContact N-OD1 3.46Å; N832-N856 PolarHBondContact O-OD1 3.26Å |
| 833 | S | 95.9 | Very high | 92 | Very high | 38 Ų | 38 | 33.9 Ų | 33.9 | 27% | 0.266 | 18% | 0.179 | S | C | . | . | trans | -120.6 | 33 | 176.1 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | L809 G810 E835 N856 | L809-S833 CarbonylContact O-C 3.52Å; L809-S833 WeakPolarHBondContact O-CA 3.26Å; L809-S833 PolarHBondContact O-N 3.42Å; G810-S833 WeakPolarHBondContact CA-O 3.35Å; S833-E835 PolarHBondContact O-N 3.24Å; S833-N856 PolarHBondContact N-OD1 3.23Å | ||
| 834 | I | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -67.7 | 124.2 | -176.9 | -61.7 | 169.1 | 0 | 0 | 0 | 109.4 | L809 G810 I812 L829 N832 S836 L853 N856 R857 I858 | L809-I834 HydrophobicContact CB-CG1 4.43Å; L809-I834 PolarHBondContact O-N 3.38Å; G810-I834 WeakPolarHBondContact O-CA 3.27Å; I812-I834 HydrophobicContact CD1-CG2 4.45Å; I812-I834 HydrophobicContact CG1-CD1 4.03Å; I812-I834 HydrophobicContact CG1-CG2 4Å; L829-I834 HydrophobicContact CB-CD1 4.06Å; L829-I834 HydrophobicContact CD1-CD1 4.38Å; N832-I834 HydrophobicContact CB-CD1 4.29Å; N832-I834 HydrophobicContact CB-CG1 4.15Å; I834-S836 WeakPolarHBondContact CG2-O 3.15Å; I834-L853 HydrophobicContact CD1-CD2 4.1Å; I834-N856 HydrophobicContact CB-CB 4.19Å; I834-N856 WeakPolarHBondContact CB-OD1 3.23Å; I834-N856 WeakPolarHBondContact CG1-OD1 3.48Å; I834-N856 PolarHBondContact N-OD1 2.68Å; I834-R857 CarbonylContact O-C 3.52Å; I834-R857 VanDerWaalsContact O-CA 3.29Å; I834-R857 WeakPolarHBondContact O-CA 3.5Å; I834-R857 PolarHBondContact O-N 2.71Å; I834-I858 HydrophobicContact CG2-CD1 4.46Å; I834-I858 HydrophobicContact CG2-CG1 4.14Å; I834-I858 WeakPolarHBondContact O-CG1 3.43Å; I834-I858 PolarHBondContact O-N 3.45Å; I834-I858 VanDerWaalsContact O-N 3.12Å | ||
| 835 | E | 91.1 | Very high | 91.6 | Very high | 114 Ų | 114 | 37 Ų | 37 | 53% | 0.533 | 19% | 0.193 | S | C | . | . | trans | -96.2 | -22.3 | -174.6 | -61.7 | -172.5 | 170 | 0 | 0 | 114.3 | G810 S833 R857 I858 K859 | G810-E835 PolarHBondContact O-N 2.93Å; S833-E835 PolarHBondContact O-N 3.24Å; E835-R857 WeakPolarHBondContact CA-O 3.43Å; E835-R857 HydrophobicContact CG-CB 4.35Å; E835-I858 WeakPolarHBondContact O-CA 3.4Å; E835-K859 PolarHBondContact O-N 2.81Å | ||
| 836 | S | 86.2 | Confident | 91.3 | Very high | 36 Ų | 36 | 42.6 Ų | 42.6 | 25% | 0.252 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 153.6 | -179 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | I834 | I834-S836 WeakPolarHBondContact CG2-O 3.15Å |
| 837 | V | 89.1 | Confident | 91 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 93.4 | 165.3 | -172.6 | 0 | 0 | 0 | 0 | 107.3 | I812 F842 L853 I858 I861 A865 | I812-V837 HydrophobicContact CD1-CB 4.17Å; I812-V837 HydrophobicContact CD1-CG1 3.89Å; I812-V837 HydrophobicContact CD1-CG2 3.87Å; V837-F842 HydrophobicContact CG1-CD2 4.32Å; V837-F842 HydrophobicContact CG1-CE2 3.74Å; V837-L853 HydrophobicContact CG2-CD1 4.27Å; V837-I858 HydrophobicContact CG2-CD1 3.84Å; V837-I858 HydrophobicContact CG2-CG1 4.42Å; V837-I858 HydrophobicContact CG2-CG2 4.28Å; V837-I861 HydrophobicContact CB-CD1 4.39Å; V837-I861 HydrophobicContact CG2-CD1 4.09Å; V837-A865 HydrophobicContact CB-CB 4.27Å; V837-A865 HydrophobicContact CG1-CB 3.86Å |
| 838 | E | 83.2 | Confident | 90.8 | Very high | 79 Ų | 79 | 43 Ų | 43 | 37% | 0.369 | 21% | 0.214 | S | C | . | . | trans | -61.4 | 149.7 | -180 | -53.1 | 177 | -175.9 | 0 | 0 | 110.6 | K811 L841 | K811-E838 IonicContact NZ-OE1 2.71Å; K811-E838 PolarHBondContact NZ-OE1 2.83Å; E838-L841 HydrophobicContact CB-CD1 3.63Å; E838-L841 HydrophobicContact CB-CD2 4.29Å; E838-L841 HydrophobicContact CB-CG 3.79Å; E838-L841 HydrophobicContact CG-CD1 4.2Å; E838-L841 VanDerWaalsContact N-CD1 3.3Å; E838-L841 VanDerWaalsContact O-CG 3.3Å; E838-L841 WeakPolarHBondContact O-CG 3.47Å | ||
| 839 | P | 83.8 | Confident | 90.7 | Very high | 78 Ų | 78 | 44 Ų | 44 | 51% | 0.506 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 138.7 | 179.3 | -23.8 | 31.1 | 0 | 0 | 0 | 113 | L841 S862 A864 | P839-L841 PolarHBondContact O-N 3.25Å; P839-L841 VanDerWaalsContact O-N 3.1Å; P839-S862 WeakPolarHBondContact CG-OG 3.47Å; P839-A864 HydrophobicContact CB-CB 4.13Å |
| 840 | E | 83 | Confident | 90.6 | Very high | 85 Ų | 85 | 47.3 Ų | 47.3 | 40% | 0.397 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 7.8 | 171.9 | -39 | -162.3 | 171 | 0 | 0 | 116 | F842 S843 A864 K867 | E840-F842 PolarHBondContact O-N 3.15Å; E840-F842 VanDerWaalsContact O-N 3.15Å; E840-S843 WeakPolarHBondContact O-CB 3.45Å; E840-S843 PolarHBondContact O-N 3.38Å; E840-S843 PolarHBondContact O-OG 3.26Å; E840-A864 HydrophobicContact CG-CB 3.92Å; E840-A864 PolarHBondContact N-O 2.99Å; E840-K867 HydrophobicContact CB-CD 4.31Å; E840-K867 VanDerWaalsContact CD-CD 3.45Å; E840-K867 HydrophobicContact CG-CB 4.49Å; E840-K867 HydrophobicContact CG-CD 3.6Å; E840-K867 WeakPolarHBondContact OE1-CD 3.09Å; E840-K867 IonicContact OE1-NZ 3.91Å; E840-K867 PolarHBondContact OE1-NZ 3.35Å; E840-K867 IonicContact OE2-NZ 2.77Å; E840-K867 PolarHBondContact OE2-NZ 3.3Å; E840-K867 VanDerWaalsContact OE2-NZ 3.12Å |
| 841 | L | 85.1 | Confident | 90.6 | Very high | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.131 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31.5 | 179.2 | -76.8 | 177.6 | 0 | 0 | 0 | 113.4 | I812 Y814 E838 P839 | I812-L841 HydrophobicContact CB-CD1 4.28Å; I812-L841 HydrophobicContact CD1-CD1 4.16Å; Y814-L841 WeakPolarHBondContact CD2-O 3.31Å; Y814-L841 WeakPolarHBondContact CE2-O 3.14Å; Y814-L841 HydrophobicContact CG-CD2 4.28Å; E838-L841 HydrophobicContact CB-CD1 3.63Å; E838-L841 HydrophobicContact CB-CD2 4.29Å; E838-L841 HydrophobicContact CB-CG 3.79Å; E838-L841 HydrophobicContact CG-CD1 4.2Å; E838-L841 VanDerWaalsContact N-CD1 3.3Å; E838-L841 VanDerWaalsContact O-CG 3.3Å; E838-L841 WeakPolarHBondContact O-CG 3.47Å; P839-L841 PolarHBondContact O-N 3.25Å; P839-L841 VanDerWaalsContact O-N 3.1Å |
| 842 | F | 88.3 | Confident | 90.7 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 9.1 | -179.4 | -55.3 | -70 | 0 | 0 | 0 | 113.5 | I812 V837 E840 E844 L845 M848 L851 F866 L869 | I812-F842 HydrophobicContact CD1-CE1 4.37Å; I812-F842 HydrophobicContact CD1-CE2 3.81Å; I812-F842 HydrophobicContact CD1-CZ 3.43Å; I812-F842 VanDerWaalsContact CD1-CZ 3.43Å; I812-F842 HydrophobicContact CG1-CZ 4.09Å; I812-F842 HydrophobicContact CG2-CE1 3.61Å; I812-F842 HydrophobicContact CG2-CZ 3.8Å; V837-F842 HydrophobicContact CG1-CD2 4.32Å; V837-F842 HydrophobicContact CG1-CE2 3.74Å; E840-F842 PolarHBondContact O-N 3.15Å; E840-F842 VanDerWaalsContact O-N 3.15Å; F842-E844 PolarHBondContact O-N 3.45Å; F842-L845 HydrophobicContact CB-CD1 4.41Å; F842-L845 HydrophobicContact CD1-CD1 3.76Å; F842-L845 PolarHBondContact O-N 2.79Å; F842-M848 HydrophobicContact CB-CE 4.36Å; F842-M848 HydrophobicContact CD1-CE 4.13Å; F842-M848 HydrophobicContact CG-CE 4.25Å; F842-L851 HydrophobicContact CD2-CD2 4.3Å; F842-L851 HydrophobicContact CE1-CD1 4.42Å; F842-L851 HydrophobicContact CE1-CD2 4.47Å; F842-L851 HydrophobicContact CE2-CD2 3.8Å; F842-L851 HydrophobicContact CZ-CD1 4.24Å; F842-L851 HydrophobicContact CZ-CD2 3.88Å; F842-F866 HydrophobicContact CD2-CD1 4.48Å; F842-L869 HydrophobicContact CB-CD1 3.64Å; F842-L869 HydrophobicContact CB-CD2 3.73Å; F842-L869 HydrophobicContact CB-CG 3.73Å; F842-L869 HydrophobicContact CD2-CD1 4.13Å; F842-L869 HydrophobicContact CG-CD1 4.08Å; F842-L869 WeakPolarHBondContact O-CD2 3.24Å |
| 843 | S | 85.7 | Confident | 90.8 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 16% | 0.161 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -31.2 | -169.4 | 54.9 | 0 | 0 | 0 | 0 | 115.2 | E840 K867 | E840-S843 WeakPolarHBondContact O-CB 3.45Å; E840-S843 PolarHBondContact O-N 3.38Å; E840-S843 PolarHBondContact O-OG 3.26Å; S843-K867 WeakPolarHBondContact CA-O 3.48Å; S843-K867 PolarHBondContact N-O 3.05Å |
| 844 | E | 86.7 | Confident | 90.9 | Very high | 74 Ų | 74 | 41.6 Ų | 41.6 | 35% | 0.346 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -8.9 | -179.7 | -62.1 | -56.4 | 151.2 | 0 | 0 | 114.5 | M821 F842 R846 | M821-E844 HydrophobicContact CB-CB 4.27Å; M821-E844 HydrophobicContact CE-CB 3.69Å; M821-E844 HydrophobicContact CE-CG 4.07Å; M821-E844 HydrophobicContact CG-CB 3.74Å; M821-E844 HydrophobicContact SD-CB 3.46Å; M821-E844 WeakPolarHBondContact SD-CB 3.19Å; M821-E844 HydrophobicContact SD-CG 4.09Å; F842-E844 PolarHBondContact O-N 3.45Å; E844-R846 PolarHBondContact O-N 2.88Å; E844-R846 IonicContact OE1-NH2 2.75Å; E844-R846 IonicContact OE2-CZ 2.85Å; E844-R846 IonicContact OE2-NE 3.94Å; E844-R846 PolarHBondContact OE2-NE 2.99Å; E844-R846 IonicContact OE2-NH2 3.11Å; E844-R846 PolarHBondContact OE2-NH2 2.77Å |
| 845 | L | 90.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | trans | -81.4 | 58.2 | 178.1 | -70.2 | 160.3 | 0 | 0 | 0 | 111.5 | L817 M821 L824 F842 N847 M848 L869 | L817-L845 HydrophobicContact CD1-CD1 4.47Å; M821-L845 HydrophobicContact CG-CD2 4.47Å; L824-L845 HydrophobicContact CB-CD2 4.08Å; L824-L845 HydrophobicContact CD2-CD2 4.19Å; F842-L845 HydrophobicContact CB-CD1 4.41Å; F842-L845 HydrophobicContact CD1-CD1 3.76Å; F842-L845 PolarHBondContact O-N 2.79Å; L845-N847 PolarHBondContact O-N 3.33Å; L845-M848 HydrophobicContact CB-CB 4.41Å; L845-M848 WeakPolarHBondContact O-CB 3.47Å; L845-M848 PolarHBondContact O-N 2.55Å; L845-M848 VanDerWaalsContact O-N 3.08Å; L845-L869 HydrophobicContact CB-CD2 4.15Å; L845-L869 WeakPolarHBondContact O-CD2 3.17Å | ||
| 846 | R | 87.4 | Confident | 91 | Very high | 148 Ų | 148 | 38.7 Ų | 38.7 | 56% | 0.558 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -15.3 | -168.5 | -60 | 178.4 | -167.1 | -175.6 | 4.6 | 114.5 | E844 K871 | E844-R846 PolarHBondContact O-N 2.88Å; E844-R846 IonicContact OE1-NH2 2.75Å; E844-R846 IonicContact OE2-CZ 2.85Å; E844-R846 IonicContact OE2-NE 3.94Å; E844-R846 PolarHBondContact OE2-NE 2.99Å; E844-R846 IonicContact OE2-NH2 3.11Å; E844-R846 PolarHBondContact OE2-NH2 2.77Å; R846-K871 WeakPolarHBondContact O-CD 3.4Å; R846-K871 WeakPolarHBondContact O-CG 3.42Å |
| 847 | N | 91.5 | Very high | 91.4 | Very high | 56 Ų | 56 | 43.9 Ų | 43.9 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -3.6 | 178.8 | -79.3 | -12 | 0 | 0 | 0 | 114 | K822 L824 L845 T849 K871 | K822-N847 PolarHBondContact O-ND2 3.45Å; L824-N847 CarbonylContact O-C 3.56Å; L845-N847 PolarHBondContact O-N 3.33Å; N847-T849 PolarHBondContact O-N 2.97Å; N847-K871 PolarHBondContact OD1-NZ 3.17Å |
| 848 | M | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -68.3 | 128.2 | -177.1 | -164.6 | 162 | 66.6 | 0 | 0 | 111.5 | L824 L827 F842 L845 L851 L869 K871 L872 | L824-M848 VanDerWaalsContact O-CA 3.31Å; L824-M848 WeakPolarHBondContact O-CA 3.43Å; L824-M848 PolarHBondContact O-N 3.3Å; L824-M848 VanDerWaalsContact O-N 3.13Å; L827-M848 HydrophobicContact CB-SD 3.99Å; L827-M848 HydrophobicContact CD2-SD 4.24Å; F842-M848 HydrophobicContact CB-CE 4.36Å; F842-M848 HydrophobicContact CD1-CE 4.13Å; F842-M848 HydrophobicContact CG-CE 4.25Å; L845-M848 HydrophobicContact CB-CB 4.41Å; L845-M848 WeakPolarHBondContact O-CB 3.47Å; L845-M848 PolarHBondContact O-N 2.55Å; L845-M848 VanDerWaalsContact O-N 3.08Å; M848-L851 HydrophobicContact CE-CB 4.03Å; M848-L851 HydrophobicContact CE-CD1 4.13Å; M848-L851 HydrophobicContact CE-CD2 3.8Å; M848-L851 HydrophobicContact CE-CG 4.21Å; M848-L851 HydrophobicContact SD-CB 4.27Å; M848-L851 HydrophobicContact SD-CD1 4.11Å; M848-L869 HydrophobicContact CB-CD2 4.13Å; M848-L869 HydrophobicContact CE-CD1 3.28Å; M848-L869 HydrophobicContact CE-CD2 3.54Å; M848-L869 HydrophobicContact CE-CG 4.02Å; M848-K871 CarbonylContact O-C 3.23Å; M848-L872 HydrophobicContact CG-CD1 4.41Å; M848-L872 WeakPolarHBondContact O-CA 3.49Å; M848-L872 PolarHBondContact O-N 2.61Å; M848-L872 VanDerWaalsContact O-N 3.16Å | ||
| 849 | T | 95.8 | Very high | 91.9 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | trans | -114.4 | -28 | -178.8 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | S825 N847 K871 R873 L874 | S825-T849 WeakPolarHBondContact O-CA 3.23Å; S825-T849 PolarHBondContact O-N 2.78Å; S825-T849 PolarHBondContact O-OG1 2.77Å; S825-T849 PolarHBondContact OG-OG1 2.8Å; N847-T849 PolarHBondContact O-N 2.97Å; T849-K871 WeakPolarHBondContact CA-O 3.35Å; T849-K871 HydrophobicContact CG2-CB 4.49Å; T849-R873 WeakPolarHBondContact O-CA 3.21Å; T849-R873 PolarHBondContact O-N 2.94Å; T849-L874 PolarHBondContact O-N 2.76Å | ||
| 850 | Q | 98.1 | Very high | 92 | Very high | 69 Ų | 69 | 44 Ų | 44 | 32% | 0.322 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 132 | 177 | -54.6 | -165.1 | 9.7 | 0 | 0 | 110.2 | S825 W826 L827 L874 | S825-Q850 PolarHBondContact O-N 3.21Å; W826-Q850 VanDerWaalsContact CD1-CB 3.45Å; W826-Q850 HydrophobicContact CG-CB 4.21Å; L827-Q850 PolarHBondContact N-O 3.24Å; Q850-L874 WeakPolarHBondContact CA-O 3.22Å; Q850-L874 HydrophobicContact CB-CB 4.27Å; Q850-L874 HydrophobicContact CG-CB 3.94Å |
| 851 | L | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 116.6 | 177.3 | 178 | 61.5 | 0 | 0 | 0 | 109.3 | L827 F842 M848 L853 F866 L869 L872 L874 L875 D876 | L827-L851 HydrophobicContact CB-CD1 4.24Å; L827-L851 HydrophobicContact CD2-CD1 4Å; L827-L851 HydrophobicContact CG-CD1 4.16Å; L827-L851 WeakPolarHBondContact O-CA 3.11Å; F842-L851 HydrophobicContact CD2-CD2 4.3Å; F842-L851 HydrophobicContact CE1-CD1 4.42Å; F842-L851 HydrophobicContact CE1-CD2 4.47Å; F842-L851 HydrophobicContact CE2-CD2 3.8Å; F842-L851 HydrophobicContact CZ-CD1 4.24Å; F842-L851 HydrophobicContact CZ-CD2 3.88Å; M848-L851 HydrophobicContact CE-CB 4.03Å; M848-L851 HydrophobicContact CE-CD1 4.13Å; M848-L851 HydrophobicContact CE-CD2 3.8Å; M848-L851 HydrophobicContact CE-CG 4.21Å; M848-L851 HydrophobicContact SD-CB 4.27Å; M848-L851 HydrophobicContact SD-CD1 4.11Å; L851-L853 HydrophobicContact CD1-CD1 4.38Å; L851-L853 HydrophobicContact CD1-CG 4.22Å; L851-L853 HydrophobicContact CD2-CD1 3.78Å; L851-L853 HydrophobicContact CD2-CG 4.46Å; L851-L853 HydrophobicContact CG-CD1 3.98Å; L851-L853 HydrophobicContact CG-CG 4.12Å; L851-F866 HydrophobicContact CD2-CD1 4.38Å; L851-F866 HydrophobicContact CD2-CE1 4.23Å; L851-L869 HydrophobicContact CD2-CD1 4.38Å; L851-L872 HydrophobicContact CB-CD1 3.74Å; L851-L874 PolarHBondContact N-O 2.99Å; L851-L875 HydrophobicContact CB-CD1 4.12Å; L851-L875 HydrophobicContact CD2-CD1 3.94Å; L851-L875 HydrophobicContact CG-CD1 4.08Å; L851-L875 WeakPolarHBondContact O-CA 3.08Å; L851-D876 PolarHBondContact O-N 2.62Å |
| 852 | L | 98.4 | Very high | 92.2 | Very high | 27 Ų | 27 | 40.5 Ų | 40.5 | 14% | 0.141 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 119.5 | 176.4 | -50.3 | 179.8 | 0 | 0 | 0 | 109.5 | W826 L827 D828 L829 S830 L874 D876 | W826-L852 HydrophobicContact CH2-CD1 4.49Å; W826-L852 HydrophobicContact CZ2-CD1 3.74Å; L827-L852 PolarHBondContact O-N 2.87Å; D828-L852 HydrophobicContact CB-CB 4.18Å; D828-L852 HydrophobicContact CB-CD1 4.05Å; D828-L852 HydrophobicContact CB-CG 4.43Å; L829-L852 CarbonylContact C-O 3.54Å; L829-L852 WeakPolarHBondContact CA-O 3.31Å; L829-L852 PolarHBondContact N-O 3.5Å; S830-L852 PolarHBondContact N-O 2.92Å; L852-L874 HydrophobicContact CD2-CD2 3.31Å; L852-D876 HydrophobicContact CD2-CB 3.64Å |
| 853 | L | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -128.6 | 10.3 | -179.3 | -77.9 | 167.4 | 0 | 0 | 0 | 111.7 | I812 L829 I834 V837 L851 N856 I858 D876 L877 N880 | I812-L853 HydrophobicContact CD1-CD2 4.46Å; I812-L853 HydrophobicContact CG1-CD2 4.42Å; L829-L853 HydrophobicContact CB-CD2 3.85Å; L829-L853 HydrophobicContact CD1-CD2 3.95Å; I834-L853 HydrophobicContact CD1-CD2 4.1Å; V837-L853 HydrophobicContact CG2-CD1 4.27Å; L851-L853 HydrophobicContact CD1-CD1 4.38Å; L851-L853 HydrophobicContact CD1-CG 4.22Å; L851-L853 HydrophobicContact CD2-CD1 3.78Å; L851-L853 HydrophobicContact CD2-CG 4.46Å; L851-L853 HydrophobicContact CG-CD1 3.98Å; L851-L853 HydrophobicContact CG-CG 4.12Å; L853-N856 PolarHBondContact O-ND2 2.88Å; L853-I858 HydrophobicContact CB-CD1 4.22Å; L853-I858 HydrophobicContact CD1-CD1 4.5Å; L853-I858 HydrophobicContact CD2-CD1 4.43Å; L853-D876 CarbonylContact C-O 3.59Å; L853-D876 WeakPolarHBondContact CA-O 3.2Å; L853-D876 WeakPolarHBondContact CB-O 3.21Å; L853-D876 PolarHBondContact N-O 3.08Å; L853-L877 HydrophobicContact CB-CD2 3.88Å; L853-L877 HydrophobicContact CD1-CD2 3.99Å; L853-N880 PolarHBondContact O-ND2 2.9Å | ||
| 854 | N | 97.7 | Very high | 92 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 10% | 0.102 | 22% | 0.217 | C | C | . | . | trans | -61.6 | 152.8 | -177.3 | 59.1 | -71.5 | 0 | 0 | 0 | 113.2 | S830 F831 N856 D876 S878 | S830-N854 CarbonylContact C-O 3.55Å; S830-N854 WeakPolarHBondContact CA-O 2.91Å; S830-N854 WeakPolarHBondContact CB-O 3.24Å; S830-N854 WeakPolarHBondContact CB-OD1 3.37Å; F831-N854 PolarHBondContact N-O 2.63Å; N854-N856 VanDerWaalsContact C-N 3.35Å; N854-N856 PolarHBondContact O-N 2.93Å; N854-N856 PolarHBondContact O-ND2 2.91Å; N854-D876 HydrophobicContact CB-CB 4.4Å; N854-D876 WeakPolarHBondContact CB-OD1 3.25Å; N854-D876 PolarHBondContact N-O 3.15Å; N854-S878 CarbonylContact C-O 3.4Å; N854-S878 WeakPolarHBondContact CA-O 3.23Å; N854-S878 VanDerWaalsContact CB-O 3.25Å; N854-S878 WeakPolarHBondContact CB-O 3.21Å; N854-S878 WeakPolarHBondContact CB-OG 3.5Å | ||
| 855 | S | 96.8 | Very high | 92 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 30% | 0.301 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 56.5 | 45.7 | 178.1 | -52.3 | 0 | 0 | 0 | 0 | 113 | F831 S878 | F831-S855 WeakPolarHBondContact CA-O 3.49Å; F831-S855 VanDerWaalsContact CD1-CB 3.48Å; F831-S855 VanDerWaalsContact CE1-CB 3.49Å; F831-S855 WeakPolarHBondContact CE1-OG 3.2Å; F831-S855 PolarHBondContact N-O 2.87Å; S855-S878 PolarHBondContact N-O 2.86Å |
| 856 | N | 93.8 | Very high | 92 | Very high | 11 Ų | 11 | 41.1 Ų | 41.1 | 6% | 0.059 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -107.6 | -158 | 170.1 | -86.9 | -79 | 0 | 0 | 0 | 109.7 | L829 N832 S833 I834 L853 N854 I858 N880 | L829-N856 PolarHBondContact O-ND2 3.34Å; N832-N856 VanDerWaalsContact CA-OD1 3.24Å; N832-N856 WeakPolarHBondContact CA-OD1 3.06Å; N832-N856 WeakPolarHBondContact CB-OD1 3.48Å; N832-N856 PolarHBondContact N-OD1 3.46Å; N832-N856 PolarHBondContact O-OD1 3.26Å; S833-N856 PolarHBondContact N-OD1 3.23Å; I834-N856 HydrophobicContact CB-CB 4.19Å; I834-N856 WeakPolarHBondContact CB-OD1 3.23Å; I834-N856 WeakPolarHBondContact CG1-OD1 3.48Å; I834-N856 PolarHBondContact N-OD1 2.68Å; L853-N856 PolarHBondContact O-ND2 2.88Å; N854-N856 VanDerWaalsContact C-N 3.35Å; N854-N856 PolarHBondContact O-N 2.93Å; N854-N856 PolarHBondContact O-ND2 2.91Å; N856-I858 HydrophobicContact CB-CD1 4.28Å; N856-I858 HydrophobicContact CB-CG1 4.17Å; N856-N880 WeakPolarHBondContact CA-OD1 3.41Å; N856-N880 WeakPolarHBondContact CB-OD1 3.46Å; N856-N880 PolarHBondContact N-OD1 3.06Å; N856-N880 PolarHBondContact O-OD1 3.42Å |
| 857 | R | 94.3 | Very high | 92.1 | Very high | 145 Ų | 145 | 37.7 Ų | 37.7 | 55% | 0.547 | 19% | 0.19 | S | C | . | . | trans | -120.7 | 27.5 | 179.4 | -59.6 | -175.6 | -178.5 | -152.4 | -1.4 | 111.7 | I834 E835 K859 N880 | I834-R857 CarbonylContact O-C 3.52Å; I834-R857 VanDerWaalsContact O-CA 3.29Å; I834-R857 WeakPolarHBondContact O-CA 3.5Å; I834-R857 PolarHBondContact O-N 2.71Å; E835-R857 WeakPolarHBondContact CA-O 3.43Å; E835-R857 HydrophobicContact CG-CB 4.35Å; R857-K859 PolarHBondContact O-N 2.77Å; R857-N880 PolarHBondContact N-OD1 3.24Å | ||
| 858 | I | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -67.2 | 120.4 | -174.7 | -59.4 | 165.4 | 0 | 0 | 0 | 108.6 | I834 E835 V837 L853 N856 I861 L877 N880 P881 I882 | I834-I858 HydrophobicContact CG2-CD1 4.46Å; I834-I858 HydrophobicContact CG2-CG1 4.14Å; I834-I858 WeakPolarHBondContact O-CG1 3.43Å; I834-I858 PolarHBondContact O-N 3.45Å; I834-I858 VanDerWaalsContact O-N 3.12Å; E835-I858 WeakPolarHBondContact O-CA 3.4Å; V837-I858 HydrophobicContact CG2-CD1 3.84Å; V837-I858 HydrophobicContact CG2-CG1 4.42Å; V837-I858 HydrophobicContact CG2-CG2 4.28Å; L853-I858 HydrophobicContact CB-CD1 4.22Å; L853-I858 HydrophobicContact CD1-CD1 4.5Å; L853-I858 HydrophobicContact CD2-CD1 4.43Å; N856-I858 HydrophobicContact CB-CD1 4.28Å; N856-I858 HydrophobicContact CB-CG1 4.17Å; I858-I861 HydrophobicContact CG2-CD1 3.67Å; I858-L877 HydrophobicContact CD1-CD2 4.23Å; I858-N880 HydrophobicContact CB-CB 4.11Å; I858-N880 WeakPolarHBondContact CB-OD1 3.24Å; I858-N880 WeakPolarHBondContact CG1-OD1 3.3Å; I858-N880 PolarHBondContact N-OD1 3.04Å; I858-P881 CarbonylContact O-C 3.27Å; I858-P881 WeakPolarHBondContact O-CD 3.48Å; I858-I882 WeakPolarHBondContact O-CG1 3.25Å; I858-I882 PolarHBondContact O-N 2.82Å | ||
| 859 | K | 88.2 | Confident | 91.7 | Very high | 116 Ų | 116 | 35.7 Ų | 35.7 | 50% | 0.504 | 18% | 0.183 | S | C | . | . | trans | -97.3 | -35.4 | -179.4 | -63.2 | -177.9 | -176.6 | 174.8 | 0 | 113.2 | E835 R857 I882 D883 E884 | E835-K859 PolarHBondContact O-N 2.81Å; R857-K859 PolarHBondContact O-N 2.77Å; K859-I882 CarbonylContact O-C 3.44Å; K859-I882 WeakPolarHBondContact O-CA 3.38Å; K859-I882 VanDerWaalsContact O-CG2 3.27Å; K859-I882 WeakPolarHBondContact O-CG2 3.07Å; K859-D883 PolarHBondContact O-N 2.64Å; K859-E884 PolarHBondContact O-N 2.99Å | ||
| 860 | S | 85.8 | Confident | 91.4 | Very high | 46 Ų | 46 | 43 Ų | 43 | 32% | 0.322 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 148.2 | -178.3 | 65.3 | 0 | 0 | 0 | 0 | 113.3 | E884 | S860-E884 VanDerWaalsContact CA-O 3.22Å; S860-E884 WeakPolarHBondContact CA-O 3.44Å |
| 861 | I | 87.2 | Confident | 91.1 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 114.4 | 175 | -57.6 | -66 | 0 | 0 | 0 | 108.7 | V837 I858 A865 F866 L877 I882 E884 W885 N886 A889 | V837-I861 HydrophobicContact CB-CD1 4.39Å; V837-I861 HydrophobicContact CG2-CD1 4.09Å; I858-I861 HydrophobicContact CG2-CD1 3.67Å; I861-A865 HydrophobicContact CG2-CB 3.83Å; I861-F866 HydrophobicContact CD1-CZ 4.45Å; I861-F866 HydrophobicContact CG2-CE2 3.92Å; I861-F866 HydrophobicContact CG2-CZ 4.49Å; I861-L877 HydrophobicContact CD1-CD2 4.41Å; I861-I882 HydrophobicContact CD1-CD1 4.46Å; I861-I882 HydrophobicContact CG1-CD1 4.07Å; I861-I882 HydrophobicContact CG1-CG2 4.06Å; I861-E884 PolarHBondContact N-O 3.38Å; I861-E884 VanDerWaalsContact N-O 3.08Å; I861-W885 HydrophobicContact CB-CD2 4.32Å; I861-W885 HydrophobicContact CB-CH2 4.31Å; I861-W885 HydrophobicContact CB-CZ2 4.09Å; I861-W885 HydrophobicContact CG1-CH2 4.44Å; I861-W885 HydrophobicContact CG1-CZ2 3.82Å; I861-W885 HydrophobicContact CG2-CH2 3.9Å; I861-W885 HydrophobicContact CG2-CZ2 4.14Å; I861-W885 HydrophobicContact CG2-CZ3 4.28Å; I861-N886 WeakPolarHBondContact O-CB 3.21Å; I861-N886 PolarHBondContact O-N 3.42Å; I861-A889 HydrophobicContact CG2-CB 3.59Å |
| 862 | S | 85.3 | Confident | 90.9 | Very high | 33 Ų | 33 | 43.4 Ų | 43.4 | 23% | 0.231 | 21% | 0.207 | C | C | . | . | trans | -79.6 | 163.9 | -179.9 | 68.8 | 0 | 0 | 0 | 0 | 113.1 | P839 A864 A865 A889 | P839-S862 WeakPolarHBondContact CG-OG 3.47Å; S862-A864 PolarHBondContact O-N 2.93Å; S862-A864 VanDerWaalsContact O-N 3.17Å; S862-A865 WeakPolarHBondContact O-CB 3.42Å; S862-A865 PolarHBondContact O-N 2.99Å; S862-A865 PolarHBondContact OG-N 2.75Å; S862-A889 VanDerWaalsContact O-CB 3.29Å; S862-A889 WeakPolarHBondContact O-CB 3.33Å | ||
| 863 | E | 82 | Confident | 90.7 | Very high | 89 Ų | 89 | 46.8 Ų | 46.8 | 42% | 0.416 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -35.8 | 179.6 | 179.1 | 172.6 | -177 | 0 | 0 | 113.6 | N886 A889 R891 | E863-N886 HydrophobicContact CB-CB 4.45Å; E863-A889 WeakPolarHBondContact O-CA 3.16Å; E863-R891 IonicContact OE1-CZ 3.93Å; E863-R891 IonicContact OE1-NH1 2.73Å; E863-R891 PolarHBondContact OE1-NH1 3.41Å; E863-R891 IonicContact OE1-NH2 3.75Å; E863-R891 PolarHBondContact OE1-NH2 3.31Å |
| 864 | A | 87 | Confident | 90.6 | Very high | 21 Ų | 21 | 49 Ų | 49 | 17% | 0.174 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 17.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P839 E840 S862 F866 K867 | P839-A864 HydrophobicContact CB-CB 4.13Å; E840-A864 HydrophobicContact CG-CB 3.92Å; E840-A864 PolarHBondContact N-O 2.99Å; S862-A864 PolarHBondContact O-N 2.93Å; S862-A864 VanDerWaalsContact O-N 3.17Å; A864-F866 VanDerWaalsContact C-N 3.28Å; A864-F866 PolarHBondContact O-N 2.78Å; A864-K867 HydrophobicContact CB-CB 4.02Å; A864-K867 HydrophobicContact CB-CD 4.21Å; A864-K867 VanDerWaalsContact O-CB 3.29Å; A864-K867 WeakPolarHBondContact O-CB 3.22Å; A864-K867 PolarHBondContact O-N 3.02Å; A864-K867 VanDerWaalsContact O-N 3.16Å |
| 865 | A | 87.4 | Confident | 90.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -40.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | V837 I861 S862 | V837-A865 HydrophobicContact CB-CB 4.27Å; V837-A865 HydrophobicContact CG1-CB 3.86Å; I861-A865 HydrophobicContact CG2-CB 3.83Å; S862-A865 WeakPolarHBondContact O-CB 3.42Å; S862-A865 PolarHBondContact O-N 2.99Å; S862-A865 PolarHBondContact OG-N 2.75Å |
| 866 | F | 90.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 20.4 | 179.3 | -50.7 | -64 | 0 | 0 | 0 | 113.1 | F842 L851 I861 A864 G868 L869 L875 L877 F890 V893 | F842-F866 HydrophobicContact CD2-CD1 4.48Å; L851-F866 HydrophobicContact CD2-CD1 4.38Å; L851-F866 HydrophobicContact CD2-CE1 4.23Å; I861-F866 HydrophobicContact CD1-CZ 4.45Å; I861-F866 HydrophobicContact CG2-CE2 3.92Å; I861-F866 HydrophobicContact CG2-CZ 4.49Å; A864-F866 VanDerWaalsContact C-N 3.28Å; A864-F866 PolarHBondContact O-N 2.78Å; F866-G868 PolarHBondContact O-N 3.22Å; F866-L869 HydrophobicContact CB-CD1 4.28Å; F866-L869 HydrophobicContact CD1-CD1 4.27Å; F866-L869 WeakPolarHBondContact O-CB 3.45Å; F866-L869 PolarHBondContact O-N 2.94Å; F866-L875 HydrophobicContact CD2-CD2 4.35Å; F866-L875 HydrophobicContact CE1-CD1 3.98Å; F866-L875 HydrophobicContact CE1-CD2 4.12Å; F866-L875 HydrophobicContact CE2-CD2 3.92Å; F866-L875 HydrophobicContact CZ-CD1 4.27Å; F866-L875 HydrophobicContact CZ-CD2 3.81Å; F866-L877 HydrophobicContact CE2-CD1 4.34Å; F866-L877 HydrophobicContact CZ-CD1 3.93Å; F866-L877 HydrophobicContact CZ-CD2 4.39Å; F866-F890 HydrophobicContact CD2-CD1 4.27Å; F866-F890 HydrophobicContact CD2-CE1 4.33Å; F866-F890 HydrophobicContact CE2-CD1 4.49Å; F866-F890 HydrophobicContact CE2-CE1 4.12Å; F866-V893 HydrophobicContact CB-CG1 3.93Å |
| 867 | K | 89.6 | Confident | 90.7 | Very high | 77 Ų | 77 | 46.8 Ų | 46.8 | 34% | 0.335 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 139 | 178.3 | -173.4 | -175.7 | -178.6 | -179.8 | 0 | 109.9 | E840 S843 A864 L869 D892 | E840-K867 HydrophobicContact CB-CD 4.31Å; E840-K867 VanDerWaalsContact CD-CD 3.45Å; E840-K867 HydrophobicContact CG-CB 4.49Å; E840-K867 HydrophobicContact CG-CD 3.6Å; E840-K867 WeakPolarHBondContact OE1-CD 3.09Å; E840-K867 IonicContact OE1-NZ 3.91Å; E840-K867 PolarHBondContact OE1-NZ 3.35Å; E840-K867 IonicContact OE2-NZ 2.77Å; E840-K867 PolarHBondContact OE2-NZ 3.3Å; E840-K867 VanDerWaalsContact OE2-NZ 3.12Å; S843-K867 WeakPolarHBondContact CA-O 3.48Å; S843-K867 PolarHBondContact N-O 3.05Å; A864-K867 HydrophobicContact CB-CB 4.02Å; A864-K867 HydrophobicContact CB-CD 4.21Å; A864-K867 VanDerWaalsContact O-CB 3.29Å; A864-K867 WeakPolarHBondContact O-CB 3.22Å; A864-K867 PolarHBondContact O-N 3.02Å; A864-K867 VanDerWaalsContact O-N 3.16Å; K867-L869 VanDerWaalsContact C-N 3.27Å; K867-L869 PolarHBondContact O-N 2.95Å; K867-D892 WeakPolarHBondContact CA-OD2 3.46Å; K867-D892 VanDerWaalsContact CG-OD2 3.24Å; K867-D892 WeakPolarHBondContact CG-OD2 3.17Å |
| 868 | G | 86.3 | Confident | 90.8 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -13.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | F866 R870 D892 | F866-G868 PolarHBondContact O-N 3.22Å; G868-R870 PolarHBondContact O-N 3.39Å; G868-D892 PolarHBondContact N-OD2 3.34Å |
| 869 | L | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -78.3 | 48.4 | -179.4 | -64.1 | -173.2 | 0 | 0 | 0 | 114.3 | F842 L845 M848 L851 F866 K867 K871 L872 V893 | F842-L869 HydrophobicContact CB-CD1 3.64Å; F842-L869 HydrophobicContact CB-CD2 3.73Å; F842-L869 HydrophobicContact CB-CG 3.73Å; F842-L869 HydrophobicContact CD2-CD1 4.13Å; F842-L869 HydrophobicContact CG-CD1 4.08Å; F842-L869 WeakPolarHBondContact O-CD2 3.24Å; L845-L869 HydrophobicContact CB-CD2 4.15Å; L845-L869 WeakPolarHBondContact O-CD2 3.17Å; M848-L869 HydrophobicContact CB-CD2 4.13Å; M848-L869 HydrophobicContact CE-CD1 3.28Å; M848-L869 HydrophobicContact CE-CD2 3.54Å; M848-L869 HydrophobicContact CE-CG 4.02Å; L851-L869 HydrophobicContact CD2-CD1 4.38Å; F866-L869 HydrophobicContact CB-CD1 4.28Å; F866-L869 HydrophobicContact CD1-CD1 4.27Å; F866-L869 WeakPolarHBondContact O-CB 3.45Å; F866-L869 PolarHBondContact O-N 2.94Å; K867-L869 VanDerWaalsContact C-N 3.27Å; K867-L869 PolarHBondContact O-N 2.95Å; L869-K871 PolarHBondContact O-N 3.31Å; L869-L872 HydrophobicContact CB-CB 3.99Å; L869-L872 HydrophobicContact CB-CD2 4.43Å; L869-L872 HydrophobicContact CD1-CD2 4.07Å; L869-L872 VanDerWaalsContact O-CB 3.23Å; L869-L872 WeakPolarHBondContact O-CB 3.41Å; L869-L872 PolarHBondContact O-N 3.39Å; L869-V893 HydrophobicContact CB-CG1 3.94Å; L869-V893 WeakPolarHBondContact O-CG1 3.4Å | ||
| 870 | R | 88.6 | Confident | 90.8 | Very high | 189 Ų | 189 | 36.4 Ų | 36.4 | 71% | 0.713 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -4.3 | -172.4 | -61.3 | -178.6 | -179.9 | 174.1 | 0.3 | 115.2 | G868 S896 | G868-R870 PolarHBondContact O-N 3.39Å; R870-S896 WeakPolarHBondContact O-CB 3.32Å |
| 871 | K | 92 | Very high | 90.9 | Very high | 77 Ų | 77 | 37.8 Ų | 37.8 | 34% | 0.335 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 1.2 | 174.4 | -64.3 | -169 | -171.6 | 173.8 | 0 | 112.9 | A58 R846 N847 M848 T849 L869 R873 | A58-K871 HydrophobicContact CB-CD 3.84Å; A58-K871 HydrophobicContact CB-CG 4.05Å; R846-K871 WeakPolarHBondContact O-CD 3.4Å; R846-K871 WeakPolarHBondContact O-CG 3.42Å; N847-K871 PolarHBondContact OD1-NZ 3.17Å; M848-K871 CarbonylContact O-C 3.23Å; T849-K871 WeakPolarHBondContact CA-O 3.35Å; T849-K871 HydrophobicContact CG2-CB 4.49Å; L869-K871 PolarHBondContact O-N 3.31Å; K871-R873 WeakPolarHBondContact O-CG 3.17Å; K871-R873 PolarHBondContact O-N 2.85Å |
| 872 | L | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -67.6 | 120.1 | -177.7 | -172 | 71.1 | 0 | 0 | 0 | 109.8 | M848 L851 L869 L874 L875 V893 S896 L897 | M848-L872 HydrophobicContact CG-CD1 4.41Å; M848-L872 WeakPolarHBondContact O-CA 3.49Å; M848-L872 PolarHBondContact O-N 2.61Å; M848-L872 VanDerWaalsContact O-N 3.16Å; L851-L872 HydrophobicContact CB-CD1 3.74Å; L869-L872 HydrophobicContact CB-CB 3.99Å; L869-L872 HydrophobicContact CB-CD2 4.43Å; L869-L872 HydrophobicContact CD1-CD2 4.07Å; L869-L872 VanDerWaalsContact O-CB 3.23Å; L869-L872 WeakPolarHBondContact O-CB 3.41Å; L869-L872 PolarHBondContact O-N 3.39Å; L872-L874 WeakPolarHBondContact CD1-O 3.31Å; L872-L875 HydrophobicContact CD2-CB 4.16Å; L872-L875 HydrophobicContact CD2-CD1 4.41Å; L872-L875 HydrophobicContact CD2-CD2 4.5Å; L872-V893 HydrophobicContact CB-CG1 4.3Å; L872-V893 HydrophobicContact CD2-CG1 4.22Å; L872-S896 CarbonylContact O-C 3.55Å; L872-S896 VanDerWaalsContact O-CB 3.26Å; L872-S896 WeakPolarHBondContact O-CB 3.46Å; L872-S896 VanDerWaalsContact O-O 3.05Å; L872-S896 PolarHBondContact O-OG 2.87Å; L872-L897 HydrophobicContact CD2-CD1 4.08Å; L872-L897 HydrophobicContact CG-CD1 4.04Å; L872-L897 VanDerWaalsContact O-CA 3.3Å; L872-L897 WeakPolarHBondContact O-CA 3.29Å; L872-L897 PolarHBondContact O-N 2.79Å | ||
| 873 | R | 93.3 | Very high | 90.3 | Very high | 98 Ų | 98 | 42.6 Ų | 42.6 | 37% | 0.37 | 21% | 0.214 | S | C | . | . | trans | -106.2 | -41.7 | -178.8 | -58 | -179.6 | 73.6 | -162.9 | -7.9 | 111.2 | T849 K871 E898 S899 | T849-R873 WeakPolarHBondContact O-CA 3.21Å; T849-R873 PolarHBondContact O-N 2.94Å; K871-R873 WeakPolarHBondContact O-CG 3.17Å; K871-R873 PolarHBondContact O-N 2.85Å; R873-E898 HydrophobicContact CB-CB 4.48Å; R873-E898 IonicContact CZ-OE1 2.82Å; R873-E898 IonicContact CZ-OE2 3.52Å; R873-E898 IonicContact NE-OE1 3.93Å; R873-E898 PolarHBondContact NE-OE1 3.27Å; R873-E898 IonicContact NE-OE2 2.69Å; R873-E898 IonicContact NH2-OE1 2.83Å; R873-E898 PolarHBondContact NH2-OE1 2.73Å; R873-E898 IonicContact NH2-OE2 3.81Å; R873-E898 PolarHBondContact NH2-OE2 3.2Å; R873-E898 CarbonylContact O-C 3.59Å; R873-E898 WeakPolarHBondContact O-CA 3.45Å; R873-E898 PolarHBondContact O-N 3.38Å; R873-S899 PolarHBondContact O-N 3.44Å | ||
| 874 | L | 97.1 | Very high | 90.1 | Very high | 46 Ų | 46 | 44.9 Ų | 44.9 | 24% | 0.241 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.4 | 179.3 | -171.2 | 156.4 | 0 | 0 | 0 | 110.4 | T849 Q850 L851 L852 L872 S899 | T849-L874 PolarHBondContact O-N 2.76Å; Q850-L874 WeakPolarHBondContact CA-O 3.22Å; Q850-L874 HydrophobicContact CB-CB 4.27Å; Q850-L874 HydrophobicContact CG-CB 3.94Å; L851-L874 PolarHBondContact N-O 2.99Å; L852-L874 HydrophobicContact CD2-CD2 3.31Å; L872-L874 WeakPolarHBondContact CD1-O 3.31Å; L874-S899 WeakPolarHBondContact CA-O 3.34Å |
| 875 | L | 96.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 121.5 | 171.9 | 177.3 | 64.5 | 0 | 0 | 0 | 110.1 | L851 F866 L872 L877 F890 L897 S899 V900 N901 | L851-L875 HydrophobicContact CB-CD1 4.12Å; L851-L875 HydrophobicContact CD2-CD1 3.94Å; L851-L875 HydrophobicContact CG-CD1 4.08Å; L851-L875 WeakPolarHBondContact O-CA 3.08Å; F866-L875 HydrophobicContact CD2-CD2 4.35Å; F866-L875 HydrophobicContact CE1-CD1 3.98Å; F866-L875 HydrophobicContact CE1-CD2 4.12Å; F866-L875 HydrophobicContact CE2-CD2 3.92Å; F866-L875 HydrophobicContact CZ-CD1 4.27Å; F866-L875 HydrophobicContact CZ-CD2 3.81Å; L872-L875 HydrophobicContact CD2-CB 4.16Å; L872-L875 HydrophobicContact CD2-CD1 4.41Å; L872-L875 HydrophobicContact CD2-CD2 4.5Å; L875-L877 HydrophobicContact CD1-CG 4.19Å; L875-L877 HydrophobicContact CD2-CD1 3.89Å; L875-L877 HydrophobicContact CD2-CG 4.35Å; L875-L877 HydrophobicContact CG-CD1 4.19Å; L875-L877 HydrophobicContact CG-CG 4.11Å; L875-F890 HydrophobicContact CD2-CE1 3.72Å; L875-L897 HydrophobicContact CB-CD1 3.83Å; L875-S899 PolarHBondContact N-O 2.77Å; L875-V900 WeakPolarHBondContact O-CA 3.18Å; L875-N901 PolarHBondContact O-N 2.98Å |
| 876 | D | 97.3 | Very high | 89.2 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118.1 | 171.9 | -160 | -25 | 0 | 0 | 0 | 110.6 | L851 L852 L853 N854 S878 N901 | L851-D876 PolarHBondContact O-N 2.62Å; L852-D876 HydrophobicContact CD2-CB 3.64Å; L853-D876 CarbonylContact C-O 3.59Å; L853-D876 WeakPolarHBondContact CA-O 3.2Å; L853-D876 WeakPolarHBondContact CB-O 3.21Å; L853-D876 PolarHBondContact N-O 3.08Å; N854-D876 HydrophobicContact CB-CB 4.4Å; N854-D876 WeakPolarHBondContact CB-OD1 3.25Å; N854-D876 PolarHBondContact N-O 3.15Å; D876-S878 VanDerWaalsContact OD1-CB 3.26Å; D876-S878 WeakPolarHBondContact OD1-CB 3.41Å; D876-S878 PolarHBondContact OD1-N 2.78Å; D876-S878 PolarHBondContact OD1-OG 3.06Å; D876-N901 HydrophobicContact CB-CB 4.27Å; D876-N901 WeakPolarHBondContact OD1-CB 3.27Å; D876-N901 PolarHBondContact OD1-ND2 3.49Å; D876-N901 PolarHBondContact OD2-ND2 2.98Å |
| 877 | L | 96.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -119.2 | 6.5 | 176.2 | -75.7 | 168.3 | 0 | 0 | 0 | 112 | L853 I858 I861 F866 L875 N880 I882 W885 N901 L902 T905 | L853-L877 HydrophobicContact CB-CD2 3.88Å; L853-L877 HydrophobicContact CD1-CD2 3.99Å; I858-L877 HydrophobicContact CD1-CD2 4.23Å; I861-L877 HydrophobicContact CD1-CD2 4.41Å; F866-L877 HydrophobicContact CE2-CD1 4.34Å; F866-L877 HydrophobicContact CZ-CD1 3.93Å; F866-L877 HydrophobicContact CZ-CD2 4.39Å; L875-L877 HydrophobicContact CD1-CG 4.19Å; L875-L877 HydrophobicContact CD2-CD1 3.89Å; L875-L877 HydrophobicContact CD2-CG 4.35Å; L875-L877 HydrophobicContact CG-CD1 4.19Å; L875-L877 HydrophobicContact CG-CG 4.11Å; L877-N880 WeakPolarHBondContact O-CB 3.06Å; L877-N880 PolarHBondContact O-ND2 3.38Å; L877-I882 HydrophobicContact CB-CD1 4.49Å; L877-W885 HydrophobicContact CD1-CZ2 4.15Å; L877-N901 PolarHBondContact N-O 2.8Å; L877-L902 HydrophobicContact CB-CD2 3.88Å; L877-L902 HydrophobicContact CD1-CD2 3.91Å; L877-T905 WeakPolarHBondContact O-CG2 3.31Å | ||
| 878 | S | 95.8 | Very high | 87.5 | Confident | 17 Ų | 17 | 50.7 Ų | 50.7 | 12% | 0.119 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 150.2 | -172.2 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | N854 S855 D876 N880 N901 A903 | N854-S878 CarbonylContact C-O 3.4Å; N854-S878 WeakPolarHBondContact CA-O 3.23Å; N854-S878 VanDerWaalsContact CB-O 3.25Å; N854-S878 WeakPolarHBondContact CB-O 3.21Å; N854-S878 WeakPolarHBondContact CB-OG 3.5Å; S855-S878 PolarHBondContact N-O 2.86Å; D876-S878 VanDerWaalsContact OD1-CB 3.26Å; D876-S878 WeakPolarHBondContact OD1-CB 3.41Å; D876-S878 PolarHBondContact OD1-N 2.78Å; D876-S878 PolarHBondContact OD1-OG 3.06Å; S878-N880 VanDerWaalsContact C-N 3.28Å; S878-N880 PolarHBondContact O-N 3.35Å; S878-N901 WeakPolarHBondContact CB-OD1 3.48Å; S878-N901 PolarHBondContact N-O 3.18Å; S878-N901 PolarHBondContact OG-ND2 3.14Å; S878-A903 CarbonylContact C-O 3.19Å; S878-A903 WeakPolarHBondContact CA-O 3.29Å; S878-A903 WeakPolarHBondContact CB-O 3.4Å |
| 879 | G | 94.6 | Very high | 87.3 | Confident | 26 Ų | 26 | 50.1 Ų | 50.1 | 27% | 0.268 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 26.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A903 D904 | G879-A903 PolarHBondContact N-O 3.06Å; G879-D904 WeakPolarHBondContact CA-O 3.25Å; G879-D904 PolarHBondContact N-O 2.98Å |
| 880 | N | 88.2 | Confident | 87 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | trans | -106.3 | 136.4 | 169.9 | -80.7 | -81.5 | 0 | 0 | 0 | 109.8 | L853 N856 R857 I858 L877 S878 I882 T905 | L853-N880 PolarHBondContact O-ND2 2.9Å; N856-N880 WeakPolarHBondContact CA-OD1 3.41Å; N856-N880 WeakPolarHBondContact CB-OD1 3.46Å; N856-N880 PolarHBondContact N-OD1 3.06Å; N856-N880 PolarHBondContact O-OD1 3.42Å; R857-N880 PolarHBondContact N-OD1 3.24Å; I858-N880 HydrophobicContact CB-CB 4.11Å; I858-N880 WeakPolarHBondContact CB-OD1 3.24Å; I858-N880 WeakPolarHBondContact CG1-OD1 3.3Å; I858-N880 PolarHBondContact N-OD1 3.04Å; L877-N880 WeakPolarHBondContact O-CB 3.06Å; L877-N880 PolarHBondContact O-ND2 3.38Å; S878-N880 VanDerWaalsContact C-N 3.28Å; S878-N880 PolarHBondContact O-N 3.35Å; N880-I882 HydrophobicContact CB-CD1 4.12Å; N880-I882 HydrophobicContact CB-CG1 3.75Å; N880-I882 PolarHBondContact O-N 3.38Å; N880-T905 VanDerWaalsContact O-CA 3.22Å; N880-T905 WeakPolarHBondContact O-CA 3.35Å | ||
| 881 | P | 87.9 | Confident | 86.7 | Confident | 75 Ų | 75 | 47.7 Ų | 47.7 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | trans | -78.9 | 62.4 | -177.2 | 35.3 | -37.8 | 0 | 0 | 0 | 112 | I858 D883 | I858-P881 CarbonylContact O-C 3.27Å; I858-P881 WeakPolarHBondContact O-CD 3.48Å; P881-D883 PolarHBondContact O-N 2.61Å; P881-D883 VanDerWaalsContact O-N 3.17Å | ||
| 882 | I | 86.1 | Confident | 86.4 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | trans | -78.4 | 102.4 | -172.2 | -47.6 | 172.6 | 0 | 0 | 0 | 110 | I858 K859 I861 L877 N880 W885 T905 | I858-I882 WeakPolarHBondContact O-CG1 3.25Å; I858-I882 PolarHBondContact O-N 2.82Å; K859-I882 CarbonylContact O-C 3.44Å; K859-I882 WeakPolarHBondContact O-CA 3.38Å; K859-I882 VanDerWaalsContact O-CG2 3.27Å; K859-I882 WeakPolarHBondContact O-CG2 3.07Å; I861-I882 HydrophobicContact CD1-CD1 4.46Å; I861-I882 HydrophobicContact CG1-CD1 4.07Å; I861-I882 HydrophobicContact CG1-CG2 4.06Å; L877-I882 HydrophobicContact CB-CD1 4.49Å; N880-I882 HydrophobicContact CB-CD1 4.12Å; N880-I882 HydrophobicContact CB-CG1 3.75Å; N880-I882 PolarHBondContact O-N 3.38Å; I882-W885 HydrophobicContact CG2-CG 4.38Å; I882-T905 CarbonylContact C-O 3.08Å; I882-T905 HydrophobicContact CD1-CG2 4.09Å; I882-T905 PolarHBondContact N-O 2.89Å | ||
| 883 | D | 74.6 | Confident | 86.2 | Confident | 133 Ų | 133 | 47 Ų | 47 | 71% | 0.711 | 25% | 0.245 | S | C | * | . | trans | -90 | -28.6 | 179.8 | 59.3 | -4.6 | 0 | 0 | 0 | 113.2 | K859 P881 | K859-D883 PolarHBondContact O-N 2.64Å; P881-D883 PolarHBondContact O-N 2.61Å; P881-D883 VanDerWaalsContact O-N 3.17Å | ||
| 884 | E | 78 | Confident | 85.8 | Confident | 136 Ų | 136 | 43.2 Ų | 43.2 | 64% | 0.636 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 118.3 | -178.7 | -168.4 | -178.9 | -175.9 | 0 | 0 | 112.4 | K859 S860 I861 | K859-E884 PolarHBondContact O-N 2.99Å; S860-E884 VanDerWaalsContact CA-O 3.22Å; S860-E884 WeakPolarHBondContact CA-O 3.44Å; I861-E884 PolarHBondContact N-O 3.38Å; I861-E884 VanDerWaalsContact N-O 3.08Å |
| 885 | W | 76.4 | Confident | 85.3 | Confident | 46 Ų | 46 | 45.9 Ų | 45.9 | 17% | 0.174 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126.7 | 178.6 | -108.5 | 85.7 | 0 | 0 | 0 | 111.1 | I861 L877 I882 A889 F890 L902 L907 P911 | I861-W885 HydrophobicContact CB-CD2 4.32Å; I861-W885 HydrophobicContact CB-CH2 4.31Å; I861-W885 HydrophobicContact CB-CZ2 4.09Å; I861-W885 HydrophobicContact CG1-CH2 4.44Å; I861-W885 HydrophobicContact CG1-CZ2 3.82Å; I861-W885 HydrophobicContact CG2-CH2 3.9Å; I861-W885 HydrophobicContact CG2-CZ2 4.14Å; I861-W885 HydrophobicContact CG2-CZ3 4.28Å; L877-W885 HydrophobicContact CD1-CZ2 4.15Å; I882-W885 HydrophobicContact CG2-CG 4.38Å; W885-A889 HydrophobicContact CE3-CB 4.22Å; W885-A889 HydrophobicContact CH2-CB 4.28Å; W885-A889 HydrophobicContact CZ3-CB 3.66Å; W885-F890 HydrophobicContact CE3-CE2 4.22Å; W885-F890 HydrophobicContact CH2-CD1 4.37Å; W885-F890 AromaticContact CH2-CD2 3.83Å; W885-F890 HydrophobicContact CH2-CD2 3.83Å; W885-F890 AromaticContact CH2-CE1 3.68Å; W885-F890 HydrophobicContact CH2-CE1 3.68Å; W885-F890 AromaticContact CH2-CE2 3.04Å; W885-F890 HydrophobicContact CH2-CE2 3.04Å; W885-F890 HydrophobicContact CH2-CG 4.45Å; W885-F890 AromaticContact CH2-CZ 2.98Å; W885-F890 HydrophobicContact CH2-CZ 2.98Å; W885-F890 HydrophobicContact CZ2-CE2 4.01Å; W885-F890 AromaticContact CZ2-CZ 3.8Å; W885-F890 HydrophobicContact CZ2-CZ 3.8Å; W885-F890 AromaticContact CZ3-CD2 3.51Å; W885-F890 HydrophobicContact CZ3-CD2 3.51Å; W885-F890 HydrophobicContact CZ3-CE1 4.32Å; W885-F890 AromaticContact CZ3-CE2 3.1Å; W885-F890 HydrophobicContact CZ3-CE2 3.1Å; W885-F890 HydrophobicContact CZ3-CG 4.31Å; W885-F890 AromaticContact CZ3-CZ 3.61Å; W885-F890 HydrophobicContact CZ3-CZ 3.61Å; W885-L902 HydrophobicContact CZ2-CD2 4.08Å; W885-L907 HydrophobicContact CG-CD2 4.45Å; W885-P911 HydrophobicContact CE3-CB 4.22Å; W885-P911 HydrophobicContact CZ3-CB 4.36Å |
| 886 | N | 77.4 | Confident | 85 | Confident | 52 Ų | 52 | 46.5 Ų | 46.5 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | trans | -79 | 125.7 | 166.8 | -171.1 | -69.3 | 0 | 0 | 0 | 110.4 | I861 E863 S888 A889 | I861-N886 WeakPolarHBondContact O-CB 3.21Å; I861-N886 PolarHBondContact O-N 3.42Å; E863-N886 HydrophobicContact CB-CB 4.45Å; N886-S888 PolarHBondContact O-N 2.91Å; N886-S888 WeakPolarHBondContact OD1-CB 3.44Å; N886-S888 PolarHBondContact OD1-N 3.5Å; N886-A889 WeakPolarHBondContact O-CB 3.22Å; N886-A889 PolarHBondContact O-N 3.16Å; N886-A889 VanDerWaalsContact O-N 3.08Å | ||
| 887 | P | 68.8 | Low | 84.7 | Confident | 91 Ų | 91 | 45.5 Ų | 45.5 | 59% | 0.591 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -18.2 | -178.6 | -26.5 | 34.7 | 0 | 0 | 0 | 115.4 | ||
| 888 | S | 77.5 | Confident | 84.5 | Confident | 32 Ų | 32 | 46.6 Ų | 46.6 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 6.2 | -178.8 | -69.3 | 0 | 0 | 0 | 0 | 114.3 | N886 F890 R891 | N886-S888 PolarHBondContact O-N 2.91Å; N886-S888 WeakPolarHBondContact OD1-CB 3.44Å; N886-S888 PolarHBondContact OD1-N 3.5Å; S888-F890 PolarHBondContact O-N 2.8Å; S888-F890 VanDerWaalsContact O-N 3.12Å; S888-R891 WeakPolarHBondContact O-CB 3.44Å; S888-R891 PolarHBondContact O-N 3Å; S888-R891 PolarHBondContact OG-NH2 3.28Å |
| 889 | A | 81.5 | Confident | 84.5 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 2% | 0.017 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I861 S862 E863 W885 N886 | I861-A889 HydrophobicContact CG2-CB 3.59Å; S862-A889 VanDerWaalsContact O-CB 3.29Å; S862-A889 WeakPolarHBondContact O-CB 3.33Å; E863-A889 WeakPolarHBondContact O-CA 3.16Å; W885-A889 HydrophobicContact CE3-CB 4.22Å; W885-A889 HydrophobicContact CH2-CB 4.28Å; W885-A889 HydrophobicContact CZ3-CB 3.66Å; N886-A889 WeakPolarHBondContact O-CB 3.22Å; N886-A889 PolarHBondContact O-N 3.16Å; N886-A889 VanDerWaalsContact O-N 3.08Å |
| 890 | F | 85 | Confident | 84.5 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 1.9 | 176.8 | -64.3 | -58.3 | 0 | 0 | 0 | 114.5 | F866 L875 W885 S888 D892 V893 S894 L897 L902 P911 F913 | F866-F890 HydrophobicContact CD2-CD1 4.27Å; F866-F890 HydrophobicContact CD2-CE1 4.33Å; F866-F890 HydrophobicContact CE2-CD1 4.49Å; F866-F890 HydrophobicContact CE2-CE1 4.12Å; L875-F890 HydrophobicContact CD2-CE1 3.72Å; W885-F890 HydrophobicContact CE3-CE2 4.22Å; W885-F890 HydrophobicContact CH2-CD1 4.37Å; W885-F890 AromaticContact CH2-CD2 3.83Å; W885-F890 HydrophobicContact CH2-CD2 3.83Å; W885-F890 AromaticContact CH2-CE1 3.68Å; W885-F890 HydrophobicContact CH2-CE1 3.68Å; W885-F890 AromaticContact CH2-CE2 3.04Å; W885-F890 HydrophobicContact CH2-CE2 3.04Å; W885-F890 HydrophobicContact CH2-CG 4.45Å; W885-F890 AromaticContact CH2-CZ 2.98Å; W885-F890 HydrophobicContact CH2-CZ 2.98Å; W885-F890 HydrophobicContact CZ2-CE2 4.01Å; W885-F890 AromaticContact CZ2-CZ 3.8Å; W885-F890 HydrophobicContact CZ2-CZ 3.8Å; W885-F890 AromaticContact CZ3-CD2 3.51Å; W885-F890 HydrophobicContact CZ3-CD2 3.51Å; W885-F890 HydrophobicContact CZ3-CE1 4.32Å; W885-F890 AromaticContact CZ3-CE2 3.1Å; W885-F890 HydrophobicContact CZ3-CE2 3.1Å; W885-F890 HydrophobicContact CZ3-CG 4.31Å; W885-F890 AromaticContact CZ3-CZ 3.61Å; W885-F890 HydrophobicContact CZ3-CZ 3.61Å; S888-F890 PolarHBondContact O-N 2.8Å; S888-F890 VanDerWaalsContact O-N 3.12Å; F890-D892 VanDerWaalsContact C-N 3.29Å; F890-D892 PolarHBondContact O-N 3.06Å; F890-V893 HydrophobicContact CB-CG2 4.05Å; F890-V893 HydrophobicContact CD1-CG2 3.83Å; F890-V893 HydrophobicContact CG-CG2 4.44Å; F890-V893 CarbonylContact O-C 3.5Å; F890-V893 WeakPolarHBondContact O-CG2 3.43Å; F890-V893 PolarHBondContact O-N 3.33Å; F890-V893 VanDerWaalsContact O-N 3.08Å; F890-S894 PolarHBondContact O-N 3.31Å; F890-L897 HydrophobicContact CD1-CD2 4.02Å; F890-L897 HydrophobicContact CE1-CD2 4.2Å; F890-L902 HydrophobicContact CZ-CD1 4.35Å; F890-P911 HydrophobicContact CD2-CB 4.37Å; F890-P911 HydrophobicContact CE2-CB 3.91Å; F890-F913 HydrophobicContact CD1-CD1 4.45Å; F890-F913 AromaticContact CD2-CD1 3.4Å; F890-F913 HydrophobicContact CD2-CD1 3.4Å; F890-F913 VanDerWaalsContact CD2-CD1 3.4Å; F890-F913 AromaticContact CD2-CE1 3.67Å; F890-F913 HydrophobicContact CD2-CE1 3.67Å; F890-F913 HydrophobicContact CD2-CG 4.3Å; F890-F913 HydrophobicContact CE1-CE1 4.4Å; F890-F913 AromaticContact CE2-CD1 3.44Å; F890-F913 HydrophobicContact CE2-CD1 3.44Å; F890-F913 VanDerWaalsContact CE2-CD1 3.44Å; F890-F913 AromaticContact CE2-CE1 3.15Å; F890-F913 HydrophobicContact CE2-CE1 3.15Å; F890-F913 HydrophobicContact CE2-CZ 4.1Å; F890-F913 AromaticContact CG-CD1 3.91Å; F890-F913 HydrophobicContact CG-CD1 3.91Å; F890-F913 HydrophobicContact CG-CE1 4.43Å; F890-F913 AromaticContact CZ-CD1 3.99Å; F890-F913 HydrophobicContact CZ-CD1 3.99Å; F890-F913 AromaticContact CZ-CE1 3.55Å; F890-F913 HydrophobicContact CZ-CE1 3.55Å |
| 891 | R | 83.5 | Confident | 84.9 | Confident | 137 Ų | 137 | 47.2 Ų | 47.2 | 52% | 0.517 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -47 | -172.4 | -174.3 | -172.3 | -65 | 158.3 | 4.4 | 112.2 | E863 S888 S894 | E863-R891 IonicContact OE1-CZ 3.93Å; E863-R891 IonicContact OE1-NH1 2.73Å; E863-R891 PolarHBondContact OE1-NH1 3.41Å; E863-R891 IonicContact OE1-NH2 3.75Å; E863-R891 PolarHBondContact OE1-NH2 3.31Å; S888-R891 WeakPolarHBondContact O-CB 3.44Å; S888-R891 PolarHBondContact O-N 3Å; S888-R891 PolarHBondContact OG-NH2 3.28Å; R891-S894 WeakPolarHBondContact O-CB 3.42Å; R891-S894 PolarHBondContact O-N 2.98Å; R891-S894 PolarHBondContact O-OG 3.06Å |
| 892 | D | 84.9 | Confident | 85.2 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -26.5 | -176.9 | -89.5 | 24.5 | 0 | 0 | 0 | 114.1 | K867 G868 F890 | K867-D892 WeakPolarHBondContact CA-OD2 3.46Å; K867-D892 VanDerWaalsContact CG-OD2 3.24Å; K867-D892 WeakPolarHBondContact CG-OD2 3.17Å; G868-D892 PolarHBondContact N-OD2 3.34Å; F890-D892 VanDerWaalsContact C-N 3.29Å; F890-D892 PolarHBondContact O-N 3.06Å |
| 893 | V | 88.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -2.2 | 179.8 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | F866 L869 L872 F890 Q895 S896 L897 | F866-V893 HydrophobicContact CB-CG1 3.93Å; L869-V893 HydrophobicContact CB-CG1 3.94Å; L869-V893 WeakPolarHBondContact O-CG1 3.4Å; L872-V893 HydrophobicContact CB-CG1 4.3Å; L872-V893 HydrophobicContact CD2-CG1 4.22Å; F890-V893 HydrophobicContact CB-CG2 4.05Å; F890-V893 HydrophobicContact CD1-CG2 3.83Å; F890-V893 HydrophobicContact CG-CG2 4.44Å; F890-V893 CarbonylContact O-C 3.5Å; F890-V893 WeakPolarHBondContact O-CG2 3.43Å; F890-V893 PolarHBondContact O-N 3.33Å; F890-V893 VanDerWaalsContact O-N 3.08Å; V893-Q895 PolarHBondContact O-N 3.01Å; V893-S896 PolarHBondContact O-N 3.1Å; V893-S896 PolarHBondContact O-OG 3.25Å; V893-L897 HydrophobicContact CB-CB 4.4Å; V893-L897 HydrophobicContact CG2-CD2 3.97Å; V893-L897 VanDerWaalsContact O-CB 3.29Å; V893-L897 WeakPolarHBondContact O-CB 3.22Å; V893-L897 PolarHBondContact O-N 3.15Å |
| 894 | S | 85.9 | Confident | 86.5 | Confident | 19 Ų | 19 | 42 Ų | 42 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -24.1 | -176.2 | 62.9 | 0 | 0 | 0 | 0 | 114.9 | F890 R891 F913 | F890-S894 PolarHBondContact O-N 3.31Å; R891-S894 WeakPolarHBondContact O-CB 3.42Å; R891-S894 PolarHBondContact O-N 2.98Å; R891-S894 PolarHBondContact O-OG 3.06Å; S894-F913 WeakPolarHBondContact CA-O 3.27Å; S894-F913 WeakPolarHBondContact CB-O 3.37Å |
| 895 | Q | 86.1 | Confident | 87 | Confident | 102 Ų | 102 | 35.6 Ų | 35.6 | 48% | 0.477 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -16.5 | 179 | -56.2 | -51.7 | -59.5 | 0 | 0 | 113.8 | V893 S917 | V893-Q895 PolarHBondContact O-N 3.01Å; Q895-S917 VanDerWaalsContact C-OG 3.24Å; Q895-S917 WeakPolarHBondContact O-CB 3.23Å; Q895-S917 PolarHBondContact O-OG 3.34Å |
| 896 | S | 90.4 | Very high | 87.5 | Confident | 13 Ų | 13 | 34.8 Ų | 34.8 | 9% | 0.091 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -27.8 | -174.6 | 64.9 | 0 | 0 | 0 | 0 | 113.7 | R870 L872 V893 E898 | R870-S896 WeakPolarHBondContact O-CB 3.32Å; L872-S896 CarbonylContact O-C 3.55Å; L872-S896 VanDerWaalsContact O-CB 3.26Å; L872-S896 WeakPolarHBondContact O-CB 3.46Å; L872-S896 VanDerWaalsContact O-O 3.05Å; L872-S896 PolarHBondContact O-OG 2.87Å; V893-S896 PolarHBondContact O-N 3.1Å; V893-S896 PolarHBondContact O-OG 3.25Å; S896-E898 PolarHBondContact O-N 3.19Å |
| 897 | L | 90.8 | Very high | 87.9 | Confident | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | trans | -72.6 | 121.7 | -171.2 | -158.6 | 64.3 | 0 | 0 | 0 | 110.8 | L872 L875 F890 V893 V900 S917 L918 | L872-L897 HydrophobicContact CD2-CD1 4.08Å; L872-L897 HydrophobicContact CG-CD1 4.04Å; L872-L897 VanDerWaalsContact O-CA 3.3Å; L872-L897 WeakPolarHBondContact O-CA 3.29Å; L872-L897 PolarHBondContact O-N 2.79Å; L875-L897 HydrophobicContact CB-CD1 3.83Å; F890-L897 HydrophobicContact CD1-CD2 4.02Å; F890-L897 HydrophobicContact CE1-CD2 4.2Å; V893-L897 HydrophobicContact CB-CB 4.4Å; V893-L897 HydrophobicContact CG2-CD2 3.97Å; V893-L897 VanDerWaalsContact O-CB 3.29Å; V893-L897 WeakPolarHBondContact O-CB 3.22Å; V893-L897 PolarHBondContact O-N 3.15Å; L897-V900 HydrophobicContact CD1-CG2 4.09Å; L897-V900 HydrophobicContact CD2-CG2 3.16Å; L897-V900 HydrophobicContact CG-CG2 3.42Å; L897-V900 VanDerWaalsContact CG-CG2 3.42Å; L897-S917 CarbonylContact O-C 3.58Å; L897-S917 WeakPolarHBondContact O-CB 3.23Å; L897-L918 WeakPolarHBondContact O-CA 3.2Å; L897-L918 PolarHBondContact O-N 3.15Å | ||
| 898 | E | 93.2 | Very high | 88.6 | Confident | 22 Ų | 22 | 36.3 Ų | 36.3 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | trans | -112.5 | -34.4 | -176.7 | -73 | -179 | -132.5 | 0 | 0 | 112.4 | R873 S896 K919 E920 | R873-E898 HydrophobicContact CB-CB 4.48Å; R873-E898 IonicContact CZ-OE1 2.82Å; R873-E898 IonicContact CZ-OE2 3.52Å; R873-E898 IonicContact NE-OE1 3.93Å; R873-E898 PolarHBondContact NE-OE1 3.27Å; R873-E898 IonicContact NE-OE2 2.69Å; R873-E898 IonicContact NH2-OE1 2.83Å; R873-E898 PolarHBondContact NH2-OE1 2.73Å; R873-E898 IonicContact NH2-OE2 3.81Å; R873-E898 PolarHBondContact NH2-OE2 3.2Å; R873-E898 CarbonylContact O-C 3.59Å; R873-E898 WeakPolarHBondContact O-CA 3.45Å; R873-E898 PolarHBondContact O-N 3.38Å; S896-E898 PolarHBondContact O-N 3.19Å; E898-K919 CarbonylContact O-C 3.6Å; E898-K919 WeakPolarHBondContact O-CA 3.39Å; E898-K919 PolarHBondContact O-N 2.94Å; E898-K919 IonicContact OE2-NZ 2.61Å; E898-K919 PolarHBondContact OE2-NZ 3Å; E898-E920 PolarHBondContact O-N 3.26Å | ||
| 899 | S | 95.4 | Very high | 88.8 | Confident | 21 Ų | 21 | 38.4 Ų | 38.4 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 125.5 | 179.6 | -173.7 | 0 | 0 | 0 | 0 | 110.3 | R873 L874 L875 E920 | R873-S899 PolarHBondContact O-N 3.44Å; L874-S899 WeakPolarHBondContact CA-O 3.34Å; L875-S899 PolarHBondContact N-O 2.77Å; S899-E920 WeakPolarHBondContact CA-O 3.34Å; S899-E920 WeakPolarHBondContact CB-OE2 3.34Å; S899-E920 PolarHBondContact OG-OE2 2.83Å |
| 900 | V | 94.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 126.8 | 178.4 | 177 | 0 | 0 | 0 | 0 | 110.4 | L875 L897 L902 F913 L918 E920 L921 N922 | L875-V900 WeakPolarHBondContact O-CA 3.18Å; L897-V900 HydrophobicContact CD1-CG2 4.09Å; L897-V900 HydrophobicContact CD2-CG2 3.16Å; L897-V900 HydrophobicContact CG-CG2 3.42Å; L897-V900 VanDerWaalsContact CG-CG2 3.42Å; V900-L902 HydrophobicContact CG1-CD1 3.66Å; V900-L902 HydrophobicContact CG1-CG 3.66Å; V900-F913 HydrophobicContact CB-CE1 4.47Å; V900-F913 HydrophobicContact CG1-CE1 3.98Å; V900-F913 HydrophobicContact CG1-CZ 4.46Å; V900-F913 HydrophobicContact CG2-CE1 4.38Å; V900-L918 HydrophobicContact CB-CD1 3.98Å; V900-L918 HydrophobicContact CG2-CD1 3.5Å; V900-E920 PolarHBondContact N-O 2.97Å; V900-L921 HydrophobicContact CB-CD1 4.1Å; V900-L921 HydrophobicContact CG1-CD1 4.2Å; V900-L921 WeakPolarHBondContact O-CA 3.44Å; V900-N922 PolarHBondContact O-N 2.94Å |
| 901 | N | 95.5 | Very high | 88.5 | Confident | 34 Ų | 34 | 39.9 Ų | 39.9 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114.7 | 171.8 | -174.4 | 7.7 | 0 | 0 | 0 | 110.5 | L875 D876 L877 S878 A903 N922 | L875-N901 PolarHBondContact O-N 2.98Å; D876-N901 HydrophobicContact CB-CB 4.27Å; D876-N901 WeakPolarHBondContact OD1-CB 3.27Å; D876-N901 PolarHBondContact OD1-ND2 3.49Å; D876-N901 PolarHBondContact OD2-ND2 2.98Å; L877-N901 PolarHBondContact N-O 2.8Å; S878-N901 WeakPolarHBondContact CB-OD1 3.48Å; S878-N901 PolarHBondContact N-O 3.18Å; S878-N901 PolarHBondContact OG-ND2 3.14Å; N901-A903 WeakPolarHBondContact OD1-CB 3.26Å; N901-A903 PolarHBondContact OD1-N 3.46Å; N901-A903 VanDerWaalsContact OD1-N 3.12Å; N901-N922 HydrophobicContact CB-CB 4.41Å; N901-N922 WeakPolarHBondContact OD1-CB 3.32Å |
| 902 | L | 94.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -124.7 | 24.4 | 178.7 | -71.8 | 165.3 | 0 | 0 | 0 | 110.5 | L877 W885 F890 V900 D904 T905 L907 P911 F913 N922 L923 N926 | L877-L902 HydrophobicContact CB-CD2 3.88Å; L877-L902 HydrophobicContact CD1-CD2 3.91Å; W885-L902 HydrophobicContact CZ2-CD2 4.08Å; F890-L902 HydrophobicContact CZ-CD1 4.35Å; V900-L902 HydrophobicContact CG1-CD1 3.66Å; V900-L902 HydrophobicContact CG1-CG 3.66Å; L902-D904 PolarHBondContact O-N 2.77Å; L902-T905 HydrophobicContact CB-CG2 4.47Å; L902-T905 HydrophobicContact CD2-CG2 4.36Å; L902-T905 WeakPolarHBondContact O-CG2 3.5Å; L902-T905 PolarHBondContact O-OG1 3.21Å; L902-L907 HydrophobicContact CB-CD1 4.02Å; L902-L907 HydrophobicContact CD1-CD1 4.22Å; L902-P911 HydrophobicContact CD1-CG 4.11Å; L902-F913 HydrophobicContact CD1-CE1 3.93Å; L902-F913 HydrophobicContact CD1-CZ 3.69Å; L902-N922 CarbonylContact C-O 3.53Å; L902-N922 WeakPolarHBondContact CA-O 2.86Å; L902-N922 PolarHBondContact N-O 3.4Å; L902-L923 HydrophobicContact CB-CD2 4.01Å; L902-L923 HydrophobicContact CD1-CD2 4.16Å; L902-N926 PolarHBondContact O-ND2 3.34Å | ||
| 903 | A | 95.2 | Very high | 88 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 139 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S878 G879 N901 T905 N922 S924 | S878-A903 CarbonylContact C-O 3.19Å; S878-A903 WeakPolarHBondContact CA-O 3.29Å; S878-A903 WeakPolarHBondContact CB-O 3.4Å; G879-A903 PolarHBondContact N-O 3.06Å; N901-A903 WeakPolarHBondContact OD1-CB 3.26Å; N901-A903 PolarHBondContact OD1-N 3.46Å; N901-A903 VanDerWaalsContact OD1-N 3.12Å; A903-T905 PolarHBondContact O-N 3.32Å; A903-N922 PolarHBondContact N-O 3.42Å; A903-S924 CarbonylContact C-O 3.58Å; A903-S924 WeakPolarHBondContact CA-O 3.26Å; A903-S924 WeakPolarHBondContact CB-OG 3.31Å |
| 904 | D | 94.2 | Very high | 87.1 | Confident | 94 Ų | 94 | 35 Ų | 35 | 50% | 0.503 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 51.1 | 176.7 | -165.7 | 29.5 | 0 | 0 | 0 | 112.8 | G879 L902 S924 R925 | G879-D904 WeakPolarHBondContact CA-O 3.25Å; G879-D904 PolarHBondContact N-O 2.98Å; L902-D904 PolarHBondContact O-N 2.77Å; D904-S924 PolarHBondContact N-O 3.17Å; D904-R925 WeakPolarHBondContact CA-O 3.35Å; D904-R925 HydrophobicContact CB-CB 4.04Å |
| 905 | T | 88.6 | Confident | 85.8 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -111.7 | -2.1 | 178.5 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | L877 N880 I882 L902 A903 L907 N926 | L877-T905 WeakPolarHBondContact O-CG2 3.31Å; N880-T905 VanDerWaalsContact O-CA 3.22Å; N880-T905 WeakPolarHBondContact O-CA 3.35Å; I882-T905 CarbonylContact C-O 3.08Å; I882-T905 HydrophobicContact CD1-CG2 4.09Å; I882-T905 PolarHBondContact N-O 2.89Å; L902-T905 HydrophobicContact CB-CG2 4.47Å; L902-T905 HydrophobicContact CD2-CG2 4.36Å; L902-T905 WeakPolarHBondContact O-CG2 3.5Å; L902-T905 PolarHBondContact O-OG1 3.21Å; A903-T905 PolarHBondContact O-N 3.32Å; T905-L907 WeakPolarHBondContact OG1-CD1 3.43Å; T905-L907 WeakPolarHBondContact OG1-CG 3.49Å; T905-N926 PolarHBondContact N-OD1 3.39Å; T905-N926 PolarHBondContact OG1-OD1 2.85Å |
| 906 | G | 85.4 | Confident | 85.1 | Confident | 29 Ų | 29 | 37.6 Ų | 37.6 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | trans | 85.3 | 14.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y908 N926 | G906-Y908 WeakPolarHBondContact O-CD2 3.26Å; G906-Y908 WeakPolarHBondContact O-CE2 3.21Å; G906-N926 PolarHBondContact N-OD1 2.94Å | ||
| 907 | L | 85.6 | Confident | 84.7 | Confident | 13 Ų | 13 | 37.5 Ų | 37.5 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | trans | -66.9 | 133.7 | -175.1 | -66.6 | 170.1 | 0 | 0 | 0 | 112.7 | W885 L902 T905 P911 L923 N926 H927 I928 | W885-L907 HydrophobicContact CG-CD2 4.45Å; L902-L907 HydrophobicContact CB-CD1 4.02Å; L902-L907 HydrophobicContact CD1-CD1 4.22Å; T905-L907 WeakPolarHBondContact OG1-CD1 3.43Å; T905-L907 WeakPolarHBondContact OG1-CG 3.49Å; L907-P911 HydrophobicContact CD1-CG 3.97Å; L907-P911 HydrophobicContact CD2-CG 3.99Å; L907-L923 HydrophobicContact CD1-CD2 3.81Å; L907-N926 HydrophobicContact CB-CB 4.11Å; L907-N926 PolarHBondContact N-OD1 3.23Å; L907-H927 CarbonylContact O-C 3.11Å; L907-H927 VanDerWaalsContact O-CA 3.3Å; L907-H927 WeakPolarHBondContact O-CA 3.27Å; L907-H927 PolarHBondContact O-N 2.97Å; L907-I928 HydrophobicContact CB-CD1 4.44Å; L907-I928 HydrophobicContact CB-CG1 4.33Å; L907-I928 PolarHBondContact O-N 2.96Å | ||
| 908 | Y | 83.9 | Confident | 84.6 | Confident | 161 Ų | 161 | 37.5 Ų | 37.5 | 63% | 0.631 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -96.3 | -18.1 | 172.2 | -68 | -91.2 | 0 | 0 | 0 | 113.2 | G906 H927 | G906-Y908 WeakPolarHBondContact O-CD2 3.26Å; G906-Y908 WeakPolarHBondContact O-CE2 3.21Å; Y908-H927 HydrophobicContact CD1-CB 3.78Å; Y908-H927 HydrophobicContact CE1-CB 3.87Å; Y908-H927 HydrophobicContact CG-CB 4.29Å; Y908-H927 AromaticContact CZ-CD2 3.9Å |
| 909 | S | 82.1 | Confident | 84.6 | Confident | 76 Ų | 76 | 39.5 Ų | 39.5 | 53% | 0.531 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -147.9 | 164.3 | 178.7 | 58.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 910 | V | 82.5 | Confident | 84.6 | Confident | 20 Ų | 20 | 43 Ų | 43 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | trans | -74.4 | 126.7 | 179.9 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | F913 L923 I928 L931 M933 | V910-F913 HydrophobicContact CG1-CE2 3.99Å; V910-L923 HydrophobicContact CG1-CD1 4.14Å; V910-L923 HydrophobicContact CG2-CD1 3.96Å; V910-I928 HydrophobicContact CG2-CD1 4.34Å; V910-L931 HydrophobicContact CG2-CD2 3.78Å; V910-M933 HydrophobicContact CB-CG 4.39Å; V910-M933 HydrophobicContact CG1-CG 4.38Å; V910-M933 HydrophobicContact CG1-SD 4.09Å | ||
| 911 | P | 78.7 | Confident | 84.6 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | trans | -63.2 | 153.9 | 175.8 | -24.7 | 35.5 | 0 | 0 | 0 | 113.4 | W885 F890 L902 L907 F913 | W885-P911 HydrophobicContact CE3-CB 4.22Å; W885-P911 HydrophobicContact CZ3-CB 4.36Å; F890-P911 HydrophobicContact CD2-CB 4.37Å; F890-P911 HydrophobicContact CE2-CB 3.91Å; L902-P911 HydrophobicContact CD1-CG 4.11Å; L907-P911 HydrophobicContact CD1-CG 3.97Å; L907-P911 HydrophobicContact CD2-CG 3.99Å; P911-F913 HydrophobicContact CB-CE1 4.4Å; P911-F913 HydrophobicContact CB-CE2 4.35Å; P911-F913 HydrophobicContact CB-CZ 4.05Å; P911-F913 HydrophobicContact CG-CZ 4.25Å; P911-F913 WeakPolarHBondContact O-CD2 3.08Å; P911-F913 VanDerWaalsContact O-CE2 3.24Å; P911-F913 WeakPolarHBondContact O-CE2 3Å; P911-F913 PolarHBondContact O-N 3.28Å | ||
| 912 | N | 79.5 | Confident | 84.6 | Confident | 56 Ų | 56 | 43.6 Ų | 43.6 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | trans | -81.2 | 106.3 | 174.9 | -177.9 | -3.2 | 0 | 0 | 0 | 111.3 | G914 I937 | N912-G914 PolarHBondContact OD1-N 3.08Å; N912-I937 HydrophobicContact CB-CD1 3.96Å; N912-I937 WeakPolarHBondContact ND2-CD1 3.31Å; N912-I937 VanDerWaalsContact OD1-CD1 3.27Å; N912-I937 WeakPolarHBondContact OD1-CD1 3.37Å | ||
| 913 | F | 77.6 | Confident | 84.6 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | trans | -87.9 | -2.1 | 177.2 | -56 | -78.4 | 0 | 0 | 0 | 114.1 | F890 S894 V900 L902 V910 P911 G915 L918 L921 | F890-F913 HydrophobicContact CD1-CD1 4.45Å; F890-F913 AromaticContact CD2-CD1 3.4Å; F890-F913 HydrophobicContact CD2-CD1 3.4Å; F890-F913 VanDerWaalsContact CD2-CD1 3.4Å; F890-F913 AromaticContact CD2-CE1 3.67Å; F890-F913 HydrophobicContact CD2-CE1 3.67Å; F890-F913 HydrophobicContact CD2-CG 4.3Å; F890-F913 HydrophobicContact CE1-CE1 4.4Å; F890-F913 AromaticContact CE2-CD1 3.44Å; F890-F913 HydrophobicContact CE2-CD1 3.44Å; F890-F913 VanDerWaalsContact CE2-CD1 3.44Å; F890-F913 AromaticContact CE2-CE1 3.15Å; F890-F913 HydrophobicContact CE2-CE1 3.15Å; F890-F913 HydrophobicContact CE2-CZ 4.1Å; F890-F913 AromaticContact CG-CD1 3.91Å; F890-F913 HydrophobicContact CG-CD1 3.91Å; F890-F913 HydrophobicContact CG-CE1 4.43Å; F890-F913 AromaticContact CZ-CD1 3.99Å; F890-F913 HydrophobicContact CZ-CD1 3.99Å; F890-F913 AromaticContact CZ-CE1 3.55Å; F890-F913 HydrophobicContact CZ-CE1 3.55Å; S894-F913 WeakPolarHBondContact CA-O 3.27Å; S894-F913 WeakPolarHBondContact CB-O 3.37Å; V900-F913 HydrophobicContact CB-CE1 4.47Å; V900-F913 HydrophobicContact CG1-CE1 3.98Å; V900-F913 HydrophobicContact CG1-CZ 4.46Å; V900-F913 HydrophobicContact CG2-CE1 4.38Å; L902-F913 HydrophobicContact CD1-CE1 3.93Å; L902-F913 HydrophobicContact CD1-CZ 3.69Å; V910-F913 HydrophobicContact CG1-CE2 3.99Å; P911-F913 HydrophobicContact CB-CE1 4.4Å; P911-F913 HydrophobicContact CB-CE2 4.35Å; P911-F913 HydrophobicContact CB-CZ 4.05Å; P911-F913 HydrophobicContact CG-CZ 4.25Å; P911-F913 WeakPolarHBondContact O-CD2 3.08Å; P911-F913 VanDerWaalsContact O-CE2 3.24Å; P911-F913 WeakPolarHBondContact O-CE2 3Å; P911-F913 PolarHBondContact O-N 3.28Å; F913-G915 PolarHBondContact O-N 3.28Å; F913-L918 HydrophobicContact CD1-CD2 4.49Å; F913-L918 HydrophobicContact CD2-CD2 4.03Å; F913-L918 HydrophobicContact CE2-CD2 4.34Å; F913-L918 HydrophobicContact CG-CD2 4.11Å; F913-L921 HydrophobicContact CE2-CD1 4.13Å; F913-L921 HydrophobicContact CE2-CD2 3.97Å; F913-L921 HydrophobicContact CZ-CD1 3.81Å; F913-L921 HydrophobicContact CZ-CD2 4.48Å | ||
| 914 | G | 69.2 | Low | 84.7 | Confident | 33 Ų | 33 | 43.6 Ų | 43.6 | 34% | 0.34 | 23% | 0.229 | S | C | . | . | trans | 71.2 | -0.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115 | N912 R916 | N912-G914 PolarHBondContact OD1-N 3.08Å; G914-R916 WeakPolarHBondContact O-CG 3.4Å; G914-R916 PolarHBondContact O-N 3.22Å | ||
| 915 | G | 59.7 | Low | 84.7 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 84.7 | -9.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | F913 | F913-G915 PolarHBondContact O-N 3.28Š|
| 916 | R | 69.9 | Low | 84.8 | Confident | 167 Ų | 167 | 45.5 Ų | 45.5 | 63% | 0.63 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -99.9 | -22.2 | -157.8 | -59.3 | -158.2 | -176.1 | -142.5 | -2.6 | 118.4 | G914 K941 | G914-R916 WeakPolarHBondContact O-CG 3.4Å; G914-R916 PolarHBondContact O-N 3.22Å; R916-K941 WeakPolarHBondContact O-CD 3.4Å; R916-K941 WeakPolarHBondContact O-CE 3.45Å; R916-K941 PolarHBondContact O-NZ 2.93Å; R916-K941 VanDerWaalsContact O-NZ 3.16Å |
| 917 | S | 82 | Confident | 85 | Confident | 11 Ų | 11 | 47.1 Ų | 47.1 | 8% | 0.077 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -131.4 | -9.2 | -171.7 | -63 | 0 | 0 | 0 | 0 | 115.8 | Q895 L897 K919 | Q895-S917 VanDerWaalsContact C-OG 3.24Å; Q895-S917 WeakPolarHBondContact O-CB 3.23Å; Q895-S917 PolarHBondContact O-OG 3.34Å; L897-S917 CarbonylContact O-C 3.58Å; L897-S917 WeakPolarHBondContact O-CB 3.23Å; S917-K919 PolarHBondContact O-N 2.97Å |
| 918 | L | 89.9 | Confident | 85.2 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | trans | -67.4 | 126.7 | -174.5 | -164.9 | 67.8 | 0 | 0 | 0 | 111.4 | L897 V900 F913 E920 L921 L939 K941 L942 | L897-L918 WeakPolarHBondContact O-CA 3.2Å; L897-L918 PolarHBondContact O-N 3.15Å; V900-L918 HydrophobicContact CB-CD1 3.98Å; V900-L918 HydrophobicContact CG2-CD1 3.5Å; F913-L918 HydrophobicContact CD1-CD2 4.49Å; F913-L918 HydrophobicContact CD2-CD2 4.03Å; F913-L918 HydrophobicContact CE2-CD2 4.34Å; F913-L918 HydrophobicContact CG-CD2 4.11Å; L918-E920 WeakPolarHBondContact CD1-O 3.48Å; L918-L921 HydrophobicContact CD2-CB 4.02Å; L918-L921 HydrophobicContact CD2-CD1 4.23Å; L918-L921 HydrophobicContact CD2-CD2 3.99Å; L918-L921 HydrophobicContact CD2-CG 4.3Å; L918-L939 HydrophobicContact CB-CD2 4.16Å; L918-L939 HydrophobicContact CD2-CD1 4.44Å; L918-L939 HydrophobicContact CD2-CD2 4.09Å; L918-K941 CarbonylContact O-C 3.21Å; L918-L942 HydrophobicContact CD2-CD1 4.14Å; L918-L942 HydrophobicContact CG-CD1 3.99Å; L918-L942 WeakPolarHBondContact O-CA 3.17Å; L918-L942 PolarHBondContact O-N 2.8Å | ||
| 919 | K | 92.5 | Very high | 85.3 | Confident | 64 Ų | 64 | 42.5 Ų | 42.5 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | trans | -112 | -34.5 | 178.3 | -64.5 | 179 | -174.5 | 160.6 | 0 | 112.1 | E898 S917 E943 T944 | E898-K919 CarbonylContact O-C 3.6Å; E898-K919 WeakPolarHBondContact O-CA 3.39Å; E898-K919 PolarHBondContact O-N 2.94Å; E898-K919 IonicContact OE2-NZ 2.61Å; E898-K919 PolarHBondContact OE2-NZ 3Å; S917-K919 PolarHBondContact O-N 2.97Å; K919-E943 HydrophobicContact CB-CG 4.38Å; K919-E943 CarbonylContact O-C 3.49Å; K919-E943 WeakPolarHBondContact O-CA 3.35Å; K919-E943 PolarHBondContact O-N 3.4Å; K919-T944 PolarHBondContact O-N 2.99Å | ||
| 920 | E | 95.3 | Very high | 85.4 | Confident | 96 Ų | 96 | 42.9 Ų | 42.9 | 45% | 0.449 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.2 | -178.9 | -60.9 | 174.2 | 179.9 | 0 | 0 | 110.1 | E898 S899 V900 L918 T944 | E898-E920 PolarHBondContact O-N 3.26Å; S899-E920 WeakPolarHBondContact CA-O 3.34Å; S899-E920 WeakPolarHBondContact CB-OE2 3.34Å; S899-E920 PolarHBondContact OG-OE2 2.83Å; V900-E920 PolarHBondContact N-O 2.97Å; L918-E920 WeakPolarHBondContact CD1-O 3.48Å; E920-T944 WeakPolarHBondContact CA-O 3.49Å |
| 921 | L | 94.3 | Very high | 85.5 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 119.5 | -179.9 | -179.9 | 55.8 | 0 | 0 | 0 | 110.5 | V900 F913 L918 L923 L939 L942 T944 L945 D946 | V900-L921 HydrophobicContact CB-CD1 4.1Å; V900-L921 HydrophobicContact CG1-CD1 4.2Å; V900-L921 WeakPolarHBondContact O-CA 3.44Å; F913-L921 HydrophobicContact CE2-CD1 4.13Å; F913-L921 HydrophobicContact CE2-CD2 3.97Å; F913-L921 HydrophobicContact CZ-CD1 3.81Å; F913-L921 HydrophobicContact CZ-CD2 4.48Å; L918-L921 HydrophobicContact CD2-CB 4.02Å; L918-L921 HydrophobicContact CD2-CD1 4.23Å; L918-L921 HydrophobicContact CD2-CD2 3.99Å; L918-L921 HydrophobicContact CD2-CG 4.3Å; L921-L923 HydrophobicContact CD1-CD1 4.42Å; L921-L923 HydrophobicContact CD1-CD2 4.14Å; L921-L923 HydrophobicContact CD1-CG 3.93Å; L921-L923 HydrophobicContact CD2-CD1 3.78Å; L921-L923 HydrophobicContact CD2-CG 4.19Å; L921-L923 HydrophobicContact CG-CD1 4.01Å; L921-L923 HydrophobicContact CG-CG 3.87Å; L921-L939 HydrophobicContact CD2-CD1 4.17Å; L921-L942 HydrophobicContact CB-CD1 3.58Å; L921-L942 HydrophobicContact CB-CD2 4.37Å; L921-T944 PolarHBondContact N-O 2.75Å; L921-L945 HydrophobicContact CB-CD1 4.12Å; L921-L945 HydrophobicContact CD2-CD1 4.09Å; L921-L945 HydrophobicContact CG-CD1 4.06Å; L921-L945 WeakPolarHBondContact O-CA 3.02Å; L921-D946 PolarHBondContact O-N 3.36Å |
| 922 | N | 95.4 | Very high | 85.3 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 115 | 171.4 | -172.6 | -10.4 | 0 | 0 | 0 | 109.9 | V900 N901 L902 A903 S924 D946 | V900-N922 PolarHBondContact O-N 2.94Å; N901-N922 HydrophobicContact CB-CB 4.41Å; N901-N922 WeakPolarHBondContact OD1-CB 3.32Å; L902-N922 CarbonylContact C-O 3.53Å; L902-N922 WeakPolarHBondContact CA-O 2.86Å; L902-N922 PolarHBondContact N-O 3.4Å; A903-N922 PolarHBondContact N-O 3.42Å; N922-S924 VanDerWaalsContact OD1-CB 3.29Å; N922-S924 WeakPolarHBondContact OD1-CB 3.36Å; N922-S924 PolarHBondContact OD1-N 3.17Å; N922-S924 PolarHBondContact OD1-OG 3.12Å; N922-D946 HydrophobicContact CB-CB 4.48Å |
| 923 | L | 94.7 | Very high | 84.9 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | trans | -118.7 | 17 | 177 | -68.5 | 170.1 | 0 | 0 | 0 | 111.4 | L902 L907 V910 L921 N926 I928 L945 D946 V947 N950 | L902-L923 HydrophobicContact CB-CD2 4.01Å; L902-L923 HydrophobicContact CD1-CD2 4.16Å; L907-L923 HydrophobicContact CD1-CD2 3.81Å; V910-L923 HydrophobicContact CG1-CD1 4.14Å; V910-L923 HydrophobicContact CG2-CD1 3.96Å; L921-L923 HydrophobicContact CD1-CD1 4.42Å; L921-L923 HydrophobicContact CD1-CD2 4.14Å; L921-L923 HydrophobicContact CD1-CG 3.93Å; L921-L923 HydrophobicContact CD2-CD1 3.78Å; L921-L923 HydrophobicContact CD2-CG 4.19Å; L921-L923 HydrophobicContact CG-CD1 4.01Å; L921-L923 HydrophobicContact CG-CG 3.87Å; L923-N926 PolarHBondContact O-ND2 2.95Å; L923-I928 HydrophobicContact CB-CD1 4.04Å; L923-I928 HydrophobicContact CD1-CD1 4.07Å; L923-I928 HydrophobicContact CD2-CD1 4.29Å; L923-I928 HydrophobicContact CG-CD1 4.38Å; L923-L945 HydrophobicContact CD1-CD1 4.49Å; L923-D946 CarbonylContact C-O 3.57Å; L923-D946 WeakPolarHBondContact CA-O 3.38Å; L923-D946 PolarHBondContact N-O 3.22Å; L923-V947 HydrophobicContact CB-CG1 4.33Å; L923-V947 HydrophobicContact CD1-CG1 4.47Å; L923-N950 PolarHBondContact O-ND2 2.63Å | ||
| 924 | S | 97.1 | Very high | 84.2 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 7% | 0.07 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 156.4 | -176.5 | 62.6 | 0 | 0 | 0 | 0 | 112.8 | A903 D904 N922 N926 D946 S948 | A903-S924 CarbonylContact C-O 3.58Å; A903-S924 WeakPolarHBondContact CA-O 3.26Å; A903-S924 WeakPolarHBondContact CB-OG 3.31Å; D904-S924 PolarHBondContact N-O 3.17Å; N922-S924 VanDerWaalsContact OD1-CB 3.29Å; N922-S924 WeakPolarHBondContact OD1-CB 3.36Å; N922-S924 PolarHBondContact OD1-N 3.17Å; N922-S924 PolarHBondContact OD1-OG 3.12Å; S924-N926 VanDerWaalsContact C-N 3.31Å; S924-N926 PolarHBondContact O-N 3.17Å; S924-N926 PolarHBondContact O-ND2 3.16Å; S924-D946 PolarHBondContact N-O 3.12Å; S924-S948 CarbonylContact C-O 3.59Å; S924-S948 WeakPolarHBondContact CA-O 3.42Å; S924-S948 WeakPolarHBondContact CB-O 3.4Å; S924-S948 WeakPolarHBondContact CB-OG 3.47Å |
| 925 | R | 94.6 | Very high | 83.4 | Confident | 131 Ų | 131 | 57.3 Ų | 57.3 | 49% | 0.494 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 36.3 | 176.5 | -57.9 | -179.3 | -178.8 | -76.1 | -6.1 | 114.4 | D904 S948 F949 | D904-R925 WeakPolarHBondContact CA-O 3.35Å; D904-R925 HydrophobicContact CB-CB 4.04Å; R925-S948 PolarHBondContact N-O 2.74Å; R925-F949 VanDerWaalsContact CA-O 3.3Å; R925-F949 WeakPolarHBondContact CA-O 3.04Å; R925-F949 HydrophobicContact CB-CB 4.26Å; R925-F949 HydrophobicContact CG-CB 3.69Å; R925-F949 HydrophobicContact CG-CD2 4.11Å; R925-F949 HydrophobicContact CG-CG 4Å |
| 926 | N | 89.9 | Confident | 83.1 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -107.3 | -164.5 | 174.1 | -77.8 | -66.1 | 0 | 0 | 0 | 111 | L902 T905 G906 L907 L923 S924 I928 N950 | L902-N926 PolarHBondContact O-ND2 3.34Å; T905-N926 PolarHBondContact N-OD1 3.39Å; T905-N926 PolarHBondContact OG1-OD1 2.85Å; G906-N926 PolarHBondContact N-OD1 2.94Å; L907-N926 HydrophobicContact CB-CB 4.11Å; L907-N926 PolarHBondContact N-OD1 3.23Å; L923-N926 PolarHBondContact O-ND2 2.95Å; S924-N926 VanDerWaalsContact C-N 3.31Å; S924-N926 PolarHBondContact O-N 3.17Å; S924-N926 PolarHBondContact O-ND2 3.16Å; N926-I928 HydrophobicContact CB-CD1 4.28Å; N926-I928 HydrophobicContact CB-CG1 4.08Å; N926-N950 VanDerWaalsContact CA-OD1 3.29Å; N926-N950 WeakPolarHBondContact CA-OD1 3.23Å; N926-N950 WeakPolarHBondContact CB-OD1 3.47Å; N926-N950 PolarHBondContact N-OD1 2.86Å; N926-N950 PolarHBondContact O-OD1 3.22Å |
| 927 | H | 90.1 | Very high | 82.8 | Confident | 63 Ų | 63 | 54.4 Ų | 54.4 | 29% | 0.292 | 28% | 0.279 | S | S | . | . | trans | -113.9 | 22.9 | 179.2 | -60.6 | -29.8 | 0 | 0 | 0 | 112.3 | L907 Y908 T929 N950 | L907-H927 CarbonylContact O-C 3.11Å; L907-H927 VanDerWaalsContact O-CA 3.3Å; L907-H927 WeakPolarHBondContact O-CA 3.27Å; L907-H927 PolarHBondContact O-N 2.97Å; Y908-H927 HydrophobicContact CD1-CB 3.78Å; Y908-H927 HydrophobicContact CE1-CB 3.87Å; Y908-H927 HydrophobicContact CG-CB 4.29Å; Y908-H927 AromaticContact CZ-CD2 3.9Å; H927-T929 PolarHBondContact O-N 3Å; H927-N950 PolarHBondContact N-OD1 2.96Å | ||
| 928 | I | 90.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -68.6 | 127.8 | -174.5 | -57.6 | 174.1 | 0 | 0 | 0 | 109.5 | L907 V910 L923 N926 D930 L931 N950 R951 I952 | L907-I928 HydrophobicContact CB-CD1 4.44Å; L907-I928 HydrophobicContact CB-CG1 4.33Å; L907-I928 PolarHBondContact O-N 2.96Å; V910-I928 HydrophobicContact CG2-CD1 4.34Å; L923-I928 HydrophobicContact CB-CD1 4.04Å; L923-I928 HydrophobicContact CD1-CD1 4.07Å; L923-I928 HydrophobicContact CD2-CD1 4.29Å; L923-I928 HydrophobicContact CG-CD1 4.38Å; N926-I928 HydrophobicContact CB-CD1 4.28Å; N926-I928 HydrophobicContact CB-CG1 4.08Å; I928-D930 VanDerWaalsContact CG2-O 3.22Å; I928-D930 WeakPolarHBondContact CG2-O 3.4Å; I928-L931 HydrophobicContact CG2-CD2 3.95Å; I928-N950 HydrophobicContact CB-CB 4.42Å; I928-N950 WeakPolarHBondContact CB-OD1 3.27Å; I928-N950 PolarHBondContact N-OD1 2.94Å; I928-R951 CarbonylContact O-C 3.4Å; I928-R951 VanDerWaalsContact O-C 3.28Å; I928-R951 WeakPolarHBondContact O-CA 3.47Å; I928-R951 PolarHBondContact O-N 3.01Å; I928-I952 PolarHBondContact O-N 2.82Å | ||
| 929 | T | 86.7 | Confident | 81.9 | Confident | 77 Ų | 77 | 55.5 Ų | 55.5 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -107.1 | -31.1 | 177.3 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | H927 R951 | H927-T929 PolarHBondContact O-N 3Å; T929-R951 WeakPolarHBondContact CA-O 3.27Å; T929-R951 HydrophobicContact CG2-CB 3.71Å |
| 930 | D | 83.6 | Confident | 81.4 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | trans | -132.9 | 132.8 | 178.7 | -174.6 | 4.1 | 0 | 0 | 0 | 108.9 | I928 S932 | I928-D930 VanDerWaalsContact CG2-O 3.22Å; I928-D930 WeakPolarHBondContact CG2-O 3.4Å; D930-S932 VanDerWaalsContact C-N 3.33Å; D930-S932 VanDerWaalsContact OD1-CB 3.29Å; D930-S932 WeakPolarHBondContact OD1-CB 3.43Å; D930-S932 PolarHBondContact OD1-N 3.5Å; D930-S932 PolarHBondContact OD1-OG 3.35Å; D930-S932 WeakPolarHBondContact OD2-CB 3.48Å; D930-S932 PolarHBondContact OD2-OG 2.58Å | ||
| 931 | L | 84.4 | Confident | 81 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | trans | -91.1 | 0.5 | 177 | -67.3 | 173 | 0 | 0 | 0 | 111.9 | V910 I928 M933 V947 I952 L955 L959 | V910-L931 HydrophobicContact CG2-CD2 3.78Å; I928-L931 HydrophobicContact CG2-CD2 3.95Å; L931-M933 PolarHBondContact O-N 2.77Å; L931-V947 HydrophobicContact CD1-CG1 4.36Å; L931-V947 HydrophobicContact CD2-CG1 3.85Å; L931-I952 HydrophobicContact CD1-CD1 3.8Å; L931-I952 HydrophobicContact CD2-CD1 4.01Å; L931-I952 HydrophobicContact CG-CD1 3.82Å; L931-I952 HydrophobicContact CG-CG1 4.43Å; L931-L955 HydrophobicContact CD1-CD2 4.38Å; L931-L959 HydrophobicContact CB-CD1 3.53Å; L931-L959 HydrophobicContact CB-CD2 3.62Å; L931-L959 HydrophobicContact CB-CG 4.13Å; L931-L959 HydrophobicContact CD1-CD2 3.92Å; L931-L959 HydrophobicContact CG-CD2 4.32Å; L931-L959 VanDerWaalsContact O-CD1 3.25Å; L931-L959 WeakPolarHBondContact O-CD1 3.42Å | ||
| 932 | S | 75.4 | Confident | 80.8 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 47% | 0.469 | 29% | 0.291 | S | S | . | . | trans | -56.5 | 131.5 | -179.8 | 70.2 | 0 | 0 | 0 | 0 | 111.4 | D930 | D930-S932 VanDerWaalsContact C-N 3.33Å; D930-S932 VanDerWaalsContact OD1-CB 3.29Å; D930-S932 WeakPolarHBondContact OD1-CB 3.43Å; D930-S932 PolarHBondContact OD1-N 3.5Å; D930-S932 PolarHBondContact OD1-OG 3.35Å; D930-S932 WeakPolarHBondContact OD2-CB 3.48Å; D930-S932 PolarHBondContact OD2-OG 2.58Å | ||
| 933 | M | 69.7 | Low | 80.7 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 11% | 0.108 | 29% | 0.29 | C | S | . | . | trans | -110.3 | 155.9 | 172.7 | -65.2 | -175.8 | -74.2 | 0 | 0 | 109 | V910 L931 H935 I937 L939 F963 | V910-M933 HydrophobicContact CB-CG 4.39Å; V910-M933 HydrophobicContact CG1-CG 4.38Å; V910-M933 HydrophobicContact CG1-SD 4.09Å; L931-M933 PolarHBondContact O-N 2.77Å; M933-H935 PolarHBondContact O-N 2.96Å; M933-I937 HydrophobicContact CB-CB 4.27Å; M933-I937 HydrophobicContact SD-CG2 3.94Å; M933-L939 HydrophobicContact CE-CB 4.28Å; M933-L939 HydrophobicContact CE-CD1 3.7Å; M933-L939 HydrophobicContact CE-CG 3.75Å; M933-L939 HydrophobicContact SD-CD1 3.83Å; M933-L939 HydrophobicContact SD-CG 4.12Å; M933-F963 HydrophobicContact CE-CE1 4.08Å; M933-F963 HydrophobicContact CE-CZ 4.48Å | ||
| 934 | E | 63.4 | Low | 80.8 | Confident | 142 Ų | 142 | 58.3 Ų | 58.3 | 66% | 0.664 | 31% | 0.305 | S | S | * | . | trans | -53.9 | 138.5 | 172.5 | -69.4 | -171.6 | 163.8 | 0 | 0 | 110.2 | S936 I937 | E934-S936 PolarHBondContact O-N 3.21Å; E934-I937 HydrophobicContact CB-CD1 4.06Å; E934-I937 PolarHBondContact O-N 2.93Å | ||
| 935 | H | 52.4 | Low | 80.7 | Confident | 194 Ų | 194 | 58.1 Ų | 58.1 | 90% | 0.898 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -19.1 | -174.2 | -76 | 143.4 | 0 | 0 | 0 | 116 | M933 I937 | M933-H935 PolarHBondContact O-N 2.96Å; H935-I937 VanDerWaalsContact C-N 3.32Å |
| 936 | S | 53.7 | Low | 80.8 | Confident | 104 Ų | 104 | 53.6 Ų | 53.6 | 73% | 0.727 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -10.1 | 177.3 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | E934 | E934-S936 PolarHBondContact O-N 3.21Š|
| 937 | I | 63.5 | Low | 81.1 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | trans | -113.2 | 113.5 | -173.9 | -51.8 | 158.3 | 0 | 0 | 0 | 108.6 | N912 M933 E934 H935 | N912-I937 HydrophobicContact CB-CD1 3.96Å; N912-I937 WeakPolarHBondContact ND2-CD1 3.31Å; N912-I937 VanDerWaalsContact OD1-CD1 3.27Å; N912-I937 WeakPolarHBondContact OD1-CD1 3.37Å; M933-I937 HydrophobicContact CB-CB 4.27Å; M933-I937 HydrophobicContact SD-CG2 3.94Å; E934-I937 HydrophobicContact CB-CD1 4.06Å; E934-I937 PolarHBondContact O-N 2.93Å; H935-I937 VanDerWaalsContact C-N 3.32Å | ||
| 938 | S | 71.4 | Confident | 81.4 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 28% | 0.28 | 28% | 0.276 | S | S | . | . | trans | -128 | 123.5 | 175.4 | 173 | 0 | 0 | 0 | 0 | 109 | N940 Q962 | S938-N940 PolarHBondContact O-N 3.35Å; S938-N940 VanDerWaalsContact O-N 3.16Å; S938-N940 PolarHBondContact OG-ND2 2.79Å; S938-N940 PolarHBondContact OG-OD1 2.97Å; S938-Q962 PolarHBondContact OG-O 3.21Å | ||
| 939 | L | 81.4 | Confident | 81.7 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | trans | -88.9 | 50.2 | 179.3 | -68.6 | 176.4 | 0 | 0 | 0 | 110.7 | L918 L921 M933 K941 L942 Q962 F963 | L918-L939 HydrophobicContact CB-CD2 4.16Å; L918-L939 HydrophobicContact CD2-CD1 4.44Å; L918-L939 HydrophobicContact CD2-CD2 4.09Å; L921-L939 HydrophobicContact CD2-CD1 4.17Å; M933-L939 HydrophobicContact CE-CB 4.28Å; M933-L939 HydrophobicContact CE-CD1 3.7Å; M933-L939 HydrophobicContact CE-CG 3.75Å; M933-L939 HydrophobicContact SD-CD1 3.83Å; M933-L939 HydrophobicContact SD-CG 4.12Å; L939-K941 PolarHBondContact O-N 3.32Å; L939-L942 HydrophobicContact CB-CB 4.07Å; L939-L942 HydrophobicContact CD1-CD2 4.4Å; L939-L942 VanDerWaalsContact O-CB 3.23Å; L939-L942 WeakPolarHBondContact O-CB 3.24Å; L939-L942 PolarHBondContact O-N 3.48Å; L939-Q962 CarbonylContact C-O 2.98Å; L939-Q962 VanDerWaalsContact C-O 3.23Å; L939-Q962 PolarHBondContact N-O 3.4Å; L939-F963 HydrophobicContact CB-CD1 4.1Å; L939-F963 HydrophobicContact CB-CE1 4.25Å; L939-F963 HydrophobicContact CD1-CE1 4.19Å | ||
| 940 | N | 82 | Confident | 82 | Confident | 86 Ų | 86 | 50.6 Ų | 50.6 | 46% | 0.46 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -13.8 | -175.1 | -78.3 | -28 | 0 | 0 | 0 | 114.7 | S938 Q962 A965 | S938-N940 PolarHBondContact O-N 3.35Å; S938-N940 VanDerWaalsContact O-N 3.16Å; S938-N940 PolarHBondContact OG-ND2 2.79Å; S938-N940 PolarHBondContact OG-OD1 2.97Å; N940-Q962 PolarHBondContact N-O 3.32Å; N940-Q962 PolarHBondContact OD1-O 3.02Å; N940-A965 WeakPolarHBondContact O-CB 3.49Å; N940-A965 PolarHBondContact O-N 3.44Å |
| 941 | K | 86.8 | Confident | 82.5 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 37% | 0.365 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -3.3 | 175.5 | -63.5 | -162.4 | -171.8 | 169.6 | 0 | 113.7 | R916 L918 L939 E943 | R916-K941 WeakPolarHBondContact O-CD 3.4Å; R916-K941 WeakPolarHBondContact O-CE 3.45Å; R916-K941 PolarHBondContact O-NZ 2.93Å; R916-K941 VanDerWaalsContact O-NZ 3.16Å; L918-K941 CarbonylContact O-C 3.21Å; L939-K941 PolarHBondContact O-N 3.32Å; K941-E943 WeakPolarHBondContact O-CG 3.34Å; K941-E943 PolarHBondContact O-N 3.38Å |
| 942 | L | 90.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -67.6 | 122.6 | -178.2 | -167.3 | 73 | 0 | 0 | 0 | 110 | L918 L921 L939 L945 F963 A965 L966 | L918-L942 HydrophobicContact CD2-CD1 4.14Å; L918-L942 HydrophobicContact CG-CD1 3.99Å; L918-L942 WeakPolarHBondContact O-CA 3.17Å; L918-L942 PolarHBondContact O-N 2.8Å; L921-L942 HydrophobicContact CB-CD1 3.58Å; L921-L942 HydrophobicContact CB-CD2 4.37Å; L939-L942 HydrophobicContact CB-CB 4.07Å; L939-L942 HydrophobicContact CD1-CD2 4.4Å; L939-L942 VanDerWaalsContact O-CB 3.23Å; L939-L942 WeakPolarHBondContact O-CB 3.24Å; L939-L942 PolarHBondContact O-N 3.48Å; L942-L945 HydrophobicContact CD2-CB 3.93Å; L942-L945 HydrophobicContact CD2-CD1 4.15Å; L942-L945 HydrophobicContact CD2-CD2 4.21Å; L942-L945 HydrophobicContact CD2-CG 4.32Å; L942-F963 HydrophobicContact CD2-CD1 3.79Å; L942-F963 HydrophobicContact CD2-CE1 4.08Å; L942-A965 CarbonylContact O-C 3.56Å; L942-L966 HydrophobicContact CD2-CD1 4.22Å; L942-L966 HydrophobicContact CG-CD1 4.21Å; L942-L966 VanDerWaalsContact O-CA 3.26Å; L942-L966 WeakPolarHBondContact O-CA 3.49Å; L942-L966 PolarHBondContact O-N 3.15Å | ||
| 943 | E | 93.8 | Very high | 83.6 | Confident | 46 Ų | 46 | 54.6 Ų | 54.6 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | trans | -104.9 | -35.1 | -178.8 | -52.9 | -165.3 | 154.9 | 0 | 0 | 111.1 | R156 K919 K941 R967 S968 | R156-E943 IonicContact CZ-OE1 3.71Å; R156-E943 IonicContact NH2-OE1 2.68Å; R156-E943 PolarHBondContact NH2-OE1 3.27Å; K919-E943 HydrophobicContact CB-CG 4.38Å; K919-E943 CarbonylContact O-C 3.49Å; K919-E943 WeakPolarHBondContact O-CA 3.35Å; K919-E943 PolarHBondContact O-N 3.4Å; K941-E943 WeakPolarHBondContact O-CG 3.34Å; K941-E943 PolarHBondContact O-N 3.38Å; E943-R967 HydrophobicContact CB-CG 4.39Å; E943-R967 CarbonylContact O-C 3.37Å; E943-R967 WeakPolarHBondContact O-CA 3.37Å; E943-R967 WeakPolarHBondContact O-CB 3.13Å; E943-R967 PolarHBondContact O-N 3.19Å; E943-R967 IonicContact OE1-NE 3.19Å; E943-S968 PolarHBondContact O-N 3.35Å | ||
| 944 | T | 95.7 | Very high | 84.4 | Confident | 52 Ų | 52 | 60.1 Ų | 60.1 | 32% | 0.319 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 128.2 | 179.1 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | K919 E920 L921 S968 | K919-T944 PolarHBondContact O-N 2.99Å; E920-T944 WeakPolarHBondContact CA-O 3.49Å; L921-T944 PolarHBondContact N-O 2.75Å; T944-S968 WeakPolarHBondContact CA-O 3.47Å |
| 945 | L | 95.4 | Very high | 85.4 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 119 | 176.5 | -179.8 | 57.6 | 0 | 0 | 0 | 111.1 | L921 L923 L942 V947 F963 L966 S968 L969 N970 | L921-L945 HydrophobicContact CB-CD1 4.12Å; L921-L945 HydrophobicContact CD2-CD1 4.09Å; L921-L945 HydrophobicContact CG-CD1 4.06Å; L921-L945 WeakPolarHBondContact O-CA 3.02Å; L923-L945 HydrophobicContact CD1-CD1 4.49Å; L942-L945 HydrophobicContact CD2-CB 3.93Å; L942-L945 HydrophobicContact CD2-CD1 4.15Å; L942-L945 HydrophobicContact CD2-CD2 4.21Å; L942-L945 HydrophobicContact CD2-CG 4.32Å; L945-V947 HydrophobicContact CD1-CG1 3.68Å; L945-V947 HydrophobicContact CD2-CG1 4.16Å; L945-V947 HydrophobicContact CG-CG1 3.83Å; L945-F963 HydrophobicContact CD2-CE1 4.36Å; L945-F963 HydrophobicContact CD2-CE2 4.22Å; L945-F963 HydrophobicContact CD2-CZ 4.15Å; L945-L966 HydrophobicContact CB-CD1 3.63Å; L945-S968 PolarHBondContact N-O 2.77Å; L945-L969 HydrophobicContact CB-CD1 4.17Å; L945-L969 HydrophobicContact CD2-CD1 4.16Å; L945-L969 HydrophobicContact CG-CD1 4.18Å; L945-L969 WeakPolarHBondContact O-CA 3.31Å; L945-N970 PolarHBondContact O-N 3.02Å |
| 946 | D | 97.1 | Very high | 86.5 | Confident | 35 Ų | 35 | 47 Ų | 47 | 19% | 0.187 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 114.8 | 167.8 | -166 | -27.5 | 0 | 0 | 0 | 110 | L921 N922 L923 S924 S948 N970 | L921-D946 PolarHBondContact O-N 3.36Å; N922-D946 HydrophobicContact CB-CB 4.48Å; L923-D946 CarbonylContact C-O 3.57Å; L923-D946 WeakPolarHBondContact CA-O 3.38Å; L923-D946 PolarHBondContact N-O 3.22Å; S924-D946 PolarHBondContact N-O 3.12Å; D946-S948 WeakPolarHBondContact OD1-CB 3.11Å; D946-S948 PolarHBondContact OD1-N 3.09Å; D946-S948 PolarHBondContact OD1-OG 2.97Å; D946-N970 HydrophobicContact CB-CB 4.33Å; D946-N970 PolarHBondContact OD1-ND2 3.08Å; D946-N970 PolarHBondContact OD2-ND2 2.98Å; D946-N970 VanDerWaalsContact OD2-ND2 3.11Å |
| 947 | V | 95.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -119.9 | 20.3 | 175.2 | -67.3 | 0 | 0 | 0 | 0 | 111.2 | L923 L931 L945 N950 I952 N970 I971 N974 | L923-V947 HydrophobicContact CB-CG1 4.33Å; L923-V947 HydrophobicContact CD1-CG1 4.47Å; L931-V947 HydrophobicContact CD1-CG1 4.36Å; L931-V947 HydrophobicContact CD2-CG1 3.85Å; L945-V947 HydrophobicContact CD1-CG1 3.68Å; L945-V947 HydrophobicContact CD2-CG1 4.16Å; L945-V947 HydrophobicContact CG-CG1 3.83Å; V947-N950 WeakPolarHBondContact O-CB 3.41Å; V947-N950 PolarHBondContact O-ND2 3.01Å; V947-I952 HydrophobicContact CB-CD1 3.88Å; V947-I952 HydrophobicContact CG2-CD1 3.93Å; V947-N970 WeakPolarHBondContact CG2-O 3.37Å; V947-N970 PolarHBondContact N-O 3.08Å; V947-I971 HydrophobicContact CG2-CG2 3.99Å; V947-N974 PolarHBondContact O-ND2 3.36Å | ||
| 948 | S | 97.2 | Very high | 87.8 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | trans | -63 | 155.8 | -178.4 | 64 | 0 | 0 | 0 | 0 | 112.4 | S924 R925 D946 N950 N970 S972 | S924-S948 CarbonylContact C-O 3.59Å; S924-S948 WeakPolarHBondContact CA-O 3.42Å; S924-S948 WeakPolarHBondContact CB-O 3.4Å; S924-S948 WeakPolarHBondContact CB-OG 3.47Å; R925-S948 PolarHBondContact N-O 2.74Å; D946-S948 WeakPolarHBondContact OD1-CB 3.11Å; D946-S948 PolarHBondContact OD1-N 3.09Å; D946-S948 PolarHBondContact OD1-OG 2.97Å; S948-N950 VanDerWaalsContact C-N 3.33Å; S948-N950 PolarHBondContact O-N 3.25Å; S948-N950 PolarHBondContact O-ND2 2.95Å; S948-N970 PolarHBondContact N-O 2.72Å; S948-S972 CarbonylContact C-O 3.49Å; S948-S972 WeakPolarHBondContact CA-O 3.15Å; S948-S972 VanDerWaalsContact CB-O 3.28Å; S948-S972 WeakPolarHBondContact CB-O 3.27Å | ||
| 949 | F | 96.1 | Very high | 87.9 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 29% | 0.289 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 56.5 | 41.3 | -177.9 | -63.9 | -90.4 | 0 | 0 | 0 | 114 | R925 S972 Y973 | R925-F949 VanDerWaalsContact CA-O 3.3Å; R925-F949 WeakPolarHBondContact CA-O 3.04Å; R925-F949 HydrophobicContact CB-CB 4.26Å; R925-F949 HydrophobicContact CG-CB 3.69Å; R925-F949 HydrophobicContact CG-CD2 4.11Å; R925-F949 HydrophobicContact CG-CG 4Å; F949-S972 PolarHBondContact N-O 3.05Å; F949-Y973 AromaticContact CD1-CD1 3.99Å; F949-Y973 HydrophobicContact CD1-CD1 3.99Å; F949-Y973 HydrophobicContact CD1-CD2 4.04Å; F949-Y973 AromaticContact CD1-CG 3.68Å; F949-Y973 HydrophobicContact CD1-CG 3.68Å; F949-Y973 AromaticContact CD2-CD2 3.74Å; F949-Y973 HydrophobicContact CD2-CD2 3.74Å; F949-Y973 HydrophobicContact CD2-CE2 4.31Å; F949-Y973 HydrophobicContact CD2-CG 4.16Å; F949-Y973 AromaticContact CE1-CD1 3.48Å; F949-Y973 HydrophobicContact CE1-CD1 3.48Å; F949-Y973 VanDerWaalsContact CE1-CD1 3.48Å; F949-Y973 AromaticContact CE1-CD2 3.64Å; F949-Y973 HydrophobicContact CE1-CD2 3.64Å; F949-Y973 AromaticContact CE1-CE1 3.69Å; F949-Y973 HydrophobicContact CE1-CE1 3.69Å; F949-Y973 AromaticContact CE1-CE2 3.82Å; F949-Y973 HydrophobicContact CE1-CE2 3.82Å; F949-Y973 AromaticContact CE1-CG 3.46Å; F949-Y973 HydrophobicContact CE1-CG 3.46Å; F949-Y973 VanDerWaalsContact CE1-CG 3.46Å; F949-Y973 AromaticContact CE1-CZ 3.85Å; F949-Y973 AromaticContact CE2-CD2 3.29Å; F949-Y973 HydrophobicContact CE2-CD2 3.29Å; F949-Y973 AromaticContact CE2-CE2 3.41Å; F949-Y973 HydrophobicContact CE2-CE2 3.41Å; F949-Y973 VanDerWaalsContact CE2-CE2 3.41Å; F949-Y973 AromaticContact CE2-CG 3.96Å; F949-Y973 HydrophobicContact CE2-CG 3.96Å; F949-Y973 HydrophobicContact CG-CD2 4.09Å; F949-Y973 HydrophobicContact CG-CG 4.03Å; F949-Y973 AromaticContact CZ-CD1 3.87Å; F949-Y973 HydrophobicContact CZ-CD1 3.87Å; F949-Y973 AromaticContact CZ-CD2 3.25Å; F949-Y973 HydrophobicContact CZ-CD2 3.25Å; F949-Y973 AromaticContact CZ-CE1 3.78Å; F949-Y973 HydrophobicContact CZ-CE1 3.78Å; F949-Y973 AromaticContact CZ-CE2 3.11Å; F949-Y973 HydrophobicContact CZ-CE2 3.11Å; F949-Y973 AromaticContact CZ-CG 3.62Å; F949-Y973 HydrophobicContact CZ-CG 3.62Å; F949-Y973 AromaticContact CZ-CZ 3.4Å; F949-Y973 VanDerWaalsContact CZ-CZ 3.4Å |
| 950 | N | 93.7 | Very high | 87.7 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -111.2 | -163.2 | 171.6 | -83.8 | -76.5 | 0 | 0 | 0 | 110.8 | L923 N926 H927 I928 V947 S948 I952 N974 | L923-N950 PolarHBondContact O-ND2 2.63Å; N926-N950 VanDerWaalsContact CA-OD1 3.29Å; N926-N950 WeakPolarHBondContact CA-OD1 3.23Å; N926-N950 WeakPolarHBondContact CB-OD1 3.47Å; N926-N950 PolarHBondContact N-OD1 2.86Å; N926-N950 PolarHBondContact O-OD1 3.22Å; H927-N950 PolarHBondContact N-OD1 2.96Å; I928-N950 HydrophobicContact CB-CB 4.42Å; I928-N950 WeakPolarHBondContact CB-OD1 3.27Å; I928-N950 PolarHBondContact N-OD1 2.94Å; V947-N950 WeakPolarHBondContact O-CB 3.41Å; V947-N950 PolarHBondContact O-ND2 3.01Å; S948-N950 VanDerWaalsContact C-N 3.33Å; S948-N950 PolarHBondContact O-N 3.25Å; S948-N950 PolarHBondContact O-ND2 2.95Å; N950-I952 HydrophobicContact CB-CD1 4.19Å; N950-I952 HydrophobicContact CB-CG1 4.18Å; N950-N974 VanDerWaalsContact CA-OD1 3.3Å; N950-N974 WeakPolarHBondContact CA-OD1 3.21Å; N950-N974 WeakPolarHBondContact CB-OD1 3.38Å; N950-N974 PolarHBondContact N-OD1 3.39Å; N950-N974 PolarHBondContact O-OD1 2.96Å |
| 951 | R | 93.5 | Very high | 87.5 | Confident | 126 Ų | 126 | 51.3 Ų | 51.3 | 48% | 0.475 | 24% | 0.243 | S | C | . | . | trans | -121.1 | 34.2 | -179.1 | -60.9 | -178.6 | -177.3 | 167.6 | 4.3 | 111.6 | I928 T929 H953 N974 | I928-R951 CarbonylContact O-C 3.4Å; I928-R951 VanDerWaalsContact O-C 3.28Å; I928-R951 WeakPolarHBondContact O-CA 3.47Å; I928-R951 PolarHBondContact O-N 3.01Å; T929-R951 WeakPolarHBondContact CA-O 3.27Å; T929-R951 HydrophobicContact CG2-CB 3.71Å; R951-H953 PolarHBondContact O-CE1 2.79Å; R951-H953 PolarHBondContact O-ND1 3.01Å; R951-N974 PolarHBondContact N-OD1 2.64Å | ||
| 952 | I | 92.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | trans | -76.2 | 125.9 | -177.6 | -58.2 | 164.3 | 0 | 0 | 0 | 109.8 | I928 L931 V947 N950 E954 L955 N974 P975 L976 | I928-I952 PolarHBondContact O-N 2.82Å; L931-I952 HydrophobicContact CD1-CD1 3.8Å; L931-I952 HydrophobicContact CD2-CD1 4.01Å; L931-I952 HydrophobicContact CG-CD1 3.82Å; L931-I952 HydrophobicContact CG-CG1 4.43Å; V947-I952 HydrophobicContact CB-CD1 3.88Å; V947-I952 HydrophobicContact CG2-CD1 3.93Å; N950-I952 HydrophobicContact CB-CD1 4.19Å; N950-I952 HydrophobicContact CB-CG1 4.18Å; I952-E954 WeakPolarHBondContact CG2-O 3.32Å; I952-L955 HydrophobicContact CG2-CD2 4.38Å; I952-N974 HydrophobicContact CB-CB 4.29Å; I952-N974 WeakPolarHBondContact CB-OD1 3.49Å; I952-N974 PolarHBondContact N-OD1 3.29Å; I952-P975 CarbonylContact O-C 3.56Å; I952-P975 WeakPolarHBondContact O-CD 3.26Å; I952-P975 WeakPolarHBondContact O-CG 3.44Å; I952-L976 PolarHBondContact O-N 2.88Å | ||
| 953 | H | 89.7 | Confident | 86.7 | Confident | 113 Ų | 113 | 49.4 Ų | 49.4 | 52% | 0.523 | 24% | 0.235 | S | C | . | . | trans | -100 | -26.9 | -175.5 | -67.9 | 77.5 | 0 | 0 | 0 | 113.7 | R951 L976 G977 | R951-H953 PolarHBondContact O-CE1 2.79Å; R951-H953 PolarHBondContact O-ND1 3.01Å; H953-L976 WeakPolarHBondContact O-CA 3.08Å; H953-G977 PolarHBondContact O-N 2.89Å | ||
| 954 | E | 86.2 | Confident | 85.9 | Confident | 138 Ų | 138 | 48.7 Ų | 48.7 | 65% | 0.645 | 24% | 0.241 | S | C | * | . | trans | -147.2 | 153.1 | -179.9 | 63.2 | -175.4 | 179.8 | 0 | 0 | 111.1 | I952 T956 | I952-E954 WeakPolarHBondContact CG2-O 3.32Å; E954-T956 HydrophobicContact CG-CG2 4.2Å | ||
| 955 | L | 84 | Confident | 85.5 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | trans | -110.7 | 116.1 | 166.2 | -63.9 | 172.3 | 0 | 0 | 0 | 106 | L931 I952 L959 L960 I971 L976 L979 | L931-L955 HydrophobicContact CD1-CD2 4.38Å; I952-L955 HydrophobicContact CG2-CD2 4.38Å; L955-L959 HydrophobicContact CD2-CD2 4.39Å; L955-L960 HydrophobicContact CB-CD1 4.14Å; L955-L960 HydrophobicContact CB-CD2 4.49Å; L955-L960 HydrophobicContact CB-CG 4.42Å; L955-L960 HydrophobicContact CD2-CD2 4.47Å; L955-I971 HydrophobicContact CD1-CD1 4.44Å; L955-I971 HydrophobicContact CD1-CG2 4.4Å; L955-L976 HydrophobicContact CG-CD2 3.95Å; L955-L979 HydrophobicContact CD1-CD2 4.13Å | ||
| 956 | T | 77.4 | Confident | 85.3 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | trans | -91.7 | 154.5 | 177.6 | 60.8 | 0 | 0 | 0 | 0 | 110.8 | E954 E958 L959 L960 | E954-T956 HydrophobicContact CG-CG2 4.2Å; T956-E958 VanDerWaalsContact C-N 3.3Å; T956-E958 WeakPolarHBondContact CB-OE2 3.25Å; T956-E958 PolarHBondContact O-N 3.36Å; T956-L959 WeakPolarHBondContact O-CB 3.25Å; T956-L959 PolarHBondContact O-N 3.3Å; T956-L959 VanDerWaalsContact OG1-CB 3.27Å; T956-L959 WeakPolarHBondContact OG1-CB 3.39Å; T956-L959 PolarHBondContact OG1-N 3.49Å; T956-L960 WeakPolarHBondContact O-CG 3.31Å; T956-L960 PolarHBondContact O-N 2.94Å | ||
| 957 | I | 71.5 | Confident | 85.2 | Confident | 55 Ų | 55 | 48.4 Ų | 48.4 | 28% | 0.282 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.1 | -40.4 | -179.8 | -62.2 | 168.1 | 0 | 0 | 0 | 110 | L959 L960 Q961 T982 | I957-L959 PolarHBondContact O-N 2.99Å; I957-L960 PolarHBondContact O-N 2.74Å; I957-Q961 HydrophobicContact CG2-CG 4.24Å; I957-Q961 WeakPolarHBondContact O-CB 3.17Å; I957-Q961 VanDerWaalsContact O-CG 3.26Å; I957-Q961 WeakPolarHBondContact O-CG 3.5Å; I957-Q961 PolarHBondContact O-N 3.28Å; I957-T982 HydrophobicContact CD1-CG2 4.25Å |
| 958 | E | 72.7 | Confident | 85.3 | Confident | 132 Ų | 132 | 49.5 Ų | 49.5 | 62% | 0.617 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -59.5 | -33.7 | 178.5 | -61.6 | 78.2 | -170.3 | 0 | 0 | 111.6 | T956 Q962 | T956-E958 VanDerWaalsContact C-N 3.3Å; T956-E958 WeakPolarHBondContact CB-OE2 3.25Å; T956-E958 PolarHBondContact O-N 3.36Å; E958-Q962 WeakPolarHBondContact O-CG 3.49Å |
| 959 | L | 73.7 | Confident | 85.2 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -74.2 | -51.7 | 175.4 | 175.4 | 75.9 | 0 | 0 | 0 | 111.4 | L931 L955 T956 I957 Q961 Q962 F963 | L931-L959 HydrophobicContact CB-CD1 3.53Å; L931-L959 HydrophobicContact CB-CD2 3.62Å; L931-L959 HydrophobicContact CB-CG 4.13Å; L931-L959 HydrophobicContact CD1-CD2 3.92Å; L931-L959 HydrophobicContact CG-CD2 4.32Å; L931-L959 VanDerWaalsContact O-CD1 3.25Å; L931-L959 WeakPolarHBondContact O-CD1 3.42Å; L955-L959 HydrophobicContact CD2-CD2 4.39Å; T956-L959 WeakPolarHBondContact O-CB 3.25Å; T956-L959 PolarHBondContact O-N 3.3Å; T956-L959 VanDerWaalsContact OG1-CB 3.27Å; T956-L959 WeakPolarHBondContact OG1-CB 3.39Å; T956-L959 PolarHBondContact OG1-N 3.49Å; I957-L959 PolarHBondContact O-N 2.99Å; L959-Q961 PolarHBondContact O-N 2.83Å; L959-Q962 VanDerWaalsContact O-CB 3.24Å; L959-Q962 WeakPolarHBondContact O-CB 3.34Å; L959-Q962 WeakPolarHBondContact O-CG 3.3Å; L959-Q962 PolarHBondContact O-N 2.91Å; L959-F963 HydrophobicContact CD1-CE2 4.22Å; L959-F963 HydrophobicContact CD1-CZ 4.37Å; L959-F963 HydrophobicContact CG-CE2 4.05Å |
| 960 | L | 76.3 | Confident | 85.3 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.5 | -30.5 | -176 | -66.3 | 176.9 | 0 | 0 | 0 | 112.1 | L955 T956 I957 Q962 F963 D983 S986 L987 | L955-L960 HydrophobicContact CB-CD1 4.14Å; L955-L960 HydrophobicContact CB-CD2 4.49Å; L955-L960 HydrophobicContact CB-CG 4.42Å; L955-L960 HydrophobicContact CD2-CD2 4.47Å; T956-L960 WeakPolarHBondContact O-CG 3.31Å; T956-L960 PolarHBondContact O-N 2.94Å; I957-L960 PolarHBondContact O-N 2.74Å; L960-Q962 PolarHBondContact O-N 3.49Å; L960-F963 PolarHBondContact O-N 3.09Å; L960-F963 VanDerWaalsContact O-N 3.1Å; L960-D983 HydrophobicContact CD1-CB 4.05Å; L960-S986 VanDerWaalsContact CB-OG 3.29Å; L960-S986 WeakPolarHBondContact CB-OG 3.35Å; L960-S986 WeakPolarHBondContact CD1-OG 3.4Å; L960-L987 HydrophobicContact CD1-CG 4.41Å; L960-L987 HydrophobicContact CD2-CD2 4.13Å |
| 961 | Q | 77.5 | Confident | 85.4 | Confident | 133 Ų | 133 | 47.3 Ų | 47.3 | 62% | 0.621 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.8 | 172.3 | -76.8 | 178.6 | 0.3 | 0 | 0 | 113.7 | I957 L959 F963 | I957-Q961 HydrophobicContact CG2-CG 4.24Å; I957-Q961 WeakPolarHBondContact O-CB 3.17Å; I957-Q961 VanDerWaalsContact O-CG 3.26Å; I957-Q961 WeakPolarHBondContact O-CG 3.5Å; I957-Q961 PolarHBondContact O-N 3.28Å; L959-Q961 PolarHBondContact O-N 2.83Å; Q961-F963 VanDerWaalsContact C-N 3.28Å; Q961-F963 PolarHBondContact O-N 3.43Å |
| 962 | Q | 78.1 | Confident | 85.5 | Confident | 30 Ų | 30 | 41.3 Ų | 41.3 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -15.3 | 176.2 | -55.3 | -179.4 | 13.6 | 0 | 0 | 113.1 | S938 L939 N940 E958 L959 L960 | S938-Q962 PolarHBondContact OG-O 3.21Å; L939-Q962 CarbonylContact C-O 2.98Å; L939-Q962 VanDerWaalsContact C-O 3.23Å; L939-Q962 PolarHBondContact N-O 3.4Å; N940-Q962 PolarHBondContact N-O 3.32Å; N940-Q962 PolarHBondContact OD1-O 3.02Å; E958-Q962 WeakPolarHBondContact O-CG 3.49Å; L959-Q962 VanDerWaalsContact O-CB 3.24Å; L959-Q962 WeakPolarHBondContact O-CB 3.34Å; L959-Q962 WeakPolarHBondContact O-CG 3.3Å; L959-Q962 PolarHBondContact O-N 2.91Å; L960-Q962 PolarHBondContact O-N 3.49Å |
| 963 | F | 82 | Confident | 85.7 | Confident | 14 Ų | 14 | 45 Ų | 45 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | trans | -106.9 | 51.3 | -178.8 | -50.2 | -59.3 | 0 | 0 | 0 | 111.4 | M933 L939 L942 L945 L959 L960 Q961 A965 L966 | M933-F963 HydrophobicContact CE-CE1 4.08Å; M933-F963 HydrophobicContact CE-CZ 4.48Å; L939-F963 HydrophobicContact CB-CD1 4.1Å; L939-F963 HydrophobicContact CB-CE1 4.25Å; L939-F963 HydrophobicContact CD1-CE1 4.19Å; L942-F963 HydrophobicContact CD2-CD1 3.79Å; L942-F963 HydrophobicContact CD2-CE1 4.08Å; L945-F963 HydrophobicContact CD2-CE1 4.36Å; L945-F963 HydrophobicContact CD2-CE2 4.22Å; L945-F963 HydrophobicContact CD2-CZ 4.15Å; L959-F963 HydrophobicContact CD1-CE2 4.22Å; L959-F963 HydrophobicContact CD1-CZ 4.37Å; L959-F963 HydrophobicContact CG-CE2 4.05Å; L960-F963 PolarHBondContact O-N 3.09Å; L960-F963 VanDerWaalsContact O-N 3.1Å; Q961-F963 VanDerWaalsContact C-N 3.28Å; Q961-F963 PolarHBondContact O-N 3.43Å; F963-A965 PolarHBondContact O-N 3Å; F963-L966 HydrophobicContact CB-CB 4.09Å; F963-L966 HydrophobicContact CB-CD2 4.31Å; F963-L966 WeakPolarHBondContact O-CB 3.27Å; F963-L966 PolarHBondContact O-N 3.27Å; F963-L966 VanDerWaalsContact O-N 3.08Å | ||
| 964 | G | 77.3 | Confident | 85.8 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 33% | 0.33 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -8.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 117 | K989 | G964-K989 WeakPolarHBondContact O-CD 3.46Å; G964-K989 WeakPolarHBondContact O-CE 3.21Å; G964-K989 PolarHBondContact O-NZ 3.27Å |
| 965 | A | 87.8 | Confident | 86.1 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 7% | 0.074 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 9.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N940 L942 F963 R967 | N940-A965 WeakPolarHBondContact O-CB 3.49Å; N940-A965 PolarHBondContact O-N 3.44Å; L942-A965 CarbonylContact O-C 3.56Å; F963-A965 PolarHBondContact O-N 3Å; A965-R967 PolarHBondContact O-N 3.43Å |
| 966 | L | 92 | Very high | 86.4 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | trans | -63.6 | 127.5 | -171.6 | -158.4 | 69.4 | 0 | 0 | 0 | 112.4 | L942 L945 F963 L969 L987 K989 L990 | L942-L966 HydrophobicContact CD2-CD1 4.22Å; L942-L966 HydrophobicContact CG-CD1 4.21Å; L942-L966 VanDerWaalsContact O-CA 3.26Å; L942-L966 WeakPolarHBondContact O-CA 3.49Å; L942-L966 PolarHBondContact O-N 3.15Å; L945-L966 HydrophobicContact CB-CD1 3.63Å; F963-L966 HydrophobicContact CB-CB 4.09Å; F963-L966 HydrophobicContact CB-CD2 4.31Å; F963-L966 WeakPolarHBondContact O-CB 3.27Å; F963-L966 PolarHBondContact O-N 3.27Å; F963-L966 VanDerWaalsContact O-N 3.08Å; L966-L969 HydrophobicContact CD2-CB 3.89Å; L966-L969 HydrophobicContact CD2-CD1 4.13Å; L966-L969 HydrophobicContact CD2-CD2 4.05Å; L966-L969 HydrophobicContact CD2-CG 4.22Å; L966-L987 HydrophobicContact CD2-CD2 4.16Å; L966-K989 CarbonylContact O-C 3.43Å; L966-L990 HydrophobicContact CD2-CD1 4.35Å; L966-L990 HydrophobicContact CG-CD1 4.21Å | ||
| 967 | R | 94.1 | Very high | 86.9 | Confident | 71 Ų | 71 | 33.2 Ų | 33.2 | 27% | 0.268 | 18% | 0.175 | S | C | . | . | trans | -114.7 | -38.7 | -180 | -63.1 | -178.8 | -176.9 | -114.3 | -3.9 | 111.8 | E943 A965 L990 E991 E992 | E943-R967 HydrophobicContact CB-CG 4.39Å; E943-R967 CarbonylContact O-C 3.37Å; E943-R967 WeakPolarHBondContact O-CA 3.37Å; E943-R967 WeakPolarHBondContact O-CB 3.13Å; E943-R967 PolarHBondContact O-N 3.19Å; E943-R967 IonicContact OE1-NE 3.19Å; A965-R967 PolarHBondContact O-N 3.43Å; R967-L990 WeakPolarHBondContact O-CD1 3.16Å; R967-E991 HydrophobicContact CB-CB 4.26Å; R967-E991 HydrophobicContact CB-CG 4.43Å; R967-E991 IonicContact CZ-OE1 2.93Å; R967-E991 IonicContact NE-OE1 4Å; R967-E991 IonicContact NH1-OE1 2.99Å; R967-E991 PolarHBondContact NH1-OE1 3.03Å; R967-E991 IonicContact NH1-OE2 3.95Å; R967-E991 CarbonylContact O-C 3.53Å; R967-E991 WeakPolarHBondContact O-CA 3.03Å; R967-E991 WeakPolarHBondContact O-CB 3.43Å; R967-E991 PolarHBondContact O-N 3.17Å; R967-E992 PolarHBondContact O-N 3.28Å | ||
| 968 | S | 97.4 | Very high | 87.7 | Confident | 23 Ų | 23 | 35.2 Ų | 35.2 | 16% | 0.161 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.9 | 178.7 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | E943 T944 L945 E992 | E943-S968 PolarHBondContact O-N 3.35Å; T944-S968 WeakPolarHBondContact CA-O 3.47Å; L945-S968 PolarHBondContact N-O 2.77Å; S968-E992 WeakPolarHBondContact CA-O 3.45Å; S968-E992 PolarHBondContact OG-OE2 3.11Å |
| 969 | L | 96.4 | Very high | 88.5 | Confident | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 123.6 | -178 | 176.3 | 59.5 | 0 | 0 | 0 | 111.1 | L945 L966 I971 L987 L990 E992 F993 S994 | L945-L969 HydrophobicContact CB-CD1 4.17Å; L945-L969 HydrophobicContact CD2-CD1 4.16Å; L945-L969 HydrophobicContact CG-CD1 4.18Å; L945-L969 WeakPolarHBondContact O-CA 3.31Å; L966-L969 HydrophobicContact CD2-CB 3.89Å; L966-L969 HydrophobicContact CD2-CD1 4.13Å; L966-L969 HydrophobicContact CD2-CD2 4.05Å; L966-L969 HydrophobicContact CD2-CG 4.22Å; L969-I971 HydrophobicContact CD1-CG2 3.77Å; L969-I971 HydrophobicContact CD2-CG2 4.03Å; L969-I971 HydrophobicContact CG-CG2 3.83Å; L969-L987 HydrophobicContact CD2-CD1 3.86Å; L969-L987 HydrophobicContact CD2-CD2 4.27Å; L969-L990 HydrophobicContact CB-CD1 3.64Å; L969-L990 HydrophobicContact CB-CD2 4.26Å; L969-E992 PolarHBondContact N-O 3.25Å; L969-F993 HydrophobicContact CB-CD2 4.2Å; L969-F993 HydrophobicContact CD2-CD2 4.31Å; L969-F993 HydrophobicContact CD2-CE2 3.97Å; L969-F993 HydrophobicContact CG-CD2 4.26Å; L969-F993 HydrophobicContact CG-CE2 4.2Å; L969-F993 WeakPolarHBondContact O-CA 3.36Å; L969-F993 WeakPolarHBondContact O-CD2 3.21Å; L969-S994 PolarHBondContact O-N 3.29Å |
| 970 | N | 96.9 | Very high | 89.2 | Confident | 29 Ų | 29 | 30.1 Ų | 30.1 | 16% | 0.155 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 113.3 | 171.6 | -173.6 | 4.7 | 0 | 0 | 0 | 110.8 | L945 D946 V947 S948 S972 S994 | L945-N970 PolarHBondContact O-N 3.02Å; D946-N970 HydrophobicContact CB-CB 4.33Å; D946-N970 PolarHBondContact OD1-ND2 3.08Å; D946-N970 PolarHBondContact OD2-ND2 2.98Å; D946-N970 VanDerWaalsContact OD2-ND2 3.11Å; V947-N970 WeakPolarHBondContact CG2-O 3.37Å; V947-N970 PolarHBondContact N-O 3.08Å; S948-N970 PolarHBondContact N-O 2.72Å; N970-S972 VanDerWaalsContact OD1-CB 3.22Å; N970-S972 WeakPolarHBondContact OD1-CB 3.3Å; N970-S972 PolarHBondContact OD1-N 3.01Å; N970-S972 PolarHBondContact OD1-OG 2.98Å; N970-S994 PolarHBondContact OD1-O 3.06Å |
| 971 | I | 95.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | trans | -110.2 | 6.8 | -179.9 | 57.1 | 166.5 | 0 | 0 | 0 | 113.1 | V947 L955 L969 N974 L976 L979 F993 S994 C995 | V947-I971 HydrophobicContact CG2-CG2 3.99Å; L955-I971 HydrophobicContact CD1-CD1 4.44Å; L955-I971 HydrophobicContact CD1-CG2 4.4Å; L969-I971 HydrophobicContact CD1-CG2 3.77Å; L969-I971 HydrophobicContact CD2-CG2 4.03Å; L969-I971 HydrophobicContact CG-CG2 3.83Å; I971-N974 WeakPolarHBondContact O-CB 3.32Å; I971-N974 PolarHBondContact O-ND2 3.24Å; I971-L976 HydrophobicContact CB-CD1 4.26Å; I971-L976 HydrophobicContact CD1-CD1 3.94Å; I971-L979 HydrophobicContact CD1-CD1 4.38Å; I971-L979 HydrophobicContact CD1-CD2 4.13Å; I971-F993 HydrophobicContact CD1-CE2 3.8Å; I971-F993 HydrophobicContact CD1-CZ 3.61Å; I971-F993 HydrophobicContact CG1-CE2 3.9Å; I971-F993 HydrophobicContact CG1-CZ 4.15Å; I971-S994 WeakPolarHBondContact CG1-O 3.11Å; I971-S994 PolarHBondContact N-O 2.8Å; I971-C995 HydrophobicContact CD1-CB 4.05Å; I971-C995 HydrophobicContact CG1-CB 4.05Å | ||
| 972 | S | 96.9 | Very high | 90 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 154.9 | -170 | -58.7 | 0 | 0 | 0 | 0 | 113.6 | S948 F949 N970 N974 S994 H996 | S948-S972 CarbonylContact C-O 3.49Å; S948-S972 WeakPolarHBondContact CA-O 3.15Å; S948-S972 VanDerWaalsContact CB-O 3.28Å; S948-S972 WeakPolarHBondContact CB-O 3.27Å; F949-S972 PolarHBondContact N-O 3.05Å; N970-S972 VanDerWaalsContact OD1-CB 3.22Å; N970-S972 WeakPolarHBondContact OD1-CB 3.3Å; N970-S972 PolarHBondContact OD1-N 3.01Å; N970-S972 PolarHBondContact OD1-OG 2.98Å; S972-N974 PolarHBondContact O-N 2.94Å; S972-N974 PolarHBondContact O-ND2 2.81Å; S972-S994 PolarHBondContact OG-O 2.75Å; S972-H996 WeakPolarHBondContact CA-O 3.39Å; S972-H996 WeakPolarHBondContact CB-CE1 3.41Å; S972-H996 WeakPolarHBondContact CB-ND1 3.33Å; S972-H996 VanDerWaalsContact CB-O 3.27Å; S972-H996 WeakPolarHBondContact CB-O 3.11Å; S972-H996 PolarHBondContact OG-CD2 3.48Å; S972-H996 PolarHBondContact OG-CE1 3.02Å; S972-H996 PolarHBondContact OG-N 3.31Å; S972-H996 VanDerWaalsContact OG-N 3.12Å; S972-H996 PolarHBondContact OG-ND1 2.96Å; S972-H996 PolarHBondContact OG-NE2 2.9Å |
| 973 | Y | 95.4 | Very high | 90.4 | Very high | 81 Ų | 81 | 30.8 Ų | 30.8 | 32% | 0.318 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 28.9 | -178.4 | -58.2 | -91.1 | 0 | 0 | 0 | 115 | F949 H996 H997 | F949-Y973 AromaticContact CD1-CD1 3.99Å; F949-Y973 HydrophobicContact CD1-CD1 3.99Å; F949-Y973 HydrophobicContact CD1-CD2 4.04Å; F949-Y973 AromaticContact CD1-CG 3.68Å; F949-Y973 HydrophobicContact CD1-CG 3.68Å; F949-Y973 AromaticContact CD2-CD2 3.74Å; F949-Y973 HydrophobicContact CD2-CD2 3.74Å; F949-Y973 HydrophobicContact CD2-CE2 4.31Å; F949-Y973 HydrophobicContact CD2-CG 4.16Å; F949-Y973 AromaticContact CE1-CD1 3.48Å; F949-Y973 HydrophobicContact CE1-CD1 3.48Å; F949-Y973 VanDerWaalsContact CE1-CD1 3.48Å; F949-Y973 AromaticContact CE1-CD2 3.64Å; F949-Y973 HydrophobicContact CE1-CD2 3.64Å; F949-Y973 AromaticContact CE1-CE1 3.69Å; F949-Y973 HydrophobicContact CE1-CE1 3.69Å; F949-Y973 AromaticContact CE1-CE2 3.82Å; F949-Y973 HydrophobicContact CE1-CE2 3.82Å; F949-Y973 AromaticContact CE1-CG 3.46Å; F949-Y973 HydrophobicContact CE1-CG 3.46Å; F949-Y973 VanDerWaalsContact CE1-CG 3.46Å; F949-Y973 AromaticContact CE1-CZ 3.85Å; F949-Y973 AromaticContact CE2-CD2 3.29Å; F949-Y973 HydrophobicContact CE2-CD2 3.29Å; F949-Y973 AromaticContact CE2-CE2 3.41Å; F949-Y973 HydrophobicContact CE2-CE2 3.41Å; F949-Y973 VanDerWaalsContact CE2-CE2 3.41Å; F949-Y973 AromaticContact CE2-CG 3.96Å; F949-Y973 HydrophobicContact CE2-CG 3.96Å; F949-Y973 HydrophobicContact CG-CD2 4.09Å; F949-Y973 HydrophobicContact CG-CG 4.03Å; F949-Y973 AromaticContact CZ-CD1 3.87Å; F949-Y973 HydrophobicContact CZ-CD1 3.87Å; F949-Y973 AromaticContact CZ-CD2 3.25Å; F949-Y973 HydrophobicContact CZ-CD2 3.25Å; F949-Y973 AromaticContact CZ-CE1 3.78Å; F949-Y973 HydrophobicContact CZ-CE1 3.78Å; F949-Y973 AromaticContact CZ-CE2 3.11Å; F949-Y973 HydrophobicContact CZ-CE2 3.11Å; F949-Y973 AromaticContact CZ-CG 3.62Å; F949-Y973 HydrophobicContact CZ-CG 3.62Å; F949-Y973 AromaticContact CZ-CZ 3.4Å; F949-Y973 VanDerWaalsContact CZ-CZ 3.4Å; Y973-H996 AromaticContact CE2-CE1 3.59Å; Y973-H996 AromaticContact CE2-ND1 3.73Å; Y973-H996 PolarHBondContact N-O 3.35Å; Y973-H997 HydrophobicContact CD1-CB 3.44Å; Y973-H997 VanDerWaalsContact CD1-CB 3.44Å; Y973-H997 HydrophobicContact CD2-CB 4.2Å; Y973-H997 HydrophobicContact CE1-CB 3.29Å; Y973-H997 AromaticContact CE1-CD2 3.34Å; Y973-H997 WeakPolarHBondContact CE1-CD2 3.38Å; Y973-H997 AromaticContact CE1-CG 3.31Å; Y973-H997 HydrophobicContact CE2-CB 4.08Å; Y973-H997 AromaticContact CE2-CG 3.98Å; Y973-H997 AromaticContact CE2-ND1 3.96Å; Y973-H997 HydrophobicContact CG-CB 3.9Å; Y973-H997 AromaticContact CZ-CD2 3.47Å; Y973-H997 VanDerWaalsContact CZ-CD2 3.47Å; Y973-H997 AromaticContact CZ-CE1 3.77Å; Y973-H997 AromaticContact CZ-CG 3.28Å; Y973-H997 AromaticContact CZ-ND1 3.52Å; Y973-H997 AromaticContact CZ-NE2 3.74Å; Y973-H997 PolarHBondContact OH-CD2 2.96Å; Y973-H997 VanDerWaalsContact OH-CD2 3.24Å; Y973-H997 PolarHBondContact OH-CE1 2.89Å; Y973-H997 PolarHBondContact OH-ND1 3.32Å; Y973-H997 PolarHBondContact OH-NE2 3.15Å |
| 974 | N | 92.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | trans | -105.3 | 148.3 | 170.7 | -80.6 | -79.6 | 0 | 0 | 0 | 111.5 | V947 N950 R951 I952 I971 S972 L976 M998 | V947-N974 PolarHBondContact O-ND2 3.36Å; N950-N974 VanDerWaalsContact CA-OD1 3.3Å; N950-N974 WeakPolarHBondContact CA-OD1 3.21Å; N950-N974 WeakPolarHBondContact CB-OD1 3.38Å; N950-N974 PolarHBondContact N-OD1 3.39Å; N950-N974 PolarHBondContact O-OD1 2.96Å; R951-N974 PolarHBondContact N-OD1 2.64Å; I952-N974 HydrophobicContact CB-CB 4.29Å; I952-N974 WeakPolarHBondContact CB-OD1 3.49Å; I952-N974 PolarHBondContact N-OD1 3.29Å; I971-N974 WeakPolarHBondContact O-CB 3.32Å; I971-N974 PolarHBondContact O-ND2 3.24Å; S972-N974 PolarHBondContact O-N 2.94Å; S972-N974 PolarHBondContact O-ND2 2.81Å; N974-L976 HydrophobicContact CB-CD1 4.09Å; N974-L976 HydrophobicContact CB-CG 4.39Å; N974-L976 PolarHBondContact O-N 3.31Å; N974-M998 HydrophobicContact CB-CE 4.3Å; N974-M998 VanDerWaalsContact O-CE 3.29Å; N974-M998 WeakPolarHBondContact O-CE 3.34Å | ||
| 975 | P | 92.3 | Very high | 90.9 | Very high | 27 Ų | 27 | 31.1 Ų | 31.1 | 18% | 0.175 | 17% | 0.171 | C | C | . | . | trans | -75.8 | 35.6 | 179.8 | 33.4 | -38 | 0 | 0 | 0 | 114.3 | I952 G977 N1000 | I952-P975 CarbonylContact O-C 3.56Å; I952-P975 WeakPolarHBondContact O-CD 3.26Å; I952-P975 WeakPolarHBondContact O-CG 3.44Å; P975-G977 PolarHBondContact O-N 3.34Å; P975-N1000 HydrophobicContact CB-CB 4.46Å; P975-N1000 WeakPolarHBondContact CB-ND2 3.26Å | ||
| 976 | L | 90.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | trans | -60.2 | 127.8 | -179.1 | -82.6 | 151.9 | 0 | 0 | 0 | 111.7 | I952 H953 L955 I971 N974 M998 N1000 L1001 | I952-L976 PolarHBondContact O-N 2.88Å; H953-L976 WeakPolarHBondContact O-CA 3.08Å; L955-L976 HydrophobicContact CG-CD2 3.95Å; I971-L976 HydrophobicContact CB-CD1 4.26Å; I971-L976 HydrophobicContact CD1-CD1 3.94Å; N974-L976 HydrophobicContact CB-CD1 4.09Å; N974-L976 HydrophobicContact CB-CG 4.39Å; N974-L976 PolarHBondContact O-N 3.31Å; L976-M998 HydrophobicContact CB-CE 3.66Å; L976-M998 HydrophobicContact CD1-CE 3.49Å; L976-M998 VanDerWaalsContact CD1-CE 3.49Å; L976-M998 HydrophobicContact CG-CE 4.1Å; L976-N1000 CarbonylContact O-C 3.52Å; L976-N1000 VanDerWaalsContact O-C 3.29Å; L976-L1001 HydrophobicContact CB-CD1 4.49Å; L976-L1001 WeakPolarHBondContact O-CA 3.37Å; L976-L1001 PolarHBondContact O-N 2.79Å | ||
| 977 | G | 87.7 | Confident | 90.4 | Very high | 31 Ų | 31 | 32.9 Ų | 32.9 | 32% | 0.32 | 18% | 0.182 | S | C | . | . | trans | -79.2 | -33.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | H953 P975 K1002 | H953-G977 PolarHBondContact O-N 2.89Å; P975-G977 PolarHBondContact O-N 3.34Å; G977-K1002 PolarHBondContact O-N 2.77Å | ||
| 978 | Q | 88.7 | Confident | 90 | Very high | 98 Ų | 98 | 32.2 Ų | 32.2 | 46% | 0.458 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 157 | -179 | 62.7 | -176.6 | 5 | 0 | 0 | 112.1 | T980 R1003 | Q978-T980 HydrophobicContact CG-CG2 3.98Å; Q978-R1003 CarbonylContact C-O 3.18Å; Q978-R1003 WeakPolarHBondContact CA-O 3.24Å; Q978-R1003 HydrophobicContact CB-CB 4.04Å |
| 979 | L | 88.7 | Confident | 89.6 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 109.8 | 162.3 | -69.2 | 174 | 0 | 0 | 0 | 108 | L955 I971 F993 L1001 R1003 V1004 D1005 | L955-L979 HydrophobicContact CD1-CD2 4.13Å; I971-L979 HydrophobicContact CD1-CD1 4.38Å; I971-L979 HydrophobicContact CD1-CD2 4.13Å; L979-F993 HydrophobicContact CD1-CZ 4.37Å; L979-L1001 HydrophobicContact CG-CD1 4.23Å; L979-R1003 PolarHBondContact N-O 3.39Å; L979-V1004 HydrophobicContact CB-CG2 4.34Å; L979-V1004 HydrophobicContact CD1-CG2 4.33Å; L979-D1005 PolarHBondContact O-N 2.81Å |
| 980 | T | 88.4 | Confident | 89.5 | Confident | 28 Ų | 28 | 35.5 Ų | 35.5 | 17% | 0.172 | 20% | 0.199 | C | C | . | . | trans | -86.7 | 162.4 | -177.6 | 75 | 0 | 0 | 0 | 0 | 111.5 | Q978 T982 D983 L984 | Q978-T980 HydrophobicContact CG-CG2 3.98Å; T980-T982 PolarHBondContact O-N 3.43Å; T980-T982 PolarHBondContact OG1-OG1 3.29Å; T980-D983 WeakPolarHBondContact CA-OD2 3.41Å; T980-D983 WeakPolarHBondContact CB-OD2 3.3Å; T980-D983 WeakPolarHBondContact CG2-OD2 3.26Å; T980-D983 PolarHBondContact N-OD2 3.48Å; T980-D983 PolarHBondContact O-N 3.31Å; T980-D983 PolarHBondContact OG1-N 2.92Å; T980-D983 PolarHBondContact OG1-OD1 3.3Å; T980-D983 PolarHBondContact OG1-OD2 3Å; T980-L984 PolarHBondContact O-N 2.85Å | ||
| 981 | K | 86.5 | Confident | 89.5 | Confident | 95 Ų | 95 | 36.2 Ų | 36.2 | 41% | 0.413 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.3 | -37.3 | 175.8 | -174.6 | 171.9 | -178.7 | 171.9 | 0 | 112.2 | A985 D1005 E1007 | K981-A985 WeakPolarHBondContact O-CB 3.34Å; K981-A985 PolarHBondContact O-N 2.87Å; K981-D1005 HydrophobicContact CB-CB 4.1Å; K981-E1007 HydrophobicContact CD-CB 4.26Å; K981-E1007 IonicContact NZ-OE2 3.16Å; K981-E1007 PolarHBondContact NZ-OE2 3.23Å |
| 982 | T | 84.7 | Confident | 89.6 | Confident | 76 Ų | 76 | 40.2 Ų | 40.2 | 47% | 0.466 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70 | -37.9 | -180 | 42.7 | 0 | 0 | 0 | 0 | 112.2 | I957 T980 A985 S986 | I957-T982 HydrophobicContact CD1-CG2 4.25Å; T980-T982 PolarHBondContact O-N 3.43Å; T980-T982 PolarHBondContact OG1-OG1 3.29Å; T982-A985 PolarHBondContact O-N 2.93Å; T982-S986 PolarHBondContact O-N 3.02Å; T982-S986 VanDerWaalsContact O-N 3.1Å |
| 983 | D | 85.7 | Confident | 89.6 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -50.7 | 177.8 | -49 | -26 | 0 | 0 | 0 | 109.6 | L960 T980 S986 | L960-D983 HydrophobicContact CD1-CB 4.05Å; T980-D983 WeakPolarHBondContact CA-OD2 3.41Å; T980-D983 WeakPolarHBondContact CB-OD2 3.3Å; T980-D983 WeakPolarHBondContact CG2-OD2 3.26Å; T980-D983 PolarHBondContact N-OD2 3.48Å; T980-D983 PolarHBondContact O-N 3.31Å; T980-D983 PolarHBondContact OG1-N 2.92Å; T980-D983 PolarHBondContact OG1-OD1 3.3Å; T980-D983 PolarHBondContact OG1-OD2 3Å; D983-S986 PolarHBondContact O-N 3.37Å; D983-S986 PolarHBondContact O-OG 3.14Å |
| 984 | L | 86.8 | Confident | 89.6 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.9 | -38.4 | 179 | -65.8 | 171 | 0 | 0 | 0 | 112.5 | T980 S986 L987 F993 F1009 L1012 | T980-L984 PolarHBondContact O-N 2.85Å; L984-S986 PolarHBondContact O-N 3.38Å; L984-L987 PolarHBondContact O-N 2.91Å; L984-F993 HydrophobicContact CD2-CE1 4.17Å; L984-F993 HydrophobicContact CD2-CZ 4.44Å; L984-F1009 HydrophobicContact CD1-CD2 3.82Å; L984-F1009 HydrophobicContact CD1-CE2 3.67Å; L984-F1009 HydrophobicContact CD1-CG 4.49Å; L984-F1009 HydrophobicContact CD1-CZ 4.24Å; L984-L1012 HydrophobicContact CD2-CD1 4.35Å; L984-L1012 VanDerWaalsContact O-CD2 3.24Å; L984-L1012 WeakPolarHBondContact O-CD2 3.4Å |
| 985 | A | 83.4 | Confident | 89.7 | Confident | 51 Ų | 51 | 37.1 Ų | 37.1 | 42% | 0.421 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.7 | -31 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K981 T982 L987 | K981-A985 WeakPolarHBondContact O-CB 3.34Å; K981-A985 PolarHBondContact O-N 2.87Å; T982-A985 PolarHBondContact O-N 2.93Å; A985-L987 PolarHBondContact O-N 3.43Å |
| 986 | S | 83.1 | Confident | 89.7 | Confident | 42 Ų | 42 | 36.7 Ų | 36.7 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.3 | -23.7 | 175.5 | 77.2 | 0 | 0 | 0 | 0 | 113 | L960 T982 D983 L984 S988 | L960-S986 VanDerWaalsContact CB-OG 3.29Å; L960-S986 WeakPolarHBondContact CB-OG 3.35Å; L960-S986 WeakPolarHBondContact CD1-OG 3.4Å; T982-S986 PolarHBondContact O-N 3.02Å; T982-S986 VanDerWaalsContact O-N 3.1Å; D983-S986 PolarHBondContact O-N 3.37Å; D983-S986 PolarHBondContact O-OG 3.14Å; L984-S986 PolarHBondContact O-N 3.38Å; S986-S988 VanDerWaalsContact C-N 3.3Å; S986-S988 PolarHBondContact O-N 2.85Å |
| 987 | L | 86.4 | Confident | 89.8 | Confident | 11 Ų | 11 | 39.1 Ų | 39.1 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 27.2 | -179.6 | -64.3 | 173.1 | 0 | 0 | 0 | 113.3 | L960 L966 L969 L984 A985 K989 L990 L1012 | L960-L987 HydrophobicContact CD1-CG 4.41Å; L960-L987 HydrophobicContact CD2-CD2 4.13Å; L966-L987 HydrophobicContact CD2-CD2 4.16Å; L969-L987 HydrophobicContact CD2-CD1 3.86Å; L969-L987 HydrophobicContact CD2-CD2 4.27Å; L984-L987 PolarHBondContact O-N 2.91Å; A985-L987 PolarHBondContact O-N 3.43Å; L987-K989 PolarHBondContact O-N 3.17Å; L987-L990 HydrophobicContact CB-CB 4.33Å; L987-L990 HydrophobicContact CB-CD2 4.46Å; L987-L990 HydrophobicContact CD1-CD2 4.44Å; L987-L990 WeakPolarHBondContact O-CB 3.04Å; L987-L990 PolarHBondContact O-N 3.27Å; L987-L1012 HydrophobicContact CB-CD2 3.78Å; L987-L1012 WeakPolarHBondContact O-CD2 3.11Å |
| 988 | S | 86 | Confident | 89.9 | Confident | 56 Ų | 56 | 37.6 Ų | 37.6 | 39% | 0.392 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -18.2 | -173.3 | 60.4 | 0 | 0 | 0 | 0 | 116.6 | S986 | S986-S988 VanDerWaalsContact C-N 3.3Å; S986-S988 PolarHBondContact O-N 2.85Å |
| 989 | K | 88.7 | Confident | 89.8 | Confident | 98 Ų | 98 | 36.5 Ų | 36.5 | 43% | 0.426 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -5.3 | 177.6 | -64.4 | -178.1 | -173.2 | 172.7 | 0 | 114.1 | G964 L966 L987 | G964-K989 WeakPolarHBondContact O-CD 3.46Å; G964-K989 WeakPolarHBondContact O-CE 3.21Å; G964-K989 PolarHBondContact O-NZ 3.27Å; L966-K989 CarbonylContact O-C 3.43Å; L987-K989 PolarHBondContact O-N 3.17Å |
| 990 | L | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -65.1 | 133.8 | -175 | -157 | 73.2 | 0 | 0 | 0 | 110.9 | L966 R967 L969 L987 E992 F993 L1012 R1014 L1015 | L966-L990 HydrophobicContact CD2-CD1 4.35Å; L966-L990 HydrophobicContact CG-CD1 4.21Å; R967-L990 WeakPolarHBondContact O-CD1 3.16Å; L969-L990 HydrophobicContact CB-CD1 3.64Å; L969-L990 HydrophobicContact CB-CD2 4.26Å; L987-L990 HydrophobicContact CB-CB 4.33Å; L987-L990 HydrophobicContact CB-CD2 4.46Å; L987-L990 HydrophobicContact CD1-CD2 4.44Å; L987-L990 WeakPolarHBondContact O-CB 3.04Å; L987-L990 PolarHBondContact O-N 3.27Å; L990-E992 WeakPolarHBondContact CG-O 3.27Å; L990-F993 HydrophobicContact CD2-CB 3.56Å; L990-F993 HydrophobicContact CD2-CD2 3.62Å; L990-F993 HydrophobicContact CD2-CE2 4.49Å; L990-F993 HydrophobicContact CD2-CG 3.71Å; L990-F993 HydrophobicContact CG-CB 4.49Å; L990-L1012 HydrophobicContact CB-CD2 4.39Å; L990-R1014 CarbonylContact O-C 3.02Å; L990-L1015 HydrophobicContact CD2-CD1 4.47Å; L990-L1015 HydrophobicContact CG-CD1 4.5Å; L990-L1015 WeakPolarHBondContact O-CA 3.38Å; L990-L1015 PolarHBondContact O-N 2.67Å | ||
| 991 | E | 96.3 | Very high | 89.9 | Confident | 45 Ų | 45 | 38.7 Ų | 38.7 | 21% | 0.21 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -109.6 | -34.9 | -177.2 | -78.4 | 175.6 | -152.7 | 0 | 0 | 110.6 | R967 R1014 H1016 S1017 | R967-E991 HydrophobicContact CB-CB 4.26Å; R967-E991 HydrophobicContact CB-CG 4.43Å; R967-E991 IonicContact CZ-OE1 2.93Å; R967-E991 IonicContact NE-OE1 4Å; R967-E991 IonicContact NH1-OE1 2.99Å; R967-E991 PolarHBondContact NH1-OE1 3.03Å; R967-E991 IonicContact NH1-OE2 3.95Å; R967-E991 CarbonylContact O-C 3.53Å; R967-E991 WeakPolarHBondContact O-CA 3.03Å; R967-E991 WeakPolarHBondContact O-CB 3.43Å; R967-E991 PolarHBondContact O-N 3.17Å; E991-R1014 HydrophobicContact CG-CB 4.1Å; E991-H1016 WeakPolarHBondContact CB-NE2 3.35Å; E991-H1016 PolarHBondContact O-CD2 3.32Å; E991-H1016 PolarHBondContact O-N 3.36Å; E991-H1016 IonicContact OE2-NE2 2.64Å; E991-S1017 PolarHBondContact O-N 3.33Å |
| 992 | E | 98 | Very high | 89.9 | Confident | 84 Ų | 84 | 39.9 Ų | 39.9 | 39% | 0.393 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 132.3 | 177.9 | -50.4 | -174.3 | 161.7 | 0 | 0 | 111.1 | R967 S968 L969 L990 H1016 S1017 | R967-E992 PolarHBondContact O-N 3.28Å; S968-E992 WeakPolarHBondContact CA-O 3.45Å; S968-E992 PolarHBondContact OG-OE2 3.11Å; L969-E992 PolarHBondContact N-O 3.25Å; L990-E992 WeakPolarHBondContact CG-O 3.27Å; E992-H1016 IonicContact OE1-CE1 2.82Å; E992-S1017 WeakPolarHBondContact CA-O 3.48Å |
| 993 | F | 96.9 | Very high | 90 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 124 | -179.4 | -170.4 | -135.9 | 0 | 0 | 0 | 112.5 | L969 I971 L979 L984 L990 C995 F1009 L1015 S1017 L1018 E1019 | L969-F993 HydrophobicContact CB-CD2 4.2Å; L969-F993 HydrophobicContact CD2-CD2 4.31Å; L969-F993 HydrophobicContact CD2-CE2 3.97Å; L969-F993 HydrophobicContact CG-CD2 4.26Å; L969-F993 HydrophobicContact CG-CE2 4.2Å; L969-F993 WeakPolarHBondContact O-CA 3.36Å; L969-F993 WeakPolarHBondContact O-CD2 3.21Å; I971-F993 HydrophobicContact CD1-CE2 3.8Å; I971-F993 HydrophobicContact CD1-CZ 3.61Å; I971-F993 HydrophobicContact CG1-CE2 3.9Å; I971-F993 HydrophobicContact CG1-CZ 4.15Å; L979-F993 HydrophobicContact CD1-CZ 4.37Å; L984-F993 HydrophobicContact CD2-CE1 4.17Å; L984-F993 HydrophobicContact CD2-CZ 4.44Å; L990-F993 HydrophobicContact CD2-CB 3.56Å; L990-F993 HydrophobicContact CD2-CD2 3.62Å; L990-F993 HydrophobicContact CD2-CE2 4.49Å; L990-F993 HydrophobicContact CD2-CG 3.71Å; L990-F993 HydrophobicContact CG-CB 4.49Å; F993-C995 HydrophobicContact CE1-CB 3.94Å; F993-C995 HydrophobicContact CZ-CB 3.96Å; F993-F1009 HydrophobicContact CD1-CE1 4.35Å; F993-F1009 HydrophobicContact CE1-CE1 4.48Å; F993-L1015 HydrophobicContact CB-CD1 3.72Å; F993-S1017 PolarHBondContact N-O 2.85Å; F993-L1018 HydrophobicContact CB-CD1 4.17Å; F993-L1018 HydrophobicContact CD1-CD1 3.82Å; F993-L1018 HydrophobicContact CG-CD1 4.45Å; F993-L1018 WeakPolarHBondContact O-CA 3.41Å; F993-E1019 PolarHBondContact O-N 3.28Å |
| 994 | S | 96.7 | Very high | 90.1 | Very high | 19 Ų | 19 | 43 Ų | 43 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.9 | 175.3 | -60.7 | 0 | 0 | 0 | 0 | 111 | L969 N970 I971 S972 E1019 | L969-S994 PolarHBondContact O-N 3.29Å; N970-S994 PolarHBondContact OD1-O 3.06Å; I971-S994 WeakPolarHBondContact CG1-O 3.11Å; I971-S994 PolarHBondContact N-O 2.8Å; S972-S994 PolarHBondContact OG-O 2.75Å; S994-E1019 PolarHBondContact OG-OE2 3.41Å |
| 995 | C | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -138.6 | 79.5 | -178.9 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | I971 F993 E1019 I1020 | I971-C995 HydrophobicContact CD1-CB 4.05Å; I971-C995 HydrophobicContact CG1-CB 4.05Å; F993-C995 HydrophobicContact CE1-CB 3.94Å; F993-C995 HydrophobicContact CZ-CB 3.96Å; C995-E1019 PolarHBondContact N-O 3.24Å; C995-I1020 WeakPolarHBondContact O-CA 3.42Å | ||
| 996 | H | 93.7 | Very high | 90.4 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | trans | -132.5 | 164.2 | -179.3 | 61.4 | 62.4 | 0 | 0 | 0 | 113.7 | S972 Y973 M998 Y1021 | S972-H996 WeakPolarHBondContact CA-O 3.39Å; S972-H996 WeakPolarHBondContact CB-CE1 3.41Å; S972-H996 WeakPolarHBondContact CB-ND1 3.33Å; S972-H996 VanDerWaalsContact CB-O 3.27Å; S972-H996 WeakPolarHBondContact CB-O 3.11Å; S972-H996 PolarHBondContact OG-CD2 3.48Å; S972-H996 PolarHBondContact OG-CE1 3.02Å; S972-H996 PolarHBondContact OG-N 3.31Å; S972-H996 VanDerWaalsContact OG-N 3.12Å; S972-H996 PolarHBondContact OG-ND1 2.96Å; S972-H996 PolarHBondContact OG-NE2 2.9Å; Y973-H996 AromaticContact CE2-CE1 3.59Å; Y973-H996 AromaticContact CE2-ND1 3.73Å; Y973-H996 PolarHBondContact N-O 3.35Å; H996-M998 VanDerWaalsContact C-N 3.32Å; H996-Y1021 CarbonylContact C-O 3.51Å; H996-Y1021 WeakPolarHBondContact CA-O 3.38Å; H996-Y1021 HydrophobicContact CB-CD1 3.68Å; H996-Y1021 HydrophobicContact CB-CD2 4.21Å; H996-Y1021 HydrophobicContact CB-CE1 3.54Å; H996-Y1021 HydrophobicContact CB-CE2 4.09Å; H996-Y1021 HydrophobicContact CB-CG 4.01Å; H996-Y1021 WeakPolarHBondContact CB-O 3.47Å; H996-Y1021 AromaticContact CD2-CE1 3.43Å; H996-Y1021 VanDerWaalsContact CD2-CE1 3.43Å; H996-Y1021 WeakPolarHBondContact CD2-CE1 3.43Å; H996-Y1021 AromaticContact CD2-CZ 3.69Å; H996-Y1021 AromaticContact CG-CE1 3.59Å; H996-Y1021 AromaticContact CG-CZ 3.59Å | ||
| 997 | H | 92.5 | Very high | 90.7 | Very high | 52 Ų | 52 | 46.7 Ų | 46.7 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | trans | 56.9 | 46.1 | -175.2 | -60.7 | 73.6 | 0 | 0 | 0 | 112.3 | Y973 S999 Y1021 D1022 | Y973-H997 HydrophobicContact CD1-CB 3.44Å; Y973-H997 VanDerWaalsContact CD1-CB 3.44Å; Y973-H997 HydrophobicContact CD2-CB 4.2Å; Y973-H997 HydrophobicContact CE1-CB 3.29Å; Y973-H997 AromaticContact CE1-CD2 3.34Å; Y973-H997 WeakPolarHBondContact CE1-CD2 3.38Å; Y973-H997 AromaticContact CE1-CG 3.31Å; Y973-H997 HydrophobicContact CE2-CB 4.08Å; Y973-H997 AromaticContact CE2-CG 3.98Å; Y973-H997 AromaticContact CE2-ND1 3.96Å; Y973-H997 HydrophobicContact CG-CB 3.9Å; Y973-H997 AromaticContact CZ-CD2 3.47Å; Y973-H997 VanDerWaalsContact CZ-CD2 3.47Å; Y973-H997 AromaticContact CZ-CE1 3.77Å; Y973-H997 AromaticContact CZ-CG 3.28Å; Y973-H997 AromaticContact CZ-ND1 3.52Å; Y973-H997 AromaticContact CZ-NE2 3.74Å; Y973-H997 PolarHBondContact OH-CD2 2.96Å; Y973-H997 VanDerWaalsContact OH-CD2 3.24Å; Y973-H997 PolarHBondContact OH-CE1 2.89Å; Y973-H997 PolarHBondContact OH-ND1 3.32Å; Y973-H997 PolarHBondContact OH-NE2 3.15Å; H997-S999 PolarHBondContact O-N 3.34Å; H997-Y1021 AromaticContact CE1-CE2 3.56Å; H997-Y1021 PolarHBondContact N-O 3.27Å; H997-Y1021 VanDerWaalsContact N-O 3.13Å; H997-Y1021 AromaticContact ND1-CE2 3.91Å; H997-D1022 CarbonylContact C-O 3.26Å; H997-D1022 WeakPolarHBondContact CA-O 3.38Å; H997-D1022 IonicContact CD2-OD2 3.01Å; H997-D1022 PolarHBondContact CD2-OD2 3Å; H997-D1022 IonicContact CG-OD2 2.67Å; H997-D1022 VanDerWaalsContact CG-OD2 3.27Å; H997-D1022 PolarHBondContact N-O 3.03Å; H997-D1022 VanDerWaalsContact N-O 3.13Å; H997-D1022 IonicContact NE2-OD2 3.33Å | ||
| 998 | M | 90.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -103.5 | 65.3 | -171.5 | -58.5 | -58.4 | -75.6 | 0 | 0 | 110.5 | N974 L976 H996 N1000 L1001 D1022 | N974-M998 HydrophobicContact CB-CE 4.3Å; N974-M998 VanDerWaalsContact O-CE 3.29Å; N974-M998 WeakPolarHBondContact O-CE 3.34Å; L976-M998 HydrophobicContact CB-CE 3.66Å; L976-M998 HydrophobicContact CD1-CE 3.49Å; L976-M998 VanDerWaalsContact CD1-CE 3.49Å; L976-M998 HydrophobicContact CG-CE 4.1Å; H996-M998 VanDerWaalsContact C-N 3.32Å; M998-N1000 VanDerWaalsContact C-N 3.25Å; M998-N1000 PolarHBondContact O-N 3.02Å; M998-N1000 VanDerWaalsContact O-N 3.15Å; M998-L1001 HydrophobicContact CB-CB 3.83Å; M998-L1001 HydrophobicContact CB-CD2 3.96Å; M998-L1001 HydrophobicContact CG-CD2 4.47Å; M998-L1001 VanDerWaalsContact O-CB 3.23Å; M998-L1001 WeakPolarHBondContact O-CB 3.48Å; M998-L1001 PolarHBondContact O-N 2.98Å; M998-D1022 PolarHBondContact N-O 3.12Å | ||
| 999 | S | 85.3 | Confident | 91.1 | Very high | 74 Ų | 74 | 43.6 Ų | 43.6 | 52% | 0.517 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.6 | -169.9 | 58.4 | 0 | 0 | 0 | 0 | 115 | H997 N1025 | H997-S999 PolarHBondContact O-N 3.34Å; S999-N1025 PolarHBondContact O-ND2 3.05Å |
| 1000 | N | 89.8 | Confident | 91.1 | Very high | 76 Ų | 76 | 46.5 Ų | 46.5 | 41% | 0.406 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -5.9 | 179.1 | -73.6 | -22.5 | 0 | 0 | 0 | 114.3 | P975 L976 M998 K1002 | P975-N1000 HydrophobicContact CB-CB 4.46Å; P975-N1000 WeakPolarHBondContact CB-ND2 3.26Å; L976-N1000 CarbonylContact O-C 3.52Å; L976-N1000 VanDerWaalsContact O-C 3.29Å; M998-N1000 VanDerWaalsContact C-N 3.25Å; M998-N1000 PolarHBondContact O-N 3.02Å; M998-N1000 VanDerWaalsContact O-N 3.15Å; N1000-K1002 PolarHBondContact O-N 3.04Å |
| 1001 | L | 88.9 | Confident | 90.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -70.3 | 116.1 | -177 | -166.1 | 64.4 | 0 | 0 | 0 | 110 | L976 L979 M998 V1004 V1023 L1026 | L976-L1001 HydrophobicContact CB-CD1 4.49Å; L976-L1001 WeakPolarHBondContact O-CA 3.37Å; L976-L1001 PolarHBondContact O-N 2.79Å; L979-L1001 HydrophobicContact CG-CD1 4.23Å; M998-L1001 HydrophobicContact CB-CB 3.83Å; M998-L1001 HydrophobicContact CB-CD2 3.96Å; M998-L1001 HydrophobicContact CG-CD2 4.47Å; M998-L1001 VanDerWaalsContact O-CB 3.23Å; M998-L1001 WeakPolarHBondContact O-CB 3.48Å; M998-L1001 PolarHBondContact O-N 2.98Å; L1001-V1004 HydrophobicContact CD1-CG2 4.29Å; L1001-V1004 HydrophobicContact CD2-CG2 3.5Å; L1001-V1004 VanDerWaalsContact CD2-CG2 3.5Å; L1001-V1004 HydrophobicContact CG-CG2 3.92Å; L1001-V1023 HydrophobicContact CD2-CG1 4.38Å; L1001-L1026 HydrophobicContact CD2-CD2 4.23Å; L1001-L1026 PolarHBondContact O-N 2.63Å; L1001-L1026 VanDerWaalsContact O-N 3.17Å | ||
| 1002 | K | 87.1 | Confident | 90.5 | Very high | 121 Ų | 121 | 45.5 Ų | 45.5 | 53% | 0.526 | 22% | 0.223 | S | C | . | . | trans | -104.9 | -22.8 | -176.8 | -69.5 | 171.9 | -172.5 | 172.3 | 0 | 113 | G977 N1000 | G977-K1002 PolarHBondContact O-N 2.77Å; N1000-K1002 PolarHBondContact O-N 3.04Å | ||
| 1003 | R | 86.5 | Confident | 90 | Very high | 143 Ų | 143 | 48.8 Ų | 48.8 | 54% | 0.54 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 133.7 | -175.8 | -177.5 | 177.3 | 177 | 168.8 | -1.2 | 110.6 | Q978 L979 D1005 | Q978-R1003 CarbonylContact C-O 3.18Å; Q978-R1003 WeakPolarHBondContact CA-O 3.24Å; Q978-R1003 HydrophobicContact CB-CB 4.04Å; L979-R1003 PolarHBondContact N-O 3.39Å; R1003-D1005 IonicContact NH2-OD2 3.75Å |
| 1004 | V | 88.8 | Confident | 89.6 | Confident | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.2 | 167.7 | 173.1 | 0 | 0 | 0 | 0 | 106.9 | L979 L1001 K1006 F1009 L1026 I1035 | L979-V1004 HydrophobicContact CB-CG2 4.34Å; L979-V1004 HydrophobicContact CD1-CG2 4.33Å; L1001-V1004 HydrophobicContact CD1-CG2 4.29Å; L1001-V1004 HydrophobicContact CD2-CG2 3.5Å; L1001-V1004 VanDerWaalsContact CD2-CG2 3.5Å; L1001-V1004 HydrophobicContact CG-CG2 3.92Å; V1004-K1006 PolarHBondContact O-N 3.32Å; V1004-F1009 HydrophobicContact CG1-CE2 3.73Å; V1004-F1009 HydrophobicContact CG1-CZ 4.42Å; V1004-L1026 HydrophobicContact CB-CD1 4.3Å; V1004-L1026 HydrophobicContact CB-CD2 3.93Å; V1004-L1026 HydrophobicContact CG2-CD1 4.18Å; V1004-L1026 HydrophobicContact CG2-CD2 3.39Å; V1004-L1026 HydrophobicContact CG2-CG 4.45Å; V1004-I1035 HydrophobicContact CG1-CD1 4.03Å |
| 1005 | D | 89.2 | Confident | 89.5 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | trans | -81.6 | 106.5 | 176.8 | -158.4 | -53 | 0 | 0 | 0 | 110.4 | L979 K981 R1003 E1007 G1008 | L979-D1005 PolarHBondContact O-N 2.81Å; K981-D1005 HydrophobicContact CB-CB 4.1Å; R1003-D1005 IonicContact NH2-OD2 3.75Å; D1005-E1007 VanDerWaalsContact C-N 3.29Å; D1005-E1007 PolarHBondContact O-N 3.17Å; D1005-E1007 PolarHBondContact OD1-N 3.02Å; D1005-G1008 PolarHBondContact O-N 3.47Å; D1005-G1008 VanDerWaalsContact O-N 3.17Å | ||
| 1006 | K | 87.9 | Confident | 89.6 | Confident | 44 Ų | 44 | 54.2 Ų | 54.2 | 19% | 0.191 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -61 | -37.9 | -175.5 | -56.1 | 176.6 | -179.8 | 167.6 | 0 | 112 | V1004 G1008 F1009 T1030 N1031 D1034 I1035 Y1038 | V1004-K1006 PolarHBondContact O-N 3.32Å; K1006-G1008 PolarHBondContact O-N 3.01Å; K1006-F1009 PolarHBondContact O-N 2.74Å; K1006-T1030 VanDerWaalsContact NZ-CG2 3.29Å; K1006-N1031 WeakPolarHBondContact CE-O 3.39Å; K1006-N1031 PolarHBondContact NZ-O 2.88Å; K1006-D1034 HydrophobicContact CD-CB 3.74Å; K1006-D1034 IonicContact NZ-OD2 3.12Å; K1006-D1034 PolarHBondContact NZ-OD2 3.02Å; K1006-I1035 HydrophobicContact CB-CG1 4.18Å; K1006-I1035 HydrophobicContact CG-CG1 3.84Å; K1006-Y1038 HydrophobicContact CB-CD2 3.9Å; K1006-Y1038 HydrophobicContact CB-CE2 3.99Å; K1006-Y1038 WeakPolarHBondContact O-CB 3.29Å |
| 1007 | E | 88.7 | Confident | 89.8 | Confident | 95 Ų | 95 | 54.1 Ų | 54.1 | 44% | 0.444 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -66.2 | -21.6 | -178.9 | -63.7 | -170.2 | 174.1 | 0 | 0 | 112.8 | K981 D1005 F1009 K1010 Y1038 | K981-E1007 HydrophobicContact CD-CB 4.26Å; K981-E1007 IonicContact NZ-OE2 3.16Å; K981-E1007 PolarHBondContact NZ-OE2 3.23Å; D1005-E1007 VanDerWaalsContact C-N 3.29Å; D1005-E1007 PolarHBondContact O-N 3.17Å; D1005-E1007 PolarHBondContact OD1-N 3.02Å; E1007-F1009 PolarHBondContact O-N 3.48Å; E1007-K1010 WeakPolarHBondContact O-CB 3.31Å; E1007-K1010 PolarHBondContact O-N 2.87Å; E1007-Y1038 HydrophobicContact CB-CD1 4.44Å; E1007-Y1038 HydrophobicContact CB-CE1 4.35Å; E1007-Y1038 HydrophobicContact CG-CD1 4.32Å; E1007-Y1038 HydrophobicContact CG-CE1 3.76Å |
| 1008 | G | 89.5 | Confident | 90 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -61 | -31.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1005 K1006 K1010 G1011 | D1005-G1008 PolarHBondContact O-N 3.47Å; D1005-G1008 VanDerWaalsContact O-N 3.17Å; K1006-G1008 PolarHBondContact O-N 3.01Å; G1008-K1010 PolarHBondContact O-N 2.95Å; G1008-G1011 PolarHBondContact O-N 3.18Å |
| 1009 | F | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -65.3 | -25.4 | 179.6 | -75.1 | -91.6 | 0 | 0 | 0 | 113.2 | L984 F993 V1004 K1006 E1007 G1011 L1012 L1018 I1020 I1035 Y1038 L1039 | L984-F1009 HydrophobicContact CD1-CD2 3.82Å; L984-F1009 HydrophobicContact CD1-CE2 3.67Å; L984-F1009 HydrophobicContact CD1-CG 4.49Å; L984-F1009 HydrophobicContact CD1-CZ 4.24Å; F993-F1009 HydrophobicContact CD1-CE1 4.35Å; F993-F1009 HydrophobicContact CE1-CE1 4.48Å; V1004-F1009 HydrophobicContact CG1-CE2 3.73Å; V1004-F1009 HydrophobicContact CG1-CZ 4.42Å; K1006-F1009 PolarHBondContact O-N 2.74Å; E1007-F1009 PolarHBondContact O-N 3.48Å; F1009-G1011 PolarHBondContact O-N 3.1Å; F1009-G1011 VanDerWaalsContact O-N 3.13Å; F1009-L1012 HydrophobicContact CD1-CD1 3.81Å; F1009-L1012 HydrophobicContact CE1-CD1 4.22Å; F1009-L1012 WeakPolarHBondContact O-CB 3.47Å; F1009-L1012 PolarHBondContact O-N 3.1Å; F1009-L1018 HydrophobicContact CD1-CD2 4.44Å; F1009-L1018 HydrophobicContact CE1-CD1 4.09Å; F1009-L1018 HydrophobicContact CE1-CD2 4.14Å; F1009-I1020 HydrophobicContact CZ-CD1 4.2Å; F1009-I1035 HydrophobicContact CB-CG2 4.19Å; F1009-I1035 HydrophobicContact CD1-CG2 4.02Å; F1009-I1035 HydrophobicContact CD2-CD1 4.29Å; F1009-I1035 HydrophobicContact CD2-CG1 4.36Å; F1009-I1035 HydrophobicContact CD2-CG2 3.66Å; F1009-I1035 HydrophobicContact CE1-CG2 4.34Å; F1009-I1035 HydrophobicContact CE2-CD1 3.73Å; F1009-I1035 HydrophobicContact CE2-CG1 4.28Å; F1009-I1035 HydrophobicContact CE2-CG2 4.01Å; F1009-I1035 HydrophobicContact CG-CG2 3.67Å; F1009-I1035 HydrophobicContact CZ-CD1 4.15Å; F1009-I1035 HydrophobicContact CZ-CG2 4.33Å; F1009-Y1038 CarbonylContact C-O 3.56Å; F1009-L1039 HydrophobicContact CB-CD2 4.13Å; F1009-L1039 HydrophobicContact CD1-CD2 3.72Å; F1009-L1039 HydrophobicContact CG-CD2 4.18Å |
| 1010 | K | 88.3 | Confident | 90.7 | Very high | 158 Ų | 158 | 49.9 Ų | 49.9 | 69% | 0.687 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -60 | -25 | 174.1 | -170.2 | 174 | -178.5 | 172.1 | 0 | 112.4 | E1007 G1008 Y1038 | E1007-K1010 WeakPolarHBondContact O-CB 3.31Å; E1007-K1010 PolarHBondContact O-N 2.87Å; G1008-K1010 PolarHBondContact O-N 2.95Å; K1010-Y1038 WeakPolarHBondContact CA-O 3.15Å; K1010-Y1038 PolarHBondContact N-O 2.88Å |
| 1011 | G | 86.4 | Confident | 90.8 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 25% | 0.247 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -75 | -23.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G1008 F1009 K1013 | G1008-G1011 PolarHBondContact O-N 3.18Å; F1009-G1011 PolarHBondContact O-N 3.1Å; F1009-G1011 VanDerWaalsContact O-N 3.13Å; G1011-K1013 PolarHBondContact O-N 3.45Å |
| 1012 | L | 91.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -82 | 54.9 | -175.4 | -56.9 | -178.4 | 0 | 0 | 0 | 111.7 | L984 L987 L990 F1009 R1014 L1015 P1040 | L984-L1012 HydrophobicContact CD2-CD1 4.35Å; L984-L1012 VanDerWaalsContact O-CD2 3.24Å; L984-L1012 WeakPolarHBondContact O-CD2 3.4Å; L987-L1012 HydrophobicContact CB-CD2 3.78Å; L987-L1012 WeakPolarHBondContact O-CD2 3.11Å; L990-L1012 HydrophobicContact CB-CD2 4.39Å; F1009-L1012 HydrophobicContact CD1-CD1 3.81Å; F1009-L1012 HydrophobicContact CE1-CD1 4.22Å; F1009-L1012 WeakPolarHBondContact O-CB 3.47Å; F1009-L1012 PolarHBondContact O-N 3.1Å; L1012-R1014 PolarHBondContact O-N 2.95Å; L1012-L1015 HydrophobicContact CB-CB 4.04Å; L1012-L1015 HydrophobicContact CB-CD2 4.45Å; L1012-L1015 HydrophobicContact CD1-CD2 4.05Å; L1012-L1015 WeakPolarHBondContact O-CB 3.25Å; L1012-L1015 PolarHBondContact O-N 2.82Å; L1012-P1040 WeakPolarHBondContact O-CG 3.43Å | ||
| 1013 | K | 86.4 | Confident | 90.6 | Very high | 154 Ų | 154 | 44.4 Ų | 44.4 | 67% | 0.67 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -17.3 | -168.9 | -63.5 | -179.4 | -178.5 | 179 | 0 | 115.3 | G1011 | G1011-K1013 PolarHBondContact O-N 3.45Š|
| 1014 | R | 89.8 | Confident | 90.1 | Very high | 90 Ų | 90 | 39 Ų | 39 | 34% | 0.34 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -4.1 | -179.3 | -61.6 | -168.6 | -177.9 | 179 | -0.2 | 114 | L182 L990 E991 L1012 H1016 | L182-R1014 VanDerWaalsContact CD2-NH2 3.29Å; L990-R1014 CarbonylContact O-C 3.02Å; E991-R1014 HydrophobicContact CG-CB 4.1Å; L1012-R1014 PolarHBondContact O-N 2.95Å; R1014-H1016 PolarHBondContact O-N 3.38Å |
| 1015 | L | 95 | Very high | 89.3 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | trans | -62.8 | 125.7 | -176.3 | -165.8 | 73.9 | 0 | 0 | 0 | 109.4 | L990 F993 L1012 S1017 L1018 L1039 P1040 L1042 | L990-L1015 HydrophobicContact CD2-CD1 4.47Å; L990-L1015 HydrophobicContact CG-CD1 4.5Å; L990-L1015 WeakPolarHBondContact O-CA 3.38Å; L990-L1015 PolarHBondContact O-N 2.67Å; F993-L1015 HydrophobicContact CB-CD1 3.72Å; L1012-L1015 HydrophobicContact CB-CB 4.04Å; L1012-L1015 HydrophobicContact CB-CD2 4.45Å; L1012-L1015 HydrophobicContact CD1-CD2 4.05Å; L1012-L1015 WeakPolarHBondContact O-CB 3.25Å; L1012-L1015 PolarHBondContact O-N 2.82Å; L1015-S1017 WeakPolarHBondContact CD1-O 3.37Å; L1015-L1018 HydrophobicContact CD2-CB 4.07Å; L1015-L1018 HydrophobicContact CD2-CD1 4.32Å; L1015-L1018 HydrophobicContact CD2-CD2 4.34Å; L1015-L1018 HydrophobicContact CD2-CG 4.48Å; L1015-L1039 HydrophobicContact CD2-CD2 4.45Å; L1015-P1040 HydrophobicContact CB-CG 3.79Å; L1015-P1040 VanDerWaalsContact O-CG 3.29Å; L1015-P1040 WeakPolarHBondContact O-CG 3.31Å; L1015-L1042 HydrophobicContact CB-CD2 4.35Å; L1015-L1042 HydrophobicContact CD2-CD2 4.22Å; L1015-L1042 HydrophobicContact CG-CD2 4.05Å; L1015-L1042 WeakPolarHBondContact O-CD2 3.07Å | ||
| 1016 | H | 94.4 | Very high | 88.7 | Confident | 41 Ų | 41 | 40 Ų | 40 | 19% | 0.19 | 20% | 0.198 | C | C | . | . | trans | -122.9 | -14.2 | 173.8 | 65.7 | 77.4 | 0 | 0 | 0 | 112.1 | E991 E992 R1014 L1042 R1043 M1044 | E991-H1016 WeakPolarHBondContact CB-NE2 3.35Å; E991-H1016 PolarHBondContact O-CD2 3.32Å; E991-H1016 PolarHBondContact O-N 3.36Å; E991-H1016 IonicContact OE2-NE2 2.64Å; E992-H1016 IonicContact OE1-CE1 2.82Å; R1014-H1016 PolarHBondContact O-N 3.38Å; H1016-L1042 CarbonylContact O-C 3.1Å; H1016-R1043 HydrophobicContact CB-CB 4.48Å; H1016-R1043 HydrophobicContact CB-CG 4.36Å; H1016-R1043 WeakPolarHBondContact O-CA 3.44Å; H1016-R1043 PolarHBondContact O-N 3.17Å; H1016-M1044 PolarHBondContact O-N 3.05Å | ||
| 1017 | S | 98 | Very high | 87.8 | Confident | 17 Ų | 17 | 39.7 Ų | 39.7 | 12% | 0.119 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 123.4 | 177.4 | -172.9 | 0 | 0 | 0 | 0 | 110.7 | E991 E992 F993 L1015 M1044 | E991-S1017 PolarHBondContact O-N 3.33Å; E992-S1017 WeakPolarHBondContact CA-O 3.48Å; F993-S1017 PolarHBondContact N-O 2.85Å; L1015-S1017 WeakPolarHBondContact CD1-O 3.37Å; S1017-M1044 WeakPolarHBondContact CA-O 3.35Å; S1017-M1044 WeakPolarHBondContact OG-CE 3.28Å |
| 1018 | L | 97.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 127.3 | 179.5 | 177.3 | 60.7 | 0 | 0 | 0 | 111.7 | F993 F1009 L1015 I1020 L1039 L1042 M1044 L1045 R1046 | F993-L1018 HydrophobicContact CB-CD1 4.17Å; F993-L1018 HydrophobicContact CD1-CD1 3.82Å; F993-L1018 HydrophobicContact CG-CD1 4.45Å; F993-L1018 WeakPolarHBondContact O-CA 3.41Å; F1009-L1018 HydrophobicContact CD1-CD2 4.44Å; F1009-L1018 HydrophobicContact CE1-CD1 4.09Å; F1009-L1018 HydrophobicContact CE1-CD2 4.14Å; L1015-L1018 HydrophobicContact CD2-CB 4.07Å; L1015-L1018 HydrophobicContact CD2-CD1 4.32Å; L1015-L1018 HydrophobicContact CD2-CD2 4.34Å; L1015-L1018 HydrophobicContact CD2-CG 4.48Å; L1018-I1020 HydrophobicContact CD1-CB 4.47Å; L1018-I1020 HydrophobicContact CD2-CG2 4.24Å; L1018-I1020 HydrophobicContact CG-CG2 4.23Å; L1018-L1039 HydrophobicContact CD2-CD1 3.94Å; L1018-L1039 HydrophobicContact CD2-CD2 3.47Å; L1018-L1039 VanDerWaalsContact CD2-CD2 3.47Å; L1018-L1039 HydrophobicContact CD2-CG 4.38Å; L1018-L1042 HydrophobicContact CB-CD1 3.93Å; L1018-M1044 PolarHBondContact N-O 2.76Å; L1018-L1045 HydrophobicContact CB-CD1 4.1Å; L1018-L1045 HydrophobicContact CD2-CD1 4.01Å; L1018-L1045 HydrophobicContact CG-CD1 4.14Å; L1018-L1045 CarbonylContact O-C 3.34Å; L1018-L1045 WeakPolarHBondContact O-CA 3.47Å; L1018-R1046 PolarHBondContact O-N 3.31Å |
| 1019 | E | 97.2 | Very high | 85.9 | Confident | 37 Ų | 37 | 54.1 Ų | 54.1 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 117.6 | 167 | -56.1 | -170.8 | 96.2 | 0 | 0 | 111.3 | F993 S994 C995 Y1021 M1044 R1046 | F993-E1019 PolarHBondContact O-N 3.28Å; S994-E1019 PolarHBondContact OG-OE2 3.41Å; C995-E1019 PolarHBondContact N-O 3.24Å; E1019-Y1021 HydrophobicContact CB-CD1 4.44Å; E1019-Y1021 HydrophobicContact CB-CE1 4.26Å; E1019-M1044 HydrophobicContact CG-CE 3.42Å; E1019-M1044 VanDerWaalsContact CG-CE 3.42Å; E1019-M1044 HydrophobicContact CG-SD 4.26Å; E1019-R1046 CarbonylContact C-O 3.5Å; E1019-R1046 WeakPolarHBondContact CA-O 3.39Å; E1019-R1046 HydrophobicContact CB-CB 4.2Å; E1019-R1046 HydrophobicContact CG-CB 3.92Å; E1019-R1046 VanDerWaalsContact OE1-CD 3.27Å; E1019-R1046 WeakPolarHBondContact OE1-CD 3.3Å; E1019-R1046 IonicContact OE1-NH1 2.97Å; E1019-R1046 PolarHBondContact OE1-NH1 3.11Å |
| 1020 | I | 92.9 | Very high | 85 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 89.5 | 178.2 | -168.9 | 159.2 | 0 | 0 | 0 | 111.9 | C995 F1009 L1018 V1023 I1032 I1035 R1046 M1047 Q1048 | C995-I1020 WeakPolarHBondContact O-CA 3.42Å; F1009-I1020 HydrophobicContact CZ-CD1 4.2Å; L1018-I1020 HydrophobicContact CD1-CB 4.47Å; L1018-I1020 HydrophobicContact CD2-CG2 4.24Å; L1018-I1020 HydrophobicContact CG-CG2 4.23Å; I1020-V1023 HydrophobicContact CG1-CG1 3.97Å; I1020-I1032 HydrophobicContact CD1-CD1 3.74Å; I1020-I1032 HydrophobicContact CD1-CG1 4.3Å; I1020-I1032 HydrophobicContact CG1-CD1 4.08Å; I1020-I1032 HydrophobicContact CG1-CG1 4.19Å; I1020-I1035 HydrophobicContact CD1-CD1 3.97Å; I1020-R1046 PolarHBondContact N-O 2.88Å; I1020-M1047 HydrophobicContact CG2-CB 4.49Å; I1020-M1047 HydrophobicContact CG2-CE 3.83Å; I1020-M1047 HydrophobicContact CG2-CG 4.48Å; I1020-M1047 WeakPolarHBondContact O-CA 3.32Å; I1020-Q1048 PolarHBondContact O-N 3.09Å |
| 1021 | Y | 91 | Very high | 84.6 | Confident | 17 Ų | 17 | 51.4 Ų | 51.4 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | trans | -147.6 | 164.1 | -177 | 68.4 | -85.2 | 0 | 0 | 0 | 111.5 | H996 H997 E1019 V1023 R1046 | H996-Y1021 CarbonylContact C-O 3.51Å; H996-Y1021 WeakPolarHBondContact CA-O 3.38Å; H996-Y1021 HydrophobicContact CB-CD1 3.68Å; H996-Y1021 HydrophobicContact CB-CD2 4.21Å; H996-Y1021 HydrophobicContact CB-CE1 3.54Å; H996-Y1021 HydrophobicContact CB-CE2 4.09Å; H996-Y1021 HydrophobicContact CB-CG 4.01Å; H996-Y1021 WeakPolarHBondContact CB-O 3.47Å; H996-Y1021 AromaticContact CD2-CE1 3.43Å; H996-Y1021 VanDerWaalsContact CD2-CE1 3.43Å; H996-Y1021 WeakPolarHBondContact CD2-CE1 3.43Å; H996-Y1021 AromaticContact CD2-CZ 3.69Å; H996-Y1021 AromaticContact CG-CE1 3.59Å; H996-Y1021 AromaticContact CG-CZ 3.59Å; H997-Y1021 AromaticContact CE1-CE2 3.56Å; H997-Y1021 PolarHBondContact N-O 3.27Å; H997-Y1021 VanDerWaalsContact N-O 3.13Å; H997-Y1021 AromaticContact ND1-CE2 3.91Å; E1019-Y1021 HydrophobicContact CB-CD1 4.44Å; E1019-Y1021 HydrophobicContact CB-CE1 4.26Å; Y1021-V1023 VanDerWaalsContact C-N 3.35Å; Y1021-V1023 PolarHBondContact O-N 3.24Å; Y1021-R1046 HydrophobicContact CD1-CG 3.75Å; Y1021-R1046 HydrophobicContact CE1-CG 4.01Å; Y1021-R1046 VanDerWaalsContact CE1-CZ 3.48Å; Y1021-R1046 VanDerWaalsContact CZ-NH1 3.32Å; Y1021-R1046 VanDerWaalsContact OH-CZ 3.29Å; Y1021-R1046 PolarHBondContact OH-NH1 2.82Å; Y1021-R1046 PolarHBondContact OH-NH2 3Å | ||
| 1022 | D | 87.5 | Confident | 84.3 | Confident | 64 Ų | 64 | 50.4 Ų | 50.4 | 34% | 0.342 | 23% | 0.233 | S | C | . | . | trans | 51.2 | 51.9 | -171.8 | -168.7 | 26.1 | 0 | 0 | 0 | 112.8 | H997 M998 G1024 | H997-D1022 CarbonylContact C-O 3.26Å; H997-D1022 WeakPolarHBondContact CA-O 3.38Å; H997-D1022 IonicContact CD2-OD2 3.01Å; H997-D1022 PolarHBondContact CD2-OD2 3Å; H997-D1022 IonicContact CG-OD2 2.67Å; H997-D1022 VanDerWaalsContact CG-OD2 3.27Å; H997-D1022 PolarHBondContact N-O 3.03Å; H997-D1022 VanDerWaalsContact N-O 3.13Å; H997-D1022 IonicContact NE2-OD2 3.33Å; M998-D1022 PolarHBondContact N-O 3.12Å; D1022-G1024 VanDerWaalsContact C-N 3.27Å; D1022-G1024 PolarHBondContact O-N 2.98Å | ||
| 1023 | V | 83.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -92.8 | 19.9 | -178 | -67.5 | 0 | 0 | 0 | 0 | 112.9 | L1001 I1020 Y1021 N1025 L1026 V1027 I1032 | L1001-V1023 HydrophobicContact CD2-CG1 4.38Å; I1020-V1023 HydrophobicContact CG1-CG1 3.97Å; Y1021-V1023 VanDerWaalsContact C-N 3.35Å; Y1021-V1023 PolarHBondContact O-N 3.24Å; V1023-N1025 PolarHBondContact O-N 2.93Å; V1023-L1026 HydrophobicContact CB-CB 4.23Å; V1023-L1026 HydrophobicContact CB-CD2 4.03Å; V1023-L1026 HydrophobicContact CG2-CB 4.14Å; V1023-L1026 HydrophobicContact CG2-CD2 3.89Å; V1023-L1026 HydrophobicContact CG2-CG 4.48Å; V1023-L1026 VanDerWaalsContact O-CB 3.3Å; V1023-L1026 WeakPolarHBondContact O-CB 3.42Å; V1023-L1026 PolarHBondContact O-N 3.24Å; V1023-L1026 VanDerWaalsContact O-N 3.15Å; V1023-V1027 HydrophobicContact CG2-CG2 3.82Å; V1023-I1032 HydrophobicContact CG2-CD1 4.5Å | ||
| 1024 | G | 76 | Confident | 84 | Confident | 30 Ų | 30 | 46.2 Ų | 46.2 | 31% | 0.309 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | 49.8 | -114.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D1022 L1026 V1027 | D1022-G1024 VanDerWaalsContact C-N 3.27Å; D1022-G1024 PolarHBondContact O-N 2.98Å; G1024-L1026 PolarHBondContact O-N 3.33Å; G1024-V1027 WeakPolarHBondContact O-CB 2.97Å; G1024-V1027 PolarHBondContact O-N 2.84Å |
| 1025 | N | 72.4 | Confident | 84 | Confident | 65 Ų | 65 | 42 Ų | 42 | 35% | 0.348 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -65.5 | -24 | -173.9 | -75.5 | -52.9 | 0 | 0 | 0 | 114 | S999 V1023 V1027 R1028 | S999-N1025 PolarHBondContact O-ND2 3.05Å; V1023-N1025 PolarHBondContact O-N 2.93Å; N1025-V1027 VanDerWaalsContact C-N 3.25Å; N1025-V1027 PolarHBondContact O-N 3.19Å; N1025-R1028 PolarHBondContact O-N 2.88Å |
| 1026 | L | 77.5 | Confident | 83.7 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -59.2 | -39.8 | 179.7 | -174.9 | 67.6 | 0 | 0 | 0 | 111.7 | L1001 V1004 V1023 G1024 R1028 R1029 T1030 I1032 | L1001-L1026 HydrophobicContact CD2-CD2 4.23Å; L1001-L1026 PolarHBondContact O-N 2.63Å; L1001-L1026 VanDerWaalsContact O-N 3.17Å; V1004-L1026 HydrophobicContact CB-CD1 4.3Å; V1004-L1026 HydrophobicContact CB-CD2 3.93Å; V1004-L1026 HydrophobicContact CG2-CD1 4.18Å; V1004-L1026 HydrophobicContact CG2-CD2 3.39Å; V1004-L1026 HydrophobicContact CG2-CG 4.45Å; V1023-L1026 HydrophobicContact CB-CB 4.23Å; V1023-L1026 HydrophobicContact CB-CD2 4.03Å; V1023-L1026 HydrophobicContact CG2-CB 4.14Å; V1023-L1026 HydrophobicContact CG2-CD2 3.89Å; V1023-L1026 HydrophobicContact CG2-CG 4.48Å; V1023-L1026 VanDerWaalsContact O-CB 3.3Å; V1023-L1026 WeakPolarHBondContact O-CB 3.42Å; V1023-L1026 PolarHBondContact O-N 3.24Å; V1023-L1026 VanDerWaalsContact O-N 3.15Å; G1024-L1026 PolarHBondContact O-N 3.33Å; L1026-R1028 PolarHBondContact O-N 3.27Å; L1026-R1028 VanDerWaalsContact O-N 3.13Å; L1026-R1029 PolarHBondContact O-N 3.21Å; L1026-T1030 PolarHBondContact O-N 3.27Å; L1026-I1032 HydrophobicContact CD2-CD1 3.65Å |
| 1027 | V | 68 | Low | 83.5 | Confident | 36 Ų | 36 | 46.1 Ų | 46.1 | 22% | 0.218 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -56.4 | -29.6 | 179 | 173.3 | 0 | 0 | 0 | 0 | 112.5 | V1023 G1024 N1025 R1029 V1050 | V1023-V1027 HydrophobicContact CG2-CG2 3.82Å; G1024-V1027 WeakPolarHBondContact O-CB 2.97Å; G1024-V1027 PolarHBondContact O-N 2.84Å; N1025-V1027 VanDerWaalsContact C-N 3.25Å; N1025-V1027 PolarHBondContact O-N 3.19Å; V1027-R1029 VanDerWaalsContact C-N 3.29Å; V1027-R1029 PolarHBondContact O-N 3.4Å; V1027-V1050 HydrophobicContact CB-CG2 4.15Å; V1027-V1050 HydrophobicContact CG1-CB 4.07Å; V1027-V1050 HydrophobicContact CG1-CG1 3.48Å; V1027-V1050 VanDerWaalsContact CG1-CG1 3.48Å; V1027-V1050 HydrophobicContact CG1-CG2 3.48Å; V1027-V1050 VanDerWaalsContact CG1-CG2 3.48Å; V1027-V1050 HydrophobicContact CG2-CG2 4.03Å |
| 1028 | R | 68.9 | Low | 83.2 | Confident | 214 Ų | 214 | 48.1 Ų | 48.1 | 81% | 0.808 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -77.3 | -14.4 | -179.8 | -63.1 | -176.2 | 179.5 | -173 | 0.7 | 113.7 | N1025 L1026 | N1025-R1028 PolarHBondContact O-N 2.88Å; L1026-R1028 PolarHBondContact O-N 3.27Å; L1026-R1028 VanDerWaalsContact O-N 3.13Å |
| 1029 | R | 69.4 | Low | 83 | Confident | 186 Ų | 186 | 49.1 Ų | 49.1 | 70% | 0.702 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.8 | -27 | -171.6 | -65.3 | -176.4 | 176.2 | -166.6 | -3.8 | 113.1 | L1026 V1027 | L1026-R1029 PolarHBondContact O-N 3.21Å; V1027-R1029 VanDerWaalsContact C-N 3.29Å; V1027-R1029 PolarHBondContact O-N 3.4Å |
| 1030 | T | 73.7 | Confident | 82.6 | Confident | 41 Ų | 41 | 48.3 Ų | 48.3 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -146.6 | 136.4 | -169 | -47.2 | 0 | 0 | 0 | 0 | 109.8 | K1006 L1026 I1032 | K1006-T1030 VanDerWaalsContact NZ-CG2 3.29Å; L1026-T1030 PolarHBondContact O-N 3.27Å; T1030-I1032 PolarHBondContact O-N 3.02Å |
| 1031 | N | 78.7 | Confident | 82.4 | Confident | 60 Ų | 60 | 50.4 Ų | 50.4 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | trans | -73.2 | 115.7 | 167 | -61.1 | -16.8 | 0 | 0 | 0 | 108.1 | K1006 E1033 D1034 | K1006-N1031 WeakPolarHBondContact CE-O 3.39Å; K1006-N1031 PolarHBondContact NZ-O 2.88Å; N1031-E1033 VanDerWaalsContact C-N 3.27Å; N1031-E1033 HydrophobicContact CB-CG 4.11Å; N1031-D1034 PolarHBondContact O-N 3.06Å | ||
| 1032 | I | 81.5 | Confident | 82.5 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -70.3 | -29.4 | -178.9 | -169.3 | 71.2 | 0 | 0 | 0 | 111.3 | I1020 V1023 L1026 T1030 D1034 I1035 M1047 Q1048 V1050 | I1020-I1032 HydrophobicContact CD1-CD1 3.74Å; I1020-I1032 HydrophobicContact CD1-CG1 4.3Å; I1020-I1032 HydrophobicContact CG1-CD1 4.08Å; I1020-I1032 HydrophobicContact CG1-CG1 4.19Å; V1023-I1032 HydrophobicContact CG2-CD1 4.5Å; L1026-I1032 HydrophobicContact CD2-CD1 3.65Å; T1030-I1032 PolarHBondContact O-N 3.02Å; I1032-D1034 PolarHBondContact O-N 2.95Å; I1032-I1035 HydrophobicContact CD1-CD1 3.33Å; I1032-I1035 HydrophobicContact CD1-CG1 4.4Å; I1032-I1035 HydrophobicContact CG1-CD1 3.99Å; I1032-I1035 WeakPolarHBondContact O-CB 3.1Å; I1032-I1035 WeakPolarHBondContact O-CG1 3.18Å; I1032-I1035 PolarHBondContact O-N 3.04Å; I1032-M1047 HydrophobicContact CG2-CG 4.43Å; I1032-Q1048 WeakPolarHBondContact CG2-O 3.23Å; I1032-V1050 HydrophobicContact CG2-CG2 4.12Å |
| 1033 | E | 83.2 | Confident | 82.8 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.009 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -59.1 | -24.9 | 176.6 | 54.9 | -114.8 | -123.4 | 0 | 0 | 114 | N1031 I1035 V1036 M1047 I1049 V1050 N1051 Q1057 | N1031-E1033 VanDerWaalsContact C-N 3.27Å; N1031-E1033 HydrophobicContact CB-CG 4.11Å; E1033-I1035 PolarHBondContact O-N 3.46Å; E1033-V1036 VanDerWaalsContact O-CB 3.24Å; E1033-V1036 WeakPolarHBondContact O-CB 3.2Å; E1033-V1036 WeakPolarHBondContact O-CG2 3.32Å; E1033-V1036 PolarHBondContact O-N 3.29Å; E1033-M1047 HydrophobicContact CB-SD 4.17Å; E1033-I1049 HydrophobicContact CB-CD1 4.22Å; E1033-V1050 PolarHBondContact OE2-N 3.13Å; E1033-N1051 VanDerWaalsContact OE1-CB 3.24Å; E1033-N1051 WeakPolarHBondContact OE1-CB 3.34Å; E1033-N1051 PolarHBondContact OE1-N 3.46Å; E1033-N1051 PolarHBondContact OE1-ND2 3.02Å; E1033-N1051 PolarHBondContact OE1-OD1 2.87Å; E1033-Q1057 HydrophobicContact CG-CG 4.35Å |
| 1034 | D | 87.1 | Confident | 83.4 | Confident | 65 Ų | 65 | 55.1 Ų | 55.1 | 35% | 0.348 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -65.8 | -10.3 | 175.8 | -58.3 | -11.1 | 0 | 0 | 0 | 113.1 | K1006 N1031 I1032 V1036 | K1006-D1034 HydrophobicContact CD-CB 3.74Å; K1006-D1034 IonicContact NZ-OD2 3.12Å; K1006-D1034 PolarHBondContact NZ-OD2 3.02Å; N1031-D1034 PolarHBondContact O-N 3.06Å; I1032-D1034 PolarHBondContact O-N 2.95Å; D1034-V1036 PolarHBondContact O-N 2.84Å |
| 1035 | I | 89.5 | Confident | 84.4 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -62.9 | -27.3 | 171.3 | -69 | 172.3 | 0 | 0 | 0 | 110.8 | V1004 K1006 F1009 I1020 I1032 E1033 E1037 Y1038 L1039 | V1004-I1035 HydrophobicContact CG1-CD1 4.03Å; K1006-I1035 HydrophobicContact CB-CG1 4.18Å; K1006-I1035 HydrophobicContact CG-CG1 3.84Å; F1009-I1035 HydrophobicContact CB-CG2 4.19Å; F1009-I1035 HydrophobicContact CD1-CG2 4.02Å; F1009-I1035 HydrophobicContact CD2-CD1 4.29Å; F1009-I1035 HydrophobicContact CD2-CG1 4.36Å; F1009-I1035 HydrophobicContact CD2-CG2 3.66Å; F1009-I1035 HydrophobicContact CE1-CG2 4.34Å; F1009-I1035 HydrophobicContact CE2-CD1 3.73Å; F1009-I1035 HydrophobicContact CE2-CG1 4.28Å; F1009-I1035 HydrophobicContact CE2-CG2 4.01Å; F1009-I1035 HydrophobicContact CG-CG2 3.67Å; F1009-I1035 HydrophobicContact CZ-CD1 4.15Å; F1009-I1035 HydrophobicContact CZ-CG2 4.33Å; I1020-I1035 HydrophobicContact CD1-CD1 3.97Å; I1032-I1035 HydrophobicContact CD1-CD1 3.33Å; I1032-I1035 HydrophobicContact CD1-CG1 4.4Å; I1032-I1035 HydrophobicContact CG1-CD1 3.99Å; I1032-I1035 WeakPolarHBondContact O-CB 3.1Å; I1032-I1035 WeakPolarHBondContact O-CG1 3.18Å; I1032-I1035 PolarHBondContact O-N 3.04Å; E1033-I1035 PolarHBondContact O-N 3.46Å; I1035-E1037 PolarHBondContact O-N 2.58Å; I1035-E1037 VanDerWaalsContact O-N 3.13Å; I1035-Y1038 WeakPolarHBondContact O-CA 3.26Å; I1035-Y1038 PolarHBondContact O-N 3.22Å; I1035-L1039 HydrophobicContact CG2-CD1 4.3Å; I1035-L1039 HydrophobicContact CG2-CD2 3.75Å; I1035-L1039 HydrophobicContact CG2-CG 3.91Å; I1035-L1039 PolarHBondContact O-N 3.29Å |
| 1036 | V | 90.4 | Very high | 85.6 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -51.9 | -38 | -177.1 | 168.2 | 0 | 0 | 0 | 0 | 112.8 | E1033 D1034 Y1038 L1039 M1047 F1058 L1061 | E1033-V1036 VanDerWaalsContact O-CB 3.24Å; E1033-V1036 WeakPolarHBondContact O-CB 3.2Å; E1033-V1036 WeakPolarHBondContact O-CG2 3.32Å; E1033-V1036 PolarHBondContact O-N 3.29Å; D1034-V1036 PolarHBondContact O-N 2.84Å; V1036-Y1038 PolarHBondContact O-N 2.93Å; V1036-Y1038 VanDerWaalsContact O-N 3.17Å; V1036-L1039 HydrophobicContact CG2-CD1 4.42Å; V1036-L1039 PolarHBondContact O-N 2.87Å; V1036-M1047 HydrophobicContact CG2-CE 4.31Å; V1036-M1047 HydrophobicContact CG2-SD 4.31Å; V1036-F1058 HydrophobicContact CG1-CD1 4.32Å; V1036-F1058 HydrophobicContact CG2-CD1 3.93Å; V1036-F1058 HydrophobicContact CG2-CE1 3.82Å; V1036-L1061 HydrophobicContact CG1-CB 3.56Å; V1036-L1061 HydrophobicContact CG1-CD1 4Å; V1036-L1061 HydrophobicContact CG1-CG 4.34Å |
| 1037 | E | 89.4 | Confident | 86.3 | Confident | 126 Ų | 126 | 53 Ų | 53 | 59% | 0.589 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -60.6 | -24.3 | 177.6 | -171.5 | -173.5 | 178 | 0 | 0 | 113 | I1035 | I1035-E1037 PolarHBondContact O-N 2.58Å; I1035-E1037 VanDerWaalsContact O-N 3.13Å |
| 1038 | Y | 91.4 | Very high | 87.4 | Confident | 60 Ų | 60 | 52.5 Ų | 52.5 | 24% | 0.235 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -104.9 | -2.9 | -175.4 | -56.2 | -87.7 | 0 | 0 | 0 | 113.2 | K1006 E1007 F1009 K1010 I1035 V1036 | K1006-Y1038 HydrophobicContact CB-CD2 3.9Å; K1006-Y1038 HydrophobicContact CB-CE2 3.99Å; K1006-Y1038 WeakPolarHBondContact O-CB 3.29Å; E1007-Y1038 HydrophobicContact CB-CD1 4.44Å; E1007-Y1038 HydrophobicContact CB-CE1 4.35Å; E1007-Y1038 HydrophobicContact CG-CD1 4.32Å; E1007-Y1038 HydrophobicContact CG-CE1 3.76Å; F1009-Y1038 CarbonylContact C-O 3.56Å; K1010-Y1038 WeakPolarHBondContact CA-O 3.15Å; K1010-Y1038 PolarHBondContact N-O 2.88Å; I1035-Y1038 WeakPolarHBondContact O-CA 3.26Å; I1035-Y1038 PolarHBondContact O-N 3.22Å; V1036-Y1038 PolarHBondContact O-N 2.93Å; V1036-Y1038 VanDerWaalsContact O-N 3.17Å |
| 1039 | L | 92.6 | Very high | 88.3 | Confident | 20 Ų | 20 | 42.4 Ų | 42.4 | 11% | 0.105 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -79.7 | 140.7 | -177.1 | -67.1 | 174.7 | 0 | 0 | 0 | 111.7 | F1009 L1015 L1018 I1035 V1036 L1042 L1045 | F1009-L1039 HydrophobicContact CB-CD2 4.13Å; F1009-L1039 HydrophobicContact CD1-CD2 3.72Å; F1009-L1039 HydrophobicContact CG-CD2 4.18Å; L1015-L1039 HydrophobicContact CD2-CD2 4.45Å; L1018-L1039 HydrophobicContact CD2-CD1 3.94Å; L1018-L1039 HydrophobicContact CD2-CD2 3.47Å; L1018-L1039 VanDerWaalsContact CD2-CD2 3.47Å; L1018-L1039 HydrophobicContact CD2-CG 4.38Å; I1035-L1039 HydrophobicContact CG2-CD1 4.3Å; I1035-L1039 HydrophobicContact CG2-CD2 3.75Å; I1035-L1039 HydrophobicContact CG2-CG 3.91Å; I1035-L1039 PolarHBondContact O-N 3.29Å; V1036-L1039 HydrophobicContact CG2-CD1 4.42Å; V1036-L1039 PolarHBondContact O-N 2.87Å; L1039-L1042 HydrophobicContact CD1-CD1 3.95Å; L1039-L1045 HydrophobicContact CD1-CD1 4.37Å |
| 1040 | P | 89.4 | Confident | 89 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 13% | 0.13 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 168.9 | 161.5 | 35.8 | -40.3 | 0 | 0 | 0 | 110.1 | L1012 L1015 L1042 | L1012-P1040 WeakPolarHBondContact O-CG 3.43Å; L1015-P1040 HydrophobicContact CB-CG 3.79Å; L1015-P1040 VanDerWaalsContact O-CG 3.29Å; L1015-P1040 WeakPolarHBondContact O-CG 3.31Å; P1040-L1042 HydrophobicContact CG-CD2 4.36Å; P1040-L1042 PolarHBondContact O-N 3.31Å |
| 1041 | P | 88.2 | Confident | 89.5 | Confident | 45 Ų | 45 | 35.8 Ų | 35.8 | 29% | 0.292 | 17% | 0.172 | S | C | . | . | P | Polyproline II helix | trans | -64.1 | 122.4 | 175.3 | 27.7 | -36 | 0 | 0 | 0 | 111.7 | D1062 Y1065 | P1041-D1062 HydrophobicContact CB-CB 3.9Å; P1041-Y1065 HydrophobicContact CB-CD2 3.89Å; P1041-Y1065 HydrophobicContact CB-CE2 4.34Å; P1041-Y1065 HydrophobicContact CG-CD2 4.25Å; P1041-Y1065 HydrophobicContact CG-CE2 4.35Å |
| 1042 | L | 94.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -97.8 | 156.7 | -176.7 | -60.1 | 179.4 | 0 | 0 | 0 | 112.3 | L1015 H1016 L1018 L1039 P1040 L1045 Y1065 L1066 | L1015-L1042 HydrophobicContact CB-CD2 4.35Å; L1015-L1042 HydrophobicContact CD2-CD2 4.22Å; L1015-L1042 HydrophobicContact CG-CD2 4.05Å; L1015-L1042 WeakPolarHBondContact O-CD2 3.07Å; H1016-L1042 CarbonylContact O-C 3.1Å; L1018-L1042 HydrophobicContact CB-CD1 3.93Å; L1039-L1042 HydrophobicContact CD1-CD1 3.95Å; P1040-L1042 HydrophobicContact CG-CD2 4.36Å; P1040-L1042 PolarHBondContact O-N 3.31Å; L1042-L1045 HydrophobicContact CD1-CB 3.9Å; L1042-L1045 HydrophobicContact CD1-CD1 3.86Å; L1042-L1045 HydrophobicContact CD1-CD2 4.47Å; L1042-L1045 HydrophobicContact CD1-CG 4.28Å; L1042-Y1065 CarbonylContact O-C 3.39Å; L1042-L1066 HydrophobicContact CB-CD1 3.96Å; L1042-L1066 WeakPolarHBondContact O-CA 3.43Å; L1042-L1066 PolarHBondContact O-N 3.21Å |
| 1043 | R | 93.2 | Very high | 90.4 | Very high | 144 Ų | 144 | 42.8 Ų | 42.8 | 54% | 0.543 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -92.4 | -36.3 | 161.9 | -72.1 | -179.9 | 174.9 | 154.5 | -1 | 112.1 | H1016 Y1065 R1067 Y1068 | H1016-R1043 HydrophobicContact CB-CB 4.48Å; H1016-R1043 HydrophobicContact CB-CG 4.36Å; H1016-R1043 WeakPolarHBondContact O-CA 3.44Å; H1016-R1043 PolarHBondContact O-N 3.17Å; R1043-Y1065 WeakPolarHBondContact CA-O 3.06Å; R1043-R1067 PolarHBondContact O-N 3.31Å; R1043-Y1068 PolarHBondContact O-N 3.06Å; R1043-Y1068 VanDerWaalsContact O-N 3.16Å |
| 1044 | M | 97.4 | Very high | 90.7 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 17% | 0.172 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 130.3 | 179.4 | -170.2 | -77.8 | -79.5 | 0 | 0 | 110.4 | H1016 S1017 L1018 E1019 R1046 Y1068 | H1016-M1044 PolarHBondContact O-N 3.05Å; S1017-M1044 WeakPolarHBondContact CA-O 3.35Å; S1017-M1044 WeakPolarHBondContact OG-CE 3.28Å; L1018-M1044 PolarHBondContact N-O 2.76Å; E1019-M1044 HydrophobicContact CG-CE 3.42Å; E1019-M1044 VanDerWaalsContact CG-CE 3.42Å; E1019-M1044 HydrophobicContact CG-SD 4.26Å; M1044-R1046 HydrophobicContact SD-CB 4.11Å; M1044-Y1068 WeakPolarHBondContact CA-O 3.25Å; M1044-Y1068 HydrophobicContact CG-CD1 3.57Å; M1044-Y1068 HydrophobicContact CG-CE1 4.44Å; M1044-Y1068 HydrophobicContact CG-CG 4.05Å; M1044-Y1068 HydrophobicContact SD-CD1 4.06Å |
| 1045 | L | 97.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 122.8 | 170.9 | 177.9 | 59.6 | 0 | 0 | 0 | 110.1 | L1018 L1039 L1042 M1047 F1058 L1061 L1066 Y1068 L1069 Y1070 | L1018-L1045 HydrophobicContact CB-CD1 4.1Å; L1018-L1045 HydrophobicContact CD2-CD1 4.01Å; L1018-L1045 HydrophobicContact CG-CD1 4.14Å; L1018-L1045 CarbonylContact O-C 3.34Å; L1018-L1045 WeakPolarHBondContact O-CA 3.47Å; L1039-L1045 HydrophobicContact CD1-CD1 4.37Å; L1042-L1045 HydrophobicContact CD1-CB 3.9Å; L1042-L1045 HydrophobicContact CD1-CD1 3.86Å; L1042-L1045 HydrophobicContact CD1-CD2 4.47Å; L1042-L1045 HydrophobicContact CD1-CG 4.28Å; L1045-M1047 HydrophobicContact CD1-CB 4.31Å; L1045-M1047 HydrophobicContact CD1-CE 4.48Å; L1045-M1047 HydrophobicContact CG-CB 4.42Å; L1045-F1058 HydrophobicContact CD2-CE1 4.04Å; L1045-L1061 HydrophobicContact CD2-CD1 4.3Å; L1045-L1061 HydrophobicContact CD2-CD2 4.22Å; L1045-L1066 HydrophobicContact CB-CD1 4.07Å; L1045-Y1068 PolarHBondContact N-O 3.06Å; L1045-L1069 HydrophobicContact CB-CD1 3.97Å; L1045-L1069 HydrophobicContact CD2-CD1 3.91Å; L1045-L1069 HydrophobicContact CG-CD1 4.03Å; L1045-L1069 CarbonylContact O-C 3.39Å; L1045-L1069 WeakPolarHBondContact O-CA 3.18Å; L1045-Y1070 PolarHBondContact O-N 3.48Å |
| 1046 | R | 96.7 | Very high | 90.5 | Very high | 51 Ų | 51 | 45.1 Ų | 45.1 | 19% | 0.192 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.5 | 167.6 | -173 | 169.9 | -174.4 | -158.1 | -2.5 | 110.1 | L1018 E1019 I1020 Y1021 M1044 Y1070 | L1018-R1046 PolarHBondContact O-N 3.31Å; E1019-R1046 CarbonylContact C-O 3.5Å; E1019-R1046 WeakPolarHBondContact CA-O 3.39Å; E1019-R1046 HydrophobicContact CB-CB 4.2Å; E1019-R1046 HydrophobicContact CG-CB 3.92Å; E1019-R1046 VanDerWaalsContact OE1-CD 3.27Å; E1019-R1046 WeakPolarHBondContact OE1-CD 3.3Å; E1019-R1046 IonicContact OE1-NH1 2.97Å; E1019-R1046 PolarHBondContact OE1-NH1 3.11Å; I1020-R1046 PolarHBondContact N-O 2.88Å; Y1021-R1046 HydrophobicContact CD1-CG 3.75Å; Y1021-R1046 HydrophobicContact CE1-CG 4.01Å; Y1021-R1046 VanDerWaalsContact CE1-CZ 3.48Å; Y1021-R1046 VanDerWaalsContact CZ-NH1 3.32Å; Y1021-R1046 VanDerWaalsContact OH-CZ 3.29Å; Y1021-R1046 PolarHBondContact OH-NH1 2.82Å; Y1021-R1046 PolarHBondContact OH-NH2 3Å; M1044-R1046 HydrophobicContact SD-CB 4.11Å; R1046-Y1070 CarbonylContact C-O 3.22Å; R1046-Y1070 VanDerWaalsContact CA-O 3.24Å; R1046-Y1070 WeakPolarHBondContact CA-O 3.18Å; R1046-Y1070 HydrophobicContact CG-CD1 3.59Å; R1046-Y1070 HydrophobicContact CG-CE1 4.4Å; R1046-Y1070 HydrophobicContact CG-CG 3.98Å |
| 1047 | M | 93 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 146.6 | -171.1 | 173.6 | 174.4 | -83.1 | 0 | 0 | 112.1 | I1020 I1032 E1033 V1036 L1045 I1049 Y1070 L1071 D1072 | I1020-M1047 HydrophobicContact CG2-CB 4.49Å; I1020-M1047 HydrophobicContact CG2-CE 3.83Å; I1020-M1047 HydrophobicContact CG2-CG 4.48Å; I1020-M1047 WeakPolarHBondContact O-CA 3.32Å; I1032-M1047 HydrophobicContact CG2-CG 4.43Å; E1033-M1047 HydrophobicContact CB-SD 4.17Å; V1036-M1047 HydrophobicContact CG2-CE 4.31Å; V1036-M1047 HydrophobicContact CG2-SD 4.31Å; L1045-M1047 HydrophobicContact CD1-CB 4.31Å; L1045-M1047 HydrophobicContact CD1-CE 4.48Å; L1045-M1047 HydrophobicContact CG-CB 4.42Å; M1047-I1049 HydrophobicContact CG-CD1 4.32Å; M1047-I1049 HydrophobicContact SD-CD1 4.32Å; M1047-Y1070 PolarHBondContact N-O 2.85Å; M1047-L1071 HydrophobicContact CB-CD2 4.47Å; M1047-L1071 WeakPolarHBondContact O-CA 3.33Å; M1047-D1072 PolarHBondContact O-N 2.75Å |
| 1048 | Q | 90.3 | Very high | 90.1 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 12% | 0.121 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 133.9 | 167.2 | -177.2 | 171.5 | 30.3 | 0 | 0 | 110.8 | I1020 I1032 D1072 | I1020-Q1048 PolarHBondContact O-N 3.09Å; I1032-Q1048 WeakPolarHBondContact CG2-O 3.23Å; Q1048-D1072 CarbonylContact C-O 3.48Å; Q1048-D1072 VanDerWaalsContact CA-O 3.32Å; Q1048-D1072 WeakPolarHBondContact CA-O 3.43Å |
| 1049 | I | 88.9 | Confident | 89.8 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | trans | -102.5 | 127.6 | 173.4 | -56.7 | -59.8 | 0 | 0 | 0 | 109.8 | E1033 M1047 L1054 F1058 L1071 D1072 A1073 V1076 | E1033-I1049 HydrophobicContact CB-CD1 4.22Å; M1047-I1049 HydrophobicContact CG-CD1 4.32Å; M1047-I1049 HydrophobicContact SD-CD1 4.32Å; I1049-L1054 HydrophobicContact CG2-CD1 4.31Å; I1049-F1058 HydrophobicContact CD1-CE2 4.18Å; I1049-F1058 HydrophobicContact CD1-CZ 3.88Å; I1049-L1071 HydrophobicContact CD1-CD2 4.23Å; I1049-L1071 HydrophobicContact CG1-CB 4.22Å; I1049-L1071 HydrophobicContact CG1-CD1 4.38Å; I1049-L1071 HydrophobicContact CG1-CD2 4.25Å; I1049-D1072 PolarHBondContact N-O 2.81Å; I1049-A1073 HydrophobicContact CB-CB 4.46Å; I1049-V1076 HydrophobicContact CB-CG2 4.09Å; I1049-V1076 HydrophobicContact CG2-CG2 3.6Å | ||
| 1050 | V | 82.7 | Confident | 89.3 | Confident | 37 Ų | 37 | 45 Ų | 45 | 22% | 0.224 | 22% | 0.222 | C | C | . | . | trans | -95.3 | -37.6 | -176.8 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | V1027 I1032 E1033 | V1027-V1050 HydrophobicContact CB-CG2 4.15Å; V1027-V1050 HydrophobicContact CG1-CB 4.07Å; V1027-V1050 HydrophobicContact CG1-CG1 3.48Å; V1027-V1050 VanDerWaalsContact CG1-CG1 3.48Å; V1027-V1050 HydrophobicContact CG1-CG2 3.48Å; V1027-V1050 VanDerWaalsContact CG1-CG2 3.48Å; V1027-V1050 HydrophobicContact CG2-CG2 4.03Å; I1032-V1050 HydrophobicContact CG2-CG2 4.12Å; E1033-V1050 PolarHBondContact OE2-N 3.13Å | ||
| 1051 | N | 85.1 | Confident | 89.2 | Confident | 50 Ų | 50 | 44.3 Ų | 44.3 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -62.9 | 145.1 | -176.7 | -73.5 | 7.3 | 0 | 0 | 0 | 111.9 | E1033 S1053 V1076 | E1033-N1051 VanDerWaalsContact OE1-CB 3.24Å; E1033-N1051 WeakPolarHBondContact OE1-CB 3.34Å; E1033-N1051 PolarHBondContact OE1-N 3.46Å; E1033-N1051 PolarHBondContact OE1-ND2 3.02Å; E1033-N1051 PolarHBondContact OE1-OD1 2.87Å; N1051-S1053 VanDerWaalsContact C-N 3.3Å; N1051-S1053 PolarHBondContact O-N 3.1Å; N1051-V1076 WeakPolarHBondContact O-CG2 3.3Å |
| 1052 | R | 87.4 | Confident | 89.1 | Confident | 182 Ų | 182 | 43.4 Ų | 43.4 | 69% | 0.687 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -70.7 | -24.8 | 176.9 | -70.2 | -172.7 | 174.5 | -127.2 | 3.7 | 113.9 | G1075 V1076 D1077 R1078 | R1052-G1075 WeakPolarHBondContact CA-O 3.13Å; R1052-V1076 CarbonylContact O-C 3.53Å; R1052-V1076 WeakPolarHBondContact O-CA 3.03Å; R1052-D1077 IonicContact NH1-OD2 3.9Å; R1052-D1077 PolarHBondContact O-N 2.93Å; R1052-R1078 PolarHBondContact O-N 3.09Å |
| 1053 | S | 90.5 | Very high | 88.7 | Confident | 29 Ų | 29 | 43.3 Ų | 43.3 | 20% | 0.203 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.2 | 178.4 | -165 | 0 | 0 | 0 | 0 | 109.2 | N1051 Q1057 R1078 | N1051-S1053 VanDerWaalsContact C-N 3.3Å; N1051-S1053 PolarHBondContact O-N 3.1Å; S1053-Q1057 PolarHBondContact O-NE2 2.91Å; S1053-R1078 CarbonylContact C-O 3.25Å; S1053-R1078 WeakPolarHBondContact CA-O 3.03Å |
| 1054 | L | 90.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 113.7 | 171.9 | -176.2 | 71.3 | 0 | 0 | 0 | 109.4 | I1049 F1058 L1071 V1076 R1078 L1079 E1080 A1083 F1084 L1096 | I1049-L1054 HydrophobicContact CG2-CD1 4.31Å; L1054-F1058 HydrophobicContact CD1-CD2 4.24Å; L1054-F1058 HydrophobicContact CD1-CE2 3.86Å; L1054-L1071 HydrophobicContact CD2-CD1 3.85Å; L1054-V1076 HydrophobicContact CB-CG1 4.02Å; L1054-R1078 PolarHBondContact N-O 2.81Å; L1054-L1079 HydrophobicContact CB-CD2 3.96Å; L1054-L1079 HydrophobicContact CD2-CD2 3.74Å; L1054-L1079 HydrophobicContact CG-CD2 4.28Å; L1054-E1080 PolarHBondContact O-N 3.1Å; L1054-A1083 HydrophobicContact CD2-CB 4.25Å; L1054-A1083 HydrophobicContact CG-CB 4.07Å; L1054-F1084 HydrophobicContact CD2-CE1 3.89Å; L1054-F1084 HydrophobicContact CD2-CZ 3.73Å; L1054-L1096 HydrophobicContact CD2-CD1 4.18Å |
| 1055 | G | 89.6 | Confident | 87.6 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -138.2 | -112.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q1057 A1083 | G1055-Q1057 VanDerWaalsContact C-N 3.29Å; G1055-Q1057 PolarHBondContact O-N 2.7Å; G1055-A1083 VanDerWaalsContact O-CA 3.29Å; G1055-A1083 WeakPolarHBondContact O-CA 3.23Å |
| 1056 | N | 82.5 | Confident | 87.4 | Confident | 115 Ų | 115 | 39.4 Ų | 39.4 | 62% | 0.615 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -82.8 | 14.8 | -170.8 | 69.8 | -26.8 | 0 | 0 | 0 | 116 | F1058 A1059 | N1056-F1058 PolarHBondContact O-N 3.11Å; N1056-F1058 VanDerWaalsContact O-N 3.13Å; N1056-A1059 HydrophobicContact CB-CB 4.27Å; N1056-A1059 WeakPolarHBondContact O-CB 3.18Å; N1056-A1059 PolarHBondContact O-N 3.31Å |
| 1057 | Q | 85.8 | Confident | 87.3 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 17% | 0.173 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -60.6 | -24.3 | -178.8 | -68.5 | 96.3 | -40.8 | 0 | 0 | 114.2 | E1033 S1053 G1055 | E1033-Q1057 HydrophobicContact CG-CG 4.35Å; S1053-Q1057 PolarHBondContact O-NE2 2.91Å; G1055-Q1057 VanDerWaalsContact C-N 3.29Å; G1055-Q1057 PolarHBondContact O-N 2.7Å |
| 1058 | F | 86.3 | Confident | 87.5 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 4% | 0.044 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -96.6 | 11.7 | 175.5 | -66 | -71.9 | 0 | 0 | 0 | 113.3 | V1036 L1045 I1049 L1054 N1056 D1060 L1061 L1069 L1071 Q1086 | V1036-F1058 HydrophobicContact CG1-CD1 4.32Å; V1036-F1058 HydrophobicContact CG2-CD1 3.93Å; V1036-F1058 HydrophobicContact CG2-CE1 3.82Å; L1045-F1058 HydrophobicContact CD2-CE1 4.04Å; I1049-F1058 HydrophobicContact CD1-CE2 4.18Å; I1049-F1058 HydrophobicContact CD1-CZ 3.88Å; L1054-F1058 HydrophobicContact CD1-CD2 4.24Å; L1054-F1058 HydrophobicContact CD1-CE2 3.86Å; N1056-F1058 PolarHBondContact O-N 3.11Å; N1056-F1058 VanDerWaalsContact O-N 3.13Å; F1058-D1060 PolarHBondContact O-N 2.91Å; F1058-L1061 HydrophobicContact CB-CB 4.28Å; F1058-L1061 HydrophobicContact CD1-CB 4.3Å; F1058-L1061 HydrophobicContact CD1-CD2 3.86Å; F1058-L1061 WeakPolarHBondContact O-CB 3.13Å; F1058-L1061 PolarHBondContact O-N 2.83Å; F1058-L1061 VanDerWaalsContact O-N 3.09Å; F1058-L1069 HydrophobicContact CE1-CD1 4.5Å; F1058-L1071 HydrophobicContact CE1-CD2 4.45Å; F1058-L1071 HydrophobicContact CE2-CD1 3.65Å; F1058-L1071 HydrophobicContact CE2-CD2 4.04Å; F1058-L1071 HydrophobicContact CZ-CD1 4.03Å; F1058-L1071 HydrophobicContact CZ-CD2 3.51Å; F1058-L1071 HydrophobicContact CZ-CG 4.44Å; F1058-Q1086 WeakPolarHBondContact O-CG 3.46Å |
| 1059 | A | 83.2 | Confident | 87.7 | Confident | 40 Ų | 40 | 43.6 Ų | 43.6 | 33% | 0.331 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -35 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1056 Q1086 | N1056-A1059 HydrophobicContact CB-CB 4.27Å; N1056-A1059 WeakPolarHBondContact O-CB 3.18Å; N1056-A1059 PolarHBondContact O-N 3.31Å; A1059-Q1086 PolarHBondContact O-NE2 3.23Å |
| 1060 | D | 84.1 | Confident | 88.1 | Confident | 118 Ų | 118 | 45.2 Ų | 45.2 | 63% | 0.631 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -3.9 | 179.8 | -58.5 | -49.5 | 0 | 0 | 0 | 113.5 | F1058 D1062 | F1058-D1060 PolarHBondContact O-N 2.91Å; D1060-D1062 PolarHBondContact O-N 2.97Å |
| 1061 | L | 87.1 | Confident | 88.7 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | trans | -70.7 | 122.3 | 177.4 | -174.1 | 66.6 | 0 | 0 | 0 | 110.6 | V1036 L1045 F1058 A1063 L1066 | V1036-L1061 HydrophobicContact CG1-CB 3.56Å; V1036-L1061 HydrophobicContact CG1-CD1 4Å; V1036-L1061 HydrophobicContact CG1-CG 4.34Å; L1045-L1061 HydrophobicContact CD2-CD1 4.3Å; L1045-L1061 HydrophobicContact CD2-CD2 4.22Å; F1058-L1061 HydrophobicContact CB-CB 4.28Å; F1058-L1061 HydrophobicContact CD1-CB 4.3Å; F1058-L1061 HydrophobicContact CD1-CD2 3.86Å; F1058-L1061 WeakPolarHBondContact O-CB 3.13Å; F1058-L1061 PolarHBondContact O-N 2.83Å; F1058-L1061 VanDerWaalsContact O-N 3.09Å; L1061-A1063 VanDerWaalsContact C-N 3.3Å; L1061-A1063 HydrophobicContact CD2-CB 4.41Å; L1061-A1063 PolarHBondContact O-N 3.09Å; L1061-L1066 HydrophobicContact CD2-CD2 3.93Å | ||
| 1062 | D | 85.5 | Confident | 89 | Confident | 25 Ų | 25 | 42 Ų | 42 | 13% | 0.134 | 20% | 0.197 | C | C | . | . | trans | -76.1 | 80.9 | 169.3 | -170.6 | 3.1 | 0 | 0 | 0 | 111.5 | R275 P1041 D1060 R1064 R1088 | R275-D1062 VanDerWaalsContact NH2-CG 3.28Å; R275-D1062 IonicContact NH2-OD1 2.94Å; R275-D1062 PolarHBondContact NH2-OD1 3.28Å; R275-D1062 IonicContact NH2-OD2 3.8Å; R275-D1062 PolarHBondContact NH2-OD2 2.83Å; P1041-D1062 HydrophobicContact CB-CB 3.9Å; D1060-D1062 PolarHBondContact O-N 2.97Å; D1062-R1064 PolarHBondContact O-N 3.15Å; D1062-R1064 WeakPolarHBondContact OD1-CB 3.34Å; D1062-R1064 VanDerWaalsContact OD1-CG 3.24Å; D1062-R1064 WeakPolarHBondContact OD1-CG 3.31Å; D1062-R1064 IonicContact OD1-CZ 2.89Å; D1062-R1064 PolarHBondContact OD1-N 3.2Å; D1062-R1064 IonicContact OD1-NE 3.75Å; D1062-R1064 PolarHBondContact OD1-NE 2.94Å; D1062-R1064 IonicContact OD2-CZ 3.79Å; D1062-R1064 VanDerWaalsContact OD2-CZ 3.3Å; D1062-R1064 IonicContact OD2-NE 2.84Å; D1062-R1064 PolarHBondContact OD2-NE 2.79Å; D1062-R1064 VanDerWaalsContact OD2-NE 3.09Å; D1062-R1064 IonicContact OD2-NH2 2.71Å; D1062-R1064 PolarHBondContact OD2-NH2 3.14Å; D1062-R1088 IonicContact OD1-NH2 2.85Å | ||
| 1063 | A | 85.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 14.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1061 Y1065 L1066 L1087 | L1061-A1063 VanDerWaalsContact C-N 3.3Å; L1061-A1063 HydrophobicContact CD2-CB 4.41Å; L1061-A1063 PolarHBondContact O-N 3.09Å; A1063-Y1065 VanDerWaalsContact C-N 3.3Å; A1063-Y1065 PolarHBondContact O-N 2.85Å; A1063-L1066 HydrophobicContact CB-CB 4.06Å; A1063-L1066 HydrophobicContact CB-CD2 4.24Å; A1063-L1066 PolarHBondContact O-N 3.3Å; A1063-L1087 HydrophobicContact CB-CD2 4.22Å |
| 1064 | R | 81.6 | Confident | 89 | Confident | 36 Ų | 36 | 35.4 Ų | 35.4 | 14% | 0.136 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -46.6 | -179.1 | -82.2 | -177 | -66.4 | 166.2 | 8.9 | 113 | N250 D1062 R1067 | N250-R1064 PolarHBondContact O-NH1 3.34Å; D1062-R1064 PolarHBondContact O-N 3.15Å; D1062-R1064 WeakPolarHBondContact OD1-CB 3.34Å; D1062-R1064 VanDerWaalsContact OD1-CG 3.24Å; D1062-R1064 WeakPolarHBondContact OD1-CG 3.31Å; D1062-R1064 IonicContact OD1-CZ 2.89Å; D1062-R1064 PolarHBondContact OD1-N 3.2Å; D1062-R1064 IonicContact OD1-NE 3.75Å; D1062-R1064 PolarHBondContact OD1-NE 2.94Å; D1062-R1064 IonicContact OD2-CZ 3.79Å; D1062-R1064 VanDerWaalsContact OD2-CZ 3.3Å; D1062-R1064 IonicContact OD2-NE 2.84Å; D1062-R1064 PolarHBondContact OD2-NE 2.79Å; D1062-R1064 VanDerWaalsContact OD2-NE 3.09Å; D1062-R1064 IonicContact OD2-NH2 2.71Å; D1062-R1064 PolarHBondContact OD2-NH2 3.14Å; R1064-R1067 PolarHBondContact O-NH1 3.02Å |
| 1065 | Y | 85.2 | Confident | 88.7 | Confident | 60 Ų | 60 | 36.8 Ų | 36.8 | 24% | 0.235 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -99.2 | -0.3 | -177.6 | -53.8 | -65.1 | 0 | 0 | 0 | 113.1 | E225 P1041 L1042 R1043 A1063 R1067 | E225-Y1065 VanDerWaalsContact OE2-CE1 3.24Å; E225-Y1065 WeakPolarHBondContact OE2-CE1 3.29Å; E225-Y1065 VanDerWaalsContact OE2-CZ 3.26Å; E225-Y1065 PolarHBondContact OE2-OH 3.25Å; P1041-Y1065 HydrophobicContact CB-CD2 3.89Å; P1041-Y1065 HydrophobicContact CB-CE2 4.34Å; P1041-Y1065 HydrophobicContact CG-CD2 4.25Å; P1041-Y1065 HydrophobicContact CG-CE2 4.35Å; L1042-Y1065 CarbonylContact O-C 3.39Å; R1043-Y1065 WeakPolarHBondContact CA-O 3.06Å; A1063-Y1065 VanDerWaalsContact C-N 3.3Å; A1063-Y1065 PolarHBondContact O-N 2.85Å; Y1065-R1067 PolarHBondContact O-N 2.91Å |
| 1066 | L | 92.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | trans | -68.2 | 127 | -174.8 | -162 | 74.3 | 0 | 0 | 0 | 109.4 | L1042 L1045 L1061 A1063 L1069 L1087 | L1042-L1066 HydrophobicContact CB-CD1 3.96Å; L1042-L1066 WeakPolarHBondContact O-CA 3.43Å; L1042-L1066 PolarHBondContact O-N 3.21Å; L1045-L1066 HydrophobicContact CB-CD1 4.07Å; L1061-L1066 HydrophobicContact CD2-CD2 3.93Å; A1063-L1066 HydrophobicContact CB-CB 4.06Å; A1063-L1066 HydrophobicContact CB-CD2 4.24Å; A1063-L1066 PolarHBondContact O-N 3.3Å; L1066-L1069 HydrophobicContact CD2-CB 3.96Å; L1066-L1069 HydrophobicContact CD2-CD1 4.36Å; L1066-L1087 HydrophobicContact CD2-CD2 3.68Å | ||
| 1067 | R | 94.4 | Very high | 89.3 | Confident | 95 Ų | 95 | 34.6 Ų | 34.6 | 36% | 0.358 | 18% | 0.177 | S | C | . | . | trans | -118.5 | -21.9 | 177.2 | -58.6 | -59.7 | 170.2 | -112.1 | 1.6 | 111.7 | R1043 R1064 Y1065 R1088 Y1091 V1092 Q1093 | R1043-R1067 PolarHBondContact O-N 3.31Å; R1064-R1067 PolarHBondContact O-NH1 3.02Å; Y1065-R1067 PolarHBondContact O-N 2.91Å; R1067-R1088 PolarHBondContact NH1-O 2.97Å; R1067-Y1091 WeakPolarHBondContact CD-O 3.29Å; R1067-V1092 CarbonylContact O-C 3.53Å; R1067-V1092 WeakPolarHBondContact O-CA 3.32Å; R1067-Q1093 PolarHBondContact O-N 3.34Å | ||
| 1068 | Y | 97 | Very high | 89.5 | Confident | 68 Ų | 68 | 40.5 Ų | 40.5 | 27% | 0.267 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 120.2 | 179.6 | -171.8 | -86.9 | 0 | 0 | 0 | 110.4 | R1043 M1044 L1045 Y1070 Q1093 | R1043-Y1068 PolarHBondContact O-N 3.06Å; R1043-Y1068 VanDerWaalsContact O-N 3.16Å; M1044-Y1068 WeakPolarHBondContact CA-O 3.25Å; M1044-Y1068 HydrophobicContact CG-CD1 3.57Å; M1044-Y1068 HydrophobicContact CG-CE1 4.44Å; M1044-Y1068 HydrophobicContact CG-CG 4.05Å; M1044-Y1068 HydrophobicContact SD-CD1 4.06Å; L1045-Y1068 PolarHBondContact N-O 3.06Å; Y1068-Y1070 VanDerWaalsContact CE1-CB 3.43Å; Y1068-Y1070 HydrophobicContact CE1-CD2 4.19Å; Y1068-Y1070 HydrophobicContact CE1-CG 4.24Å; Y1068-Y1070 AromaticContact CZ-CD2 3.98Å; Y1068-Y1070 WeakPolarHBondContact OH-CD2 3.29Å; Y1068-Q1093 WeakPolarHBondContact CA-O 3.47Å; Y1068-Q1093 HydrophobicContact CD2-CB 3.75Å; Y1068-Q1093 HydrophobicContact CD2-CG 3.77Å; Y1068-Q1093 HydrophobicContact CE2-CB 4.3Å; Y1068-Q1093 HydrophobicContact CE2-CG 3.79Å |
| 1069 | L | 96.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 115.7 | 172.9 | -179.3 | 60.1 | 0 | 0 | 0 | 108.8 | L1045 F1058 L1066 L1071 F1084 L1087 Q1093 L1094 S1095 | L1045-L1069 HydrophobicContact CB-CD1 3.97Å; L1045-L1069 HydrophobicContact CD2-CD1 3.91Å; L1045-L1069 HydrophobicContact CG-CD1 4.03Å; L1045-L1069 CarbonylContact O-C 3.39Å; L1045-L1069 WeakPolarHBondContact O-CA 3.18Å; F1058-L1069 HydrophobicContact CE1-CD1 4.5Å; L1066-L1069 HydrophobicContact CD2-CB 3.96Å; L1066-L1069 HydrophobicContact CD2-CD1 4.36Å; L1069-L1071 HydrophobicContact CD1-CD2 3.71Å; L1069-L1071 HydrophobicContact CD1-CG 4.32Å; L1069-L1071 HydrophobicContact CD2-CD1 4.4Å; L1069-L1071 HydrophobicContact CD2-CG 4.5Å; L1069-L1071 HydrophobicContact CG-CD2 4.06Å; L1069-L1071 HydrophobicContact CG-CG 4.11Å; L1069-F1084 HydrophobicContact CD2-CD1 4.31Å; L1069-L1087 HydrophobicContact CD2-CD1 4.31Å; L1069-L1087 HydrophobicContact CD2-CD2 4.05Å; L1069-Q1093 PolarHBondContact N-O 2.89Å; L1069-L1094 HydrophobicContact CB-CD1 4.09Å; L1069-L1094 HydrophobicContact CD2-CD1 3.9Å; L1069-L1094 HydrophobicContact CG-CD1 4.08Å; L1069-L1094 CarbonylContact O-C 3.28Å; L1069-L1094 WeakPolarHBondContact O-CA 3.49Å; L1069-S1095 PolarHBondContact O-N 3.47Å |
| 1070 | Y | 97.2 | Very high | 90.2 | Very high | 37 Ų | 37 | 43.3 Ų | 43.3 | 15% | 0.145 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 116.9 | 178 | -173.9 | -69.4 | 0 | 0 | 0 | 111.2 | L1045 R1046 M1047 Y1068 S1095 V1097 | L1045-Y1070 PolarHBondContact O-N 3.48Å; R1046-Y1070 CarbonylContact C-O 3.22Å; R1046-Y1070 VanDerWaalsContact CA-O 3.24Å; R1046-Y1070 WeakPolarHBondContact CA-O 3.18Å; R1046-Y1070 HydrophobicContact CG-CD1 3.59Å; R1046-Y1070 HydrophobicContact CG-CE1 4.4Å; R1046-Y1070 HydrophobicContact CG-CG 3.98Å; M1047-Y1070 PolarHBondContact N-O 2.85Å; Y1068-Y1070 VanDerWaalsContact CE1-CB 3.43Å; Y1068-Y1070 HydrophobicContact CE1-CD2 4.19Å; Y1068-Y1070 HydrophobicContact CE1-CG 4.24Å; Y1068-Y1070 AromaticContact CZ-CD2 3.98Å; Y1068-Y1070 WeakPolarHBondContact OH-CD2 3.29Å; Y1070-S1095 WeakPolarHBondContact CA-O 3.45Å; Y1070-S1095 WeakPolarHBondContact CD2-OG 3.44Å; Y1070-V1097 HydrophobicContact CD1-CG2 4.36Å; Y1070-V1097 HydrophobicContact CE1-CG2 3.49Å; Y1070-V1097 VanDerWaalsContact CE1-CG2 3.49Å; Y1070-V1097 HydrophobicContact CE2-CG1 4.43Å; Y1070-V1097 HydrophobicContact CE2-CG2 4.26Å; Y1070-V1097 VanDerWaalsContact CZ-CG2 3.45Å; Y1070-V1097 WeakPolarHBondContact OH-CG2 3.45Å |
| 1071 | L | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 112.6 | -176.7 | -56.5 | -174.2 | 0 | 0 | 0 | 109.8 | M1047 I1049 L1054 F1058 L1069 A1073 F1084 S1095 L1096 V1097 | M1047-L1071 HydrophobicContact CB-CD2 4.47Å; M1047-L1071 WeakPolarHBondContact O-CA 3.33Å; I1049-L1071 HydrophobicContact CD1-CD2 4.23Å; I1049-L1071 HydrophobicContact CG1-CB 4.22Å; I1049-L1071 HydrophobicContact CG1-CD1 4.38Å; I1049-L1071 HydrophobicContact CG1-CD2 4.25Å; L1054-L1071 HydrophobicContact CD2-CD1 3.85Å; F1058-L1071 HydrophobicContact CE1-CD2 4.45Å; F1058-L1071 HydrophobicContact CE2-CD1 3.65Å; F1058-L1071 HydrophobicContact CE2-CD2 4.04Å; F1058-L1071 HydrophobicContact CZ-CD1 4.03Å; F1058-L1071 HydrophobicContact CZ-CD2 3.51Å; F1058-L1071 HydrophobicContact CZ-CG 4.44Å; L1069-L1071 HydrophobicContact CD1-CD2 3.71Å; L1069-L1071 HydrophobicContact CD1-CG 4.32Å; L1069-L1071 HydrophobicContact CD2-CD1 4.4Å; L1069-L1071 HydrophobicContact CD2-CG 4.5Å; L1069-L1071 HydrophobicContact CG-CD2 4.06Å; L1069-L1071 HydrophobicContact CG-CG 4.11Å; L1071-A1073 PolarHBondContact O-N 3.03Å; L1071-F1084 HydrophobicContact CD1-CE1 3.77Å; L1071-F1084 HydrophobicContact CD1-CZ 4.43Å; L1071-S1095 PolarHBondContact N-O 3.07Å; L1071-L1096 HydrophobicContact CB-CD1 3.9Å; L1071-L1096 HydrophobicContact CD1-CD1 4.26Å; L1071-V1097 PolarHBondContact O-N 2.89Å |
| 1072 | D | 91.8 | Very high | 90.1 | Very high | 19 Ų | 19 | 46.4 Ų | 46.4 | 10% | 0.102 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 98.7 | 168.1 | -171.7 | 3.8 | 0 | 0 | 0 | 108.8 | M1047 Q1048 I1049 V1074 N1098 | M1047-D1072 PolarHBondContact O-N 2.75Å; Q1048-D1072 CarbonylContact C-O 3.48Å; Q1048-D1072 VanDerWaalsContact CA-O 3.32Å; Q1048-D1072 WeakPolarHBondContact CA-O 3.43Å; I1049-D1072 PolarHBondContact N-O 2.81Å; D1072-V1074 WeakPolarHBondContact OD1-CG2 3.5Å; D1072-N1098 WeakPolarHBondContact OD1-CB 3.45Å; D1072-N1098 PolarHBondContact OD1-ND2 3.41Å |
| 1073 | A | 90.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -111 | 40.7 | -159.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1049 L1071 G1075 V1076 L1096 V1097 S1099 | I1049-A1073 HydrophobicContact CB-CB 4.46Å; L1071-A1073 PolarHBondContact O-N 3.03Å; A1073-G1075 PolarHBondContact O-N 3.34Å; A1073-V1076 HydrophobicContact CB-CB 4.01Å; A1073-V1076 HydrophobicContact CB-CG2 3.72Å; A1073-V1076 WeakPolarHBondContact O-CB 2.96Å; A1073-V1076 PolarHBondContact O-N 3.32Å; A1073-L1096 HydrophobicContact CB-CD1 3.48Å; A1073-L1096 VanDerWaalsContact CB-CD1 3.48Å; A1073-L1096 HydrophobicContact CB-CG 4.38Å; A1073-V1097 PolarHBondContact N-O 2.93Å; A1073-S1099 WeakPolarHBondContact O-CA 3.38Å; A1073-S1099 WeakPolarHBondContact O-CB 3.22Å | ||
| 1074 | V | 86.3 | Confident | 90.5 | Very high | 72 Ų | 72 | 45.5 Ų | 45.5 | 44% | 0.436 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43 | -40.4 | -172.4 | -176 | 0 | 0 | 0 | 0 | 114.9 | D1072 N1098 Q1100 | D1072-V1074 WeakPolarHBondContact OD1-CG2 3.5Å; V1074-N1098 VanDerWaalsContact CA-O 3.26Å; V1074-N1098 WeakPolarHBondContact CA-O 3.3Å; V1074-N1098 HydrophobicContact CG2-CB 4.19Å; V1074-Q1100 PolarHBondContact O-NE2 3.28Å |
| 1075 | G | 84.7 | Confident | 90.7 | Very high | 30 Ų | 30 | 44.8 Ų | 44.8 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -12.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116 | R1052 A1073 D1077 | R1052-G1075 WeakPolarHBondContact CA-O 3.13Å; A1073-G1075 PolarHBondContact O-N 3.34Å; G1075-D1077 PolarHBondContact O-N 3.24Å |
| 1076 | V | 92 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -74.3 | 120 | -172.9 | -179.7 | 0 | 0 | 0 | 0 | 110 | I1049 N1051 R1052 L1054 A1073 R1078 Q1100 V1101 | I1049-V1076 HydrophobicContact CB-CG2 4.09Å; I1049-V1076 HydrophobicContact CG2-CG2 3.6Å; N1051-V1076 WeakPolarHBondContact O-CG2 3.3Å; R1052-V1076 CarbonylContact O-C 3.53Å; R1052-V1076 WeakPolarHBondContact O-CA 3.03Å; L1054-V1076 HydrophobicContact CB-CG1 4.02Å; A1073-V1076 HydrophobicContact CB-CB 4.01Å; A1073-V1076 HydrophobicContact CB-CG2 3.72Å; A1073-V1076 WeakPolarHBondContact O-CB 2.96Å; A1073-V1076 PolarHBondContact O-N 3.32Å; V1076-R1078 WeakPolarHBondContact CG1-O 3.38Å; V1076-Q1100 CarbonylContact O-C 3.34Å; V1076-Q1100 WeakPolarHBondContact O-CA 3.48Å; V1076-Q1100 WeakPolarHBondContact O-CB 3.06Å; V1076-Q1100 PolarHBondContact O-N 3.25Å; V1076-V1101 HydrophobicContact CG1-CG2 3.89Å; V1076-V1101 PolarHBondContact O-N 3.24Å | ||
| 1077 | D | 92.5 | Very high | 90.4 | Very high | 71 Ų | 71 | 45.9 Ų | 45.9 | 38% | 0.38 | 23% | 0.226 | S | C | . | . | trans | -113.3 | -15.7 | 173.6 | 60.7 | 24.8 | 0 | 0 | 0 | 113 | R1052 G1075 Q1100 | R1052-D1077 IonicContact NH1-OD2 3.9Å; R1052-D1077 PolarHBondContact O-N 2.93Å; G1075-D1077 PolarHBondContact O-N 3.24Å; D1077-Q1100 HydrophobicContact CB-CB 3.96Å | ||
| 1078 | R | 90.7 | Very high | 90.1 | Very high | 160 Ų | 160 | 44.3 Ų | 44.3 | 60% | 0.604 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.5 | -178.9 | -172.3 | -177.6 | -60.6 | 160.8 | 3.1 | 111.6 | R1052 S1053 L1054 V1076 | R1052-R1078 PolarHBondContact O-N 3.09Å; S1053-R1078 CarbonylContact C-O 3.25Å; S1053-R1078 WeakPolarHBondContact CA-O 3.03Å; L1054-R1078 PolarHBondContact N-O 2.81Å; V1076-R1078 WeakPolarHBondContact CG1-O 3.38Å |
| 1079 | L | 91.8 | Very high | 89.3 | Confident | 21 Ų | 21 | 41.8 Ų | 41.8 | 11% | 0.11 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126 | 170.7 | -76.3 | 161.9 | 0 | 0 | 0 | 109.7 | L1054 A1083 F1084 L1096 V1101 F1104 I1108 | L1054-L1079 HydrophobicContact CB-CD2 3.96Å; L1054-L1079 HydrophobicContact CD2-CD2 3.74Å; L1054-L1079 HydrophobicContact CG-CD2 4.28Å; L1079-A1083 HydrophobicContact CD2-CB 4.36Å; L1079-F1084 HydrophobicContact CD2-CE2 4.24Å; L1079-F1084 HydrophobicContact CD2-CZ 4.28Å; L1079-L1096 HydrophobicContact CD1-CD2 3.66Å; L1079-L1096 HydrophobicContact CD2-CD2 3.8Å; L1079-L1096 HydrophobicContact CG-CD2 4.21Å; L1079-V1101 HydrophobicContact CD1-CB 4.24Å; L1079-V1101 HydrophobicContact CD1-CG1 3.49Å; L1079-V1101 VanDerWaalsContact CD1-CG1 3.49Å; L1079-V1101 HydrophobicContact CD1-CG2 3.79Å; L1079-V1101 HydrophobicContact CG-CG1 4.27Å; L1079-V1101 HydrophobicContact CG-CG2 3.86Å; L1079-F1104 HydrophobicContact CD1-CD2 3.51Å; L1079-F1104 HydrophobicContact CD1-CE2 3.9Å; L1079-F1104 HydrophobicContact CD1-CG 4.34Å; L1079-I1108 HydrophobicContact CB-CD1 4.03Å; L1079-I1108 HydrophobicContact CD1-CD1 4.22Å |
| 1080 | E | 92.2 | Very high | 88.3 | Confident | 88 Ų | 88 | 47.9 Ų | 47.9 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | trans | -86.2 | 149.1 | 170.4 | -59.7 | -175.3 | -177.4 | 0 | 0 | 110.6 | L1054 Q1082 A1083 | L1054-E1080 PolarHBondContact O-N 3.1Å; E1080-Q1082 PolarHBondContact O-N 3.08Å; E1080-A1083 VanDerWaalsContact O-CB 3.32Å; E1080-A1083 WeakPolarHBondContact O-CB 3.47Å; E1080-A1083 PolarHBondContact O-N 3.29Å; E1080-A1083 VanDerWaalsContact O-N 3.08Å | ||
| 1081 | P | 85.2 | Confident | 87.8 | Confident | 47 Ų | 47 | 50.3 Ų | 50.3 | 31% | 0.305 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -27.6 | -176.7 | -28.6 | 36.2 | 0 | 0 | 0 | 115.3 | Q1107 T1111 | P1081-Q1107 HydrophobicContact CB-CB 4Å; P1081-Q1107 HydrophobicContact CG-CB 4.26Å; P1081-Q1107 VanDerWaalsContact CG-OE1 3.28Å; P1081-T1111 WeakPolarHBondContact O-CG2 3.2Å; P1081-T1111 PolarHBondContact O-OG1 3.01Å |
| 1082 | Q | 84.3 | Confident | 87.7 | Confident | 143 Ų | 143 | 50.3 Ų | 50.3 | 67% | 0.668 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 0.6 | -177.3 | -63 | -173.3 | 8.2 | 0 | 0 | 114.2 | E1080 F1084 G1085 | E1080-Q1082 PolarHBondContact O-N 3.08Å; Q1082-F1084 PolarHBondContact O-N 3.4Å; Q1082-G1085 PolarHBondContact O-N 3.17Å |
| 1083 | A | 89.9 | Confident | 87.9 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -36.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115 | L1054 G1055 L1079 E1080 | L1054-A1083 HydrophobicContact CD2-CB 4.25Å; L1054-A1083 HydrophobicContact CG-CB 4.07Å; G1055-A1083 VanDerWaalsContact O-CA 3.29Å; G1055-A1083 WeakPolarHBondContact O-CA 3.23Å; L1079-A1083 HydrophobicContact CD2-CB 4.36Å; E1080-A1083 VanDerWaalsContact O-CB 3.32Å; E1080-A1083 WeakPolarHBondContact O-CB 3.47Å; E1080-A1083 PolarHBondContact O-N 3.29Å; E1080-A1083 VanDerWaalsContact O-N 3.08Å |
| 1084 | F | 90.5 | Very high | 88.1 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | 14.8 | -176.7 | -51.2 | -64.3 | 0 | 0 | 0 | 113.1 | L1054 L1069 L1071 L1079 Q1082 Q1086 L1087 L1094 L1096 F1104 I1108 L1112 | L1054-F1084 HydrophobicContact CD2-CE1 3.89Å; L1054-F1084 HydrophobicContact CD2-CZ 3.73Å; L1069-F1084 HydrophobicContact CD2-CD1 4.31Å; L1071-F1084 HydrophobicContact CD1-CE1 3.77Å; L1071-F1084 HydrophobicContact CD1-CZ 4.43Å; L1079-F1084 HydrophobicContact CD2-CE2 4.24Å; L1079-F1084 HydrophobicContact CD2-CZ 4.28Å; Q1082-F1084 PolarHBondContact O-N 3.4Å; F1084-Q1086 PolarHBondContact O-N 3.13Å; F1084-L1087 HydrophobicContact CB-CD1 3.88Å; F1084-L1087 HydrophobicContact CB-CG 4.18Å; F1084-L1087 HydrophobicContact CD1-CD1 4.36Å; F1084-L1087 HydrophobicContact CG-CD1 4.42Å; F1084-L1087 WeakPolarHBondContact O-CB 3.48Å; F1084-L1087 WeakPolarHBondContact O-CG 3.45Å; F1084-L1087 PolarHBondContact O-N 3Å; F1084-L1094 HydrophobicContact CB-CD2 4.39Å; F1084-L1094 HydrophobicContact CD1-CD1 3.88Å; F1084-L1094 HydrophobicContact CD1-CD2 3.96Å; F1084-L1094 HydrophobicContact CD2-CD2 3.82Å; F1084-L1094 HydrophobicContact CE1-CD1 3.74Å; F1084-L1094 HydrophobicContact CE1-CD2 4.17Å; F1084-L1094 HydrophobicContact CE2-CD2 4.04Å; F1084-L1094 HydrophobicContact CG-CD2 3.78Å; F1084-L1094 HydrophobicContact CZ-CD1 4.29Å; F1084-L1094 HydrophobicContact CZ-CD2 4.21Å; F1084-L1096 HydrophobicContact CZ-CD2 4.49Å; F1084-F1104 HydrophobicContact CE2-CE2 4.27Å; F1084-F1104 HydrophobicContact CE2-CZ 4.26Å; F1084-I1108 HydrophobicContact CD2-CG2 3.67Å; F1084-I1108 HydrophobicContact CE2-CG2 4.28Å; F1084-L1112 HydrophobicContact CB-CD2 3.71Å |
| 1085 | G | 84.4 | Confident | 88.6 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -9.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q1082 | Q1082-G1085 PolarHBondContact O-N 3.17Š|
| 1086 | Q | 83.1 | Confident | 89.1 | Confident | 78 Ų | 78 | 47.5 Ų | 47.5 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -15.4 | 174.3 | -63.6 | -64.4 | 9.8 | 0 | 0 | 113.7 | F1058 A1059 F1084 | F1058-Q1086 WeakPolarHBondContact O-CG 3.46Å; A1059-Q1086 PolarHBondContact O-NE2 3.23Å; F1084-Q1086 PolarHBondContact O-N 3.13Å |
| 1087 | L | 88.9 | Confident | 89.3 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | trans | -66.1 | 136.2 | -179.1 | -62.9 | -173.7 | 0 | 0 | 0 | 110.7 | A1063 L1066 L1069 F1084 V1092 L1094 L1112 V1115 | A1063-L1087 HydrophobicContact CB-CD2 4.22Å; L1066-L1087 HydrophobicContact CD2-CD2 3.68Å; L1069-L1087 HydrophobicContact CD2-CD1 4.31Å; L1069-L1087 HydrophobicContact CD2-CD2 4.05Å; F1084-L1087 HydrophobicContact CB-CD1 3.88Å; F1084-L1087 HydrophobicContact CB-CG 4.18Å; F1084-L1087 HydrophobicContact CD1-CD1 4.36Å; F1084-L1087 HydrophobicContact CG-CD1 4.42Å; F1084-L1087 WeakPolarHBondContact O-CB 3.48Å; F1084-L1087 WeakPolarHBondContact O-CG 3.45Å; F1084-L1087 PolarHBondContact O-N 3Å; L1087-V1092 HydrophobicContact CD1-CG1 4.26Å; L1087-L1094 HydrophobicContact CD1-CD1 4.2Å; L1087-L1094 HydrophobicContact CD1-CD2 4.17Å; L1087-L1112 HydrophobicContact CB-CD2 3.98Å; L1087-L1112 HydrophobicContact CD1-CD2 3.98Å; L1087-L1112 HydrophobicContact CG-CD2 4.41Å; L1087-V1115 HydrophobicContact CB-CG2 4.08Å | ||
| 1088 | R | 87.4 | Confident | 89.3 | Confident | 62 Ų | 62 | 46.7 Ų | 46.7 | 23% | 0.234 | 22% | 0.218 | C | C | . | . | trans | -155.8 | 153.1 | -178.4 | 56.9 | -172.9 | 138.5 | 154.3 | 1 | 110.7 | D1062 R1067 H1114 | D1062-R1088 IonicContact OD1-NH2 2.85Å; R1067-R1088 PolarHBondContact NH1-O 2.97Å; R1088-H1114 CarbonylContact C-O 3.6Å; R1088-H1114 WeakPolarHBondContact CA-O 3.46Å; R1088-H1114 HydrophobicContact CB-CB 3.58Å | ||
| 1089 | G | 80.9 | Confident | 89.5 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 138.2 | 172.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1114 V1115 R1116 | G1089-H1114 PolarHBondContact N-O 3Å; G1089-V1115 WeakPolarHBondContact O-CA 3.48Å; G1089-R1116 PolarHBondContact O-N 3.04Å |
| 1090 | Y | 75.8 | Confident | 89.6 | Confident | 130 Ų | 130 | 41 Ų | 41 | 51% | 0.51 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | -46.9 | -178.9 | -175.8 | -96.2 | 0 | 0 | 0 | 112.2 | R1116 Y1117 | Y1090-R1116 WeakPolarHBondContact O-CB 3.22Å; Y1090-Y1117 HydrophobicContact CD1-CD2 4.04Å; Y1090-Y1117 HydrophobicContact CD1-CE2 4.46Å; Y1090-Y1117 HydrophobicContact CD2-CD2 4.47Å; Y1090-Y1117 HydrophobicContact CD2-CE2 4.43Å; Y1090-Y1117 AromaticContact CE1-CD2 3.68Å; Y1090-Y1117 HydrophobicContact CE1-CD2 3.68Å; Y1090-Y1117 AromaticContact CE1-CE2 3.75Å; Y1090-Y1117 HydrophobicContact CE1-CE2 3.75Å; Y1090-Y1117 HydrophobicContact CE2-CD2 4.14Å; Y1090-Y1117 AromaticContact CE2-CE2 3.71Å; Y1090-Y1117 HydrophobicContact CE2-CE2 3.71Å; Y1090-Y1117 HydrophobicContact CG-CD2 4.42Å; Y1090-Y1117 AromaticContact CZ-CD2 3.74Å; Y1090-Y1117 AromaticContact CZ-CE2 3.32Å; Y1090-Y1117 WeakPolarHBondContact O-CB 3.48Å; Y1090-Y1117 WeakPolarHBondContact O-CD2 3.11Å; Y1090-Y1117 PolarHBondContact O-N 2.99Å; Y1090-Y1117 VanDerWaalsContact OH-CE2 3.31Å; Y1090-Y1117 WeakPolarHBondContact OH-CE2 3.47Å |
| 1091 | Y | 87 | Confident | 89.6 | Confident | 87 Ų | 87 | 36.9 Ų | 36.9 | 34% | 0.341 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 128.4 | 177.5 | -179.6 | -82.3 | 0 | 0 | 0 | 109.4 | R1067 Q1093 Y1117 A1119 L1149 | R1067-Y1091 WeakPolarHBondContact CD-O 3.29Å; Y1091-Q1093 HydrophobicContact CE1-CB 4.28Å; Y1091-Y1117 CarbonylContact C-O 3.46Å; Y1091-Y1117 WeakPolarHBondContact CA-O 3.19Å; Y1091-A1119 WeakPolarHBondContact OH-CB 3.4Å; Y1091-L1149 HydrophobicContact CD2-CD1 4Å; Y1091-L1149 HydrophobicContact CE2-CD1 3.77Å |
| 1092 | V | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 130.2 | 175.6 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | R1067 L1087 V1115 Y1117 L1118 A1119 | R1067-V1092 CarbonylContact O-C 3.53Å; R1067-V1092 WeakPolarHBondContact O-CA 3.32Å; L1087-V1092 HydrophobicContact CD1-CG1 4.26Å; V1092-V1115 HydrophobicContact CB-CG1 3.78Å; V1092-V1115 HydrophobicContact CB-CG2 4.22Å; V1092-V1115 HydrophobicContact CG2-CG1 3.92Å; V1092-V1115 HydrophobicContact CG2-CG2 3.88Å; V1092-Y1117 PolarHBondContact N-O 3.32Å; V1092-L1118 WeakPolarHBondContact O-CA 3.29Å; V1092-A1119 PolarHBondContact O-N 3.43Å |
| 1093 | Q | 95.6 | Very high | 90 | Very high | 60 Ų | 60 | 36.9 Ų | 36.9 | 28% | 0.28 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 120.8 | 166.9 | -176.3 | 168.3 | -5 | 0 | 0 | 109.3 | R1067 Y1068 L1069 Y1091 A1119 | R1067-Q1093 PolarHBondContact O-N 3.34Å; Y1068-Q1093 WeakPolarHBondContact CA-O 3.47Å; Y1068-Q1093 HydrophobicContact CD2-CB 3.75Å; Y1068-Q1093 HydrophobicContact CD2-CG 3.77Å; Y1068-Q1093 HydrophobicContact CE2-CB 4.3Å; Y1068-Q1093 HydrophobicContact CE2-CG 3.79Å; L1069-Q1093 PolarHBondContact N-O 2.89Å; Y1091-Q1093 HydrophobicContact CE1-CB 4.28Å; Q1093-A1119 CarbonylContact C-O 3.41Å; Q1093-A1119 WeakPolarHBondContact CA-O 3.43Å; Q1093-A1119 HydrophobicContact CB-CB 4.22Å; Q1093-A1119 HydrophobicContact CG-CB 4.1Å |
| 1094 | L | 95.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.3 | 178.3 | 174.3 | 60 | 0 | 0 | 0 | 109.1 | L1069 F1084 L1087 L1118 A1119 L1120 D1121 | L1069-L1094 HydrophobicContact CB-CD1 4.09Å; L1069-L1094 HydrophobicContact CD2-CD1 3.9Å; L1069-L1094 HydrophobicContact CG-CD1 4.08Å; L1069-L1094 CarbonylContact O-C 3.28Å; L1069-L1094 WeakPolarHBondContact O-CA 3.49Å; F1084-L1094 HydrophobicContact CB-CD2 4.39Å; F1084-L1094 HydrophobicContact CD1-CD1 3.88Å; F1084-L1094 HydrophobicContact CD1-CD2 3.96Å; F1084-L1094 HydrophobicContact CD2-CD2 3.82Å; F1084-L1094 HydrophobicContact CE1-CD1 3.74Å; F1084-L1094 HydrophobicContact CE1-CD2 4.17Å; F1084-L1094 HydrophobicContact CE2-CD2 4.04Å; F1084-L1094 HydrophobicContact CG-CD2 3.78Å; F1084-L1094 HydrophobicContact CZ-CD1 4.29Å; F1084-L1094 HydrophobicContact CZ-CD2 4.21Å; L1087-L1094 HydrophobicContact CD1-CD1 4.2Å; L1087-L1094 HydrophobicContact CD1-CD2 4.17Å; L1094-L1118 HydrophobicContact CB-CD1 4.14Å; L1094-A1119 PolarHBondContact N-O 3.44Å; L1094-L1120 HydrophobicContact CB-CD1 3.96Å; L1094-L1120 HydrophobicContact CD2-CD1 3.84Å; L1094-L1120 HydrophobicContact CG-CD1 3.88Å; L1094-L1120 CarbonylContact O-C 3.42Å; L1094-L1120 WeakPolarHBondContact O-CA 3.46Å; L1094-D1121 PolarHBondContact O-N 3.3Å |
| 1095 | S | 97 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.7 | 174.7 | -58.5 | 0 | 0 | 0 | 0 | 109.3 | L1069 Y1070 L1071 D1121 | L1069-S1095 PolarHBondContact O-N 3.47Å; Y1070-S1095 WeakPolarHBondContact CA-O 3.45Å; Y1070-S1095 WeakPolarHBondContact CD2-OG 3.44Å; L1071-S1095 PolarHBondContact N-O 3.07Å; S1095-D1121 CarbonylContact C-O 3.38Å; S1095-D1121 WeakPolarHBondContact CA-O 3.36Å; S1095-D1121 WeakPolarHBondContact OG-CB 3.22Å |
| 1096 | L | 95.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 101.4 | 169.5 | 178.5 | 75.7 | 0 | 0 | 0 | 106.7 | L1054 L1071 A1073 L1079 F1084 F1104 D1121 L1122 N1125 | L1054-L1096 HydrophobicContact CD2-CD1 4.18Å; L1071-L1096 HydrophobicContact CB-CD1 3.9Å; L1071-L1096 HydrophobicContact CD1-CD1 4.26Å; A1073-L1096 HydrophobicContact CB-CD1 3.48Å; A1073-L1096 VanDerWaalsContact CB-CD1 3.48Å; A1073-L1096 HydrophobicContact CB-CG 4.38Å; L1079-L1096 HydrophobicContact CD1-CD2 3.66Å; L1079-L1096 HydrophobicContact CD2-CD2 3.8Å; L1079-L1096 HydrophobicContact CG-CD2 4.21Å; F1084-L1096 HydrophobicContact CZ-CD2 4.49Å; L1096-F1104 HydrophobicContact CD2-CE2 4.35Å; L1096-D1121 PolarHBondContact N-O 3.03Å; L1096-L1122 HydrophobicContact CB-CD2 3.93Å; L1096-N1125 PolarHBondContact O-ND2 3.18Å |
| 1097 | V | 95.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 163.7 | -169.2 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | Y1070 L1071 A1073 S1099 S1123 | Y1070-V1097 HydrophobicContact CD1-CG2 4.36Å; Y1070-V1097 HydrophobicContact CE1-CG2 3.49Å; Y1070-V1097 VanDerWaalsContact CE1-CG2 3.49Å; Y1070-V1097 HydrophobicContact CE2-CG1 4.43Å; Y1070-V1097 HydrophobicContact CE2-CG2 4.26Å; Y1070-V1097 VanDerWaalsContact CZ-CG2 3.45Å; Y1070-V1097 WeakPolarHBondContact OH-CG2 3.45Å; L1071-V1097 PolarHBondContact O-N 2.89Å; A1073-V1097 PolarHBondContact N-O 2.93Å; V1097-S1099 PolarHBondContact O-N 2.96Å; V1097-S1099 VanDerWaalsContact O-N 3.08Å; V1097-S1123 WeakPolarHBondContact CA-O 3.31Å |
| 1098 | N | 92.5 | Very high | 88.9 | Confident | 55 Ų | 55 | 39.1 Ų | 39.1 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 60.1 | 14.2 | 175.8 | -54.1 | -36.3 | 0 | 0 | 0 | 115.1 | D1072 V1074 N1124 | D1072-N1098 WeakPolarHBondContact OD1-CB 3.45Å; D1072-N1098 PolarHBondContact OD1-ND2 3.41Å; V1074-N1098 VanDerWaalsContact CA-O 3.26Å; V1074-N1098 WeakPolarHBondContact CA-O 3.3Å; V1074-N1098 HydrophobicContact CG2-CB 4.19Å; N1098-N1124 CarbonylContact C-O 3.52Å; N1098-N1124 WeakPolarHBondContact CA-O 3.05Å; N1098-N1124 PolarHBondContact N-O 3.42Å; N1098-N1124 VanDerWaalsContact OD1-CB 3.31Å; N1098-N1124 WeakPolarHBondContact OD1-CB 3.02Å; N1098-N1124 PolarHBondContact OD1-ND2 3.4Å |
| 1099 | S | 93.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | trans | -85.5 | 170.1 | -176 | 84.9 | 0 | 0 | 0 | 0 | 114.2 | A1073 V1097 V1101 N1125 | A1073-S1099 WeakPolarHBondContact O-CA 3.38Å; A1073-S1099 WeakPolarHBondContact O-CB 3.22Å; V1097-S1099 PolarHBondContact O-N 2.96Å; V1097-S1099 VanDerWaalsContact O-N 3.08Å; S1099-V1101 VanDerWaalsContact C-N 3.34Å; S1099-V1101 VanDerWaalsContact OG-CB 3.31Å; S1099-V1101 WeakPolarHBondContact OG-CB 3.43Å; S1099-V1101 VanDerWaalsContact OG-CG2 3.26Å; S1099-V1101 WeakPolarHBondContact OG-CG2 3.26Å; S1099-V1101 PolarHBondContact OG-N 3.45Å; S1099-N1125 VanDerWaalsContact CA-OD1 3.31Å; S1099-N1125 WeakPolarHBondContact CA-OD1 3.26Å; S1099-N1125 WeakPolarHBondContact CB-OD1 3.32Å; S1099-N1125 PolarHBondContact N-OD1 3.02Å; S1099-N1125 WeakPolarHBondContact O-CA 3.44Å; S1099-N1125 PolarHBondContact OG-OD1 2.97Å | ||
| 1100 | Q | 93.5 | Very high | 88.2 | Confident | 60 Ų | 60 | 38.2 Ų | 38.2 | 28% | 0.28 | 19% | 0.185 | S | C | . | . | trans | -93.4 | 8 | 172.5 | -50.8 | -52 | -50.5 | 0 | 0 | 112.7 | V1074 V1076 D1077 A1102 | V1074-Q1100 PolarHBondContact O-NE2 3.28Å; V1076-Q1100 CarbonylContact O-C 3.34Å; V1076-Q1100 WeakPolarHBondContact O-CA 3.48Å; V1076-Q1100 WeakPolarHBondContact O-CB 3.06Å; V1076-Q1100 PolarHBondContact O-N 3.25Å; D1077-Q1100 HydrophobicContact CB-CB 3.96Å; Q1100-A1102 PolarHBondContact O-N 2.89Å | ||
| 1101 | V | 93.1 | Very high | 88.3 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | trans | -61.3 | 118.9 | -178.7 | 173.8 | 0 | 0 | 0 | 0 | 109.8 | V1076 L1079 S1099 Y1103 R1126 L1127 | V1076-V1101 HydrophobicContact CG1-CG2 3.89Å; V1076-V1101 PolarHBondContact O-N 3.24Å; L1079-V1101 HydrophobicContact CD1-CB 4.24Å; L1079-V1101 HydrophobicContact CD1-CG1 3.49Å; L1079-V1101 VanDerWaalsContact CD1-CG1 3.49Å; L1079-V1101 HydrophobicContact CD1-CG2 3.79Å; L1079-V1101 HydrophobicContact CG-CG1 4.27Å; L1079-V1101 HydrophobicContact CG-CG2 3.86Å; S1099-V1101 VanDerWaalsContact C-N 3.34Å; S1099-V1101 VanDerWaalsContact OG-CB 3.31Å; S1099-V1101 WeakPolarHBondContact OG-CB 3.43Å; S1099-V1101 VanDerWaalsContact OG-CG2 3.26Å; S1099-V1101 WeakPolarHBondContact OG-CG2 3.26Å; S1099-V1101 PolarHBondContact OG-N 3.45Å; V1101-Y1103 WeakPolarHBondContact CG1-O 3.43Å; V1101-R1126 CarbonylContact O-C 3.6Å; V1101-R1126 VanDerWaalsContact O-C 3.22Å; V1101-R1126 WeakPolarHBondContact O-CA 3.34Å; V1101-R1126 PolarHBondContact O-N 2.76Å; V1101-L1127 HydrophobicContact CG1-CD2 3.78Å; V1101-L1127 PolarHBondContact O-N 3.45Å | ||
| 1102 | A | 90.2 | Very high | 88 | Confident | 43 Ų | 43 | 29.2 Ų | 29.2 | 36% | 0.355 | 15% | 0.152 | S | C | . | . | trans | -95.2 | -17.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1100 R1126 R1128 | Q1100-A1102 PolarHBondContact O-N 2.89Å; A1102-R1126 WeakPolarHBondContact CA-O 3.15Å; A1102-R1128 PolarHBondContact O-N 3.01Å; A1102-R1128 VanDerWaalsContact O-N 3.1Å | ||
| 1103 | Y | 87.8 | Confident | 87.1 | Confident | 146 Ų | 146 | 31.4 Ų | 31.4 | 57% | 0.573 | 16% | 0.164 | S | C | * | . | B | Isolated β-bridge | trans | -141.8 | 119.5 | -176.6 | -179.1 | -108.8 | 0 | 0 | 0 | 110.7 | V1101 P1106 | V1101-Y1103 WeakPolarHBondContact CG1-O 3.43Å; Y1103-P1106 VanDerWaalsContact OH-CD 3.26Å; Y1103-P1106 WeakPolarHBondContact OH-CD 3.41Å |
| 1104 | F | 88.4 | Confident | 86.3 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 1% | 0.013 | 16% | 0.161 | C | C | . | . | trans | -102.1 | 104.7 | 173.3 | -165.4 | -79 | 0 | 0 | 0 | 108.1 | L1079 F1084 L1096 I1108 F1109 L1122 L1127 L1130 | L1079-F1104 HydrophobicContact CD1-CD2 3.51Å; L1079-F1104 HydrophobicContact CD1-CE2 3.9Å; L1079-F1104 HydrophobicContact CD1-CG 4.34Å; F1084-F1104 HydrophobicContact CE2-CE2 4.27Å; F1084-F1104 HydrophobicContact CE2-CZ 4.26Å; L1096-F1104 HydrophobicContact CD2-CE2 4.35Å; F1104-I1108 HydrophobicContact CD1-CB 4.46Å; F1104-I1108 HydrophobicContact CD1-CD1 3.9Å; F1104-I1108 HydrophobicContact CD2-CD1 4.27Å; F1104-I1108 HydrophobicContact CE1-CB 3.79Å; F1104-I1108 HydrophobicContact CE1-CD1 3.76Å; F1104-I1108 HydrophobicContact CE1-CG1 4.37Å; F1104-I1108 HydrophobicContact CE1-CG2 3.7Å; F1104-I1108 HydrophobicContact CE2-CD1 4.14Å; F1104-I1108 HydrophobicContact CG-CD1 4.16Å; F1104-I1108 HydrophobicContact CZ-CB 4.24Å; F1104-I1108 HydrophobicContact CZ-CD1 3.89Å; F1104-I1108 HydrophobicContact CZ-CG2 3.7Å; F1104-F1109 AromaticContact CD1-CE2 3.63Å; F1104-F1109 HydrophobicContact CD1-CE2 3.63Å; F1104-F1109 AromaticContact CD1-CZ 3.94Å; F1104-F1109 HydrophobicContact CD1-CZ 3.94Å; F1104-F1109 HydrophobicContact CE1-CD2 4.29Å; F1104-F1109 HydrophobicContact CE1-CE1 4.35Å; F1104-F1109 AromaticContact CE1-CE2 3.49Å; F1104-F1109 HydrophobicContact CE1-CE2 3.49Å; F1104-F1109 VanDerWaalsContact CE1-CE2 3.49Å; F1104-F1109 AromaticContact CE1-CZ 3.51Å; F1104-F1109 HydrophobicContact CE1-CZ 3.51Å; F1104-F1109 HydrophobicContact CZ-CZ 4.46Å; F1104-L1122 HydrophobicContact CD2-CD1 3.88Å; F1104-L1122 HydrophobicContact CD2-CD2 3.96Å; F1104-L1122 HydrophobicContact CE2-CD1 4.16Å; F1104-L1122 HydrophobicContact CE2-CD2 3.71Å; F1104-L1122 HydrophobicContact CG-CD1 4.12Å; F1104-L1127 HydrophobicContact CB-CD2 3.84Å; F1104-L1130 HydrophobicContact CB-CD1 3.66Å; F1104-L1130 HydrophobicContact CD1-CD1 3.75Å; F1104-L1130 HydrophobicContact CG-CD1 3.94Å | ||
| 1105 | S | 85 | Confident | 85.7 | Confident | 15 Ų | 15 | 30.8 Ų | 30.8 | 11% | 0.105 | 16% | 0.161 | C | C | . | . | trans | -62.7 | 132.6 | -172.2 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | Q1107 I1108 | S1105-Q1107 PolarHBondContact O-N 3.27Å; S1105-Q1107 VanDerWaalsContact O-N 3.08Å; S1105-Q1107 WeakPolarHBondContact OG-CB 3.32Å; S1105-Q1107 PolarHBondContact OG-N 2.81Å; S1105-I1108 WeakPolarHBondContact O-CB 3.33Å; S1105-I1108 WeakPolarHBondContact O-CG1 3.25Å; S1105-I1108 PolarHBondContact O-N 2.93Å | ||
| 1106 | P | 76.3 | Confident | 84.5 | Confident | 23 Ų | 23 | 34.9 Ų | 34.9 | 15% | 0.149 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23.7 | 172.4 | -26.3 | 36.3 | 0 | 0 | 0 | 113.3 | Y1103 I1108 F1109 N1131 L1134 | Y1103-P1106 VanDerWaalsContact OH-CD 3.26Å; Y1103-P1106 WeakPolarHBondContact OH-CD 3.41Å; P1106-I1108 PolarHBondContact O-N 3.03Å; P1106-F1109 PolarHBondContact O-N 3.09Å; P1106-F1109 VanDerWaalsContact O-N 3.09Å; P1106-N1131 WeakPolarHBondContact CG-O 3.2Å; P1106-L1134 HydrophobicContact CB-CD1 3.56Å; P1106-L1134 HydrophobicContact CB-CG 4Å; P1106-L1134 HydrophobicContact CG-CD1 3.68Å; P1106-L1134 HydrophobicContact CG-CG 4.05Å |
| 1107 | Q | 80.1 | Confident | 83.9 | Confident | 117 Ų | 117 | 37.1 Ų | 37.1 | 55% | 0.547 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.7 | -24.5 | 175 | -65.4 | -179.7 | -22.4 | 0 | 0 | 112.7 | P1081 S1105 F1109 S1110 T1111 | P1081-Q1107 HydrophobicContact CB-CB 4Å; P1081-Q1107 HydrophobicContact CG-CB 4.26Å; P1081-Q1107 VanDerWaalsContact CG-OE1 3.28Å; S1105-Q1107 PolarHBondContact O-N 3.27Å; S1105-Q1107 VanDerWaalsContact O-N 3.08Å; S1105-Q1107 WeakPolarHBondContact OG-CB 3.32Å; S1105-Q1107 PolarHBondContact OG-N 2.81Å; Q1107-F1109 VanDerWaalsContact C-N 3.27Å; Q1107-F1109 PolarHBondContact O-N 3.47Å; Q1107-S1110 WeakPolarHBondContact O-CB 3.27Å; Q1107-S1110 PolarHBondContact O-N 3.38Å; Q1107-S1110 VanDerWaalsContact O-N 3.08Å; Q1107-S1110 PolarHBondContact O-OG 3.23Å; Q1107-T1111 PolarHBondContact O-N 2.87Å |
| 1108 | I | 84.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -37.9 | 174.9 | -63.9 | 167.5 | 0 | 0 | 0 | 110.4 | L1079 F1084 F1104 S1105 P1106 S1110 T1111 L1112 | L1079-I1108 HydrophobicContact CB-CD1 4.03Å; L1079-I1108 HydrophobicContact CD1-CD1 4.22Å; F1084-I1108 HydrophobicContact CD2-CG2 3.67Å; F1084-I1108 HydrophobicContact CE2-CG2 4.28Å; F1104-I1108 HydrophobicContact CD1-CB 4.46Å; F1104-I1108 HydrophobicContact CD1-CD1 3.9Å; F1104-I1108 HydrophobicContact CD2-CD1 4.27Å; F1104-I1108 HydrophobicContact CE1-CB 3.79Å; F1104-I1108 HydrophobicContact CE1-CD1 3.76Å; F1104-I1108 HydrophobicContact CE1-CG1 4.37Å; F1104-I1108 HydrophobicContact CE1-CG2 3.7Å; F1104-I1108 HydrophobicContact CE2-CD1 4.14Å; F1104-I1108 HydrophobicContact CG-CD1 4.16Å; F1104-I1108 HydrophobicContact CZ-CB 4.24Å; F1104-I1108 HydrophobicContact CZ-CD1 3.89Å; F1104-I1108 HydrophobicContact CZ-CG2 3.7Å; S1105-I1108 WeakPolarHBondContact O-CB 3.33Å; S1105-I1108 WeakPolarHBondContact O-CG1 3.25Å; S1105-I1108 PolarHBondContact O-N 2.93Å; P1106-I1108 PolarHBondContact O-N 3.03Å; I1108-S1110 PolarHBondContact O-N 2.95Å; I1108-T1111 PolarHBondContact O-N 3.11Å; I1108-T1111 PolarHBondContact O-OG1 3.34Å; I1108-L1112 HydrophobicContact CG2-CD1 4.48Å; I1108-L1112 PolarHBondContact O-N 3.42Å |
| 1109 | F | 78.9 | Confident | 83.5 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 2% | 0.022 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68 | -22.7 | 176.4 | -61.9 | -80.6 | 0 | 0 | 0 | 112.6 | F1104 P1106 Q1107 T1111 L1112 L1118 L1120 L1130 P1132 N1142 | F1104-F1109 AromaticContact CD1-CE2 3.63Å; F1104-F1109 HydrophobicContact CD1-CE2 3.63Å; F1104-F1109 AromaticContact CD1-CZ 3.94Å; F1104-F1109 HydrophobicContact CD1-CZ 3.94Å; F1104-F1109 HydrophobicContact CE1-CD2 4.29Å; F1104-F1109 HydrophobicContact CE1-CE1 4.35Å; F1104-F1109 AromaticContact CE1-CE2 3.49Å; F1104-F1109 HydrophobicContact CE1-CE2 3.49Å; F1104-F1109 VanDerWaalsContact CE1-CE2 3.49Å; F1104-F1109 AromaticContact CE1-CZ 3.51Å; F1104-F1109 HydrophobicContact CE1-CZ 3.51Å; F1104-F1109 HydrophobicContact CZ-CZ 4.46Å; P1106-F1109 PolarHBondContact O-N 3.09Å; P1106-F1109 VanDerWaalsContact O-N 3.09Å; Q1107-F1109 VanDerWaalsContact C-N 3.27Å; Q1107-F1109 PolarHBondContact O-N 3.47Å; F1109-T1111 VanDerWaalsContact C-N 3.3Å; F1109-L1112 HydrophobicContact CD1-CD1 4.47Å; F1109-L1118 HydrophobicContact CD1-CD2 4.37Å; F1109-L1118 HydrophobicContact CE1-CD2 4.19Å; F1109-L1120 HydrophobicContact CE1-CD2 3.93Å; F1109-L1120 HydrophobicContact CZ-CD2 3.84Å; F1109-L1130 HydrophobicContact CE2-CD1 4.18Å; F1109-L1130 HydrophobicContact CZ-CD1 4.32Å; F1109-P1132 HydrophobicContact CD1-CB 4.17Å; F1109-P1132 HydrophobicContact CD2-CB 3.87Å; F1109-P1132 HydrophobicContact CE1-CB 3.83Å; F1109-P1132 HydrophobicContact CE2-CB 3.52Å; F1109-P1132 HydrophobicContact CE2-CG 4.39Å; F1109-P1132 HydrophobicContact CG-CB 4.2Å; F1109-P1132 HydrophobicContact CZ-CB 3.51Å; F1109-P1132 HydrophobicContact CZ-CG 4.2Å; F1109-N1142 PolarHBondContact O-ND2 3.4Å |
| 1110 | S | 73.6 | Confident | 83.4 | Confident | 54 Ų | 54 | 34.7 Ų | 34.7 | 38% | 0.378 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -75.3 | -18.6 | 172.6 | 74.1 | 0 | 0 | 0 | 0 | 113.4 | Q1107 I1108 | Q1107-S1110 WeakPolarHBondContact O-CB 3.27Å; Q1107-S1110 PolarHBondContact O-N 3.38Å; Q1107-S1110 VanDerWaalsContact O-N 3.08Å; Q1107-S1110 PolarHBondContact O-OG 3.23Å; I1108-S1110 PolarHBondContact O-N 2.95Å |
| 1111 | T | 78.5 | Confident | 83.5 | Confident | 28 Ų | 28 | 33.2 Ų | 33.2 | 17% | 0.172 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -92.7 | -14.6 | 175.9 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | P1081 Q1107 I1108 F1109 N1113 | P1081-T1111 WeakPolarHBondContact O-CG2 3.2Å; P1081-T1111 PolarHBondContact O-OG1 3.01Å; Q1107-T1111 PolarHBondContact O-N 2.87Å; I1108-T1111 PolarHBondContact O-N 3.11Å; I1108-T1111 PolarHBondContact O-OG1 3.34Å; F1109-T1111 VanDerWaalsContact C-N 3.3Å; T1111-N1113 PolarHBondContact O-N 3.37Å; T1111-N1113 PolarHBondContact O-OD1 3.13Å |
| 1112 | L | 81 | Confident | 83.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -84.2 | 18.9 | 174.9 | -68.4 | 173.2 | 0 | 0 | 0 | 113.8 | F1084 L1087 I1108 F1109 H1114 V1115 L1118 T1146 | F1084-L1112 HydrophobicContact CB-CD2 3.71Å; L1087-L1112 HydrophobicContact CB-CD2 3.98Å; L1087-L1112 HydrophobicContact CD1-CD2 3.98Å; L1087-L1112 HydrophobicContact CG-CD2 4.41Å; I1108-L1112 HydrophobicContact CG2-CD1 4.48Å; I1108-L1112 PolarHBondContact O-N 3.42Å; F1109-L1112 HydrophobicContact CD1-CD1 4.47Å; L1112-H1114 PolarHBondContact O-N 3.03Å; L1112-V1115 HydrophobicContact CD2-CG2 4.47Å; L1112-V1115 WeakPolarHBondContact O-CB 3.46Å; L1112-V1115 PolarHBondContact O-N 2.99Å; L1112-L1118 HydrophobicContact CD1-CD2 3.84Å; L1112-T1146 PolarHBondContact O-OG1 2.8Å; L1112-T1146 VanDerWaalsContact O-OG1 3.1Å | ||
| 1113 | N | 73 | Confident | 83.8 | Confident | 45 Ų | 45 | 31.6 Ų | 31.6 | 24% | 0.241 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -5.1 | -174.3 | 64.6 | -27.6 | 0 | 0 | 0 | 115.8 | T1111 H1144 | T1111-N1113 PolarHBondContact O-N 3.37Å; T1111-N1113 PolarHBondContact O-OD1 3.13Å; N1113-H1144 HydrophobicContact CB-CB 3.48Å; N1113-H1144 VanDerWaalsContact CB-CB 3.48Å |
| 1114 | H | 77.6 | Confident | 84.1 | Confident | 46 Ų | 46 | 27.8 Ų | 27.8 | 21% | 0.213 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 5.2 | 174 | -58.1 | 78.8 | 0 | 0 | 0 | 112.7 | R323 R1088 G1089 L1112 | R323-H1114 PolarHBondContact NE-CE1 2.92Å; R323-H1114 PolarHBondContact NE-NE2 2.97Å; R323-H1114 PolarHBondContact NH2-CE1 3.05Å; R323-H1114 PolarHBondContact NH2-NE2 2.95Å; R323-H1114 VanDerWaalsContact NH2-NE2 3.15Å; R1088-H1114 CarbonylContact C-O 3.6Å; R1088-H1114 WeakPolarHBondContact CA-O 3.46Å; R1088-H1114 HydrophobicContact CB-CB 3.58Å; G1089-H1114 PolarHBondContact N-O 3Å; L1112-H1114 PolarHBondContact O-N 3.03Å |
| 1115 | V | 82.4 | Confident | 84.4 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 121.1 | 174.6 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | L1087 G1089 V1092 L1112 Y1117 L1118 T1146 | L1087-V1115 HydrophobicContact CB-CG2 4.08Å; G1089-V1115 WeakPolarHBondContact O-CA 3.48Å; V1092-V1115 HydrophobicContact CB-CG1 3.78Å; V1092-V1115 HydrophobicContact CB-CG2 4.22Å; V1092-V1115 HydrophobicContact CG2-CG1 3.92Å; V1092-V1115 HydrophobicContact CG2-CG2 3.88Å; L1112-V1115 HydrophobicContact CD2-CG2 4.47Å; L1112-V1115 WeakPolarHBondContact O-CB 3.46Å; L1112-V1115 PolarHBondContact O-N 2.99Å; V1115-Y1117 WeakPolarHBondContact CG1-O 3.09Å; V1115-L1118 HydrophobicContact CG1-CB 4.21Å; V1115-L1118 HydrophobicContact CG1-CD1 4.43Å; V1115-T1146 HydrophobicContact CB-CG2 4.4Å; V1115-T1146 HydrophobicContact CG1-CG2 4.41Å; V1115-T1146 WeakPolarHBondContact O-CA 3.41Å; V1115-T1146 WeakPolarHBondContact O-CB 3.16Å; V1115-T1146 WeakPolarHBondContact O-CG2 3.34Å; V1115-T1146 PolarHBondContact O-OG1 3.32Å |
| 1116 | R | 73.2 | Confident | 84.8 | Confident | 87 Ų | 87 | 33.9 Ų | 33.9 | 33% | 0.328 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -45.9 | 179.8 | -178.7 | 179.7 | 176.2 | 142.1 | 1.7 | 112.3 | G1089 Y1090 T1146 I1147 | G1089-R1116 PolarHBondContact O-N 3.04Å; Y1090-R1116 WeakPolarHBondContact O-CB 3.22Å; R1116-T1146 WeakPolarHBondContact O-CA 3.31Å; R1116-I1147 PolarHBondContact O-N 2.98Å |
| 1117 | Y | 83.2 | Confident | 85.6 | Confident | 47 Ų | 47 | 32.9 Ų | 32.9 | 18% | 0.184 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.8 | 176.7 | -65.4 | -77.3 | 0 | 0 | 0 | 110.1 | Y1090 Y1091 V1092 V1115 I1147 L1149 | Y1090-Y1117 HydrophobicContact CD1-CD2 4.04Å; Y1090-Y1117 HydrophobicContact CD1-CE2 4.46Å; Y1090-Y1117 HydrophobicContact CD2-CD2 4.47Å; Y1090-Y1117 HydrophobicContact CD2-CE2 4.43Å; Y1090-Y1117 AromaticContact CE1-CD2 3.68Å; Y1090-Y1117 HydrophobicContact CE1-CD2 3.68Å; Y1090-Y1117 AromaticContact CE1-CE2 3.75Å; Y1090-Y1117 HydrophobicContact CE1-CE2 3.75Å; Y1090-Y1117 HydrophobicContact CE2-CD2 4.14Å; Y1090-Y1117 AromaticContact CE2-CE2 3.71Å; Y1090-Y1117 HydrophobicContact CE2-CE2 3.71Å; Y1090-Y1117 HydrophobicContact CG-CD2 4.42Å; Y1090-Y1117 AromaticContact CZ-CD2 3.74Å; Y1090-Y1117 AromaticContact CZ-CE2 3.32Å; Y1090-Y1117 WeakPolarHBondContact O-CB 3.48Å; Y1090-Y1117 WeakPolarHBondContact O-CD2 3.11Å; Y1090-Y1117 PolarHBondContact O-N 2.99Å; Y1090-Y1117 VanDerWaalsContact OH-CE2 3.31Å; Y1090-Y1117 WeakPolarHBondContact OH-CE2 3.47Å; Y1091-Y1117 CarbonylContact C-O 3.46Å; Y1091-Y1117 WeakPolarHBondContact CA-O 3.19Å; V1092-Y1117 PolarHBondContact N-O 3.32Å; V1115-Y1117 WeakPolarHBondContact CG1-O 3.09Å; Y1117-I1147 WeakPolarHBondContact CA-O 3.27Å; Y1117-I1147 HydrophobicContact CD1-CB 3.81Å; Y1117-I1147 HydrophobicContact CD1-CD1 4.11Å; Y1117-I1147 HydrophobicContact CD1-CG2 4.06Å; Y1117-I1147 HydrophobicContact CE1-CB 4.07Å; Y1117-I1147 HydrophobicContact CE1-CD1 3.48Å; Y1117-I1147 VanDerWaalsContact CE1-CD1 3.48Å; Y1117-I1147 HydrophobicContact CE1-CG1 4.35Å; Y1117-I1147 HydrophobicContact CE1-CG2 4.21Å; Y1117-L1149 HydrophobicContact CD1-CD1 3.56Å; Y1117-L1149 HydrophobicContact CD1-CD2 3.81Å; Y1117-L1149 HydrophobicContact CD1-CG 3.71Å; Y1117-L1149 HydrophobicContact CE1-CD1 4.5Å; Y1117-L1149 HydrophobicContact CE1-CD2 4.25Å; Y1117-L1149 HydrophobicContact CG-CD1 3.88Å; Y1117-L1149 HydrophobicContact CG-CG 4.39Å |
| 1118 | L | 87.9 | Confident | 86 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 129.4 | -178.3 | -178.6 | 66.6 | 0 | 0 | 0 | 110.1 | V1092 L1094 F1109 L1112 V1115 L1120 T1146 I1147 L1148 L1149 | V1092-L1118 WeakPolarHBondContact O-CA 3.29Å; L1094-L1118 HydrophobicContact CB-CD1 4.14Å; F1109-L1118 HydrophobicContact CD1-CD2 4.37Å; F1109-L1118 HydrophobicContact CE1-CD2 4.19Å; L1112-L1118 HydrophobicContact CD1-CD2 3.84Å; V1115-L1118 HydrophobicContact CG1-CB 4.21Å; V1115-L1118 HydrophobicContact CG1-CD1 4.43Å; L1118-L1120 HydrophobicContact CG-CB 4.49Å; L1118-T1146 HydrophobicContact CB-CG2 3.76Å; L1118-T1146 HydrophobicContact CD2-CG2 4.39Å; L1118-I1147 PolarHBondContact N-O 3.44Å; L1118-L1148 HydrophobicContact CB-CD1 4.41Å; L1118-L1148 HydrophobicContact CD2-CD1 4.14Å; L1118-L1148 HydrophobicContact CG-CD1 4.17Å; L1118-L1148 WeakPolarHBondContact O-CA 3.32Å; L1118-L1149 PolarHBondContact O-N 2.66Å |
| 1119 | A | 90.8 | Very high | 86 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y1091 V1092 Q1093 L1094 D1150 | Y1091-A1119 WeakPolarHBondContact OH-CB 3.4Å; V1092-A1119 PolarHBondContact O-N 3.43Å; Q1093-A1119 CarbonylContact C-O 3.41Å; Q1093-A1119 WeakPolarHBondContact CA-O 3.43Å; Q1093-A1119 HydrophobicContact CB-CB 4.22Å; Q1093-A1119 HydrophobicContact CG-CB 4.1Å; L1094-A1119 PolarHBondContact N-O 3.44Å; A1119-D1150 HydrophobicContact CB-CB 3.94Å |
| 1120 | L | 92.2 | Very high | 86.4 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 120.5 | -170.5 | -169.5 | 69 | 0 | 0 | 0 | 111.7 | L1094 F1109 L1118 L1122 L1148 D1150 I1151 D1152 | L1094-L1120 HydrophobicContact CB-CD1 3.96Å; L1094-L1120 HydrophobicContact CD2-CD1 3.84Å; L1094-L1120 HydrophobicContact CG-CD1 3.88Å; L1094-L1120 CarbonylContact O-C 3.42Å; L1094-L1120 WeakPolarHBondContact O-CA 3.46Å; F1109-L1120 HydrophobicContact CE1-CD2 3.93Å; F1109-L1120 HydrophobicContact CZ-CD2 3.84Å; L1118-L1120 HydrophobicContact CG-CB 4.49Å; L1120-L1122 HydrophobicContact CD1-CD2 4.22Å; L1120-L1122 HydrophobicContact CD1-CG 4.43Å; L1120-L1122 HydrophobicContact CD2-CD1 3.72Å; L1120-L1122 HydrophobicContact CD2-CD2 4.47Å; L1120-L1122 HydrophobicContact CD2-CG 3.97Å; L1120-L1122 HydrophobicContact CG-CD1 4.23Å; L1120-L1122 HydrophobicContact CG-CD2 4.22Å; L1120-L1122 HydrophobicContact CG-CG 3.89Å; L1120-L1148 HydrophobicContact CB-CD1 3.86Å; L1120-D1150 PolarHBondContact N-O 2.83Å; L1120-I1151 HydrophobicContact CB-CG1 4.35Å; L1120-I1151 HydrophobicContact CD2-CD1 4.14Å; L1120-I1151 HydrophobicContact CD2-CG1 4.48Å; L1120-I1151 CarbonylContact O-C 3.53Å; L1120-I1151 WeakPolarHBondContact O-CA 3.37Å; L1120-D1152 PolarHBondContact O-N 3.38Å |
| 1121 | D | 95.2 | Very high | 86.6 | Confident | 28 Ų | 28 | 34.5 Ų | 34.5 | 15% | 0.15 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 109.5 | 172.7 | -179.7 | 2.5 | 0 | 0 | 0 | 109.6 | L1094 S1095 L1096 S1123 D1152 | L1094-D1121 PolarHBondContact O-N 3.3Å; S1095-D1121 CarbonylContact C-O 3.38Å; S1095-D1121 WeakPolarHBondContact CA-O 3.36Å; S1095-D1121 WeakPolarHBondContact OG-CB 3.22Å; L1096-D1121 PolarHBondContact N-O 3.03Å; D1121-S1123 WeakPolarHBondContact OD1-CB 3.36Å; D1121-S1123 PolarHBondContact OD1-N 2.82Å; D1121-S1123 PolarHBondContact OD1-OG 3.05Å; D1121-D1152 HydrophobicContact CB-CB 4.41Å |
| 1122 | L | 94.9 | Very high | 86.4 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | trans | -115.3 | 30.5 | 173.9 | -57.3 | 177.5 | 0 | 0 | 0 | 110.7 | L1096 F1104 L1120 N1125 L1127 L1130 D1152 L1153 N1156 | L1096-L1122 HydrophobicContact CB-CD2 3.93Å; F1104-L1122 HydrophobicContact CD2-CD1 3.88Å; F1104-L1122 HydrophobicContact CD2-CD2 3.96Å; F1104-L1122 HydrophobicContact CE2-CD1 4.16Å; F1104-L1122 HydrophobicContact CE2-CD2 3.71Å; F1104-L1122 HydrophobicContact CG-CD1 4.12Å; L1120-L1122 HydrophobicContact CD1-CD2 4.22Å; L1120-L1122 HydrophobicContact CD1-CG 4.43Å; L1120-L1122 HydrophobicContact CD2-CD1 3.72Å; L1120-L1122 HydrophobicContact CD2-CD2 4.47Å; L1120-L1122 HydrophobicContact CD2-CG 3.97Å; L1120-L1122 HydrophobicContact CG-CD1 4.23Å; L1120-L1122 HydrophobicContact CG-CD2 4.22Å; L1120-L1122 HydrophobicContact CG-CG 3.89Å; L1122-N1125 WeakPolarHBondContact CA-ND2 3.35Å; L1122-N1125 PolarHBondContact O-ND2 3.21Å; L1122-L1127 HydrophobicContact CB-CD1 3.81Å; L1122-L1127 HydrophobicContact CD1-CD1 3.8Å; L1122-L1127 HydrophobicContact CG-CD1 4.39Å; L1122-L1130 HydrophobicContact CD1-CD1 4.19Å; L1122-L1130 HydrophobicContact CD1-CD2 4.05Å; L1122-D1152 CarbonylContact C-O 3.59Å; L1122-D1152 WeakPolarHBondContact CA-O 3.47Å; L1122-D1152 PolarHBondContact N-O 3.09Å; L1122-L1153 HydrophobicContact CB-CD2 4.23Å; L1122-N1156 PolarHBondContact O-ND2 3.35Å | ||
| 1123 | S | 94 | Very high | 85.5 | Confident | 10 Ų | 10 | 34.1 Ų | 34.1 | 7% | 0.07 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 157 | 178.2 | 64.5 | 0 | 0 | 0 | 0 | 112.8 | V1097 D1121 N1125 D1152 R1154 | V1097-S1123 WeakPolarHBondContact CA-O 3.31Å; D1121-S1123 WeakPolarHBondContact OD1-CB 3.36Å; D1121-S1123 PolarHBondContact OD1-N 2.82Å; D1121-S1123 PolarHBondContact OD1-OG 3.05Å; S1123-N1125 VanDerWaalsContact C-N 3.33Å; S1123-N1125 PolarHBondContact O-N 2.92Å; S1123-N1125 PolarHBondContact O-ND2 2.94Å; S1123-D1152 PolarHBondContact N-O 3.11Å; S1123-R1154 CarbonylContact C-O 3.45Å; S1123-R1154 VanDerWaalsContact CA-O 3.23Å; S1123-R1154 WeakPolarHBondContact CA-O 3.41Å |
| 1124 | N | 94.4 | Very high | 84.8 | Confident | 67 Ų | 67 | 37.8 Ų | 37.8 | 36% | 0.358 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 36.4 | 179.1 | -58 | -25 | 0 | 0 | 0 | 114.4 | N1098 R1154 N1155 | N1098-N1124 CarbonylContact C-O 3.52Å; N1098-N1124 WeakPolarHBondContact CA-O 3.05Å; N1098-N1124 PolarHBondContact N-O 3.42Å; N1098-N1124 VanDerWaalsContact OD1-CB 3.31Å; N1098-N1124 WeakPolarHBondContact OD1-CB 3.02Å; N1098-N1124 PolarHBondContact OD1-ND2 3.4Å; N1124-R1154 PolarHBondContact N-O 3.39Å; N1124-N1155 WeakPolarHBondContact OD1-CB 3.4Å; N1124-N1155 PolarHBondContact OD1-ND2 3.47Å |
| 1125 | N | 94.9 | Very high | 83.6 | Confident | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -109.6 | -166.4 | 175.2 | -64.1 | -64.1 | 0 | 0 | 0 | 111.5 | L1096 S1099 L1122 S1123 L1127 N1156 | L1096-N1125 PolarHBondContact O-ND2 3.18Å; S1099-N1125 VanDerWaalsContact CA-OD1 3.31Å; S1099-N1125 WeakPolarHBondContact CA-OD1 3.26Å; S1099-N1125 WeakPolarHBondContact CB-OD1 3.32Å; S1099-N1125 PolarHBondContact N-OD1 3.02Å; S1099-N1125 WeakPolarHBondContact O-CA 3.44Å; S1099-N1125 PolarHBondContact OG-OD1 2.97Å; L1122-N1125 WeakPolarHBondContact CA-ND2 3.35Å; L1122-N1125 PolarHBondContact O-ND2 3.21Å; S1123-N1125 VanDerWaalsContact C-N 3.33Å; S1123-N1125 PolarHBondContact O-N 2.92Å; S1123-N1125 PolarHBondContact O-ND2 2.94Å; N1125-L1127 HydrophobicContact CB-CG 4.21Å; N1125-N1156 WeakPolarHBondContact CA-OD1 3.42Å; N1125-N1156 WeakPolarHBondContact CB-OD1 3.13Å; N1125-N1156 PolarHBondContact O-OD1 2.86Å |
| 1126 | R | 94.1 | Very high | 82.3 | Confident | 137 Ų | 137 | 41 Ų | 41 | 52% | 0.517 | 19% | 0.194 | S | C | . | . | trans | -113.3 | 23 | 176.4 | -65.3 | -165 | 173.1 | 175.2 | 8.8 | 113.2 | V1101 A1102 R1128 N1156 | V1101-R1126 CarbonylContact O-C 3.6Å; V1101-R1126 VanDerWaalsContact O-C 3.22Å; V1101-R1126 WeakPolarHBondContact O-CA 3.34Å; V1101-R1126 PolarHBondContact O-N 2.76Å; A1102-R1126 WeakPolarHBondContact CA-O 3.15Å; R1126-R1128 PolarHBondContact O-N 3.35Å; R1126-N1156 PolarHBondContact N-OD1 2.83Å | ||
| 1127 | L | 92.2 | Very high | 81.4 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | trans | -60.1 | 127.3 | -174.7 | -62.9 | 172.9 | 0 | 0 | 0 | 110.4 | V1101 F1104 L1122 N1125 L1153 N1156 L1157 I1158 | V1101-L1127 HydrophobicContact CG1-CD2 3.78Å; V1101-L1127 PolarHBondContact O-N 3.45Å; F1104-L1127 HydrophobicContact CB-CD2 3.84Å; L1122-L1127 HydrophobicContact CB-CD1 3.81Å; L1122-L1127 HydrophobicContact CD1-CD1 3.8Å; L1122-L1127 HydrophobicContact CG-CD1 4.39Å; N1125-L1127 HydrophobicContact CB-CG 4.21Å; L1127-L1153 HydrophobicContact CD1-CD2 4.46Å; L1127-N1156 HydrophobicContact CB-CB 4.3Å; L1127-N1156 VanDerWaalsContact CB-OD1 3.23Å; L1127-N1156 WeakPolarHBondContact CB-OD1 3.33Å; L1127-N1156 WeakPolarHBondContact CG-OD1 3.3Å; L1127-N1156 PolarHBondContact N-OD1 3.24Å; L1127-L1157 CarbonylContact O-C 3.47Å; L1127-L1157 PolarHBondContact O-N 3.19Å; L1127-L1157 VanDerWaalsContact O-N 3.11Å; L1127-I1158 PolarHBondContact O-N 2.95Å | ||
| 1128 | R | 89.2 | Confident | 79.8 | Confident | 146 Ų | 146 | 40.8 Ų | 40.8 | 55% | 0.551 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -92 | -25.4 | 175 | -64.8 | -171.5 | -173.6 | -163 | 2 | 112.8 | A1102 R1126 L1157 H1159 | A1102-R1128 PolarHBondContact O-N 3.01Å; A1102-R1128 VanDerWaalsContact O-N 3.1Å; R1126-R1128 PolarHBondContact O-N 3.35Å; R1128-L1157 WeakPolarHBondContact CA-O 3.23Å; R1128-H1159 PolarHBondContact O-N 3.41Å |
| 1129 | S | 85.8 | Confident | 77.8 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -162 | 153.6 | 178.4 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | K1163 M1164 | S1129-K1163 WeakPolarHBondContact OG-CB 3.43Å; S1129-M1164 WeakPolarHBondContact OG-CE 3.22Å |
| 1130 | L | 85.6 | Confident | 75.9 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | trans | -146.2 | 118.8 | 174.1 | 177 | 76.9 | 0 | 0 | 0 | 107.1 | F1104 F1109 L1122 P1132 I1151 L1153 M1164 W1166 | F1104-L1130 HydrophobicContact CB-CD1 3.66Å; F1104-L1130 HydrophobicContact CD1-CD1 3.75Å; F1104-L1130 HydrophobicContact CG-CD1 3.94Å; F1109-L1130 HydrophobicContact CE2-CD1 4.18Å; F1109-L1130 HydrophobicContact CZ-CD1 4.32Å; L1122-L1130 HydrophobicContact CD1-CD1 4.19Å; L1122-L1130 HydrophobicContact CD1-CD2 4.05Å; L1130-P1132 HydrophobicContact CD2-CG 3.99Å; L1130-P1132 HydrophobicContact CG-CG 3.98Å; L1130-I1151 HydrophobicContact CD2-CD1 3.27Å; L1130-L1153 HydrophobicContact CD2-CD1 4.45Å; L1130-L1153 HydrophobicContact CD2-CD2 3.81Å; L1130-M1164 WeakPolarHBondContact O-CE 3.44Å; L1130-W1166 HydrophobicContact CD2-CZ2 4.44Å; L1130-W1166 PolarHBondContact O-NE1 3.16Å | ||
| 1131 | N | 78.8 | Confident | 73.8 | Confident | 41 Ų | 41 | 42.9 Ų | 42.9 | 22% | 0.219 | 22% | 0.216 | C | C | . | . | trans | -122.2 | 98.8 | 166.5 | -175.5 | -13.2 | 0 | 0 | 0 | 107.3 | P1106 F1133 | P1106-N1131 WeakPolarHBondContact CG-O 3.2Å; N1131-F1133 PolarHBondContact O-N 3.36Å; N1131-F1133 PolarHBondContact OD1-N 2.87Å | ||
| 1132 | P | 73.3 | Confident | 71.7 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.032 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -72 | -8.4 | -177.6 | -7 | 21.6 | 0 | 0 | 0 | 112.8 | F1109 L1130 W1166 | F1109-P1132 HydrophobicContact CD1-CB 4.17Å; F1109-P1132 HydrophobicContact CD2-CB 3.87Å; F1109-P1132 HydrophobicContact CE1-CB 3.83Å; F1109-P1132 HydrophobicContact CE2-CB 3.52Å; F1109-P1132 HydrophobicContact CE2-CG 4.39Å; F1109-P1132 HydrophobicContact CG-CB 4.2Å; F1109-P1132 HydrophobicContact CZ-CB 3.51Å; F1109-P1132 HydrophobicContact CZ-CG 4.2Å; L1130-P1132 HydrophobicContact CD2-CG 3.99Å; L1130-P1132 HydrophobicContact CG-CG 3.98Å; P1132-W1166 HydrophobicContact CG-CH2 4.41Å; P1132-W1166 HydrophobicContact CG-CZ2 4.26Å |
| 1133 | F | 61.9 | Low | 69.6 | Low | 15 Ų | 15 | 43.6 Ų | 43.6 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | trans | -139.8 | 53.5 | -157.3 | -46.9 | -61.9 | 0 | 0 | 0 | 112.9 | N1131 V1135 I1140 L1148 W1166 | N1131-F1133 PolarHBondContact O-N 3.36Å; N1131-F1133 PolarHBondContact OD1-N 2.87Å; F1133-V1135 PolarHBondContact O-N 3.49Å; F1133-I1140 HydrophobicContact CB-CG2 4.3Å; F1133-I1140 HydrophobicContact CD1-CG2 3.03Å; F1133-I1140 HydrophobicContact CD2-CB 4.48Å; F1133-I1140 HydrophobicContact CD2-CD1 3.65Å; F1133-I1140 HydrophobicContact CD2-CG1 4.32Å; F1133-I1140 HydrophobicContact CD2-CG2 3.46Å; F1133-I1140 VanDerWaalsContact CD2-CG2 3.46Å; F1133-I1140 HydrophobicContact CE1-CB 4.27Å; F1133-I1140 HydrophobicContact CE1-CG2 2.91Å; F1133-I1140 HydrophobicContact CE2-CB 4.18Å; F1133-I1140 HydrophobicContact CE2-CD1 3.41Å; F1133-I1140 VanDerWaalsContact CE2-CD1 3.41Å; F1133-I1140 HydrophobicContact CE2-CG1 4.23Å; F1133-I1140 HydrophobicContact CE2-CG2 3.3Å; F1133-I1140 HydrophobicContact CG-CD1 4.47Å; F1133-I1140 HydrophobicContact CG-CG2 3.3Å; F1133-I1140 HydrophobicContact CZ-CB 4.04Å; F1133-I1140 HydrophobicContact CZ-CD1 4.12Å; F1133-I1140 HydrophobicContact CZ-CG2 3Å; F1133-L1148 HydrophobicContact CE1-CB 4.34Å; F1133-L1148 HydrophobicContact CE2-CD2 3.83Å; F1133-L1148 HydrophobicContact CZ-CB 3.66Å; F1133-L1148 HydrophobicContact CZ-CD2 3.43Å; F1133-L1148 VanDerWaalsContact CZ-CD2 3.43Å; F1133-L1148 HydrophobicContact CZ-CG 4.18Å; F1133-W1166 HydrophobicContact CD2-CD2 4.48Å; F1133-W1166 HydrophobicContact CD2-CE3 4.27Å; F1133-W1166 HydrophobicContact CE2-CE3 4.14Å; F1133-W1166 HydrophobicContact CE2-CZ3 4.3Å | ||
| 1134 | L | 58.2 | Low | 67.7 | Low | 122 Ų | 122 | 45.1 Ų | 45.1 | 64% | 0.639 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | -15 | 179.1 | -77.7 | 172.9 | 0 | 0 | 0 | 114.9 | P1106 | P1106-L1134 HydrophobicContact CB-CD1 3.56Å; P1106-L1134 HydrophobicContact CB-CG 4Å; P1106-L1134 HydrophobicContact CG-CD1 3.68Å; P1106-L1134 HydrophobicContact CG-CG 4.05Å |
| 1135 | V | 53.7 | Low | 65.9 | Low | 94 Ų | 94 | 42.3 Ų | 42.3 | 57% | 0.57 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -129.3 | -8.9 | -165.5 | -161.5 | 0 | 0 | 0 | 0 | 114.3 | F1133 P1143 | F1133-V1135 PolarHBondContact O-N 3.49Å; V1135-P1143 HydrophobicContact CB-CG 4.21Å; V1135-P1143 HydrophobicContact CG2-CG 4.37Å |
| 1136 | T | 53.7 | Low | 64.7 | Low | 23 Ų | 23 | 42.1 Ų | 42.1 | 14% | 0.141 | 21% | 0.214 | C | C | . | . | trans | -128.8 | 148.2 | -170.4 | 54.4 | 0 | 0 | 0 | 0 | 114 | I1141 | T1136-I1141 VanDerWaalsContact CB-O 3.25Å; T1136-I1141 WeakPolarHBondContact CB-O 3.44Å; T1136-I1141 VanDerWaalsContact CG2-O 3.29Å; T1136-I1141 WeakPolarHBondContact CG2-O 3.27Å; T1136-I1141 PolarHBondContact OG1-O 2.91Å | ||
| 1137 | N | 54.3 | Low | 63.7 | Low | 91 Ų | 91 | 37.2 Ų | 37.2 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -89.8 | 163.4 | 167.3 | -77.5 | -34.7 | 0 | 0 | 0 | 110 | P1139 | N1137-P1139 VanDerWaalsContact O-O 3.11Š|
| 1138 | V | 49.9 | Very low | 63.2 | Low | 38 Ų | 38 | 37.5 Ų | 37.5 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 142.6 | -179.3 | -170.2 | 0 | 0 | 0 | 0 | 111.3 | I1140 K1169 Y1173 | V1138-I1140 HydrophobicContact CB-CG1 4.04Å; V1138-I1140 HydrophobicContact CG1-CG1 3.88Å; V1138-I1140 HydrophobicContact CG2-CD1 4.08Å; V1138-I1140 HydrophobicContact CG2-CG1 3.58Å; V1138-K1169 HydrophobicContact CG2-CB 3.48Å; V1138-K1169 VanDerWaalsContact CG2-CB 3.48Å; V1138-Y1173 HydrophobicContact CG1-CD1 3.7Å; V1138-Y1173 HydrophobicContact CG1-CD2 3.9Å; V1138-Y1173 HydrophobicContact CG1-CG 3.28Å |
| 1139 | P | 47.2 | Very low | 62.7 | Low | 32 Ų | 32 | 32.9 Ų | 32.9 | 21% | 0.208 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -57.9 | 131.6 | 6.5 | 23.1 | -33.5 | 0 | 0 | 0 | 110.6 | N1137 I1141 Y1173 | N1137-P1139 VanDerWaalsContact O-O 3.11Å; P1139-I1141 PolarHBondContact O-N 3.16Å; P1139-Y1173 HydrophobicContact CB-CD2 4.26Å; P1139-Y1173 HydrophobicContact CB-CE1 4.2Å; P1139-Y1173 HydrophobicContact CB-CE2 3.58Å; P1139-Y1173 HydrophobicContact CG-CE2 4.33Å |
| 1140 | I | 50.6 | Low | 62.7 | Low | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 105 | -167.5 | -63.2 | -177.5 | 0 | 0 | 0 | 110.3 | F1133 V1138 I1147 L1148 W1166 W1170 | F1133-I1140 HydrophobicContact CB-CG2 4.3Å; F1133-I1140 HydrophobicContact CD1-CG2 3.03Å; F1133-I1140 HydrophobicContact CD2-CB 4.48Å; F1133-I1140 HydrophobicContact CD2-CD1 3.65Å; F1133-I1140 HydrophobicContact CD2-CG1 4.32Å; F1133-I1140 HydrophobicContact CD2-CG2 3.46Å; F1133-I1140 VanDerWaalsContact CD2-CG2 3.46Å; F1133-I1140 HydrophobicContact CE1-CB 4.27Å; F1133-I1140 HydrophobicContact CE1-CG2 2.91Å; F1133-I1140 HydrophobicContact CE2-CB 4.18Å; F1133-I1140 HydrophobicContact CE2-CD1 3.41Å; F1133-I1140 VanDerWaalsContact CE2-CD1 3.41Å; F1133-I1140 HydrophobicContact CE2-CG1 4.23Å; F1133-I1140 HydrophobicContact CE2-CG2 3.3Å; F1133-I1140 HydrophobicContact CG-CD1 4.47Å; F1133-I1140 HydrophobicContact CG-CG2 3.3Å; F1133-I1140 HydrophobicContact CZ-CB 4.04Å; F1133-I1140 HydrophobicContact CZ-CD1 4.12Å; F1133-I1140 HydrophobicContact CZ-CG2 3Å; V1138-I1140 HydrophobicContact CB-CG1 4.04Å; V1138-I1140 HydrophobicContact CG1-CG1 3.88Å; V1138-I1140 HydrophobicContact CG2-CD1 4.08Å; V1138-I1140 HydrophobicContact CG2-CG1 3.58Å; I1140-I1147 WeakPolarHBondContact O-CA 3.26Å; I1140-L1148 PolarHBondContact O-N 3.12Å; I1140-W1166 HydrophobicContact CD1-CE3 4.06Å; I1140-W1170 HydrophobicContact CD1-CB 3.8Å; I1140-W1170 HydrophobicContact CD1-CG 3.56Å; I1140-W1170 HydrophobicContact CG1-CG 4.43Å |
| 1141 | I | 47.5 | Very low | 62.9 | Low | 13 Ų | 13 | 33.5 Ų | 33.5 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -111.3 | 130.8 | 169.1 | -44.9 | 177.1 | 0 | 0 | 0 | 105.7 | H394 T1136 P1139 T1146 I1147 | H394-I1141 WeakPolarHBondContact NE2-CG2 3.22Å; T1136-I1141 VanDerWaalsContact CB-O 3.25Å; T1136-I1141 WeakPolarHBondContact CB-O 3.44Å; T1136-I1141 VanDerWaalsContact CG2-O 3.29Å; T1136-I1141 WeakPolarHBondContact CG2-O 3.27Å; T1136-I1141 PolarHBondContact OG1-O 2.91Å; P1139-I1141 PolarHBondContact O-N 3.16Å; I1141-T1146 CarbonylContact C-O 3.41Å; I1141-T1146 WeakPolarHBondContact CA-O 3.06Å; I1141-I1147 HydrophobicContact CG1-CG1 4.14Å |
| 1142 | N | 52.5 | Low | 63.5 | Low | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | trans | -57.9 | 171.5 | 161.5 | 74.9 | -2.6 | 0 | 0 | 0 | 108.7 | F1109 H1144 G1145 T1146 | F1109-N1142 PolarHBondContact O-ND2 3.4Å; N1142-H1144 PolarHBondContact O-N 3.3Å; N1142-H1144 VanDerWaalsContact OD1-CA 3.26Å; N1142-H1144 WeakPolarHBondContact OD1-CA 3.06Å; N1142-H1144 WeakPolarHBondContact OD1-CB 3.29Å; N1142-H1144 PolarHBondContact OD1-N 3.25Å; N1142-G1145 PolarHBondContact O-N 3.49Å; N1142-G1145 PolarHBondContact OD1-N 2.02Å; N1142-G1145 VanDerWaalsContact OD1-N 3.15Å; N1142-T1146 VanDerWaalsContact CG-CB 3.41Å; N1142-T1146 PolarHBondContact N-O 3.15Å; N1142-T1146 WeakPolarHBondContact ND2-CB 3.43Å; N1142-T1146 PolarHBondContact ND2-OG1 2.98Å; N1142-T1146 WeakPolarHBondContact OD1-CB 3.24Å; N1142-T1146 PolarHBondContact OD1-N 2.94Å; N1142-T1146 PolarHBondContact OD1-OG1 3.31Å | ||
| 1143 | P | 49.8 | Very low | 64.4 | Low | 43 Ų | 43 | 31.7 Ų | 31.7 | 28% | 0.279 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 0.9 | 176.7 | -23.2 | 33.8 | 0 | 0 | 0 | 115.7 | V1135 | V1135-P1143 HydrophobicContact CB-CG 4.21Å; V1135-P1143 HydrophobicContact CG2-CG 4.37Å |
| 1144 | H | 54 | Low | 65.9 | Low | 42 Ų | 42 | 34.7 Ų | 34.7 | 19% | 0.194 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.4 | 27.1 | -168.8 | -52 | -72.3 | 0 | 0 | 0 | 113.1 | N1113 N1142 T1146 | N1113-H1144 HydrophobicContact CB-CB 3.48Å; N1113-H1144 VanDerWaalsContact CB-CB 3.48Å; N1142-H1144 PolarHBondContact O-N 3.3Å; N1142-H1144 VanDerWaalsContact OD1-CA 3.26Å; N1142-H1144 WeakPolarHBondContact OD1-CA 3.06Å; N1142-H1144 WeakPolarHBondContact OD1-CB 3.29Å; N1142-H1144 PolarHBondContact OD1-N 3.25Å; H1144-T1146 VanDerWaalsContact C-N 3.31Å; H1144-T1146 PolarHBondContact O-N 3.4Å |
| 1145 | G | 57.6 | Low | 67.5 | Low | 8 Ų | 8 | 34.2 Ų | 34.2 | 8% | 0.082 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 82.3 | -9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | N1142 I1147 | N1142-G1145 PolarHBondContact O-N 3.49Å; N1142-G1145 PolarHBondContact OD1-N 2.02Å; N1142-G1145 VanDerWaalsContact OD1-N 3.15Å; G1145-I1147 PolarHBondContact O-N 2.85Å |
| 1146 | T | 68.8 | Low | 69.3 | Low | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | trans | -73.7 | 115 | 179.7 | -49.6 | 0 | 0 | 0 | 0 | 111.2 | L1112 V1115 R1116 L1118 I1141 N1142 H1144 | L1112-T1146 PolarHBondContact O-OG1 2.8Å; L1112-T1146 VanDerWaalsContact O-OG1 3.1Å; V1115-T1146 HydrophobicContact CB-CG2 4.4Å; V1115-T1146 HydrophobicContact CG1-CG2 4.41Å; V1115-T1146 WeakPolarHBondContact O-CA 3.41Å; V1115-T1146 WeakPolarHBondContact O-CB 3.16Å; V1115-T1146 WeakPolarHBondContact O-CG2 3.34Å; V1115-T1146 PolarHBondContact O-OG1 3.32Å; R1116-T1146 WeakPolarHBondContact O-CA 3.31Å; L1118-T1146 HydrophobicContact CB-CG2 3.76Å; L1118-T1146 HydrophobicContact CD2-CG2 4.39Å; I1141-T1146 CarbonylContact C-O 3.41Å; I1141-T1146 WeakPolarHBondContact CA-O 3.06Å; N1142-T1146 VanDerWaalsContact CG-CB 3.41Å; N1142-T1146 PolarHBondContact N-O 3.15Å; N1142-T1146 WeakPolarHBondContact ND2-CB 3.43Å; N1142-T1146 PolarHBondContact ND2-OG1 2.98Å; N1142-T1146 WeakPolarHBondContact OD1-CB 3.24Å; N1142-T1146 PolarHBondContact OD1-N 2.94Å; N1142-T1146 PolarHBondContact OD1-OG1 3.31Å; H1144-T1146 VanDerWaalsContact C-N 3.31Å; H1144-T1146 PolarHBondContact O-N 3.4Å | ||
| 1147 | I | 73.9 | Confident | 70.9 | Confident | 35 Ų | 35 | 33 Ų | 33 | 18% | 0.179 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 119.3 | 176.4 | -63.1 | 165.1 | 0 | 0 | 0 | 109.3 | R1116 Y1117 L1118 I1140 I1141 G1145 L1149 | R1116-I1147 PolarHBondContact O-N 2.98Å; Y1117-I1147 WeakPolarHBondContact CA-O 3.27Å; Y1117-I1147 HydrophobicContact CD1-CB 3.81Å; Y1117-I1147 HydrophobicContact CD1-CD1 4.11Å; Y1117-I1147 HydrophobicContact CD1-CG2 4.06Å; Y1117-I1147 HydrophobicContact CE1-CB 4.07Å; Y1117-I1147 HydrophobicContact CE1-CD1 3.48Å; Y1117-I1147 VanDerWaalsContact CE1-CD1 3.48Å; Y1117-I1147 HydrophobicContact CE1-CG1 4.35Å; Y1117-I1147 HydrophobicContact CE1-CG2 4.21Å; L1118-I1147 PolarHBondContact N-O 3.44Å; I1140-I1147 WeakPolarHBondContact O-CA 3.26Å; I1141-I1147 HydrophobicContact CG1-CG1 4.14Å; G1145-I1147 PolarHBondContact O-N 2.85Å; I1147-L1149 HydrophobicContact CG2-CD2 3.8Å; I1147-L1149 HydrophobicContact CG2-CG 4.29Å; I1147-L1149 PolarHBondContact O-N 3.4Å |
| 1148 | L | 80.5 | Confident | 72.5 | Confident | 6 Ų | 6 | 28.7 Ų | 28.7 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 105.5 | 170.3 | -175.7 | 70.7 | 0 | 0 | 0 | 109.3 | L1118 L1120 F1133 I1140 D1150 I1151 W1170 | L1118-L1148 HydrophobicContact CB-CD1 4.41Å; L1118-L1148 HydrophobicContact CD2-CD1 4.14Å; L1118-L1148 HydrophobicContact CG-CD1 4.17Å; L1118-L1148 WeakPolarHBondContact O-CA 3.32Å; L1120-L1148 HydrophobicContact CB-CD1 3.86Å; F1133-L1148 HydrophobicContact CE1-CB 4.34Å; F1133-L1148 HydrophobicContact CE2-CD2 3.83Å; F1133-L1148 HydrophobicContact CZ-CB 3.66Å; F1133-L1148 HydrophobicContact CZ-CD2 3.43Å; F1133-L1148 VanDerWaalsContact CZ-CD2 3.43Å; F1133-L1148 HydrophobicContact CZ-CG 4.18Å; I1140-L1148 PolarHBondContact O-N 3.12Å; L1148-D1150 VanDerWaalsContact CD1-O 3.27Å; L1148-D1150 WeakPolarHBondContact CD1-O 3.31Å; L1148-I1151 HydrophobicContact CD2-CB 4Å; L1148-I1151 HydrophobicContact CD2-CD1 4.13Å; L1148-I1151 HydrophobicContact CD2-CG2 4.22Å; L1148-W1170 PolarHBondContact O-NE1 2.87Å |
| 1149 | L | 79.1 | Confident | 74.3 | Confident | 49 Ų | 49 | 29.8 Ų | 29.8 | 26% | 0.257 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -33.5 | 180 | -69.8 | -179.3 | 0 | 0 | 0 | 112.8 | Y1091 Y1117 L1118 I1147 | Y1091-L1149 HydrophobicContact CD2-CD1 4Å; Y1091-L1149 HydrophobicContact CE2-CD1 3.77Å; Y1117-L1149 HydrophobicContact CD1-CD1 3.56Å; Y1117-L1149 HydrophobicContact CD1-CD2 3.81Å; Y1117-L1149 HydrophobicContact CD1-CG 3.71Å; Y1117-L1149 HydrophobicContact CE1-CD1 4.5Å; Y1117-L1149 HydrophobicContact CE1-CD2 4.25Å; Y1117-L1149 HydrophobicContact CG-CD1 3.88Å; Y1117-L1149 HydrophobicContact CG-CG 4.39Å; L1118-L1149 PolarHBondContact O-N 2.66Å; I1147-L1149 HydrophobicContact CG2-CD2 3.8Å; I1147-L1149 HydrophobicContact CG2-CG 4.29Å; I1147-L1149 PolarHBondContact O-N 3.4Å |
| 1150 | D | 86.1 | Confident | 75.7 | Confident | 37 Ų | 37 | 29.1 Ų | 29.1 | 20% | 0.198 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 140.1 | -174.4 | -175.2 | 3.4 | 0 | 0 | 0 | 109.7 | A1119 L1120 L1148 Q1186 K1189 | A1119-D1150 HydrophobicContact CB-CB 3.94Å; L1120-D1150 PolarHBondContact N-O 2.83Å; L1148-D1150 VanDerWaalsContact CD1-O 3.27Å; L1148-D1150 WeakPolarHBondContact CD1-O 3.31Å; D1150-Q1186 PolarHBondContact OD1-NE2 3.1Å; D1150-Q1186 PolarHBondContact OD1-OE1 3.43Å; D1150-K1189 IonicContact OD1-NZ 3.9Å; D1150-K1189 PolarHBondContact OD1-NZ 3.35Å; D1150-K1189 IonicContact OD2-NZ 4Å; D1150-K1189 PolarHBondContact OD2-NZ 2.92Å |
| 1151 | I | 89.2 | Confident | 77 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 128.6 | 168.4 | -166.4 | 170.3 | 0 | 0 | 0 | 113.5 | L1120 L1130 L1148 L1153 W1166 W1170 Q1186 W1190 | L1120-I1151 HydrophobicContact CB-CG1 4.35Å; L1120-I1151 HydrophobicContact CD2-CD1 4.14Å; L1120-I1151 HydrophobicContact CD2-CG1 4.48Å; L1120-I1151 CarbonylContact O-C 3.53Å; L1120-I1151 WeakPolarHBondContact O-CA 3.37Å; L1130-I1151 HydrophobicContact CD2-CD1 3.27Å; L1148-I1151 HydrophobicContact CD2-CB 4Å; L1148-I1151 HydrophobicContact CD2-CD1 4.13Å; L1148-I1151 HydrophobicContact CD2-CG2 4.22Å; I1151-L1153 HydrophobicContact CD1-CD1 4.39Å; I1151-L1153 HydrophobicContact CD1-CD2 4.09Å; I1151-L1153 HydrophobicContact CD1-CG 4.23Å; I1151-L1153 HydrophobicContact CG1-CD2 4.25Å; I1151-L1153 HydrophobicContact CG1-CG 4.13Å; I1151-W1166 HydrophobicContact CD1-CH2 4.24Å; I1151-W1166 HydrophobicContact CG2-CH2 4.07Å; I1151-W1166 HydrophobicContact CG2-CZ3 4.49Å; I1151-W1170 HydrophobicContact CG2-CH2 3.95Å; I1151-W1170 HydrophobicContact CG2-CZ3 4.02Å; I1151-Q1186 PolarHBondContact O-NE2 3.24Å; I1151-W1190 HydrophobicContact CG2-CZ2 3.65Å; I1151-W1190 PolarHBondContact O-NE1 3.36Å |
| 1152 | D | 91.6 | Very high | 78.3 | Confident | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124.9 | 172.2 | -160.5 | -25.2 | 0 | 0 | 0 | 111.2 | L1120 D1121 L1122 S1123 R1154 K1189 | L1120-D1152 PolarHBondContact O-N 3.38Å; D1121-D1152 HydrophobicContact CB-CB 4.41Å; L1122-D1152 CarbonylContact C-O 3.59Å; L1122-D1152 WeakPolarHBondContact CA-O 3.47Å; L1122-D1152 PolarHBondContact N-O 3.09Å; S1123-D1152 PolarHBondContact N-O 3.11Å; D1152-R1154 WeakPolarHBondContact OD1-CB 3.24Å; D1152-R1154 VanDerWaalsContact OD1-CG 3.24Å; D1152-R1154 WeakPolarHBondContact OD1-CG 3.45Å; D1152-R1154 IonicContact OD1-CZ 3.55Å; D1152-R1154 PolarHBondContact OD1-N 3.08Å; D1152-R1154 IonicContact OD1-NE 3.99Å; D1152-R1154 PolarHBondContact OD1-NE 3.07Å; D1152-R1154 IonicContact OD2-CZ 3.56Å; D1152-R1154 IonicContact OD2-NE 3.36Å; D1152-R1154 PolarHBondContact OD2-NE 2.87Å; D1152-R1154 IonicContact OD2-NH2 3.54Å; D1152-R1154 PolarHBondContact OD2-NH2 3.02Å; D1152-K1189 HydrophobicContact CB-CD 4.31Å |
| 1153 | L | 91.9 | Very high | 79.6 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -123.8 | 8.8 | -177.5 | -68.7 | 178.1 | 0 | 0 | 0 | 112.5 | L1122 L1127 L1130 I1151 N1156 I1158 W1166 T1193 | L1122-L1153 HydrophobicContact CB-CD2 4.23Å; L1127-L1153 HydrophobicContact CD1-CD2 4.46Å; L1130-L1153 HydrophobicContact CD2-CD1 4.45Å; L1130-L1153 HydrophobicContact CD2-CD2 3.81Å; I1151-L1153 HydrophobicContact CD1-CD1 4.39Å; I1151-L1153 HydrophobicContact CD1-CD2 4.09Å; I1151-L1153 HydrophobicContact CD1-CG 4.23Å; I1151-L1153 HydrophobicContact CG1-CD2 4.25Å; I1151-L1153 HydrophobicContact CG1-CG 4.13Å; L1153-N1156 PolarHBondContact O-ND2 3.47Å; L1153-I1158 HydrophobicContact CB-CD1 3.81Å; L1153-I1158 HydrophobicContact CD1-CD1 3.92Å; L1153-I1158 HydrophobicContact CD2-CD1 4.45Å; L1153-I1158 HydrophobicContact CG-CD1 4.27Å; L1153-W1166 HydrophobicContact CD1-CZ2 4.36Å; L1153-T1193 HydrophobicContact CB-CG2 3.97Å | ||
| 1154 | R | 93.1 | Very high | 81 | Confident | 79 Ų | 79 | 42.1 Ų | 42.1 | 30% | 0.298 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 148.7 | -175.9 | -69.2 | 176.1 | -63.6 | 158 | 3.2 | 111.3 | S1123 N1124 D1152 N1156 K1189 R1192 T1193 | S1123-R1154 CarbonylContact C-O 3.45Å; S1123-R1154 VanDerWaalsContact CA-O 3.23Å; S1123-R1154 WeakPolarHBondContact CA-O 3.41Å; N1124-R1154 PolarHBondContact N-O 3.39Å; D1152-R1154 WeakPolarHBondContact OD1-CB 3.24Å; D1152-R1154 VanDerWaalsContact OD1-CG 3.24Å; D1152-R1154 WeakPolarHBondContact OD1-CG 3.45Å; D1152-R1154 IonicContact OD1-CZ 3.55Å; D1152-R1154 PolarHBondContact OD1-N 3.08Å; D1152-R1154 IonicContact OD1-NE 3.99Å; D1152-R1154 PolarHBondContact OD1-NE 3.07Å; D1152-R1154 IonicContact OD2-CZ 3.56Å; D1152-R1154 IonicContact OD2-NE 3.36Å; D1152-R1154 PolarHBondContact OD2-NE 2.87Å; D1152-R1154 IonicContact OD2-NH2 3.54Å; D1152-R1154 PolarHBondContact OD2-NH2 3.02Å; R1154-N1156 VanDerWaalsContact C-N 3.33Å; R1154-N1156 PolarHBondContact O-N 3.38Å; R1154-N1156 PolarHBondContact O-ND2 2.94Å; R1154-K1189 WeakPolarHBondContact CG-O 3.36Å; R1154-R1192 HydrophobicContact CG-CB 4.39Å; R1154-T1193 WeakPolarHBondContact CG-OG1 3.44Å |
| 1155 | N | 92.1 | Very high | 82 | Confident | 111 Ų | 111 | 42.5 Ų | 42.5 | 59% | 0.594 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 41.5 | 177.2 | -52.1 | -33.6 | 0 | 0 | 0 | 113.9 | N1124 | N1124-N1155 WeakPolarHBondContact OD1-CB 3.4Å; N1124-N1155 PolarHBondContact OD1-ND2 3.47Å |
| 1156 | N | 91.6 | Very high | 83 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.043 | 22% | 0.215 | C | C | . | . | trans | -108.7 | 175.2 | 167.7 | -81.6 | -81.5 | 0 | 0 | 0 | 111.5 | L1122 N1125 R1126 L1127 L1153 R1154 I1158 | L1122-N1156 PolarHBondContact O-ND2 3.35Å; N1125-N1156 WeakPolarHBondContact CA-OD1 3.42Å; N1125-N1156 WeakPolarHBondContact CB-OD1 3.13Å; N1125-N1156 PolarHBondContact O-OD1 2.86Å; R1126-N1156 PolarHBondContact N-OD1 2.83Å; L1127-N1156 HydrophobicContact CB-CB 4.3Å; L1127-N1156 VanDerWaalsContact CB-OD1 3.23Å; L1127-N1156 WeakPolarHBondContact CB-OD1 3.33Å; L1127-N1156 WeakPolarHBondContact CG-OD1 3.3Å; L1127-N1156 PolarHBondContact N-OD1 3.24Å; L1153-N1156 PolarHBondContact O-ND2 3.47Å; R1154-N1156 VanDerWaalsContact C-N 3.33Å; R1154-N1156 PolarHBondContact O-N 3.38Å; R1154-N1156 PolarHBondContact O-ND2 2.94Å; N1156-I1158 HydrophobicContact CB-CD1 4.15Å; N1156-I1158 HydrophobicContact CB-CG1 3.78Å | ||
| 1157 | L | 88.3 | Confident | 83.5 | Confident | 84 Ų | 84 | 42.8 Ų | 42.8 | 44% | 0.44 | 21% | 0.214 | S | C | . | . | trans | -103.4 | 44.6 | 178.1 | -62.9 | 176.3 | 0 | 0 | 0 | 111.5 | L1127 R1128 H1159 Y1196 | L1127-L1157 CarbonylContact O-C 3.47Å; L1127-L1157 PolarHBondContact O-N 3.19Å; L1127-L1157 VanDerWaalsContact O-N 3.11Å; R1128-L1157 WeakPolarHBondContact CA-O 3.23Å; L1157-H1159 PolarHBondContact O-N 2.9Å; L1157-Y1196 HydrophobicContact CD2-CE2 4.43Å | ||
| 1158 | I | 88.4 | Confident | 83.6 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 132.6 | -169.9 | -63.6 | 179.3 | 0 | 0 | 0 | 110.7 | L1127 L1153 N1156 M1164 T1193 C1195 Y1196 | L1127-I1158 PolarHBondContact O-N 2.95Å; L1153-I1158 HydrophobicContact CB-CD1 3.81Å; L1153-I1158 HydrophobicContact CD1-CD1 3.92Å; L1153-I1158 HydrophobicContact CD2-CD1 4.45Å; L1153-I1158 HydrophobicContact CG-CD1 4.27Å; N1156-I1158 HydrophobicContact CB-CD1 4.15Å; N1156-I1158 HydrophobicContact CB-CG1 3.78Å; I1158-M1164 HydrophobicContact CG2-CG 3.92Å; I1158-M1164 HydrophobicContact CG2-SD 3.55Å; I1158-M1164 VanDerWaalsContact CG2-SD 3.55Å; I1158-T1193 HydrophobicContact CD1-CG2 4.31Å; I1158-C1195 HydrophobicContact CB-CB 4.35Å; I1158-C1195 HydrophobicContact CG2-CB 4.27Å; I1158-C1195 CarbonylContact O-C 3.42Å; I1158-C1195 VanDerWaalsContact O-CA 3.27Å; I1158-C1195 WeakPolarHBondContact O-CA 3.45Å; I1158-C1195 WeakPolarHBondContact O-CB 3.2Å; I1158-Y1196 PolarHBondContact O-N 3Å |
| 1159 | H | 86.6 | Confident | 83.3 | Confident | 60 Ų | 60 | 47.2 Ų | 47.2 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 126.9 | 168.7 | -70.1 | -56.6 | 0 | 0 | 0 | 110.8 | R1128 L1157 D1161 M1164 Y1196 | R1128-H1159 PolarHBondContact O-N 3.41Å; L1157-H1159 PolarHBondContact O-N 2.9Å; H1159-D1161 PolarHBondContact O-N 3.07Å; H1159-M1164 WeakPolarHBondContact O-CG 3.36Å; H1159-Y1196 VanDerWaalsContact CA-O 3.22Å; H1159-Y1196 WeakPolarHBondContact CA-O 3.25Å; H1159-Y1196 PolarHBondContact ND1-O 3.48Å |
| 1160 | C | 77 | Confident | 83.2 | Confident | 19 Ų | 19 | 45 Ų | 45 | 13% | 0.128 | 22% | 0.219 | C | C | . | . | trans | -78.9 | 73 | 173 | -98.9 | 0 | 0 | 0 | 0 | 109.9 | C1195 Y1196 T1197 Y1204 I1209 | C1160-C1195 HydrophobicContact CB-CB 3.95Å; C1160-C1195 WeakPolarHBondContact CB-SG 3.41Å; C1160-C1195 WeakPolarHBondContact SG-CB 3.29Å; C1160-C1195 CovalentContact SG-SG 2.02Å; C1160-C1195 PolarHBondContact SG-SG 2.82Å; C1160-Y1196 PolarHBondContact N-O 3.27Å; C1160-T1197 HydrophobicContact CB-CG2 4.1Å; C1160-Y1204 HydrophobicContact CB-CE2 4.14Å; C1160-Y1204 WeakPolarHBondContact CB-OH 3.36Å; C1160-Y1204 VanDerWaalsContact SG-CE2 3.56Å; C1160-I1209 HydrophobicContact CB-CD1 4.5Å; C1160-I1209 WeakPolarHBondContact SG-CD1 3.03Å; C1160-I1209 VanDerWaalsContact SG-CG1 3.52Å | ||
| 1161 | D | 77.6 | Confident | 82.6 | Confident | 57 Ų | 57 | 43.2 Ų | 43.2 | 31% | 0.305 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -115 | 178.6 | 175.2 | 71.2 | 8.7 | 0 | 0 | 0 | 111.4 | H1159 K1163 M1164 | H1159-D1161 PolarHBondContact O-N 3.07Å; D1161-K1163 PolarHBondContact O-N 3.02Å; D1161-K1163 WeakPolarHBondContact OD1-CB 3.45Å; D1161-K1163 WeakPolarHBondContact OD1-CG 3.29Å; D1161-K1163 PolarHBondContact OD1-N 3.11Å; D1161-K1163 IonicContact OD2-NZ 2.99Å; D1161-M1164 PolarHBondContact O-N 2.94Å |
| 1162 | D | 75.9 | Confident | 81.8 | Confident | 157 Ų | 157 | 49.6 Ų | 49.6 | 84% | 0.84 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -57.6 | -18.3 | -179.5 | -63.4 | -27.2 | 0 | 0 | 0 | 113.7 | M1164 D1165 | D1162-M1164 PolarHBondContact O-N 3.24Å; D1162-D1165 WeakPolarHBondContact O-CB 3.31Å; D1162-D1165 PolarHBondContact O-N 2.92Å |
| 1163 | K | 78.3 | Confident | 80.6 | Confident | 119 Ų | 119 | 52.4 Ų | 52.4 | 52% | 0.517 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -71.7 | -17.2 | 177.7 | -54.3 | 171.7 | -177 | 159 | 0 | 112.1 | S1129 D1161 | S1129-K1163 WeakPolarHBondContact OG-CB 3.43Å; D1161-K1163 PolarHBondContact O-N 3.02Å; D1161-K1163 WeakPolarHBondContact OD1-CB 3.45Å; D1161-K1163 WeakPolarHBondContact OD1-CG 3.29Å; D1161-K1163 PolarHBondContact OD1-N 3.11Å; D1161-K1163 IonicContact OD2-NZ 2.99Å |
| 1164 | M | 80.4 | Confident | 79.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -88.5 | -1.6 | 174.4 | -67.2 | -64.4 | 100.2 | 0 | 0 | 113.5 | S1129 L1130 I1158 H1159 D1161 D1162 W1166 V1167 I1209 | S1129-M1164 WeakPolarHBondContact OG-CE 3.22Å; L1130-M1164 WeakPolarHBondContact O-CE 3.44Å; I1158-M1164 HydrophobicContact CG2-CG 3.92Å; I1158-M1164 HydrophobicContact CG2-SD 3.55Å; I1158-M1164 VanDerWaalsContact CG2-SD 3.55Å; H1159-M1164 WeakPolarHBondContact O-CG 3.36Å; D1161-M1164 PolarHBondContact O-N 2.94Å; D1162-M1164 PolarHBondContact O-N 3.24Å; M1164-W1166 PolarHBondContact O-N 3.11Å; M1164-V1167 HydrophobicContact CB-CG2 4.42Å; M1164-V1167 WeakPolarHBondContact O-CB 3.28Å; M1164-V1167 VanDerWaalsContact O-CG2 3.24Å; M1164-V1167 WeakPolarHBondContact O-CG2 3.45Å; M1164-V1167 PolarHBondContact O-N 2.8Å; M1164-V1167 HydrophobicContact SD-CG2 4.44Å; M1164-I1209 HydrophobicContact CB-CD1 3.71Å; M1164-I1209 HydrophobicContact CG-CD1 4.42Å |
| 1165 | D | 75.2 | Confident | 78.4 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.7 | -23.9 | -175 | -173.2 | 57.7 | 0 | 0 | 0 | 113.6 | D1162 V1167 R1168 | D1162-D1165 WeakPolarHBondContact O-CB 3.31Å; D1162-D1165 PolarHBondContact O-N 2.92Å; D1165-V1167 PolarHBondContact O-N 3.19Å; D1165-R1168 WeakPolarHBondContact O-CB 3.3Å; D1165-R1168 PolarHBondContact O-N 3.4Å; D1165-R1168 IonicContact OD1-CZ 3.75Å; D1165-R1168 IonicContact OD1-NE 2.74Å; D1165-R1168 IonicContact OD1-NH1 2.63Å; D1165-R1168 PolarHBondContact OD1-NH1 3.3Å |
| 1166 | W | 78.5 | Confident | 76.9 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.4 | -30.1 | 174 | 71.5 | -94.1 | 0 | 0 | 0 | 113.1 | L1130 P1132 F1133 I1140 I1151 L1153 M1164 R1168 K1169 W1170 W1190 | L1130-W1166 HydrophobicContact CD2-CZ2 4.44Å; L1130-W1166 PolarHBondContact O-NE1 3.16Å; P1132-W1166 HydrophobicContact CG-CH2 4.41Å; P1132-W1166 HydrophobicContact CG-CZ2 4.26Å; F1133-W1166 HydrophobicContact CD2-CD2 4.48Å; F1133-W1166 HydrophobicContact CD2-CE3 4.27Å; F1133-W1166 HydrophobicContact CE2-CE3 4.14Å; F1133-W1166 HydrophobicContact CE2-CZ3 4.3Å; I1140-W1166 HydrophobicContact CD1-CE3 4.06Å; I1151-W1166 HydrophobicContact CD1-CH2 4.24Å; I1151-W1166 HydrophobicContact CG2-CH2 4.07Å; I1151-W1166 HydrophobicContact CG2-CZ3 4.49Å; L1153-W1166 HydrophobicContact CD1-CZ2 4.36Å; M1164-W1166 PolarHBondContact O-N 3.11Å; W1166-R1168 VanDerWaalsContact C-N 3.31Å; W1166-R1168 PolarHBondContact O-N 3.07Å; W1166-K1169 PolarHBondContact O-N 3.41Å; W1166-W1170 HydrophobicContact CE3-CB 4.29Å; W1166-W1170 HydrophobicContact CZ3-CB 4.44Å; W1166-W1170 WeakPolarHBondContact O-CB 3.32Å; W1166-W1170 PolarHBondContact O-N 3.28Å; W1166-W1190 HydrophobicContact CH2-CH2 4.27Å; W1166-W1190 HydrophobicContact CH2-CZ2 4.1Å; W1166-W1190 AromaticContact CZ3-CH2 3.96Å; W1166-W1190 HydrophobicContact CZ3-CH2 3.96Å; W1166-W1190 HydrophobicContact CZ3-CZ2 4.12Å |
| 1167 | V | 79.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.8 | -47.1 | 176.6 | 167.7 | 0 | 0 | 0 | 0 | 110.3 | M1164 D1165 K1169 W1170 L1171 W1190 L1206 | M1164-V1167 HydrophobicContact CB-CG2 4.42Å; M1164-V1167 WeakPolarHBondContact O-CB 3.28Å; M1164-V1167 VanDerWaalsContact O-CG2 3.24Å; M1164-V1167 WeakPolarHBondContact O-CG2 3.45Å; M1164-V1167 PolarHBondContact O-N 2.8Å; M1164-V1167 HydrophobicContact SD-CG2 4.44Å; D1165-V1167 PolarHBondContact O-N 3.19Å; V1167-K1169 PolarHBondContact O-N 3.48Å; V1167-W1170 PolarHBondContact O-N 3.36Å; V1167-L1171 PolarHBondContact O-N 2.81Å; V1167-W1190 HydrophobicContact CB-CH2 4.03Å; V1167-W1190 HydrophobicContact CB-CZ3 3.82Å; V1167-W1190 HydrophobicContact CG1-CE3 3.53Å; V1167-W1190 HydrophobicContact CG1-CH2 3.77Å; V1167-W1190 HydrophobicContact CG1-CZ3 3.1Å; V1167-W1190 HydrophobicContact CG2-CH2 4.11Å; V1167-W1190 HydrophobicContact CG2-CZ3 4.29Å; V1167-W1190 WeakPolarHBondContact O-CZ3 3.28Å; V1167-L1206 HydrophobicContact CG1-CD2 4.08Å; V1167-L1206 HydrophobicContact CG1-CG 3.97Å; V1167-L1206 HydrophobicContact CG2-CD2 4.27Å |
| 1168 | R | 75.6 | Confident | 73.3 | Confident | 46 Ų | 46 | 52 Ų | 52 | 17% | 0.174 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 179.5 | -176.8 | -173.3 | -66 | 148.9 | -8.3 | 111.4 | D1165 W1166 W1170 R1172 I1209 | D1165-R1168 WeakPolarHBondContact O-CB 3.3Å; D1165-R1168 PolarHBondContact O-N 3.4Å; D1165-R1168 IonicContact OD1-CZ 3.75Å; D1165-R1168 IonicContact OD1-NE 2.74Å; D1165-R1168 IonicContact OD1-NH1 2.63Å; D1165-R1168 PolarHBondContact OD1-NH1 3.3Å; W1166-R1168 VanDerWaalsContact C-N 3.31Å; W1166-R1168 PolarHBondContact O-N 3.07Å; R1168-W1170 VanDerWaalsContact C-N 3.34Å; R1168-R1172 WeakPolarHBondContact O-CG 3.27Å; R1168-R1172 PolarHBondContact O-N 3.26Å; R1168-I1209 PolarHBondContact NE-O 3.24Å; R1168-I1209 PolarHBondContact NH2-O 2.81Å |
| 1169 | K | 74 | Confident | 71.9 | Confident | 89 Ų | 89 | 57 Ų | 57 | 39% | 0.387 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 178.5 | -60.5 | -178.8 | -179.3 | 177.5 | 0 | 111.1 | V1138 W1166 V1167 Y1173 | V1138-K1169 HydrophobicContact CG2-CB 3.48Å; V1138-K1169 VanDerWaalsContact CG2-CB 3.48Å; W1166-K1169 PolarHBondContact O-N 3.41Å; V1167-K1169 PolarHBondContact O-N 3.48Å; K1169-Y1173 PolarHBondContact O-N 2.62Å |
| 1170 | W | 76.1 | Confident | 70.7 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69 | -44 | -179.6 | -163 | 58 | 0 | 0 | 0 | 113.2 | I1140 L1148 I1151 W1166 V1167 R1168 R1172 Y1173 L1174 Q1186 W1190 | I1140-W1170 HydrophobicContact CD1-CB 3.8Å; I1140-W1170 HydrophobicContact CD1-CG 3.56Å; I1140-W1170 HydrophobicContact CG1-CG 4.43Å; L1148-W1170 PolarHBondContact O-NE1 2.87Å; I1151-W1170 HydrophobicContact CG2-CH2 3.95Å; I1151-W1170 HydrophobicContact CG2-CZ3 4.02Å; W1166-W1170 HydrophobicContact CE3-CB 4.29Å; W1166-W1170 HydrophobicContact CZ3-CB 4.44Å; W1166-W1170 WeakPolarHBondContact O-CB 3.32Å; W1166-W1170 PolarHBondContact O-N 3.28Å; V1167-W1170 PolarHBondContact O-N 3.36Å; R1168-W1170 VanDerWaalsContact C-N 3.34Å; W1170-R1172 PolarHBondContact O-N 3.27Å; W1170-Y1173 WeakPolarHBondContact O-CB 3.47Å; W1170-Y1173 PolarHBondContact O-N 3.26Å; W1170-L1174 HydrophobicContact CD2-CD1 3.8Å; W1170-L1174 HydrophobicContact CD2-CG 4.24Å; W1170-L1174 HydrophobicContact CE3-CD1 3.5Å; W1170-L1174 VanDerWaalsContact CE3-CD1 3.5Å; W1170-L1174 HydrophobicContact CE3-CG 4.38Å; W1170-L1174 HydrophobicContact CH2-CD1 3.65Å; W1170-L1174 HydrophobicContact CZ2-CD1 3.85Å; W1170-L1174 HydrophobicContact CZ2-CG 4.5Å; W1170-L1174 HydrophobicContact CZ3-CD1 3.44Å; W1170-L1174 VanDerWaalsContact CZ3-CD1 3.44Å; W1170-L1174 PolarHBondContact O-N 3.31Å; W1170-Q1186 HydrophobicContact CH2-CB 4.44Å; W1170-Q1186 HydrophobicContact CH2-CG 3.71Å; W1170-Q1186 HydrophobicContact CZ3-CB 4Å; W1170-Q1186 HydrophobicContact CZ3-CG 3.78Å; W1170-W1190 HydrophobicContact CB-CH2 4.27Å; W1170-W1190 HydrophobicContact CD2-CH2 4.06Å; W1170-W1190 HydrophobicContact CD2-CZ2 4.34Å; W1170-W1190 AromaticContact CE3-CH2 3.13Å; W1170-W1190 HydrophobicContact CE3-CH2 3.13Å; W1170-W1190 AromaticContact CE3-CZ2 3.26Å; W1170-W1190 HydrophobicContact CE3-CZ2 3.26Å; W1170-W1190 AromaticContact CE3-CZ3 3.93Å; W1170-W1190 HydrophobicContact CE3-CZ3 3.93Å; W1170-W1190 HydrophobicContact CH2-CZ2 4.42Å; W1170-W1190 AromaticContact CZ3-CE2 3.88Å; W1170-W1190 AromaticContact CZ3-CH2 3.71Å; W1170-W1190 HydrophobicContact CZ3-CH2 3.71Å; W1170-W1190 AromaticContact CZ3-CZ2 3.3Å; W1170-W1190 HydrophobicContact CZ3-CZ2 3.3Å |
| 1171 | L | 74 | Confident | 70.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 176.9 | -85.7 | 170.6 | 0 | 0 | 0 | 112.1 | V1167 Y1173 L1174 E1175 F1183 L1187 W1190 Y1210 | V1167-L1171 PolarHBondContact O-N 2.81Å; L1171-Y1173 PolarHBondContact O-N 3.43Å; L1171-L1174 PolarHBondContact O-N 2.99Å; L1171-E1175 VanDerWaalsContact O-CB 3.3Å; L1171-E1175 WeakPolarHBondContact O-CB 3.48Å; L1171-E1175 PolarHBondContact O-N 3.2Å; L1171-F1183 HydrophobicContact CB-CE2 4.5Å; L1171-F1183 HydrophobicContact CD2-CD2 4.16Å; L1171-F1183 HydrophobicContact CD2-CE2 3.73Å; L1171-L1187 HydrophobicContact CD1-CD1 4.44Å; L1171-L1187 HydrophobicContact CD2-CD1 4.09Å; L1171-W1190 HydrophobicContact CD1-CE3 3.53Å; L1171-W1190 HydrophobicContact CD1-CZ3 3.71Å; L1171-W1190 HydrophobicContact CD2-CE3 3.98Å; L1171-W1190 HydrophobicContact CD2-CZ3 4.16Å; L1171-W1190 HydrophobicContact CG-CE3 3.59Å; L1171-W1190 HydrophobicContact CG-CZ3 3.44Å; L1171-W1190 VanDerWaalsContact CG-CZ3 3.44Å; L1171-Y1210 HydrophobicContact CB-CD2 3.83Å; L1171-Y1210 HydrophobicContact CB-CE2 4.07Å; L1171-Y1210 HydrophobicContact CD1-CD2 4.06Å; L1171-Y1210 HydrophobicContact CD1-CG 4.09Å |
| 1172 | R | 71.8 | Confident | 69.7 | Low | 134 Ų | 134 | 61.8 Ų | 61.8 | 51% | 0.506 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.4 | -38.1 | 176 | -73 | -179 | -173.9 | 159.4 | 0.3 | 111.7 | R1168 W1170 S1176 Y1210 | R1168-R1172 WeakPolarHBondContact O-CG 3.27Å; R1168-R1172 PolarHBondContact O-N 3.26Å; W1170-R1172 PolarHBondContact O-N 3.27Å; R1172-S1176 WeakPolarHBondContact O-CB 3.45Å; R1172-S1176 PolarHBondContact O-N 3.34Å; R1172-Y1210 HydrophobicContact CG-CD2 4.37Å; R1172-Y1210 HydrophobicContact CG-CE2 3.74Å |
| 1173 | Y | 66.7 | Low | 69.7 | Low | 66 Ų | 66 | 56 Ų | 56 | 26% | 0.259 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.9 | -49.4 | 174.6 | 168.6 | -101.9 | 0 | 0 | 0 | 112.5 | V1138 P1139 K1169 W1170 L1171 E1175 S1176 T1177 | V1138-Y1173 HydrophobicContact CG1-CD1 3.7Å; V1138-Y1173 HydrophobicContact CG1-CD2 3.9Å; V1138-Y1173 HydrophobicContact CG1-CG 3.28Å; P1139-Y1173 HydrophobicContact CB-CD2 4.26Å; P1139-Y1173 HydrophobicContact CB-CE1 4.2Å; P1139-Y1173 HydrophobicContact CB-CE2 3.58Å; P1139-Y1173 HydrophobicContact CG-CE2 4.33Å; K1169-Y1173 PolarHBondContact O-N 2.62Å; W1170-Y1173 WeakPolarHBondContact O-CB 3.47Å; W1170-Y1173 PolarHBondContact O-N 3.26Å; L1171-Y1173 PolarHBondContact O-N 3.43Å; Y1173-E1175 PolarHBondContact O-N 3.05Å; Y1173-S1176 WeakPolarHBondContact CA-OG 3.42Å; Y1173-S1176 CarbonylContact O-C 3.32Å; Y1173-S1176 VanDerWaalsContact O-CA 3.28Å; Y1173-S1176 WeakPolarHBondContact O-CA 3.31Å; Y1173-S1176 WeakPolarHBondContact O-CB 3.43Å; Y1173-S1176 PolarHBondContact O-N 3.16Å; Y1173-S1176 PolarHBondContact O-OG 3.13Å; Y1173-T1177 HydrophobicContact CD1-CG2 4.22Å; Y1173-T1177 HydrophobicContact CD2-CG2 4.45Å; Y1173-T1177 HydrophobicContact CE1-CG2 3.72Å; Y1173-T1177 HydrophobicContact CE2-CG2 3.98Å; Y1173-T1177 WeakPolarHBondContact O-CG2 3.37Å; Y1173-T1177 PolarHBondContact O-N 2.88Å |
| 1174 | L | 69.5 | Low | 69.6 | Low | 10 Ų | 10 | 57.6 Ų | 57.6 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 178.2 | -73.4 | 179.5 | 0 | 0 | 0 | 111.5 | W1170 L1171 S1176 T1177 I1182 F1183 Q1186 | W1170-L1174 HydrophobicContact CD2-CD1 3.8Å; W1170-L1174 HydrophobicContact CD2-CG 4.24Å; W1170-L1174 HydrophobicContact CE3-CD1 3.5Å; W1170-L1174 VanDerWaalsContact CE3-CD1 3.5Å; W1170-L1174 HydrophobicContact CE3-CG 4.38Å; W1170-L1174 HydrophobicContact CH2-CD1 3.65Å; W1170-L1174 HydrophobicContact CZ2-CD1 3.85Å; W1170-L1174 HydrophobicContact CZ2-CG 4.5Å; W1170-L1174 HydrophobicContact CZ3-CD1 3.44Å; W1170-L1174 VanDerWaalsContact CZ3-CD1 3.44Å; W1170-L1174 PolarHBondContact O-N 3.31Å; L1171-L1174 PolarHBondContact O-N 2.99Å; L1174-S1176 PolarHBondContact O-N 2.63Å; L1174-T1177 PolarHBondContact O-N 2.84Å; L1174-T1177 VanDerWaalsContact O-N 3.09Å; L1174-T1177 PolarHBondContact O-OG1 3.14Å; L1174-I1182 HydrophobicContact CD2-CG2 4.11Å; L1174-F1183 HydrophobicContact CB-CB 4.11Å; L1174-F1183 HydrophobicContact CB-CD2 3.76Å; L1174-F1183 HydrophobicContact CB-CG 4.41Å; L1174-Q1186 HydrophobicContact CD1-CB 3.96Å; L1174-Q1186 HydrophobicContact CD1-CG 3.9Å |
| 1175 | E | 70.3 | Confident | 69.6 | Low | 86 Ų | 86 | 61.6 Ų | 61.6 | 40% | 0.402 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.9 | -31.9 | 172 | -170.2 | 177.1 | -166.2 | 0 | 0 | 112.7 | R519 L1171 Y1173 F1183 Y1210 | R519-E1175 PolarHBondContact NH1-O 2.99Å; R519-E1175 PolarHBondContact NH2-O 3.08Å; L1171-E1175 VanDerWaalsContact O-CB 3.3Å; L1171-E1175 WeakPolarHBondContact O-CB 3.48Å; L1171-E1175 PolarHBondContact O-N 3.2Å; Y1173-E1175 PolarHBondContact O-N 3.05Å; E1175-F1183 HydrophobicContact CB-CD2 4.01Å; E1175-F1183 HydrophobicContact CB-CE1 4.37Å; E1175-F1183 HydrophobicContact CB-CE2 3.71Å; E1175-F1183 HydrophobicContact CB-CG 4.44Å; E1175-F1183 HydrophobicContact CB-CZ 3.9Å; E1175-F1183 HydrophobicContact CG-CE1 4.25Å; E1175-F1183 HydrophobicContact CG-CE2 4.36Å; E1175-F1183 HydrophobicContact CG-CZ 4.03Å; E1175-Y1210 PolarHBondContact OE2-OH 2.86Å |
| 1176 | S | 61 | Low | 69.9 | Low | 20 Ų | 20 | 59.2 Ų | 59.2 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -77.9 | -17.4 | 173.8 | 76.6 | 0 | 0 | 0 | 0 | 114.6 | D495 R519 R1172 Y1173 L1174 | D495-S1176 WeakPolarHBondContact OD1-CB 3.31Å; R519-S1176 VanDerWaalsContact CD-O 3.26Å; R519-S1176 WeakPolarHBondContact CD-O 3.01Å; R519-S1176 VanDerWaalsContact CZ-CA 3.43Å; R519-S1176 PolarHBondContact NE-O 3.13Å; R519-S1176 VanDerWaalsContact NH2-C 3.33Å; R519-S1176 PolarHBondContact NH2-O 2.66Å; R1172-S1176 WeakPolarHBondContact O-CB 3.45Å; R1172-S1176 PolarHBondContact O-N 3.34Å; Y1173-S1176 WeakPolarHBondContact CA-OG 3.42Å; Y1173-S1176 CarbonylContact O-C 3.32Å; Y1173-S1176 VanDerWaalsContact O-CA 3.28Å; Y1173-S1176 WeakPolarHBondContact O-CA 3.31Å; Y1173-S1176 WeakPolarHBondContact O-CB 3.43Å; Y1173-S1176 PolarHBondContact O-N 3.16Å; Y1173-S1176 PolarHBondContact O-OG 3.13Å; L1174-S1176 PolarHBondContact O-N 2.63Å |
| 1177 | T | 57.3 | Low | 70.2 | Confident | 26 Ų | 26 | 61 Ų | 61 | 16% | 0.16 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -76 | 159.9 | 179.3 | 67.7 | 0 | 0 | 0 | 0 | 112.5 | R519 Y1173 L1174 E1179 | R519-T1177 PolarHBondContact NH2-O 3.46Å; Y1173-T1177 HydrophobicContact CD1-CG2 4.22Å; Y1173-T1177 HydrophobicContact CD2-CG2 4.45Å; Y1173-T1177 HydrophobicContact CE1-CG2 3.72Å; Y1173-T1177 HydrophobicContact CE2-CG2 3.98Å; Y1173-T1177 WeakPolarHBondContact O-CG2 3.37Å; Y1173-T1177 PolarHBondContact O-N 2.88Å; L1174-T1177 PolarHBondContact O-N 2.84Å; L1174-T1177 VanDerWaalsContact O-N 3.09Å; L1174-T1177 PolarHBondContact O-OG1 3.14Å; T1177-E1179 PolarHBondContact O-N 2.88Å |
| 1178 | T | 47 | Very low | 70.4 | Confident | 132 Ų | 132 | 64.2 Ų | 64.2 | 81% | 0.81 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -75.3 | 9.8 | 172.7 | 49.9 | 0 | 0 | 0 | 0 | 113.5 | P1180 | T1178-P1180 WeakPolarHBondContact O-CD 3.34Š|
| 1179 | E | 58.3 | Low | 70.9 | Confident | 104 Ų | 104 | 63.5 Ų | 63.5 | 49% | 0.486 | 31% | 0.307 | S | S | . | . | trans | -114.9 | 67 | -176.2 | -63.2 | -174.7 | -171 | 0 | 0 | 111.2 | T1177 E1181 I1182 F1183 | T1177-E1179 PolarHBondContact O-N 2.88Å; E1179-E1181 PolarHBondContact O-N 2.98Å; E1179-I1182 HydrophobicContact CB-CB 4.4Å; E1179-I1182 HydrophobicContact CB-CD1 4.43Å; E1179-I1182 HydrophobicContact CB-CG1 4.19Å; E1179-I1182 PolarHBondContact O-N 3.17Å; E1179-I1182 WeakPolarHBondContact OE2-CD1 3.16Å; E1179-F1183 PolarHBondContact O-N 3.23Å | ||
| 1180 | P | 60.2 | Low | 71.4 | Confident | 89 Ų | 89 | 59.2 Ų | 59.2 | 58% | 0.578 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.4 | -22.4 | -175.7 | 23.4 | -33.1 | 0 | 0 | 0 | 113.3 | T1178 R1184 | T1178-P1180 WeakPolarHBondContact O-CD 3.34Å; P1180-R1184 VanDerWaalsContact O-CB 3.31Å; P1180-R1184 WeakPolarHBondContact O-CB 3.34Å; P1180-R1184 PolarHBondContact O-N 2.83Å |
| 1181 | E | 64.9 | Low | 71.9 | Confident | 99 Ų | 99 | 63.7 Ų | 63.7 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 174 | -75.1 | -61 | 146.2 | 0 | 0 | 112.4 | E1179 R1184 I1185 | E1179-E1181 PolarHBondContact O-N 2.98Å; E1181-R1184 VanDerWaalsContact CD-NH2 3.28Å; E1181-R1184 PolarHBondContact O-N 3.49Å; E1181-R1184 IonicContact OE1-CZ 3.56Å; E1181-R1184 IonicContact OE1-NE 3.54Å; E1181-R1184 IonicContact OE1-NH1 3.02Å; E1181-R1184 IonicContact OE1-NH2 3.66Å; E1181-R1184 PolarHBondContact OE1-NH2 2.88Å; E1181-R1184 IonicContact OE2-CZ 3.51Å; E1181-R1184 VanDerWaalsContact OE2-CZ 3.22Å; E1181-R1184 IonicContact OE2-NE 3.9Å; E1181-R1184 PolarHBondContact OE2-NE 2.99Å; E1181-R1184 IonicContact OE2-NH2 3.67Å; E1181-R1184 PolarHBondContact OE2-NH2 3.15Å; E1181-I1185 WeakPolarHBondContact O-CB 3.18Å; E1181-I1185 WeakPolarHBondContact O-CD1 3.09Å; E1181-I1185 VanDerWaalsContact O-CG1 3.23Å; E1181-I1185 WeakPolarHBondContact O-CG1 3.42Å; E1181-I1185 PolarHBondContact O-N 2.78Å |
| 1182 | I | 69.3 | Low | 72.5 | Confident | 49 Ų | 49 | 70.5 Ų | 70.5 | 25% | 0.251 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 176 | -61.3 | -163.7 | 0 | 0 | 0 | 110 | L1174 E1179 R1184 I1185 Q1186 | L1174-I1182 HydrophobicContact CD2-CG2 4.11Å; E1179-I1182 HydrophobicContact CB-CB 4.4Å; E1179-I1182 HydrophobicContact CB-CD1 4.43Å; E1179-I1182 HydrophobicContact CB-CG1 4.19Å; E1179-I1182 PolarHBondContact O-N 3.17Å; E1179-I1182 WeakPolarHBondContact OE2-CD1 3.16Å; I1182-R1184 VanDerWaalsContact C-N 3.33Å; I1182-R1184 PolarHBondContact O-N 3.23Å; I1182-I1185 PolarHBondContact O-N 2.78Å; I1182-Q1186 HydrophobicContact CG2-CG 4.42Å; I1182-Q1186 WeakPolarHBondContact O-CG 3.46Å; I1182-Q1186 PolarHBondContact O-N 3.06Å |
| 1183 | F | 77.1 | Confident | 73.2 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 16% | 0.158 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.9 | -47.5 | 175.4 | 173.5 | -111.9 | 0 | 0 | 0 | 111.9 | L1171 L1174 E1175 E1179 Q1186 L1187 | L1171-F1183 HydrophobicContact CB-CE2 4.5Å; L1171-F1183 HydrophobicContact CD2-CD2 4.16Å; L1171-F1183 HydrophobicContact CD2-CE2 3.73Å; L1174-F1183 HydrophobicContact CB-CB 4.11Å; L1174-F1183 HydrophobicContact CB-CD2 3.76Å; L1174-F1183 HydrophobicContact CB-CG 4.41Å; E1175-F1183 HydrophobicContact CB-CD2 4.01Å; E1175-F1183 HydrophobicContact CB-CE1 4.37Å; E1175-F1183 HydrophobicContact CB-CE2 3.71Å; E1175-F1183 HydrophobicContact CB-CG 4.44Å; E1175-F1183 HydrophobicContact CB-CZ 3.9Å; E1175-F1183 HydrophobicContact CG-CE1 4.25Å; E1175-F1183 HydrophobicContact CG-CE2 4.36Å; E1175-F1183 HydrophobicContact CG-CZ 4.03Å; E1179-F1183 PolarHBondContact O-N 3.23Å; F1183-Q1186 PolarHBondContact O-N 2.69Å; F1183-L1187 HydrophobicContact CE1-CD2 4.2Å; F1183-L1187 HydrophobicContact CZ-CD1 4.48Å; F1183-L1187 HydrophobicContact CZ-CD2 4.15Å; F1183-L1187 VanDerWaalsContact O-CB 3.31Å; F1183-L1187 WeakPolarHBondContact O-CB 3.39Å; F1183-L1187 PolarHBondContact O-N 2.97Å |
| 1184 | R | 76.4 | Confident | 74.2 | Confident | 152 Ų | 152 | 64.8 Ų | 64.8 | 57% | 0.574 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.9 | -44 | 179.9 | -174.1 | -179 | 68.7 | 166.9 | 3.8 | 112.2 | P1180 E1181 I1182 Q1186 L1187 D1188 | P1180-R1184 VanDerWaalsContact O-CB 3.31Å; P1180-R1184 WeakPolarHBondContact O-CB 3.34Å; P1180-R1184 PolarHBondContact O-N 2.83Å; E1181-R1184 VanDerWaalsContact CD-NH2 3.28Å; E1181-R1184 PolarHBondContact O-N 3.49Å; E1181-R1184 IonicContact OE1-CZ 3.56Å; E1181-R1184 IonicContact OE1-NE 3.54Å; E1181-R1184 IonicContact OE1-NH1 3.02Å; E1181-R1184 IonicContact OE1-NH2 3.66Å; E1181-R1184 PolarHBondContact OE1-NH2 2.88Å; E1181-R1184 IonicContact OE2-CZ 3.51Å; E1181-R1184 VanDerWaalsContact OE2-CZ 3.22Å; E1181-R1184 IonicContact OE2-NE 3.9Å; E1181-R1184 PolarHBondContact OE2-NE 2.99Å; E1181-R1184 IonicContact OE2-NH2 3.67Å; E1181-R1184 PolarHBondContact OE2-NH2 3.15Å; I1182-R1184 VanDerWaalsContact C-N 3.33Å; I1182-R1184 PolarHBondContact O-N 3.23Å; R1184-Q1186 VanDerWaalsContact C-N 3.32Å; R1184-Q1186 PolarHBondContact O-N 3.34Å; R1184-L1187 PolarHBondContact O-N 3.4Å; R1184-D1188 PolarHBondContact O-N 3.3Å |
| 1185 | I | 78.4 | Confident | 75 | Confident | 84 Ų | 84 | 64.3 Ų | 64.3 | 43% | 0.431 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 177.4 | -69.6 | 165.3 | 0 | 0 | 0 | 109.9 | E1181 I1182 D1188 K1189 | E1181-I1185 WeakPolarHBondContact O-CB 3.18Å; E1181-I1185 WeakPolarHBondContact O-CD1 3.09Å; E1181-I1185 VanDerWaalsContact O-CG1 3.23Å; E1181-I1185 WeakPolarHBondContact O-CG1 3.42Å; E1181-I1185 PolarHBondContact O-N 2.78Å; I1182-I1185 PolarHBondContact O-N 2.78Å; I1185-D1188 PolarHBondContact O-N 3.13Å; I1185-K1189 WeakPolarHBondContact O-CG 3.45Å; I1185-K1189 PolarHBondContact O-N 3.26Å; I1185-K1189 VanDerWaalsContact O-N 3.09Å |
| 1186 | Q | 81.7 | Confident | 75.6 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.7 | -40.6 | 178.4 | -68.1 | -46.8 | 86.3 | 0 | 0 | 113.7 | D1150 I1151 W1170 L1174 I1182 F1183 R1184 D1188 K1189 W1190 | D1150-Q1186 PolarHBondContact OD1-NE2 3.1Å; D1150-Q1186 PolarHBondContact OD1-OE1 3.43Å; I1151-Q1186 PolarHBondContact O-NE2 3.24Å; W1170-Q1186 HydrophobicContact CH2-CB 4.44Å; W1170-Q1186 HydrophobicContact CH2-CG 3.71Å; W1170-Q1186 HydrophobicContact CZ3-CB 4Å; W1170-Q1186 HydrophobicContact CZ3-CG 3.78Å; L1174-Q1186 HydrophobicContact CD1-CB 3.96Å; L1174-Q1186 HydrophobicContact CD1-CG 3.9Å; I1182-Q1186 HydrophobicContact CG2-CG 4.42Å; I1182-Q1186 WeakPolarHBondContact O-CG 3.46Å; I1182-Q1186 PolarHBondContact O-N 3.06Å; F1183-Q1186 PolarHBondContact O-N 2.69Å; R1184-Q1186 VanDerWaalsContact C-N 3.32Å; R1184-Q1186 PolarHBondContact O-N 3.34Å; Q1186-D1188 VanDerWaalsContact C-N 3.31Å; Q1186-D1188 PolarHBondContact O-N 3.31Å; Q1186-K1189 PolarHBondContact O-N 3.48Å; Q1186-W1190 WeakPolarHBondContact O-CB 3.42Å; Q1186-W1190 PolarHBondContact O-N 3Å |
| 1187 | L | 84.6 | Confident | 76.1 | Confident | 56 Ų | 56 | 64 Ų | 64 | 29% | 0.293 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 175.5 | -170 | 69.8 | 0 | 0 | 0 | 111.2 | L1171 F1183 R1184 W1190 N1191 V1207 | L1171-L1187 HydrophobicContact CD1-CD1 4.44Å; L1171-L1187 HydrophobicContact CD2-CD1 4.09Å; F1183-L1187 HydrophobicContact CE1-CD2 4.2Å; F1183-L1187 HydrophobicContact CZ-CD1 4.48Å; F1183-L1187 HydrophobicContact CZ-CD2 4.15Å; F1183-L1187 VanDerWaalsContact O-CB 3.31Å; F1183-L1187 WeakPolarHBondContact O-CB 3.39Å; F1183-L1187 PolarHBondContact O-N 2.97Å; R1184-L1187 PolarHBondContact O-N 3.4Å; L1187-W1190 PolarHBondContact O-N 2.87Å; L1187-N1191 WeakPolarHBondContact O-CB 3.34Å; L1187-N1191 PolarHBondContact O-N 3.19Å; L1187-V1207 HydrophobicContact CD1-CG1 3.88Å; L1187-V1207 HydrophobicContact CD1-CG2 3.97Å |
| 1188 | D | 85.1 | Confident | 76.5 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 175.5 | 179.6 | 62.6 | 0 | 0 | 0 | 112.2 | R1184 I1185 Q1186 W1190 N1191 R1192 | R1184-D1188 PolarHBondContact O-N 3.3Å; I1185-D1188 PolarHBondContact O-N 3.13Å; Q1186-D1188 VanDerWaalsContact C-N 3.31Å; Q1186-D1188 PolarHBondContact O-N 3.31Å; D1188-W1190 VanDerWaalsContact C-N 3.32Å; D1188-W1190 PolarHBondContact O-N 2.98Å; D1188-N1191 PolarHBondContact O-N 3.44Å; D1188-R1192 VanDerWaalsContact CG-NH2 3.31Å; D1188-R1192 WeakPolarHBondContact O-CG 3.27Å; D1188-R1192 PolarHBondContact O-N 3.04Å; D1188-R1192 IonicContact OD1-CZ 3.78Å; D1188-R1192 IonicContact OD1-NE 2.73Å; D1188-R1192 PolarHBondContact OD1-NE 2.82Å; D1188-R1192 IonicContact OD1-NH2 2.7Å; D1188-R1192 PolarHBondContact OD1-NH2 3.27Å; D1188-R1192 IonicContact OD2-CZ 3.58Å; D1188-R1192 IonicContact OD2-NE 3.74Å; D1188-R1192 PolarHBondContact OD2-NE 3.2Å; D1188-R1192 IonicContact OD2-NH2 3.3Å; D1188-R1192 PolarHBondContact OD2-NH2 2.63Å |
| 1189 | K | 85.7 | Confident | 77.4 | Confident | 30 Ų | 30 | 69.2 Ų | 69.2 | 13% | 0.13 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.9 | -44.3 | 176.1 | -70.9 | -179.1 | -163.8 | 163.1 | 0 | 111.8 | D1150 D1152 R1154 I1185 Q1186 R1192 T1193 | D1150-K1189 IonicContact OD1-NZ 3.9Å; D1150-K1189 PolarHBondContact OD1-NZ 3.35Å; D1150-K1189 IonicContact OD2-NZ 4Å; D1150-K1189 PolarHBondContact OD2-NZ 2.92Å; D1152-K1189 HydrophobicContact CB-CD 4.31Å; R1154-K1189 WeakPolarHBondContact CG-O 3.36Å; I1185-K1189 WeakPolarHBondContact O-CG 3.45Å; I1185-K1189 PolarHBondContact O-N 3.26Å; I1185-K1189 VanDerWaalsContact O-N 3.09Å; Q1186-K1189 PolarHBondContact O-N 3.48Å; K1189-R1192 CarbonylContact O-C 3.45Å; K1189-R1192 PolarHBondContact O-N 3.27Å; K1189-T1193 PolarHBondContact O-N 2.84Å; K1189-T1193 VanDerWaalsContact O-N 3.15Å; K1189-T1193 PolarHBondContact O-OG1 3.04Å |
| 1190 | W | 84.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -75.5 | -30.8 | -177.8 | -71.6 | 12.5 | 0 | 0 | 0 | 112.4 | I1151 W1166 V1167 W1170 L1171 Q1186 L1187 D1188 R1192 T1193 L1206 V1207 | I1151-W1190 HydrophobicContact CG2-CZ2 3.65Å; I1151-W1190 PolarHBondContact O-NE1 3.36Å; W1166-W1190 HydrophobicContact CH2-CH2 4.27Å; W1166-W1190 HydrophobicContact CH2-CZ2 4.1Å; W1166-W1190 AromaticContact CZ3-CH2 3.96Å; W1166-W1190 HydrophobicContact CZ3-CH2 3.96Å; W1166-W1190 HydrophobicContact CZ3-CZ2 4.12Å; V1167-W1190 HydrophobicContact CB-CH2 4.03Å; V1167-W1190 HydrophobicContact CB-CZ3 3.82Å; V1167-W1190 HydrophobicContact CG1-CE3 3.53Å; V1167-W1190 HydrophobicContact CG1-CH2 3.77Å; V1167-W1190 HydrophobicContact CG1-CZ3 3.1Å; V1167-W1190 HydrophobicContact CG2-CH2 4.11Å; V1167-W1190 HydrophobicContact CG2-CZ3 4.29Å; V1167-W1190 WeakPolarHBondContact O-CZ3 3.28Å; W1170-W1190 HydrophobicContact CB-CH2 4.27Å; W1170-W1190 HydrophobicContact CD2-CH2 4.06Å; W1170-W1190 HydrophobicContact CD2-CZ2 4.34Å; W1170-W1190 AromaticContact CE3-CH2 3.13Å; W1170-W1190 HydrophobicContact CE3-CH2 3.13Å; W1170-W1190 AromaticContact CE3-CZ2 3.26Å; W1170-W1190 HydrophobicContact CE3-CZ2 3.26Å; W1170-W1190 AromaticContact CE3-CZ3 3.93Å; W1170-W1190 HydrophobicContact CE3-CZ3 3.93Å; W1170-W1190 HydrophobicContact CH2-CZ2 4.42Å; W1170-W1190 AromaticContact CZ3-CE2 3.88Å; W1170-W1190 AromaticContact CZ3-CH2 3.71Å; W1170-W1190 HydrophobicContact CZ3-CH2 3.71Å; W1170-W1190 AromaticContact CZ3-CZ2 3.3Å; W1170-W1190 HydrophobicContact CZ3-CZ2 3.3Å; L1171-W1190 HydrophobicContact CD1-CE3 3.53Å; L1171-W1190 HydrophobicContact CD1-CZ3 3.71Å; L1171-W1190 HydrophobicContact CD2-CE3 3.98Å; L1171-W1190 HydrophobicContact CD2-CZ3 4.16Å; L1171-W1190 HydrophobicContact CG-CE3 3.59Å; L1171-W1190 HydrophobicContact CG-CZ3 3.44Å; L1171-W1190 VanDerWaalsContact CG-CZ3 3.44Å; Q1186-W1190 WeakPolarHBondContact O-CB 3.42Å; Q1186-W1190 PolarHBondContact O-N 3Å; L1187-W1190 PolarHBondContact O-N 2.87Å; D1188-W1190 VanDerWaalsContact C-N 3.32Å; D1188-W1190 PolarHBondContact O-N 2.98Å; W1190-R1192 PolarHBondContact O-N 3.19Å; W1190-T1193 WeakPolarHBondContact O-CB 3.48Å; W1190-T1193 PolarHBondContact O-N 2.84Å; W1190-L1206 HydrophobicContact CD2-CD2 4.19Å; W1190-L1206 HydrophobicContact CE3-CD2 4.45Å; W1190-L1206 HydrophobicContact CG-CD2 4.25Å; W1190-V1207 HydrophobicContact CB-CG2 3.82Å |
| 1191 | N | 85.4 | Confident | 77.7 | Confident | 95 Ų | 95 | 77 Ų | 77 | 51% | 0.508 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.6 | -30.2 | 172.1 | -168.7 | 31.7 | 0 | 0 | 0 | 111.6 | L1187 D1188 S1205 V1207 | L1187-N1191 WeakPolarHBondContact O-CB 3.34Å; L1187-N1191 PolarHBondContact O-N 3.19Å; D1188-N1191 PolarHBondContact O-N 3.44Å; N1191-S1205 WeakPolarHBondContact CA-OG 3.4Å; N1191-S1205 PolarHBondContact O-OG 2.77Å; N1191-S1205 PolarHBondContact OD1-OG 3.47Å; N1191-S1205 VanDerWaalsContact OD1-OG 3.07Å; N1191-V1207 HydrophobicContact CB-CG2 4.11Å |
| 1192 | R | 86.7 | Confident | 78 | Confident | 143 Ų | 143 | 77.3 Ų | 77.3 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -0.3 | 173.9 | -60.5 | 174.9 | -163.5 | -160 | 8.3 | 113.6 | R1154 D1188 K1189 W1190 | R1154-R1192 HydrophobicContact CG-CB 4.39Å; D1188-R1192 VanDerWaalsContact CG-NH2 3.31Å; D1188-R1192 WeakPolarHBondContact O-CG 3.27Å; D1188-R1192 PolarHBondContact O-N 3.04Å; D1188-R1192 IonicContact OD1-CZ 3.78Å; D1188-R1192 IonicContact OD1-NE 2.73Å; D1188-R1192 PolarHBondContact OD1-NE 2.82Å; D1188-R1192 IonicContact OD1-NH2 2.7Å; D1188-R1192 PolarHBondContact OD1-NH2 3.27Å; D1188-R1192 IonicContact OD2-CZ 3.58Å; D1188-R1192 IonicContact OD2-NE 3.74Å; D1188-R1192 PolarHBondContact OD2-NE 3.2Å; D1188-R1192 IonicContact OD2-NH2 3.3Å; D1188-R1192 PolarHBondContact OD2-NH2 2.63Å; K1189-R1192 CarbonylContact O-C 3.45Å; K1189-R1192 PolarHBondContact O-N 3.27Å; W1190-R1192 PolarHBondContact O-N 3.19Å |
| 1193 | T | 86.6 | Confident | 78.3 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | trans | -93.6 | 116.6 | 176.8 | -59.4 | 0 | 0 | 0 | 0 | 108.8 | L1153 R1154 I1158 K1189 W1190 S1205 L1206 | L1153-T1193 HydrophobicContact CB-CG2 3.97Å; R1154-T1193 WeakPolarHBondContact CG-OG1 3.44Å; I1158-T1193 HydrophobicContact CD1-CG2 4.31Å; K1189-T1193 PolarHBondContact O-N 2.84Å; K1189-T1193 VanDerWaalsContact O-N 3.15Å; K1189-T1193 PolarHBondContact O-OG1 3.04Å; W1190-T1193 WeakPolarHBondContact O-CB 3.48Å; W1190-T1193 PolarHBondContact O-N 2.84Å; T1193-S1205 CarbonylContact O-C 2.98Å; T1193-L1206 HydrophobicContact CG2-CB 4.2Å; T1193-L1206 HydrophobicContact CG2-CD2 4.07Å; T1193-L1206 WeakPolarHBondContact O-CB 3.28Å; T1193-L1206 PolarHBondContact O-N 3.47Å | ||
| 1194 | I | 87.8 | Confident | 78.6 | Confident | 80 Ų | 80 | 76.8 Ų | 76.8 | 41% | 0.41 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130.5 | -179.3 | -57.4 | 177.1 | 0 | 0 | 0 | 109.1 | Y1196 Y1204 | I1194-Y1196 HydrophobicContact CG2-CE1 4.29Å; I1194-Y1196 HydrophobicContact CG2-CE2 4.2Å; I1194-Y1204 CarbonylContact C-O 3.13Å; I1194-Y1204 WeakPolarHBondContact CA-O 3.47Å |
| 1195 | C | 86.2 | Confident | 79 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 163.6 | 169.1 | 75.1 | 0 | 0 | 0 | 0 | 111.2 | I1158 C1160 G1203 Y1204 L1206 | I1158-C1195 HydrophobicContact CB-CB 4.35Å; I1158-C1195 HydrophobicContact CG2-CB 4.27Å; I1158-C1195 CarbonylContact O-C 3.42Å; I1158-C1195 VanDerWaalsContact O-CA 3.27Å; I1158-C1195 WeakPolarHBondContact O-CA 3.45Å; I1158-C1195 WeakPolarHBondContact O-CB 3.2Å; C1160-C1195 HydrophobicContact CB-CB 3.95Å; C1160-C1195 WeakPolarHBondContact CB-SG 3.41Å; C1160-C1195 WeakPolarHBondContact SG-CB 3.29Å; C1160-C1195 CovalentContact SG-SG 2.02Å; C1160-C1195 PolarHBondContact SG-SG 2.82Å; C1195-G1203 CarbonylContact O-C 3.55Å; C1195-G1203 WeakPolarHBondContact O-CA 3.4Å; C1195-Y1204 PolarHBondContact N-O 3.49Å; C1195-Y1204 PolarHBondContact O-N 3.18Å; C1195-Y1204 WeakPolarHBondContact SG-CE2 3.49Å; C1195-L1206 HydrophobicContact CB-CD1 4.24Å |
| 1196 | Y | 83.4 | Confident | 79.1 | Confident | 79 Ų | 79 | 66.5 Ų | 66.5 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 137.2 | -176.5 | -56 | -91.1 | 0 | 0 | 0 | 110.6 | L1157 I1158 H1159 C1160 I1194 | L1157-Y1196 HydrophobicContact CD2-CE2 4.43Å; I1158-Y1196 PolarHBondContact O-N 3Å; H1159-Y1196 VanDerWaalsContact CA-O 3.22Å; H1159-Y1196 WeakPolarHBondContact CA-O 3.25Å; H1159-Y1196 PolarHBondContact ND1-O 3.48Å; C1160-Y1196 PolarHBondContact N-O 3.27Å; I1194-Y1196 HydrophobicContact CG2-CE1 4.29Å; I1194-Y1196 HydrophobicContact CG2-CE2 4.2Å |
| 1197 | T | 72 | Confident | 79 | Confident | 20 Ų | 20 | 67.2 Ų | 67.2 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | trans | -90.7 | 155.4 | 167.3 | 57.6 | 0 | 0 | 0 | 0 | 110.3 | C1160 E1199 Q1200 Y1204 | C1160-T1197 HydrophobicContact CB-CG2 4.1Å; T1197-E1199 PolarHBondContact O-N 3.37Å; T1197-Q1200 PolarHBondContact O-N 3.08Å; T1197-Q1200 WeakPolarHBondContact OG1-CB 3.44Å; T1197-Q1200 PolarHBondContact OG1-N 3.32Å; T1197-Y1204 HydrophobicContact CG2-CE1 3.8Å; T1197-Y1204 WeakPolarHBondContact CG2-OH 3.38Å | ||
| 1198 | P | 64.4 | Low | 78.5 | Confident | 106 Ų | 106 | 68.3 Ų | 68.3 | 69% | 0.688 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -56.9 | -31.5 | 174.7 | -23.4 | 34 | 0 | 0 | 0 | 113.1 | ||
| 1199 | E | 66.4 | Low | 77.8 | Confident | 162 Ų | 162 | 66 Ų | 66 | 76% | 0.757 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -84.9 | -25.4 | -176.3 | -52.9 | 85 | -166.8 | 0 | 0 | 114.6 | T1197 | T1197-E1199 PolarHBondContact O-N 3.37Š|
| 1200 | Q | 61.8 | Low | 76.7 | Confident | 105 Ų | 105 | 67.2 Ų | 67.2 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | trans | -110 | 132.3 | -174.5 | -63.7 | -175.2 | -7.2 | 0 | 0 | 112.6 | T1197 | T1197-Q1200 PolarHBondContact O-N 3.08Å; T1197-Q1200 WeakPolarHBondContact OG1-CB 3.44Å; T1197-Q1200 PolarHBondContact OG1-N 3.32Å | ||
| 1201 | R | 62.9 | Low | 75.6 | Confident | 252 Ų | 252 | 69.8 Ų | 69.8 | 95% | 0.951 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -77.5 | -22.5 | 173.7 | -74.2 | -174 | 177.2 | -178.5 | -0.2 | 113.5 | ||
| 1202 | T | 71.2 | Confident | 74 | Confident | 104 Ų | 104 | 69.2 Ų | 69.2 | 64% | 0.638 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -91.3 | 117.7 | 178.4 | 49.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 1203 | G | 76.7 | Confident | 72 | Confident | 29 Ų | 29 | 66 Ų | 66 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | trans | -73.4 | 158.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1195 | C1195-G1203 CarbonylContact O-C 3.55Å; C1195-G1203 WeakPolarHBondContact O-CA 3.4Å | ||
| 1204 | Y | 81.9 | Confident | 69.7 | Low | 45 Ų | 45 | 68.7 Ų | 68.7 | 18% | 0.176 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 165.2 | 177.7 | 54.7 | -97.9 | 0 | 0 | 0 | 111.7 | C1160 I1194 C1195 T1197 L1206 Q1208 | C1160-Y1204 HydrophobicContact CB-CE2 4.14Å; C1160-Y1204 WeakPolarHBondContact CB-OH 3.36Å; C1160-Y1204 VanDerWaalsContact SG-CE2 3.56Å; I1194-Y1204 CarbonylContact C-O 3.13Å; I1194-Y1204 WeakPolarHBondContact CA-O 3.47Å; C1195-Y1204 PolarHBondContact N-O 3.49Å; C1195-Y1204 PolarHBondContact O-N 3.18Å; C1195-Y1204 WeakPolarHBondContact SG-CE2 3.49Å; T1197-Y1204 HydrophobicContact CG2-CE1 3.8Å; T1197-Y1204 WeakPolarHBondContact CG2-OH 3.38Å; Y1204-L1206 PolarHBondContact O-N 3.1Å; Y1204-Q1208 HydrophobicContact CD2-CB 3.87Å; Y1204-Q1208 HydrophobicContact CD2-CG 4.41Å; Y1204-Q1208 VanDerWaalsContact CD2-OE1 3.27Å; Y1204-Q1208 HydrophobicContact CE2-CB 4.3Å; Y1204-Q1208 VanDerWaalsContact CG-OE1 3.3Å |
| 1205 | S | 84.3 | Confident | 67.1 | Low | 20 Ų | 20 | 70 Ų | 70 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 133.7 | -178.1 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | N1191 T1193 V1207 Q1208 | N1191-S1205 WeakPolarHBondContact CA-OG 3.4Å; N1191-S1205 PolarHBondContact O-OG 2.77Å; N1191-S1205 PolarHBondContact OD1-OG 3.47Å; N1191-S1205 VanDerWaalsContact OD1-OG 3.07Å; T1193-S1205 CarbonylContact O-C 2.98Å; S1205-V1207 PolarHBondContact O-N 3.4Å; S1205-V1207 VanDerWaalsContact O-N 3.08Å; S1205-V1207 PolarHBondContact OG-N 3.41Å; S1205-Q1208 VanDerWaalsContact O-CB 3.3Å; S1205-Q1208 WeakPolarHBondContact O-CB 3.16Å; S1205-Q1208 PolarHBondContact O-N 3.38Å |
| 1206 | L | 81.7 | Confident | 64.6 | Low | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.4 | 177.9 | -172.1 | 69.7 | 0 | 0 | 0 | 111.8 | V1167 W1190 T1193 C1195 Y1204 Q1208 I1209 | V1167-L1206 HydrophobicContact CG1-CD2 4.08Å; V1167-L1206 HydrophobicContact CG1-CG 3.97Å; V1167-L1206 HydrophobicContact CG2-CD2 4.27Å; W1190-L1206 HydrophobicContact CD2-CD2 4.19Å; W1190-L1206 HydrophobicContact CE3-CD2 4.45Å; W1190-L1206 HydrophobicContact CG-CD2 4.25Å; T1193-L1206 HydrophobicContact CG2-CB 4.2Å; T1193-L1206 HydrophobicContact CG2-CD2 4.07Å; T1193-L1206 WeakPolarHBondContact O-CB 3.28Å; T1193-L1206 PolarHBondContact O-N 3.47Å; C1195-L1206 HydrophobicContact CB-CD1 4.24Å; Y1204-L1206 PolarHBondContact O-N 3.1Å; L1206-Q1208 PolarHBondContact O-N 3.44Å; L1206-I1209 HydrophobicContact CD1-CD1 3.55Å; L1206-I1209 HydrophobicContact CD1-CG1 4.42Å; L1206-I1209 HydrophobicContact CG-CD1 4.44Å; L1206-I1209 WeakPolarHBondContact O-CB 3.4Å; L1206-I1209 WeakPolarHBondContact O-CG1 3.3Å; L1206-I1209 PolarHBondContact O-N 2.93Å; L1206-I1209 VanDerWaalsContact O-N 3.15Å |
| 1207 | V | 78.8 | Confident | 62.2 | Low | 17 Ų | 17 | 76.6 Ų | 76.6 | 10% | 0.103 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.2 | 174.7 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | L1187 W1190 N1191 S1205 I1209 Y1210 V1211 | L1187-V1207 HydrophobicContact CD1-CG1 3.88Å; L1187-V1207 HydrophobicContact CD1-CG2 3.97Å; W1190-V1207 HydrophobicContact CB-CG2 3.82Å; N1191-V1207 HydrophobicContact CB-CG2 4.11Å; S1205-V1207 PolarHBondContact O-N 3.4Å; S1205-V1207 VanDerWaalsContact O-N 3.08Å; S1205-V1207 PolarHBondContact OG-N 3.41Å; V1207-I1209 PolarHBondContact O-N 3.03Å; V1207-Y1210 WeakPolarHBondContact O-CA 3.31Å; V1207-Y1210 VanDerWaalsContact O-CB 3.22Å; V1207-Y1210 WeakPolarHBondContact O-CB 3.45Å; V1207-Y1210 PolarHBondContact O-N 3.38Å; V1207-V1211 HydrophobicContact CG1-CG2 4.29Å; V1207-V1211 PolarHBondContact O-N 2.91Å; V1207-V1211 VanDerWaalsContact O-N 3.1Å |
| 1208 | Q | 75.2 | Confident | 60.3 | Low | 79 Ų | 79 | 81 Ų | 81 | 37% | 0.369 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.5 | -27.1 | 174.5 | -67.5 | -172.5 | -11 | 0 | 0 | 113 | Y1204 S1205 L1206 Y1210 V1211 D1212 | Y1204-Q1208 HydrophobicContact CD2-CB 3.87Å; Y1204-Q1208 HydrophobicContact CD2-CG 4.41Å; Y1204-Q1208 VanDerWaalsContact CD2-OE1 3.27Å; Y1204-Q1208 HydrophobicContact CE2-CB 4.3Å; Y1204-Q1208 VanDerWaalsContact CG-OE1 3.3Å; S1205-Q1208 VanDerWaalsContact O-CB 3.3Å; S1205-Q1208 WeakPolarHBondContact O-CB 3.16Å; S1205-Q1208 PolarHBondContact O-N 3.38Å; L1206-Q1208 PolarHBondContact O-N 3.44Å; Q1208-Y1210 PolarHBondContact O-N 2.68Å; Q1208-Y1210 VanDerWaalsContact O-N 3.16Å; Q1208-V1211 PolarHBondContact O-N 2.89Å; Q1208-D1212 PolarHBondContact O-N 3.26Å |
| 1209 | I | 69.8 | Low | 58.7 | Low | 20 Ų | 20 | 77.2 Ų | 77.2 | 10% | 0.103 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -56.8 | -33 | 169.3 | -57.8 | -178.3 | 0 | 0 | 0 | 111 | C1160 M1164 R1168 L1206 V1207 | C1160-I1209 HydrophobicContact CB-CD1 4.5Å; C1160-I1209 WeakPolarHBondContact SG-CD1 3.03Å; C1160-I1209 VanDerWaalsContact SG-CG1 3.52Å; M1164-I1209 HydrophobicContact CB-CD1 3.71Å; M1164-I1209 HydrophobicContact CG-CD1 4.42Å; R1168-I1209 PolarHBondContact NE-O 3.24Å; R1168-I1209 PolarHBondContact NH2-O 2.81Å; L1206-I1209 HydrophobicContact CD1-CD1 3.55Å; L1206-I1209 HydrophobicContact CD1-CG1 4.42Å; L1206-I1209 HydrophobicContact CG-CD1 4.44Å; L1206-I1209 WeakPolarHBondContact O-CB 3.4Å; L1206-I1209 WeakPolarHBondContact O-CG1 3.3Å; L1206-I1209 PolarHBondContact O-N 2.93Å; L1206-I1209 VanDerWaalsContact O-N 3.15Å; V1207-I1209 PolarHBondContact O-N 3.03Å |
| 1210 | Y | 63.3 | Low | 57.1 | Low | 55 Ų | 55 | 75.4 Ų | 75.4 | 22% | 0.216 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -78.1 | -36.3 | 175.5 | 173 | -85.2 | 0 | 0 | 0 | 112 | L1171 R1172 E1175 V1207 Q1208 | L1171-Y1210 HydrophobicContact CB-CD2 3.83Å; L1171-Y1210 HydrophobicContact CB-CE2 4.07Å; L1171-Y1210 HydrophobicContact CD1-CD2 4.06Å; L1171-Y1210 HydrophobicContact CD1-CG 4.09Å; R1172-Y1210 HydrophobicContact CG-CD2 4.37Å; R1172-Y1210 HydrophobicContact CG-CE2 3.74Å; E1175-Y1210 PolarHBondContact OE2-OH 2.86Å; V1207-Y1210 WeakPolarHBondContact O-CA 3.31Å; V1207-Y1210 VanDerWaalsContact O-CB 3.22Å; V1207-Y1210 WeakPolarHBondContact O-CB 3.45Å; V1207-Y1210 PolarHBondContact O-N 3.38Å; Q1208-Y1210 PolarHBondContact O-N 2.68Å; Q1208-Y1210 VanDerWaalsContact O-N 3.16Å |
| 1211 | V | 60.5 | Low | 55.9 | Low | 54 Ų | 54 | 73.2 Ų | 73.2 | 33% | 0.327 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -82 | -41.8 | -176.6 | -176.7 | 0 | 0 | 0 | 0 | 114 | V1207 Q1208 N1213 S1214 L1215 | V1207-V1211 HydrophobicContact CG1-CG2 4.29Å; V1207-V1211 PolarHBondContact O-N 2.91Å; V1207-V1211 VanDerWaalsContact O-N 3.1Å; Q1208-V1211 PolarHBondContact O-N 2.89Å; V1211-N1213 PolarHBondContact O-N 3.42Å; V1211-S1214 WeakPolarHBondContact O-CB 3.21Å; V1211-S1214 PolarHBondContact O-N 2.88Å; V1211-S1214 PolarHBondContact O-OG 3.43Å; V1211-L1215 HydrophobicContact CG1-CD1 4.47Å; V1211-L1215 PolarHBondContact O-N 3.05Å |
| 1212 | D | 52.1 | Low | 54.6 | Low | 82 Ų | 82 | 63.4 Ų | 63.4 | 44% | 0.439 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.2 | -22.8 | -165 | -82.8 | -12.6 | 0 | 0 | 0 | 114.5 | Q1208 E1216 | Q1208-D1212 PolarHBondContact O-N 3.26Å; D1212-E1216 PolarHBondContact O-N 2.74Å |
| 1213 | N | 44.6 | Very low | 53 | Low | 75 Ų | 75 | 65 Ų | 65 | 40% | 0.401 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -95.6 | -5.3 | 171.8 | -81.2 | 5.3 | 0 | 0 | 0 | 115.4 | V1211 L1215 S1217 | V1211-N1213 PolarHBondContact O-N 3.42Å; N1213-L1215 VanDerWaalsContact C-N 3.28Å; N1213-S1217 PolarHBondContact O-OG 2.93Å |
| 1214 | S | 39 | Very low | 51.2 | Low | 59 Ų | 59 | 66.1 Ų | 66.1 | 41% | 0.413 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -72.4 | -29.7 | 162.8 | 62 | 0 | 0 | 0 | 0 | 110.9 | V1211 S1217 D1218 | V1211-S1214 WeakPolarHBondContact O-CB 3.21Å; V1211-S1214 PolarHBondContact O-N 2.88Å; V1211-S1214 PolarHBondContact O-OG 3.43Å; S1214-S1217 PolarHBondContact O-OG 3.38Å; S1214-D1218 PolarHBondContact O-N 3.35Å |
| 1215 | L | 33.7 | Very low | 49.2 | Very low | 107 Ų | 107 | 67 Ų | 67 | 56% | 0.56 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -81.7 | -27.7 | 175.1 | -78 | 163.9 | 0 | 0 | 0 | 113.8 | V1211 N1213 S1217 D1218 G1219 | V1211-L1215 HydrophobicContact CG1-CD1 4.47Å; V1211-L1215 PolarHBondContact O-N 3.05Å; N1213-L1215 VanDerWaalsContact C-N 3.28Å; L1215-S1217 VanDerWaalsContact C-N 3.34Å; L1215-D1218 PolarHBondContact O-N 2.68Å; L1215-G1219 VanDerWaalsContact O-CA 3.29Å; L1215-G1219 WeakPolarHBondContact O-CA 3.29Å; L1215-G1219 PolarHBondContact O-N 3.47Å |
| 1216 | E | 32.8 | Very low | 47.1 | Very low | 135 Ų | 135 | 72 Ų | 72 | 63% | 0.631 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -71.2 | -29.1 | 171.5 | -76.5 | -163.1 | 158.3 | 0 | 0 | 113 | D1212 | D1212-E1216 PolarHBondContact O-N 2.74Å |
| 1217 | S | 33.1 | Very low | 45.3 | Very low | 82 Ų | 82 | 79.6 Ų | 79.6 | 57% | 0.573 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68.5 | -33.1 | 171.5 | 48.7 | 0 | 0 | 0 | 0 | 113.1 | N1213 S1214 L1215 | N1213-S1217 PolarHBondContact O-OG 2.93Å; S1214-S1217 PolarHBondContact O-OG 3.38Å; L1215-S1217 VanDerWaalsContact C-N 3.34Å |
| 1218 | D | 32.7 | Very low | 43.6 | Very low | 112 Ų | 112 | 84.6 Ų | 84.6 | 60% | 0.599 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -91 | -24.1 | 176.5 | -78.4 | -18.9 | 0 | 0 | 0 | 113.1 | S1214 L1215 A1221 A1222 | S1214-D1218 PolarHBondContact O-N 3.35Å; L1215-D1218 PolarHBondContact O-N 2.68Å; D1218-A1221 CarbonylContact O-C 3.16Å; D1218-A1221 PolarHBondContact O-N 2.78Å; D1218-A1222 WeakPolarHBondContact O-CB 3.28Å; D1218-A1222 PolarHBondContact O-N 3.18Å |
| 1219 | G | 30.4 | Very low | 42 | Very low | 28 Ų | 28 | 84.8 Ų | 84.8 | 29% | 0.289 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.9 | -35 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | L1215 A1221 A1222 Q1223 | L1215-G1219 VanDerWaalsContact O-CA 3.29Å; L1215-G1219 WeakPolarHBondContact O-CA 3.29Å; L1215-G1219 PolarHBondContact O-N 3.47Å; G1219-A1221 VanDerWaalsContact C-N 3.35Å; G1219-A1222 PolarHBondContact O-N 2.67Å; G1219-Q1223 WeakPolarHBondContact O-CB 3.4Å; G1219-Q1223 PolarHBondContact O-N 3.13Å |
| 1220 | N | 33.6 | Very low | 40.9 | Very low | 123 Ų | 123 | 87.1 Ų | 87.1 | 66% | 0.658 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -72.8 | -28.7 | 172 | -85.1 | -28.6 | 0 | 0 | 0 | 112.4 | A1224 | N1220-A1224 WeakPolarHBondContact O-CB 3.33Å; N1220-A1224 PolarHBondContact O-N 2.91Å; N1220-A1224 VanDerWaalsContact O-N 3.13Å |
| 1221 | A | 35.4 | Very low | 40.2 | Very low | 60 Ų | 60 | 88.5 Ų | 88.5 | 50% | 0.496 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -75.1 | -38.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1218 G1219 S1225 | D1218-A1221 CarbonylContact O-C 3.16Å; D1218-A1221 PolarHBondContact O-N 2.78Å; G1219-A1221 VanDerWaalsContact C-N 3.35Å; A1221-S1225 VanDerWaalsContact O-CB 3.28Å; A1221-S1225 WeakPolarHBondContact O-CB 3.35Å; A1221-S1225 PolarHBondContact O-N 2.82Å; A1221-S1225 PolarHBondContact O-OG 3.45Å |
| 1222 | A | 36.8 | Very low | 39.6 | Very low | 45 Ų | 45 | 90 Ų | 90 | 37% | 0.372 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.6 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1218 G1219 S1225 L1226 | D1218-A1222 WeakPolarHBondContact O-CB 3.28Å; D1218-A1222 PolarHBondContact O-N 3.18Å; G1219-A1222 PolarHBondContact O-N 2.67Å; A1222-S1225 WeakPolarHBondContact CA-OG 3.19Å; A1222-S1225 PolarHBondContact O-N 3.02Å; A1222-S1225 PolarHBondContact O-OG 3.49Å; A1222-S1225 VanDerWaalsContact O-OG 3.11Å; A1222-L1226 VanDerWaalsContact O-CB 3.3Å; A1222-L1226 WeakPolarHBondContact O-CB 3.5Å; A1222-L1226 PolarHBondContact O-N 3.04Å |
| 1223 | Q | 35.8 | Very low | 39.5 | Very low | 137 Ų | 137 | 90.2 Ų | 90.2 | 64% | 0.64 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -72.1 | -33.7 | 175.4 | -76.4 | -168.1 | -2.9 | 0 | 0 | 112.8 | G1219 K1227 | G1219-Q1223 WeakPolarHBondContact O-CB 3.4Å; G1219-Q1223 PolarHBondContact O-N 3.13Å; Q1223-K1227 WeakPolarHBondContact O-CB 3.36Å; Q1223-K1227 PolarHBondContact O-N 2.85Å |
| 1224 | A | 39.6 | Very low | 39.9 | Very low | 53 Ų | 53 | 92 Ų | 92 | 44% | 0.438 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N1220 K1227 L1228 | N1220-A1224 WeakPolarHBondContact O-CB 3.33Å; N1220-A1224 PolarHBondContact O-N 2.91Å; N1220-A1224 VanDerWaalsContact O-N 3.13Å; A1224-K1227 PolarHBondContact O-N 3.47Å; A1224-L1228 WeakPolarHBondContact O-CD1 3.42Å; A1224-L1228 PolarHBondContact O-N 3.11Å |
| 1225 | S | 41 | Very low | 40.7 | Very low | 65 Ų | 65 | 96.1 Ų | 96.1 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.2 | -34.2 | 178.5 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | A1221 A1222 L1228 C1229 | A1221-S1225 VanDerWaalsContact O-CB 3.28Å; A1221-S1225 WeakPolarHBondContact O-CB 3.35Å; A1221-S1225 PolarHBondContact O-N 2.82Å; A1221-S1225 PolarHBondContact O-OG 3.45Å; A1222-S1225 WeakPolarHBondContact CA-OG 3.19Å; A1222-S1225 PolarHBondContact O-N 3.02Å; A1222-S1225 PolarHBondContact O-OG 3.49Å; A1222-S1225 VanDerWaalsContact O-OG 3.11Å; S1225-L1228 PolarHBondContact O-N 2.89Å; S1225-C1229 WeakPolarHBondContact O-CB 3.3Å; S1225-C1229 PolarHBondContact O-N 3Å |
| 1226 | L | 40 | Very low | 41.6 | Very low | 125 Ų | 125 | 95.1 Ų | 95.1 | 65% | 0.654 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.4 | -37 | 171.9 | -94.9 | 143.6 | 0 | 0 | 0 | 112.4 | A1222 S1230 | A1222-L1226 VanDerWaalsContact O-CB 3.3Å; A1222-L1226 WeakPolarHBondContact O-CB 3.5Å; A1222-L1226 PolarHBondContact O-N 3.04Å; L1226-S1230 WeakPolarHBondContact O-CB 3.49Å; L1226-S1230 PolarHBondContact O-N 2.8Å; L1226-S1230 PolarHBondContact O-OG 3.4Å |
| 1227 | K | 42.9 | Very low | 42.4 | Very low | 159 Ų | 159 | 93.2 Ų | 93.2 | 69% | 0.691 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.5 | -41.6 | 172.3 | -84.6 | -174.8 | 175.9 | 176.3 | 0 | 111.8 | Q1223 A1224 S1230 C1231 | Q1223-K1227 WeakPolarHBondContact O-CB 3.36Å; Q1223-K1227 PolarHBondContact O-N 2.85Å; A1224-K1227 PolarHBondContact O-N 3.47Å; K1227-S1230 PolarHBondContact O-N 3.21Å; K1227-S1230 PolarHBondContact O-OG 3.44Å; K1227-C1231 PolarHBondContact O-N 2.87Å; K1227-C1231 VanDerWaalsContact O-N 3.1Å |
| 1228 | L | 43.2 | Very low | 43.3 | Very low | 122 Ų | 122 | 94.3 Ų | 94.3 | 64% | 0.639 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.7 | -41 | 175.2 | -95 | 132.7 | 0 | 0 | 0 | 112.9 | A1224 S1225 C1231 V1232 | A1224-L1228 WeakPolarHBondContact O-CD1 3.42Å; A1224-L1228 PolarHBondContact O-N 3.11Å; S1225-L1228 PolarHBondContact O-N 2.89Å; L1228-C1231 PolarHBondContact O-N 2.9Å; L1228-V1232 WeakPolarHBondContact O-CG2 3.33Å; L1228-V1232 PolarHBondContact O-N 3.32Å |
| 1229 | C | 41.7 | Very low | 44 | Very low | 82 Ų | 82 | 95 Ų | 95 | 55% | 0.554 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.2 | -37.6 | 175.4 | -98.3 | 0 | 0 | 0 | 0 | 112.3 | S1225 C1231 V1232 V1233 | S1225-C1229 WeakPolarHBondContact O-CB 3.3Å; S1225-C1229 PolarHBondContact O-N 3Å; C1229-C1231 VanDerWaalsContact C-N 3.31Å; C1229-C1231 PolarHBondContact O-N 3.43Å; C1229-V1232 PolarHBondContact O-N 3.33Å; C1229-V1233 WeakPolarHBondContact O-CB 3.3Å; C1229-V1233 VanDerWaalsContact O-CG2 3.3Å; C1229-V1233 WeakPolarHBondContact O-CG2 3.35Å; C1229-V1233 PolarHBondContact O-N 3.1Å |
| 1230 | S | 46.2 | Very low | 44.6 | Very low | 69 Ų | 69 | 100.3 Ų | 100.3 | 48% | 0.483 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.7 | -36.6 | 175.5 | 69.5 | 0 | 0 | 0 | 0 | 112 | L1226 K1227 L1234 | L1226-S1230 WeakPolarHBondContact O-CB 3.49Å; L1226-S1230 PolarHBondContact O-N 2.8Å; L1226-S1230 PolarHBondContact O-OG 3.4Å; K1227-S1230 PolarHBondContact O-N 3.21Å; K1227-S1230 PolarHBondContact O-OG 3.44Å; S1230-L1234 VanDerWaalsContact O-CB 3.28Å; S1230-L1234 WeakPolarHBondContact O-CB 3.33Å; S1230-L1234 PolarHBondContact O-N 3.44Å; S1230-L1234 VanDerWaalsContact O-N 3.07Å |
| 1231 | C | 48.4 | Very low | 45.2 | Very low | 84 Ų | 84 | 101.2 Ų | 101.2 | 57% | 0.568 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.3 | -40.9 | 174.2 | -74.8 | 0 | 0 | 0 | 0 | 112.5 | K1227 L1228 C1229 F1235 | K1227-C1231 PolarHBondContact O-N 2.87Å; K1227-C1231 VanDerWaalsContact O-N 3.1Å; L1228-C1231 PolarHBondContact O-N 2.9Å; C1229-C1231 VanDerWaalsContact C-N 3.31Å; C1229-C1231 PolarHBondContact O-N 3.43Å; C1231-F1235 WeakPolarHBondContact O-CB 3.37Å; C1231-F1235 PolarHBondContact O-N 2.9Å |
| 1232 | V | 48.9 | Very low | 45.4 | Very low | 86 Ų | 86 | 109.6 Ų | 109.6 | 52% | 0.521 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.9 | -42.1 | -179.8 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | L1228 C1229 L1234 F1235 V1236 | L1228-V1232 WeakPolarHBondContact O-CG2 3.33Å; L1228-V1232 PolarHBondContact O-N 3.32Å; C1229-V1232 PolarHBondContact O-N 3.33Å; V1232-L1234 VanDerWaalsContact C-N 3.34Å; V1232-L1234 PolarHBondContact O-N 3.19Å; V1232-F1235 PolarHBondContact O-N 3.48Å; V1232-V1236 HydrophobicContact CG1-CG2 4.39Å; V1232-V1236 WeakPolarHBondContact O-CG2 3.28Å; V1232-V1236 PolarHBondContact O-N 3.07Å |
| 1233 | V | 50.7 | Low | 45.5 | Very low | 86 Ų | 86 | 117.1 Ų | 117.1 | 52% | 0.521 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.6 | -39.2 | 177 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | C1229 F1235 V1236 L1237 | C1229-V1233 WeakPolarHBondContact O-CB 3.3Å; C1229-V1233 VanDerWaalsContact O-CG2 3.3Å; C1229-V1233 WeakPolarHBondContact O-CG2 3.35Å; C1229-V1233 PolarHBondContact O-N 3.1Å; V1233-F1235 VanDerWaalsContact C-N 3.32Å; V1233-F1235 PolarHBondContact O-N 2.97Å; V1233-V1236 PolarHBondContact O-N 2.94Å; V1233-L1237 HydrophobicContact CG1-CD1 3.93Å; V1233-L1237 WeakPolarHBondContact O-CB 3.41Å; V1233-L1237 PolarHBondContact O-N 2.97Å |
| 1234 | L | 52.9 | Low | 46 | Very low | 114 Ų | 114 | 116.2 Ų | 116.2 | 60% | 0.597 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.8 | -35.7 | 174.1 | -149.1 | 89.3 | 0 | 0 | 0 | 111.9 | S1230 V1232 L1238 | S1230-L1234 VanDerWaalsContact O-CB 3.28Å; S1230-L1234 WeakPolarHBondContact O-CB 3.33Å; S1230-L1234 PolarHBondContact O-N 3.44Å; S1230-L1234 VanDerWaalsContact O-N 3.07Å; V1232-L1234 VanDerWaalsContact C-N 3.34Å; V1232-L1234 PolarHBondContact O-N 3.19Å; L1234-L1238 HydrophobicContact CD2-CD1 4.33Å; L1234-L1238 HydrophobicContact CG-CD1 4.41Å; L1234-L1238 WeakPolarHBondContact O-CB 3.48Å; L1234-L1238 WeakPolarHBondContact O-CD1 3.33Å; L1234-L1238 WeakPolarHBondContact O-CG 3.33Å; L1234-L1238 PolarHBondContact O-N 3.48Å |
| 1235 | F | 54.1 | Low | 46.4 | Very low | 144 Ų | 144 | 119.5 Ų | 119.5 | 63% | 0.632 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.1 | -38.7 | 177.6 | -137.2 | -90 | 0 | 0 | 0 | 112.4 | C1231 V1232 V1233 L1238 M1239 | C1231-F1235 WeakPolarHBondContact O-CB 3.37Å; C1231-F1235 PolarHBondContact O-N 2.9Å; V1232-F1235 PolarHBondContact O-N 3.48Å; V1233-F1235 VanDerWaalsContact C-N 3.32Å; V1233-F1235 PolarHBondContact O-N 2.97Å; F1235-L1238 PolarHBondContact O-N 3.19Å; F1235-M1239 PolarHBondContact O-N 3.03Å |
| 1236 | V | 52.8 | Low | 46.7 | Very low | 86 Ų | 86 | 122.5 Ų | 122.5 | 52% | 0.521 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.6 | -43.5 | 175.9 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | V1232 V1233 L1238 M1239 E1240 | V1232-V1236 HydrophobicContact CG1-CG2 4.39Å; V1232-V1236 WeakPolarHBondContact O-CG2 3.28Å; V1232-V1236 PolarHBondContact O-N 3.07Å; V1233-V1236 PolarHBondContact O-N 2.94Å; V1236-L1238 VanDerWaalsContact C-N 3.32Å; V1236-L1238 PolarHBondContact O-N 3.41Å; V1236-M1239 PolarHBondContact O-N 3.02Å; V1236-E1240 PolarHBondContact O-N 3.46Å |
| 1237 | L | 49.4 | Very low | 47.1 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 50% | 0.503 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63.2 | -35.6 | 174.4 | -90.1 | 154.6 | 0 | 0 | 0 | 112.9 | V1233 L1241 | V1233-L1237 HydrophobicContact CG1-CD1 3.93Å; V1233-L1237 WeakPolarHBondContact O-CB 3.41Å; V1233-L1237 PolarHBondContact O-N 2.97Å; L1237-L1241 PolarHBondContact O-N 3.24Å |
| 1238 | L | 52.1 | Low | 47.3 | Very low | 104 Ų | 104 | 120.1 Ų | 120.1 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -74.1 | -26.1 | 175.4 | -79.8 | 165.3 | 0 | 0 | 0 | 113.3 | L1234 F1235 V1236 | L1234-L1238 HydrophobicContact CD2-CD1 4.33Å; L1234-L1238 HydrophobicContact CG-CD1 4.41Å; L1234-L1238 WeakPolarHBondContact O-CB 3.48Å; L1234-L1238 WeakPolarHBondContact O-CD1 3.33Å; L1234-L1238 WeakPolarHBondContact O-CG 3.33Å; L1234-L1238 PolarHBondContact O-N 3.48Å; F1235-L1238 PolarHBondContact O-N 3.19Å; V1236-L1238 VanDerWaalsContact C-N 3.32Å; V1236-L1238 PolarHBondContact O-N 3.41Å |
| 1239 | M | 48.2 | Very low | 47.6 | Very low | 128 Ų | 128 | 119.9 Ų | 119.9 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.4 | -36.5 | 172.3 | -79 | -143.2 | 131.7 | 0 | 0 | 112.5 | F1235 V1236 L1241 R1242 | F1235-M1239 PolarHBondContact O-N 3.03Å; V1236-M1239 PolarHBondContact O-N 3.02Å; M1239-L1241 VanDerWaalsContact C-N 3.29Å; M1239-L1241 PolarHBondContact O-N 3.18Å; M1239-R1242 PolarHBondContact O-N 3.43Å |
| 1240 | E | 43.1 | Very low | 48 | Very low | 138 Ų | 138 | 122.6 Ų | 122.6 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.5 | -24.5 | 174.5 | -78.7 | -168.8 | 163.7 | 0 | 0 | 113.2 | V1236 R1242 | V1236-E1240 PolarHBondContact O-N 3.46Å; E1240-R1242 PolarHBondContact O-N 3.4Å |
| 1241 | L | 46.3 | Very low | 48.2 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 0.4 | 172.8 | -81.7 | 161.2 | 0 | 0 | 0 | 114.3 | L1237 M1239 | L1237-L1241 PolarHBondContact O-N 3.24Å; M1239-L1241 VanDerWaalsContact C-N 3.29Å; M1239-L1241 PolarHBondContact O-N 3.18Å |
| 1242 | R | 40.1 | Very low | 48.2 | Very low | 236 Ų | 236 | 130.3 Ų | 130.3 | 89% | 0.891 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 3.2 | 174.7 | -96.7 | -171 | 178.1 | -172 | 0.9 | 114.3 | M1239 E1240 | M1239-R1242 PolarHBondContact O-N 3.43Å; E1240-R1242 PolarHBondContact O-N 3.4Å |
| 1243 | I | 39.2 | Very low | 48.1 | Very low | 204 Ų | 204 | 134.4 Ų | 134.4 | 100% | 1.046 | 66% | 0.661 | S | S | * | * | trans | -107.5 | 0 | 168.2 | -56 | 174.8 | 0 | 0 | 0 | 106.8 |
Retrieved 1,243 of 1,243 residues in 3826.9 ms
(Link to these results)