| 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 | 30.7 | Very low | 48.1 | Very low | 214 Ų | 214 | 96.5 Ų | 96.5 | 100% | 1.054 | 52% | 0.519 | S | S | * | . | 0 | 108.1 | 0 | -179.6 | 175.2 | 148.3 | 0 | 0 | 107 | L3 | M1-L3 PolarHBondContact O-N 2.81Š| |||
| 2 | V | 38.3 | Very low | 49.5 | Very low | 102 Ų | 102 | 90.8 Ų | 90.8 | 62% | 0.618 | 50% | 0.5 | S | S | * | . | trans | -79.2 | 114.9 | 178.9 | -179.2 | 0 | 0 | 0 | 0 | 107.1 | L4 | V2-L4 HydrophobicContact CG1-CD2 4.03Å; V2-L4 HydrophobicContact CG1-CG 4.21Å; V2-L4 PolarHBondContact O-N 3.43Å | ||
| 3 | L | 34.2 | Very low | 51.1 | Low | 145 Ų | 145 | 87.5 Ų | 87.5 | 76% | 0.759 | 48% | 0.484 | S | S | * | . | trans | -81 | 98.7 | 173.5 | -96.9 | 133.4 | 0 | 0 | 0 | 108 | M1 | M1-L3 PolarHBondContact O-N 2.81Š| ||
| 4 | L | 41.2 | Very low | 52.9 | Low | 99 Ų | 99 | 82.1 Ų | 82.1 | 52% | 0.518 | 46% | 0.456 | S | S | . | . | trans | -81.9 | 122.9 | 168.7 | -63.8 | 171.1 | 0 | 0 | 0 | 108 | V2 L225 | V2-L4 HydrophobicContact CG1-CD2 4.03Å; V2-L4 HydrophobicContact CG1-CG 4.21Å; V2-L4 PolarHBondContact O-N 3.43Å; L4-L225 HydrophobicContact CB-CD2 4.1Å; L4-L225 HydrophobicContact CD2-CB 4.27Å | ||
| 5 | R | 46.8 | Very low | 53.8 | Low | 193 Ų | 193 | 77.7 Ų | 77.7 | 73% | 0.728 | 43% | 0.432 | S | S | * | . | trans | -127.1 | 130 | 173.5 | -170.6 | 178.8 | -178.5 | -179.8 | 0.9 | 107.5 | V7 | R5-V7 HydrophobicContact CB-CG2 4.14Å; R5-V7 HydrophobicContact CG-CG2 4Å; R5-V7 PolarHBondContact O-N 2.76Å | ||
| 6 | A | 47.2 | Very low | 54.7 | Low | 75 Ų | 75 | 76.1 Ų | 76.1 | 62% | 0.62 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 120.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 7 | V | 55.3 | Low | 55.1 | Low | 51 Ų | 51 | 72.8 Ų | 72.8 | 31% | 0.309 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 148.6 | 179.3 | -172.9 | 0 | 0 | 0 | 0 | 107.9 | R5 P9 Y224 | R5-V7 HydrophobicContact CB-CG2 4.14Å; R5-V7 HydrophobicContact CG-CG2 4Å; R5-V7 PolarHBondContact O-N 2.76Å; V7-P9 HydrophobicContact CG1-CB 4.22Å; V7-P9 WeakPolarHBondContact O-CD 3.18Å; V7-Y224 PolarHBondContact N-O 2.76Å; V7-Y224 PolarHBondContact O-N 3.37Å |
| 8 | S | 58.2 | Low | 55.2 | Low | 50 Ų | 50 | 70.4 Ų | 70.4 | 35% | 0.35 | 39% | 0.389 | S | S | . | . | trans | -101.9 | 72 | 164.6 | -172 | 0 | 0 | 0 | 0 | 110.1 | F10 C222 | S8-F10 VanDerWaalsContact C-N 3.26Å; S8-F10 PolarHBondContact O-N 2.94Å; S8-C222 VanDerWaalsContact CA-O 3.32Å; S8-C222 WeakPolarHBondContact CA-O 3.39Å | ||
| 9 | P | 57.2 | Low | 54.9 | Low | 40 Ų | 40 | 69.7 Ų | 69.7 | 26% | 0.26 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -21.8 | -167.6 | 29.3 | -36.7 | 0 | 0 | 0 | 112.8 | V7 C222 Y246 | V7-P9 HydrophobicContact CG1-CB 4.22Å; V7-P9 WeakPolarHBondContact O-CD 3.18Å; P9-C222 WeakPolarHBondContact CD-O 3.02Å; P9-Y246 HydrophobicContact CB-CE1 4.49Å; P9-Y246 HydrophobicContact CG-CE1 3.63Å |
| 10 | F | 57.2 | Low | 54.3 | Low | 4 Ų | 4 | 75.3 Ų | 75.3 | 2% | 0.018 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 1.4 | -166.8 | -60.9 | -56.7 | 0 | 0 | 0 | 115.7 | S8 G12 T13 P15 C222 Y246 C260 P261 H264 | S8-F10 VanDerWaalsContact C-N 3.26Å; S8-F10 PolarHBondContact O-N 2.94Å; F10-G12 PolarHBondContact O-N 3.47Å; F10-T13 VanDerWaalsContact C-OG1 3.23Å; F10-T13 WeakPolarHBondContact CA-OG1 3.48Å; F10-T13 WeakPolarHBondContact O-CB 3.45Å; F10-T13 PolarHBondContact O-N 2.98Å; F10-T13 PolarHBondContact O-OG1 3.14Å; F10-P15 HydrophobicContact CD1-CB 3.7Å; F10-P15 HydrophobicContact CD1-CG 3.5Å; F10-P15 VanDerWaalsContact CD1-CG 3.5Å; F10-P15 HydrophobicContact CE1-CB 3.41Å; F10-P15 VanDerWaalsContact CE1-CB 3.41Å; F10-P15 HydrophobicContact CE1-CG 3.54Å; F10-P15 HydrophobicContact CG-CG 4.3Å; F10-P15 HydrophobicContact CZ-CB 4.4Å; F10-P15 HydrophobicContact CZ-CG 4.34Å; F10-C222 HydrophobicContact CB-CB 3.94Å; F10-C222 HydrophobicContact CD2-CB 3.9Å; F10-C222 HydrophobicContact CG-CB 4.43Å; F10-Y246 HydrophobicContact CE1-CE2 4.18Å; F10-Y246 HydrophobicContact CE2-CD1 4.47Å; F10-Y246 AromaticContact CE2-CD2 3.78Å; F10-Y246 HydrophobicContact CE2-CD2 3.78Å; F10-Y246 HydrophobicContact CE2-CE1 4.2Å; F10-Y246 AromaticContact CE2-CE2 3.54Å; F10-Y246 HydrophobicContact CE2-CE2 3.54Å; F10-Y246 HydrophobicContact CE2-CG 4.24Å; F10-Y246 AromaticContact CE2-CZ 3.67Å; F10-Y246 AromaticContact CZ-CD2 3.75Å; F10-Y246 HydrophobicContact CZ-CD2 3.75Å; F10-Y246 HydrophobicContact CZ-CE1 4.35Å; F10-Y246 AromaticContact CZ-CE2 3.11Å; F10-Y246 HydrophobicContact CZ-CE2 3.11Å; F10-Y246 AromaticContact CZ-CZ 3.4Å; F10-C260 HydrophobicContact CD2-CB 4.21Å; F10-P261 HydrophobicContact CD1-CG 4.49Å; F10-P261 HydrophobicContact CD2-CG 4.24Å; F10-P261 HydrophobicContact CE1-CG 4.01Å; F10-P261 HydrophobicContact CE2-CG 3.72Å; F10-P261 HydrophobicContact CZ-CG 3.54Å; F10-H264 HydrophobicContact CE1-CB 4.37Å; F10-H264 AromaticContact CE1-ND1 3.48Å; F10-H264 WeakPolarHBondContact CE1-ND1 3.25Å; F10-H264 HydrophobicContact CZ-CB 4.45Å; F10-H264 AromaticContact CZ-ND1 3.53Å |
| 11 | N | 62.6 | Low | 53.9 | Low | 88 Ų | 88 | 76 Ų | 76 | 47% | 0.471 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 112.1 | -170.5 | -161.5 | 3.7 | 0 | 0 | 0 | 113.2 | Y219 | N11-Y219 CarbonylContact C-O 3.53Š|
| 12 | G | 65.5 | Low | 54.9 | Low | 29 Ų | 29 | 67.8 Ų | 67.8 | 30% | 0.299 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 17.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F10 K43 Y219 | F10-G12 PolarHBondContact O-N 3.47Å; G12-K43 PolarHBondContact O-NZ 3.4Å; G12-Y219 PolarHBondContact N-O 2.86Å |
| 13 | T | 70.2 | Confident | 56 | Low | 47 Ų | 47 | 69.1 Ų | 69.1 | 29% | 0.288 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -112.3 | 159.3 | -175 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | F10 P15 Y219 | F10-T13 VanDerWaalsContact C-OG1 3.23Å; F10-T13 WeakPolarHBondContact CA-OG1 3.48Å; F10-T13 WeakPolarHBondContact O-CB 3.45Å; F10-T13 PolarHBondContact O-N 2.98Å; F10-T13 PolarHBondContact O-OG1 3.14Å; T13-P15 VanDerWaalsContact C-CD 3.49Å; T13-P15 WeakPolarHBondContact O-CD 2.99Å; T13-Y219 PolarHBondContact O-N 3.28Å; T13-Y219 VanDerWaalsContact O-N 3.15Å |
| 14 | C | 75.7 | Confident | 57.7 | Low | 13 Ų | 13 | 64.4 Ų | 64.4 | 9% | 0.088 | 36% | 0.36 | C | S | . | . | trans | -118.5 | 75.4 | 171.3 | -63.9 | 0 | 0 | 0 | 0 | 107.3 | V44 C45 | C14-V44 VanDerWaalsContact SG-C 3.59Å; C14-V44 PolarHBondContact SG-O 3.04Å; C14-C45 WeakPolarHBondContact CA-SG 3.24Å; C14-C45 HydrophobicContact CB-CB 3.83Å; C14-C45 WeakPolarHBondContact CB-SG 2.93Å; C14-C45 WeakPolarHBondContact SG-CA 3.01Å; C14-C45 WeakPolarHBondContact SG-CB 3.49Å; C14-C45 PolarHBondContact SG-N 2.82Å; C14-C45 CovalentContact SG-SG 2.03Å; C14-C45 PolarHBondContact SG-SG 3.48Å | ||
| 15 | P | 66 | Low | 59.5 | Low | 15 Ų | 15 | 61.1 Ų | 61.1 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | trans | -62.4 | 151.3 | 178.9 | 33.1 | -37.7 | 0 | 0 | 0 | 110.4 | F10 T13 E17 S26 Y219 P261 H264 | F10-P15 HydrophobicContact CD1-CB 3.7Å; F10-P15 HydrophobicContact CD1-CG 3.5Å; F10-P15 VanDerWaalsContact CD1-CG 3.5Å; F10-P15 HydrophobicContact CE1-CB 3.41Å; F10-P15 VanDerWaalsContact CE1-CB 3.41Å; F10-P15 HydrophobicContact CE1-CG 3.54Å; F10-P15 HydrophobicContact CG-CG 4.3Å; F10-P15 HydrophobicContact CZ-CB 4.4Å; F10-P15 HydrophobicContact CZ-CG 4.34Å; T13-P15 VanDerWaalsContact C-CD 3.49Å; T13-P15 WeakPolarHBondContact O-CD 2.99Å; P15-E17 PolarHBondContact O-N 3.32Å; P15-S26 PolarHBondContact O-OG 3.44Å; P15-Y219 VanDerWaalsContact CD-CD2 3.48Å; P15-Y219 HydrophobicContact CG-CD2 3.96Å; P15-Y219 HydrophobicContact CG-CE2 4.15Å; P15-P261 HydrophobicContact CB-CG 4.42Å; P15-P261 HydrophobicContact CG-CG 3.56Å; P15-H264 HydrophobicContact CB-CB 3.98Å | ||
| 16 | H | 68.3 | Low | 61.1 | Low | 52 Ų | 52 | 52 Ų | 52 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | trans | -78.9 | 100.1 | 178.4 | -65.1 | 171 | 0 | 0 | 0 | 109.5 | S26 N97 H264 T265 | H16-S26 VanDerWaalsContact CA-OG 3.25Å; H16-S26 WeakPolarHBondContact CA-OG 3.49Å; H16-N97 HydrophobicContact CB-CB 3.98Å; H16-H264 WeakPolarHBondContact O-CA 3.29Å; H16-H264 WeakPolarHBondContact O-CB 2.9Å; H16-T265 PolarHBondContact O-N 2.85Å | ||
| 17 | E | 61.8 | Low | 62.8 | Low | 20 Ų | 20 | 48.5 Ų | 48.5 | 9% | 0.093 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -71.8 | 127.8 | -176.8 | -57.8 | -175.4 | -146.9 | 0 | 0 | 109.6 | P15 R24 S26 T47 N97 Y219 P261 | P15-E17 PolarHBondContact O-N 3.32Å; E17-R24 VanDerWaalsContact O-O 3.07Å; E17-S26 PolarHBondContact N-OG 3.1Å; E17-T47 PolarHBondContact OE1-OG1 2.53Å; E17-N97 PolarHBondContact O-ND2 2.87Å; E17-Y219 PolarHBondContact OE1-OH 3.12Å; E17-P261 HydrophobicContact CG-CB 3.79Å |
| 18 | T | 56.6 | Low | 64 | Low | 30 Ų | 30 | 46.8 Ų | 46.8 | 18% | 0.184 | 27% | 0.268 | C | S | . | . | trans | -140.9 | 112.2 | 177 | 48.7 | 0 | 0 | 0 | 0 | 106.7 | N97 L243 S263 T265 | T18-N97 VanDerWaalsContact CG2-ND2 3.34Å; T18-N97 WeakPolarHBondContact CG2-ND2 3.3Å; T18-L243 WeakPolarHBondContact OG1-CD1 3.27Å; T18-S263 PolarHBondContact O-OG 2Å; T18-T265 WeakPolarHBondContact CG2-OG1 3.26Å; T18-T265 PolarHBondContact OG1-OG1 3.37Å | ||
| 19 | E | 49.9 | Very low | 65.2 | Low | 58 Ų | 58 | 44.5 Ų | 44.5 | 27% | 0.271 | 25% | 0.252 | S | S | . | . | trans | -89.5 | 144.4 | 162 | -56.7 | 161 | 155.6 | 0 | 0 | 108.4 | G21 S22 R24 | E19-G21 PolarHBondContact O-N 2.82Å; E19-G21 VanDerWaalsContact O-N 3.14Å; E19-S22 WeakPolarHBondContact CB-OG 3.22Å; E19-S22 PolarHBondContact O-N 2.78Å; E19-S22 VanDerWaalsContact OE2-CB 3.31Å; E19-S22 WeakPolarHBondContact OE2-CB 3.32Å; E19-S22 PolarHBondContact OE2-OG 2.03Å; E19-R24 IonicContact OE1-CZ 3.58Å; E19-R24 IonicContact OE1-NH1 3.74Å; E19-R24 PolarHBondContact OE1-NH1 2.93Å; E19-R24 IonicContact OE1-NH2 3.75Å; E19-R24 IonicContact OE2-CZ 2.97Å; E19-R24 IonicContact OE2-NE 3.72Å; E19-R24 IonicContact OE2-NH1 3.76Å | ||
| 20 | E | 43 | Very low | 66.4 | Low | 181 Ų | 181 | 43.9 Ų | 43.9 | 85% | 0.846 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 118.4 | 176.4 | -154.9 | 169.6 | -161.4 | 0 | 0 | 109.6 | S22 | E20-S22 VanDerWaalsContact C-N 3.33Å; E20-S22 PolarHBondContact O-N 3.42Å |
| 21 | G | 45.2 | Very low | 67.5 | Low | 89 Ų | 89 | 43.9 Ų | 43.9 | 92% | 0.918 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 0.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | E19 | E19-G21 PolarHBondContact O-N 2.82Å; E19-G21 VanDerWaalsContact O-N 3.14Å |
| 22 | S | 52.6 | Low | 68.3 | Low | 42 Ų | 42 | 41.4 Ų | 41.4 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | trans | -102.8 | 145.8 | 178.8 | 104.7 | 0 | 0 | 0 | 0 | 113.3 | E19 E20 R24 | E19-S22 WeakPolarHBondContact CB-OG 3.22Å; E19-S22 PolarHBondContact O-N 2.78Å; E19-S22 VanDerWaalsContact OE2-CB 3.31Å; E19-S22 WeakPolarHBondContact OE2-CB 3.32Å; E19-S22 PolarHBondContact OE2-OG 2.03Å; E20-S22 VanDerWaalsContact C-N 3.33Å; E20-S22 PolarHBondContact O-N 3.42Å; S22-R24 PolarHBondContact O-N 3.29Å; S22-R24 PolarHBondContact OG-N 3.12Å | ||
| 23 | R | 61.4 | Low | 68.6 | Low | 130 Ų | 130 | 43.1 Ų | 43.1 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | trans | -86.3 | 33.1 | 177.1 | -65.3 | -179.5 | 177.4 | 179.6 | -0.8 | 112.3 | Y25 P50 N209 | R23-Y25 HydrophobicContact CB-CE2 4.12Å; R23-Y25 WeakPolarHBondContact O-CD2 3.43Å; R23-Y25 WeakPolarHBondContact O-CE2 3.33Å; R23-Y25 PolarHBondContact O-N 2.75Å; R23-P50 HydrophobicContact CB-CG 4.45Å; R23-N209 PolarHBondContact NH1-OD1 2.82Å | ||
| 24 | R | 69.2 | Low | 68.3 | Low | 47 Ų | 47 | 47.2 Ų | 47.2 | 18% | 0.177 | 25% | 0.254 | C | S | . | . | trans | -78.4 | 119.3 | 175.4 | -75.3 | -172.4 | 176.5 | 166.6 | 11.5 | 109.1 | E17 E19 S22 | E17-R24 VanDerWaalsContact O-O 3.07Å; E19-R24 IonicContact OE1-CZ 3.58Å; E19-R24 IonicContact OE1-NH1 3.74Å; E19-R24 PolarHBondContact OE1-NH1 2.93Å; E19-R24 IonicContact OE1-NH2 3.75Å; E19-R24 IonicContact OE2-CZ 2.97Å; E19-R24 IonicContact OE2-NE 3.72Å; E19-R24 IonicContact OE2-NH1 3.76Å; S22-R24 PolarHBondContact O-N 3.29Å; S22-R24 PolarHBondContact OG-N 3.12Å | ||
| 25 | Y | 79 | Confident | 67.3 | Low | 29 Ų | 29 | 52.9 Ų | 52.9 | 11% | 0.114 | 28% | 0.283 | C | S | . | . | trans | -112.3 | 135.7 | 175.2 | -57.1 | -70.8 | 0 | 0 | 0 | 108.9 | R23 F27 F48 N97 L98 P99 L104 | R23-Y25 HydrophobicContact CB-CE2 4.12Å; R23-Y25 WeakPolarHBondContact O-CD2 3.43Å; R23-Y25 WeakPolarHBondContact O-CE2 3.33Å; R23-Y25 PolarHBondContact O-N 2.75Å; Y25-F27 VanDerWaalsContact CB-CZ 3.47Å; Y25-F48 AromaticContact CD2-CD1 3.89Å; Y25-F48 HydrophobicContact CD2-CD1 3.89Å; Y25-F48 HydrophobicContact CD2-CE1 4.4Å; Y25-F48 HydrophobicContact CD2-CG 4.44Å; Y25-F48 WeakPolarHBondContact O-CB 3.25Å; Y25-F48 PolarHBondContact O-N 3.23Å; Y25-N97 WeakPolarHBondContact CA-OD1 3.22Å; Y25-L98 HydrophobicContact CD1-CB 4.44Å; Y25-L98 HydrophobicContact CD1-CD1 4.26Å; Y25-L98 HydrophobicContact CD2-CD1 4.34Å; Y25-L98 HydrophobicContact CE1-CD1 4.2Å; Y25-L98 HydrophobicContact CE2-CD1 4.27Å; Y25-L98 HydrophobicContact CG-CD1 4.31Å; Y25-P99 VanDerWaalsContact CE1-CD 3.46Å; Y25-P99 HydrophobicContact CE1-CG 4.3Å; Y25-L104 HydrophobicContact CD2-CD1 3.54Å; Y25-L104 HydrophobicContact CD2-CD2 3.5Å; Y25-L104 VanDerWaalsContact CD2-CD2 3.5Å; Y25-L104 HydrophobicContact CD2-CG 4.1Å; Y25-L104 HydrophobicContact CE2-CD1 4.31Å; Y25-L104 HydrophobicContact CE2-CD2 3.39Å; Y25-L104 HydrophobicContact CE2-CG 4.39Å; Y25-L104 HydrophobicContact CG-CD1 4.02Å | ||
| 26 | S | 81.2 | Confident | 66.9 | Low | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 151.5 | 172.7 | 79.6 | 0 | 0 | 0 | 0 | 111.9 | P15 H16 E17 F46 G96 N97 | P15-S26 PolarHBondContact O-OG 3.44Å; H16-S26 VanDerWaalsContact CA-OG 3.25Å; H16-S26 WeakPolarHBondContact CA-OG 3.49Å; E17-S26 PolarHBondContact N-OG 3.1Å; S26-F46 CarbonylContact C-O 3.6Å; S26-F46 WeakPolarHBondContact CA-O 3.31Å; S26-F46 WeakPolarHBondContact CB-O 3.42Å; S26-G96 VanDerWaalsContact O-CA 3.22Å; S26-G96 WeakPolarHBondContact O-CA 3.47Å; S26-N97 PolarHBondContact N-OD1 3.23Å; S26-N97 PolarHBondContact O-N 3.33Å; S26-N97 PolarHBondContact O-OD1 3.05Å |
| 27 | F | 81.9 | Confident | 66.3 | Low | 1 Ų | 1 | 63.5 Ų | 63.5 | 0% | 0.004 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 144.7 | -171.8 | -36.3 | -83.2 | 0 | 0 | 0 | 109.6 | Y25 C45 F46 F48 L93 N95 L98 L104 L186 V193 L213 | Y25-F27 VanDerWaalsContact CB-CZ 3.47Å; F27-C45 CarbonylContact O-C 3.54Å; F27-C45 WeakPolarHBondContact O-CA 3.49Å; F27-F46 HydrophobicContact CB-CB 4.1Å; F27-F46 HydrophobicContact CB-CD2 4.45Å; F27-F46 HydrophobicContact CD2-CB 3.84Å; F27-F46 HydrophobicContact CG-CB 4.46Å; F27-F46 PolarHBondContact N-O 3.22Å; F27-F46 PolarHBondContact O-N 2.65Å; F27-F48 HydrophobicContact CE2-CB 4.22Å; F27-L93 HydrophobicContact CB-CD2 4.04Å; F27-N95 WeakPolarHBondContact CA-O 3.26Å; F27-L98 HydrophobicContact CE1-CB 3.81Å; F27-L98 HydrophobicContact CZ-CB 4.43Å; F27-L104 HydrophobicContact CE2-CD1 4.49Å; F27-L104 HydrophobicContact CZ-CD1 3.77Å; F27-L186 HydrophobicContact CE2-CD1 4.48Å; F27-V193 HydrophobicContact CD1-CB 4.07Å; F27-V193 HydrophobicContact CD1-CG1 4.19Å; F27-V193 HydrophobicContact CD1-CG2 3.53Å; F27-V193 HydrophobicContact CE1-CB 4.38Å; F27-V193 HydrophobicContact CE1-CG1 4.15Å; F27-V193 HydrophobicContact CE1-CG2 3.7Å; F27-L213 HydrophobicContact CD2-CD1 3.97Å; F27-L213 HydrophobicContact CE2-CD1 3.77Å |
| 28 | S | 81.9 | Confident | 65.4 | Low | 15 Ų | 15 | 70 Ų | 70 | 11% | 0.105 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 144.9 | 166.9 | 63.1 | 0 | 0 | 0 | 0 | 109.9 | L94 N95 | S28-L94 PolarHBondContact O-N 2.93Å; S28-N95 PolarHBondContact N-O 2.85Å; S28-N95 PolarHBondContact OG-N 3.19Å; S28-N95 PolarHBondContact OG-O 2.74Å; S28-N95 VanDerWaalsContact OG-O 3.11Å |
| 29 | G | 82.3 | Confident | 65.8 | Low | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | -172.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K43 V44 K92 | G29-K43 WeakPolarHBondContact O-CA 3.42Å; G29-V44 PolarHBondContact N-O 3.47Å; G29-V44 PolarHBondContact O-N 3.18Å; G29-K92 CarbonylContact C-O 3.56Å; G29-K92 WeakPolarHBondContact CA-O 3.4Å |
| 30 | T | 82.8 | Confident | 67 | Low | 28 Ų | 28 | 72.9 Ų | 72.9 | 17% | 0.172 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 140.1 | 172.7 | 53.9 | 0 | 0 | 0 | 0 | 110 | Q42 M91 K92 | T30-Q42 CarbonylContact C-O 3.56Å; T30-Q42 WeakPolarHBondContact CA-O 3.33Å; T30-M91 WeakPolarHBondContact O-CA 2.94Å; T30-K92 PolarHBondContact N-O 3.31Å; T30-K92 PolarHBondContact O-N 3.18Å |
| 31 | I | 79.6 | Confident | 68.7 | Low | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.015 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.8 | 167.7 | -63 | 173.4 | 0 | 0 | 0 | 107.9 | W33 K41 Q42 V44 F46 R90 V215 | I31-W33 HydrophobicContact CB-CZ2 4.07Å; I31-W33 HydrophobicContact CD1-CZ2 4.2Å; I31-W33 HydrophobicContact CG2-CD2 3.89Å; I31-W33 HydrophobicContact CG2-CE3 4.42Å; I31-W33 HydrophobicContact CG2-CG 4.44Å; I31-W33 HydrophobicContact CG2-CH2 4.06Å; I31-W33 HydrophobicContact CG2-CZ2 3.48Å; I31-W33 VanDerWaalsContact CG2-CZ2 3.48Å; I31-W33 HydrophobicContact CG2-CZ3 4.5Å; I31-K41 WeakPolarHBondContact O-CA 3.14Å; I31-Q42 PolarHBondContact N-O 3.2Å; I31-Q42 PolarHBondContact O-N 3.01Å; I31-V44 HydrophobicContact CD1-CG1 4.32Å; I31-V44 HydrophobicContact CD1-CG2 3.9Å; I31-V44 HydrophobicContact CG1-CG2 3.8Å; I31-F46 HydrophobicContact CD1-CZ 4.31Å; I31-F46 HydrophobicContact CG1-CZ 4.32Å; I31-R90 HydrophobicContact CG2-CB 4.04Å; I31-V215 HydrophobicContact CD1-CG2 3.92Å |
| 32 | S | 79.7 | Confident | 70.4 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 25% | 0.252 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125.4 | 174.5 | -57.3 | 0 | 0 | 0 | 0 | 109.6 | G40 R90 | S32-G40 CarbonylContact C-O 3.48Å; S32-G40 WeakPolarHBondContact CA-O 3.47Å; S32-R90 PolarHBondContact N-O 2.92Å; S32-R90 WeakPolarHBondContact O-CD 3.37Å |
| 33 | W | 72.8 | Confident | 71.9 | Confident | 65 Ų | 65 | 73.7 Ų | 73.7 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 136.7 | 177 | -49.7 | 95.2 | 0 | 0 | 0 | 109.3 | I31 I39 G40 R90 | I31-W33 HydrophobicContact CB-CZ2 4.07Å; I31-W33 HydrophobicContact CD1-CZ2 4.2Å; I31-W33 HydrophobicContact CG2-CD2 3.89Å; I31-W33 HydrophobicContact CG2-CE3 4.42Å; I31-W33 HydrophobicContact CG2-CG 4.44Å; I31-W33 HydrophobicContact CG2-CH2 4.06Å; I31-W33 HydrophobicContact CG2-CZ2 3.48Å; I31-W33 VanDerWaalsContact CG2-CZ2 3.48Å; I31-W33 HydrophobicContact CG2-CZ3 4.5Å; W33-I39 CarbonylContact O-C 3.51Å; W33-I39 WeakPolarHBondContact O-CA 3.35Å; W33-G40 PolarHBondContact N-O 2.9Å; W33-G40 PolarHBondContact O-N 3.08Å; W33-R90 VanDerWaalsContact CE3-NH1 3.26Å; W33-R90 VanDerWaalsContact CZ3-NH1 3.28Å |
| 34 | L | 63.3 | Low | 73.2 | Confident | 133 Ų | 133 | 67.8 Ų | 67.8 | 70% | 0.696 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 105.4 | 171.3 | -77.5 | 162.4 | 0 | 0 | 0 | 108.2 | I39 | L34-I39 HydrophobicContact CD2-CD1 4.39Å; L34-I39 HydrophobicContact CD2-CG1 3.68Å |
| 35 | N | 54.4 | Low | 74 | Confident | 132 Ų | 132 | 65.7 Ų | 65.7 | 71% | 0.706 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 95.4 | 168.1 | -86.7 | -2.2 | 0 | 0 | 0 | 108.4 | K37 E38 | N35-K37 PolarHBondContact O-N 2.94Å; N35-E38 PolarHBondContact N-O 2.96Å; N35-E38 PolarHBondContact O-N 3.26Å; N35-E38 VanDerWaalsContact O-N 3.11Å |
| 36 | G | 57.7 | Low | 74.4 | Confident | 79 Ų | 79 | 64.4 Ų | 64.4 | 81% | 0.814 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | -105.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 37 | K | 55 | Low | 74.7 | Confident | 212 Ų | 212 | 64.6 Ų | 64.6 | 92% | 0.922 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -8.6 | 178.5 | -67.6 | -171.7 | -179.5 | -178.8 | 0 | 114.4 | N35 | N35-K37 PolarHBondContact O-N 2.94Š|
| 38 | E | 43.8 | Very low | 75 | Confident | 156 Ų | 156 | 64.7 Ų | 64.7 | 73% | 0.729 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 137.6 | -178.5 | -72.3 | -171.4 | 166.3 | 0 | 0 | 111.7 | N35 | N35-E38 PolarHBondContact N-O 2.96Å; N35-E38 PolarHBondContact O-N 3.26Å; N35-E38 VanDerWaalsContact O-N 3.11Å |
| 39 | I | 65.3 | Low | 75.2 | Confident | 111 Ų | 111 | 64 Ų | 64 | 57% | 0.569 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 101.1 | 172.1 | -59.7 | 173.3 | 0 | 0 | 0 | 107.9 | W33 L34 | W33-I39 CarbonylContact O-C 3.51Å; W33-I39 WeakPolarHBondContact O-CA 3.35Å; L34-I39 HydrophobicContact CD2-CD1 4.39Å; L34-I39 HydrophobicContact CD2-CG1 3.68Å |
| 40 | G | 73.9 | Confident | 75.3 | Confident | 37 Ų | 37 | 64.9 Ų | 64.9 | 38% | 0.381 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 145.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | S32 W33 | S32-G40 CarbonylContact C-O 3.48Å; S32-G40 WeakPolarHBondContact CA-O 3.47Å; W33-G40 PolarHBondContact N-O 2.9Å; W33-G40 PolarHBondContact O-N 3.08Å |
| 41 | K | 79 | Confident | 75.1 | Confident | 154 Ų | 154 | 63.8 Ų | 63.8 | 67% | 0.67 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 126.6 | 170.8 | -68.3 | -177.4 | -176.5 | 173.1 | 0 | 109.6 | I31 | I31-K41 WeakPolarHBondContact O-CA 3.14Å |
| 42 | Q | 82.3 | Confident | 74.7 | Confident | 75 Ų | 75 | 70 Ų | 70 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131 | 174.5 | -173.3 | 178.1 | 5.4 | 0 | 0 | 109.2 | T30 I31 V44 | T30-Q42 CarbonylContact C-O 3.56Å; T30-Q42 WeakPolarHBondContact CA-O 3.33Å; I31-Q42 PolarHBondContact N-O 3.2Å; I31-Q42 PolarHBondContact O-N 3.01Å; Q42-V44 HydrophobicContact CG-CG1 4.19Å |
| 43 | K | 84.1 | Confident | 73.9 | Confident | 101 Ų | 101 | 70.6 Ų | 70.6 | 44% | 0.439 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 129.7 | 168.7 | -175.4 | -176.8 | 179.1 | -174.1 | 0 | 108.4 | G12 G29 P218 | G12-K43 PolarHBondContact O-NZ 3.4Å; G29-K43 WeakPolarHBondContact O-CA 3.42Å; K43-P218 HydrophobicContact CB-CG 4.43Å; K43-P218 HydrophobicContact CD-CG 4.27Å; K43-P218 HydrophobicContact CG-CG 4.14Å; K43-P218 WeakPolarHBondContact O-CD 3.23Å |
| 44 | V | 86.9 | Confident | 73.4 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 4% | 0.036 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 157.5 | 179 | -65.7 | 0 | 0 | 0 | 0 | 109.7 | C14 G29 I31 Q42 F46 V215 | C14-V44 VanDerWaalsContact SG-C 3.59Å; C14-V44 PolarHBondContact SG-O 3.04Å; G29-V44 PolarHBondContact N-O 3.47Å; G29-V44 PolarHBondContact O-N 3.18Å; I31-V44 HydrophobicContact CD1-CG1 4.32Å; I31-V44 HydrophobicContact CD1-CG2 3.9Å; I31-V44 HydrophobicContact CG1-CG2 3.8Å; Q42-V44 HydrophobicContact CG-CG1 4.19Å; V44-F46 HydrophobicContact CG2-CD2 4.43Å; V44-F46 HydrophobicContact CG2-CE1 4.37Å; V44-F46 HydrophobicContact CG2-CE2 3.5Å; V44-F46 VanDerWaalsContact CG2-CE2 3.5Å; V44-F46 HydrophobicContact CG2-CZ 3.44Å; V44-F46 VanDerWaalsContact CG2-CZ 3.44Å; V44-V215 HydrophobicContact CB-CG2 3.86Å; V44-V215 HydrophobicContact CG1-CG2 4.24Å; V44-V215 HydrophobicContact CG2-CG2 3.98Å |
| 45 | C | 86.1 | Confident | 72.9 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.02 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 152.4 | 171.3 | -50.2 | 0 | 0 | 0 | 0 | 109.5 | C14 F27 V215 H216 P218 | C14-C45 WeakPolarHBondContact CA-SG 3.24Å; C14-C45 HydrophobicContact CB-CB 3.83Å; C14-C45 WeakPolarHBondContact CB-SG 2.93Å; C14-C45 WeakPolarHBondContact SG-CA 3.01Å; C14-C45 WeakPolarHBondContact SG-CB 3.49Å; C14-C45 PolarHBondContact SG-N 2.82Å; C14-C45 CovalentContact SG-SG 2.03Å; C14-C45 PolarHBondContact SG-SG 3.48Å; F27-C45 CarbonylContact O-C 3.54Å; F27-C45 WeakPolarHBondContact O-CA 3.49Å; C45-V215 WeakPolarHBondContact O-CA 3.38Å; C45-H216 WeakPolarHBondContact CB-CE1 3.01Å; C45-H216 VanDerWaalsContact CB-NE2 3.32Å; C45-H216 WeakPolarHBondContact CB-NE2 2.95Å; C45-H216 PolarHBondContact N-O 2.94Å; C45-H216 PolarHBondContact O-N 3.21Å; C45-P218 WeakPolarHBondContact SG-CA 3.21Å |
| 46 | F | 87.6 | Confident | 72.8 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 0% | 0.004 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 130.7 | 175.7 | -60.7 | -85.4 | 0 | 0 | 0 | 108.8 | S26 F27 I31 V44 V83 M91 L93 L213 C214 V215 | S26-F46 CarbonylContact C-O 3.6Å; S26-F46 WeakPolarHBondContact CA-O 3.31Å; S26-F46 WeakPolarHBondContact CB-O 3.42Å; F27-F46 HydrophobicContact CB-CB 4.1Å; F27-F46 HydrophobicContact CB-CD2 4.45Å; F27-F46 HydrophobicContact CD2-CB 3.84Å; F27-F46 HydrophobicContact CG-CB 4.46Å; F27-F46 PolarHBondContact N-O 3.22Å; F27-F46 PolarHBondContact O-N 2.65Å; I31-F46 HydrophobicContact CD1-CZ 4.31Å; I31-F46 HydrophobicContact CG1-CZ 4.32Å; V44-F46 HydrophobicContact CG2-CD2 4.43Å; V44-F46 HydrophobicContact CG2-CE1 4.37Å; V44-F46 HydrophobicContact CG2-CE2 3.5Å; V44-F46 VanDerWaalsContact CG2-CE2 3.5Å; V44-F46 HydrophobicContact CG2-CZ 3.44Å; V44-F46 VanDerWaalsContact CG2-CZ 3.44Å; F46-V83 HydrophobicContact CD1-CG2 4.08Å; F46-V83 HydrophobicContact CE1-CG2 4.21Å; F46-M91 HydrophobicContact CD1-SD 3.99Å; F46-M91 HydrophobicContact CD2-SD 4.16Å; F46-M91 HydrophobicContact CE1-CG 4.28Å; F46-M91 HydrophobicContact CE1-SD 3.37Å; F46-M91 WeakPolarHBondContact CE1-SD 3.41Å; F46-M91 HydrophobicContact CE2-CG 3.91Å; F46-M91 HydrophobicContact CE2-SD 3.57Å; F46-M91 VanDerWaalsContact CE2-SD 3.57Å; F46-M91 HydrophobicContact CG-SD 4.35Å; F46-M91 HydrophobicContact CZ-CB 4.44Å; F46-M91 HydrophobicContact CZ-CG 3.53Å; F46-M91 HydrophobicContact CZ-SD 3.14Å; F46-M91 WeakPolarHBondContact CZ-SD 3.31Å; F46-L93 HydrophobicContact CD2-CD2 3.83Å; F46-L93 HydrophobicContact CE2-CD2 4Å; F46-L93 HydrophobicContact CG-CD2 4.45Å; F46-L213 HydrophobicContact CB-CD1 3.97Å; F46-L213 HydrophobicContact CB-CD2 3.97Å; F46-L213 HydrophobicContact CB-CG 3.99Å; F46-L213 HydrophobicContact CD1-CD2 3.7Å; F46-L213 HydrophobicContact CD1-CG 4.14Å; F46-L213 HydrophobicContact CG-CD2 4.12Å; F46-C214 CarbonylContact C-O 3.59Å; F46-C214 WeakPolarHBondContact CA-O 3.23Å; F46-V215 HydrophobicContact CD1-CB 3.87Å; F46-V215 HydrophobicContact CD1-CG2 4.04Å; F46-V215 HydrophobicContact CE1-CB 3.72Å; F46-V215 HydrophobicContact CE1-CG2 3.58Å; F46-V215 HydrophobicContact CZ-CG2 4.06Å |
| 47 | T | 87.6 | Confident | 72.4 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.043 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 120.9 | 179 | -62.3 | 0 | 0 | 0 | 0 | 108.9 | E17 C214 H216 | E17-T47 PolarHBondContact OE1-OG1 2.53Å; T47-C214 PolarHBondContact N-O 3.22Å; T47-C214 PolarHBondContact O-N 3.4Å; T47-H216 PolarHBondContact OG1-NE2 3.49Å |
| 48 | F | 88.1 | Confident | 72.4 | Confident | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.013 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 127.6 | 176.3 | 177.4 | -101 | 0 | 0 | 0 | 109.4 | Y25 F27 P50 L104 V106 G211 L213 | Y25-F48 AromaticContact CD2-CD1 3.89Å; Y25-F48 HydrophobicContact CD2-CD1 3.89Å; Y25-F48 HydrophobicContact CD2-CE1 4.4Å; Y25-F48 HydrophobicContact CD2-CG 4.44Å; Y25-F48 WeakPolarHBondContact O-CB 3.25Å; Y25-F48 PolarHBondContact O-N 3.23Å; F27-F48 HydrophobicContact CE2-CB 4.22Å; F48-P50 HydrophobicContact CD1-CG 4.16Å; F48-P50 HydrophobicContact CE1-CB 4.34Å; F48-P50 HydrophobicContact CE1-CG 3.91Å; F48-L104 HydrophobicContact CB-CD1 4.29Å; F48-L104 HydrophobicContact CD1-CD1 4.32Å; F48-L104 HydrophobicContact CD2-CB 4.47Å; F48-L104 HydrophobicContact CD2-CD1 3.93Å; F48-L104 HydrophobicContact CE1-CD2 4.18Å; F48-L104 HydrophobicContact CE2-CB 4.12Å; F48-L104 HydrophobicContact CE2-CD1 4.29Å; F48-L104 HydrophobicContact CG-CD1 3.92Å; F48-L104 HydrophobicContact CZ-CB 4.48Å; F48-L104 HydrophobicContact CZ-CD2 4.15Å; F48-V106 HydrophobicContact CD2-CG2 4.14Å; F48-V106 HydrophobicContact CE2-CG2 4.18Å; F48-G211 VanDerWaalsContact CE2-CA 3.5Å; F48-L213 HydrophobicContact CB-CD1 4.14Å |
| 49 | V | 86.2 | Confident | 72.9 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 109.3 | 178.8 | -174.8 | 0 | 0 | 0 | 0 | 107.6 | S53 Y72 G211 F212 | V49-S53 VanDerWaalsContact CG1-OG 3.25Å; V49-S53 WeakPolarHBondContact CG1-OG 3.29Å; V49-Y72 HydrophobicContact CB-CE1 4.29Å; V49-Y72 HydrophobicContact CG1-CD1 4.22Å; V49-Y72 HydrophobicContact CG1-CE1 3.76Å; V49-Y72 HydrophobicContact CG1-CE2 4.32Å; V49-Y72 HydrophobicContact CG2-CD1 4.02Å; V49-Y72 HydrophobicContact CG2-CE1 3.51Å; V49-G211 CarbonylContact O-C 3.56Å; V49-G211 WeakPolarHBondContact O-CA 3.49Å; V49-F212 HydrophobicContact CB-CD1 4.1Å; V49-F212 HydrophobicContact CB-CD2 4.16Å; V49-F212 HydrophobicContact CB-CE1 3.7Å; V49-F212 HydrophobicContact CB-CE2 3.79Å; V49-F212 HydrophobicContact CB-CG 4.32Å; V49-F212 HydrophobicContact CB-CZ 3.55Å; V49-F212 HydrophobicContact CG1-CD1 4.34Å; V49-F212 HydrophobicContact CG1-CE1 3.51Å; V49-F212 HydrophobicContact CG1-CE2 4.12Å; V49-F212 HydrophobicContact CG1-CZ 3.39Å; V49-F212 HydrophobicContact CG2-CD2 4.44Å; V49-F212 HydrophobicContact CG2-CE2 3.92Å; V49-F212 HydrophobicContact CG2-CZ 4.06Å; V49-F212 PolarHBondContact N-O 3.35Å; V49-F212 PolarHBondContact O-N 3.04Å |
| 50 | P | 85 | Confident | 72.7 | Confident | 19 Ų | 19 | 52 Ų | 52 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 138.1 | 175.6 | -27.8 | 37.1 | 0 | 0 | 0 | 111.9 | R23 F48 D52 S53 | R23-P50 HydrophobicContact CB-CG 4.45Å; F48-P50 HydrophobicContact CD1-CG 4.16Å; F48-P50 HydrophobicContact CE1-CB 4.34Å; F48-P50 HydrophobicContact CE1-CG 3.91Å; P50-D52 VanDerWaalsContact C-N 3.29Å; P50-D52 WeakPolarHBondContact CB-OD1 3.08Å; P50-D52 PolarHBondContact O-N 3.44Å; P50-S53 WeakPolarHBondContact O-CB 3.43Å; P50-S53 PolarHBondContact O-N 2.63Å; P50-S53 VanDerWaalsContact O-N 3.11Å; P50-S53 PolarHBondContact O-OG 2.89Å |
| 51 | I | 79.2 | Confident | 72.5 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -70.4 | -25 | -173.9 | -165.1 | 76.3 | 0 | 0 | 0 | 113.6 | S53 V54 M59 M69 Y107 V206 S210 F212 | I51-S53 PolarHBondContact O-N 3.2Å; I51-S53 VanDerWaalsContact O-N 3.15Å; I51-V54 HydrophobicContact CD1-CG2 3.79Å; I51-V54 HydrophobicContact CG1-CG2 4.31Å; I51-V54 VanDerWaalsContact O-CB 3.28Å; I51-V54 WeakPolarHBondContact O-CB 3.23Å; I51-V54 WeakPolarHBondContact O-CG2 3.46Å; I51-V54 PolarHBondContact O-N 2.99Å; I51-M59 HydrophobicContact CB-CE 4.5Å; I51-M59 HydrophobicContact CD1-CE 3.52Å; I51-M59 HydrophobicContact CG1-CE 3.47Å; I51-M59 VanDerWaalsContact CG1-CE 3.47Å; I51-M69 HydrophobicContact CD1-CE 3.74Å; I51-Y107 HydrophobicContact CD1-CD2 4.47Å; I51-V206 HydrophobicContact CG2-CB 4.38Å; I51-V206 HydrophobicContact CG2-CG1 3.4Å; I51-V206 HydrophobicContact CG2-CG2 4.26Å; I51-S210 WeakPolarHBondContact CG2-O 3.37Å; I51-S210 PolarHBondContact N-O 2.78Å; I51-S210 VanDerWaalsContact N-O 3.1Å; I51-F212 HydrophobicContact CD1-CD1 4.45Å |
| 52 | D | 71.3 | Confident | 72.1 | Confident | 133 Ų | 133 | 46.6 Ų | 46.6 | 71% | 0.711 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -62.4 | -14.7 | 171.9 | 57.5 | -20.2 | 0 | 0 | 0 | 112.9 | P50 V54 | P50-D52 VanDerWaalsContact C-N 3.29Å; P50-D52 WeakPolarHBondContact CB-OD1 3.08Å; P50-D52 PolarHBondContact O-N 3.44Å; D52-V54 VanDerWaalsContact C-N 3.31Å |
| 53 | S | 62.5 | Low | 71.7 | Confident | 49 Ų | 49 | 46.1 Ų | 46.1 | 34% | 0.343 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -79.6 | -6.9 | 170 | 73.5 | 0 | 0 | 0 | 0 | 114.6 | V49 P50 I51 P55 Y68 | V49-S53 VanDerWaalsContact CG1-OG 3.25Å; V49-S53 WeakPolarHBondContact CG1-OG 3.29Å; P50-S53 WeakPolarHBondContact O-CB 3.43Å; P50-S53 PolarHBondContact O-N 2.63Å; P50-S53 VanDerWaalsContact O-N 3.11Å; P50-S53 PolarHBondContact O-OG 2.89Å; I51-S53 PolarHBondContact O-N 3.2Å; I51-S53 VanDerWaalsContact O-N 3.15Å; S53-P55 WeakPolarHBondContact O-CD 3.41Å; S53-Y68 PolarHBondContact O-OH 3.11Å |
| 54 | V | 62.4 | Low | 71.4 | Confident | 15 Ų | 15 | 46.6 Ų | 46.6 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -83.9 | 115.8 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | I51 D52 N56 A57 Y68 F212 | I51-V54 HydrophobicContact CD1-CG2 3.79Å; I51-V54 HydrophobicContact CG1-CG2 4.31Å; I51-V54 VanDerWaalsContact O-CB 3.28Å; I51-V54 WeakPolarHBondContact O-CB 3.23Å; I51-V54 WeakPolarHBondContact O-CG2 3.46Å; I51-V54 PolarHBondContact O-N 2.99Å; D52-V54 VanDerWaalsContact C-N 3.31Å; V54-N56 PolarHBondContact O-N 2.88Å; V54-A57 HydrophobicContact CB-CB 4.34Å; V54-A57 PolarHBondContact O-N 3.09Å; V54-Y68 HydrophobicContact CB-CD1 4.16Å; V54-Y68 HydrophobicContact CB-CE1 3.9Å; V54-Y68 HydrophobicContact CG1-CD1 3.5Å; V54-Y68 VanDerWaalsContact CG1-CD1 3.5Å; V54-Y68 HydrophobicContact CG1-CD2 4.38Å; V54-Y68 HydrophobicContact CG1-CE1 3.68Å; V54-Y68 HydrophobicContact CG1-CG 3.89Å; V54-Y68 HydrophobicContact CG2-CD1 3.84Å; V54-Y68 HydrophobicContact CG2-CE1 3.58Å; V54-F212 HydrophobicContact CG2-CE1 3.9Å |
| 55 | P | 53 | Low | 71.1 | Confident | 85 Ų | 85 | 47 Ų | 47 | 55% | 0.552 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 128.9 | 169.2 | -17.2 | 29.5 | 0 | 0 | 0 | 109.3 | S53 Y68 | S53-P55 WeakPolarHBondContact O-CD 3.41Å; P55-Y68 WeakPolarHBondContact CD-OH 3.49Å; P55-Y68 HydrophobicContact CG-CE2 4.03Å |
| 56 | N | 52.6 | Low | 71 | Confident | 148 Ų | 148 | 46.9 Ų | 46.9 | 79% | 0.791 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 46.8 | -175.9 | -54.5 | -24.5 | 0 | 0 | 0 | 114 | V54 S58 | V54-N56 PolarHBondContact O-N 2.88Å; N56-S58 PolarHBondContact O-N 3.22Å |
| 57 | A | 49.2 | Very low | 70.9 | Confident | 30 Ų | 30 | 50.6 Ų | 50.6 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | trans | -56.4 | 12.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | V54 M59 | V54-A57 HydrophobicContact CB-CB 4.34Å; V54-A57 PolarHBondContact O-N 3.09Å; A57-M59 VanDerWaalsContact C-N 3.3Å; A57-M59 PolarHBondContact O-N 3.17Å | ||
| 58 | S | 54.2 | Low | 70.8 | Confident | 78 Ų | 78 | 53.3 Ų | 53.3 | 55% | 0.545 | 29% | 0.292 | S | S | . | . | trans | -68.8 | 95.1 | 163 | 66.8 | 0 | 0 | 0 | 0 | 107.7 | N56 Q60 | N56-S58 PolarHBondContact O-N 3.22Å; S58-Q60 PolarHBondContact O-N 3.05Å | ||
| 59 | M | 54.9 | Low | 70.8 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 12.3 | 173.6 | -61.3 | -177.1 | -172.1 | 0 | 0 | 114.5 | I51 A57 D61 Y107 W181 G203 V206 | I51-M59 HydrophobicContact CB-CE 4.5Å; I51-M59 HydrophobicContact CD1-CE 3.52Å; I51-M59 HydrophobicContact CG1-CE 3.47Å; I51-M59 VanDerWaalsContact CG1-CE 3.47Å; A57-M59 VanDerWaalsContact C-N 3.3Å; A57-M59 PolarHBondContact O-N 3.17Å; M59-D61 VanDerWaalsContact C-N 3.28Å; M59-D61 PolarHBondContact O-N 3.38Å; M59-Y107 HydrophobicContact CE-CD1 4.41Å; M59-Y107 HydrophobicContact CE-CD2 3.54Å; M59-Y107 HydrophobicContact CE-CE1 4.22Å; M59-Y107 HydrophobicContact CE-CE2 3.23Å; M59-Y107 HydrophobicContact CE-CG 4.14Å; M59-Y107 HydrophobicContact SD-CE1 4.34Å; M59-Y107 HydrophobicContact SD-CE2 4.34Å; M59-W181 HydrophobicContact CB-CZ2 3.69Å; M59-W181 HydrophobicContact CG-CZ2 3.88Å; M59-W181 HydrophobicContact SD-CD2 4.09Å; M59-W181 HydrophobicContact SD-CG 4.4Å; M59-W181 HydrophobicContact SD-CZ2 4.01Å; M59-G203 WeakPolarHBondContact CB-O 3.39Å; M59-V206 HydrophobicContact CE-CG2 4.32Å |
| 60 | Q | 59.6 | Low | 70.9 | Confident | 138 Ų | 138 | 53.4 Ų | 53.4 | 65% | 0.645 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -38.7 | 176 | -72.4 | -176.8 | -11.4 | 0 | 0 | 111.1 | S58 A62 | S58-Q60 PolarHBondContact O-N 3.05Å; Q60-A62 PolarHBondContact O-N 3.33Å |
| 61 | D | 70.4 | Confident | 71.1 | Confident | 77 Ų | 77 | 56.2 Ų | 56.2 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -92.1 | 83.6 | 170.3 | -162.8 | -32.3 | 0 | 0 | 0 | 110.3 | M59 F63 L64 A65 | M59-D61 VanDerWaalsContact C-N 3.28Å; M59-D61 PolarHBondContact O-N 3.38Å; D61-F63 PolarHBondContact O-N 2.86Å; D61-F63 VanDerWaalsContact O-N 3.17Å; D61-F63 WeakPolarHBondContact OD1-CB 3.03Å; D61-F63 PolarHBondContact OD1-N 3.16Å; D61-F63 VanDerWaalsContact OD1-N 3.16Å; D61-L64 HydrophobicContact CB-CB 4.11Å; D61-L64 HydrophobicContact CB-CD1 4.04Å; D61-L64 HydrophobicContact CB-CG 4.21Å; D61-L64 PolarHBondContact O-N 2.84Å; D61-L64 PolarHBondContact OD1-N 3.42Å; D61-L64 VanDerWaalsContact OD1-N 3.13Å; D61-L64 WeakPolarHBondContact OD2-CD1 3.37Å; D61-L64 WeakPolarHBondContact OD2-CG 3.24Å; D61-A65 WeakPolarHBondContact O-CB 3.42Å; D61-A65 PolarHBondContact O-N 2.84Å |
| 62 | A | 71 | Confident | 71.5 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -50.1 | -37.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q60 V66 I111 P179 | Q60-A62 PolarHBondContact O-N 3.33Å; A62-V66 WeakPolarHBondContact O-CG2 3.42Å; A62-V66 PolarHBondContact O-N 3.39Å; A62-I111 HydrophobicContact CB-CB 4.46Å; A62-I111 HydrophobicContact CB-CD1 3.67Å; A62-I111 HydrophobicContact CB-CG2 3.75Å; A62-P179 HydrophobicContact CB-CB 3.9Å; A62-P179 HydrophobicContact CB-CG 3.97Å |
| 63 | F | 74 | Confident | 72.3 | Confident | 64 Ų | 64 | 51.2 Ų | 51.2 | 28% | 0.281 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.9 | -50.7 | -179.2 | -77.2 | -91 | 0 | 0 | 0 | 111.7 | D61 A65 V66 E67 Y130 V132 F141 | D61-F63 PolarHBondContact O-N 2.86Å; D61-F63 VanDerWaalsContact O-N 3.17Å; D61-F63 WeakPolarHBondContact OD1-CB 3.03Å; D61-F63 PolarHBondContact OD1-N 3.16Å; D61-F63 VanDerWaalsContact OD1-N 3.16Å; F63-A65 PolarHBondContact O-N 3.34Å; F63-V66 PolarHBondContact O-N 3.5Å; F63-E67 WeakPolarHBondContact O-CB 3.34Å; F63-E67 PolarHBondContact O-N 2.99Å; F63-E67 VanDerWaalsContact O-N 3.09Å; F63-Y130 HydrophobicContact CE2-CD2 4.44Å; F63-Y130 HydrophobicContact CE2-CE2 4.08Å; F63-V132 HydrophobicContact CD1-CG1 4.47Å; F63-V132 HydrophobicContact CD1-CG2 3.64Å; F63-V132 HydrophobicContact CD2-CG2 4.3Å; F63-V132 HydrophobicContact CE1-CG2 3.42Å; F63-V132 VanDerWaalsContact CE1-CG2 3.42Å; F63-V132 HydrophobicContact CE2-CG2 4.1Å; F63-V132 HydrophobicContact CG-CG2 4.12Å; F63-V132 HydrophobicContact CZ-CG2 3.72Å; F63-F141 AromaticContact CE1-CD2 3.42Å; F63-F141 HydrophobicContact CE1-CD2 3.42Å; F63-F141 VanDerWaalsContact CE1-CD2 3.42Å; F63-F141 AromaticContact CE1-CE2 3.87Å; F63-F141 HydrophobicContact CE1-CE2 3.87Å; F63-F141 HydrophobicContact CE1-CG 4.15Å; F63-F141 HydrophobicContact CE2-CD2 4.47Å; F63-F141 HydrophobicContact CE2-CE2 4.13Å; F63-F141 AromaticContact CZ-CD2 3.28Å; F63-F141 HydrophobicContact CZ-CD2 3.28Å; F63-F141 AromaticContact CZ-CE2 3.19Å; F63-F141 HydrophobicContact CZ-CE2 3.19Å; F63-F141 HydrophobicContact CZ-CG 4.27Å; F63-F141 HydrophobicContact CZ-CZ 4.11Å |
| 64 | L | 78.2 | Confident | 73.5 | Confident | 112 Ų | 112 | 53.5 Ų | 53.5 | 59% | 0.586 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.5 | -36.9 | 178.1 | -68.3 | 179.2 | 0 | 0 | 0 | 111.2 | D61 Y68 | D61-L64 HydrophobicContact CB-CB 4.11Å; D61-L64 HydrophobicContact CB-CD1 4.04Å; D61-L64 HydrophobicContact CB-CG 4.21Å; D61-L64 PolarHBondContact O-N 2.84Å; D61-L64 PolarHBondContact OD1-N 3.42Å; D61-L64 VanDerWaalsContact OD1-N 3.13Å; D61-L64 WeakPolarHBondContact OD2-CD1 3.37Å; D61-L64 WeakPolarHBondContact OD2-CG 3.24Å; L64-Y68 VanDerWaalsContact O-CB 3.29Å; L64-Y68 WeakPolarHBondContact O-CB 3.11Å; L64-Y68 PolarHBondContact O-N 3.39Å |
| 65 | A | 80 | Confident | 74.4 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 12% | 0.116 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.4 | -45.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D61 F63 E67 Y68 M69 W181 | D61-A65 WeakPolarHBondContact O-CB 3.42Å; D61-A65 PolarHBondContact O-N 2.84Å; F63-A65 PolarHBondContact O-N 3.34Å; A65-E67 VanDerWaalsContact C-N 3.34Å; A65-E67 PolarHBondContact O-N 2.92Å; A65-Y68 WeakPolarHBondContact O-CB 3.49Å; A65-Y68 PolarHBondContact O-N 2.92Å; A65-M69 VanDerWaalsContact O-CG 3.29Å; A65-M69 WeakPolarHBondContact O-CG 3.48Å; A65-M69 PolarHBondContact O-N 2.02Å; A65-W181 HydrophobicContact CB-CH2 3.5Å; A65-W181 HydrophobicContact CB-CZ2 3.69Å |
| 66 | V | 84 | Confident | 75.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 176.4 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | A62 F63 Y68 M69 Q70 I111 V132 I134 W181 | A62-V66 WeakPolarHBondContact O-CG2 3.42Å; A62-V66 PolarHBondContact O-N 3.39Å; F63-V66 PolarHBondContact O-N 3.5Å; V66-Y68 VanDerWaalsContact C-N 3.34Å; V66-M69 PolarHBondContact O-N 3.35Å; V66-Q70 PolarHBondContact O-N 2.02Å; V66-I111 HydrophobicContact CG2-CD1 3.19Å; V66-I111 HydrophobicContact CG2-CG1 3.94Å; V66-V132 HydrophobicContact CB-CG1 4.33Å; V66-V132 HydrophobicContact CG1-CG1 4.21Å; V66-V132 HydrophobicContact CG2-CG1 4.31Å; V66-I134 HydrophobicContact CG1-CD1 3.94Å; V66-I134 HydrophobicContact CG1-CG1 3.3Å; V66-W181 HydrophobicContact CG2-CH2 4.33Å; V66-W181 HydrophobicContact CG2-CZ3 4.37Å |
| 67 | E | 85 | Confident | 77.1 | Confident | 79 Ų | 79 | 49.8 Ų | 49.8 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 177.6 | -172.2 | 162.4 | 160.5 | 0 | 0 | 111.3 | F63 A65 Q70 N71 K139 | F63-E67 WeakPolarHBondContact O-CB 3.34Å; F63-E67 PolarHBondContact O-N 2.99Å; F63-E67 VanDerWaalsContact O-N 3.09Å; A65-E67 VanDerWaalsContact C-N 3.34Å; A65-E67 PolarHBondContact O-N 2.92Å; E67-Q70 PolarHBondContact O-N 3.44Å; E67-N71 VanDerWaalsContact O-CB 3.24Å; E67-N71 WeakPolarHBondContact O-CB 3.39Å; E67-N71 PolarHBondContact O-N 2.94Å; E67-N71 PolarHBondContact O-ND2 3.44Å; E67-K139 IonicContact OE2-NZ 3.9Å; E67-K139 PolarHBondContact OE2-NZ 2.72Å |
| 68 | Y | 85.2 | Confident | 78.5 | Confident | 64 Ų | 64 | 51.5 Ų | 51.5 | 25% | 0.251 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.8 | -49.3 | 172 | 178.3 | -84 | 0 | 0 | 0 | 111.8 | S53 V54 P55 L64 A65 V66 Q70 N71 Y72 | S53-Y68 PolarHBondContact O-OH 3.11Å; V54-Y68 HydrophobicContact CB-CD1 4.16Å; V54-Y68 HydrophobicContact CB-CE1 3.9Å; V54-Y68 HydrophobicContact CG1-CD1 3.5Å; V54-Y68 VanDerWaalsContact CG1-CD1 3.5Å; V54-Y68 HydrophobicContact CG1-CD2 4.38Å; V54-Y68 HydrophobicContact CG1-CE1 3.68Å; V54-Y68 HydrophobicContact CG1-CG 3.89Å; V54-Y68 HydrophobicContact CG2-CD1 3.84Å; V54-Y68 HydrophobicContact CG2-CE1 3.58Å; P55-Y68 WeakPolarHBondContact CD-OH 3.49Å; P55-Y68 HydrophobicContact CG-CE2 4.03Å; L64-Y68 VanDerWaalsContact O-CB 3.29Å; L64-Y68 WeakPolarHBondContact O-CB 3.11Å; L64-Y68 PolarHBondContact O-N 3.39Å; A65-Y68 WeakPolarHBondContact O-CB 3.49Å; A65-Y68 PolarHBondContact O-N 2.92Å; V66-Y68 VanDerWaalsContact C-N 3.34Å; Y68-Q70 VanDerWaalsContact C-N 3.33Å; Y68-Q70 PolarHBondContact O-N 2.88Å; Y68-N71 PolarHBondContact O-N 3.45Å; Y68-Y72 HydrophobicContact CE1-CD2 4.2Å; Y68-Y72 HydrophobicContact CE1-CG 4.49Å; Y68-Y72 WeakPolarHBondContact O-CB 3.25Å; Y68-Y72 PolarHBondContact O-N 3.35Å |
| 69 | M | 88.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.1 | -45.5 | -179 | -69 | 174.7 | -173.6 | 0 | 0 | 111.3 | I51 A65 V66 Y72 C73 V82 W181 F212 | I51-M69 HydrophobicContact CD1-CE 3.74Å; A65-M69 VanDerWaalsContact O-CG 3.29Å; A65-M69 WeakPolarHBondContact O-CG 3.48Å; A65-M69 PolarHBondContact O-N 2.02Å; V66-M69 PolarHBondContact O-N 3.35Å; M69-Y72 PolarHBondContact O-N 3.26Å; M69-C73 PolarHBondContact O-N 3.13Å; M69-C73 VanDerWaalsContact O-N 3.07Å; M69-C73 PolarHBondContact O-SG 3.47Å; M69-V82 HydrophobicContact CB-CB 4.24Å; M69-V82 HydrophobicContact CB-CG2 4.01Å; M69-W181 HydrophobicContact CE-CE3 4.45Å; M69-W181 HydrophobicContact CE-CH2 3.56Å; M69-W181 HydrophobicContact CE-CZ3 3.4Å; M69-W181 HydrophobicContact SD-CH2 4.3Å; M69-W181 HydrophobicContact SD-CZ3 3.86Å; M69-F212 HydrophobicContact CB-CD2 3.96Å; M69-F212 HydrophobicContact CB-CE2 4.03Å; M69-F212 HydrophobicContact CB-CG 4.21Å; M69-F212 HydrophobicContact CB-CZ 4.35Å; M69-F212 HydrophobicContact CE-CB 4.39Å; M69-F212 HydrophobicContact CE-CD1 4.24Å; M69-F212 HydrophobicContact CG-CB 4.28Å; M69-F212 HydrophobicContact CG-CD1 3.73Å; M69-F212 HydrophobicContact CG-CD2 4.02Å; M69-F212 HydrophobicContact CG-CE1 3.97Å; M69-F212 HydrophobicContact CG-CE2 4.22Å; M69-F212 HydrophobicContact CG-CG 3.75Å; M69-F212 HydrophobicContact CG-CZ 4.19Å; M69-F212 HydrophobicContact SD-CB 3.86Å; M69-F212 HydrophobicContact SD-CD1 4.22Å; M69-F212 HydrophobicContact SD-CG 4.01Å |
| 70 | Q | 90 | Very high | 81.5 | Confident | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.028 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.7 | -49.5 | 177 | -179.3 | 57.7 | 24.7 | 0 | 0 | 111.3 | V66 E67 Y68 Y72 C73 E74 V82 I134 | V66-Q70 PolarHBondContact O-N 2.02Å; E67-Q70 PolarHBondContact O-N 3.44Å; Y68-Q70 VanDerWaalsContact C-N 3.33Å; Y68-Q70 PolarHBondContact O-N 2.88Å; Q70-Y72 PolarHBondContact O-N 3.18Å; Q70-C73 PolarHBondContact O-N 3.4Å; Q70-C73 VanDerWaalsContact O-N 3.1Å; Q70-E74 HydrophobicContact CG-CG 4.47Å; Q70-E74 VanDerWaalsContact NE2-CD 3.31Å; Q70-E74 VanDerWaalsContact NE2-CG 3.31Å; Q70-E74 PolarHBondContact NE2-OE1 2.91Å; Q70-E74 PolarHBondContact O-N 2.85Å; Q70-V82 HydrophobicContact CB-CG1 4.14Å; Q70-I134 HydrophobicContact CB-CD1 4.09Å; Q70-I134 HydrophobicContact CB-CG1 4.36Å; Q70-I134 HydrophobicContact CG-CD1 4.18Å; Q70-I134 HydrophobicContact CG-CG2 4.36Å |
| 71 | N | 88.1 | Confident | 83 | Confident | 77 Ų | 77 | 48.7 Ų | 48.7 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60 | -36.4 | 178.6 | -71.8 | -17.5 | 0 | 0 | 0 | 111.8 | E67 Y68 K75 | E67-N71 VanDerWaalsContact O-CB 3.24Å; E67-N71 WeakPolarHBondContact O-CB 3.39Å; E67-N71 PolarHBondContact O-N 2.94Å; E67-N71 PolarHBondContact O-ND2 3.44Å; Y68-N71 PolarHBondContact O-N 3.45Å; N71-K75 WeakPolarHBondContact O-CB 3.35Å; N71-K75 PolarHBondContact O-N 3.46Å |
| 72 | Y | 87.2 | Confident | 84 | Confident | 33 Ų | 33 | 45 Ų | 45 | 13% | 0.129 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.5 | -50.1 | 174.3 | -176.9 | -79.6 | 0 | 0 | 0 | 110.7 | V49 Y68 M69 Q70 K75 N76 F212 | V49-Y72 HydrophobicContact CB-CE1 4.29Å; V49-Y72 HydrophobicContact CG1-CD1 4.22Å; V49-Y72 HydrophobicContact CG1-CE1 3.76Å; V49-Y72 HydrophobicContact CG1-CE2 4.32Å; V49-Y72 HydrophobicContact CG2-CD1 4.02Å; V49-Y72 HydrophobicContact CG2-CE1 3.51Å; Y68-Y72 HydrophobicContact CE1-CD2 4.2Å; Y68-Y72 HydrophobicContact CE1-CG 4.49Å; Y68-Y72 WeakPolarHBondContact O-CB 3.25Å; Y68-Y72 PolarHBondContact O-N 3.35Å; M69-Y72 PolarHBondContact O-N 3.26Å; Q70-Y72 PolarHBondContact O-N 3.18Å; Y72-K75 PolarHBondContact O-N 2.98Å; Y72-N76 HydrophobicContact CE1-CB 4.28Å; Y72-N76 WeakPolarHBondContact O-CB 3.49Å; Y72-N76 PolarHBondContact O-N 3.31Å; Y72-N76 PolarHBondContact O-ND2 2.85Å; Y72-F212 HydrophobicContact CD1-CE2 4.05Å; Y72-F212 AromaticContact CD1-CZ 3.91Å; Y72-F212 HydrophobicContact CD1-CZ 3.91Å; Y72-F212 HydrophobicContact CG-CE2 4.4Å; Y72-F212 AromaticContact CG-CZ 3.96Å; Y72-F212 HydrophobicContact CG-CZ 3.96Å |
| 73 | C | 88 | Confident | 84.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | -179.6 | -61.4 | 0 | 0 | 0 | 0 | 111.1 | M69 Q70 L77 C214 | M69-C73 PolarHBondContact O-N 3.13Å; M69-C73 VanDerWaalsContact O-N 3.07Å; M69-C73 PolarHBondContact O-SG 3.47Å; Q70-C73 PolarHBondContact O-N 3.4Å; Q70-C73 VanDerWaalsContact O-N 3.1Å; C73-L77 WeakPolarHBondContact O-CA 3.12Å; C73-L77 WeakPolarHBondContact O-CB 3.49Å; C73-L77 PolarHBondContact O-N 2.67Å; C73-C214 WeakPolarHBondContact CA-SG 3.3Å; C73-C214 HydrophobicContact CB-CB 3.8Å; C73-C214 WeakPolarHBondContact CB-SG 3.32Å; C73-C214 VanDerWaalsContact SG-CA 3.53Å; C73-C214 WeakPolarHBondContact SG-CB 3.33Å; C73-C214 CovalentContact SG-SG 2.04Å; C73-C214 PolarHBondContact SG-SG 3.41Å |
| 74 | E | 87.8 | Confident | 85.4 | Confident | 98 Ų | 98 | 42.3 Ų | 42.3 | 46% | 0.458 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 179.2 | -71.6 | 179.5 | 173.7 | 0 | 0 | 112.6 | Q70 N76 G80 | Q70-E74 HydrophobicContact CG-CG 4.47Å; Q70-E74 VanDerWaalsContact NE2-CD 3.31Å; Q70-E74 VanDerWaalsContact NE2-CG 3.31Å; Q70-E74 PolarHBondContact NE2-OE1 2.91Å; Q70-E74 PolarHBondContact O-N 2.85Å; E74-N76 VanDerWaalsContact C-N 3.35Å; E74-N76 PolarHBondContact O-N 2.92Å; E74-G80 WeakPolarHBondContact CG-O 3.24Å; E74-G80 PolarHBondContact N-O 2.98Å |
| 75 | K | 82.5 | Confident | 85.4 | Confident | 132 Ų | 132 | 37.4 Ų | 37.4 | 57% | 0.574 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -71.7 | -28.8 | -176.6 | -176.5 | 174.6 | 179.6 | 176 | 0 | 112.9 | N71 Y72 G257 | N71-K75 WeakPolarHBondContact O-CB 3.35Å; N71-K75 PolarHBondContact O-N 3.46Å; Y72-K75 PolarHBondContact O-N 2.98Å; K75-G257 WeakPolarHBondContact O-CA 3.31Å |
| 76 | N | 79.6 | Confident | 85.4 | Confident | 28 Ų | 28 | 40.2 Ų | 40.2 | 15% | 0.15 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -105.6 | -21.6 | -172.8 | -66.6 | -81.5 | 0 | 0 | 0 | 113.6 | Y72 E74 | Y72-N76 HydrophobicContact CE1-CB 4.28Å; Y72-N76 WeakPolarHBondContact O-CB 3.49Å; Y72-N76 PolarHBondContact O-N 3.31Å; Y72-N76 PolarHBondContact O-ND2 2.85Å; E74-N76 VanDerWaalsContact C-N 3.35Å; E74-N76 PolarHBondContact O-N 2.92Å |
| 77 | L | 82.3 | Confident | 85.3 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -132.8 | 136.4 | -171 | -57 | 165.3 | 0 | 0 | 0 | 110.5 | C73 N79 G80 C214 H216 | C73-L77 WeakPolarHBondContact O-CA 3.12Å; C73-L77 WeakPolarHBondContact O-CB 3.49Å; C73-L77 PolarHBondContact O-N 2.67Å; L77-N79 PolarHBondContact O-N 2.97Å; L77-G80 WeakPolarHBondContact O-CA 3.12Å; L77-G80 PolarHBondContact O-N 2.67Å; L77-C214 HydrophobicContact CD1-CB 3.33Å; L77-H216 HydrophobicContact CB-CB 3.84Å |
| 78 | S | 77.9 | Confident | 84.9 | Confident | 66 Ų | 66 | 36.7 Ų | 36.7 | 46% | 0.462 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 121.5 | -177.5 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | G80 H216 E217 | S78-G80 PolarHBondContact O-N 2.75Å; S78-H216 WeakPolarHBondContact O-CB 3.24Å; S78-E217 PolarHBondContact O-N 3Å |
| 79 | N | 83.7 | Confident | 84.6 | Confident | 110 Ų | 110 | 39.4 Ų | 39.4 | 59% | 0.588 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 32.7 | -171.4 | -63.6 | -39.2 | 0 | 0 | 0 | 112.1 | L77 E217 | L77-N79 PolarHBondContact O-N 2.97Å; N79-E217 HydrophobicContact CB-CG 4.2Å; N79-E217 PolarHBondContact ND2-OE2 3.05Å |
| 80 | G | 88.2 | Confident | 84 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | trans | -68.2 | 134 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E74 L77 S78 V215 | E74-G80 WeakPolarHBondContact CG-O 3.24Å; E74-G80 PolarHBondContact N-O 2.98Å; L77-G80 WeakPolarHBondContact O-CA 3.12Å; L77-G80 PolarHBondContact O-N 2.67Å; S78-G80 PolarHBondContact O-N 2.75Å; G80-V215 CarbonylContact C-O 3.48Å; G80-V215 WeakPolarHBondContact CA-O 3.49Å | ||
| 81 | Q | 91.5 | Very high | 83.4 | Confident | 48 Ų | 48 | 43.6 Ų | 43.6 | 22% | 0.224 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 144 | 176.6 | -60.5 | -174.9 | -12.3 | 0 | 0 | 109.8 | V83 M87 N136 C214 V215 | Q81-V83 PolarHBondContact O-N 2.82Å; Q81-M87 VanDerWaalsContact OE1-CE 3.29Å; Q81-N136 VanDerWaalsContact NE2-C 3.29Å; Q81-N136 PolarHBondContact NE2-O 2.78Å; Q81-C214 CarbonylContact O-C 3.49Å; Q81-C214 WeakPolarHBondContact O-CA 3.43Å; Q81-V215 HydrophobicContact CB-CG1 4.12Å; Q81-V215 PolarHBondContact N-O 3.22Å; Q81-V215 WeakPolarHBondContact O-CG1 3.29Å; Q81-V215 PolarHBondContact O-N 2.89Å |
| 82 | V | 91.6 | Very high | 82.8 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 135.9 | 170.8 | 62.5 | 0 | 0 | 0 | 0 | 109.3 | M69 Q70 N84 S109 I134 F212 | M69-V82 HydrophobicContact CB-CB 4.24Å; M69-V82 HydrophobicContact CB-CG2 4.01Å; Q70-V82 HydrophobicContact CB-CG1 4.14Å; V82-N84 PolarHBondContact O-N 2.86Å; V82-S109 VanDerWaalsContact CG1-CB 3.48Å; V82-I134 HydrophobicContact CG1-CB 3.96Å; V82-I134 HydrophobicContact CG1-CG1 4.05Å; V82-I134 HydrophobicContact CG1-CG2 4.1Å; V82-F212 HydrophobicContact CG2-CB 4.43Å; V82-F212 HydrophobicContact CG2-CD2 4.24Å |
| 83 | V | 88.7 | Confident | 82.1 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | trans | -69.7 | 132.3 | -178 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | F46 Q81 L88 T108 S109 L213 V215 | F46-V83 HydrophobicContact CD1-CG2 4.08Å; F46-V83 HydrophobicContact CE1-CG2 4.21Å; Q81-V83 PolarHBondContact O-N 2.82Å; V83-L88 HydrophobicContact CG1-CD1 3.95Å; V83-L88 HydrophobicContact CG1-CD2 3.45Å; V83-L88 VanDerWaalsContact CG1-CD2 3.45Å; V83-L88 HydrophobicContact CG1-CG 3.36Å; V83-T108 WeakPolarHBondContact O-CA 3.15Å; V83-S109 PolarHBondContact O-N 3.49Å; V83-L213 HydrophobicContact CB-CB 4.11Å; V83-L213 WeakPolarHBondContact CB-O 3.19Å; V83-L213 HydrophobicContact CG2-CB 3.98Å; V83-L213 HydrophobicContact CG2-CD2 4.07Å; V83-L213 HydrophobicContact CG2-CG 4.05Å; V83-L213 VanDerWaalsContact CG2-O 3.29Å; V83-L213 WeakPolarHBondContact CG2-O 3.34Å; V83-L213 PolarHBondContact N-O 3.21Å; V83-V215 HydrophobicContact CG2-CB 3.79Å; V83-V215 HydrophobicContact CG2-CG1 3.93Å | ||
| 84 | N | 86.8 | Confident | 81.2 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | trans | -109.9 | 171.6 | 170 | 75.9 | 23.5 | 0 | 0 | 0 | 111.5 | V82 D86 M87 L88 S109 I134 T135 | V82-N84 PolarHBondContact O-N 2.86Å; N84-D86 PolarHBondContact O-N 2.77Å; N84-D86 PolarHBondContact OD1-N 2.85Å; N84-D86 VanDerWaalsContact OD1-N 3.07Å; N84-M87 PolarHBondContact O-N 2.87Å; N84-M87 WeakPolarHBondContact OD1-CB 3.31Å; N84-M87 WeakPolarHBondContact OD1-CG 3.48Å; N84-M87 PolarHBondContact OD1-N 3.31Å; N84-L88 WeakPolarHBondContact O-CG 3.45Å; N84-L88 PolarHBondContact O-N 3.43Å; N84-S109 WeakPolarHBondContact CB-OG 3.36Å; N84-I134 WeakPolarHBondContact CB-O 3.48Å; N84-I134 PolarHBondContact ND2-O 3.32Å; N84-T135 WeakPolarHBondContact ND2-CA 3.25Å | ||
| 85 | L | 78 | Confident | 80.3 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | -178.4 | -173.1 | 74.4 | 0 | 0 | 0 | 113.7 | M87 L88 K89 R182 E198 | L85-M87 VanDerWaalsContact C-N 3.26Å; L85-M87 PolarHBondContact O-N 2.99Å; L85-L88 CarbonylContact O-C 3.59Å; L85-L88 WeakPolarHBondContact O-CB 3.34Å; L85-L88 PolarHBondContact O-N 2.99Å; L85-L88 VanDerWaalsContact O-N 3.08Å; L85-K89 HydrophobicContact CD2-CD 4.4Å; L85-K89 HydrophobicContact CG-CD 4.24Å; L85-K89 HydrophobicContact CG-CG 4.41Å; L85-K89 WeakPolarHBondContact O-CG 3.34Å; L85-K89 PolarHBondContact O-N 3.14Å; L85-R182 VanDerWaalsContact CD2-NH1 3.29Å; L85-E198 HydrophobicContact CD1-CG 4.38Å; L85-E198 WeakPolarHBondContact CD1-OE2 3.36Å |
| 86 | D | 79.5 | Confident | 79.8 | Confident | 74 Ų | 74 | 42.2 Ų | 42.2 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.1 | -37.4 | -178.3 | -69.2 | -26.7 | 0 | 0 | 0 | 111.2 | N84 R90 | N84-D86 PolarHBondContact O-N 2.77Å; N84-D86 PolarHBondContact OD1-N 2.85Å; N84-D86 VanDerWaalsContact OD1-N 3.07Å; D86-R90 WeakPolarHBondContact O-CG 3.31Å; D86-R90 PolarHBondContact O-N 2.83Å; D86-R90 PolarHBondContact O-NE 2.99Å |
| 87 | M | 81.3 | Confident | 79.4 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.3 | -48.2 | 170.1 | -71.3 | 176.7 | 176.9 | 0 | 0 | 111 | Q81 N84 L85 K89 R90 M91 V215 | Q81-M87 VanDerWaalsContact OE1-CE 3.29Å; N84-M87 PolarHBondContact O-N 2.87Å; N84-M87 WeakPolarHBondContact OD1-CB 3.31Å; N84-M87 WeakPolarHBondContact OD1-CG 3.48Å; N84-M87 PolarHBondContact OD1-N 3.31Å; L85-M87 VanDerWaalsContact C-N 3.26Å; L85-M87 PolarHBondContact O-N 2.99Å; M87-K89 VanDerWaalsContact C-N 3.29Å; M87-K89 PolarHBondContact O-N 2.96Å; M87-R90 CarbonylContact O-C 3.59Å; M87-R90 PolarHBondContact O-N 2.89Å; M87-M91 WeakPolarHBondContact O-CB 3.37Å; M87-M91 PolarHBondContact O-N 3.14Å; M87-V215 HydrophobicContact SD-CG1 3.89Å |
| 88 | L | 77.5 | Confident | 79.1 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.2 | -42.7 | 177.9 | -72.1 | 169.1 | 0 | 0 | 0 | 111.9 | V83 N84 L85 R90 M91 T108 I184 K195 | V83-L88 HydrophobicContact CG1-CD1 3.95Å; V83-L88 HydrophobicContact CG1-CD2 3.45Å; V83-L88 VanDerWaalsContact CG1-CD2 3.45Å; V83-L88 HydrophobicContact CG1-CG 3.36Å; N84-L88 WeakPolarHBondContact O-CG 3.45Å; N84-L88 PolarHBondContact O-N 3.43Å; L85-L88 CarbonylContact O-C 3.59Å; L85-L88 WeakPolarHBondContact O-CB 3.34Å; L85-L88 PolarHBondContact O-N 2.99Å; L85-L88 VanDerWaalsContact O-N 3.08Å; L88-R90 VanDerWaalsContact C-N 3.29Å; L88-R90 PolarHBondContact O-N 3.19Å; L88-M91 HydrophobicContact CD2-CE 3.44Å; L88-M91 VanDerWaalsContact CD2-CE 3.44Å; L88-M91 HydrophobicContact CD2-SD 4.33Å; L88-M91 WeakPolarHBondContact O-CB 3.02Å; L88-M91 PolarHBondContact O-N 3.42Å; L88-T108 HydrophobicContact CD1-CG2 3.64Å; L88-I184 HydrophobicContact CD1-CB 4.3Å; L88-I184 HydrophobicContact CD1-CD1 3.97Å; L88-I184 HydrophobicContact CD1-CG2 3.74Å; L88-I184 HydrophobicContact CD2-CD1 4.48Å; L88-I184 HydrophobicContact CD2-CG2 4.5Å; L88-K195 HydrophobicContact CB-CD 4.48Å; L88-K195 PolarHBondContact O-NZ 3.23Å |
| 89 | K | 77.7 | Confident | 78.7 | Confident | 121 Ų | 121 | 40.5 Ų | 40.5 | 53% | 0.526 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.3 | -35.2 | 178.4 | -75.3 | 175.3 | 177.8 | 172.6 | 0 | 112.7 | L85 M87 | L85-K89 HydrophobicContact CD2-CD 4.4Å; L85-K89 HydrophobicContact CG-CD 4.24Å; L85-K89 HydrophobicContact CG-CG 4.41Å; L85-K89 WeakPolarHBondContact O-CG 3.34Å; L85-K89 PolarHBondContact O-N 3.14Å; M87-K89 VanDerWaalsContact C-N 3.29Å; M87-K89 PolarHBondContact O-N 2.96Å |
| 90 | R | 76.4 | Confident | 78.1 | Confident | 84 Ų | 84 | 43.6 Ų | 43.6 | 32% | 0.317 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -87.1 | -8.3 | 179.5 | -67.3 | 176.2 | -69.5 | 175.6 | 2.2 | 113.8 | I31 S32 W33 D86 M87 L88 | I31-R90 HydrophobicContact CG2-CB 4.04Å; S32-R90 PolarHBondContact N-O 2.92Å; S32-R90 WeakPolarHBondContact O-CD 3.37Å; W33-R90 VanDerWaalsContact CE3-NH1 3.26Å; W33-R90 VanDerWaalsContact CZ3-NH1 3.28Å; D86-R90 WeakPolarHBondContact O-CG 3.31Å; D86-R90 PolarHBondContact O-N 2.83Å; D86-R90 PolarHBondContact O-NE 2.99Å; M87-R90 CarbonylContact O-C 3.59Å; M87-R90 PolarHBondContact O-N 2.89Å; L88-R90 VanDerWaalsContact C-N 3.29Å; L88-R90 PolarHBondContact O-N 3.19Å |
| 91 | M | 76.5 | Confident | 77.4 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 6% | 0.059 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 133.5 | -176.7 | 179.2 | -177.7 | 67.7 | 0 | 0 | 111.8 | T30 F46 M87 L88 L93 K195 | T30-M91 WeakPolarHBondContact O-CA 2.94Å; F46-M91 HydrophobicContact CD1-SD 3.99Å; F46-M91 HydrophobicContact CD2-SD 4.16Å; F46-M91 HydrophobicContact CE1-CG 4.28Å; F46-M91 HydrophobicContact CE1-SD 3.37Å; F46-M91 WeakPolarHBondContact CE1-SD 3.41Å; F46-M91 HydrophobicContact CE2-CG 3.91Å; F46-M91 HydrophobicContact CE2-SD 3.57Å; F46-M91 VanDerWaalsContact CE2-SD 3.57Å; F46-M91 HydrophobicContact CG-SD 4.35Å; F46-M91 HydrophobicContact CZ-CB 4.44Å; F46-M91 HydrophobicContact CZ-CG 3.53Å; F46-M91 HydrophobicContact CZ-SD 3.14Å; F46-M91 WeakPolarHBondContact CZ-SD 3.31Å; M87-M91 WeakPolarHBondContact O-CB 3.37Å; M87-M91 PolarHBondContact O-N 3.14Å; L88-M91 HydrophobicContact CD2-CE 3.44Å; L88-M91 VanDerWaalsContact CD2-CE 3.44Å; L88-M91 HydrophobicContact CD2-SD 4.33Å; L88-M91 WeakPolarHBondContact O-CB 3.02Å; L88-M91 PolarHBondContact O-N 3.42Å; M91-L93 HydrophobicContact CE-CD1 3.62Å; M91-L93 HydrophobicContact CE-CD2 3.85Å; M91-L93 HydrophobicContact CE-CG 3.55Å; M91-L93 HydrophobicContact CG-CD2 4.13Å; M91-L93 HydrophobicContact CG-CG 4.12Å; M91-L93 HydrophobicContact SD-CD1 4.38Å; M91-L93 HydrophobicContact SD-CD2 3.45Å; M91-L93 WeakPolarHBondContact SD-CD2 3.46Å; M91-L93 HydrophobicContact SD-CG 3.76Å; M91-K195 HydrophobicContact CE-CD 4Å; M91-K195 HydrophobicContact CE-CG 4.35Å |
| 92 | K | 75.2 | Confident | 76.7 | Confident | 134 Ų | 134 | 47.4 Ų | 47.4 | 58% | 0.583 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 109.1 | 160.6 | -172.9 | 178.4 | -178.4 | 179.3 | 0 | 109.1 | G29 T30 L94 | G29-K92 CarbonylContact C-O 3.56Å; G29-K92 WeakPolarHBondContact CA-O 3.4Å; T30-K92 PolarHBondContact N-O 3.31Å; T30-K92 PolarHBondContact O-N 3.18Å; K92-L94 HydrophobicContact CG-CD2 4.48Å |
| 93 | L | 73.3 | Confident | 76.4 | Confident | 22 Ų | 22 | 52 Ų | 52 | 12% | 0.115 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 140.4 | 171.4 | -67.7 | 171.5 | 0 | 0 | 0 | 109.5 | F27 F46 M91 L186 V193 | F27-L93 HydrophobicContact CB-CD2 4.04Å; F46-L93 HydrophobicContact CD2-CD2 3.83Å; F46-L93 HydrophobicContact CE2-CD2 4Å; F46-L93 HydrophobicContact CG-CD2 4.45Å; M91-L93 HydrophobicContact CE-CD1 3.62Å; M91-L93 HydrophobicContact CE-CD2 3.85Å; M91-L93 HydrophobicContact CE-CG 3.55Å; M91-L93 HydrophobicContact CG-CD2 4.13Å; M91-L93 HydrophobicContact CG-CG 4.12Å; M91-L93 HydrophobicContact SD-CD1 4.38Å; M91-L93 HydrophobicContact SD-CD2 3.45Å; M91-L93 WeakPolarHBondContact SD-CD2 3.46Å; M91-L93 HydrophobicContact SD-CG 3.76Å; L93-L186 HydrophobicContact CD1-CD2 4.21Å; L93-V193 WeakPolarHBondContact CB-O 3.15Å; L93-V193 HydrophobicContact CD1-CB 4.07Å; L93-V193 HydrophobicContact CD1-CG1 3.78Å |
| 94 | L | 69.2 | Low | 76.3 | Confident | 70 Ų | 70 | 52 Ų | 52 | 37% | 0.366 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | -76.7 | -178.3 | -65.3 | 174.2 | 0 | 0 | 0 | 110.1 | S28 K92 R192 | S28-L94 PolarHBondContact O-N 2.93Å; K92-L94 HydrophobicContact CG-CD2 4.48Å; L94-R192 WeakPolarHBondContact O-CA 3.44Å |
| 95 | N | 68.9 | Low | 76.3 | Confident | 79 Ų | 79 | 52.6 Ų | 52.6 | 42% | 0.422 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 146.2 | -175.3 | -61.6 | -12.6 | 0 | 0 | 0 | 109.5 | F27 S28 Q191 | F27-N95 WeakPolarHBondContact CA-O 3.26Å; S28-N95 PolarHBondContact N-O 2.85Å; S28-N95 PolarHBondContact OG-N 3.19Å; S28-N95 PolarHBondContact OG-O 2.74Å; S28-N95 VanDerWaalsContact OG-O 3.11Å; N95-Q191 WeakPolarHBondContact CA-O 3.39Å |
| 96 | G | 71.7 | Confident | 76.8 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 6% | 0.062 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | -172.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112 | S26 Q191 | S26-G96 VanDerWaalsContact O-CA 3.22Å; S26-G96 WeakPolarHBondContact O-CA 3.47Å; G96-Q191 PolarHBondContact N-O 2.91Å |
| 97 | N | 71.6 | Confident | 77.2 | Confident | 32 Ų | 32 | 48.7 Ų | 48.7 | 17% | 0.171 | 24% | 0.242 | C | C | . | . | trans | -109.2 | 11.6 | -175.1 | 65.5 | -14.1 | 0 | 0 | 0 | 115 | H16 E17 T18 Y25 S26 P99 | H16-N97 HydrophobicContact CB-CB 3.98Å; E17-N97 PolarHBondContact O-ND2 2.87Å; T18-N97 VanDerWaalsContact CG2-ND2 3.34Å; T18-N97 WeakPolarHBondContact CG2-ND2 3.3Å; Y25-N97 WeakPolarHBondContact CA-OD1 3.22Å; S26-N97 PolarHBondContact N-OD1 3.23Å; S26-N97 PolarHBondContact O-N 3.33Å; S26-N97 PolarHBondContact O-OD1 3.05Å; N97-P99 VanDerWaalsContact O-CD 3.24Å; N97-P99 WeakPolarHBondContact O-CD 3.5Å | ||
| 98 | L | 76.4 | Confident | 77.6 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 121.2 | 170.9 | 179.1 | 65.8 | 0 | 0 | 0 | 109.2 | Y25 F27 D102 L104 S188 V193 | Y25-L98 HydrophobicContact CD1-CB 4.44Å; Y25-L98 HydrophobicContact CD1-CD1 4.26Å; Y25-L98 HydrophobicContact CD2-CD1 4.34Å; Y25-L98 HydrophobicContact CE1-CD1 4.2Å; Y25-L98 HydrophobicContact CE2-CD1 4.27Å; Y25-L98 HydrophobicContact CG-CD1 4.31Å; F27-L98 HydrophobicContact CE1-CB 3.81Å; F27-L98 HydrophobicContact CZ-CB 4.43Å; L98-D102 HydrophobicContact CD1-CB 3.87Å; L98-D102 HydrophobicContact CG-CB 4.38Å; L98-L104 HydrophobicContact CD1-CD1 3.91Å; L98-L104 HydrophobicContact CD1-CD2 3.88Å; L98-L104 HydrophobicContact CD1-CG 3.61Å; L98-L104 HydrophobicContact CD2-CD1 4.32Å; L98-L104 HydrophobicContact CD2-CG 4.15Å; L98-S188 WeakPolarHBondContact O-CB 2.94Å; L98-S188 PolarHBondContact O-OG 2.94Å; L98-V193 HydrophobicContact CB-CG2 4.17Å; L98-V193 HydrophobicContact CD2-CG1 4.37Å |
| 99 | P | 70.1 | Confident | 78.1 | Confident | 31 Ų | 31 | 48.5 Ų | 48.5 | 20% | 0.201 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 152.1 | -178.9 | -31.1 | 38.7 | 0 | 0 | 0 | 113.5 | Y25 N97 G101 D102 I236 | Y25-P99 VanDerWaalsContact CE1-CD 3.46Å; Y25-P99 HydrophobicContact CE1-CG 4.3Å; N97-P99 VanDerWaalsContact O-CD 3.24Å; N97-P99 WeakPolarHBondContact O-CD 3.5Å; P99-G101 PolarHBondContact O-N 2.95Å; P99-D102 HydrophobicContact CB-CB 4.07Å; P99-D102 WeakPolarHBondContact CB-OD2 3.44Å; P99-D102 WeakPolarHBondContact CG-OD2 3.48Å; P99-D102 PolarHBondContact O-N 2.87Å; P99-I236 HydrophobicContact CB-CG2 3.67Å |
| 100 | R | 71 | Confident | 78.6 | Confident | 175 Ų | 175 | 43.7 Ų | 43.7 | 66% | 0.66 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 126 | 178.5 | -177.3 | -178.4 | 178.6 | 178.7 | -1.1 | 109.6 | D102 | R100-D102 VanDerWaalsContact C-N 3.27Š|
| 101 | G | 71.8 | Confident | 79.2 | Confident | 66 Ų | 66 | 39.7 Ų | 39.7 | 68% | 0.68 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | -14.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P99 | P99-G101 PolarHBondContact O-N 2.95Š|
| 102 | D | 78.4 | Confident | 79.8 | Confident | 63 Ų | 63 | 39.1 Ų | 39.1 | 34% | 0.337 | 20% | 0.203 | S | C | . | . | trans | -78 | 157.4 | 171.9 | -79.4 | 3 | 0 | 0 | 0 | 111.4 | L98 P99 R100 | L98-D102 HydrophobicContact CD1-CB 3.87Å; L98-D102 HydrophobicContact CG-CB 4.38Å; P99-D102 HydrophobicContact CB-CB 4.07Å; P99-D102 WeakPolarHBondContact CB-OD2 3.44Å; P99-D102 WeakPolarHBondContact CG-OD2 3.48Å; P99-D102 PolarHBondContact O-N 2.87Å; R100-D102 VanDerWaalsContact C-N 3.27Å | ||
| 103 | F | 85 | Confident | 80.4 | Confident | 98 Ų | 98 | 32.7 Ų | 32.7 | 43% | 0.43 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 150.9 | 176.7 | 65.2 | -87.9 | 0 | 0 | 0 | 111.2 | T185 L186 | F103-T185 HydrophobicContact CB-CG2 3.98Å; F103-T185 HydrophobicContact CD2-CG2 4.39Å; F103-L186 CarbonylContact C-O 3.54Å; F103-L186 WeakPolarHBondContact CA-O 3.41Å; F103-L186 WeakPolarHBondContact CB-O 3.34Å |
| 104 | L | 85.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 135.6 | 172.8 | -54.8 | 174.9 | 0 | 0 | 0 | 109.3 | Y25 F27 F48 L98 V106 T185 L186 N209 | Y25-L104 HydrophobicContact CD2-CD1 3.54Å; Y25-L104 HydrophobicContact CD2-CD2 3.5Å; Y25-L104 VanDerWaalsContact CD2-CD2 3.5Å; Y25-L104 HydrophobicContact CD2-CG 4.1Å; Y25-L104 HydrophobicContact CE2-CD1 4.31Å; Y25-L104 HydrophobicContact CE2-CD2 3.39Å; Y25-L104 HydrophobicContact CE2-CG 4.39Å; Y25-L104 HydrophobicContact CG-CD1 4.02Å; F27-L104 HydrophobicContact CE2-CD1 4.49Å; F27-L104 HydrophobicContact CZ-CD1 3.77Å; F48-L104 HydrophobicContact CB-CD1 4.29Å; F48-L104 HydrophobicContact CD1-CD1 4.32Å; F48-L104 HydrophobicContact CD2-CB 4.47Å; F48-L104 HydrophobicContact CD2-CD1 3.93Å; F48-L104 HydrophobicContact CE1-CD2 4.18Å; F48-L104 HydrophobicContact CE2-CB 4.12Å; F48-L104 HydrophobicContact CE2-CD1 4.29Å; F48-L104 HydrophobicContact CG-CD1 3.92Å; F48-L104 HydrophobicContact CZ-CB 4.48Å; F48-L104 HydrophobicContact CZ-CD2 4.15Å; L98-L104 HydrophobicContact CD1-CD1 3.91Å; L98-L104 HydrophobicContact CD1-CD2 3.88Å; L98-L104 HydrophobicContact CD1-CG 3.61Å; L98-L104 HydrophobicContact CD2-CD1 4.32Å; L98-L104 HydrophobicContact CD2-CG 4.15Å; L104-V106 HydrophobicContact CB-CG2 4.36Å; L104-T185 CarbonylContact O-C 3.54Å; L104-T185 VanDerWaalsContact O-CA 3.32Å; L104-T185 WeakPolarHBondContact O-CA 3.49Å; L104-L186 HydrophobicContact CB-CB 4.38Å; L104-L186 PolarHBondContact N-O 2.92Å; L104-L186 PolarHBondContact O-N 3.46Å; L104-N209 HydrophobicContact CD2-CB 4.4Å |
| 105 | N | 87.6 | Confident | 82 | Confident | 17 Ų | 17 | 33.4 Ų | 33.4 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 112.9 | 169.4 | -68.6 | -33.6 | 0 | 0 | 0 | 108.4 | T185 N209 S210 G211 | N105-T185 PolarHBondContact OD1-OG1 3.48Å; N105-T185 VanDerWaalsContact OD1-OG1 3.07Å; N105-N209 PolarHBondContact N-O 3.49Å; N105-S210 WeakPolarHBondContact CB-OG 3.44Å; N105-S210 VanDerWaalsContact O-CA 3.23Å; N105-S210 WeakPolarHBondContact O-CA 3.5Å; N105-G211 PolarHBondContact O-N 2.9Å |
| 106 | V | 88.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 113 | -175.7 | 176.8 | 0 | 0 | 0 | 0 | 109 | F48 L104 T183 I184 L186 G211 L213 | F48-V106 HydrophobicContact CD2-CG2 4.14Å; F48-V106 HydrophobicContact CE2-CG2 4.18Å; L104-V106 HydrophobicContact CB-CG2 4.36Å; V106-T183 CarbonylContact O-C 3.59Å; V106-T183 VanDerWaalsContact O-CA 3.28Å; V106-T183 WeakPolarHBondContact O-CA 3.29Å; V106-I184 HydrophobicContact CB-CG2 3.7Å; V106-I184 HydrophobicContact CG1-CG2 4.17Å; V106-I184 PolarHBondContact N-O 3.03Å; V106-I184 PolarHBondContact O-N 3.07Å; V106-L186 HydrophobicContact CG2-CD1 3.75Å; V106-L186 HydrophobicContact CG2-CG 3.97Å; V106-G211 CarbonylContact C-O 3.52Å; V106-G211 WeakPolarHBondContact CA-O 3.16Å; V106-L213 HydrophobicContact CG1-CB 3.68Å |
| 107 | Y | 88 | Confident | 83.4 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 125.6 | 165.7 | -61.3 | -69.6 | 0 | 0 | 0 | 108.9 | I51 M59 W181 T183 E201 T205 G211 | I51-Y107 HydrophobicContact CD1-CD2 4.47Å; M59-Y107 HydrophobicContact CE-CD1 4.41Å; M59-Y107 HydrophobicContact CE-CD2 3.54Å; M59-Y107 HydrophobicContact CE-CE1 4.22Å; M59-Y107 HydrophobicContact CE-CE2 3.23Å; M59-Y107 HydrophobicContact CE-CG 4.14Å; M59-Y107 HydrophobicContact SD-CE1 4.34Å; M59-Y107 HydrophobicContact SD-CE2 4.34Å; Y107-W181 HydrophobicContact CD1-CB 3.78Å; Y107-W181 HydrophobicContact CD1-CD2 4.35Å; Y107-W181 HydrophobicContact CD1-CE3 4.26Å; Y107-W181 HydrophobicContact CD1-CG 4.2Å; Y107-W181 HydrophobicContact CE1-CB 4.27Å; Y107-W181 HydrophobicContact CG-CE3 4.35Å; Y107-T183 HydrophobicContact CD1-CG2 3.27Å; Y107-T183 HydrophobicContact CE1-CG2 3.36Å; Y107-T183 HydrophobicContact CG-CG2 4.25Å; Y107-E201 PolarHBondContact OH-OE2 3.3Å; Y107-T205 PolarHBondContact OH-O 2.81Å; Y107-G211 WeakPolarHBondContact CD2-O 3.32Å; Y107-G211 PolarHBondContact N-O 2.92Å |
| 108 | T | 88.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 169.5 | 172.6 | 72.8 | 0 | 0 | 0 | 0 | 109.9 | V83 L88 E110 R182 | V83-T108 WeakPolarHBondContact O-CA 3.15Å; L88-T108 HydrophobicContact CD1-CG2 3.64Å; T108-E110 PolarHBondContact O-N 2.72Å; T108-E110 PolarHBondContact OG1-N 3.24Å; T108-R182 WeakPolarHBondContact CB-O 3.4Å; T108-R182 WeakPolarHBondContact CG2-O 3.46Å; T108-R182 PolarHBondContact N-O 3.24Å; T108-R182 WeakPolarHBondContact OG1-CB 3.45Å; T108-R182 PolarHBondContact OG1-O 3.12Å |
| 109 | S | 88 | Confident | 84.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 0.9 | 175.1 | 65.6 | 0 | 0 | 0 | 0 | 114.9 | V82 V83 N84 K133 I134 | V82-S109 VanDerWaalsContact CG1-CB 3.48Å; V83-S109 PolarHBondContact O-N 3.49Å; N84-S109 WeakPolarHBondContact CB-OG 3.36Å; S109-K133 WeakPolarHBondContact O-CA 3.13Å; S109-I134 PolarHBondContact OG-N 3.43Å; S109-I134 PolarHBondContact OG-O 2.89Å |
| 110 | E | 89 | Confident | 85.8 | Confident | 19 Ų | 19 | 45.4 Ų | 45.4 | 9% | 0.089 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 116.1 | -179.2 | -172.7 | 172.9 | -137.6 | 0 | 0 | 110.7 | T108 Y112 Q131 V132 K133 R182 | T108-E110 PolarHBondContact O-N 2.72Å; T108-E110 PolarHBondContact OG1-N 3.24Å; E110-Y112 HydrophobicContact CG-CE2 3.84Å; E110-Y112 PolarHBondContact OE1-OH 3.09Å; E110-Q131 PolarHBondContact OE1-NE2 2.71Å; E110-V132 WeakPolarHBondContact CA-O 3.49Å; E110-K133 HydrophobicContact CB-CB 4.43Å; E110-K133 HydrophobicContact CG-CB 4.45Å; E110-R182 HydrophobicContact CB-CB 4.29Å; E110-R182 WeakPolarHBondContact O-CB 3.37Å; E110-R182 PolarHBondContact O-N 3.24Å; E110-R182 WeakPolarHBondContact OE2-CD 3.45Å; E110-R182 IonicContact OE2-CZ 3.36Å; E110-R182 IonicContact OE2-NE 2.71Å; E110-R182 IonicContact OE2-NH1 3.87Å; E110-R182 PolarHBondContact OE2-NH1 3.07Å |
| 111 | I | 88.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 143.7 | -179 | -55.1 | 174.9 | 0 | 0 | 0 | 109.9 | A62 V66 Q131 V132 P179 L180 W181 | A62-I111 HydrophobicContact CB-CB 4.46Å; A62-I111 HydrophobicContact CB-CD1 3.67Å; A62-I111 HydrophobicContact CB-CG2 3.75Å; V66-I111 HydrophobicContact CG2-CD1 3.19Å; V66-I111 HydrophobicContact CG2-CG1 3.94Å; I111-Q131 CarbonylContact O-C 3.59Å; I111-Q131 VanDerWaalsContact O-CA 3.27Å; I111-Q131 WeakPolarHBondContact O-CA 2.98Å; I111-V132 PolarHBondContact N-O 2.75Å; I111-V132 PolarHBondContact O-N 3.33Å; I111-P179 HydrophobicContact CG2-CB 3.7Å; I111-L180 WeakPolarHBondContact CA-O 3.36Å; I111-L180 WeakPolarHBondContact CG2-O 3.36Å; I111-W181 HydrophobicContact CD1-CD2 3.66Å; I111-W181 HydrophobicContact CD1-CE3 3.59Å; I111-W181 HydrophobicContact CD1-CH2 3.32Å; I111-W181 HydrophobicContact CD1-CZ2 3.35Å; I111-W181 HydrophobicContact CD1-CZ3 3.44Å; I111-W181 VanDerWaalsContact CD1-CZ3 3.44Å; I111-W181 HydrophobicContact CG1-CD2 3.76Å; I111-W181 HydrophobicContact CG1-CE3 3.66Å; I111-W181 HydrophobicContact CG1-CG 4.33Å; I111-W181 HydrophobicContact CG1-CH2 4.3Å; I111-W181 HydrophobicContact CG1-CZ2 4.37Å; I111-W181 HydrophobicContact CG1-CZ3 3.95Å |
| 112 | Y | 88.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 143.9 | 173.9 | -55.1 | -88.7 | 0 | 0 | 0 | 110.3 | E110 Y130 Q131 L160 L163 P179 L180 L200 | E110-Y112 HydrophobicContact CG-CE2 3.84Å; E110-Y112 PolarHBondContact OE1-OH 3.09Å; Y112-Y130 WeakPolarHBondContact CA-O 3.39Å; Y112-Q131 HydrophobicContact CD1-CB 4.09Å; Y112-Q131 HydrophobicContact CD1-CG 3.97Å; Y112-Q131 HydrophobicContact CE1-CB 4.21Å; Y112-Q131 HydrophobicContact CE1-CG 3.73Å; Y112-Q131 PolarHBondContact OH-NE2 3.31Å; Y112-Q131 VanDerWaalsContact OH-NE2 3.16Å; Y112-L160 HydrophobicContact CD1-CD2 3.74Å; Y112-L160 HydrophobicContact CG-CD2 4.21Å; Y112-L163 HydrophobicContact CD1-CD1 3.9Å; Y112-L163 HydrophobicContact CD2-CD1 3.88Å; Y112-L163 HydrophobicContact CD2-CD2 3.85Å; Y112-L163 HydrophobicContact CD2-CG 4.45Å; Y112-L163 HydrophobicContact CE1-CD1 4.27Å; Y112-L163 HydrophobicContact CE1-CD2 4.24Å; Y112-L163 HydrophobicContact CE1-CG 4.42Å; Y112-L163 HydrophobicContact CE2-CD1 4.27Å; Y112-L163 HydrophobicContact CE2-CD2 3.46Å; Y112-L163 VanDerWaalsContact CE2-CD2 3.46Å; Y112-L163 HydrophobicContact CE2-CG 4.35Å; Y112-L163 HydrophobicContact CG-CD1 3.66Å; Y112-L163 HydrophobicContact CG-CD2 4.38Å; Y112-P179 CarbonylContact O-C 3.56Å; Y112-P179 VanDerWaalsContact O-CA 3.3Å; Y112-P179 WeakPolarHBondContact O-CA 3.49Å; Y112-L180 PolarHBondContact N-O 2.9Å; Y112-L180 PolarHBondContact O-N 3.19Å; Y112-L200 HydrophobicContact CD2-CD2 4.09Å; Y112-L200 HydrophobicContact CE2-CD2 4.17Å |
| 113 | G | 89 | Confident | 87.9 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 179.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | A129 Y130 | G113-A129 CarbonylContact O-C 3.55Å; G113-A129 WeakPolarHBondContact O-CA 3.21Å; G113-Y130 VanDerWaalsContact C-CD1 3.4Å; G113-Y130 VanDerWaalsContact C-CE1 3.4Å; G113-Y130 PolarHBondContact N-O 3.27Å; G113-Y130 WeakPolarHBondContact O-CD1 3.38Å; G113-Y130 PolarHBondContact O-N 2.9Å |
| 114 | I | 89 | Confident | 88.2 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 125.8 | 171.6 | -65.4 | 177.9 | 0 | 0 | 0 | 108.5 | M116 Y127 L173 I174 | I114-M116 WeakPolarHBondContact CG2-O 3.21Å; I114-Y127 HydrophobicContact CD1-CD2 4.1Å; I114-Y127 HydrophobicContact CD1-CG 4.34Å; I114-Y127 HydrophobicContact CG1-CD2 4.06Å; I114-L173 HydrophobicContact CD1-CG 4.05Å; I114-L173 WeakPolarHBondContact CD1-O 3.37Å; I114-L173 HydrophobicContact CG1-CD1 4.12Å; I114-L173 HydrophobicContact CG1-CD2 4.31Å; I114-L173 HydrophobicContact CG1-CG 3.9Å; I114-I174 HydrophobicContact CD1-CB 4.46Å; I114-I174 HydrophobicContact CD1-CG1 4.2Å |
| 115 | L | 87.6 | Confident | 88.4 | Confident | 84 Ų | 84 | 48.5 Ų | 48.5 | 44% | 0.44 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -39.9 | 177.6 | -170.3 | 66 | 0 | 0 | 0 | 111.1 | Q128 Y130 F141 | L115-Q128 HydrophobicContact CB-CB 4.43Å; L115-Q128 HydrophobicContact CB-CG 4.33Å; L115-Q128 HydrophobicContact CD2-CG 4.49Å; L115-Q128 PolarHBondContact N-O 2.81Å; L115-Y130 HydrophobicContact CB-CD1 3.99Å; L115-F141 HydrophobicContact CD2-CZ 4.36Å |
| 116 | M | 86.8 | Confident | 88.7 | Confident | 122 Ų | 122 | 49 Ų | 49 | 60% | 0.601 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 148.4 | -178.2 | -62.5 | -177.1 | 64 | 0 | 0 | 110.6 | I114 Y127 Q128 | I114-M116 WeakPolarHBondContact CG2-O 3.21Å; M116-Y127 CarbonylContact O-C 3.59Å; M116-Y127 WeakPolarHBondContact O-CA 2.97Å; M116-Q128 HydrophobicContact CB-CB 4.09Å; M116-Q128 PolarHBondContact O-N 3.11Å |
| 117 | G | 81.9 | Confident | 88.9 | Confident | 42 Ų | 42 | 49.2 Ų | 49.2 | 43% | 0.433 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 87.6 | -166.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 118 | P | 87.8 | Confident | 89.1 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -80.4 | 143.2 | 4.1 | 32.1 | -36.1 | 0 | 0 | 0 | 114.5 | K125 V126 Y127 I174 | P118-K125 HydrophobicContact CB-CB 4.23Å; P118-K125 HydrophobicContact CB-CD 4.18Å; P118-K125 HydrophobicContact CB-CG 4.37Å; P118-K125 HydrophobicContact CG-CD 4.47Å; P118-V126 CarbonylContact C-O 3.59Å; P118-V126 WeakPolarHBondContact CA-O 3.32Å; P118-Y127 HydrophobicContact CB-CD1 4.43Å; P118-I174 HydrophobicContact CB-CG2 4.11Å; P118-I174 HydrophobicContact CG-CG2 3.92Å |
| 119 | V | 90.3 | Very high | 89.3 | Confident | 88 Ų | 88 | 51.4 Ų | 51.4 | 53% | 0.533 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 141.8 | 171.2 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | K125 V126 | V119-K125 CarbonylContact O-C 3.58Å; V119-K125 WeakPolarHBondContact O-CA 2.96Å; V119-V126 PolarHBondContact N-O 2.98Å; V119-V126 PolarHBondContact O-N 3.23Å |
| 120 | N | 90.9 | Very high | 89.4 | Confident | 111 Ų | 111 | 52.3 Ų | 52.3 | 59% | 0.594 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 124.6 | 174.9 | -61.9 | -35.9 | 0 | 0 | 0 | 109.9 | A124 K125 | N120-A124 WeakPolarHBondContact CA-O 3.32Å; N120-K125 WeakPolarHBondContact OD1-CG 2.91Å |
| 121 | E | 88.1 | Confident | 89.5 | Confident | 119 Ų | 119 | 52 Ų | 52 | 56% | 0.556 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 106.6 | 169.7 | -67.8 | -168.7 | -177.9 | 0 | 0 | 108.4 | D123 A124 V126 | E121-D123 PolarHBondContact O-N 2.82Å; E121-D123 VanDerWaalsContact O-N 3.13Å; E121-A124 PolarHBondContact N-O 2.95Å; E121-A124 WeakPolarHBondContact O-CA 3.22Å; E121-A124 PolarHBondContact O-N 3.45Å; E121-V126 HydrophobicContact CB-CG2 4.02Å; E121-V126 HydrophobicContact CG-CG2 3.95Å |
| 122 | E | 87.8 | Confident | 89.5 | Confident | 196 Ų | 196 | 52 Ų | 52 | 92% | 0.916 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | -116.1 | -174.2 | -56.4 | -178 | 167.2 | 0 | 0 | 111.7 | ||
| 123 | D | 89.8 | Confident | 89.6 | Confident | 96 Ų | 96 | 54.7 Ų | 54.7 | 51% | 0.513 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 11.5 | 179.5 | -68.6 | -27.8 | 0 | 0 | 0 | 113.1 | E121 L150 | E121-D123 PolarHBondContact O-N 2.82Å; E121-D123 VanDerWaalsContact O-N 3.13Å; D123-L150 PolarHBondContact O-N 3.43Å |
| 124 | A | 89.6 | Confident | 89.5 | Confident | 22 Ų | 22 | 55 Ų | 55 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 150.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N120 E121 T148 | N120-A124 WeakPolarHBondContact CA-O 3.32Å; E121-A124 PolarHBondContact N-O 2.95Å; E121-A124 WeakPolarHBondContact O-CA 3.22Å; E121-A124 PolarHBondContact O-N 3.45Å; A124-T148 CarbonylContact C-O 3.56Å; A124-T148 VanDerWaalsContact CA-O 3.27Å; A124-T148 WeakPolarHBondContact CA-O 3.27Å |
| 125 | K | 91.3 | Very high | 89.3 | Confident | 36 Ų | 36 | 55.7 Ų | 55.7 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 119.9 | 162 | -83.2 | -176.9 | 178.8 | -170.5 | 0 | 109.1 | P118 V119 N120 Y127 A147 T148 L150 I174 N175 | P118-K125 HydrophobicContact CB-CB 4.23Å; P118-K125 HydrophobicContact CB-CD 4.18Å; P118-K125 HydrophobicContact CB-CG 4.37Å; P118-K125 HydrophobicContact CG-CD 4.47Å; V119-K125 CarbonylContact O-C 3.58Å; V119-K125 WeakPolarHBondContact O-CA 2.96Å; N120-K125 WeakPolarHBondContact OD1-CG 2.91Å; K125-Y127 WeakPolarHBondContact O-CD1 3.46Å; K125-Y127 WeakPolarHBondContact O-CE1 2.9Å; K125-A147 WeakPolarHBondContact O-CA 3.43Å; K125-T148 PolarHBondContact N-O 3.26Å; K125-T148 PolarHBondContact O-N 2.97Å; K125-L150 HydrophobicContact CB-CD2 4.48Å; K125-L150 HydrophobicContact CD-CD2 3.78Å; K125-L150 HydrophobicContact CG-CD1 4.36Å; K125-L150 HydrophobicContact CG-CD2 3.81Å; K125-L150 HydrophobicContact CG-CG 4.3Å; K125-I174 HydrophobicContact CD-CG2 3.38Å; K125-N175 PolarHBondContact NZ-OD1 2.89Å |
| 126 | V | 92.5 | Very high | 89 | Confident | 28 Ų | 28 | 55.9 Ų | 55.9 | 17% | 0.17 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131 | 176.9 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | P118 V119 E121 I145 C146 A147 | P118-V126 CarbonylContact C-O 3.59Å; P118-V126 WeakPolarHBondContact CA-O 3.32Å; V119-V126 PolarHBondContact N-O 2.98Å; V119-V126 PolarHBondContact O-N 3.23Å; E121-V126 HydrophobicContact CB-CG2 4.02Å; E121-V126 HydrophobicContact CG-CG2 3.95Å; V126-I145 HydrophobicContact CG1-CG2 3.93Å; V126-C146 WeakPolarHBondContact CA-O 3.48Å; V126-A147 HydrophobicContact CG2-CB 4.29Å |
| 127 | Y | 92.8 | Very high | 88.6 | Confident | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 155.6 | -177.2 | 52.1 | -82.5 | 0 | 0 | 0 | 110.3 | I114 M116 P118 K125 A129 C146 T148 T155 L160 V170 I174 | I114-Y127 HydrophobicContact CD1-CD2 4.1Å; I114-Y127 HydrophobicContact CD1-CG 4.34Å; I114-Y127 HydrophobicContact CG1-CD2 4.06Å; M116-Y127 CarbonylContact O-C 3.59Å; M116-Y127 WeakPolarHBondContact O-CA 2.97Å; P118-Y127 HydrophobicContact CB-CD1 4.43Å; K125-Y127 WeakPolarHBondContact O-CD1 3.46Å; K125-Y127 WeakPolarHBondContact O-CE1 2.9Å; Y127-A129 HydrophobicContact CD2-CB 4.21Å; Y127-A129 HydrophobicContact CE2-CB 4.11Å; Y127-C146 HydrophobicContact CD2-CB 4.12Å; Y127-C146 HydrophobicContact CE1-CB 4.47Å; Y127-C146 HydrophobicContact CE2-CB 3.64Å; Y127-C146 PolarHBondContact N-O 2.96Å; Y127-C146 PolarHBondContact O-N 3.21Å; Y127-C146 VanDerWaalsContact O-O 3.13Å; Y127-T148 PolarHBondContact OH-OG1 2.9Å; Y127-T155 VanDerWaalsContact OH-CG2 3.31Å; Y127-T155 WeakPolarHBondContact OH-CG2 3.12Å; Y127-L160 HydrophobicContact CE2-CD1 3.99Å; Y127-V170 VanDerWaalsContact OH-CG1 3.27Å; Y127-V170 WeakPolarHBondContact OH-CG1 3.42Å; Y127-I174 HydrophobicContact CD1-CD1 4.16Å; Y127-I174 HydrophobicContact CD1-CG1 4.09Å; Y127-I174 HydrophobicContact CE1-CD1 3.39Å; Y127-I174 HydrophobicContact CE1-CG1 3.7Å; Y127-I174 HydrophobicContact CE2-CG1 4.35Å |
| 128 | Q | 93.3 | Very high | 88.7 | Confident | 48 Ų | 48 | 56.3 Ų | 56.3 | 22% | 0.224 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 109 | 170.6 | -170.7 | 174.2 | 10.2 | 0 | 0 | 108.8 | L115 M116 S143 E144 | L115-Q128 HydrophobicContact CB-CB 4.43Å; L115-Q128 HydrophobicContact CB-CG 4.33Å; L115-Q128 HydrophobicContact CD2-CG 4.49Å; L115-Q128 PolarHBondContact N-O 2.81Å; M116-Q128 HydrophobicContact CB-CB 4.09Å; M116-Q128 PolarHBondContact O-N 3.11Å; Q128-S143 PolarHBondContact NE2-OG 2.51Å; Q128-E144 CarbonylContact C-O 3.53Å; Q128-E144 WeakPolarHBondContact CA-O 3.48Å |
| 129 | A | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 153.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G113 Y127 S143 E144 C146 L159 L160 | G113-A129 CarbonylContact O-C 3.55Å; G113-A129 WeakPolarHBondContact O-CA 3.21Å; Y127-A129 HydrophobicContact CD2-CB 4.21Å; Y127-A129 HydrophobicContact CE2-CB 4.11Å; A129-S143 CarbonylContact O-C 3.57Å; A129-S143 WeakPolarHBondContact O-CA 3.32Å; A129-S143 VanDerWaalsContact O-CB 3.31Å; A129-S143 WeakPolarHBondContact O-CB 3.3Å; A129-E144 PolarHBondContact N-O 3.16Å; A129-E144 PolarHBondContact O-N 2.01Å; A129-C146 HydrophobicContact CB-CB 4.46Å; A129-L159 HydrophobicContact CB-CD2 4.3Å; A129-L160 HydrophobicContact CB-CD1 3.98Å; A129-L160 HydrophobicContact CB-CD2 4.37Å; A129-L160 HydrophobicContact CB-CG 4.2Å |
| 130 | Y | 91.5 | Very high | 88.6 | Confident | 18 Ų | 18 | 56.7 Ų | 56.7 | 7% | 0.071 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 159.1 | 170.5 | 74.9 | -97.6 | 0 | 0 | 0 | 112.5 | F63 Y112 G113 L115 V132 F141 N142 | F63-Y130 HydrophobicContact CE2-CD2 4.44Å; F63-Y130 HydrophobicContact CE2-CE2 4.08Å; Y112-Y130 WeakPolarHBondContact CA-O 3.39Å; G113-Y130 VanDerWaalsContact C-CD1 3.4Å; G113-Y130 VanDerWaalsContact C-CE1 3.4Å; G113-Y130 PolarHBondContact N-O 3.27Å; G113-Y130 WeakPolarHBondContact O-CD1 3.38Å; G113-Y130 PolarHBondContact O-N 2.9Å; L115-Y130 HydrophobicContact CB-CD1 3.99Å; Y130-V132 HydrophobicContact CD2-CG2 3.99Å; Y130-V132 HydrophobicContact CE2-CG2 3.96Å; Y130-F141 VanDerWaalsContact CB-CE2 3.44Å; Y130-F141 HydrophobicContact CD2-CD2 4.42Å; Y130-F141 AromaticContact CD2-CE2 3.76Å; Y130-F141 HydrophobicContact CD2-CE2 3.76Å; Y130-F141 AromaticContact CG-CE2 3.76Å; Y130-F141 HydrophobicContact CG-CE2 3.76Å; Y130-F141 HydrophobicContact CG-CZ 4.34Å; Y130-N142 CarbonylContact C-O 3.59Å; Y130-N142 VanDerWaalsContact CA-O 3.24Å; Y130-N142 WeakPolarHBondContact CA-O 3.19Å |
| 131 | Q | 90.3 | Very high | 88.5 | Confident | 14 Ų | 14 | 55.5 Ų | 55.5 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 128.9 | 171.5 | -175.4 | -172.2 | 47.3 | 0 | 0 | 109.1 | E110 I111 Y112 F141 N142 L159 | E110-Q131 PolarHBondContact OE1-NE2 2.71Å; I111-Q131 CarbonylContact O-C 3.59Å; I111-Q131 VanDerWaalsContact O-CA 3.27Å; I111-Q131 WeakPolarHBondContact O-CA 2.98Å; Y112-Q131 HydrophobicContact CD1-CB 4.09Å; Y112-Q131 HydrophobicContact CD1-CG 3.97Å; Y112-Q131 HydrophobicContact CE1-CB 4.21Å; Y112-Q131 HydrophobicContact CE1-CG 3.73Å; Y112-Q131 PolarHBondContact OH-NE2 3.31Å; Y112-Q131 VanDerWaalsContact OH-NE2 3.16Å; Q131-F141 WeakPolarHBondContact O-CA 3.45Å; Q131-N142 PolarHBondContact N-O 2.81Å; Q131-N142 PolarHBondContact O-N 2.87Å; Q131-L159 HydrophobicContact CB-CD1 3.65Å; Q131-L159 HydrophobicContact CB-CD2 4.06Å; Q131-L159 HydrophobicContact CB-CG 3.97Å |
| 132 | V | 89.2 | Confident | 88.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 134.1 | 165.5 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | F63 V66 E110 I111 Y130 K139 F141 | F63-V132 HydrophobicContact CD1-CG1 4.47Å; F63-V132 HydrophobicContact CD1-CG2 3.64Å; F63-V132 HydrophobicContact CD2-CG2 4.3Å; F63-V132 HydrophobicContact CE1-CG2 3.42Å; F63-V132 VanDerWaalsContact CE1-CG2 3.42Å; F63-V132 HydrophobicContact CE2-CG2 4.1Å; F63-V132 HydrophobicContact CG-CG2 4.12Å; F63-V132 HydrophobicContact CZ-CG2 3.72Å; V66-V132 HydrophobicContact CB-CG1 4.33Å; V66-V132 HydrophobicContact CG1-CG1 4.21Å; V66-V132 HydrophobicContact CG2-CG1 4.31Å; E110-V132 WeakPolarHBondContact CA-O 3.49Å; I111-V132 PolarHBondContact N-O 2.75Å; I111-V132 PolarHBondContact O-N 3.33Å; Y130-V132 HydrophobicContact CD2-CG2 3.99Å; Y130-V132 HydrophobicContact CE2-CG2 3.96Å; V132-K139 HydrophobicContact CG1-CG 4.45Å; V132-F141 HydrophobicContact CG2-CD2 3.92Å |
| 133 | K | 89.8 | Confident | 89 | Confident | 56 Ų | 56 | 46.4 Ų | 46.4 | 24% | 0.243 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 148.1 | 170.2 | 65.4 | 178.7 | -176.3 | 177.5 | 0 | 112 | S109 E110 S140 | S109-K133 WeakPolarHBondContact O-CA 3.13Å; E110-K133 HydrophobicContact CB-CB 4.43Å; E110-K133 HydrophobicContact CG-CB 4.45Å; K133-S140 WeakPolarHBondContact CE-OG 3.39Å; K133-S140 WeakPolarHBondContact CG-OG 3.22Å; K133-S140 PolarHBondContact N-O 2.88Å; K133-S140 PolarHBondContact O-N 3.02Å; K133-S140 PolarHBondContact O-OG 3.33Å |
| 134 | I | 87.8 | Confident | 89.2 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 125.6 | 167.5 | -60.3 | -81.4 | 0 | 0 | 0 | 108.4 | V66 Q70 V82 N84 S109 E138 K139 | V66-I134 HydrophobicContact CG1-CD1 3.94Å; V66-I134 HydrophobicContact CG1-CG1 3.3Å; Q70-I134 HydrophobicContact CB-CD1 4.09Å; Q70-I134 HydrophobicContact CB-CG1 4.36Å; Q70-I134 HydrophobicContact CG-CD1 4.18Å; Q70-I134 HydrophobicContact CG-CG2 4.36Å; V82-I134 HydrophobicContact CG1-CB 3.96Å; V82-I134 HydrophobicContact CG1-CG1 4.05Å; V82-I134 HydrophobicContact CG1-CG2 4.1Å; N84-I134 WeakPolarHBondContact CB-O 3.48Å; N84-I134 PolarHBondContact ND2-O 3.32Å; S109-I134 PolarHBondContact OG-N 3.43Å; S109-I134 PolarHBondContact OG-O 2.89Å; I134-E138 CarbonylContact C-O 3.53Å; I134-E138 WeakPolarHBondContact CA-O 3.32Å; I134-K139 HydrophobicContact CD1-CB 3.75Å; I134-K139 HydrophobicContact CD1-CG 4.3Å |
| 135 | T | 84.9 | Confident | 89.4 | Confident | 36 Ų | 36 | 49.4 Ų | 49.4 | 22% | 0.221 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 121.5 | 174.3 | -54.5 | 0 | 0 | 0 | 0 | 109.5 | N84 G137 E138 | N84-T135 WeakPolarHBondContact ND2-CA 3.25Å; T135-G137 PolarHBondContact O-N 3.18Å; T135-E138 PolarHBondContact N-O 3.3Å; T135-E138 PolarHBondContact O-N 3.42Å |
| 136 | N | 79.9 | Confident | 89.4 | Confident | 89 Ų | 89 | 47.7 Ų | 47.7 | 48% | 0.476 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 37.1 | -178 | -52.7 | -29.6 | 0 | 0 | 0 | 112.9 | Q81 E138 | Q81-N136 VanDerWaalsContact NE2-C 3.29Å; Q81-N136 PolarHBondContact NE2-O 2.78Å; N136-E138 PolarHBondContact O-N 3.24Å |
| 137 | G | 78.3 | Confident | 89.4 | Confident | 19 Ų | 19 | 48 Ų | 48 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -12.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T135 | T135-G137 PolarHBondContact O-N 3.18Š|
| 138 | E | 84 | Confident | 89.3 | Confident | 153 Ų | 153 | 47.8 Ų | 47.8 | 72% | 0.715 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 131.4 | -179.9 | -63.8 | -174.7 | 165.5 | 0 | 0 | 111.9 | I134 T135 N136 | I134-E138 CarbonylContact C-O 3.53Å; I134-E138 WeakPolarHBondContact CA-O 3.32Å; T135-E138 PolarHBondContact N-O 3.3Å; T135-E138 PolarHBondContact O-N 3.42Å; N136-E138 PolarHBondContact O-N 3.24Å |
| 139 | K | 87.1 | Confident | 89.1 | Confident | 106 Ų | 106 | 48.1 Ų | 48.1 | 46% | 0.461 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 130 | 174.1 | -175.9 | 169.3 | 63.5 | -177.2 | 0 | 110.3 | E67 V132 I134 | E67-K139 IonicContact OE2-NZ 3.9Å; E67-K139 PolarHBondContact OE2-NZ 2.72Å; V132-K139 HydrophobicContact CG1-CG 4.45Å; I134-K139 HydrophobicContact CD1-CB 3.75Å; I134-K139 HydrophobicContact CD1-CG 4.3Å |
| 140 | S | 89 | Confident | 88.6 | Confident | 33 Ų | 33 | 51.4 Ų | 51.4 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 139 | 167.7 | 69.1 | 0 | 0 | 0 | 0 | 110.7 | K133 | K133-S140 WeakPolarHBondContact CE-OG 3.39Å; K133-S140 WeakPolarHBondContact CG-OG 3.22Å; K133-S140 PolarHBondContact N-O 2.88Å; K133-S140 PolarHBondContact O-N 3.02Å; K133-S140 PolarHBondContact O-OG 3.33Å |
| 141 | F | 90.4 | Very high | 88.2 | Confident | 85 Ų | 85 | 56.6 Ų | 56.6 | 37% | 0.373 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.9 | 174.3 | 175.3 | -99.5 | 0 | 0 | 0 | 108.9 | F63 L115 Y130 Q131 V132 | F63-F141 AromaticContact CE1-CD2 3.42Å; F63-F141 HydrophobicContact CE1-CD2 3.42Å; F63-F141 VanDerWaalsContact CE1-CD2 3.42Å; F63-F141 AromaticContact CE1-CE2 3.87Å; F63-F141 HydrophobicContact CE1-CE2 3.87Å; F63-F141 HydrophobicContact CE1-CG 4.15Å; F63-F141 HydrophobicContact CE2-CD2 4.47Å; F63-F141 HydrophobicContact CE2-CE2 4.13Å; F63-F141 AromaticContact CZ-CD2 3.28Å; F63-F141 HydrophobicContact CZ-CD2 3.28Å; F63-F141 AromaticContact CZ-CE2 3.19Å; F63-F141 HydrophobicContact CZ-CE2 3.19Å; F63-F141 HydrophobicContact CZ-CG 4.27Å; F63-F141 HydrophobicContact CZ-CZ 4.11Å; L115-F141 HydrophobicContact CD2-CZ 4.36Å; Y130-F141 VanDerWaalsContact CB-CE2 3.44Å; Y130-F141 HydrophobicContact CD2-CD2 4.42Å; Y130-F141 AromaticContact CD2-CE2 3.76Å; Y130-F141 HydrophobicContact CD2-CE2 3.76Å; Y130-F141 AromaticContact CG-CE2 3.76Å; Y130-F141 HydrophobicContact CG-CE2 3.76Å; Y130-F141 HydrophobicContact CG-CZ 4.34Å; Q131-F141 WeakPolarHBondContact O-CA 3.45Å; V132-F141 HydrophobicContact CG2-CD2 3.92Å |
| 142 | N | 92.7 | Very high | 87.9 | Confident | 72 Ų | 72 | 58.9 Ų | 58.9 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.1 | 175.1 | -61.2 | -50.2 | 0 | 0 | 0 | 108.7 | Y130 Q131 L159 | Y130-N142 CarbonylContact C-O 3.59Å; Y130-N142 VanDerWaalsContact CA-O 3.24Å; Y130-N142 WeakPolarHBondContact CA-O 3.19Å; Q131-N142 PolarHBondContact N-O 2.81Å; Q131-N142 PolarHBondContact O-N 2.87Å; N142-L159 HydrophobicContact CB-CD1 3.9Å |
| 143 | S | 93.4 | Very high | 87.4 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 150.5 | 172.6 | 70.2 | 0 | 0 | 0 | 0 | 110.5 | Q128 A129 | Q128-S143 PolarHBondContact NE2-OG 2.51Å; A129-S143 CarbonylContact O-C 3.57Å; A129-S143 WeakPolarHBondContact O-CA 3.32Å; A129-S143 VanDerWaalsContact O-CB 3.31Å; A129-S143 WeakPolarHBondContact O-CB 3.3Å |
| 144 | E | 93.8 | Very high | 87.1 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 146.2 | -176.6 | -171.5 | -177.6 | 164.3 | 0 | 0 | 109 | Q128 A129 H158 L159 | Q128-E144 CarbonylContact C-O 3.53Å; Q128-E144 WeakPolarHBondContact CA-O 3.48Å; A129-E144 PolarHBondContact N-O 3.16Å; A129-E144 PolarHBondContact O-N 2.01Å; E144-H158 IonicContact OE1-CD2 3.5Å; E144-H158 PolarHBondContact OE1-CD2 3.36Å; E144-H158 IonicContact OE1-CG 3.44Å; E144-H158 PolarHBondContact OE1-N 3.48Å; E144-H158 VanDerWaalsContact OE1-N 3.1Å; E144-H158 WeakPolarHBondContact OE2-CB 3.41Å; E144-H158 PolarHBondContact OE2-N 3.01Å; E144-L159 HydrophobicContact CB-CB 4.26Å; E144-L159 HydrophobicContact CB-CD2 4.48Å; E144-L159 WeakPolarHBondContact OE2-CB 3.49Å; E144-L159 PolarHBondContact OE2-N 3.28Å |
| 145 | I | 93.2 | Very high | 86.9 | Confident | 125 Ų | 125 | 68.4 Ų | 68.4 | 64% | 0.641 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.1 | 170.1 | -61.7 | 173.4 | 0 | 0 | 0 | 107.4 | V126 | V126-I145 HydrophobicContact CG1-CG2 3.93Å |
| 146 | C | 92.6 | Very high | 87 | Confident | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.007 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 147.5 | -172.8 | -63.8 | 0 | 0 | 0 | 0 | 110.2 | V126 Y127 A129 D156 C157 | V126-C146 WeakPolarHBondContact CA-O 3.48Å; Y127-C146 HydrophobicContact CD2-CB 4.12Å; Y127-C146 HydrophobicContact CE1-CB 4.47Å; Y127-C146 HydrophobicContact CE2-CB 3.64Å; Y127-C146 PolarHBondContact N-O 2.96Å; Y127-C146 PolarHBondContact O-N 3.21Å; Y127-C146 VanDerWaalsContact O-O 3.13Å; A129-C146 HydrophobicContact CB-CB 4.46Å; C146-D156 WeakPolarHBondContact CA-O 3.34Å; C146-C157 HydrophobicContact CB-CB 3.46Å; C146-C157 VanDerWaalsContact CB-CB 3.46Å; C146-C157 WeakPolarHBondContact CB-SG 3.28Å; C146-C157 WeakPolarHBondContact SG-CB 3.34Å; C146-C157 CovalentContact SG-SG 2.02Å; C146-C157 PolarHBondContact SG-SG 2.69Å |
| 147 | A | 91.3 | Very high | 87.4 | Confident | 34 Ų | 34 | 68.2 Ų | 68.2 | 28% | 0.281 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110 | K125 V126 T155 D156 | K125-A147 WeakPolarHBondContact O-CA 3.43Å; V126-A147 HydrophobicContact CG2-CB 4.29Å; A147-T155 WeakPolarHBondContact O-CA 3.05Å; A147-D156 PolarHBondContact N-O 2.75Å; A147-D156 VanDerWaalsContact N-O 3.12Å; A147-D156 PolarHBondContact O-N 3.15Å |
| 148 | T | 90.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.3 | 174.8 | -67.6 | 0 | 0 | 0 | 0 | 110.2 | A124 K125 Y127 L150 R154 T155 M171 I174 | A124-T148 CarbonylContact C-O 3.56Å; A124-T148 VanDerWaalsContact CA-O 3.27Å; A124-T148 WeakPolarHBondContact CA-O 3.27Å; K125-T148 PolarHBondContact N-O 3.26Å; K125-T148 PolarHBondContact O-N 2.97Å; Y127-T148 PolarHBondContact OH-OG1 2.9Å; T148-L150 PolarHBondContact O-N 3.03Å; T148-R154 WeakPolarHBondContact CA-O 3.42Å; T148-T155 WeakPolarHBondContact OG1-CB 3.44Å; T148-T155 VanDerWaalsContact OG1-CG2 3.27Å; T148-T155 WeakPolarHBondContact OG1-CG2 3.35Å; T148-T155 PolarHBondContact OG1-OG1 2.91Å; T148-M171 HydrophobicContact CG2-SD 3.87Å; T148-I174 HydrophobicContact CG2-CD1 4.08Å |
| 149 | N | 88.8 | Confident | 87.9 | Confident | 56 Ų | 56 | 67.6 Ų | 67.6 | 30% | 0.299 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 121.4 | 174.2 | 178.7 | -78.1 | 0 | 0 | 0 | 109.8 | N151 S152 A153 R154 | N149-N151 VanDerWaalsContact C-N 3.3Å; N149-N151 PolarHBondContact O-N 2.84Å; N149-N151 PolarHBondContact OD1-N 2.03Å; N149-N151 VanDerWaalsContact OD1-N 3.09Å; N149-S152 WeakPolarHBondContact CB-OG 3.23Å; N149-S152 PolarHBondContact O-N 3.49Å; N149-S152 PolarHBondContact OD1-N 3.07Å; N149-S152 PolarHBondContact OD1-OG 2.82Å; N149-A153 VanDerWaalsContact O-CA 3.31Å; N149-A153 WeakPolarHBondContact O-CA 3.35Å; N149-A153 PolarHBondContact O-N 2.8Å; N149-R154 PolarHBondContact N-O 3.03Å |
| 150 | L | 82 | Confident | 87.7 | Confident | 68 Ų | 68 | 62.6 Ų | 62.6 | 36% | 0.356 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -30.4 | -173.6 | -71.2 | 175.2 | 0 | 0 | 0 | 113.3 | D123 K125 T148 M171 | D123-L150 PolarHBondContact O-N 3.43Å; K125-L150 HydrophobicContact CB-CD2 4.48Å; K125-L150 HydrophobicContact CD-CD2 3.78Å; K125-L150 HydrophobicContact CG-CD1 4.36Å; K125-L150 HydrophobicContact CG-CD2 3.81Å; K125-L150 HydrophobicContact CG-CG 4.3Å; T148-L150 PolarHBondContact O-N 3.03Å; L150-M171 HydrophobicContact CD2-CE 4.31Å |
| 151 | N | 83.8 | Confident | 86.9 | Confident | 128 Ų | 128 | 63.7 Ų | 63.7 | 68% | 0.684 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -31.5 | -176.7 | -65.8 | -33.4 | 0 | 0 | 0 | 112.6 | N149 | N149-N151 VanDerWaalsContact C-N 3.3Å; N149-N151 PolarHBondContact O-N 2.84Å; N149-N151 PolarHBondContact OD1-N 2.03Å; N149-N151 VanDerWaalsContact OD1-N 3.09Å |
| 152 | S | 83.9 | Confident | 85.8 | Confident | 61 Ų | 61 | 65 Ų | 65 | 43% | 0.427 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -9.7 | -176.4 | 60.7 | 0 | 0 | 0 | 0 | 114.3 | N149 R154 | N149-S152 WeakPolarHBondContact CB-OG 3.23Å; N149-S152 PolarHBondContact O-N 3.49Å; N149-S152 PolarHBondContact OD1-N 3.07Å; N149-S152 PolarHBondContact OD1-OG 2.82Å; S152-R154 PolarHBondContact O-N 2.84Å; S152-R154 PolarHBondContact OG-N 3.01Å |
| 153 | A | 77.5 | Confident | 84.4 | Confident | 35 Ų | 35 | 62 Ų | 62 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | trans | 51 | 21.9 | -169 | 0 | 0 | 0 | 0 | 0 | 113.4 | N149 M171 | N149-A153 VanDerWaalsContact O-CA 3.31Å; N149-A153 WeakPolarHBondContact O-CA 3.35Å; N149-A153 PolarHBondContact O-N 2.8Å; A153-M171 HydrophobicContact CB-CG 4.21Å | ||
| 154 | R | 83.9 | Confident | 82.6 | Confident | 200 Ų | 200 | 61.9 Ų | 61.9 | 76% | 0.755 | 33% | 0.332 | S | S | * | . | trans | -85.7 | 132.9 | 174.4 | -71.3 | -174 | 177.4 | -171.2 | -0.5 | 109.1 | T148 N149 S152 | T148-R154 WeakPolarHBondContact CA-O 3.42Å; N149-R154 PolarHBondContact N-O 3.03Å; S152-R154 PolarHBondContact O-N 2.84Å; S152-R154 PolarHBondContact OG-N 3.01Å | ||
| 155 | T | 85 | Confident | 81 | Confident | 27 Ų | 27 | 64.2 Ų | 64.2 | 17% | 0.166 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.7 | -177.3 | -55.3 | 0 | 0 | 0 | 0 | 109.7 | Y127 A147 T148 C157 V170 | Y127-T155 VanDerWaalsContact OH-CG2 3.31Å; Y127-T155 WeakPolarHBondContact OH-CG2 3.12Å; A147-T155 WeakPolarHBondContact O-CA 3.05Å; T148-T155 WeakPolarHBondContact OG1-CB 3.44Å; T148-T155 VanDerWaalsContact OG1-CG2 3.27Å; T148-T155 WeakPolarHBondContact OG1-CG2 3.35Å; T148-T155 PolarHBondContact OG1-OG1 2.91Å; T155-C157 HydrophobicContact CG2-CB 3.42Å; T155-C157 VanDerWaalsContact CG2-CB 3.42Å; T155-V170 HydrophobicContact CG2-CG1 4.14Å; T155-V170 VanDerWaalsContact OG1-CG1 3.26Å; T155-V170 WeakPolarHBondContact OG1-CG1 3.25Å |
| 156 | D | 86.8 | Confident | 79.5 | Confident | 117 Ų | 117 | 61.9 Ų | 61.9 | 63% | 0.626 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 98.6 | 162.7 | -167.9 | 10.1 | 0 | 0 | 0 | 108.2 | C146 A147 | C146-D156 WeakPolarHBondContact CA-O 3.34Å; A147-D156 PolarHBondContact N-O 2.75Å; A147-D156 VanDerWaalsContact N-O 3.12Å; A147-D156 PolarHBondContact O-N 3.15Å |
| 157 | C | 87.7 | Confident | 78.6 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.034 | 36% | 0.359 | C | S | . | . | trans | -166 | 107.7 | -176.4 | -169.3 | 0 | 0 | 0 | 0 | 109.3 | C146 T155 L159 L160 S161 | C146-C157 HydrophobicContact CB-CB 3.46Å; C146-C157 VanDerWaalsContact CB-CB 3.46Å; C146-C157 WeakPolarHBondContact CB-SG 3.28Å; C146-C157 WeakPolarHBondContact SG-CB 3.34Å; C146-C157 CovalentContact SG-SG 2.02Å; C146-C157 PolarHBondContact SG-SG 2.69Å; T155-C157 HydrophobicContact CG2-CB 3.42Å; T155-C157 VanDerWaalsContact CG2-CB 3.42Å; C157-L159 VanDerWaalsContact C-N 3.3Å; C157-L159 PolarHBondContact O-N 3.44Å; C157-L160 HydrophobicContact CB-CB 4.13Å; C157-L160 HydrophobicContact CB-CD1 4.43Å; C157-L160 HydrophobicContact CB-CG 4.38Å; C157-L160 PolarHBondContact O-N 2.83Å; C157-L160 VanDerWaalsContact SG-CD1 3.6Å; C157-L160 WeakPolarHBondContact SG-CG 3.16Å; C157-S161 PolarHBondContact O-N 2.79Å; C157-S161 VanDerWaalsContact O-N 3.07Å | ||
| 158 | H | 87.5 | Confident | 78.1 | Confident | 137 Ų | 137 | 67 Ų | 67 | 63% | 0.634 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -66 | -37.6 | -179.9 | -69.6 | -65.4 | 0 | 0 | 0 | 111.5 | E144 L160 S161 | E144-H158 IonicContact OE1-CD2 3.5Å; E144-H158 PolarHBondContact OE1-CD2 3.36Å; E144-H158 IonicContact OE1-CG 3.44Å; E144-H158 PolarHBondContact OE1-N 3.48Å; E144-H158 VanDerWaalsContact OE1-N 3.1Å; E144-H158 WeakPolarHBondContact OE2-CB 3.41Å; E144-H158 PolarHBondContact OE2-N 3.01Å; H158-L160 VanDerWaalsContact C-N 3.27Å; H158-L160 PolarHBondContact O-N 2.95Å; H158-S161 VanDerWaalsContact O-CB 3.25Å; H158-S161 WeakPolarHBondContact O-CB 3.46Å; H158-S161 PolarHBondContact O-N 2.91Å; H158-S161 VanDerWaalsContact O-N 3.1Å; H158-S161 PolarHBondContact O-OG 2.9Å |
| 159 | L | 85.8 | Confident | 77.7 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -37.7 | 178.2 | -164.8 | 63.1 | 0 | 0 | 0 | 113.3 | A129 Q131 N142 E144 C157 | A129-L159 HydrophobicContact CB-CD2 4.3Å; Q131-L159 HydrophobicContact CB-CD1 3.65Å; Q131-L159 HydrophobicContact CB-CD2 4.06Å; Q131-L159 HydrophobicContact CB-CG 3.97Å; N142-L159 HydrophobicContact CB-CD1 3.9Å; E144-L159 HydrophobicContact CB-CB 4.26Å; E144-L159 HydrophobicContact CB-CD2 4.48Å; E144-L159 WeakPolarHBondContact OE2-CB 3.49Å; E144-L159 PolarHBondContact OE2-N 3.28Å; C157-L159 VanDerWaalsContact C-N 3.3Å; C157-L159 PolarHBondContact O-N 3.44Å |
| 160 | L | 81.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 7 | 179.5 | -53.3 | 176.4 | 0 | 0 | 0 | 112.3 | Y112 Y127 A129 C157 H158 N162 L163 S164 V170 L173 | Y112-L160 HydrophobicContact CD1-CD2 3.74Å; Y112-L160 HydrophobicContact CG-CD2 4.21Å; Y127-L160 HydrophobicContact CE2-CD1 3.99Å; A129-L160 HydrophobicContact CB-CD1 3.98Å; A129-L160 HydrophobicContact CB-CD2 4.37Å; A129-L160 HydrophobicContact CB-CG 4.2Å; C157-L160 HydrophobicContact CB-CB 4.13Å; C157-L160 HydrophobicContact CB-CD1 4.43Å; C157-L160 HydrophobicContact CB-CG 4.38Å; C157-L160 PolarHBondContact O-N 2.83Å; C157-L160 VanDerWaalsContact SG-CD1 3.6Å; C157-L160 WeakPolarHBondContact SG-CG 3.16Å; H158-L160 VanDerWaalsContact C-N 3.27Å; H158-L160 PolarHBondContact O-N 2.95Å; L160-N162 PolarHBondContact O-N 3.23Å; L160-L163 HydrophobicContact CB-CB 4.48Å; L160-L163 HydrophobicContact CB-CD1 4.08Å; L160-L163 HydrophobicContact CB-CG 4.33Å; L160-L163 HydrophobicContact CD2-CD1 3.38Å; L160-L163 HydrophobicContact CD2-CG 4.36Å; L160-L163 HydrophobicContact CG-CD1 4.23Å; L160-L163 CarbonylContact O-C 3.54Å; L160-L163 WeakPolarHBondContact O-CA 3.2Å; L160-L163 VanDerWaalsContact O-CB 3.32Å; L160-L163 WeakPolarHBondContact O-CB 3.41Å; L160-L163 PolarHBondContact O-N 3.06Å; L160-S164 PolarHBondContact O-N 3.36Å; L160-V170 HydrophobicContact CD1-CG1 4.43Å; L160-L173 HydrophobicContact CD1-CD2 4.17Å; L160-L173 HydrophobicContact CD2-CD2 4.32Å |
| 161 | S | 73.8 | Confident | 77.5 | Confident | 56 Ų | 56 | 64.4 Ų | 64.4 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -31.3 | -177.7 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | C157 H158 L163 S164 | C157-S161 PolarHBondContact O-N 2.79Å; C157-S161 VanDerWaalsContact O-N 3.07Å; H158-S161 VanDerWaalsContact O-CB 3.25Å; H158-S161 WeakPolarHBondContact O-CB 3.46Å; H158-S161 PolarHBondContact O-N 2.91Å; H158-S161 VanDerWaalsContact O-N 3.1Å; H158-S161 PolarHBondContact O-OG 2.9Å; S161-L163 VanDerWaalsContact C-N 3.25Å; S161-L163 PolarHBondContact O-N 3.28Å; S161-S164 WeakPolarHBondContact CA-OG 3.49Å; S161-S164 PolarHBondContact O-OG 3.11Å |
| 162 | N | 66.5 | Low | 77.6 | Confident | 114 Ų | 114 | 61.3 Ų | 61.3 | 61% | 0.61 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -21.1 | 173.1 | -70.7 | -32.1 | 0 | 0 | 0 | 112.7 | L160 | L160-N162 PolarHBondContact O-N 3.23Š|
| 163 | L | 64 | Low | 77.7 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -31.1 | 175.7 | -40.6 | -179.3 | 0 | 0 | 0 | 111.8 | Y112 L160 S161 A165 D166 L200 | Y112-L163 HydrophobicContact CD1-CD1 3.9Å; Y112-L163 HydrophobicContact CD2-CD1 3.88Å; Y112-L163 HydrophobicContact CD2-CD2 3.85Å; Y112-L163 HydrophobicContact CD2-CG 4.45Å; Y112-L163 HydrophobicContact CE1-CD1 4.27Å; Y112-L163 HydrophobicContact CE1-CD2 4.24Å; Y112-L163 HydrophobicContact CE1-CG 4.42Å; Y112-L163 HydrophobicContact CE2-CD1 4.27Å; Y112-L163 HydrophobicContact CE2-CD2 3.46Å; Y112-L163 VanDerWaalsContact CE2-CD2 3.46Å; Y112-L163 HydrophobicContact CE2-CG 4.35Å; Y112-L163 HydrophobicContact CG-CD1 3.66Å; Y112-L163 HydrophobicContact CG-CD2 4.38Å; L160-L163 HydrophobicContact CB-CB 4.48Å; L160-L163 HydrophobicContact CB-CD1 4.08Å; L160-L163 HydrophobicContact CB-CG 4.33Å; L160-L163 HydrophobicContact CD2-CD1 3.38Å; L160-L163 HydrophobicContact CD2-CG 4.36Å; L160-L163 HydrophobicContact CG-CD1 4.23Å; L160-L163 CarbonylContact O-C 3.54Å; L160-L163 WeakPolarHBondContact O-CA 3.2Å; L160-L163 VanDerWaalsContact O-CB 3.32Å; L160-L163 WeakPolarHBondContact O-CB 3.41Å; L160-L163 PolarHBondContact O-N 3.06Å; S161-L163 VanDerWaalsContact C-N 3.25Å; S161-L163 PolarHBondContact O-N 3.28Å; L163-A165 PolarHBondContact O-N 3.37Å; L163-D166 PolarHBondContact O-N 2.58Å; L163-L200 HydrophobicContact CB-CD1 3.98Å; L163-L200 HydrophobicContact CD1-CD1 4.13Å; L163-L200 HydrophobicContact CD2-CD1 3.42Å; L163-L200 VanDerWaalsContact CD2-CD1 3.42Å; L163-L200 HydrophobicContact CD2-CD2 3.85Å; L163-L200 HydrophobicContact CD2-CG 4.19Å; L163-L200 HydrophobicContact CG-CD1 4.02Å |
| 164 | S | 55.4 | Low | 78.1 | Confident | 50 Ų | 50 | 56.9 Ų | 56.9 | 35% | 0.35 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -6.4 | -170.2 | 66.4 | 0 | 0 | 0 | 0 | 114.6 | L160 S161 D166 | L160-S164 PolarHBondContact O-N 3.36Å; S161-S164 WeakPolarHBondContact CA-OG 3.49Å; S161-S164 PolarHBondContact O-OG 3.11Å; S164-D166 PolarHBondContact O-N 3.1Å |
| 165 | A | 59.1 | Low | 78.2 | Confident | 104 Ų | 104 | 52.3 Ų | 52.3 | 86% | 0.86 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -25.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L163 | L163-A165 PolarHBondContact O-N 3.37Š|
| 166 | D | 62.5 | Low | 78.2 | Confident | 77 Ų | 77 | 53 Ų | 53 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -126.7 | 95.3 | 174 | -171.6 | 0.8 | 0 | 0 | 0 | 110.7 | L163 S164 H168 N169 | L163-D166 PolarHBondContact O-N 2.58Å; S164-D166 PolarHBondContact O-N 3.1Å; D166-H168 PolarHBondContact O-N 2.88Å; D166-H168 WeakPolarHBondContact OD1-CB 3.39Å; D166-H168 PolarHBondContact OD1-N 2.95Å; D166-H168 VanDerWaalsContact OD1-N 3.16Å; D166-N169 WeakPolarHBondContact CB-ND2 3.33Å; D166-N169 PolarHBondContact O-N 2.69Å; D166-N169 VanDerWaalsContact O-N 3.1Å; D166-N169 PolarHBondContact OD2-ND2 3.36Å |
| 167 | G | 72.8 | Confident | 77.9 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 21% | 0.206 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.5 | -20.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V170 M171 | G167-V170 PolarHBondContact O-N 2.91Å; G167-M171 WeakPolarHBondContact O-CG 3.41Å; G167-M171 PolarHBondContact O-N 3.15Å; G167-M171 VanDerWaalsContact O-N 3.09Å |
| 168 | H | 81.2 | Confident | 77.7 | Confident | 123 Ų | 123 | 54.5 Ų | 54.5 | 57% | 0.569 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.5 | -47.1 | 174.1 | -177.3 | -85.4 | 0 | 0 | 0 | 111.8 | D166 V170 M171 E172 | D166-H168 PolarHBondContact O-N 2.88Å; D166-H168 WeakPolarHBondContact OD1-CB 3.39Å; D166-H168 PolarHBondContact OD1-N 2.95Å; D166-H168 VanDerWaalsContact OD1-N 3.16Å; H168-V170 VanDerWaalsContact C-N 3.31Å; H168-V170 PolarHBondContact O-N 2.95Å; H168-M171 PolarHBondContact O-N 3.3Å; H168-E172 IonicContact CE1-OE2 3.63Å; H168-E172 IonicContact ND1-OE2 3.62Å; H168-E172 WeakPolarHBondContact O-CB 3.39Å; H168-E172 PolarHBondContact O-N 3.27Å |
| 169 | N | 82.9 | Confident | 77.6 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 13% | 0.128 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.9 | -37.2 | -176.9 | -64.9 | -40.2 | 0 | 0 | 0 | 111.8 | D166 E172 L173 L180 L200 | D166-N169 WeakPolarHBondContact CB-ND2 3.33Å; D166-N169 PolarHBondContact O-N 2.69Å; D166-N169 VanDerWaalsContact O-N 3.1Å; D166-N169 PolarHBondContact OD2-ND2 3.36Å; N169-E172 PolarHBondContact O-N 2.89Å; N169-L173 WeakPolarHBondContact O-CB 3.29Å; N169-L173 PolarHBondContact O-N 2.86Å; N169-L180 HydrophobicContact CB-CD1 4.36Å; N169-L180 WeakPolarHBondContact O-CD1 3.07Å; N169-L200 HydrophobicContact CB-CD1 3.8Å |
| 170 | V | 82.7 | Confident | 77.7 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 176 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | Y127 T155 L160 G167 H168 E172 L173 I174 | Y127-V170 VanDerWaalsContact OH-CG1 3.27Å; Y127-V170 WeakPolarHBondContact OH-CG1 3.42Å; T155-V170 HydrophobicContact CG2-CG1 4.14Å; T155-V170 VanDerWaalsContact OG1-CG1 3.26Å; T155-V170 WeakPolarHBondContact OG1-CG1 3.25Å; L160-V170 HydrophobicContact CD1-CG1 4.43Å; G167-V170 PolarHBondContact O-N 2.91Å; H168-V170 VanDerWaalsContact C-N 3.31Å; H168-V170 PolarHBondContact O-N 2.95Å; V170-E172 VanDerWaalsContact C-N 3.34Å; V170-E172 PolarHBondContact O-N 2.85Å; V170-L173 PolarHBondContact O-N 2.91Å; V170-I174 HydrophobicContact CG1-CD1 3.73Å; V170-I174 HydrophobicContact CG1-CG1 4.35Å; V170-I174 WeakPolarHBondContact O-CB 3.14Å; V170-I174 WeakPolarHBondContact O-CD1 3.37Å; V170-I174 WeakPolarHBondContact O-CG1 3.37Å; V170-I174 PolarHBondContact O-N 3.01Å |
| 171 | M | 84.3 | Confident | 77.8 | Confident | 43 Ų | 43 | 47.6 Ų | 47.6 | 21% | 0.212 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 176.4 | -70.2 | -56.5 | -59.9 | 0 | 0 | 112.5 | T148 L150 A153 G167 H168 I174 N175 | T148-M171 HydrophobicContact CG2-SD 3.87Å; L150-M171 HydrophobicContact CD2-CE 4.31Å; A153-M171 HydrophobicContact CB-CG 4.21Å; G167-M171 WeakPolarHBondContact O-CG 3.41Å; G167-M171 PolarHBondContact O-N 3.15Å; G167-M171 VanDerWaalsContact O-N 3.09Å; H168-M171 PolarHBondContact O-N 3.3Å; M171-I174 PolarHBondContact O-N 2.72Å; M171-I174 HydrophobicContact SD-CD1 4.27Å; M171-N175 VanDerWaalsContact O-CB 3.29Å; M171-N175 WeakPolarHBondContact O-CB 3.28Å; M171-N175 PolarHBondContact O-N 2.94Å; M171-N175 PolarHBondContact O-ND2 3.12Å; M171-N175 VanDerWaalsContact O-ND2 3.14Å |
| 172 | E | 85 | Confident | 78.4 | Confident | 64 Ų | 64 | 46.3 Ų | 46.3 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.3 | -50.8 | 173.7 | -175.2 | 174.2 | 173.8 | 0 | 0 | 110.8 | H168 N169 V170 I174 N175 S176 | H168-E172 IonicContact CE1-OE2 3.63Å; H168-E172 IonicContact ND1-OE2 3.62Å; H168-E172 WeakPolarHBondContact O-CB 3.39Å; H168-E172 PolarHBondContact O-N 3.27Å; N169-E172 PolarHBondContact O-N 2.89Å; V170-E172 VanDerWaalsContact C-N 3.34Å; V170-E172 PolarHBondContact O-N 2.85Å; E172-I174 VanDerWaalsContact C-N 3.31Å; E172-I174 PolarHBondContact O-N 3.39Å; E172-N175 PolarHBondContact O-N 2.96Å; E172-N175 VanDerWaalsContact O-N 3.16Å; E172-S176 WeakPolarHBondContact O-CB 3.38Å; E172-S176 PolarHBondContact O-N 3.34Å; E172-S176 PolarHBondContact O-OG 2.86Å |
| 173 | L | 85.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.4 | -45.4 | 175.7 | 175.9 | 60.8 | 0 | 0 | 0 | 112.1 | I114 L160 N169 V170 T177 E178 L180 | I114-L173 HydrophobicContact CD1-CG 4.05Å; I114-L173 WeakPolarHBondContact CD1-O 3.37Å; I114-L173 HydrophobicContact CG1-CD1 4.12Å; I114-L173 HydrophobicContact CG1-CD2 4.31Å; I114-L173 HydrophobicContact CG1-CG 3.9Å; L160-L173 HydrophobicContact CD1-CD2 4.17Å; L160-L173 HydrophobicContact CD2-CD2 4.32Å; N169-L173 WeakPolarHBondContact O-CB 3.29Å; N169-L173 PolarHBondContact O-N 2.86Å; V170-L173 PolarHBondContact O-N 2.91Å; L173-T177 VanDerWaalsContact O-CA 3.31Å; L173-T177 WeakPolarHBondContact O-CA 3.43Å; L173-T177 PolarHBondContact O-N 2.81Å; L173-E178 WeakPolarHBondContact CD1-O 3.11Å; L173-L180 HydrophobicContact CB-CD1 3.75Å; L173-L180 HydrophobicContact CB-CG 4.11Å; L173-L180 HydrophobicContact CD1-CG 4.18Å |
| 174 | I | 86.1 | Confident | 80.4 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.2 | -39.6 | 179.1 | -70.9 | 167.7 | 0 | 0 | 0 | 112.1 | I114 P118 K125 Y127 T148 V170 M171 E172 | I114-I174 HydrophobicContact CD1-CB 4.46Å; I114-I174 HydrophobicContact CD1-CG1 4.2Å; P118-I174 HydrophobicContact CB-CG2 4.11Å; P118-I174 HydrophobicContact CG-CG2 3.92Å; K125-I174 HydrophobicContact CD-CG2 3.38Å; Y127-I174 HydrophobicContact CD1-CD1 4.16Å; Y127-I174 HydrophobicContact CD1-CG1 4.09Å; Y127-I174 HydrophobicContact CE1-CD1 3.39Å; Y127-I174 HydrophobicContact CE1-CG1 3.7Å; Y127-I174 HydrophobicContact CE2-CG1 4.35Å; T148-I174 HydrophobicContact CG2-CD1 4.08Å; V170-I174 HydrophobicContact CG1-CD1 3.73Å; V170-I174 HydrophobicContact CG1-CG1 4.35Å; V170-I174 WeakPolarHBondContact O-CB 3.14Å; V170-I174 WeakPolarHBondContact O-CD1 3.37Å; V170-I174 WeakPolarHBondContact O-CG1 3.37Å; V170-I174 PolarHBondContact O-N 3.01Å; M171-I174 PolarHBondContact O-N 2.72Å; M171-I174 HydrophobicContact SD-CD1 4.27Å; E172-I174 VanDerWaalsContact C-N 3.31Å; E172-I174 PolarHBondContact O-N 3.39Å |
| 175 | N | 86 | Confident | 82 | Confident | 104 Ų | 104 | 39 Ų | 39 | 56% | 0.556 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -85.8 | -36.6 | -173.2 | -69.6 | -26.3 | 0 | 0 | 0 | 112.9 | K125 M171 E172 | K125-N175 PolarHBondContact NZ-OD1 2.89Å; M171-N175 VanDerWaalsContact O-CB 3.29Å; M171-N175 WeakPolarHBondContact O-CB 3.28Å; M171-N175 PolarHBondContact O-N 2.94Å; M171-N175 PolarHBondContact O-ND2 3.12Å; M171-N175 VanDerWaalsContact O-ND2 3.14Å; E172-N175 PolarHBondContact O-N 2.96Å; E172-N175 VanDerWaalsContact O-N 3.16Å |
| 176 | S | 84.1 | Confident | 83.3 | Confident | 41 Ų | 41 | 34.1 Ų | 34.1 | 29% | 0.287 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -83.6 | -29.3 | 178.8 | 71.4 | 0 | 0 | 0 | 0 | 112.1 | E172 E178 | E172-S176 WeakPolarHBondContact O-CB 3.38Å; E172-S176 PolarHBondContact O-N 3.34Å; E172-S176 PolarHBondContact O-OG 2.86Å; S176-E178 PolarHBondContact O-N 2.04Å; S176-E178 PolarHBondContact OG-N 3.5Å |
| 177 | T | 80.7 | Confident | 84.4 | Confident | 81 Ų | 81 | 30.7 Ų | 30.7 | 50% | 0.497 | 17% | 0.165 | S | C | . | . | trans | 56.9 | 5.7 | -165.2 | 66.4 | 0 | 0 | 0 | 0 | 114.2 | L173 | L173-T177 VanDerWaalsContact O-CA 3.31Å; L173-T177 WeakPolarHBondContact O-CA 3.43Å; L173-T177 PolarHBondContact O-N 2.81Å | ||
| 178 | E | 84.1 | Confident | 84.6 | Confident | 72 Ų | 72 | 30 Ų | 30 | 34% | 0.336 | 16% | 0.157 | S | C | . | . | P | Polyproline II helix | trans | -77.1 | 141.1 | 177 | -66.2 | -167.2 | 174.2 | 0 | 0 | 110.1 | L173 S176 L180 A202 | L173-E178 WeakPolarHBondContact CD1-O 3.11Å; S176-E178 PolarHBondContact O-N 2.04Å; S176-E178 PolarHBondContact OG-N 3.5Å; E178-L180 PolarHBondContact O-N 2.85Å; E178-A202 HydrophobicContact CB-CB 4.39Å |
| 179 | P | 86 | Confident | 84.2 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 8% | 0.084 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 134.5 | 173.7 | -20.3 | 31.2 | 0 | 0 | 0 | 111.5 | A62 I111 Y112 G203 | A62-P179 HydrophobicContact CB-CB 3.9Å; A62-P179 HydrophobicContact CB-CG 3.97Å; I111-P179 HydrophobicContact CG2-CB 3.7Å; Y112-P179 CarbonylContact O-C 3.56Å; Y112-P179 VanDerWaalsContact O-CA 3.3Å; Y112-P179 WeakPolarHBondContact O-CA 3.49Å; P179-G203 PolarHBondContact O-N 2.99Å |
| 180 | L | 86.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 120.3 | 172.6 | -65.7 | -173.3 | 0 | 0 | 0 | 110.4 | I111 Y112 N169 L173 E178 L200 A202 | I111-L180 WeakPolarHBondContact CA-O 3.36Å; I111-L180 WeakPolarHBondContact CG2-O 3.36Å; Y112-L180 PolarHBondContact N-O 2.9Å; Y112-L180 PolarHBondContact O-N 3.19Å; N169-L180 HydrophobicContact CB-CD1 4.36Å; N169-L180 WeakPolarHBondContact O-CD1 3.07Å; L173-L180 HydrophobicContact CB-CD1 3.75Å; L173-L180 HydrophobicContact CB-CG 4.11Å; L173-L180 HydrophobicContact CD1-CG 4.18Å; E178-L180 PolarHBondContact O-N 2.85Å; L180-L200 HydrophobicContact CB-CB 4.47Å; L180-L200 HydrophobicContact CD1-CB 4.4Å; L180-L200 HydrophobicContact CD1-CD1 4.48Å; L180-A202 HydrophobicContact CD2-CB 4.16Å |
| 181 | W | 85.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 133.2 | 176.8 | -69.7 | 73.4 | 0 | 0 | 0 | 110.5 | M59 A65 V66 M69 Y107 I111 T183 L200 E201 G203 | M59-W181 HydrophobicContact CB-CZ2 3.69Å; M59-W181 HydrophobicContact CG-CZ2 3.88Å; M59-W181 HydrophobicContact SD-CD2 4.09Å; M59-W181 HydrophobicContact SD-CG 4.4Å; M59-W181 HydrophobicContact SD-CZ2 4.01Å; A65-W181 HydrophobicContact CB-CH2 3.5Å; A65-W181 HydrophobicContact CB-CZ2 3.69Å; V66-W181 HydrophobicContact CG2-CH2 4.33Å; V66-W181 HydrophobicContact CG2-CZ3 4.37Å; M69-W181 HydrophobicContact CE-CE3 4.45Å; M69-W181 HydrophobicContact CE-CH2 3.56Å; M69-W181 HydrophobicContact CE-CZ3 3.4Å; M69-W181 HydrophobicContact SD-CH2 4.3Å; M69-W181 HydrophobicContact SD-CZ3 3.86Å; Y107-W181 HydrophobicContact CD1-CB 3.78Å; Y107-W181 HydrophobicContact CD1-CD2 4.35Å; Y107-W181 HydrophobicContact CD1-CE3 4.26Å; Y107-W181 HydrophobicContact CD1-CG 4.2Å; Y107-W181 HydrophobicContact CE1-CB 4.27Å; Y107-W181 HydrophobicContact CG-CE3 4.35Å; I111-W181 HydrophobicContact CD1-CD2 3.66Å; I111-W181 HydrophobicContact CD1-CE3 3.59Å; I111-W181 HydrophobicContact CD1-CH2 3.32Å; I111-W181 HydrophobicContact CD1-CZ2 3.35Å; I111-W181 HydrophobicContact CD1-CZ3 3.44Å; I111-W181 VanDerWaalsContact CD1-CZ3 3.44Å; I111-W181 HydrophobicContact CG1-CD2 3.76Å; I111-W181 HydrophobicContact CG1-CE3 3.66Å; I111-W181 HydrophobicContact CG1-CG 4.33Å; I111-W181 HydrophobicContact CG1-CH2 4.3Å; I111-W181 HydrophobicContact CG1-CZ2 4.37Å; I111-W181 HydrophobicContact CG1-CZ3 3.95Å; W181-T183 PolarHBondContact O-N 3.03Å; W181-L200 CarbonylContact O-C 3.59Å; W181-L200 WeakPolarHBondContact O-CA 3.4Å; W181-E201 PolarHBondContact N-O 2.97Å; W181-E201 PolarHBondContact O-N 3.16Å; W181-G203 VanDerWaalsContact CD1-CA 3.45Å |
| 182 | R | 86.3 | Confident | 81.7 | Confident | 29 Ų | 29 | 42.6 Ų | 42.6 | 11% | 0.109 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 120.6 | 169.9 | -170.4 | 171.3 | -159.8 | 143.1 | 8.8 | 110.2 | L85 T108 E110 E198 L200 | L85-R182 VanDerWaalsContact CD2-NH1 3.29Å; T108-R182 WeakPolarHBondContact CB-O 3.4Å; T108-R182 WeakPolarHBondContact CG2-O 3.46Å; T108-R182 PolarHBondContact N-O 3.24Å; T108-R182 WeakPolarHBondContact OG1-CB 3.45Å; T108-R182 PolarHBondContact OG1-O 3.12Å; E110-R182 HydrophobicContact CB-CB 4.29Å; E110-R182 WeakPolarHBondContact O-CB 3.37Å; E110-R182 PolarHBondContact O-N 3.24Å; E110-R182 WeakPolarHBondContact OE2-CD 3.45Å; E110-R182 IonicContact OE2-CZ 3.36Å; E110-R182 IonicContact OE2-NE 2.71Å; E110-R182 IonicContact OE2-NH1 3.87Å; E110-R182 PolarHBondContact OE2-NH1 3.07Å; R182-E198 IonicContact CZ-OE2 2.98Å; R182-E198 IonicContact NE-OE2 2.78Å; R182-E198 IonicContact NH2-OE2 3.73Å; R182-E198 PolarHBondContact NH2-OE2 3.04Å; R182-L200 HydrophobicContact CB-CD2 4.13Å; R182-L200 HydrophobicContact CG-CD2 4.46Å |
| 183 | T | 86 | Confident | 81.2 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 150 | -176.5 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | V106 Y107 W181 E198 S199 E201 | V106-T183 CarbonylContact O-C 3.59Å; V106-T183 VanDerWaalsContact O-CA 3.28Å; V106-T183 WeakPolarHBondContact O-CA 3.29Å; Y107-T183 HydrophobicContact CD1-CG2 3.27Å; Y107-T183 HydrophobicContact CE1-CG2 3.36Å; Y107-T183 HydrophobicContact CG-CG2 4.25Å; W181-T183 PolarHBondContact O-N 3.03Å; T183-E198 WeakPolarHBondContact O-CA 3.49Å; T183-S199 PolarHBondContact N-O 3.25Å; T183-S199 PolarHBondContact O-N 2.91Å; T183-S199 PolarHBondContact OG1-O 3.41Å; T183-S199 VanDerWaalsContact OG1-O 3.12Å; T183-S199 PolarHBondContact OG1-OG 3.22Å; T183-E201 HydrophobicContact CG2-CB 4.14Å; T183-E201 HydrophobicContact CG2-CG 3.94Å |
| 184 | I | 86.7 | Confident | 80.8 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 133.6 | 169.8 | -167.7 | 165 | 0 | 0 | 0 | 110.6 | L88 V106 K195 T197 E198 | L88-I184 HydrophobicContact CD1-CB 4.3Å; L88-I184 HydrophobicContact CD1-CD1 3.97Å; L88-I184 HydrophobicContact CD1-CG2 3.74Å; L88-I184 HydrophobicContact CD2-CD1 4.48Å; L88-I184 HydrophobicContact CD2-CG2 4.5Å; V106-I184 HydrophobicContact CB-CG2 3.7Å; V106-I184 HydrophobicContact CG1-CG2 4.17Å; V106-I184 PolarHBondContact N-O 3.03Å; V106-I184 PolarHBondContact O-N 3.07Å; I184-K195 HydrophobicContact CD1-CB 3.83Å; I184-K195 HydrophobicContact CD1-CD 3.56Å; I184-K195 HydrophobicContact CD1-CG 3.62Å; I184-K195 HydrophobicContact CG1-CB 4.43Å; I184-K195 HydrophobicContact CG1-CG 4.49Å; I184-T197 WeakPolarHBondContact CA-O 3.38Å; I184-T197 WeakPolarHBondContact CG1-O 3.46Å; I184-E198 HydrophobicContact CD1-CG 4.4Å |
| 185 | T | 88 | Confident | 80.3 | Confident | 15 Ų | 15 | 48 Ų | 48 | 9% | 0.092 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 118.5 | 173.2 | -53.6 | 0 | 0 | 0 | 0 | 109.6 | F103 L104 N105 Q196 T197 | F103-T185 HydrophobicContact CB-CG2 3.98Å; F103-T185 HydrophobicContact CD2-CG2 4.39Å; L104-T185 CarbonylContact O-C 3.54Å; L104-T185 VanDerWaalsContact O-CA 3.32Å; L104-T185 WeakPolarHBondContact O-CA 3.49Å; N105-T185 PolarHBondContact OD1-OG1 3.48Å; N105-T185 VanDerWaalsContact OD1-OG1 3.07Å; T185-Q196 PolarHBondContact O-N 3.21Å; T185-T197 WeakPolarHBondContact CB-OG1 3.48Å; T185-T197 PolarHBondContact N-O 3.35Å; T185-T197 PolarHBondContact OG1-OG1 3.38Å |
| 186 | L | 86.8 | Confident | 79.6 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 142.6 | 169.5 | -59.6 | -176.6 | 0 | 0 | 0 | 109.4 | F27 L93 F103 L104 V106 V193 K195 L213 | F27-L186 HydrophobicContact CE2-CD1 4.48Å; L93-L186 HydrophobicContact CD1-CD2 4.21Å; F103-L186 CarbonylContact C-O 3.54Å; F103-L186 WeakPolarHBondContact CA-O 3.41Å; F103-L186 WeakPolarHBondContact CB-O 3.34Å; L104-L186 HydrophobicContact CB-CB 4.38Å; L104-L186 PolarHBondContact N-O 2.92Å; L104-L186 PolarHBondContact O-N 3.46Å; V106-L186 HydrophobicContact CG2-CD1 3.75Å; V106-L186 HydrophobicContact CG2-CG 3.97Å; L186-V193 HydrophobicContact CB-CG1 4.09Å; L186-K195 HydrophobicContact CD2-CG 3.89Å; L186-L213 HydrophobicContact CD1-CD2 4.41Å |
| 187 | S | 84.8 | Confident | 79.4 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 163.4 | 175.5 | 61.5 | 0 | 0 | 0 | 0 | 110.1 | V193 Y194 Q196 | S187-V193 CarbonylContact O-C 3.51Å; S187-V193 VanDerWaalsContact O-CA 3.3Å; S187-V193 WeakPolarHBondContact O-CA 3.47Å; S187-V193 WeakPolarHBondContact O-CG1 3.48Å; S187-Y194 PolarHBondContact N-O 2.93Å; S187-Y194 VanDerWaalsContact O-CD1 3.31Å; S187-Y194 WeakPolarHBondContact O-CD1 3.43Å; S187-Y194 PolarHBondContact O-N 3.31Å; S187-Y194 WeakPolarHBondContact OG-CD2 3.44Å; S187-Y194 WeakPolarHBondContact OG-CE1 3.34Å; S187-Y194 WeakPolarHBondContact OG-CE2 3.01Å; S187-Y194 PolarHBondContact OG-OH 2.72Å; S187-Q196 VanDerWaalsContact OG-CG 3.26Å; S187-Q196 WeakPolarHBondContact OG-CG 3.05Å; S187-Q196 PolarHBondContact OG-NE2 3.07Å |
| 188 | S | 77.6 | Confident | 79.5 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.5 | -174.9 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | L98 R192 | L98-S188 WeakPolarHBondContact O-CB 2.94Å; L98-S188 PolarHBondContact O-OG 2.94Å; S188-R192 WeakPolarHBondContact CA-O 3.33Å |
| 189 | N | 72.3 | Confident | 79.4 | Confident | 77 Ų | 77 | 48.7 Ų | 48.7 | 41% | 0.412 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 127.8 | 168.2 | 177 | 7.9 | 0 | 0 | 0 | 108.6 | Q191 R192 Y194 | N189-Q191 PolarHBondContact O-N 2.81Å; N189-R192 PolarHBondContact N-O 3.1Å; N189-R192 PolarHBondContact O-N 3.49Å; N189-Y194 HydrophobicContact CB-CD1 4.43Å; N189-Y194 HydrophobicContact CB-CE1 3.7Å |
| 190 | S | 66.8 | Low | 79.2 | Confident | 86 Ų | 86 | 49.3 Ų | 49.3 | 60% | 0.601 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 46.7 | 173.7 | -54 | 0 | 0 | 0 | 0 | 112 | R192 | S190-R192 PolarHBondContact O-N 2.79Å; S190-R192 VanDerWaalsContact O-N 3.14Å |
| 191 | Q | 62 | Low | 78.9 | Confident | 116 Ų | 116 | 50.4 Ų | 50.4 | 54% | 0.542 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 0.5 | -177.2 | -55 | 176.3 | -7.9 | 0 | 0 | 116.5 | N95 G96 N189 | N95-Q191 WeakPolarHBondContact CA-O 3.39Å; G96-Q191 PolarHBondContact N-O 2.91Å; N189-Q191 PolarHBondContact O-N 2.81Å |
| 192 | R | 68.9 | Low | 78.5 | Confident | 177 Ų | 177 | 51 Ų | 51 | 67% | 0.668 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 125.4 | 172.7 | -64.2 | -171.8 | 175.8 | 169.3 | 2.1 | 109.9 | L94 S188 N189 S190 | L94-R192 WeakPolarHBondContact O-CA 3.44Å; S188-R192 WeakPolarHBondContact CA-O 3.33Å; N189-R192 PolarHBondContact N-O 3.1Å; N189-R192 PolarHBondContact O-N 3.49Å; S190-R192 PolarHBondContact O-N 2.79Å; S190-R192 VanDerWaalsContact O-N 3.14Å |
| 193 | V | 73.6 | Confident | 77.5 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 133.8 | 172.7 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | F27 L93 L98 L186 S187 | F27-V193 HydrophobicContact CD1-CB 4.07Å; F27-V193 HydrophobicContact CD1-CG1 4.19Å; F27-V193 HydrophobicContact CD1-CG2 3.53Å; F27-V193 HydrophobicContact CE1-CB 4.38Å; F27-V193 HydrophobicContact CE1-CG1 4.15Å; F27-V193 HydrophobicContact CE1-CG2 3.7Å; L93-V193 WeakPolarHBondContact CB-O 3.15Å; L93-V193 HydrophobicContact CD1-CB 4.07Å; L93-V193 HydrophobicContact CD1-CG1 3.78Å; L98-V193 HydrophobicContact CB-CG2 4.17Å; L98-V193 HydrophobicContact CD2-CG1 4.37Å; L186-V193 HydrophobicContact CB-CG1 4.09Å; S187-V193 CarbonylContact O-C 3.51Å; S187-V193 VanDerWaalsContact O-CA 3.3Å; S187-V193 WeakPolarHBondContact O-CA 3.47Å; S187-V193 WeakPolarHBondContact O-CG1 3.48Å |
| 194 | Y | 77.5 | Confident | 76.2 | Confident | 99 Ų | 99 | 51.9 Ų | 51.9 | 39% | 0.388 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 154.1 | 179.6 | 59.7 | -80.9 | 0 | 0 | 0 | 110.8 | S187 N189 Q196 | S187-Y194 PolarHBondContact N-O 2.93Å; S187-Y194 VanDerWaalsContact O-CD1 3.31Å; S187-Y194 WeakPolarHBondContact O-CD1 3.43Å; S187-Y194 PolarHBondContact O-N 3.31Å; S187-Y194 WeakPolarHBondContact OG-CD2 3.44Å; S187-Y194 WeakPolarHBondContact OG-CE1 3.34Å; S187-Y194 WeakPolarHBondContact OG-CE2 3.01Å; S187-Y194 PolarHBondContact OG-OH 2.72Å; N189-Y194 HydrophobicContact CB-CD1 4.43Å; N189-Y194 HydrophobicContact CB-CE1 3.7Å; Y194-Q196 HydrophobicContact CD2-CG 3.89Å; Y194-Q196 HydrophobicContact CE2-CG 3.5Å; Y194-Q196 PolarHBondContact OH-NE2 2.97Å |
| 195 | K | 76.6 | Confident | 74.8 | Confident | 76 Ų | 76 | 55.4 Ų | 55.4 | 33% | 0.33 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 125.7 | 175.3 | -63.4 | 177.2 | -66.8 | 169.9 | 0 | 108.2 | L88 M91 I184 L186 | L88-K195 HydrophobicContact CB-CD 4.48Å; L88-K195 PolarHBondContact O-NZ 3.23Å; M91-K195 HydrophobicContact CE-CD 4Å; M91-K195 HydrophobicContact CE-CG 4.35Å; I184-K195 HydrophobicContact CD1-CB 3.83Å; I184-K195 HydrophobicContact CD1-CD 3.56Å; I184-K195 HydrophobicContact CD1-CG 3.62Å; I184-K195 HydrophobicContact CG1-CB 4.43Å; I184-K195 HydrophobicContact CG1-CG 4.49Å; L186-K195 HydrophobicContact CD2-CG 3.89Å |
| 196 | Q | 70.7 | Confident | 73.3 | Confident | 103 Ų | 103 | 58.1 Ų | 58.1 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -59.5 | 178.5 | -82.6 | -173.6 | -2.2 | 0 | 0 | 112.2 | T185 S187 Y194 | T185-Q196 PolarHBondContact O-N 3.21Å; S187-Q196 VanDerWaalsContact OG-CG 3.26Å; S187-Q196 WeakPolarHBondContact OG-CG 3.05Å; S187-Q196 PolarHBondContact OG-NE2 3.07Å; Y194-Q196 HydrophobicContact CD2-CG 3.89Å; Y194-Q196 HydrophobicContact CE2-CG 3.5Å; Y194-Q196 PolarHBondContact OH-NE2 2.97Å |
| 197 | T | 79.9 | Confident | 72.3 | Confident | 77 Ų | 77 | 62.1 Ų | 62.1 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 138.3 | -167.2 | 44.8 | 0 | 0 | 0 | 0 | 110.7 | I184 T185 | I184-T197 WeakPolarHBondContact CA-O 3.38Å; I184-T197 WeakPolarHBondContact CG1-O 3.46Å; T185-T197 WeakPolarHBondContact CB-OG1 3.48Å; T185-T197 PolarHBondContact N-O 3.35Å; T185-T197 PolarHBondContact OG1-OG1 3.38Å |
| 198 | E | 82.2 | Confident | 71.5 | Confident | 91 Ų | 91 | 68.4 Ų | 68.4 | 43% | 0.425 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 133.8 | 165.7 | -64.3 | -179.8 | -161.4 | 0 | 0 | 108 | L85 R182 T183 I184 | L85-E198 HydrophobicContact CD1-CG 4.38Å; L85-E198 WeakPolarHBondContact CD1-OE2 3.36Å; R182-E198 IonicContact CZ-OE2 2.98Å; R182-E198 IonicContact NE-OE2 2.78Å; R182-E198 IonicContact NH2-OE2 3.73Å; R182-E198 PolarHBondContact NH2-OE2 3.04Å; T183-E198 WeakPolarHBondContact O-CA 3.49Å; I184-E198 HydrophobicContact CD1-CG 4.4Å |
| 199 | S | 82.2 | Confident | 71.4 | Confident | 41 Ų | 41 | 69.8 Ų | 69.8 | 29% | 0.287 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 168.5 | 179.6 | 42.2 | 0 | 0 | 0 | 0 | 111.4 | T183 | T183-S199 PolarHBondContact N-O 3.25Å; T183-S199 PolarHBondContact O-N 2.91Å; T183-S199 PolarHBondContact OG1-O 3.41Å; T183-S199 VanDerWaalsContact OG1-O 3.12Å; T183-S199 PolarHBondContact OG1-OG 3.22Å |
| 200 | L | 81.9 | Confident | 72 | Confident | 25 Ų | 25 | 66.3 Ų | 66.3 | 13% | 0.131 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 134.4 | 167.5 | -65.1 | 164.9 | 0 | 0 | 0 | 107.8 | Y112 L163 N169 L180 W181 R182 | Y112-L200 HydrophobicContact CD2-CD2 4.09Å; Y112-L200 HydrophobicContact CE2-CD2 4.17Å; L163-L200 HydrophobicContact CB-CD1 3.98Å; L163-L200 HydrophobicContact CD1-CD1 4.13Å; L163-L200 HydrophobicContact CD2-CD1 3.42Å; L163-L200 VanDerWaalsContact CD2-CD1 3.42Å; L163-L200 HydrophobicContact CD2-CD2 3.85Å; L163-L200 HydrophobicContact CD2-CG 4.19Å; L163-L200 HydrophobicContact CG-CD1 4.02Å; N169-L200 HydrophobicContact CB-CD1 3.8Å; L180-L200 HydrophobicContact CB-CB 4.47Å; L180-L200 HydrophobicContact CD1-CB 4.4Å; L180-L200 HydrophobicContact CD1-CD1 4.48Å; W181-L200 CarbonylContact O-C 3.59Å; W181-L200 WeakPolarHBondContact O-CA 3.4Å; R182-L200 HydrophobicContact CB-CD2 4.13Å; R182-L200 HydrophobicContact CG-CD2 4.46Å |
| 201 | E | 80.2 | Confident | 73 | Confident | 24 Ų | 24 | 62.2 Ų | 62.2 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 137 | 179 | -62.8 | -167.6 | 158 | 0 | 0 | 110.3 | Y107 W181 T183 G203 K207 | Y107-E201 PolarHBondContact OH-OE2 3.3Å; W181-E201 PolarHBondContact N-O 2.97Å; W181-E201 PolarHBondContact O-N 3.16Å; T183-E201 HydrophobicContact CG2-CB 4.14Å; T183-E201 HydrophobicContact CG2-CG 3.94Å; E201-G203 PolarHBondContact O-N 2.84Å; E201-K207 IonicContact OE1-NZ 2.77Å; E201-K207 PolarHBondContact OE1-NZ 2.84Å; E201-K207 IonicContact OE2-NZ 2.67Å; E201-K207 PolarHBondContact OE2-NZ 3.1Å |
| 202 | A | 77.6 | Confident | 74.3 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 12% | 0.116 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 132.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E178 L180 G204 | E178-A202 HydrophobicContact CB-CB 4.39Å; L180-A202 HydrophobicContact CD2-CB 4.16Å; A202-G204 PolarHBondContact O-N 3.08Å; A202-G204 VanDerWaalsContact O-N 3.07Å |
| 203 | G | 64.6 | Low | 75.3 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | M59 P179 W181 E201 T205 | M59-G203 WeakPolarHBondContact CB-O 3.39Å; P179-G203 PolarHBondContact O-N 2.99Å; W181-G203 VanDerWaalsContact CD1-CA 3.45Å; E201-G203 PolarHBondContact O-N 2.84Å; G203-T205 PolarHBondContact O-N 3.36Å; G203-T205 VanDerWaalsContact O-N 3.12Å |
| 204 | G | 59.2 | Low | 76.1 | Confident | 46 Ų | 46 | 48 Ų | 48 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A202 | A202-G204 PolarHBondContact O-N 3.08Å; A202-G204 VanDerWaalsContact O-N 3.07Å |
| 205 | T | 57.3 | Low | 76.7 | Confident | 77 Ų | 77 | 43.8 Ų | 43.8 | 47% | 0.472 | 25% | 0.245 | S | C | . | . | trans | -116.3 | 92.5 | -176.4 | 44.4 | 0 | 0 | 0 | 0 | 112.7 | Y107 G203 K207 | Y107-T205 PolarHBondContact OH-O 2.81Å; G203-T205 PolarHBondContact O-N 3.36Å; G203-T205 VanDerWaalsContact O-N 3.12Å; T205-K207 PolarHBondContact O-N 3.33Å | ||
| 206 | V | 56.9 | Low | 77.2 | Confident | 71 Ų | 71 | 40.3 Ų | 40.3 | 43% | 0.43 | 23% | 0.23 | S | C | . | . | trans | -63.1 | 106.9 | 161.3 | 169.3 | 0 | 0 | 0 | 0 | 108.1 | I51 M59 | I51-V206 HydrophobicContact CG2-CB 4.38Å; I51-V206 HydrophobicContact CG2-CG1 3.4Å; I51-V206 HydrophobicContact CG2-CG2 4.26Å; M59-V206 HydrophobicContact CE-CG2 4.32Å | ||
| 207 | K | 65.6 | Low | 77.8 | Confident | 86 Ų | 86 | 38.3 Ų | 38.3 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | trans | -89.5 | 153.3 | 175.9 | -58.8 | 174 | -174.4 | 173 | 0 | 110.5 | E201 T205 S210 | E201-K207 IonicContact OE1-NZ 2.77Å; E201-K207 PolarHBondContact OE1-NZ 2.84Å; E201-K207 IonicContact OE2-NZ 2.67Å; E201-K207 PolarHBondContact OE2-NZ 3.1Å; T205-K207 PolarHBondContact O-N 3.33Å; K207-S210 WeakPolarHBondContact CB-OG 3.47Å; K207-S210 VanDerWaalsContact O-CB 3.27Å; K207-S210 WeakPolarHBondContact O-CB 3.45Å; K207-S210 PolarHBondContact O-N 3.17Å; K207-S210 PolarHBondContact O-OG 3.48Å | ||
| 208 | N | 68.4 | Low | 77.9 | Confident | 136 Ų | 136 | 35.4 Ų | 35.4 | 73% | 0.727 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 142.7 | 167.9 | -75.4 | -18.7 | 0 | 0 | 0 | 110 | S210 | N208-S210 PolarHBondContact O-N 3.47Š|
| 209 | N | 75 | Confident | 77.6 | Confident | 35 Ų | 35 | 32 Ų | 32 | 19% | 0.187 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 20 | -175.8 | -57.8 | -15.7 | 0 | 0 | 0 | 114.3 | R23 L104 N105 | R23-N209 PolarHBondContact NH1-OD1 2.82Å; L104-N209 HydrophobicContact CD2-CB 4.4Å; N105-N209 PolarHBondContact N-O 3.49Å |
| 210 | S | 85.2 | Confident | 77 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 3% | 0.028 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 147.8 | 170.1 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | I51 N105 K207 N208 | I51-S210 WeakPolarHBondContact CG2-O 3.37Å; I51-S210 PolarHBondContact N-O 2.78Å; I51-S210 VanDerWaalsContact N-O 3.1Å; N105-S210 WeakPolarHBondContact CB-OG 3.44Å; N105-S210 VanDerWaalsContact O-CA 3.23Å; N105-S210 WeakPolarHBondContact O-CA 3.5Å; K207-S210 WeakPolarHBondContact CB-OG 3.47Å; K207-S210 VanDerWaalsContact O-CB 3.27Å; K207-S210 WeakPolarHBondContact O-CB 3.45Å; K207-S210 PolarHBondContact O-N 3.17Å; K207-S210 PolarHBondContact O-OG 3.48Å; N208-S210 PolarHBondContact O-N 3.47Å |
| 211 | G | 88.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.3 | -169.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F48 V49 N105 V106 Y107 | F48-G211 VanDerWaalsContact CE2-CA 3.5Å; V49-G211 CarbonylContact O-C 3.56Å; V49-G211 WeakPolarHBondContact O-CA 3.49Å; N105-G211 PolarHBondContact O-N 2.9Å; V106-G211 CarbonylContact C-O 3.52Å; V106-G211 WeakPolarHBondContact CA-O 3.16Å; Y107-G211 WeakPolarHBondContact CD2-O 3.32Å; Y107-G211 PolarHBondContact N-O 2.92Å |
| 212 | F | 88.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 163 | 171.7 | 61.5 | -82.8 | 0 | 0 | 0 | 109.7 | V49 I51 V54 M69 Y72 V82 | V49-F212 HydrophobicContact CB-CD1 4.1Å; V49-F212 HydrophobicContact CB-CD2 4.16Å; V49-F212 HydrophobicContact CB-CE1 3.7Å; V49-F212 HydrophobicContact CB-CE2 3.79Å; V49-F212 HydrophobicContact CB-CG 4.32Å; V49-F212 HydrophobicContact CB-CZ 3.55Å; V49-F212 HydrophobicContact CG1-CD1 4.34Å; V49-F212 HydrophobicContact CG1-CE1 3.51Å; V49-F212 HydrophobicContact CG1-CE2 4.12Å; V49-F212 HydrophobicContact CG1-CZ 3.39Å; V49-F212 HydrophobicContact CG2-CD2 4.44Å; V49-F212 HydrophobicContact CG2-CE2 3.92Å; V49-F212 HydrophobicContact CG2-CZ 4.06Å; V49-F212 PolarHBondContact N-O 3.35Å; V49-F212 PolarHBondContact O-N 3.04Å; I51-F212 HydrophobicContact CD1-CD1 4.45Å; V54-F212 HydrophobicContact CG2-CE1 3.9Å; M69-F212 HydrophobicContact CB-CD2 3.96Å; M69-F212 HydrophobicContact CB-CE2 4.03Å; M69-F212 HydrophobicContact CB-CG 4.21Å; M69-F212 HydrophobicContact CB-CZ 4.35Å; M69-F212 HydrophobicContact CE-CB 4.39Å; M69-F212 HydrophobicContact CE-CD1 4.24Å; M69-F212 HydrophobicContact CG-CB 4.28Å; M69-F212 HydrophobicContact CG-CD1 3.73Å; M69-F212 HydrophobicContact CG-CD2 4.02Å; M69-F212 HydrophobicContact CG-CE1 3.97Å; M69-F212 HydrophobicContact CG-CE2 4.22Å; M69-F212 HydrophobicContact CG-CG 3.75Å; M69-F212 HydrophobicContact CG-CZ 4.19Å; M69-F212 HydrophobicContact SD-CB 3.86Å; M69-F212 HydrophobicContact SD-CD1 4.22Å; M69-F212 HydrophobicContact SD-CG 4.01Å; Y72-F212 HydrophobicContact CD1-CE2 4.05Å; Y72-F212 AromaticContact CD1-CZ 3.91Å; Y72-F212 HydrophobicContact CD1-CZ 3.91Å; Y72-F212 HydrophobicContact CG-CE2 4.4Å; Y72-F212 AromaticContact CG-CZ 3.96Å; Y72-F212 HydrophobicContact CG-CZ 3.96Å; V82-F212 HydrophobicContact CG2-CB 4.43Å; V82-F212 HydrophobicContact CG2-CD2 4.24Å |
| 213 | L | 90.2 | Very high | 74.7 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.6 | -179.3 | -164.1 | 70 | 0 | 0 | 0 | 108.7 | F27 F46 F48 V83 V106 L186 | F27-L213 HydrophobicContact CD2-CD1 3.97Å; F27-L213 HydrophobicContact CE2-CD1 3.77Å; F46-L213 HydrophobicContact CB-CD1 3.97Å; F46-L213 HydrophobicContact CB-CD2 3.97Å; F46-L213 HydrophobicContact CB-CG 3.99Å; F46-L213 HydrophobicContact CD1-CD2 3.7Å; F46-L213 HydrophobicContact CD1-CG 4.14Å; F46-L213 HydrophobicContact CG-CD2 4.12Å; F48-L213 HydrophobicContact CB-CD1 4.14Å; V83-L213 HydrophobicContact CB-CB 4.11Å; V83-L213 WeakPolarHBondContact CB-O 3.19Å; V83-L213 HydrophobicContact CG2-CB 3.98Å; V83-L213 HydrophobicContact CG2-CD2 4.07Å; V83-L213 HydrophobicContact CG2-CG 4.05Å; V83-L213 VanDerWaalsContact CG2-O 3.29Å; V83-L213 WeakPolarHBondContact CG2-O 3.34Å; V83-L213 PolarHBondContact N-O 3.21Å; V106-L213 HydrophobicContact CG1-CB 3.68Å; L186-L213 HydrophobicContact CD1-CD2 4.41Å |
| 214 | C | 89.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 133.2 | 166.8 | -64 | 0 | 0 | 0 | 0 | 109 | F46 T47 C73 L77 Q81 | F46-C214 CarbonylContact C-O 3.59Å; F46-C214 WeakPolarHBondContact CA-O 3.23Å; T47-C214 PolarHBondContact N-O 3.22Å; T47-C214 PolarHBondContact O-N 3.4Å; C73-C214 WeakPolarHBondContact CA-SG 3.3Å; C73-C214 HydrophobicContact CB-CB 3.8Å; C73-C214 WeakPolarHBondContact CB-SG 3.32Å; C73-C214 VanDerWaalsContact SG-CA 3.53Å; C73-C214 WeakPolarHBondContact SG-CB 3.33Å; C73-C214 CovalentContact SG-SG 2.04Å; C73-C214 PolarHBondContact SG-SG 3.41Å; L77-C214 HydrophobicContact CD1-CB 3.33Å; Q81-C214 CarbonylContact O-C 3.49Å; Q81-C214 WeakPolarHBondContact O-CA 3.43Å |
| 215 | V | 89.5 | Confident | 74.8 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 136.6 | 165.2 | 59.3 | 0 | 0 | 0 | 0 | 108.9 | I31 V44 C45 F46 G80 Q81 V83 M87 | I31-V215 HydrophobicContact CD1-CG2 3.92Å; V44-V215 HydrophobicContact CB-CG2 3.86Å; V44-V215 HydrophobicContact CG1-CG2 4.24Å; V44-V215 HydrophobicContact CG2-CG2 3.98Å; C45-V215 WeakPolarHBondContact O-CA 3.38Å; F46-V215 HydrophobicContact CD1-CB 3.87Å; F46-V215 HydrophobicContact CD1-CG2 4.04Å; F46-V215 HydrophobicContact CE1-CB 3.72Å; F46-V215 HydrophobicContact CE1-CG2 3.58Å; F46-V215 HydrophobicContact CZ-CG2 4.06Å; G80-V215 CarbonylContact C-O 3.48Å; G80-V215 WeakPolarHBondContact CA-O 3.49Å; Q81-V215 HydrophobicContact CB-CG1 4.12Å; Q81-V215 PolarHBondContact N-O 3.22Å; Q81-V215 WeakPolarHBondContact O-CG1 3.29Å; Q81-V215 PolarHBondContact O-N 2.89Å; V83-V215 HydrophobicContact CG2-CB 3.79Å; V83-V215 HydrophobicContact CG2-CG1 3.93Å; M87-V215 HydrophobicContact SD-CG1 3.89Å |
| 216 | H | 87.5 | Confident | 75.3 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 170.7 | -179.1 | 66.5 | 93.8 | 0 | 0 | 0 | 111.6 | C45 T47 L77 S78 Y219 | C45-H216 WeakPolarHBondContact CB-CE1 3.01Å; C45-H216 VanDerWaalsContact CB-NE2 3.32Å; C45-H216 WeakPolarHBondContact CB-NE2 2.95Å; C45-H216 PolarHBondContact N-O 2.94Å; C45-H216 PolarHBondContact O-N 3.21Å; T47-H216 PolarHBondContact OG1-NE2 3.49Å; L77-H216 HydrophobicContact CB-CB 3.84Å; S78-H216 WeakPolarHBondContact O-CB 3.24Å; H216-Y219 AromaticContact CE1-CE1 3.85Å; H216-Y219 AromaticContact CE1-CE2 3.66Å; H216-Y219 AromaticContact CE1-CZ 3.33Å; H216-Y219 PolarHBondContact CE1-OH 3.16Å; H216-Y219 VanDerWaalsContact CE1-OH 3.23Å |
| 217 | E | 84.3 | Confident | 75.8 | Confident | 61 Ų | 61 | 45.5 Ų | 45.5 | 29% | 0.285 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -71.8 | 152.7 | 176.9 | -68.9 | -169.5 | 138.7 | 0 | 0 | 112.1 | S78 N79 | S78-E217 PolarHBondContact O-N 3Å; N79-E217 HydrophobicContact CB-CG 4.2Å; N79-E217 PolarHBondContact ND2-OE2 3.05Å |
| 218 | P | 82.1 | Confident | 76.2 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 10% | 0.097 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -53.6 | 141.2 | 170.9 | -24.4 | 34.6 | 0 | 0 | 0 | 112.5 | K43 C45 | K43-P218 HydrophobicContact CB-CG 4.43Å; K43-P218 HydrophobicContact CD-CG 4.27Å; K43-P218 HydrophobicContact CG-CG 4.14Å; K43-P218 WeakPolarHBondContact O-CD 3.23Å; C45-P218 WeakPolarHBondContact SG-CA 3.21Å |
| 219 | Y | 75 | Confident | 76.4 | Confident | 19 Ų | 19 | 43.8 Ų | 43.8 | 8% | 0.075 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -59.6 | 141.6 | 178 | -62.1 | -72.8 | 0 | 0 | 0 | 110.6 | N11 G12 T13 P15 E17 H216 R259 | N11-Y219 CarbonylContact C-O 3.53Å; G12-Y219 PolarHBondContact N-O 2.86Å; T13-Y219 PolarHBondContact O-N 3.28Å; T13-Y219 VanDerWaalsContact O-N 3.15Å; P15-Y219 VanDerWaalsContact CD-CD2 3.48Å; P15-Y219 HydrophobicContact CG-CD2 3.96Å; P15-Y219 HydrophobicContact CG-CE2 4.15Å; E17-Y219 PolarHBondContact OE1-OH 3.12Å; H216-Y219 AromaticContact CE1-CE1 3.85Å; H216-Y219 AromaticContact CE1-CE2 3.66Å; H216-Y219 AromaticContact CE1-CZ 3.33Å; H216-Y219 PolarHBondContact CE1-OH 3.16Å; H216-Y219 VanDerWaalsContact CE1-OH 3.23Å; Y219-R259 WeakPolarHBondContact CE1-O 3.36Å |
| 220 | R | 70.7 | Confident | 76.4 | Confident | 155 Ų | 155 | 48.9 Ų | 48.9 | 59% | 0.585 | 23% | 0.228 | S | C | * | . | trans | -138.9 | 150.9 | 179 | -65.1 | -174.6 | -173.2 | -179.9 | 4 | 109.9 | C222 | R220-C222 VanDerWaalsContact C-N 3.26Å; R220-C222 PolarHBondContact O-N 3.35Å; R220-C222 PolarHBondContact O-SG 3.41Å; R220-C222 VanDerWaalsContact O-SG 3.36Å | ||
| 221 | D | 64.1 | Low | 75.9 | Confident | 117 Ų | 117 | 49.1 Ų | 49.1 | 63% | 0.626 | 23% | 0.23 | S | C | * | . | S | Bend | trans | 53.4 | 41.7 | 170.6 | -50 | -40.2 | 0 | 0 | 0 | 114.3 | ||
| 222 | C | 66.5 | Low | 75 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | trans | -91.2 | 98.2 | -176.2 | -74.3 | 0 | 0 | 0 | 0 | 110.7 | S8 P9 F10 R220 Y224 C260 | S8-C222 VanDerWaalsContact CA-O 3.32Å; S8-C222 WeakPolarHBondContact CA-O 3.39Å; P9-C222 WeakPolarHBondContact CD-O 3.02Å; F10-C222 HydrophobicContact CB-CB 3.94Å; F10-C222 HydrophobicContact CD2-CB 3.9Å; F10-C222 HydrophobicContact CG-CB 4.43Å; R220-C222 VanDerWaalsContact C-N 3.26Å; R220-C222 PolarHBondContact O-N 3.35Å; R220-C222 PolarHBondContact O-SG 3.41Å; R220-C222 VanDerWaalsContact O-SG 3.36Å; C222-Y224 VanDerWaalsContact C-CE2 3.49Å; C222-Y224 HydrophobicContact CB-CD2 4.17Å; C222-Y224 HydrophobicContact CB-CE2 3.59Å; C222-C260 WeakPolarHBondContact CA-SG 3.41Å; C222-C260 HydrophobicContact CB-CB 3.58Å; C222-C260 WeakPolarHBondContact CB-SG 3.42Å; C222-C260 WeakPolarHBondContact SG-CB 3.46Å; C222-C260 CovalentContact SG-SG 2.01Å; C222-C260 PolarHBondContact SG-SG 3.04Å | ||
| 223 | E | 60.1 | Low | 73.9 | Confident | 152 Ų | 152 | 56.1 Ų | 56.1 | 71% | 0.71 | 26% | 0.258 | S | S | * | . | trans | -99.7 | 124.1 | -179 | -62.3 | -171.4 | 168.7 | 0 | 0 | 112.4 | ||||
| 224 | Y | 65 | Low | 72.6 | Confident | 22 Ų | 22 | 58 Ų | 58 | 9% | 0.086 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 159.4 | -174.3 | -64.5 | -93.7 | 0 | 0 | 0 | 112.4 | V7 C222 Y246 I248 C260 | V7-Y224 PolarHBondContact N-O 2.76Å; V7-Y224 PolarHBondContact O-N 3.37Å; C222-Y224 VanDerWaalsContact C-CE2 3.49Å; C222-Y224 HydrophobicContact CB-CD2 4.17Å; C222-Y224 HydrophobicContact CB-CE2 3.59Å; Y224-Y246 VanDerWaalsContact CD1-CB 3.5Å; Y224-Y246 HydrophobicContact CD1-CG 4.33Å; Y224-Y246 HydrophobicContact CD2-CD1 4.49Å; Y224-Y246 AromaticContact CG-CD1 3.98Å; Y224-Y246 HydrophobicContact CG-CD1 3.98Å; Y224-Y246 HydrophobicContact CG-CG 4.11Å; Y224-I248 HydrophobicContact CD1-CG1 3.88Å; Y224-I248 HydrophobicContact CE1-CD1 4.2Å; Y224-I248 HydrophobicContact CE1-CG1 3.38Å; Y224-C260 HydrophobicContact CE2-CB 3.46Å; Y224-C260 VanDerWaalsContact CE2-CB 3.46Å; Y224-C260 VanDerWaalsContact CZ-CB 3.44Å; Y224-C260 WeakPolarHBondContact OH-CB 3.4Å; Y224-C260 PolarHBondContact OH-SG 3.09Å |
| 225 | L | 60.2 | Low | 71 | Confident | 30 Ų | 30 | 62 Ų | 62 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 120.7 | 158.2 | -64.7 | 174.7 | 0 | 0 | 0 | 109 | L4 Y246 F247 E249 | L4-L225 HydrophobicContact CB-CD2 4.1Å; L4-L225 HydrophobicContact CD2-CB 4.27Å; L225-Y246 WeakPolarHBondContact O-CA 3.43Å; L225-F247 HydrophobicContact CB-CB 4.37Å; L225-F247 PolarHBondContact N-O 3.42Å; L225-F247 VanDerWaalsContact N-O 3.09Å; L225-F247 PolarHBondContact O-N 2.81Å; L225-E249 HydrophobicContact CD1-CB 4.03Å; L225-E249 HydrophobicContact CD1-CG 3.99Å; L225-E249 HydrophobicContact CG-CB 4.14Å; L225-E249 HydrophobicContact CG-CG 4.48Å |
| 226 | E | 69.1 | Low | 69.1 | Low | 26 Ų | 26 | 66.3 Ų | 66.3 | 12% | 0.121 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 129.6 | -176.8 | -172.3 | -179.7 | 111.4 | 0 | 0 | 111.8 | R228 V244 Y246 | E226-R228 HydrophobicContact CG-CG 4.48Å; E226-R228 IonicContact OE1-CZ 3.93Å; E226-R228 IonicContact OE1-NE 2.99Å; E226-R228 PolarHBondContact OE1-NE 3.45Å; E226-R228 IonicContact OE1-NH2 3.16Å; E226-R228 PolarHBondContact OE1-NH2 3.42Å; E226-V244 HydrophobicContact CG-CG1 3.38Å; E226-Y246 HydrophobicContact CB-CD1 4.38Å; E226-Y246 HydrophobicContact CB-CE1 4.12Å; E226-Y246 HydrophobicContact CG-CD1 4.45Å; E226-Y246 HydrophobicContact CG-CE1 3.87Å |
| 227 | Q | 67.1 | Low | 67.7 | Low | 81 Ų | 81 | 68.5 Ų | 68.5 | 38% | 0.379 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129.4 | 165.5 | -175.8 | -179 | -5.8 | 0 | 0 | 110.1 | L245 F247 | Q227-L245 HydrophobicContact CB-CB 4.36Å; Q227-L245 PolarHBondContact N-O 3.3Å; Q227-L245 PolarHBondContact O-N 3.01Å; Q227-F247 HydrophobicContact CB-CD2 4.39Å; Q227-F247 HydrophobicContact CB-CE2 3.66Å |
| 228 | R | 73.4 | Confident | 66.4 | Low | 146 Ų | 146 | 67.6 Ų | 67.6 | 55% | 0.551 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.2 | 176.2 | -60.7 | -176.6 | -174.5 | -170.8 | -2.8 | 110.3 | E226 V244 | E226-R228 HydrophobicContact CG-CG 4.48Å; E226-R228 IonicContact OE1-CZ 3.93Å; E226-R228 IonicContact OE1-NE 2.99Å; E226-R228 PolarHBondContact OE1-NE 3.45Å; E226-R228 IonicContact OE1-NH2 3.16Å; E226-R228 PolarHBondContact OE1-NH2 3.42Å; R228-V244 HydrophobicContact CG-CG1 4.49Å; R228-V244 HydrophobicContact CG-CG2 4.49Å |
| 229 | T | 73 | Confident | 65.5 | Low | 40 Ų | 40 | 68.4 Ų | 68.4 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 168.9 | 167.9 | 60.1 | 0 | 0 | 0 | 0 | 111 | R242 L243 L245 | T229-R242 VanDerWaalsContact O-CZ 3.23Å; T229-R242 PolarHBondContact O-NE 3.25Å; T229-R242 PolarHBondContact O-NH2 2.88Å; T229-L243 HydrophobicContact CG2-CB 3.97Å; T229-L243 PolarHBondContact N-O 2.95Å; T229-L243 WeakPolarHBondContact OG1-CA 3.33Å; T229-L243 WeakPolarHBondContact OG1-CB 3.44Å; T229-L243 PolarHBondContact OG1-N 2.94Å; T229-L243 PolarHBondContact OG1-O 3.18Å; T229-L245 HydrophobicContact CG2-CD1 4.16Å; T229-L245 HydrophobicContact CG2-CG 4.46Å |
| 230 | N | 74.2 | Confident | 65.2 | Low | 142 Ų | 142 | 67.7 Ų | 67.7 | 76% | 0.759 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 149.6 | 172.4 | -68.9 | -22.6 | 0 | 0 | 0 | 110.8 | ||
| 231 | C | 75 | Confident | 65.3 | Low | 9 Ų | 9 | 60.9 Ų | 60.9 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 138 | 171.8 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | C268 E269 E272 A273 | C231-C268 VanDerWaalsContact CA-SG 3.57Å; C231-C268 HydrophobicContact CB-CB 3.88Å; C231-C268 WeakPolarHBondContact CB-SG 3.27Å; C231-C268 WeakPolarHBondContact SG-CB 3.35Å; C231-C268 CovalentContact SG-SG 2.02Å; C231-C268 PolarHBondContact SG-SG 2.71Å; C231-E269 PolarHBondContact SG-O 2.93Å; C231-E269 VanDerWaalsContact SG-O 3.35Å; C231-E272 HydrophobicContact CB-CB 3.71Å; C231-A273 HydrophobicContact CB-CB 4Å; C231-A273 VanDerWaalsContact O-CA 3.23Å; C231-A273 WeakPolarHBondContact O-CA 3.38Å; C231-A273 VanDerWaalsContact O-CB 3.23Å; C231-A273 WeakPolarHBondContact O-CB 2.96Å |
| 232 | Y | 69.9 | Low | 66 | Low | 86 Ų | 86 | 57.3 Ų | 57.3 | 34% | 0.337 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 158.1 | 173.9 | 66.8 | -88.3 | 0 | 0 | 0 | 109.9 | D234 C240 T241 | Y232-D234 HydrophobicContact CE2-CB 4.1Å; Y232-C240 CarbonylContact O-C 3.54Å; Y232-C240 VanDerWaalsContact O-CA 3.24Å; Y232-C240 WeakPolarHBondContact O-CA 3.45Å; Y232-T241 WeakPolarHBondContact CD1-O 3.43Å; Y232-T241 PolarHBondContact N-O 3.29Å; Y232-T241 PolarHBondContact O-N 3.4Å |
| 233 | Y | 66 | Low | 66.2 | Low | 62 Ų | 62 | 58.2 Ų | 58.2 | 24% | 0.243 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 118.2 | 175.3 | -179.3 | -101.1 | 0 | 0 | 0 | 110.2 | S235 A323 | Y233-S235 PolarHBondContact O-N 3.04Å; Y233-A323 HydrophobicContact CD1-CB 4.33Å; Y233-A323 HydrophobicContact CD2-CB 4.47Å; Y233-A323 HydrophobicContact CG-CB 3.8Å |
| 234 | D | 62.4 | Low | 66.7 | Low | 40 Ų | 40 | 51.1 Ų | 51.1 | 21% | 0.214 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 107.2 | 171.9 | 168.9 | 22.5 | 0 | 0 | 0 | 109.1 | Y232 I236 S237 G238 S239 | Y232-D234 HydrophobicContact CE2-CB 4.1Å; D234-I236 PolarHBondContact O-N 3.29Å; D234-I236 WeakPolarHBondContact OD1-CB 3.32Å; D234-I236 PolarHBondContact OD1-N 2.76Å; D234-S237 WeakPolarHBondContact CB-OG 3.5Å; D234-S237 VanDerWaalsContact CG-OG 3.28Å; D234-S237 PolarHBondContact O-N 3.46Å; D234-S237 PolarHBondContact O-OG 3.17Å; D234-S237 WeakPolarHBondContact OD2-CB 3.32Å; D234-S237 PolarHBondContact OD2-N 3.06Å; D234-S237 VanDerWaalsContact OD2-N 3.13Å; D234-S237 PolarHBondContact OD2-OG 3.23Å; D234-G238 WeakPolarHBondContact O-CA 3.29Å; D234-G238 PolarHBondContact O-N 2.95Å; D234-S239 PolarHBondContact N-O 3.45Å; D234-S239 PolarHBondContact O-N 3.49Å |
| 235 | S | 54.9 | Low | 66.8 | Low | 84 Ų | 84 | 52.2 Ų | 52.2 | 59% | 0.587 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -23.9 | 178.6 | 66.4 | 0 | 0 | 0 | 0 | 113.8 | Y233 | Y233-S235 PolarHBondContact O-N 3.04Š|
| 236 | I | 51.5 | Low | 67.1 | Low | 100 Ų | 100 | 51.4 Ų | 51.4 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -46.2 | -176.5 | -56.5 | 169.1 | 0 | 0 | 0 | 110.5 | P99 D234 G238 | P99-I236 HydrophobicContact CB-CG2 3.67Å; D234-I236 PolarHBondContact O-N 3.29Å; D234-I236 WeakPolarHBondContact OD1-CB 3.32Å; D234-I236 PolarHBondContact OD1-N 2.76Å; I236-G238 VanDerWaalsContact C-N 3.3Å |
| 237 | S | 56.3 | Low | 66.7 | Low | 51 Ų | 51 | 54.9 Ų | 54.9 | 36% | 0.357 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -20.8 | 172.2 | 64.1 | 0 | 0 | 0 | 0 | 113.2 | D234 S239 | D234-S237 WeakPolarHBondContact CB-OG 3.5Å; D234-S237 VanDerWaalsContact CG-OG 3.28Å; D234-S237 PolarHBondContact O-N 3.46Å; D234-S237 PolarHBondContact O-OG 3.17Å; D234-S237 WeakPolarHBondContact OD2-CB 3.32Å; D234-S237 PolarHBondContact OD2-N 3.06Å; D234-S237 VanDerWaalsContact OD2-N 3.13Å; D234-S237 PolarHBondContact OD2-OG 3.23Å; S237-S239 VanDerWaalsContact C-N 3.26Å; S237-S239 PolarHBondContact OG-N 3.09Å; S237-S239 PolarHBondContact OG-OG 2.97Å |
| 238 | G | 58.7 | Low | 66.2 | Low | 42 Ų | 42 | 54 Ų | 54 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 24.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D234 I236 | D234-G238 WeakPolarHBondContact O-CA 3.29Å; D234-G238 PolarHBondContact O-N 2.95Å; I236-G238 VanDerWaalsContact C-N 3.3Å |
| 239 | S | 62.2 | Low | 65 | Low | 32 Ų | 32 | 53.6 Ų | 53.6 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 158.4 | -174.5 | 68.3 | 0 | 0 | 0 | 0 | 111.7 | D234 S237 | D234-S239 PolarHBondContact N-O 3.45Å; D234-S239 PolarHBondContact O-N 3.49Å; S237-S239 VanDerWaalsContact C-N 3.26Å; S237-S239 PolarHBondContact OG-N 3.09Å; S237-S239 PolarHBondContact OG-OG 2.97Å |
| 240 | C | 68.8 | Low | 63.7 | Low | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.027 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 130.1 | 173.3 | -64.8 | 0 | 0 | 0 | 0 | 111.2 | Y232 A267 C268 C270 | Y232-C240 CarbonylContact O-C 3.54Å; Y232-C240 VanDerWaalsContact O-CA 3.24Å; Y232-C240 WeakPolarHBondContact O-CA 3.45Å; C240-A267 WeakPolarHBondContact O-CA 3.18Å; C240-C268 VanDerWaalsContact C-SG 3.57Å; C240-C268 PolarHBondContact O-N 3.34Å; C240-C270 HydrophobicContact CB-CB 3.96Å; C240-C270 WeakPolarHBondContact CB-SG 3.14Å; C240-C270 WeakPolarHBondContact SG-CA 3.31Å; C240-C270 WeakPolarHBondContact SG-CB 3.39Å; C240-C270 CovalentContact SG-SG 2.02Å; C240-C270 PolarHBondContact SG-SG 2.89Å |
| 241 | T | 72.1 | Confident | 62.3 | Low | 12 Ų | 12 | 58.6 Ų | 58.6 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 157.1 | -176 | 64.1 | 0 | 0 | 0 | 0 | 110.7 | Y232 T265 T266 C268 | Y232-T241 WeakPolarHBondContact CD1-O 3.43Å; Y232-T241 PolarHBondContact N-O 3.29Å; Y232-T241 PolarHBondContact O-N 3.4Å; T241-T265 HydrophobicContact CG2-CG2 4.09Å; T241-T266 CarbonylContact C-O 3.6Å; T241-T266 VanDerWaalsContact CA-O 3.23Å; T241-T266 WeakPolarHBondContact CA-O 3.45Å; T241-C268 VanDerWaalsContact CA-SG 3.56Å; T241-C268 PolarHBondContact N-SG 2.85Å; T241-C268 PolarHBondContact O-SG 3.45Å |
| 242 | R | 79.4 | Confident | 60.8 | Low | 41 Ų | 41 | 62.3 Ų | 62.3 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 146.7 | 169.1 | 79 | -168.2 | -51.2 | 161.8 | 2.6 | 109.6 | T229 V244 T266 E272 | T229-R242 VanDerWaalsContact O-CZ 3.23Å; T229-R242 PolarHBondContact O-NE 3.25Å; T229-R242 PolarHBondContact O-NH2 2.88Å; R242-V244 HydrophobicContact CG-CG2 4.44Å; R242-T266 HydrophobicContact CG-CG2 3.74Å; R242-T266 PolarHBondContact N-O 3.49Å; R242-T266 PolarHBondContact O-N 2.98Å; R242-E272 IonicContact CZ-OE2 2.69Å; R242-E272 IonicContact NH1-OE2 3.49Å; R242-E272 PolarHBondContact NH1-OE2 2.84Å |
| 243 | L | 70.8 | Confident | 59.4 | Low | 20 Ų | 20 | 66.8 Ų | 66.8 | 11% | 0.105 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 130.5 | 170 | -170.8 | 67.6 | 0 | 0 | 0 | 109.1 | T18 T229 L245 | T18-L243 WeakPolarHBondContact OG1-CD1 3.27Å; T229-L243 HydrophobicContact CG2-CB 3.97Å; T229-L243 PolarHBondContact N-O 2.95Å; T229-L243 WeakPolarHBondContact OG1-CA 3.33Å; T229-L243 WeakPolarHBondContact OG1-CB 3.44Å; T229-L243 PolarHBondContact OG1-N 2.94Å; T229-L243 PolarHBondContact OG1-O 3.18Å; L243-L245 HydrophobicContact CD2-CD2 3.47Å; L243-L245 VanDerWaalsContact CD2-CD2 3.47Å; L243-L245 HydrophobicContact CD2-CG 4.18Å; L243-L245 HydrophobicContact CG-CD2 3.85Å; L243-L245 HydrophobicContact CG-CG 4.3Å |
| 244 | V | 69.8 | Low | 58.3 | Low | 4 Ų | 4 | 71 Ų | 71 | 2% | 0.024 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 115.5 | 169.3 | -171.8 | 0 | 0 | 0 | 0 | 107.2 | E226 R228 R242 Y246 S263 H264 T266 | E226-V244 HydrophobicContact CG-CG1 3.38Å; R228-V244 HydrophobicContact CG-CG1 4.49Å; R228-V244 HydrophobicContact CG-CG2 4.49Å; R242-V244 HydrophobicContact CG-CG2 4.44Å; V244-Y246 HydrophobicContact CB-CE2 4.11Å; V244-Y246 HydrophobicContact CG1-CE1 3.91Å; V244-Y246 HydrophobicContact CG1-CE2 3.75Å; V244-Y246 VanDerWaalsContact CG1-CZ 3.41Å; V244-Y246 WeakPolarHBondContact CG1-OH 3.36Å; V244-S263 CarbonylContact O-C 3.53Å; V244-S263 WeakPolarHBondContact O-CA 3.32Å; V244-S263 VanDerWaalsContact O-CB 3.25Å; V244-S263 WeakPolarHBondContact O-CB 3.34Å; V244-H264 PolarHBondContact N-O 2.9Å; V244-H264 PolarHBondContact O-N 2.94Å; V244-T266 HydrophobicContact CG2-CG2 3.88Å |
| 245 | L | 68 | Low | 57.1 | Low | 44 Ų | 44 | 78.3 Ų | 78.3 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 138.3 | 179.4 | -60.6 | 172 | 0 | 0 | 0 | 109 | Q227 T229 L243 F247 | Q227-L245 HydrophobicContact CB-CB 4.36Å; Q227-L245 PolarHBondContact N-O 3.3Å; Q227-L245 PolarHBondContact O-N 3.01Å; T229-L245 HydrophobicContact CG2-CD1 4.16Å; T229-L245 HydrophobicContact CG2-CG 4.46Å; L243-L245 HydrophobicContact CD2-CD2 3.47Å; L243-L245 VanDerWaalsContact CD2-CD2 3.47Å; L243-L245 HydrophobicContact CD2-CG 4.18Å; L243-L245 HydrophobicContact CG-CD2 3.85Å; L243-L245 HydrophobicContact CG-CG 4.3Å; L245-F247 HydrophobicContact CB-CE2 4.05Å; L245-F247 HydrophobicContact CB-CZ 4.23Å |
| 246 | Y | 65.4 | Low | 56.4 | Low | 14 Ų | 14 | 82.2 Ų | 82.2 | 6% | 0.055 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126 | 179.6 | -64.2 | -73.5 | 0 | 0 | 0 | 110.8 | P9 F10 Y224 L225 E226 V244 E262 H264 | P9-Y246 HydrophobicContact CB-CE1 4.49Å; P9-Y246 HydrophobicContact CG-CE1 3.63Å; F10-Y246 HydrophobicContact CE1-CE2 4.18Å; F10-Y246 HydrophobicContact CE2-CD1 4.47Å; F10-Y246 AromaticContact CE2-CD2 3.78Å; F10-Y246 HydrophobicContact CE2-CD2 3.78Å; F10-Y246 HydrophobicContact CE2-CE1 4.2Å; F10-Y246 AromaticContact CE2-CE2 3.54Å; F10-Y246 HydrophobicContact CE2-CE2 3.54Å; F10-Y246 HydrophobicContact CE2-CG 4.24Å; F10-Y246 AromaticContact CE2-CZ 3.67Å; F10-Y246 AromaticContact CZ-CD2 3.75Å; F10-Y246 HydrophobicContact CZ-CD2 3.75Å; F10-Y246 HydrophobicContact CZ-CE1 4.35Å; F10-Y246 AromaticContact CZ-CE2 3.11Å; F10-Y246 HydrophobicContact CZ-CE2 3.11Å; F10-Y246 AromaticContact CZ-CZ 3.4Å; Y224-Y246 VanDerWaalsContact CD1-CB 3.5Å; Y224-Y246 HydrophobicContact CD1-CG 4.33Å; Y224-Y246 HydrophobicContact CD2-CD1 4.49Å; Y224-Y246 AromaticContact CG-CD1 3.98Å; Y224-Y246 HydrophobicContact CG-CD1 3.98Å; Y224-Y246 HydrophobicContact CG-CG 4.11Å; L225-Y246 WeakPolarHBondContact O-CA 3.43Å; E226-Y246 HydrophobicContact CB-CD1 4.38Å; E226-Y246 HydrophobicContact CB-CE1 4.12Å; E226-Y246 HydrophobicContact CG-CD1 4.45Å; E226-Y246 HydrophobicContact CG-CE1 3.87Å; V244-Y246 HydrophobicContact CB-CE2 4.11Å; V244-Y246 HydrophobicContact CG1-CE1 3.91Å; V244-Y246 HydrophobicContact CG1-CE2 3.75Å; V244-Y246 VanDerWaalsContact CG1-CZ 3.41Å; V244-Y246 WeakPolarHBondContact CG1-OH 3.36Å; Y246-E262 PolarHBondContact N-O 3.05Å; Y246-H264 AromaticContact CE2-ND1 3.31Å; Y246-H264 VanDerWaalsContact CE2-ND1 3.31Å; Y246-H264 WeakPolarHBondContact CE2-ND1 3.31Å; Y246-H264 AromaticContact CZ-CE1 3.9Å; Y246-H264 AromaticContact CZ-ND1 3.61Å; Y246-H264 PolarHBondContact OH-CE1 2.71Å; Y246-H264 PolarHBondContact OH-ND1 3.16Å |
| 247 | F | 61.7 | Low | 55.9 | Low | 98 Ų | 98 | 78.8 Ų | 78.8 | 43% | 0.43 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 121.9 | 175.8 | -56.2 | -86.2 | 0 | 0 | 0 | 108.6 | L225 Q227 L245 E249 | L225-F247 HydrophobicContact CB-CB 4.37Å; L225-F247 PolarHBondContact N-O 3.42Å; L225-F247 VanDerWaalsContact N-O 3.09Å; L225-F247 PolarHBondContact O-N 2.81Å; Q227-F247 HydrophobicContact CB-CD2 4.39Å; Q227-F247 HydrophobicContact CB-CE2 3.66Å; L245-F247 HydrophobicContact CB-CE2 4.05Å; L245-F247 HydrophobicContact CB-CZ 4.23Å; F247-E249 PolarHBondContact O-N 3.07Å |
| 248 | I | 57.1 | Low | 55.6 | Low | 62 Ų | 62 | 84.1 Ų | 84.1 | 32% | 0.318 | 42% | 0.421 | S | S | . | . | trans | -72.3 | 114.8 | 177.5 | -63 | 166.8 | 0 | 0 | 0 | 107.9 | Y224 Y251 | Y224-I248 HydrophobicContact CD1-CG1 3.88Å; Y224-I248 HydrophobicContact CE1-CD1 4.2Å; Y224-I248 HydrophobicContact CE1-CG1 3.38Å; I248-Y251 HydrophobicContact CD1-CE1 3.88Å; I248-Y251 HydrophobicContact CG2-CD1 4.13Å; I248-Y251 HydrophobicContact CG2-CD2 4.05Å; I248-Y251 HydrophobicContact CG2-CE1 4.02Å; I248-Y251 HydrophobicContact CG2-CE2 3.93Å; I248-Y251 HydrophobicContact CG2-CG 4.15Å | ||
| 249 | E | 48.2 | Very low | 55.6 | Low | 138 Ų | 138 | 86.6 Ų | 86.6 | 65% | 0.645 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -89.2 | -36.9 | 177.6 | -163.3 | 174 | -156.4 | 0 | 0 | 111.7 | L225 F247 | L225-E249 HydrophobicContact CD1-CB 4.03Å; L225-E249 HydrophobicContact CD1-CG 3.99Å; L225-E249 HydrophobicContact CG-CB 4.14Å; L225-E249 HydrophobicContact CG-CG 4.48Å; F247-E249 PolarHBondContact O-N 3.07Å |
| 250 | V | 44.5 | Very low | 55.7 | Low | 113 Ų | 113 | 85.8 Ų | 85.8 | 69% | 0.685 | 41% | 0.412 | S | S | * | . | trans | -140.9 | 124.5 | 179.9 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 251 | Y | 46.1 | Very low | 55.6 | Low | 174 Ų | 174 | 85.8 Ų | 85.8 | 68% | 0.682 | 41% | 0.412 | S | S | * | . | trans | -77.7 | 128.6 | 169.1 | -73 | -85.4 | 0 | 0 | 0 | 109 | I248 | I248-Y251 HydrophobicContact CD1-CE1 3.88Å; I248-Y251 HydrophobicContact CG2-CD1 4.13Å; I248-Y251 HydrophobicContact CG2-CD2 4.05Å; I248-Y251 HydrophobicContact CG2-CE1 4.02Å; I248-Y251 HydrophobicContact CG2-CE2 3.93Å; I248-Y251 HydrophobicContact CG2-CG 4.15Å | ||
| 252 | P | 43.5 | Very low | 55.2 | Low | 88 Ų | 88 | 89.9 Ų | 89.9 | 57% | 0.571 | 43% | 0.43 | S | S | * | . | trans | -64.6 | 141.4 | 170 | 24.2 | -29.9 | 0 | 0 | 0 | 110.3 | E254 | P252-E254 PolarHBondContact O-N 3.46Š| ||
| 253 | D | 39.7 | Very low | 54.6 | Low | 179 Ų | 179 | 88.4 Ų | 88.4 | 96% | 0.957 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -63.3 | 4.5 | -170.5 | -83.6 | -36.6 | 0 | 0 | 0 | 116.3 | ||
| 254 | E | 42.6 | Very low | 54.6 | Low | 150 Ų | 150 | 88.8 Ų | 88.8 | 70% | 0.701 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -101.9 | 140.1 | -174.4 | -75 | -168.3 | 158.3 | 0 | 0 | 114.7 | P252 R258 | P252-E254 PolarHBondContact O-N 3.46Å; E254-R258 IonicContact OE2-NH2 3.58Å; E254-R258 PolarHBondContact OE2-NH2 3.38Å |
| 255 | K | 37.4 | Very low | 54.5 | Low | 194 Ų | 194 | 90.1 Ų | 90.1 | 84% | 0.843 | 44% | 0.435 | S | S | * | . | trans | -44.4 | 134.6 | -174.7 | -68.9 | 175 | 174.8 | 178.5 | 0 | 114.2 | ||||
| 256 | E | 39.6 | Very low | 54.8 | Low | 167 Ų | 167 | 90.7 Ų | 90.7 | 78% | 0.78 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 41 | 100.3 | 147.6 | -61.1 | -173.7 | 152.8 | 0 | 0 | 116.4 | ||
| 257 | G | 41.2 | Very low | 55.1 | Low | 28 Ų | 28 | 93.8 Ų | 93.8 | 29% | 0.289 | 47% | 0.469 | S | S | . | . | trans | 110.5 | 65.3 | 156.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | K75 | K75-G257 WeakPolarHBondContact O-CA 3.31Š| ||
| 258 | R | 50.6 | Low | 55.6 | Low | 162 Ų | 162 | 90.2 Ų | 90.2 | 61% | 0.611 | 46% | 0.456 | S | S | * | . | trans | -137.3 | 110.3 | 162.3 | -63 | -172.4 | -167.4 | -178.3 | 10.1 | 109.2 | E254 | E254-R258 IonicContact OE2-NH2 3.58Å; E254-R258 PolarHBondContact OE2-NH2 3.38Å | ||
| 259 | R | 59 | Low | 56.4 | Low | 95 Ų | 95 | 93.7 Ų | 93.7 | 36% | 0.358 | 47% | 0.471 | S | S | . | . | trans | -109 | 90.8 | 160.2 | -65.6 | -173.6 | -166.2 | -144.4 | -0.9 | 106.7 | Y219 | Y219-R259 WeakPolarHBondContact CE1-O 3.36Š| ||
| 260 | C | 64.2 | Low | 57.3 | Low | 15 Ų | 15 | 87.6 Ų | 87.6 | 10% | 0.101 | 44% | 0.443 | C | S | . | . | trans | -59.9 | 143.9 | 147.1 | -36.7 | 0 | 0 | 0 | 0 | 105.8 | F10 C222 Y224 E262 | F10-C260 HydrophobicContact CD2-CB 4.21Å; C222-C260 WeakPolarHBondContact CA-SG 3.41Å; C222-C260 HydrophobicContact CB-CB 3.58Å; C222-C260 WeakPolarHBondContact CB-SG 3.42Å; C222-C260 WeakPolarHBondContact SG-CB 3.46Å; C222-C260 CovalentContact SG-SG 2.01Å; C222-C260 PolarHBondContact SG-SG 3.04Å; Y224-C260 HydrophobicContact CE2-CB 3.46Å; Y224-C260 VanDerWaalsContact CE2-CB 3.46Å; Y224-C260 VanDerWaalsContact CZ-CB 3.44Å; Y224-C260 WeakPolarHBondContact OH-CB 3.4Å; Y224-C260 PolarHBondContact OH-SG 3.09Å; C260-E262 PolarHBondContact O-N 2.98Å | ||
| 261 | P | 65.9 | Low | 58.2 | Low | 4 Ų | 4 | 84.8 Ų | 84.8 | 3% | 0.026 | 43% | 0.426 | C | S | . | . | trans | -63.8 | 135.9 | -167.8 | 29.4 | -39 | 0 | 0 | 0 | 110.3 | F10 P15 E17 S263 | F10-P261 HydrophobicContact CD1-CG 4.49Å; F10-P261 HydrophobicContact CD2-CG 4.24Å; F10-P261 HydrophobicContact CE1-CG 4.01Å; F10-P261 HydrophobicContact CE2-CG 3.72Å; F10-P261 HydrophobicContact CZ-CG 3.54Å; P15-P261 HydrophobicContact CB-CG 4.42Å; P15-P261 HydrophobicContact CG-CG 3.56Å; E17-P261 HydrophobicContact CG-CB 3.79Å; P261-S263 PolarHBondContact O-N 2.8Å | ||
| 262 | E | 64.6 | Low | 59 | Low | 97 Ų | 97 | 81.5 Ų | 81.5 | 45% | 0.453 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -64.5 | -23.2 | 178 | -66.5 | 176.7 | -171.3 | 0 | 0 | 111.3 | Y246 C260 | Y246-E262 PolarHBondContact N-O 3.05Å; C260-E262 PolarHBondContact O-N 2.98Å |
| 263 | S | 66.6 | Low | 59.6 | Low | 10 Ų | 10 | 78.4 Ų | 78.4 | 7% | 0.07 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 158.6 | 172.1 | 54 | 0 | 0 | 0 | 0 | 112.5 | T18 V244 P261 | T18-S263 PolarHBondContact O-OG 2Å; V244-S263 CarbonylContact O-C 3.53Å; V244-S263 WeakPolarHBondContact O-CA 3.32Å; V244-S263 VanDerWaalsContact O-CB 3.25Å; V244-S263 WeakPolarHBondContact O-CB 3.34Å; P261-S263 PolarHBondContact O-N 2.8Å |
| 264 | H | 70.5 | Confident | 60.3 | Low | 28 Ų | 28 | 70.5 Ų | 70.5 | 13% | 0.13 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 154.6 | 171.4 | 83.2 | -93.6 | 0 | 0 | 0 | 110.9 | F10 P15 H16 V244 Y246 | F10-H264 HydrophobicContact CE1-CB 4.37Å; F10-H264 AromaticContact CE1-ND1 3.48Å; F10-H264 WeakPolarHBondContact CE1-ND1 3.25Å; F10-H264 HydrophobicContact CZ-CB 4.45Å; F10-H264 AromaticContact CZ-ND1 3.53Å; P15-H264 HydrophobicContact CB-CB 3.98Å; H16-H264 WeakPolarHBondContact O-CA 3.29Å; H16-H264 WeakPolarHBondContact O-CB 2.9Å; V244-H264 PolarHBondContact N-O 2.9Å; V244-H264 PolarHBondContact O-N 2.94Å; Y246-H264 AromaticContact CE2-ND1 3.31Å; Y246-H264 VanDerWaalsContact CE2-ND1 3.31Å; Y246-H264 WeakPolarHBondContact CE2-ND1 3.31Å; Y246-H264 AromaticContact CZ-CE1 3.9Å; Y246-H264 AromaticContact CZ-ND1 3.61Å; Y246-H264 PolarHBondContact OH-CE1 2.71Å; Y246-H264 PolarHBondContact OH-ND1 3.16Å |
| 265 | T | 68.7 | Low | 61 | Low | 32 Ų | 32 | 67.5 Ų | 67.5 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 131 | 173.1 | -59.5 | 0 | 0 | 0 | 0 | 110.4 | H16 T18 T241 | H16-T265 PolarHBondContact O-N 2.85Å; T18-T265 WeakPolarHBondContact CG2-OG1 3.26Å; T18-T265 PolarHBondContact OG1-OG1 3.37Å; T241-T265 HydrophobicContact CG2-CG2 4.09Å |
| 266 | T | 73.2 | Confident | 61.6 | Low | 57 Ų | 57 | 63.9 Ų | 63.9 | 35% | 0.35 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 156.6 | 177.7 | -169 | 0 | 0 | 0 | 0 | 111.4 | T241 R242 V244 | T241-T266 CarbonylContact C-O 3.6Å; T241-T266 VanDerWaalsContact CA-O 3.23Å; T241-T266 WeakPolarHBondContact CA-O 3.45Å; R242-T266 HydrophobicContact CG-CG2 3.74Å; R242-T266 PolarHBondContact N-O 3.49Å; R242-T266 PolarHBondContact O-N 2.98Å; V244-T266 HydrophobicContact CG2-CG2 3.88Å |
| 267 | A | 71.3 | Confident | 62.1 | Low | 79 Ų | 79 | 61.8 Ų | 61.8 | 65% | 0.653 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 143.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | C240 | C240-A267 WeakPolarHBondContact O-CA 3.18Å |
| 268 | C | 73.1 | Confident | 62.5 | Low | 23 Ų | 23 | 63.4 Ų | 63.4 | 16% | 0.155 | 33% | 0.326 | C | S | . | . | trans | -133.6 | 163.4 | 172.1 | 50 | 0 | 0 | 0 | 0 | 110.2 | C231 C240 T241 C270 | C231-C268 VanDerWaalsContact CA-SG 3.57Å; C231-C268 HydrophobicContact CB-CB 3.88Å; C231-C268 WeakPolarHBondContact CB-SG 3.27Å; C231-C268 WeakPolarHBondContact SG-CB 3.35Å; C231-C268 CovalentContact SG-SG 2.02Å; C231-C268 PolarHBondContact SG-SG 2.71Å; C240-C268 VanDerWaalsContact C-SG 3.57Å; C240-C268 PolarHBondContact O-N 3.34Å; T241-C268 VanDerWaalsContact CA-SG 3.56Å; T241-C268 PolarHBondContact N-SG 2.85Å; T241-C268 PolarHBondContact O-SG 3.45Å; C268-C270 PolarHBondContact O-N 3.4Å | ||
| 269 | E | 73.6 | Confident | 62.2 | Low | 134 Ų | 134 | 56.2 Ų | 56.2 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | trans | -71.9 | 130.5 | 175.1 | -61.2 | -166 | 162.2 | 0 | 0 | 109.7 | C231 T271 E272 | C231-E269 PolarHBondContact SG-O 2.93Å; C231-E269 VanDerWaalsContact SG-O 3.35Å; E269-T271 WeakPolarHBondContact CB-OG1 3.27Å; E269-T271 PolarHBondContact O-N 2.93Å; E269-T271 VanDerWaalsContact O-N 3.09Å; E269-E272 HydrophobicContact CB-CG 4.48Å; E269-E272 VanDerWaalsContact O-CB 3.29Å; E269-E272 WeakPolarHBondContact O-CB 3.44Å; E269-E272 PolarHBondContact O-N 3.45Å | ||
| 270 | C | 66.5 | Low | 61.5 | Low | 10 Ų | 10 | 56.2 Ų | 56.2 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -21 | -179.7 | -70.4 | 0 | 0 | 0 | 0 | 113.9 | C240 C268 E272 A273 I274 | C240-C270 HydrophobicContact CB-CB 3.96Å; C240-C270 WeakPolarHBondContact CB-SG 3.14Å; C240-C270 WeakPolarHBondContact SG-CA 3.31Å; C240-C270 WeakPolarHBondContact SG-CB 3.39Å; C240-C270 CovalentContact SG-SG 2.02Å; C240-C270 PolarHBondContact SG-SG 2.89Å; C268-C270 PolarHBondContact O-N 3.4Å; C270-E272 PolarHBondContact O-N 3.14Å; C270-A273 WeakPolarHBondContact O-CB 3.43Å; C270-A273 PolarHBondContact O-N 2.97Å; C270-I274 WeakPolarHBondContact O-CD1 3.35Å; C270-I274 WeakPolarHBondContact O-CG1 3.39Å; C270-I274 PolarHBondContact O-N 3.04Å |
| 271 | T | 64.6 | Low | 60.9 | Low | 54 Ų | 54 | 63.4 Ų | 63.4 | 33% | 0.331 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.1 | -29.9 | 169.8 | 46.2 | 0 | 0 | 0 | 0 | 112.3 | E269 F293 | E269-T271 WeakPolarHBondContact CB-OG1 3.27Å; E269-T271 PolarHBondContact O-N 2.93Å; E269-T271 VanDerWaalsContact O-N 3.09Å; T271-F293 HydrophobicContact CG2-CB 4.46Å |
| 272 | E | 62 | Low | 60.1 | Low | 105 Ų | 105 | 69.9 Ų | 69.9 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.4 | -24.4 | 173.8 | -62.2 | -177.5 | -161.9 | 0 | 0 | 113 | C231 R242 E269 C270 | C231-E272 HydrophobicContact CB-CB 3.71Å; R242-E272 IonicContact CZ-OE2 2.69Å; R242-E272 IonicContact NH1-OE2 3.49Å; R242-E272 PolarHBondContact NH1-OE2 2.84Å; E269-E272 HydrophobicContact CB-CG 4.48Å; E269-E272 VanDerWaalsContact O-CB 3.29Å; E269-E272 WeakPolarHBondContact O-CB 3.44Å; E269-E272 PolarHBondContact O-N 3.45Å; C270-E272 PolarHBondContact O-N 3.14Å |
| 273 | A | 56 | Low | 59.6 | Low | 23 Ų | 23 | 69.7 Ų | 69.7 | 19% | 0.19 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -84.4 | -15.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | C231 C270 | C231-A273 HydrophobicContact CB-CB 4Å; C231-A273 VanDerWaalsContact O-CA 3.23Å; C231-A273 WeakPolarHBondContact O-CA 3.38Å; C231-A273 VanDerWaalsContact O-CB 3.23Å; C231-A273 WeakPolarHBondContact O-CB 2.96Å; C270-A273 WeakPolarHBondContact O-CB 3.43Å; C270-A273 PolarHBondContact O-N 2.97Å |
| 274 | I | 55.9 | Low | 59.1 | Low | 14 Ų | 14 | 77 Ų | 77 | 7% | 0.072 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -90.4 | 115 | -174.1 | -71.3 | 165.6 | 0 | 0 | 0 | 109 | C270 Y276 L279 F293 | C270-I274 WeakPolarHBondContact O-CD1 3.35Å; C270-I274 WeakPolarHBondContact O-CG1 3.39Å; C270-I274 PolarHBondContact O-N 3.04Å; I274-Y276 PolarHBondContact O-N 3.23Å; I274-L279 HydrophobicContact CB-CD1 4.38Å; I274-L279 HydrophobicContact CG1-CD1 4.24Å; I274-L279 HydrophobicContact CG2-CB 4.36Å; I274-L279 HydrophobicContact CG2-CD1 3.41Å; I274-L279 VanDerWaalsContact CG2-CD1 3.41Å; I274-L279 HydrophobicContact CG2-CG 4.49Å; I274-F293 HydrophobicContact CD1-CD1 3.98Å; I274-F293 HydrophobicContact CD1-CE1 3.91Å; I274-F293 HydrophobicContact CG2-CE1 4.12Å |
| 275 | D | 57.2 | Low | 58.5 | Low | 86 Ų | 86 | 76.5 Ų | 76.5 | 46% | 0.46 | 39% | 0.393 | S | S | . | . | trans | -68.5 | 103.1 | 161.8 | -173.6 | -7.9 | 0 | 0 | 0 | 108.6 | N277 T278 L279 | D275-N277 PolarHBondContact O-N 2.84Å; D275-N277 PolarHBondContact OD1-N 3.37Å; D275-T278 PolarHBondContact O-N 2.95Å; D275-T278 PolarHBondContact OD2-OG1 3.34Å; D275-L279 PolarHBondContact O-N 3.19Å | ||
| 276 | Y | 48.8 | Very low | 57.9 | Low | 118 Ų | 118 | 80.3 Ų | 80.3 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -52.8 | -36.6 | -176.5 | -115.6 | -91.3 | 0 | 0 | 0 | 112.7 | I274 M280 F293 | I274-Y276 PolarHBondContact O-N 3.23Å; Y276-M280 VanDerWaalsContact O-CG 3.32Å; Y276-M280 WeakPolarHBondContact O-CG 3.35Å; Y276-M280 PolarHBondContact O-N 2.97Å; Y276-M280 VanDerWaalsContact O-N 3.12Å; Y276-F293 AromaticContact CE1-CE2 3.83Å; Y276-F293 HydrophobicContact CE1-CE2 3.83Å; Y276-F293 AromaticContact CE1-CZ 3.96Å; Y276-F293 HydrophobicContact CE1-CZ 3.96Å; Y276-F293 HydrophobicContact CE2-CE2 4.44Å; Y276-F293 HydrophobicContact CE2-CZ 4.28Å; Y276-F293 AromaticContact CZ-CE2 3.62Å; Y276-F293 AromaticContact CZ-CZ 3.82Å; Y276-F293 VanDerWaalsContact OH-CE2 3.31Å; Y276-F293 WeakPolarHBondContact OH-CE2 3.48Å |
| 277 | N | 50.9 | Low | 57.2 | Low | 123 Ų | 123 | 82.1 Ų | 82.1 | 66% | 0.658 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -71.4 | -47.4 | -173.2 | -69 | -27.5 | 0 | 0 | 0 | 111.4 | D275 L279 M280 | D275-N277 PolarHBondContact O-N 2.84Å; D275-N277 PolarHBondContact OD1-N 3.37Å; N277-L279 PolarHBondContact O-N 3Å; N277-M280 PolarHBondContact O-N 3.16Å |
| 278 | T | 48.5 | Very low | 56.6 | Low | 63 Ų | 63 | 85.1 Ų | 85.1 | 39% | 0.387 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.6 | -28.8 | -178.7 | -44.2 | 0 | 0 | 0 | 0 | 112.2 | D275 Y324 | D275-T278 PolarHBondContact O-N 2.95Å; D275-T278 PolarHBondContact OD2-OG1 3.34Å; T278-Y324 VanDerWaalsContact CG2-OH 3.22Å; T278-Y324 WeakPolarHBondContact CG2-OH 3.35Å |
| 279 | L | 44.6 | Very low | 56.2 | Low | 10 Ų | 10 | 84.7 Ų | 84.7 | 5% | 0.052 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -86 | -31.1 | -178.9 | -121.3 | 155.2 | 0 | 0 | 0 | 113.4 | I274 D275 N277 E281 Y283 I299 I321 | I274-L279 HydrophobicContact CB-CD1 4.38Å; I274-L279 HydrophobicContact CG1-CD1 4.24Å; I274-L279 HydrophobicContact CG2-CB 4.36Å; I274-L279 HydrophobicContact CG2-CD1 3.41Å; I274-L279 VanDerWaalsContact CG2-CD1 3.41Å; I274-L279 HydrophobicContact CG2-CG 4.49Å; D275-L279 PolarHBondContact O-N 3.19Å; N277-L279 PolarHBondContact O-N 3Å; L279-E281 VanDerWaalsContact C-N 3.32Å; L279-E281 PolarHBondContact O-N 2.78Å; L279-Y283 HydrophobicContact CD2-CD2 3.86Å; L279-Y283 HydrophobicContact CD2-CE2 4.38Å; L279-I299 HydrophobicContact CD1-CD1 4.14Å; L279-I299 HydrophobicContact CD2-CD1 3.45Å; L279-I299 VanDerWaalsContact CD2-CD1 3.45Å; L279-I299 HydrophobicContact CG-CD1 4.36Å; L279-I321 HydrophobicContact CD1-CD1 4.28Å; L279-I321 HydrophobicContact CD1-CG2 4.38Å; L279-I321 HydrophobicContact CD2-CD1 3.66Å |
| 280 | M | 45.6 | Very low | 55.7 | Low | 95 Ų | 95 | 84.5 Ų | 84.5 | 47% | 0.468 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 175.9 | -80.8 | -64.7 | -146.6 | 0 | 0 | 112.1 | Y276 N277 K291 | Y276-M280 VanDerWaalsContact O-CG 3.32Å; Y276-M280 WeakPolarHBondContact O-CG 3.35Å; Y276-M280 PolarHBondContact O-N 2.97Å; Y276-M280 VanDerWaalsContact O-N 3.12Å; N277-M280 PolarHBondContact O-N 3.16Å; M280-K291 PolarHBondContact O-NZ 3.13Å; M280-K291 HydrophobicContact SD-CD 3.86Å |
| 281 | E | 51.7 | Low | 55.6 | Low | 167 Ų | 167 | 86.2 Ų | 86.2 | 78% | 0.78 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -74 | -34.4 | -178.3 | -69.2 | -175.4 | 165.4 | 0 | 0 | 113.8 | L279 | L279-E281 VanDerWaalsContact C-N 3.32Å; L279-E281 PolarHBondContact O-N 2.78Å |
| 282 | K | 49 | Very low | 55.5 | Low | 139 Ų | 139 | 85.3 Ų | 85.3 | 60% | 0.604 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -86.3 | -21.6 | -166.8 | -158.6 | 171.8 | -176.3 | 179.2 | 0 | 114.9 | ||
| 283 | Y | 52.4 | Low | 55.3 | Low | 94 Ų | 94 | 82.5 Ų | 82.5 | 37% | 0.369 | 41% | 0.41 | S | S | . | . | trans | -138.7 | 76.1 | -172.8 | -56.1 | -79.4 | 0 | 0 | 0 | 111.6 | L279 K291 | L279-Y283 HydrophobicContact CD2-CD2 3.86Å; L279-Y283 HydrophobicContact CD2-CE2 4.38Å; Y283-K291 WeakPolarHBondContact O-CE 3.48Å; Y283-K291 PolarHBondContact O-NZ 3.11Å | ||
| 284 | E | 56.7 | Low | 55.3 | Low | 162 Ų | 162 | 86.1 Ų | 86.1 | 76% | 0.757 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 136 | 175.4 | -68.9 | -174.1 | 162.7 | 0 | 0 | 111.7 | ||
| 285 | C | 57.6 | Low | 55.1 | Low | 19 Ų | 19 | 95.5 Ų | 95.5 | 13% | 0.128 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 129.4 | 169.7 | -70.4 | 0 | 0 | 0 | 0 | 109.1 | G289 K291 C301 | C285-G289 WeakPolarHBondContact CB-O 3.48Å; C285-K291 HydrophobicContact CB-CG 4.5Å; C285-K291 WeakPolarHBondContact SG-CG 3.03Å; C285-C301 WeakPolarHBondContact CA-SG 3.24Å; C285-C301 HydrophobicContact CB-CB 3.77Å; C285-C301 WeakPolarHBondContact CB-SG 3.41Å; C285-C301 VanDerWaalsContact SG-CA 3.5Å; C285-C301 WeakPolarHBondContact SG-CB 3.39Å; C285-C301 CovalentContact SG-SG 2.03Å; C285-C301 PolarHBondContact SG-SG 2.88Å |
| 286 | L | 56 | Low | 54.6 | Low | 112 Ų | 112 | 96.3 Ų | 96.3 | 59% | 0.586 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -68.5 | 152.1 | 175 | -63.8 | 174.8 | 0 | 0 | 0 | 110.7 | D288 G289 F317 | L286-D288 PolarHBondContact O-N 3.47Å; L286-G289 PolarHBondContact O-N 3Å; L286-F317 HydrophobicContact CD1-CE1 4.18Å; L286-F317 HydrophobicContact CD1-CZ 3.93Å |
| 287 | N | 60.3 | Low | 54.6 | Low | 95 Ų | 95 | 91.1 Ų | 91.1 | 51% | 0.508 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | 56.7 | 43.8 | 173.5 | -50.5 | -48.7 | 0 | 0 | 0 | 114.3 | G289 | N287-G289 PolarHBondContact O-N 2.88Å; N287-G289 VanDerWaalsContact O-N 3.14Å |
| 288 | D | 58 | Low | 54.7 | Low | 141 Ų | 141 | 85.7 Ų | 85.7 | 75% | 0.754 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | 57.2 | 28.3 | 179.1 | -52.3 | -45 | 0 | 0 | 0 | 113.6 | L286 | L286-D288 PolarHBondContact O-N 3.47Š|
| 289 | G | 63.4 | Low | 54.9 | Low | 14 Ų | 14 | 83.4 Ų | 83.4 | 14% | 0.144 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 140.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | C285 L286 N287 K302 | C285-G289 WeakPolarHBondContact CB-O 3.48Å; L286-G289 PolarHBondContact O-N 3Å; N287-G289 PolarHBondContact O-N 2.88Å; N287-G289 VanDerWaalsContact O-N 3.14Å; G289-K302 CarbonylContact C-O 3.59Å |
| 290 | E | 63.7 | Low | 55.7 | Low | 130 Ų | 130 | 85.2 Ų | 85.2 | 61% | 0.607 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 125 | 176.5 | -170.4 | -177.6 | -178.7 | 0 | 0 | 109.3 | V292 K302 | E290-V292 PolarHBondContact O-N 3.03Å; E290-K302 PolarHBondContact N-O 3.1Å; E290-K302 PolarHBondContact O-N 2.72Å |
| 291 | K | 64.8 | Low | 56.3 | Low | 46 Ų | 46 | 81.6 Ų | 81.6 | 20% | 0.2 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 125.6 | 173.3 | -69.6 | 179.8 | -160.5 | -172.6 | 0 | 109.4 | M280 Y283 C285 I299 | M280-K291 PolarHBondContact O-NZ 3.13Å; M280-K291 HydrophobicContact SD-CD 3.86Å; Y283-K291 WeakPolarHBondContact O-CE 3.48Å; Y283-K291 PolarHBondContact O-NZ 3.11Å; C285-K291 HydrophobicContact CB-CG 4.5Å; C285-K291 WeakPolarHBondContact SG-CG 3.03Å; K291-I299 HydrophobicContact CB-CG2 4.43Å |
| 292 | V | 62.8 | Low | 56.7 | Low | 35 Ų | 35 | 78.4 Ų | 78.4 | 21% | 0.212 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 131.4 | 178.3 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | E290 Y300 K302 | E290-V292 PolarHBondContact O-N 3.03Å; V292-Y300 HydrophobicContact CB-CD1 4.17Å; V292-Y300 HydrophobicContact CB-CE1 3.54Å; V292-Y300 HydrophobicContact CB-CE2 4.31Å; V292-Y300 HydrophobicContact CG1-CE1 3.58Å; V292-Y300 WeakPolarHBondContact CG1-OH 3.42Å; V292-Y300 PolarHBondContact N-O 3.36Å; V292-Y300 WeakPolarHBondContact O-CD1 3.5Å; V292-Y300 PolarHBondContact O-N 3.09Å; V292-Y300 VanDerWaalsContact O-N 3.08Å; V292-K302 HydrophobicContact CG2-CB 3.61Å; V292-K302 HydrophobicContact CG2-CD 4Å; V292-K302 HydrophobicContact CG2-CG 4.48Å |
| 293 | F | 58.2 | Low | 57.1 | Low | 46 Ų | 46 | 73.7 Ų | 73.7 | 20% | 0.202 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 133.7 | 177.1 | -65.7 | -98 | 0 | 0 | 0 | 110.4 | T271 I274 Y276 I299 | T271-F293 HydrophobicContact CG2-CB 4.46Å; I274-F293 HydrophobicContact CD1-CD1 3.98Å; I274-F293 HydrophobicContact CD1-CE1 3.91Å; I274-F293 HydrophobicContact CG2-CE1 4.12Å; Y276-F293 AromaticContact CE1-CE2 3.83Å; Y276-F293 HydrophobicContact CE1-CE2 3.83Å; Y276-F293 AromaticContact CE1-CZ 3.96Å; Y276-F293 HydrophobicContact CE1-CZ 3.96Å; Y276-F293 HydrophobicContact CE2-CE2 4.44Å; Y276-F293 HydrophobicContact CE2-CZ 4.28Å; Y276-F293 AromaticContact CZ-CE2 3.62Å; Y276-F293 AromaticContact CZ-CZ 3.82Å; Y276-F293 VanDerWaalsContact OH-CE2 3.31Å; Y276-F293 WeakPolarHBondContact OH-CE2 3.48Å; F293-I299 HydrophobicContact CD1-CD1 3.68Å; F293-I299 HydrophobicContact CD1-CG1 3.48Å; F293-I299 VanDerWaalsContact CD1-CG1 3.48Å; F293-I299 HydrophobicContact CE1-CD1 3.15Å; F293-I299 HydrophobicContact CE1-CG1 3.55Å; F293-I299 HydrophobicContact CG-CG1 4.19Å; F293-I299 HydrophobicContact CZ-CD1 3.69Å; F293-I299 HydrophobicContact CZ-CG1 4.29Å |
| 294 | R | 54.5 | Low | 57.3 | Low | 100 Ų | 100 | 70.8 Ų | 70.8 | 38% | 0.377 | 36% | 0.359 | S | S | . | . | trans | -91.7 | 158.8 | 168 | -66.7 | -169.6 | -171.8 | 141.8 | 3.3 | 110.1 | D296 G297 S298 Y300 N318 | R294-D296 WeakPolarHBondContact CB-OD1 3.45Å; R294-D296 PolarHBondContact O-N 2.98Å; R294-G297 PolarHBondContact O-N 3.46Å; R294-G297 VanDerWaalsContact O-N 3.11Å; R294-S298 WeakPolarHBondContact CD-OG 3.46Å; R294-S298 PolarHBondContact N-O 2.65Å; R294-Y300 HydrophobicContact CG-CD1 3.89Å; R294-Y300 HydrophobicContact CG-CE1 3.88Å; R294-N318 PolarHBondContact NH1-OD1 2.87Å; R294-N318 PolarHBondContact NH2-OD1 3.26Å | ||
| 295 | K | 51.8 | Low | 57.1 | Low | 211 Ų | 211 | 72.8 Ų | 72.8 | 92% | 0.917 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.7 | 177.8 | -69.9 | -170.6 | 175 | -171.8 | 0 | 113.6 | G297 | K295-G297 VanDerWaalsContact C-N 3.27Š|
| 296 | D | 48.1 | Very low | 56.9 | Low | 103 Ų | 103 | 79 Ų | 79 | 55% | 0.551 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -0 | 177.8 | 63.5 | 5.2 | 0 | 0 | 0 | 113.6 | R294 S298 | R294-D296 WeakPolarHBondContact CB-OD1 3.45Å; R294-D296 PolarHBondContact O-N 2.98Å; D296-S298 VanDerWaalsContact C-N 3.34Å; D296-S298 WeakPolarHBondContact OD1-CB 3.27Å; D296-S298 PolarHBondContact OD1-N 3.21Å; D296-S298 PolarHBondContact OD1-OG 2.92Å; D296-S298 PolarHBondContact OD2-OG 3.46Å |
| 297 | G | 48.1 | Very low | 56.7 | Low | 8 Ų | 8 | 79.1 Ų | 79.1 | 8% | 0.082 | 39% | 0.39 | C | S | . | . | S | Bend | trans | 88.1 | -5.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R294 K295 | R294-G297 PolarHBondContact O-N 3.46Å; R294-G297 VanDerWaalsContact O-N 3.11Å; K295-G297 VanDerWaalsContact C-N 3.27Å |
| 298 | S | 52.6 | Low | 55.9 | Low | 10 Ų | 10 | 79.2 Ų | 79.2 | 7% | 0.07 | 40% | 0.404 | C | S | . | . | trans | -72.9 | 149.9 | 172.4 | 67.2 | 0 | 0 | 0 | 0 | 111.6 | R294 D296 | R294-S298 WeakPolarHBondContact CD-OG 3.46Å; R294-S298 PolarHBondContact N-O 2.65Å; D296-S298 VanDerWaalsContact C-N 3.34Å; D296-S298 WeakPolarHBondContact OD1-CB 3.27Å; D296-S298 PolarHBondContact OD1-N 3.21Å; D296-S298 PolarHBondContact OD1-OG 2.92Å; D296-S298 PolarHBondContact OD2-OG 3.46Å | ||
| 299 | I | 54 | Low | 55.3 | Low | 15 Ų | 15 | 74.9 Ų | 74.9 | 8% | 0.077 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 139.2 | 173.8 | -62 | 174.9 | 0 | 0 | 0 | 108.1 | L279 K291 F293 I321 | L279-I299 HydrophobicContact CD1-CD1 4.14Å; L279-I299 HydrophobicContact CD2-CD1 3.45Å; L279-I299 VanDerWaalsContact CD2-CD1 3.45Å; L279-I299 HydrophobicContact CG-CD1 4.36Å; K291-I299 HydrophobicContact CB-CG2 4.43Å; F293-I299 HydrophobicContact CD1-CD1 3.68Å; F293-I299 HydrophobicContact CD1-CG1 3.48Å; F293-I299 VanDerWaalsContact CD1-CG1 3.48Å; F293-I299 HydrophobicContact CE1-CD1 3.15Å; F293-I299 HydrophobicContact CE1-CG1 3.55Å; F293-I299 HydrophobicContact CG-CG1 4.19Å; F293-I299 HydrophobicContact CZ-CD1 3.69Å; F293-I299 HydrophobicContact CZ-CG1 4.29Å; I299-I321 HydrophobicContact CB-CD1 3.49Å; I299-I321 VanDerWaalsContact CB-CD1 3.49Å; I299-I321 HydrophobicContact CD1-CD1 3.14Å; I299-I321 HydrophobicContact CG1-CD1 3.31Å |
| 300 | Y | 60.2 | Low | 54.5 | Low | 48 Ų | 48 | 83.9 Ų | 83.9 | 19% | 0.188 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 158.5 | 170.8 | 73.6 | -76.5 | 0 | 0 | 0 | 110.1 | V292 R294 K302 | V292-Y300 HydrophobicContact CB-CD1 4.17Å; V292-Y300 HydrophobicContact CB-CE1 3.54Å; V292-Y300 HydrophobicContact CB-CE2 4.31Å; V292-Y300 HydrophobicContact CG1-CE1 3.58Å; V292-Y300 WeakPolarHBondContact CG1-OH 3.42Å; V292-Y300 PolarHBondContact N-O 3.36Å; V292-Y300 WeakPolarHBondContact O-CD1 3.5Å; V292-Y300 PolarHBondContact O-N 3.09Å; V292-Y300 VanDerWaalsContact O-N 3.08Å; R294-Y300 HydrophobicContact CG-CD1 3.89Å; R294-Y300 HydrophobicContact CG-CE1 3.88Å; Y300-K302 HydrophobicContact CE2-CB 3.92Å; Y300-K302 HydrophobicContact CE2-CG 4.48Å |
| 301 | C | 58.6 | Low | 53.5 | Low | 19 Ų | 19 | 88.3 Ų | 88.3 | 13% | 0.128 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.4 | 173 | -67 | 0 | 0 | 0 | 0 | 109.4 | C285 | C285-C301 WeakPolarHBondContact CA-SG 3.24Å; C285-C301 HydrophobicContact CB-CB 3.77Å; C285-C301 WeakPolarHBondContact CB-SG 3.41Å; C285-C301 VanDerWaalsContact SG-CA 3.5Å; C285-C301 WeakPolarHBondContact SG-CB 3.39Å; C285-C301 CovalentContact SG-SG 2.03Å; C285-C301 PolarHBondContact SG-SG 2.88Å |
| 302 | K | 59.6 | Low | 52.6 | Low | 100 Ų | 100 | 87.4 Ų | 87.4 | 44% | 0.435 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.4 | 171.9 | -173.6 | -179 | 177.9 | -170.8 | 0 | 108.6 | G289 E290 V292 Y300 | G289-K302 CarbonylContact C-O 3.59Å; E290-K302 PolarHBondContact N-O 3.1Å; E290-K302 PolarHBondContact O-N 2.72Å; V292-K302 HydrophobicContact CG2-CB 3.61Å; V292-K302 HydrophobicContact CG2-CD 4Å; V292-K302 HydrophobicContact CG2-CG 4.48Å; Y300-K302 HydrophobicContact CE2-CB 3.92Å; Y300-K302 HydrophobicContact CE2-CG 4.48Å |
| 303 | C | 58.7 | Low | 51.6 | Low | 40 Ų | 40 | 88.5 Ų | 88.5 | 27% | 0.27 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 140.2 | -179.5 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | C312 | C303-C312 HydrophobicContact CB-CB 3.84Å; C303-C312 WeakPolarHBondContact CB-SG 3.1Å; C303-C312 WeakPolarHBondContact SG-CB 3.4Å; C303-C312 CovalentContact SG-SG 2Å; C303-C312 PolarHBondContact SG-SG 2.81Å |
| 304 | G | 55.3 | Low | 50.9 | Low | 33 Ų | 33 | 91.6 Ų | 91.6 | 34% | 0.34 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 150.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L306 Y307 | G304-L306 PolarHBondContact O-N 3.31Å; G304-Y307 PolarHBondContact O-N 3.36Å |
| 305 | F | 53.5 | Low | 50.5 | Low | 203 Ų | 203 | 90.6 Ų | 90.6 | 89% | 0.89 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -50.6 | -27.5 | -176.1 | -177.5 | -97.1 | 0 | 0 | 0 | 114.3 | Y307 | F305-Y307 VanDerWaalsContact C-N 3.33Å; F305-Y307 PolarHBondContact O-N 3.07Å |
| 306 | L | 52.9 | Low | 49.9 | Very low | 150 Ų | 150 | 88 Ų | 88 | 79% | 0.785 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -79.3 | -8 | -178 | -65.5 | 170.9 | 0 | 0 | 0 | 114.7 | G304 | G304-L306 PolarHBondContact O-N 3.31Š|
| 307 | Y | 50.7 | Low | 49.4 | Very low | 115 Ų | 115 | 85.6 Ų | 85.6 | 45% | 0.451 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -121.3 | 24 | -170.5 | -61.2 | -69 | 0 | 0 | 0 | 114.6 | G304 F305 G309 | G304-Y307 PolarHBondContact O-N 3.36Å; F305-Y307 VanDerWaalsContact C-N 3.33Å; F305-Y307 PolarHBondContact O-N 3.07Å; Y307-G309 PolarHBondContact O-N 3.41Å |
| 308 | A | 43.4 | Very low | 48.8 | Very low | 97 Ų | 97 | 89.3 Ų | 89.3 | 80% | 0.802 | 46% | 0.46 | S | S | * | . | trans | -64.8 | 122.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 309 | G | 46.3 | Very low | 48.1 | Very low | 49 Ų | 49 | 94 Ų | 94 | 51% | 0.505 | 48% | 0.477 | S | S | . | . | S | Bend | trans | 150 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y307 R311 C312 | Y307-G309 PolarHBondContact O-N 3.41Å; G309-R311 PolarHBondContact O-N 2.85Å; G309-C312 PolarHBondContact O-N 2.83Å |
| 310 | E | 46 | Very low | 47 | Very low | 204 Ų | 204 | 98.4 Ų | 98.4 | 95% | 0.953 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -14.3 | -175.9 | -72.8 | -176.9 | 150.8 | 0 | 0 | 116 | C312 | E310-C312 VanDerWaalsContact C-N 3.3Š|
| 311 | R | 43.7 | Very low | 45.8 | Very low | 223 Ų | 223 | 97.4 Ų | 97.4 | 84% | 0.842 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -10.8 | 173.6 | -68.1 | -176 | 173.2 | -176.6 | -2.3 | 114.2 | G309 | G309-R311 PolarHBondContact O-N 2.85Š|
| 312 | C | 45.7 | Very low | 44.7 | Very low | 26 Ų | 26 | 105.1 Ų | 105.1 | 18% | 0.176 | 54% | 0.538 | C | S | . | . | trans | -119.4 | 69.1 | 174.5 | -173.2 | 0 | 0 | 0 | 0 | 109.1 | C303 G309 E310 E314 | C303-C312 HydrophobicContact CB-CB 3.84Å; C303-C312 WeakPolarHBondContact CB-SG 3.1Å; C303-C312 WeakPolarHBondContact SG-CB 3.4Å; C303-C312 CovalentContact SG-SG 2Å; C303-C312 PolarHBondContact SG-SG 2.81Å; G309-C312 PolarHBondContact O-N 2.83Å; E310-C312 VanDerWaalsContact C-N 3.3Å; C312-E314 VanDerWaalsContact C-N 3.35Å; C312-E314 PolarHBondContact O-N 2.84Å; C312-E314 VanDerWaalsContact O-N 3.1Å | ||
| 313 | D | 41.7 | Very low | 43.7 | Very low | 59 Ų | 59 | 100.9 Ų | 100.9 | 32% | 0.316 | 52% | 0.521 | S | S | . | . | trans | -78.4 | 91.4 | 169.3 | -168.3 | -6.8 | 0 | 0 | 0 | 108.2 | S315 K316 F317 | D313-S315 PolarHBondContact O-N 3.44Å; D313-S315 VanDerWaalsContact OD1-CB 3.24Å; D313-S315 WeakPolarHBondContact OD1-CB 3.42Å; D313-S315 PolarHBondContact OD1-N 2.84Å; D313-S315 VanDerWaalsContact OD1-N 3.12Å; D313-S315 PolarHBondContact OD1-OG 2.99Å; D313-S315 PolarHBondContact OD2-OG 2.91Å; D313-K316 HydrophobicContact CB-CB 4.28Å; D313-K316 HydrophobicContact CB-CD 4.14Å; D313-K316 HydrophobicContact CB-CG 4.13Å; D313-K316 PolarHBondContact O-N 2.79Å; D313-K316 WeakPolarHBondContact OD2-CE 3.48Å; D313-K316 WeakPolarHBondContact OD2-CG 3.4Å; D313-F317 WeakPolarHBondContact O-CD2 3.44Å | ||
| 314 | E | 44.3 | Very low | 42.5 | Very low | 110 Ų | 110 | 102.2 Ų | 102.2 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -21.6 | 175.3 | -67.2 | -173.6 | 167.7 | 0 | 0 | 111.9 | C312 | C312-E314 VanDerWaalsContact C-N 3.35Å; C312-E314 PolarHBondContact O-N 2.84Å; C312-E314 VanDerWaalsContact O-N 3.1Å |
| 315 | S | 45.8 | Very low | 41.4 | Very low | 79 Ų | 79 | 103.1 Ų | 103.1 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -26.1 | 176.2 | 82.3 | 0 | 0 | 0 | 0 | 113.5 | D313 | D313-S315 PolarHBondContact O-N 3.44Å; D313-S315 VanDerWaalsContact OD1-CB 3.24Å; D313-S315 WeakPolarHBondContact OD1-CB 3.42Å; D313-S315 PolarHBondContact OD1-N 2.84Å; D313-S315 VanDerWaalsContact OD1-N 3.12Å; D313-S315 PolarHBondContact OD1-OG 2.99Å; D313-S315 PolarHBondContact OD2-OG 2.91Å |
| 316 | K | 38.3 | Very low | 40.4 | Very low | 158 Ų | 158 | 98.7 Ų | 98.7 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -17.1 | 179.7 | -77.1 | -177.2 | -176.4 | 177.5 | 0 | 114.3 | D313 | D313-K316 HydrophobicContact CB-CB 4.28Å; D313-K316 HydrophobicContact CB-CD 4.14Å; D313-K316 HydrophobicContact CB-CG 4.13Å; D313-K316 PolarHBondContact O-N 2.79Å; D313-K316 WeakPolarHBondContact OD2-CE 3.48Å; D313-K316 WeakPolarHBondContact OD2-CG 3.4Å |
| 317 | F | 37.6 | Very low | 39.3 | Very low | 52 Ų | 52 | 99.4 Ų | 99.4 | 23% | 0.228 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 21.5 | -176.1 | -60.4 | -77.9 | 0 | 0 | 0 | 113.5 | L286 D313 Y319 | L286-F317 HydrophobicContact CD1-CE1 4.18Å; L286-F317 HydrophobicContact CD1-CZ 3.93Å; D313-F317 WeakPolarHBondContact O-CD2 3.44Å; F317-Y319 HydrophobicContact CB-CE2 4.27Å; F317-Y319 AromaticContact CD1-CE2 3.91Å; F317-Y319 HydrophobicContact CD1-CE2 3.91Å; F317-Y319 WeakPolarHBondContact O-CD2 3.31Å; F317-Y319 PolarHBondContact O-N 3.1Å |
| 318 | N | 36.4 | Very low | 38.4 | Very low | 85 Ų | 85 | 100.2 Ų | 100.2 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | trans | -73.9 | 81.9 | 166.1 | -76.3 | -51.1 | 0 | 0 | 0 | 109 | R294 S320 | R294-N318 PolarHBondContact NH1-OD1 2.87Å; R294-N318 PolarHBondContact NH2-OD1 3.26Å; N318-S320 PolarHBondContact O-N 3.12Å | ||
| 319 | Y | 36.7 | Very low | 37.9 | Very low | 110 Ų | 110 | 99.8 Ų | 99.8 | 43% | 0.431 | 50% | 0.502 | S | S | . | . | B | Isolated β-bridge | trans | -78.3 | 104.5 | 165.8 | -59.4 | -77.6 | 0 | 0 | 0 | 107.6 | F317 I321 | F317-Y319 HydrophobicContact CB-CE2 4.27Å; F317-Y319 AromaticContact CD1-CE2 3.91Å; F317-Y319 HydrophobicContact CD1-CE2 3.91Å; F317-Y319 WeakPolarHBondContact O-CD2 3.31Å; F317-Y319 PolarHBondContact O-N 3.1Å; Y319-I321 VanDerWaalsContact C-N 3.27Å; Y319-I321 PolarHBondContact O-N 3.5Å |
| 320 | S | 32.8 | Very low | 37 | Very low | 106 Ų | 106 | 106 Ų | 106 | 74% | 0.741 | 51% | 0.511 | S | S | * | . | trans | -71.1 | 95.1 | 163.3 | -150.1 | 0 | 0 | 0 | 0 | 106.2 | N318 K322 | N318-S320 PolarHBondContact O-N 3.12Å; S320-K322 PolarHBondContact O-N 3.13Å | ||
| 321 | I | 34.4 | Very low | 36 | Very low | 27 Ų | 27 | 98.2 Ų | 98.2 | 14% | 0.138 | 49% | 0.485 | C | S | . | . | trans | -65.5 | 108.7 | 175.2 | -70.6 | 156.3 | 0 | 0 | 0 | 106.1 | L279 I299 Y319 A323 | L279-I321 HydrophobicContact CD1-CD1 4.28Å; L279-I321 HydrophobicContact CD1-CG2 4.38Å; L279-I321 HydrophobicContact CD2-CD1 3.66Å; I299-I321 HydrophobicContact CB-CD1 3.49Å; I299-I321 VanDerWaalsContact CB-CD1 3.49Å; I299-I321 HydrophobicContact CD1-CD1 3.14Å; I299-I321 HydrophobicContact CG1-CD1 3.31Å; Y319-I321 VanDerWaalsContact C-N 3.27Å; Y319-I321 PolarHBondContact O-N 3.5Å; I321-A323 PolarHBondContact O-N 2.84Å | ||
| 322 | K | 34.2 | Very low | 35.3 | Very low | 182 Ų | 182 | 93.2 Ų | 93.2 | 79% | 0.791 | 49% | 0.485 | S | S | * | . | trans | -63.6 | 90.4 | 156.9 | -68.5 | -177.6 | 179.1 | -177.8 | 0 | 104.5 | S320 Y324 | S320-K322 PolarHBondContact O-N 3.13Å; K322-Y324 PolarHBondContact O-N 2.87Å | ||
| 323 | A | 38.6 | Very low | 34.3 | Very low | 10 Ų | 10 | 99.1 Ų | 99.1 | 8% | 0.083 | 52% | 0.515 | C | S | . | . | trans | -54.6 | 127.7 | 171 | 0 | 0 | 0 | 0 | 0 | 106 | Y233 I321 S325 | Y233-A323 HydrophobicContact CD1-CB 4.33Å; Y233-A323 HydrophobicContact CD2-CB 4.47Å; Y233-A323 HydrophobicContact CG-CB 3.8Å; I321-A323 PolarHBondContact O-N 2.84Å; A323-S325 PolarHBondContact O-N 2.89Å | ||
| 324 | Y | 34.8 | Very low | 33.4 | Very low | 69 Ų | 69 | 102.2 Ų | 102.2 | 27% | 0.271 | 54% | 0.54 | S | S | . | . | trans | -35.4 | 118.8 | -156.9 | -58.7 | -95.5 | 0 | 0 | 0 | 112.7 | T278 K322 I326 E328 V329 | T278-Y324 VanDerWaalsContact CG2-OH 3.22Å; T278-Y324 WeakPolarHBondContact CG2-OH 3.35Å; K322-Y324 PolarHBondContact O-N 2.87Å; Y324-I326 PolarHBondContact O-N 2.95Å; Y324-E328 HydrophobicContact CD1-CB 4.22Å; Y324-V329 HydrophobicContact CD1-CG2 4.06Å; Y324-V329 HydrophobicContact CG-CG2 3.84Å | ||
| 325 | S | 32.7 | Very low | 32.5 | Very low | 52 Ų | 52 | 102.7 Ų | 102.7 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | trans | -58.9 | 137.4 | 158.8 | 52.8 | 0 | 0 | 0 | 0 | 106.7 | A323 E327 E328 | A323-S325 PolarHBondContact O-N 2.89Å; S325-E327 PolarHBondContact O-N 2.02Å; S325-E328 PolarHBondContact O-N 2.78Å | ||
| 326 | I | 32.3 | Very low | 31.6 | Very low | 110 Ų | 110 | 111.5 Ų | 111.5 | 56% | 0.564 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -44.6 | -29.8 | -178.7 | -73 | 168.2 | 0 | 0 | 0 | 112.8 | Y324 E328 V329 Y330 | Y324-I326 PolarHBondContact O-N 2.95Å; I326-E328 PolarHBondContact O-N 2.86Å; I326-V329 PolarHBondContact O-N 2.99Å; I326-Y330 HydrophobicContact CG2-CD2 4.25Å; I326-Y330 PolarHBondContact O-N 2.84Å; I326-Y330 VanDerWaalsContact O-N 3.16Å |
| 327 | E | 28.5 | Very low | 31.3 | Very low | 164 Ų | 164 | 109.2 Ų | 109.2 | 77% | 0.766 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.2 | -27.7 | 176 | -67.7 | -174.5 | 155.5 | 0 | 0 | 115.6 | S325 | S325-E327 PolarHBondContact O-N 2.02Å |
| 328 | E | 31.7 | Very low | 30.9 | Very low | 133 Ų | 133 | 112.2 Ų | 112.2 | 62% | 0.621 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -84.2 | -24.9 | 178.6 | -75 | -169.9 | 156.4 | 0 | 0 | 112.9 | Y324 S325 I326 | Y324-E328 HydrophobicContact CD1-CB 4.22Å; S325-E328 PolarHBondContact O-N 2.78Å; I326-E328 PolarHBondContact O-N 2.86Å |
| 329 | V | 33.4 | Very low | 30.6 | Very low | 88 Ų | 88 | 113.7 Ų | 113.7 | 53% | 0.533 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -84.2 | -38 | 178.6 | -179.2 | 0 | 0 | 0 | 0 | 111 | Y324 I326 G331 | Y324-V329 HydrophobicContact CD1-CG2 4.06Å; Y324-V329 HydrophobicContact CG-CG2 3.84Å; I326-V329 PolarHBondContact O-N 2.99Å; V329-G331 PolarHBondContact O-N 2.84Å |
| 330 | Y | 27.9 | Very low | 30.3 | Very low | 178 Ų | 178 | 113.9 Ų | 113.9 | 70% | 0.698 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -104.1 | 65.2 | 175.9 | -65.4 | -81.3 | 0 | 0 | 0 | 109.3 | I326 S332 | I326-Y330 HydrophobicContact CG2-CD2 4.25Å; I326-Y330 PolarHBondContact O-N 2.84Å; I326-Y330 VanDerWaalsContact O-N 3.16Å; Y330-S332 PolarHBondContact O-N 2.82Å |
| 331 | G | 25.8 | Very low | 30.1 | Very low | 41 Ų | 41 | 114.4 Ų | 114.4 | 42% | 0.423 | 61% | 0.614 | S | S | . | * | trans | -49.6 | 111.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | V329 N333 | V329-G331 PolarHBondContact O-N 2.84Å; G331-N333 WeakPolarHBondContact O-CB 3.17Å; G331-N333 PolarHBondContact O-N 2.85Å | ||
| 332 | S | 27.4 | Very low | 29.8 | Very low | 118 Ų | 118 | 120.2 Ų | 120.2 | 83% | 0.825 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 40.7 | 12.5 | 152.8 | -44.7 | 0 | 0 | 0 | 0 | 120.1 | Y330 | Y330-S332 PolarHBondContact O-N 2.82Š|
| 333 | N | 25.2 | Very low | 29.5 | Very low | 151 Ų | 151 | 115.8 Ų | 115.8 | 81% | 0.807 | 64% | 0.636 | S | S | * | * | trans | -112.1 | 22.3 | -171.6 | -80.5 | -13 | 0 | 0 | 0 | 113.6 | G331 C335 | G331-N333 WeakPolarHBondContact O-CB 3.17Å; G331-N333 PolarHBondContact O-N 2.85Å; N333-C335 VanDerWaalsContact C-N 3.26Å; N333-C335 PolarHBondContact O-N 3.31Å | ||
| 334 | C | 23.9 | Very low | 28.8 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 84% | 0.838 | 68% | 0.678 | S | S | * | * | trans | -91.3 | 64.3 | 159.2 | -75 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 335 | C | 23.8 | Very low | 28.3 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 81% | 0.811 | 71% | 0.712 | S | S | * | * | trans | -148.3 | 73.7 | 164 | -82.8 | 0 | 0 | 0 | 0 | 108.2 | N333 | N333-C335 VanDerWaalsContact C-N 3.26Å; N333-C335 PolarHBondContact O-N 3.31Å | ||
| 336 | M | 27.3 | Very low | 27.9 | Very low | 263 Ų | 263 | 135.5 Ų | 135.5 | 100% | 1.296 | 74% | 0.744 | S | S | * | * | trans | -136.5 | 0 | 149 | -75.8 | -168.6 | -169.9 | 0 | 0 | 106.5 |
Retrieved 336 of 336 residues in 251.2 ms
(Link to these results)