| 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 | K | 48.5 | Very low | 81.4 | Confident | 235 Ų | 235 | 120.5 Ų | 120.5 | 100% | 1.022 | 64% | 0.642 | S | S | * | * | 0 | 116.9 | 0 | -75.7 | -178.7 | 175.3 | 179.4 | 0 | 107.2 | T3 | K1-T3 VanDerWaalsContact C-N 3.3Å; K1-T3 PolarHBondContact O-N 3.01Å | |||
| 2 | N | 80.9 | Confident | 82.1 | Confident | 174 Ų | 174 | 110.8 Ų | 110.8 | 93% | 0.93 | 59% | 0.591 | S | S | * | * | trans | -92.7 | 59.4 | -179.5 | -69.9 | -5.4 | 0 | 0 | 0 | 110.2 | ||||
| 3 | T | 85.7 | Confident | 82.5 | Confident | 104 Ų | 104 | 104.9 Ų | 104.9 | 64% | 0.638 | 56% | 0.56 | S | S | * | * | trans | -130.8 | 132 | -171.4 | 51.9 | 0 | 0 | 0 | 0 | 109.9 | K1 | K1-T3 VanDerWaalsContact C-N 3.3Å; K1-T3 PolarHBondContact O-N 3.01Å | ||
| 4 | W | 85.3 | Confident | 82.9 | Confident | 262 Ų | 262 | 101.2 Ų | 101.2 | 99% | 0.992 | 54% | 0.543 | S | S | * | . | trans | -90.3 | 135.2 | 172.6 | -69.1 | 95.2 | 0 | 0 | 0 | 110.1 | ||||
| 5 | S | 82.2 | Confident | 82.8 | Confident | 93 Ų | 93 | 96.8 Ų | 96.8 | 65% | 0.65 | 52% | 0.517 | S | S | * | . | trans | -146.2 | 146.8 | 176.7 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 6 | V | 78.1 | Confident | 82.6 | Confident | 150 Ų | 150 | 94.1 Ų | 94.1 | 91% | 0.909 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 130.8 | 169.6 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | ||
| 7 | V | 82.4 | Confident | 82.5 | Confident | 67 Ų | 67 | 90.5 Ų | 90.5 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -100.7 | 132.9 | -179.1 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | R59 | V7-R59 VanDerWaalsContact CG1-CD 3.48Å; V7-R59 HydrophobicContact CG1-CG 3.98Å |
| 8 | S | 83.4 | Confident | 82.6 | Confident | 98 Ų | 98 | 88.1 Ų | 88.1 | 69% | 0.685 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 132.9 | 169.3 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | ||
| 9 | T | 89.1 | Confident | 82.9 | Confident | 57 Ų | 57 | 84.5 Ų | 84.5 | 35% | 0.35 | 48% | 0.476 | S | S | . | . | trans | -130 | 147.9 | -173.5 | 59.9 | 0 | 0 | 0 | 0 | 111 | F54 R59 W61 | T9-F54 HydrophobicContact CG2-CE2 3.63Å; T9-F54 HydrophobicContact CG2-CZ 3.99Å; T9-R59 CarbonylContact C-O 3.28Å; T9-R59 WeakPolarHBondContact CA-O 3.45Å; T9-R59 VanDerWaalsContact CB-O 3.3Å; T9-R59 WeakPolarHBondContact CB-O 3.49Å; T9-R59 HydrophobicContact CG2-CB 4.48Å; T9-W61 PolarHBondContact OG1-NE1 3.18Å | ||
| 10 | D | 89.6 | Confident | 83.4 | Confident | 81 Ų | 81 | 84.5 Ų | 84.5 | 43% | 0.433 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 172.8 | 178.8 | -62.8 | -37.2 | 0 | 0 | 0 | 111.4 | R59 K60 W61 Y265 | D10-R59 PolarHBondContact N-O 3.42Å; D10-K60 CarbonylContact O-C 3.56Å; D10-K60 WeakPolarHBondContact O-CA 2.92Å; D10-W61 PolarHBondContact O-N 3.15Å; D10-Y265 HydrophobicContact CB-CE1 4.12Å |
| 11 | G | 89.9 | Confident | 84 | Confident | 4 Ų | 4 | 80.9 Ų | 80.9 | 4% | 0.041 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 87.7 | -143 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | W61 Y265 | G11-W61 WeakPolarHBondContact CA-O 3.44Å; G11-Y265 VanDerWaalsContact N-CE2 3.3Å; G11-Y265 PolarHBondContact N-OH 2.66Å |
| 12 | A | 90.3 | Very high | 86.2 | Confident | 4 Ų | 4 | 73.3 Ų | 73.3 | 3% | 0.033 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -64.2 | 144.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V14 W61 I63 A236 | A12-V14 PolarHBondContact O-N 3.05Å; A12-W61 HydrophobicContact CB-CB 4.27Å; A12-W61 PolarHBondContact N-O 3.01Å; A12-W61 WeakPolarHBondContact O-CB 3.12Å; A12-I63 HydrophobicContact CB-CD1 3.77Å; A12-I63 HydrophobicContact CB-CG1 3.64Å; A12-A236 HydrophobicContact CB-CB 3.94Å; A12-A236 VanDerWaalsContact N-CB 3.32Å |
| 13 | L | 87.5 | Confident | 86.9 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 18% | 0.183 | 39% | 0.389 | C | S | . | . | trans | -83.5 | 115.3 | 178.3 | -61.5 | -179 | 0 | 0 | 0 | 110.6 | D230 Y232 S233 Y275 V276 K279 | L13-D230 HydrophobicContact CD1-CB 4.41Å; L13-Y232 HydrophobicContact CD1-CD2 4.05Å; L13-Y232 HydrophobicContact CD2-CD2 4.46Å; L13-Y232 HydrophobicContact CG-CD2 4.27Å; L13-S233 PolarHBondContact N-OG 3.12Å; L13-Y275 VanDerWaalsContact CD1-O 3.27Å; L13-Y275 WeakPolarHBondContact CD1-O 3.03Å; L13-V276 HydrophobicContact CD2-CG2 4.46Å; L13-K279 HydrophobicContact CB-CD 4.38Å; L13-K279 HydrophobicContact CB-CG 3.96Å; L13-K279 HydrophobicContact CD1-CG 3.9Å | ||
| 14 | V | 87.3 | Confident | 87.3 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 32% | 0.321 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -91.2 | 134.9 | -177.6 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | A12 Y52 W61 | A12-V14 PolarHBondContact O-N 3.05Å; V14-Y52 HydrophobicContact CB-CE1 4.43Å; V14-Y52 HydrophobicContact CG1-CD1 4.36Å; V14-Y52 HydrophobicContact CG1-CE1 4.28Å; V14-Y52 HydrophobicContact CG2-CD1 3.8Å; V14-Y52 HydrophobicContact CG2-CE1 4.01Å; V14-Y52 HydrophobicContact CG2-CG 4.48Å; V14-W61 HydrophobicContact CG2-CB 4.06Å; V14-W61 HydrophobicContact CG2-CD2 3.38Å; V14-W61 HydrophobicContact CG2-CE3 3.48Å; V14-W61 VanDerWaalsContact CG2-CE3 3.48Å; V14-W61 HydrophobicContact CG2-CG 3.64Å; V14-W61 HydrophobicContact CG2-CH2 4.45Å; V14-W61 HydrophobicContact CG2-CZ2 4.4Å; V14-W61 HydrophobicContact CG2-CZ3 3.99Å |
| 15 | Q | 81.9 | Confident | 87.6 | Confident | 35 Ų | 35 | 53.7 Ų | 53.7 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 143.3 | 175.1 | -70 | 178.8 | -22.3 | 0 | 0 | 112.1 | K279 | Q15-K279 HydrophobicContact CG-CD 4.18Š|
| 16 | G | 79.3 | Confident | 87.8 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 55% | 0.546 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 137.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A39 | G16-A39 PolarHBondContact O-N 3.25Š|
| 17 | G | 81.6 | Confident | 88.1 | Confident | 34 Ų | 34 | 49.3 Ų | 49.3 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 171.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y37 | G17-Y37 CarbonylContact C-O 3.56Å; G17-Y37 WeakPolarHBondContact CA-O 3.43Å |
| 18 | Y | 84.7 | Confident | 88.2 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 18% | 0.184 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 159.1 | -179.2 | 84.5 | -94 | 0 | 0 | 0 | 111.8 | H20 G36 Y37 Y72 V486 A487 | Y18-H20 PolarHBondContact O-N 3.01Å; Y18-G36 CarbonylContact O-C 3.6Å; Y18-G36 VanDerWaalsContact O-CA 3.31Å; Y18-G36 WeakPolarHBondContact O-CA 3.45Å; Y18-Y37 HydrophobicContact CD1-CD1 4.03Å; Y18-Y37 HydrophobicContact CD1-CG 4.29Å; Y18-Y37 AromaticContact CE1-CD1 3.27Å; Y18-Y37 HydrophobicContact CE1-CD1 3.27Å; Y18-Y37 HydrophobicContact CE1-CE1 4.21Å; Y18-Y37 AromaticContact CE1-CG 3.53Å; Y18-Y37 HydrophobicContact CE1-CG 3.53Å; Y18-Y37 AromaticContact CZ-CG 3.9Å; Y18-Y37 PolarHBondContact N-O 2.71Å; Y18-Y37 PolarHBondContact O-N 3.38Å; Y18-Y72 HydrophobicContact CD2-CD2 4.33Å; Y18-Y72 AromaticContact CE2-CD2 3.42Å; Y18-Y72 HydrophobicContact CE2-CD2 3.42Å; Y18-Y72 VanDerWaalsContact CE2-CD2 3.42Å; Y18-Y72 AromaticContact CE2-CE2 3.59Å; Y18-Y72 HydrophobicContact CE2-CE2 3.59Å; Y18-Y72 AromaticContact CZ-CD2 3.77Å; Y18-Y72 AromaticContact CZ-CE2 3.74Å; Y18-Y72 WeakPolarHBondContact OH-CE2 3.47Å; Y18-V486 WeakPolarHBondContact OH-CG1 3.15Å; Y18-A487 HydrophobicContact CD1-CB 3.31Å; Y18-A487 HydrophobicContact CD2-CB 4.01Å; Y18-A487 HydrophobicContact CE1-CB 3.27Å; Y18-A487 HydrophobicContact CE2-CB 4.04Å; Y18-A487 HydrophobicContact CG-CB 3.7Å; Y18-A487 VanDerWaalsContact CZ-CA 3.48Å |
| 19 | G | 88.1 | Confident | 88.6 | Confident | 20 Ų | 20 | 48.8 Ų | 48.8 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 67.2 | 21.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y72 L73 | G19-Y72 CarbonylContact O-C 3.57Å; G19-Y72 WeakPolarHBondContact O-CA 3.16Å; G19-L73 PolarHBondContact O-N 3.22Å |
| 20 | H | 93.1 | Very high | 88.8 | Confident | 84 Ų | 84 | 46 Ų | 46 | 39% | 0.389 | 27% | 0.271 | S | S | . | . | trans | -76.6 | 156.8 | 167.4 | 58.5 | -95.4 | 0 | 0 | 0 | 110.2 | Y18 I33 H34 G35 | Y18-H20 PolarHBondContact O-N 3.01Å; H20-I33 HydrophobicContact CB-CG2 4.09Å; H20-I33 VanDerWaalsContact CD2-CG2 3.5Å; H20-I33 WeakPolarHBondContact CD2-CG2 2.99Å; H20-H34 WeakPolarHBondContact CA-O 3.35Å; H20-H34 WeakPolarHBondContact CB-O 3.15Å; H20-G35 WeakPolarHBondContact CB-O 3.31Å | ||
| 21 | S | 94.8 | Very high | 89.1 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 148.1 | 166.1 | 64.4 | 0 | 0 | 0 | 0 | 109.8 | I33 H34 H74 A76 | S21-I33 WeakPolarHBondContact O-CA 3.21Å; S21-H34 PolarHBondContact N-O 2.87Å; S21-H34 VanDerWaalsContact N-O 3.13Å; S21-H34 PolarHBondContact O-N 3.23Å; S21-H74 WeakPolarHBondContact CB-NE2 3.41Å; S21-H74 PolarHBondContact OG-CD2 3.37Å; S21-H74 VanDerWaalsContact OG-CD2 3.24Å; S21-H74 PolarHBondContact OG-NE2 2.89Å; S21-A76 WeakPolarHBondContact OG-CB 3.01Å |
| 22 | S | 94.8 | Very high | 89.4 | Confident | 76 Ų | 76 | 44.8 Ų | 44.8 | 53% | 0.531 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 135.5 | 172.6 | 66.5 | 0 | 0 | 0 | 0 | 110 | Y32 | S22-Y32 VanDerWaalsContact CA-O 3.27Å; S22-Y32 WeakPolarHBondContact CA-O 3.39Å |
| 23 | V | 95.3 | Very high | 89.6 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 132.4 | -178.7 | -67.5 | 0 | 0 | 0 | 0 | 109.5 | I31 Y32 A76 I78 M83 | V23-I31 WeakPolarHBondContact O-CA 3.47Å; V23-Y32 PolarHBondContact N-O 2.79Å; V23-Y32 PolarHBondContact O-N 3.29Å; V23-A76 VanDerWaalsContact CG1-C 3.42Å; V23-A76 HydrophobicContact CG1-CB 3.76Å; V23-A76 WeakPolarHBondContact CG1-O 3.31Å; V23-I78 HydrophobicContact CB-CD1 3.8Å; V23-I78 HydrophobicContact CB-CG1 4.02Å; V23-I78 HydrophobicContact CG2-CD1 3.58Å; V23-I78 HydrophobicContact CG2-CG1 3.69Å; V23-M83 HydrophobicContact CG2-CE 3.9Å; V23-M83 HydrophobicContact CG2-CG 4.09Å; V23-M83 HydrophobicContact CG2-SD 3.9Å |
| 24 | F | 94.6 | Very high | 90 | Very high | 105 Ų | 105 | 44 Ų | 44 | 46% | 0.461 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127.1 | 175.4 | 175.1 | -109.7 | 0 | 0 | 0 | 109.3 | P26 I31 V56 | F24-P26 HydrophobicContact CD1-CG 4.32Å; F24-P26 HydrophobicContact CE1-CB 4.26Å; F24-P26 HydrophobicContact CE1-CG 4.24Å; F24-P26 WeakPolarHBondContact O-CD 3.43Å; F24-I31 HydrophobicContact CD2-CG1 3.87Å; F24-V56 HydrophobicContact CE2-CG2 4.18Å |
| 25 | D | 91.5 | Very high | 90.2 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 113.9 | 170.1 | 177.9 | 21.6 | 0 | 0 | 0 | 109.8 | S27 T28 R29 A30 Y32 I78 L112 | D25-S27 PolarHBondContact O-N 3.05Å; D25-S27 PolarHBondContact OD1-N 2.84Å; D25-S27 PolarHBondContact OD1-OG 2.87Å; D25-S27 PolarHBondContact OD2-OG 3.5Å; D25-T28 WeakPolarHBondContact CB-OG1 3.43Å; D25-T28 VanDerWaalsContact OD2-CB 3.25Å; D25-T28 WeakPolarHBondContact OD2-CB 3.39Å; D25-T28 WeakPolarHBondContact OD2-CG2 3.14Å; D25-T28 PolarHBondContact OD2-N 3.48Å; D25-T28 PolarHBondContact OD2-OG1 3.35Å; D25-R29 WeakPolarHBondContact O-CA 3.26Å; D25-R29 PolarHBondContact O-N 2.91Å; D25-A30 PolarHBondContact N-O 3.44Å; D25-A30 PolarHBondContact O-N 3.3Å; D25-Y32 HydrophobicContact CB-CD2 4.36Å; D25-Y32 HydrophobicContact CB-CE2 3.93Å; D25-I78 HydrophobicContact CB-CD1 3.6Å; D25-L112 HydrophobicContact CB-CD2 4.43Å |
| 26 | P | 87.1 | Confident | 90.6 | Very high | 95 Ų | 95 | 39.8 Ų | 39.8 | 62% | 0.617 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -29.3 | 176.4 | -22 | 34 | 0 | 0 | 0 | 113.2 | F24 | F24-P26 HydrophobicContact CD1-CG 4.32Å; F24-P26 HydrophobicContact CE1-CB 4.26Å; F24-P26 HydrophobicContact CE1-CG 4.24Å; F24-P26 WeakPolarHBondContact O-CD 3.43Å |
| 27 | S | 83.6 | Confident | 90.8 | Very high | 56 Ų | 56 | 39 Ų | 39 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -47.5 | -172.4 | 72 | 0 | 0 | 0 | 0 | 112.3 | D25 P197 | D25-S27 PolarHBondContact O-N 3.05Å; D25-S27 PolarHBondContact OD1-N 2.84Å; D25-S27 PolarHBondContact OD1-OG 2.87Å; D25-S27 PolarHBondContact OD2-OG 3.5Å; S27-P197 VanDerWaalsContact OG-CD 3.24Å; S27-P197 WeakPolarHBondContact OG-CD 3.43Å; S27-P197 VanDerWaalsContact OG-CG 3.31Å; S27-P197 WeakPolarHBondContact OG-CG 3.43Å |
| 28 | T | 84.9 | Confident | 90.9 | Very high | 32 Ų | 32 | 37.7 Ų | 37.7 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -10.2 | 172.8 | 57.1 | 0 | 0 | 0 | 0 | 114.1 | D25 A30 P197 | D25-T28 WeakPolarHBondContact CB-OG1 3.43Å; D25-T28 VanDerWaalsContact OD2-CB 3.25Å; D25-T28 WeakPolarHBondContact OD2-CB 3.39Å; D25-T28 WeakPolarHBondContact OD2-CG2 3.14Å; D25-T28 PolarHBondContact OD2-N 3.48Å; D25-T28 PolarHBondContact OD2-OG1 3.35Å; T28-A30 PolarHBondContact O-N 3.04Å; T28-A30 WeakPolarHBondContact OG1-CB 3.27Å; T28-A30 PolarHBondContact OG1-N 2.77Å; T28-P197 HydrophobicContact CG2-CB 3.7Å; T28-P197 HydrophobicContact CG2-CG 3.21Å |
| 29 | R | 91.2 | Very high | 90.5 | Very high | 121 Ų | 121 | 35.9 Ų | 35.9 | 46% | 0.457 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 39.9 | -168.1 | -63.7 | -179.7 | 56.6 | 95.2 | 1.9 | 112.2 | D25 V56 D57 | D25-R29 WeakPolarHBondContact O-CA 3.26Å; D25-R29 PolarHBondContact O-N 2.91Å; R29-V56 WeakPolarHBondContact O-CB 3.28Å; R29-V56 WeakPolarHBondContact O-CG2 3.22Å; R29-V56 PolarHBondContact O-N 3.35Å; R29-V56 VanDerWaalsContact O-N 3.15Å; R29-D57 VanDerWaalsContact CD-OD2 3.28Å; R29-D57 WeakPolarHBondContact CD-OD2 3.19Å; R29-D57 IonicContact CZ-OD1 3.32Å; R29-D57 VanDerWaalsContact CZ-OD1 3.32Å; R29-D57 IonicContact CZ-OD2 3.76Å; R29-D57 VanDerWaalsContact NE-CG 3.31Å; R29-D57 IonicContact NE-OD1 3.08Å; R29-D57 PolarHBondContact NE-OD1 2.02Å; R29-D57 VanDerWaalsContact NE-OD1 3.08Å; R29-D57 IonicContact NE-OD2 2.76Å; R29-D57 PolarHBondContact NE-OD2 3.29Å; R29-D57 IonicContact NH2-OD1 2.74Å; R29-D57 PolarHBondContact NH2-OD1 3.1Å; R29-D57 IonicContact NH2-OD2 3.93Å |
| 30 | A | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 148.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D25 T28 Y32 K53 F54 | D25-A30 PolarHBondContact N-O 3.44Å; D25-A30 PolarHBondContact O-N 3.3Å; T28-A30 PolarHBondContact O-N 3.04Å; T28-A30 WeakPolarHBondContact OG1-CB 3.27Å; T28-A30 PolarHBondContact OG1-N 2.77Å; A30-Y32 HydrophobicContact CB-CE2 3.99Å; A30-K53 HydrophobicContact CB-CD 4.36Å; A30-K53 HydrophobicContact CB-CG 3.84Å; A30-F54 CarbonylContact C-O 3.46Å; A30-F54 VanDerWaalsContact CA-O 3.22Å; A30-F54 WeakPolarHBondContact CA-O 3.27Å |
| 31 | I | 95.9 | Very high | 88.8 | Confident | 53 Ų | 53 | 36.4 Ų | 36.4 | 27% | 0.272 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.6 | 171 | -51.8 | 174.1 | 0 | 0 | 0 | 107.3 | V23 F24 I33 K53 F54 V56 | V23-I31 WeakPolarHBondContact O-CA 3.47Å; F24-I31 HydrophobicContact CD2-CG1 3.87Å; I31-I33 HydrophobicContact CB-CD1 4.13Å; I31-I33 HydrophobicContact CG2-CD1 3.72Å; I31-I33 HydrophobicContact CG2-CG1 4.28Å; I31-I33 WeakPolarHBondContact O-CD1 3.33Å; I31-K53 WeakPolarHBondContact O-CA 3.34Å; I31-F54 HydrophobicContact CB-CB 4.32Å; I31-F54 HydrophobicContact CD1-CD1 4.15Å; I31-F54 PolarHBondContact N-O 2.99Å; I31-F54 PolarHBondContact O-N 2.78Å; I31-V56 HydrophobicContact CD1-CG2 4.11Å; I31-V56 HydrophobicContact CG1-CG2 3.95Å |
| 32 | Y | 95.4 | Very high | 87.3 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 2% | 0.02 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 129 | 174.5 | -65.4 | -99.2 | 0 | 0 | 0 | 109.2 | S22 V23 D25 A30 Y52 K53 L64 I78 Y110 L112 | S22-Y32 VanDerWaalsContact CA-O 3.27Å; S22-Y32 WeakPolarHBondContact CA-O 3.39Å; V23-Y32 PolarHBondContact N-O 2.79Å; V23-Y32 PolarHBondContact O-N 3.29Å; D25-Y32 HydrophobicContact CB-CD2 4.36Å; D25-Y32 HydrophobicContact CB-CE2 3.93Å; A30-Y32 HydrophobicContact CB-CE2 3.99Å; Y32-Y52 CarbonylContact C-O 3.56Å; Y32-Y52 WeakPolarHBondContact CA-O 3.38Å; Y32-K53 HydrophobicContact CE1-CB 4.37Å; Y32-K53 HydrophobicContact CE1-CD 4.28Å; Y32-K53 HydrophobicContact CE1-CG 4.16Å; Y32-L64 HydrophobicContact CD1-CD1 3.75Å; Y32-L64 HydrophobicContact CE1-CD1 3.68Å; Y32-I78 HydrophobicContact CD2-CD1 4.36Å; Y32-Y110 HydrophobicContact CD1-CE1 4.46Å; Y32-Y110 HydrophobicContact CE1-CE1 4.33Å; Y32-L112 HydrophobicContact CD2-CD2 4.45Å; Y32-L112 HydrophobicContact CE1-CD2 4.34Å; Y32-L112 HydrophobicContact CE1-CG 4.02Å; Y32-L112 HydrophobicContact CE2-CD2 3.66Å; Y32-L112 HydrophobicContact CE2-CG 4.24Å |
| 33 | I | 95.9 | Very high | 85.8 | Confident | 23 Ų | 23 | 38.4 Ų | 38.4 | 12% | 0.118 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 118.4 | -176.7 | -57.3 | 79.2 | 0 | 0 | 0 | 108.7 | H20 S21 I31 L51 Y52 F54 W61 | H20-I33 HydrophobicContact CB-CG2 4.09Å; H20-I33 VanDerWaalsContact CD2-CG2 3.5Å; H20-I33 WeakPolarHBondContact CD2-CG2 2.99Å; S21-I33 WeakPolarHBondContact O-CA 3.21Å; I31-I33 HydrophobicContact CB-CD1 4.13Å; I31-I33 HydrophobicContact CG2-CD1 3.72Å; I31-I33 HydrophobicContact CG2-CG1 4.28Å; I31-I33 WeakPolarHBondContact O-CD1 3.33Å; I33-L51 WeakPolarHBondContact O-CA 3.44Å; I33-Y52 PolarHBondContact N-O 3.28Å; I33-Y52 PolarHBondContact O-N 3.01Å; I33-F54 HydrophobicContact CD1-CB 4.44Å; I33-W61 HydrophobicContact CD1-CH2 3.96Å; I33-W61 HydrophobicContact CD1-CZ3 3.61Å; I33-W61 HydrophobicContact CG1-CZ3 4.41Å |
| 34 | H | 95.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134.7 | -176.8 | -179 | 48.4 | 0 | 0 | 0 | 113 | H20 S21 G49 D50 L51 S67 H74 M83 W117 | H20-H34 WeakPolarHBondContact CA-O 3.35Å; H20-H34 WeakPolarHBondContact CB-O 3.15Å; S21-H34 PolarHBondContact N-O 2.87Å; S21-H34 VanDerWaalsContact N-O 3.13Å; S21-H34 PolarHBondContact O-N 3.23Å; H34-G49 PolarHBondContact CE1-O 2.96Å; H34-G49 VanDerWaalsContact CE1-O 3.31Å; H34-D50 PolarHBondContact ND1-O 3.36Å; H34-D50 VanDerWaalsContact ND1-O 3.16Å; H34-L51 HydrophobicContact CB-CD1 3.81Å; H34-S67 PolarHBondContact CE1-OG 3.06Å; H34-S67 VanDerWaalsContact CE1-OG 3.29Å; H34-H74 AromaticContact CD2-CE1 3.88Å; H34-H74 AromaticContact CD2-NE2 3.38Å; H34-H74 PolarHBondContact CD2-NE2 2.81Å; H34-H74 PolarHBondContact O-CE1 3.03Å; H34-H74 PolarHBondContact O-NE2 3.3Å; H34-M83 HydrophobicContact CB-CE 3.68Å; H34-W117 AromaticContact CD2-CH2 3.73Å; H34-W117 AromaticContact CE1-CH2 3.77Å; H34-W117 AromaticContact CE1-CZ2 3.82Å; H34-W117 AromaticContact CG-CH2 3.76Å; H34-W117 AromaticContact ND1-CH2 3.78Å; H34-W117 AromaticContact ND1-CZ2 3.7Å; H34-W117 AromaticContact NE2-CH2 3.75Å |
| 35 | G | 91.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | 63.7 | -141.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | H20 K38 A48 D50 | H20-G35 WeakPolarHBondContact CB-O 3.31Å; G35-K38 WeakPolarHBondContact O-CE 3.4Å; G35-A48 WeakPolarHBondContact CA-O 3.39Å; G35-D50 PolarHBondContact N-O 3.45Å | ||
| 36 | G | 89.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | 97.6 | -175.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y18 A48 R71 | Y18-G36 CarbonylContact O-C 3.6Å; Y18-G36 VanDerWaalsContact O-CA 3.31Å; Y18-G36 WeakPolarHBondContact O-CA 3.45Å; G36-A48 PolarHBondContact O-N 3.32Å; G36-R71 PolarHBondContact N-O 3.04Å | ||
| 37 | Y | 84.4 | Confident | 82.9 | Confident | 35 Ų | 35 | 39.2 Ų | 39.2 | 14% | 0.137 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 111.8 | 176.8 | -163.8 | -94.1 | 0 | 0 | 0 | 108.3 | G17 Y18 Y45 G46 L47 | G17-Y37 CarbonylContact C-O 3.56Å; G17-Y37 WeakPolarHBondContact CA-O 3.43Å; Y18-Y37 HydrophobicContact CD1-CD1 4.03Å; Y18-Y37 HydrophobicContact CD1-CG 4.29Å; Y18-Y37 AromaticContact CE1-CD1 3.27Å; Y18-Y37 HydrophobicContact CE1-CD1 3.27Å; Y18-Y37 HydrophobicContact CE1-CE1 4.21Å; Y18-Y37 AromaticContact CE1-CG 3.53Å; Y18-Y37 HydrophobicContact CE1-CG 3.53Å; Y18-Y37 AromaticContact CZ-CG 3.9Å; Y18-Y37 PolarHBondContact N-O 2.71Å; Y18-Y37 PolarHBondContact O-N 3.38Å; Y37-Y45 HydrophobicContact CE1-CG 4.22Å; Y37-G46 CarbonylContact C-O 3.59Å; Y37-G46 WeakPolarHBondContact CA-O 3.25Å; Y37-L47 HydrophobicContact CD2-CD2 3.74Å; Y37-L47 HydrophobicContact CD2-CG 4.2Å; Y37-L47 HydrophobicContact CE2-CD2 4.43Å |
| 38 | K | 83 | Confident | 83.1 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 3% | 0.03 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 148.8 | -168.5 | -63.7 | -168.8 | -179.4 | -176.9 | 0 | 111.7 | G35 F40 Y45 G46 A48 D50 | G35-K38 WeakPolarHBondContact O-CE 3.4Å; K38-F40 HydrophobicContact CB-CZ 4.48Å; K38-Y45 VanDerWaalsContact O-CA 3.27Å; K38-Y45 WeakPolarHBondContact O-CA 3.24Å; K38-G46 PolarHBondContact N-O 3.15Å; K38-G46 PolarHBondContact O-N 3.23Å; K38-A48 HydrophobicContact CB-CB 4.43Å; K38-A48 HydrophobicContact CD-CB 3.58Å; K38-A48 HydrophobicContact CG-CB 3.8Å; K38-D50 WeakPolarHBondContact CE-OD1 3.49Å; K38-D50 IonicContact NZ-OD1 3.31Å; K38-D50 PolarHBondContact NZ-OD1 2.76Å; K38-D50 IonicContact NZ-OD2 3.72Å; K38-D50 PolarHBondContact NZ-OD2 3.08Å |
| 39 | A | 77.3 | Confident | 83.2 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 110.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | G16 Y45 T281 | G16-A39 PolarHBondContact O-N 3.25Å; A39-Y45 HydrophobicContact CB-CD1 3.62Å; A39-Y45 HydrophobicContact CB-CE1 3.43Å; A39-Y45 VanDerWaalsContact CB-CE1 3.43Å; A39-T281 HydrophobicContact CB-CG2 4.19Å; A39-T281 WeakPolarHBondContact CB-OG1 3.27Å; A39-T281 VanDerWaalsContact O-CG2 3.32Å; A39-T281 WeakPolarHBondContact O-CG2 2.96Å |
| 40 | F | 73.7 | Confident | 83.2 | Confident | 83 Ų | 83 | 30.5 Ų | 30.5 | 36% | 0.364 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -84.8 | -35.5 | 174.7 | -63 | -74.8 | 0 | 0 | 0 | 111.2 | K38 K44 | K38-F40 HydrophobicContact CB-CZ 4.48Å; F40-K44 HydrophobicContact CB-CD 4.44Å; F40-K44 HydrophobicContact CB-CG 4.44Å; F40-K44 PolarHBondContact N-O 2.92Å |
| 41 | S | 70.2 | Confident | 83.2 | Confident | 32 Ų | 32 | 30.5 Ų | 30.5 | 22% | 0.224 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -142.9 | 177.3 | 166.6 | 74.9 | 0 | 0 | 0 | 0 | 109.3 | N43 K44 | S41-N43 PolarHBondContact O-N 3.29Å; S41-N43 VanDerWaalsContact O-N 3.14Å; S41-K44 PolarHBondContact N-O 3.29Å; S41-K44 VanDerWaalsContact N-O 3.16Å; S41-K44 PolarHBondContact O-N 3.05Å; S41-K44 VanDerWaalsContact OG-CB 3.23Å; S41-K44 WeakPolarHBondContact OG-CB 3.31Å; S41-K44 PolarHBondContact OG-N 3.31Å |
| 42 | A | 63.3 | Low | 83.1 | Confident | 10 Ų | 10 | 28.6 Ų | 28.6 | 8% | 0.083 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -57.6 | -28.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y45 W294 Q299 | A42-Y45 WeakPolarHBondContact O-CE2 3.03Å; A42-Y45 PolarHBondContact O-OH 3.16Å; A42-W294 HydrophobicContact CB-CH2 3.79Å; A42-W294 HydrophobicContact CB-CZ2 4.11Å; A42-Q299 HydrophobicContact CB-CB 3.64Å; A42-Q299 WeakPolarHBondContact CB-O 3.19Å |
| 43 | N | 64.1 | Low | 83.1 | Confident | 115 Ų | 115 | 30.5 Ų | 30.5 | 62% | 0.615 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -112.4 | -4.9 | -176.1 | -60.5 | -18.9 | 0 | 0 | 0 | 112.8 | S41 | S41-N43 PolarHBondContact O-N 3.29Å; S41-N43 VanDerWaalsContact O-N 3.14Å |
| 44 | K | 70.6 | Confident | 83.1 | Confident | 137 Ų | 137 | 30.8 Ų | 30.8 | 60% | 0.596 | 15% | 0.149 | S | C | * | . | trans | -119.2 | 110.8 | -177.6 | -169.5 | -179.9 | -179.2 | -176.6 | 0 | 110 | F40 S41 | F40-K44 HydrophobicContact CB-CD 4.44Å; F40-K44 HydrophobicContact CB-CG 4.44Å; F40-K44 PolarHBondContact N-O 2.92Å; S41-K44 PolarHBondContact N-O 3.29Å; S41-K44 VanDerWaalsContact N-O 3.16Å; S41-K44 PolarHBondContact O-N 3.05Å; S41-K44 VanDerWaalsContact OG-CB 3.23Å; S41-K44 WeakPolarHBondContact OG-CB 3.31Å; S41-K44 PolarHBondContact OG-N 3.31Å | ||
| 45 | Y | 75.4 | Confident | 83.1 | Confident | 85 Ų | 85 | 32.6 Ų | 32.6 | 33% | 0.333 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 153.2 | 173.6 | -54.5 | -98.4 | 0 | 0 | 0 | 109.5 | Y37 K38 A39 A42 | Y37-Y45 HydrophobicContact CE1-CG 4.22Å; K38-Y45 VanDerWaalsContact O-CA 3.27Å; K38-Y45 WeakPolarHBondContact O-CA 3.24Å; A39-Y45 HydrophobicContact CB-CD1 3.62Å; A39-Y45 HydrophobicContact CB-CE1 3.43Å; A39-Y45 VanDerWaalsContact CB-CE1 3.43Å; A42-Y45 WeakPolarHBondContact O-CE2 3.03Å; A42-Y45 PolarHBondContact O-OH 3.16Å |
| 46 | G | 78.2 | Confident | 83.2 | Confident | 6 Ų | 6 | 35 Ų | 35 | 6% | 0.062 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | 169.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y37 K38 | Y37-G46 CarbonylContact C-O 3.59Å; Y37-G46 WeakPolarHBondContact CA-O 3.25Å; K38-G46 PolarHBondContact N-O 3.15Å; K38-G46 PolarHBondContact O-N 3.23Å |
| 47 | L | 83.8 | Confident | 83.2 | Confident | 14 Ų | 14 | 39.9 Ų | 39.9 | 7% | 0.073 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 141.1 | 172.2 | -61.3 | 172.5 | 0 | 0 | 0 | 110.3 | Y37 F70 Y72 T90 N92 | Y37-L47 HydrophobicContact CD2-CD2 3.74Å; Y37-L47 HydrophobicContact CD2-CG 4.2Å; Y37-L47 HydrophobicContact CE2-CD2 4.43Å; L47-F70 HydrophobicContact CB-CB 3.61Å; L47-F70 HydrophobicContact CD1-CB 4.49Å; L47-F70 WeakPolarHBondContact O-CD1 3.42Å; L47-Y72 HydrophobicContact CD2-CD1 3.16Å; L47-Y72 HydrophobicContact CD2-CE1 3.76Å; L47-Y72 HydrophobicContact CD2-CG 3.95Å; L47-T90 WeakPolarHBondContact CD1-O 3.06Å; L47-N92 HydrophobicContact CD1-CB 4.17Å |
| 48 | A | 86.8 | Confident | 83.6 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | trans | -112.5 | 144.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G35 G36 K38 D50 R71 | G35-A48 WeakPolarHBondContact CA-O 3.39Å; G36-A48 PolarHBondContact O-N 3.32Å; K38-A48 HydrophobicContact CB-CB 4.43Å; K38-A48 HydrophobicContact CD-CB 3.58Å; K38-A48 HydrophobicContact CG-CB 3.8Å; A48-D50 WeakPolarHBondContact CB-OD1 3.43Å; A48-R71 PolarHBondContact O-N 2.03Å | ||
| 49 | G | 88.1 | Confident | 84.1 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | trans | -109.9 | 2.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | H34 D66 S67 F70 | H34-G49 PolarHBondContact CE1-O 2.96Å; H34-G49 VanDerWaalsContact CE1-O 3.31Å; G49-D66 VanDerWaalsContact C-CG 3.47Å; G49-S67 PolarHBondContact O-N 3.34Å; G49-S67 PolarHBondContact O-OG 3.08Å; G49-F70 VanDerWaalsContact N-CD1 3.33Å | ||
| 50 | D | 90.1 | Very high | 84.8 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | trans | -72.1 | 152.6 | -172.9 | 54.6 | -0.3 | 0 | 0 | 0 | 111.6 | H34 G35 K38 A48 Y52 D66 | H34-D50 PolarHBondContact ND1-O 3.36Å; H34-D50 VanDerWaalsContact ND1-O 3.16Å; G35-D50 PolarHBondContact N-O 3.45Å; K38-D50 WeakPolarHBondContact CE-OD1 3.49Å; K38-D50 IonicContact NZ-OD1 3.31Å; K38-D50 PolarHBondContact NZ-OD1 2.76Å; K38-D50 IonicContact NZ-OD2 3.72Å; K38-D50 PolarHBondContact NZ-OD2 3.08Å; A48-D50 WeakPolarHBondContact CB-OD1 3.43Å; D50-Y52 HydrophobicContact CB-CE2 3.97Å; D50-Y52 VanDerWaalsContact CG-CE2 3.43Å; D50-Y52 WeakPolarHBondContact OD2-CE2 3.43Å; D50-Y52 VanDerWaalsContact OD2-CZ 3.3Å; D50-Y52 PolarHBondContact OD2-OH 3.02Å; D50-D66 WeakPolarHBondContact CA-OD2 3.35Å; D50-D66 PolarHBondContact N-OD2 2.74Å; D50-D66 VanDerWaalsContact N-OD2 3.08Å | ||
| 51 | L | 93.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.9 | 178.2 | -178.9 | 67.9 | 0 | 0 | 0 | 108.6 | I33 H34 L64 M83 Y110 W117 | I33-L51 WeakPolarHBondContact O-CA 3.44Å; H34-L51 HydrophobicContact CB-CD1 3.81Å; L51-L64 HydrophobicContact CB-CB 4.08Å; L51-L64 HydrophobicContact CD2-CB 3.82Å; L51-L64 HydrophobicContact CD2-CD1 3.68Å; L51-L64 HydrophobicContact CD2-CG 4.41Å; L51-L64 HydrophobicContact CG-CB 3.94Å; L51-L64 HydrophobicContact CG-CD1 3.84Å; L51-L64 HydrophobicContact CG-CG 4.46Å; L51-L64 PolarHBondContact O-N 2.6Å; L51-M83 HydrophobicContact CD1-SD 4.08Å; L51-Y110 HydrophobicContact CD2-CD1 3.69Å; L51-Y110 HydrophobicContact CD2-CD2 3.72Å; L51-Y110 HydrophobicContact CD2-CE1 3.43Å; L51-Y110 VanDerWaalsContact CD2-CE1 3.43Å; L51-Y110 HydrophobicContact CD2-CE2 3.44Å; L51-Y110 VanDerWaalsContact CD2-CE2 3.44Å; L51-Y110 HydrophobicContact CD2-CG 3.82Å; L51-W117 HydrophobicContact CB-CZ2 4.24Å; L51-W117 HydrophobicContact CD1-CZ2 4.32Å; L51-W117 HydrophobicContact CD2-CZ2 3.88Å; L51-W117 HydrophobicContact CG-CZ2 4.38Å |
| 52 | Y | 94.9 | Very high | 86.9 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 145 | 174.2 | -61.4 | -96.1 | 0 | 0 | 0 | 110.2 | V14 Y32 I33 D50 I63 | V14-Y52 HydrophobicContact CB-CE1 4.43Å; V14-Y52 HydrophobicContact CG1-CD1 4.36Å; V14-Y52 HydrophobicContact CG1-CE1 4.28Å; V14-Y52 HydrophobicContact CG2-CD1 3.8Å; V14-Y52 HydrophobicContact CG2-CE1 4.01Å; V14-Y52 HydrophobicContact CG2-CG 4.48Å; Y32-Y52 CarbonylContact C-O 3.56Å; Y32-Y52 WeakPolarHBondContact CA-O 3.38Å; I33-Y52 PolarHBondContact N-O 3.28Å; I33-Y52 PolarHBondContact O-N 3.01Å; D50-Y52 HydrophobicContact CB-CE2 3.97Å; D50-Y52 VanDerWaalsContact CG-CE2 3.43Å; D50-Y52 WeakPolarHBondContact OD2-CE2 3.43Å; D50-Y52 VanDerWaalsContact OD2-CZ 3.3Å; D50-Y52 PolarHBondContact OD2-OH 3.02Å; Y52-I63 HydrophobicContact CD1-CG1 3.92Å; Y52-I63 HydrophobicContact CE1-CD1 4.3Å; Y52-I63 HydrophobicContact CE1-CG1 3.62Å |
| 53 | K | 95.4 | Very high | 88.3 | Confident | 46 Ų | 46 | 51 Ų | 51 | 20% | 0.2 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.4 | 165.7 | -177.1 | -176.5 | 178 | -173.6 | 0 | 109 | A30 I31 Y32 W61 T62 L64 | A30-K53 HydrophobicContact CB-CD 4.36Å; A30-K53 HydrophobicContact CB-CG 3.84Å; I31-K53 WeakPolarHBondContact O-CA 3.34Å; Y32-K53 HydrophobicContact CE1-CB 4.37Å; Y32-K53 HydrophobicContact CE1-CD 4.28Å; Y32-K53 HydrophobicContact CE1-CG 4.16Å; K53-W61 WeakPolarHBondContact O-CA 3.44Å; K53-T62 PolarHBondContact N-O 2.97Å; K53-T62 PolarHBondContact O-N 3.11Å; K53-L64 HydrophobicContact CB-CD1 3.69Å; K53-L64 HydrophobicContact CB-CD2 4.41Å; K53-L64 HydrophobicContact CB-CG 4.04Å |
| 54 | F | 96.3 | Very high | 89.7 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 109.6 | 170.1 | -177.2 | -115.3 | 0 | 0 | 0 | 110 | T9 A30 I31 I33 V56 R59 W61 | T9-F54 HydrophobicContact CG2-CE2 3.63Å; T9-F54 HydrophobicContact CG2-CZ 3.99Å; A30-F54 CarbonylContact C-O 3.46Å; A30-F54 VanDerWaalsContact CA-O 3.22Å; A30-F54 WeakPolarHBondContact CA-O 3.27Å; I31-F54 HydrophobicContact CB-CB 4.32Å; I31-F54 HydrophobicContact CD1-CD1 4.15Å; I31-F54 PolarHBondContact N-O 2.99Å; I31-F54 PolarHBondContact O-N 2.78Å; I33-F54 HydrophobicContact CD1-CB 4.44Å; F54-V56 HydrophobicContact CD1-CG2 4.23Å; F54-V56 HydrophobicContact CE1-CG2 4.41Å; F54-V56 PolarHBondContact O-N 3.18Å; F54-R59 HydrophobicContact CE2-CB 4.46Å; F54-R59 HydrophobicContact CZ-CB 4.33Å; F54-W61 HydrophobicContact CB-CD2 4.06Å; F54-W61 HydrophobicContact CB-CE3 3.71Å; F54-W61 HydrophobicContact CB-CH2 3.83Å; F54-W61 HydrophobicContact CB-CZ2 4.13Å; F54-W61 HydrophobicContact CB-CZ3 3.64Å; F54-W61 AromaticContact CD2-CD1 3.86Å; F54-W61 AromaticContact CD2-CD2 3.49Å; F54-W61 HydrophobicContact CD2-CD2 3.49Å; F54-W61 VanDerWaalsContact CD2-CD2 3.49Å; F54-W61 AromaticContact CD2-CE2 3.26Å; F54-W61 HydrophobicContact CD2-CE3 4.07Å; F54-W61 AromaticContact CD2-CG 3.88Å; F54-W61 HydrophobicContact CD2-CG 3.88Å; F54-W61 HydrophobicContact CD2-CH2 4.25Å; F54-W61 AromaticContact CD2-CZ2 3.67Å; F54-W61 HydrophobicContact CD2-CZ2 3.67Å; F54-W61 HydrophobicContact CD2-CZ3 4.44Å; F54-W61 AromaticContact CD2-NE1 3.49Å; F54-W61 HydrophobicContact CE2-CD2 4.34Å; F54-W61 AromaticContact CE2-CE2 3.79Å; F54-W61 HydrophobicContact CE2-CG 4.49Å; F54-W61 HydrophobicContact CE2-CZ2 4.22Å; F54-W61 AromaticContact CE2-NE1 3.57Å; F54-W61 HydrophobicContact CG-CD2 4.15Å; F54-W61 AromaticContact CG-CE2 3.95Å; F54-W61 HydrophobicContact CG-CE3 4.3Å; F54-W61 HydrophobicContact CG-CH2 4.1Å; F54-W61 AromaticContact CG-CZ2 3.91Å; F54-W61 HydrophobicContact CG-CZ2 3.91Å; F54-W61 HydrophobicContact CG-CZ3 4.31Å |
| 55 | E | 94.6 | Very high | 90.5 | Very high | 39 Ų | 39 | 42.8 Ų | 42.8 | 18% | 0.182 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 111.8 | 173.4 | -72.1 | 178.7 | -104.9 | 0 | 0 | 109.4 | D57 K58 R59 K60 | E55-D57 PolarHBondContact O-N 3.48Å; E55-K58 HydrophobicContact CB-CB 4.27Å; E55-K58 PolarHBondContact O-N 3.03Å; E55-K58 WeakPolarHBondContact OE2-CD 3.42Å; E55-K58 WeakPolarHBondContact OE2-CE 3.24Å; E55-K58 IonicContact OE2-NZ 3.89Å; E55-K58 PolarHBondContact OE2-NZ 3.26Å; E55-R59 VanDerWaalsContact O-CA 3.29Å; E55-R59 WeakPolarHBondContact O-CA 3.38Å; E55-R59 PolarHBondContact O-N 2.96Å; E55-K60 PolarHBondContact N-O 3.4Å; E55-K60 PolarHBondContact O-N 3.25Å |
| 56 | V | 92.8 | Very high | 91 | Very high | 50 Ų | 50 | 40.9 Ų | 40.9 | 30% | 0.303 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -40.2 | -170.4 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | F24 R29 I31 F54 | F24-V56 HydrophobicContact CE2-CG2 4.18Å; R29-V56 WeakPolarHBondContact O-CB 3.28Å; R29-V56 WeakPolarHBondContact O-CG2 3.22Å; R29-V56 PolarHBondContact O-N 3.35Å; R29-V56 VanDerWaalsContact O-N 3.15Å; I31-V56 HydrophobicContact CD1-CG2 4.11Å; I31-V56 HydrophobicContact CG1-CG2 3.95Å; F54-V56 HydrophobicContact CD1-CG2 4.23Å; F54-V56 HydrophobicContact CE1-CG2 4.41Å; F54-V56 PolarHBondContact O-N 3.18Å |
| 57 | D | 91.3 | Very high | 91.4 | Very high | 102 Ų | 102 | 41 Ų | 41 | 55% | 0.545 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -38.3 | -175.8 | -59.1 | -42.5 | 0 | 0 | 0 | 112.3 | R29 E55 | R29-D57 VanDerWaalsContact CD-OD2 3.28Å; R29-D57 WeakPolarHBondContact CD-OD2 3.19Å; R29-D57 IonicContact CZ-OD1 3.32Å; R29-D57 VanDerWaalsContact CZ-OD1 3.32Å; R29-D57 IonicContact CZ-OD2 3.76Å; R29-D57 VanDerWaalsContact NE-CG 3.31Å; R29-D57 IonicContact NE-OD1 3.08Å; R29-D57 PolarHBondContact NE-OD1 2.02Å; R29-D57 VanDerWaalsContact NE-OD1 3.08Å; R29-D57 IonicContact NE-OD2 2.76Å; R29-D57 PolarHBondContact NE-OD2 3.29Å; R29-D57 IonicContact NH2-OD1 2.74Å; R29-D57 PolarHBondContact NH2-OD1 3.1Å; R29-D57 IonicContact NH2-OD2 3.93Å; E55-D57 PolarHBondContact O-N 3.48Å |
| 58 | K | 91.3 | Very high | 91.4 | Very high | 137 Ų | 137 | 42.7 Ų | 42.7 | 60% | 0.596 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -14.7 | 177.8 | -62.5 | -178.4 | -167.7 | 150 | 0 | 113.4 | E55 K60 | E55-K58 HydrophobicContact CB-CB 4.27Å; E55-K58 PolarHBondContact O-N 3.03Å; E55-K58 WeakPolarHBondContact OE2-CD 3.42Å; E55-K58 WeakPolarHBondContact OE2-CE 3.24Å; E55-K58 IonicContact OE2-NZ 3.89Å; E55-K58 PolarHBondContact OE2-NZ 3.26Å; K58-K60 HydrophobicContact CB-CB 4.14Å; K58-K60 PolarHBondContact O-N 3.27Å |
| 59 | R | 93.1 | Very high | 91.3 | Very high | 135 Ų | 135 | 46.1 Ų | 46.1 | 51% | 0.509 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 36.4 | -172.7 | -55 | 168.2 | -178.6 | -176.1 | 5.1 | 112.3 | V7 T9 D10 F54 E55 | V7-R59 VanDerWaalsContact CG1-CD 3.48Å; V7-R59 HydrophobicContact CG1-CG 3.98Å; T9-R59 CarbonylContact C-O 3.28Å; T9-R59 WeakPolarHBondContact CA-O 3.45Å; T9-R59 VanDerWaalsContact CB-O 3.3Å; T9-R59 WeakPolarHBondContact CB-O 3.49Å; T9-R59 HydrophobicContact CG2-CB 4.48Å; D10-R59 PolarHBondContact N-O 3.42Å; F54-R59 HydrophobicContact CE2-CB 4.46Å; F54-R59 HydrophobicContact CZ-CB 4.33Å; E55-R59 VanDerWaalsContact O-CA 3.29Å; E55-R59 WeakPolarHBondContact O-CA 3.38Å; E55-R59 PolarHBondContact O-N 2.96Å |
| 60 | K | 93.2 | Very high | 91.3 | Very high | 61 Ų | 61 | 51.2 Ų | 51.2 | 27% | 0.265 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 132.6 | -174.9 | -169.6 | 174.5 | -178.8 | 175 | 0 | 110.9 | D10 E55 K58 | D10-K60 CarbonylContact O-C 3.56Å; D10-K60 WeakPolarHBondContact O-CA 2.92Å; E55-K60 PolarHBondContact N-O 3.4Å; E55-K60 PolarHBondContact O-N 3.25Å; K58-K60 HydrophobicContact CB-CB 4.14Å; K58-K60 PolarHBondContact O-N 3.27Å |
| 61 | W | 94.6 | Very high | 91.2 | Very high | 47 Ų | 47 | 50.2 Ų | 50.2 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 136.9 | 172.3 | -68.9 | 100.2 | 0 | 0 | 0 | 111 | T9 D10 G11 A12 V14 I33 K53 F54 | T9-W61 PolarHBondContact OG1-NE1 3.18Å; D10-W61 PolarHBondContact O-N 3.15Å; G11-W61 WeakPolarHBondContact CA-O 3.44Å; A12-W61 HydrophobicContact CB-CB 4.27Å; A12-W61 PolarHBondContact N-O 3.01Å; A12-W61 WeakPolarHBondContact O-CB 3.12Å; V14-W61 HydrophobicContact CG2-CB 4.06Å; V14-W61 HydrophobicContact CG2-CD2 3.38Å; V14-W61 HydrophobicContact CG2-CE3 3.48Å; V14-W61 VanDerWaalsContact CG2-CE3 3.48Å; V14-W61 HydrophobicContact CG2-CG 3.64Å; V14-W61 HydrophobicContact CG2-CH2 4.45Å; V14-W61 HydrophobicContact CG2-CZ2 4.4Å; V14-W61 HydrophobicContact CG2-CZ3 3.99Å; I33-W61 HydrophobicContact CD1-CH2 3.96Å; I33-W61 HydrophobicContact CD1-CZ3 3.61Å; I33-W61 HydrophobicContact CG1-CZ3 4.41Å; K53-W61 WeakPolarHBondContact O-CA 3.44Å; F54-W61 HydrophobicContact CB-CD2 4.06Å; F54-W61 HydrophobicContact CB-CE3 3.71Å; F54-W61 HydrophobicContact CB-CH2 3.83Å; F54-W61 HydrophobicContact CB-CZ2 4.13Å; F54-W61 HydrophobicContact CB-CZ3 3.64Å; F54-W61 AromaticContact CD2-CD1 3.86Å; F54-W61 AromaticContact CD2-CD2 3.49Å; F54-W61 HydrophobicContact CD2-CD2 3.49Å; F54-W61 VanDerWaalsContact CD2-CD2 3.49Å; F54-W61 AromaticContact CD2-CE2 3.26Å; F54-W61 HydrophobicContact CD2-CE3 4.07Å; F54-W61 AromaticContact CD2-CG 3.88Å; F54-W61 HydrophobicContact CD2-CG 3.88Å; F54-W61 HydrophobicContact CD2-CH2 4.25Å; F54-W61 AromaticContact CD2-CZ2 3.67Å; F54-W61 HydrophobicContact CD2-CZ2 3.67Å; F54-W61 HydrophobicContact CD2-CZ3 4.44Å; F54-W61 AromaticContact CD2-NE1 3.49Å; F54-W61 HydrophobicContact CE2-CD2 4.34Å; F54-W61 AromaticContact CE2-CE2 3.79Å; F54-W61 HydrophobicContact CE2-CG 4.49Å; F54-W61 HydrophobicContact CE2-CZ2 4.22Å; F54-W61 AromaticContact CE2-NE1 3.57Å; F54-W61 HydrophobicContact CG-CD2 4.15Å; F54-W61 AromaticContact CG-CE2 3.95Å; F54-W61 HydrophobicContact CG-CE3 4.3Å; F54-W61 HydrophobicContact CG-CH2 4.1Å; F54-W61 AromaticContact CG-CZ2 3.91Å; F54-W61 HydrophobicContact CG-CZ2 3.91Å; F54-W61 HydrophobicContact CG-CZ3 4.31Å |
| 62 | T | 93.9 | Very high | 91 | Very high | 23 Ų | 23 | 51 Ų | 51 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135 | 175.4 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | K53 A236 | K53-T62 PolarHBondContact N-O 2.97Å; K53-T62 PolarHBondContact O-N 3.11Å; T62-A236 WeakPolarHBondContact CA-O 3.41Å |
| 63 | I | 92.7 | Very high | 90.8 | Very high | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 127.2 | 174.1 | -61.2 | 162 | 0 | 0 | 0 | 108.9 | A12 Y52 Y228 A236 N237 T238 | A12-I63 HydrophobicContact CB-CD1 3.77Å; A12-I63 HydrophobicContact CB-CG1 3.64Å; Y52-I63 HydrophobicContact CD1-CG1 3.92Å; Y52-I63 HydrophobicContact CE1-CD1 4.3Å; Y52-I63 HydrophobicContact CE1-CG1 3.62Å; I63-Y228 HydrophobicContact CD1-CD1 4.2Å; I63-Y228 HydrophobicContact CD1-CE1 3.72Å; I63-Y228 HydrophobicContact CG2-CE1 4.34Å; I63-Y228 WeakPolarHBondContact CG2-OH 2.83Å; I63-A236 PolarHBondContact N-O 3.43Å; I63-N237 HydrophobicContact CB-CB 3.9Å; I63-N237 HydrophobicContact CG2-CB 4.5Å; I63-N237 CarbonylContact O-C 3.5Å; I63-N237 WeakPolarHBondContact O-CA 3.27Å; I63-T238 PolarHBondContact O-N 3.46Å; I63-T238 PolarHBondContact O-OG1 2.74Å |
| 64 | L | 92.3 | Very high | 90.7 | Very high | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 177.8 | 178.2 | -63.2 | 175.9 | 0 | 0 | 0 | 110.7 | Y32 L51 K53 D66 Y110 T238 | Y32-L64 HydrophobicContact CD1-CD1 3.75Å; Y32-L64 HydrophobicContact CE1-CD1 3.68Å; L51-L64 HydrophobicContact CB-CB 4.08Å; L51-L64 HydrophobicContact CD2-CB 3.82Å; L51-L64 HydrophobicContact CD2-CD1 3.68Å; L51-L64 HydrophobicContact CD2-CG 4.41Å; L51-L64 HydrophobicContact CG-CB 3.94Å; L51-L64 HydrophobicContact CG-CD1 3.84Å; L51-L64 HydrophobicContact CG-CG 4.46Å; L51-L64 PolarHBondContact O-N 2.6Å; K53-L64 HydrophobicContact CB-CD1 3.69Å; K53-L64 HydrophobicContact CB-CD2 4.41Å; K53-L64 HydrophobicContact CB-CG 4.04Å; L64-D66 PolarHBondContact O-N 3.27Å; L64-Y110 HydrophobicContact CD1-CE1 4.31Å; L64-Y110 WeakPolarHBondContact CD1-OH 3.08Å; L64-T238 WeakPolarHBondContact CA-OG1 3.24Å; L64-T238 HydrophobicContact CD2-CG2 3.79Å |
| 65 | R | 88.2 | Confident | 90.7 | Very high | 68 Ų | 68 | 49.5 Ų | 49.5 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | trans | -62.2 | 129.4 | 179.3 | -163.5 | 161.3 | 114.1 | -171.8 | 3.2 | 110.9 | D115 E116 W117 | R65-D115 WeakPolarHBondContact CB-O 3.47Å; R65-D115 WeakPolarHBondContact CB-OD1 3.37Å; R65-D115 VanDerWaalsContact CD-O 3.29Å; R65-D115 WeakPolarHBondContact CD-O 3.49Å; R65-D115 PolarHBondContact N-OD1 3.05Å; R65-D115 PolarHBondContact N-OD2 3.18Å; R65-E116 IonicContact CZ-OE1 2.71Å; R65-E116 IonicContact NH1-OE1 3.38Å; R65-E116 IonicContact NH2-OE1 2.67Å; R65-E116 PolarHBondContact NH2-OE1 3.5Å; R65-W117 PolarHBondContact O-NE1 2.95Å | ||
| 66 | D | 85.4 | Confident | 90.7 | Very high | 44 Ų | 44 | 48.2 Ų | 48.2 | 24% | 0.235 | 24% | 0.237 | C | C | . | . | trans | -65.8 | 145.6 | 178.2 | -169.3 | -75.7 | 0 | 0 | 0 | 110.7 | G49 D50 L64 G68 | G49-D66 VanDerWaalsContact C-CG 3.47Å; D50-D66 WeakPolarHBondContact CA-OD2 3.35Å; D50-D66 PolarHBondContact N-OD2 2.74Å; D50-D66 VanDerWaalsContact N-OD2 3.08Å; L64-D66 PolarHBondContact O-N 3.27Å; D66-G68 VanDerWaalsContact C-N 3.32Å; D66-G68 WeakPolarHBondContact OD1-CA 3.26Å; D66-G68 PolarHBondContact OD1-N 3.45Å | ||
| 67 | S | 86.5 | Confident | 90.8 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | trans | -72.9 | -25.5 | -179.3 | 74.5 | 0 | 0 | 0 | 0 | 113.4 | H34 G49 F69 W117 | H34-S67 PolarHBondContact CE1-OG 3.06Å; H34-S67 VanDerWaalsContact CE1-OG 3.29Å; G49-S67 PolarHBondContact O-N 3.34Å; G49-S67 PolarHBondContact O-OG 3.08Å; S67-F69 WeakPolarHBondContact O-CD2 3.29Å; S67-F69 WeakPolarHBondContact O-CE2 3.22Å; S67-F69 PolarHBondContact O-N 2.83Å; S67-F69 WeakPolarHBondContact OG-CA 3.34Å; S67-F69 PolarHBondContact OG-N 2.77Å; S67-F69 PolarHBondContact OG-O 2.86Å; S67-W117 VanDerWaalsContact CA-CD1 3.47Å; S67-W117 VanDerWaalsContact CB-CE2 3.44Å | ||
| 68 | G | 83.1 | Confident | 90.8 | Very high | 49 Ų | 49 | 42.9 Ų | 42.9 | 51% | 0.505 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 71.6 | -0.3 | -164.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D66 | D66-G68 VanDerWaalsContact C-N 3.32Å; D66-G68 WeakPolarHBondContact OD1-CA 3.26Å; D66-G68 PolarHBondContact OD1-N 3.45Å |
| 69 | F | 85.2 | Confident | 90.7 | Very high | 75 Ų | 75 | 36.4 Ų | 36.4 | 33% | 0.329 | 18% | 0.178 | S | C | . | . | trans | -116.6 | 87.8 | -175.8 | -64.3 | -78.5 | 0 | 0 | 0 | 111 | S67 R71 L108 V119 | S67-F69 WeakPolarHBondContact O-CD2 3.29Å; S67-F69 WeakPolarHBondContact O-CE2 3.22Å; S67-F69 PolarHBondContact O-N 2.83Å; S67-F69 WeakPolarHBondContact OG-CA 3.34Å; S67-F69 PolarHBondContact OG-N 2.77Å; S67-F69 PolarHBondContact OG-O 2.86Å; F69-R71 PolarHBondContact O-N 3.15Å; F69-R71 PolarHBondContact O-NE 2.85Å; F69-L108 HydrophobicContact CB-CD1 3.93Å; F69-L108 HydrophobicContact CD2-CD1 3.98Å; F69-L108 HydrophobicContact CD2-CD2 3.96Å; F69-L108 HydrophobicContact CE2-CD2 4.06Å; F69-L108 HydrophobicContact CG-CD1 4.08Å; F69-L108 HydrophobicContact CG-CD2 4.31Å; F69-L108 HydrophobicContact CZ-CD2 4.46Å; F69-V119 HydrophobicContact CE1-CG2 4.36Å; F69-V119 HydrophobicContact CE2-CG2 3.8Å; F69-V119 HydrophobicContact CZ-CG2 3.47Å; F69-V119 VanDerWaalsContact CZ-CG2 3.47Å | ||
| 70 | F | 87.7 | Confident | 90.2 | Very high | 107 Ų | 107 | 32 Ų | 32 | 47% | 0.469 | 17% | 0.168 | S | C | . | . | trans | -68.2 | 123.3 | -178.8 | -51.1 | -87.7 | 0 | 0 | 0 | 112.1 | L47 G49 | L47-F70 HydrophobicContact CB-CB 3.61Å; L47-F70 HydrophobicContact CD1-CB 4.49Å; L47-F70 WeakPolarHBondContact O-CD1 3.42Å; G49-F70 VanDerWaalsContact N-CD1 3.33Å | ||
| 71 | R | 88.5 | Confident | 89.7 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | trans | -160.4 | 156.4 | -175.2 | 59.6 | -175.4 | 68.3 | -143.1 | -4.4 | 113.7 | G36 A48 F69 G87 N89 T90 D106 | G36-R71 PolarHBondContact N-O 3.04Å; A48-R71 PolarHBondContact O-N 2.03Å; F69-R71 PolarHBondContact O-N 3.15Å; F69-R71 PolarHBondContact O-NE 2.85Å; R71-G87 PolarHBondContact NH1-O 3.18Å; R71-N89 VanDerWaalsContact CA-O 3.3Å; R71-N89 WeakPolarHBondContact CA-O 3.26Å; R71-T90 HydrophobicContact CB-CG2 4.22Å; R71-D106 IonicContact CZ-OD2 2.85Å; R71-D106 IonicContact NH1-OD2 3.93Å; R71-D106 IonicContact NH2-OD2 3.84Å; R71-D106 PolarHBondContact NH2-OD2 2.88Å | ||
| 72 | Y | 89.9 | Confident | 89.4 | Confident | 15 Ų | 15 | 27.1 Ų | 27.1 | 6% | 0.059 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -139.6 | 164.5 | 171.3 | 77 | -63.6 | 0 | 0 | 0 | 111.3 | Y18 G19 L47 H74 G88 N89 | Y18-Y72 HydrophobicContact CD2-CD2 4.33Å; Y18-Y72 AromaticContact CE2-CD2 3.42Å; Y18-Y72 HydrophobicContact CE2-CD2 3.42Å; Y18-Y72 VanDerWaalsContact CE2-CD2 3.42Å; Y18-Y72 AromaticContact CE2-CE2 3.59Å; Y18-Y72 HydrophobicContact CE2-CE2 3.59Å; Y18-Y72 AromaticContact CZ-CD2 3.77Å; Y18-Y72 AromaticContact CZ-CE2 3.74Å; Y18-Y72 WeakPolarHBondContact OH-CE2 3.47Å; G19-Y72 CarbonylContact O-C 3.57Å; G19-Y72 WeakPolarHBondContact O-CA 3.16Å; L47-Y72 HydrophobicContact CD2-CD1 3.16Å; L47-Y72 HydrophobicContact CD2-CE1 3.76Å; L47-Y72 HydrophobicContact CD2-CG 3.95Å; Y72-H74 PolarHBondContact O-N 3.2Å; Y72-G88 WeakPolarHBondContact O-CA 3.38Å; Y72-N89 HydrophobicContact CD1-CB 3.78Å; Y72-N89 VanDerWaalsContact CD1-O 3.31Å; Y72-N89 WeakPolarHBondContact CD1-O 3.47Å; Y72-N89 HydrophobicContact CE1-CB 3.4Å; Y72-N89 PolarHBondContact N-O 3.45Å; Y72-N89 VanDerWaalsContact N-O 3.09Å; Y72-N89 PolarHBondContact O-N 3.29Å; Y72-N89 PolarHBondContact OH-ND2 2.84Å; Y72-N89 VanDerWaalsContact OH-ND2 3.11Å |
| 73 | L | 90.8 | Very high | 89.4 | Confident | 33 Ų | 33 | 26 Ų | 26 | 17% | 0.173 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 53.8 | 34.8 | -174.2 | -60.6 | 171.5 | 0 | 0 | 0 | 112.9 | G19 F132 G133 P490 | G19-L73 PolarHBondContact O-N 3.22Å; L73-F132 HydrophobicContact CB-CB 4.22Å; L73-F132 HydrophobicContact CB-CD2 3.95Å; L73-F132 HydrophobicContact CD1-CD2 3.63Å; L73-F132 HydrophobicContact CD1-CE2 3.87Å; L73-F132 HydrophobicContact CG-CD2 4.45Å; L73-G133 PolarHBondContact O-N 2.93Å; L73-P490 HydrophobicContact CD1-CB 3.67Å |
| 74 | H | 93.4 | Very high | 89.5 | Confident | 10 Ų | 10 | 25.7 Ų | 25.7 | 5% | 0.046 | 14% | 0.142 | C | C | . | . | trans | -93.6 | 166.2 | 168.2 | 62.5 | -84.2 | 0 | 0 | 0 | 109.4 | S21 H34 Y72 V85 G87 | S21-H74 WeakPolarHBondContact CB-NE2 3.41Å; S21-H74 PolarHBondContact OG-CD2 3.37Å; S21-H74 VanDerWaalsContact OG-CD2 3.24Å; S21-H74 PolarHBondContact OG-NE2 2.89Å; H34-H74 AromaticContact CD2-CE1 3.88Å; H34-H74 AromaticContact CD2-NE2 3.38Å; H34-H74 PolarHBondContact CD2-NE2 2.81Å; H34-H74 PolarHBondContact O-CE1 3.03Å; H34-H74 PolarHBondContact O-NE2 3.3Å; Y72-H74 PolarHBondContact O-N 3.2Å; H74-V85 HydrophobicContact CB-CG1 4.3Å; H74-V85 VanDerWaalsContact CD2-CG1 3.44Å; H74-V85 WeakPolarHBondContact CD2-CG1 3.44Å; H74-G87 WeakPolarHBondContact CB-O 3.42Å | ||
| 75 | T | 95.3 | Very high | 89.6 | Confident | 13 Ų | 13 | 25.1 Ų | 25.1 | 8% | 0.08 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 156.8 | 172.1 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | V85 F86 H134 A136 | T75-V85 WeakPolarHBondContact O-CA 3.38Å; T75-F86 PolarHBondContact N-O 3.49Å; T75-F86 PolarHBondContact O-N 2.77Å; T75-H134 WeakPolarHBondContact CG2-CD2 3.25Å; T75-H134 WeakPolarHBondContact CG2-NE2 2.99Å; T75-H134 WeakPolarHBondContact CG2-O 3.35Å; T75-H134 PolarHBondContact OG1-CD2 3.31Å; T75-H134 PolarHBondContact OG1-NE2 3.27Å; T75-A136 HydrophobicContact CG2-CB 3.99Å; T75-A136 VanDerWaalsContact OG1-CB 3.24Å; T75-A136 WeakPolarHBondContact OG1-CB 3.45Å |
| 76 | A | 95.8 | Very high | 89.8 | Confident | 13 Ų | 13 | 22.3 Ų | 22.3 | 11% | 0.107 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S21 V23 M83 L84 V85 | S21-A76 WeakPolarHBondContact OG-CB 3.01Å; V23-A76 VanDerWaalsContact CG1-C 3.42Å; V23-A76 HydrophobicContact CG1-CB 3.76Å; V23-A76 WeakPolarHBondContact CG1-O 3.31Å; A76-M83 HydrophobicContact CB-CE 3.34Å; A76-M83 HydrophobicContact CB-CG 4.27Å; A76-L84 CarbonylContact C-O 3.52Å; A76-L84 WeakPolarHBondContact CA-O 3.42Å; A76-L84 WeakPolarHBondContact CB-O 3.22Å; A76-V85 HydrophobicContact CB-CG2 3.92Å |
| 77 | V | 94.8 | Very high | 90.1 | Very high | 9 Ų | 9 | 20.2 Ų | 20.2 | 6% | 0.055 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 155.6 | 172.4 | -63.1 | 0 | 0 | 0 | 0 | 109.6 | V79 M83 L84 A136 F138 M143 | V77-V79 HydrophobicContact CG2-CG2 4.16Å; V77-M83 CarbonylContact O-C 3.54Å; V77-M83 WeakPolarHBondContact O-CA 3.29Å; V77-L84 HydrophobicContact CG2-CB 3.97Å; V77-L84 HydrophobicContact CG2-CD1 4.42Å; V77-L84 PolarHBondContact N-O 3.41Å; V77-L84 PolarHBondContact O-N 3.47Å; V77-A136 HydrophobicContact CG1-CB 4.12Å; V77-F138 HydrophobicContact CB-CB 4.01Å; V77-F138 HydrophobicContact CG1-CB 4.14Å; V77-F138 HydrophobicContact CG2-CB 4.42Å; V77-M143 HydrophobicContact CG1-CE 4.34Å; V77-M143 HydrophobicContact CG1-CG 4.35Å; V77-M143 HydrophobicContact CG2-CB 4.33Å; V77-M143 HydrophobicContact CG2-CE 4Å; V77-M143 HydrophobicContact CG2-CG 3.87Å; V77-M143 HydrophobicContact CG2-SD 3.59Å; V77-M143 VanDerWaalsContact CG2-SD 3.59Å |
| 78 | I | 91.7 | Very high | 90.3 | Very high | 30 Ų | 30 | 19.8 Ų | 19.8 | 15% | 0.154 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 132.4 | 172.8 | -73 | 161.3 | 0 | 0 | 0 | 109.4 | V23 D25 Y32 A82 | V23-I78 HydrophobicContact CB-CD1 3.8Å; V23-I78 HydrophobicContact CB-CG1 4.02Å; V23-I78 HydrophobicContact CG2-CD1 3.58Å; V23-I78 HydrophobicContact CG2-CG1 3.69Å; D25-I78 HydrophobicContact CB-CD1 3.6Å; Y32-I78 HydrophobicContact CD2-CD1 4.36Å; I78-A82 CarbonylContact C-O 3.5Å; I78-A82 WeakPolarHBondContact CA-O 3.3Å |
| 79 | V | 88.2 | Confident | 90.4 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 114.7 | 177.6 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | V77 G81 A82 L84 F138 I181 | V77-V79 HydrophobicContact CG2-CG2 4.16Å; V79-G81 PolarHBondContact O-N 3.08Å; V79-A82 PolarHBondContact N-O 3.11Å; V79-A82 WeakPolarHBondContact O-CB 3.17Å; V79-A82 PolarHBondContact O-N 2.74Å; V79-L84 HydrophobicContact CB-CD1 4.19Å; V79-L84 HydrophobicContact CG2-CD1 3.66Å; V79-L84 HydrophobicContact CG2-CG 4.23Å; V79-F138 HydrophobicContact CB-CE2 4.35Å; V79-F138 HydrophobicContact CB-CZ 4.24Å; V79-F138 HydrophobicContact CG1-CE1 4.46Å; V79-F138 HydrophobicContact CG1-CE2 3.99Å; V79-F138 HydrophobicContact CG1-CZ 3.71Å; V79-F138 HydrophobicContact CG2-CD1 4.35Å; V79-F138 HydrophobicContact CG2-CD2 3.63Å; V79-F138 HydrophobicContact CG2-CE1 4.21Å; V79-F138 HydrophobicContact CG2-CE2 3.47Å; V79-F138 VanDerWaalsContact CG2-CE2 3.47Å; V79-F138 HydrophobicContact CG2-CG 4.07Å; V79-F138 HydrophobicContact CG2-CZ 3.77Å; V79-I181 HydrophobicContact CG1-CG2 3.99Å |
| 80 | S | 82.8 | Confident | 90.2 | Very high | 42 Ų | 42 | 17.1 Ų | 17.1 | 29% | 0.294 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.5 | 55.5 | 169.4 | -58.7 | 0 | 0 | 0 | 0 | 114.5 | A82 H182 | S80-A82 VanDerWaalsContact C-N 3.3Å; S80-A82 PolarHBondContact O-N 3.25Å; S80-H182 PolarHBondContact O-N 3.22Å |
| 81 | G | 83 | Confident | 89.5 | Confident | 7 Ų | 7 | 14 Ų | 14 | 7% | 0.072 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 8.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V79 L112 | V79-G81 PolarHBondContact O-N 3.08Å; G81-L112 WeakPolarHBondContact O-CB 3.13Å; G81-L112 WeakPolarHBondContact O-CD1 3.35Å; G81-L112 PolarHBondContact O-N 2.95Å |
| 82 | A | 89.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I78 V79 S80 Y110 W178 | I78-A82 CarbonylContact C-O 3.5Å; I78-A82 WeakPolarHBondContact CA-O 3.3Å; V79-A82 PolarHBondContact N-O 3.11Å; V79-A82 WeakPolarHBondContact O-CB 3.17Å; V79-A82 PolarHBondContact O-N 2.74Å; S80-A82 VanDerWaalsContact C-N 3.3Å; S80-A82 PolarHBondContact O-N 3.25Å; A82-Y110 CarbonylContact C-O 3.4Å; A82-Y110 VanDerWaalsContact CA-O 3.26Å; A82-Y110 WeakPolarHBondContact CA-O 3.32Å; A82-W178 HydrophobicContact CB-CZ3 3.94Å |
| 83 | M | 93.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 119 | 168.7 | 173.7 | -178.3 | -179.8 | 0 | 0 | 108.4 | V23 H34 L51 A76 V77 V85 A109 Y110 L112 | V23-M83 HydrophobicContact CG2-CE 3.9Å; V23-M83 HydrophobicContact CG2-CG 4.09Å; V23-M83 HydrophobicContact CG2-SD 3.9Å; H34-M83 HydrophobicContact CB-CE 3.68Å; L51-M83 HydrophobicContact CD1-SD 4.08Å; A76-M83 HydrophobicContact CB-CE 3.34Å; A76-M83 HydrophobicContact CB-CG 4.27Å; V77-M83 CarbonylContact O-C 3.54Å; V77-M83 WeakPolarHBondContact O-CA 3.29Å; M83-V85 HydrophobicContact CE-CG2 3.99Å; M83-V85 HydrophobicContact CG-CG2 4.35Å; M83-A109 CarbonylContact O-C 3.6Å; M83-A109 WeakPolarHBondContact O-CA 3.19Å; M83-Y110 HydrophobicContact CB-CD1 4.23Å; M83-Y110 PolarHBondContact N-O 3.08Å; M83-Y110 PolarHBondContact O-N 3.24Å; M83-L112 HydrophobicContact CB-CD1 3.99Å |
| 84 | L | 93.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 134 | 177.3 | -57.9 | -177.5 | 0 | 0 | 0 | 109.5 | A76 V77 V79 F107 L108 A109 L120 Y160 | A76-L84 CarbonylContact C-O 3.52Å; A76-L84 WeakPolarHBondContact CA-O 3.42Å; A76-L84 WeakPolarHBondContact CB-O 3.22Å; V77-L84 HydrophobicContact CG2-CB 3.97Å; V77-L84 HydrophobicContact CG2-CD1 4.42Å; V77-L84 PolarHBondContact N-O 3.41Å; V77-L84 PolarHBondContact O-N 3.47Å; V79-L84 HydrophobicContact CB-CD1 4.19Å; V79-L84 HydrophobicContact CG2-CD1 3.66Å; V79-L84 HydrophobicContact CG2-CG 4.23Å; L84-F107 HydrophobicContact CB-CE2 3.99Å; L84-F107 HydrophobicContact CB-CZ 4.48Å; L84-F107 HydrophobicContact CD1-CZ 4.23Å; L84-L108 CarbonylContact C-O 3.55Å; L84-L108 WeakPolarHBondContact CA-O 3.46Å; L84-A109 HydrophobicContact CD2-CB 3.82Å; L84-L120 HydrophobicContact CD2-CD1 4Å; L84-Y160 HydrophobicContact CD1-CD1 4.15Å; L84-Y160 HydrophobicContact CD1-CE1 3.68Å |
| 85 | V | 94.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 123.7 | -178.8 | 171 | 0 | 0 | 0 | 0 | 109.7 | H74 T75 A76 M83 F107 L108 W117 | H74-V85 HydrophobicContact CB-CG1 4.3Å; H74-V85 VanDerWaalsContact CD2-CG1 3.44Å; H74-V85 WeakPolarHBondContact CD2-CG1 3.44Å; T75-V85 WeakPolarHBondContact O-CA 3.38Å; A76-V85 HydrophobicContact CB-CG2 3.92Å; M83-V85 HydrophobicContact CE-CG2 3.99Å; M83-V85 HydrophobicContact CG-CG2 4.35Å; V85-F107 WeakPolarHBondContact O-CD2 3.32Å; V85-L108 HydrophobicContact CB-CB 4.2Å; V85-L108 PolarHBondContact N-O 3.29Å; V85-L108 PolarHBondContact O-N 2.92Å; V85-W117 HydrophobicContact CG2-CH2 4.15Å; V85-W117 HydrophobicContact CG2-CZ3 4.08Å |
| 86 | F | 93.7 | Very high | 79 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 4% | 0.044 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.4 | -177.4 | -178 | -107.5 | 0 | 0 | 0 | 112.9 | T75 F107 V129 R131 H134 M143 V145 L158 | T75-F86 PolarHBondContact N-O 3.49Å; T75-F86 PolarHBondContact O-N 2.77Å; F86-F107 HydrophobicContact CB-CD2 4.11Å; F86-F107 HydrophobicContact CB-CE2 4.31Å; F86-F107 HydrophobicContact CD2-CB 4.26Å; F86-F107 HydrophobicContact CD2-CD2 4.08Å; F86-F107 HydrophobicContact CD2-CG 4.22Å; F86-V129 HydrophobicContact CZ-CB 4.49Å; F86-V129 HydrophobicContact CZ-CG2 4.21Å; F86-R131 HydrophobicContact CE1-CG 4.01Å; F86-H134 AromaticContact CD1-CE1 3.89Å; F86-H134 AromaticContact CD1-NE2 3.55Å; F86-H134 PolarHBondContact O-CE1 3.33Å; F86-H134 PolarHBondContact O-NE2 3.08Å; F86-M143 HydrophobicContact CB-CE 3.95Å; F86-V145 HydrophobicContact CD1-CG1 4.06Å; F86-V145 HydrophobicContact CD1-CG2 3.98Å; F86-V145 HydrophobicContact CE1-CG1 4.11Å; F86-L158 HydrophobicContact CE1-CD1 3.89Å; F86-L158 HydrophobicContact CZ-CD1 3.86Å |
| 87 | G | 91.4 | Very high | 76.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.2 | -144.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R71 H74 S104 D106 | R71-G87 PolarHBondContact NH1-O 3.18Å; H74-G87 WeakPolarHBondContact CB-O 3.42Å; G87-S104 WeakPolarHBondContact CA-O 3.05Å; G87-D106 PolarHBondContact N-O 3.21Å |
| 88 | G | 89.6 | Confident | 73.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 106.9 | 175.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y72 S104 R131 F132 | Y72-G88 WeakPolarHBondContact O-CA 3.38Å; G88-S104 PolarHBondContact O-N 3.34Å; G88-R131 PolarHBondContact N-O 3.48Å; G88-F132 VanDerWaalsContact C-CB 3.48Å |
| 89 | N | 85.7 | Confident | 70.9 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.053 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -99.7 | 121.4 | 175.6 | -176.6 | -23.6 | 0 | 0 | 0 | 109 | R71 Y72 H91 C102 F132 | R71-N89 VanDerWaalsContact CA-O 3.3Å; R71-N89 WeakPolarHBondContact CA-O 3.26Å; Y72-N89 HydrophobicContact CD1-CB 3.78Å; Y72-N89 VanDerWaalsContact CD1-O 3.31Å; Y72-N89 WeakPolarHBondContact CD1-O 3.47Å; Y72-N89 HydrophobicContact CE1-CB 3.4Å; Y72-N89 PolarHBondContact N-O 3.45Å; Y72-N89 VanDerWaalsContact N-O 3.09Å; Y72-N89 PolarHBondContact O-N 3.29Å; Y72-N89 PolarHBondContact OH-ND2 2.84Å; Y72-N89 VanDerWaalsContact OH-ND2 3.11Å; N89-H91 WeakPolarHBondContact OD1-CB 3.22Å; N89-H91 PolarHBondContact OD1-N 3.21Å; N89-C102 WeakPolarHBondContact CA-O 3.48Å; N89-C102 WeakPolarHBondContact CB-O 3.43Å; N89-C102 PolarHBondContact ND2-O 3.42Å; N89-C102 PolarHBondContact OD1-O 2.92Å; N89-C102 VanDerWaalsContact OD1-O 3.09Å; N89-F132 HydrophobicContact CB-CB 4.1Å; N89-F132 HydrophobicContact CB-CD1 4.06Å; N89-F132 HydrophobicContact CB-CG 4Å |
| 90 | T | 81.8 | Confident | 68.9 | Low | 58 Ų | 58 | 54.5 Ų | 54.5 | 36% | 0.356 | 33% | 0.331 | S | S | . | . | trans | -105.1 | 4.1 | -176.5 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | L47 R71 | L47-T90 WeakPolarHBondContact CD1-O 3.06Å; R71-T90 HydrophobicContact CB-CG2 4.22Å | ||
| 91 | H | 72.6 | Confident | 67.8 | Low | 41 Ų | 41 | 58.9 Ų | 58.9 | 19% | 0.19 | 35% | 0.345 | C | S | . | . | trans | -96.5 | 138.6 | -173.6 | -172.8 | -98.4 | 0 | 0 | 0 | 112.3 | N89 D93 | N89-H91 WeakPolarHBondContact OD1-CB 3.22Å; N89-H91 PolarHBondContact OD1-N 3.21Å; H91-D93 WeakPolarHBondContact CE1-CB 3.46Å; H91-D93 PolarHBondContact CE1-N 3.35Å; H91-D93 IonicContact CE1-OD2 2.84Å; H91-D93 PolarHBondContact ND1-N 3.29Å; H91-D93 IonicContact NE2-OD2 3.68Å; H91-D93 PolarHBondContact NE2-OD2 2.82Å | ||
| 92 | N | 60.2 | Low | 67.2 | Low | 84 Ų | 84 | 60.9 Ų | 60.9 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | trans | -115.1 | -1.3 | -173.7 | -161.5 | 25.5 | 0 | 0 | 0 | 114.7 | L47 T94 | L47-N92 HydrophobicContact CD1-CB 4.17Å; N92-T94 PolarHBondContact O-N 2.88Å | ||
| 93 | D | 55.1 | Low | 66.8 | Low | 89 Ų | 89 | 63 Ų | 63 | 48% | 0.476 | 37% | 0.366 | S | S | . | . | trans | -84.9 | 114.1 | -173.6 | -55.5 | -33.2 | 0 | 0 | 0 | 113.1 | H91 S97 | H91-D93 WeakPolarHBondContact CE1-CB 3.46Å; H91-D93 PolarHBondContact CE1-N 3.35Å; H91-D93 IonicContact CE1-OD2 2.84Å; H91-D93 PolarHBondContact ND1-N 3.29Å; H91-D93 IonicContact NE2-OD2 3.68Å; H91-D93 PolarHBondContact NE2-OD2 2.82Å; D93-S97 WeakPolarHBondContact OD2-CB 3.43Å; D93-S97 PolarHBondContact OD2-OG 3.49Å | ||
| 94 | T | 47.6 | Very low | 66.3 | Low | 100 Ų | 100 | 63.4 Ų | 63.4 | 61% | 0.613 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -75.8 | 117.6 | 156.4 | 42.7 | 0 | 0 | 0 | 0 | 110 | N92 M96 | N92-T94 PolarHBondContact O-N 2.88Å; T94-M96 PolarHBondContact O-N 3.02Å |
| 95 | S | 37.8 | Very low | 66 | Low | 120 Ų | 120 | 63.9 Ų | 63.9 | 84% | 0.839 | 37% | 0.372 | S | S | * | . | S | Bend | trans | 78.7 | -14.4 | 156.8 | 73.1 | 0 | 0 | 0 | 0 | 122.7 | ||
| 96 | M | 37.3 | Very low | 65.7 | Low | 177 Ų | 177 | 65.9 Ų | 65.9 | 87% | 0.872 | 38% | 0.383 | S | S | * | . | trans | -153.9 | 95.5 | 170.3 | -72.6 | -161.2 | -64 | 0 | 0 | 113.1 | T94 | T94-M96 PolarHBondContact O-N 3.02Š| ||
| 97 | S | 34.6 | Very low | 65.6 | Low | 64 Ų | 64 | 66.1 Ų | 66.1 | 45% | 0.448 | 38% | 0.384 | S | S | . | . | trans | -152.9 | 124.4 | 170.8 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | D93 G99 | D93-S97 WeakPolarHBondContact OD2-CB 3.43Å; D93-S97 PolarHBondContact OD2-OG 3.49Å; S97-G99 PolarHBondContact O-N 3.3Å | ||
| 98 | H | 34.4 | Very low | 65.6 | Low | 206 Ų | 206 | 66.1 Ų | 66.1 | 95% | 0.954 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -82.2 | 93.4 | 177 | -69.5 | -76.8 | 0 | 0 | 0 | 109.8 | ||
| 99 | G | 42.7 | Very low | 65.8 | Low | 80 Ų | 80 | 66.1 Ų | 66.1 | 83% | 0.825 | 38% | 0.384 | S | S | * | . | trans | 99 | 30.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | S97 | S97-G99 PolarHBondContact O-N 3.3Š| ||
| 100 | A | 46.4 | Very low | 66.1 | Low | 56 Ų | 56 | 65.8 Ų | 65.8 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | trans | -92.5 | 136.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C102 | A100-C102 PolarHBondContact O-N 3.06Š| ||
| 101 | K | 58.1 | Low | 66.4 | Low | 135 Ų | 135 | 63.1 Ų | 63.1 | 59% | 0.587 | 37% | 0.366 | S | S | * | . | trans | -66 | 122.6 | 174.2 | -74.8 | -175.1 | 175.1 | -172.8 | 0 | 109.6 | F103 D128 | K101-F103 HydrophobicContact CB-CD2 4.46Å; K101-F103 HydrophobicContact CB-CE2 4.31Å; K101-F103 HydrophobicContact CD-CE2 4.16Å; K101-F103 HydrophobicContact CG-CE2 4.29Å; K101-F103 PolarHBondContact O-N 3.48Å; K101-D128 IonicContact NZ-OD2 3.73Å; K101-D128 PolarHBondContact NZ-OD2 2.04Å | ||
| 102 | C | 71.7 | Confident | 67.2 | Low | 48 Ų | 48 | 62 Ų | 62 | 32% | 0.324 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -76.7 | -0.8 | -178 | -58 | 0 | 0 | 0 | 0 | 115.1 | N89 A100 | N89-C102 WeakPolarHBondContact CA-O 3.48Å; N89-C102 WeakPolarHBondContact CB-O 3.43Å; N89-C102 PolarHBondContact ND2-O 3.42Å; N89-C102 PolarHBondContact OD1-O 2.92Å; N89-C102 VanDerWaalsContact OD1-O 3.09Å; A100-C102 PolarHBondContact O-N 3.06Å |
| 103 | F | 79.7 | Confident | 68.3 | Low | 44 Ų | 44 | 59.5 Ų | 59.5 | 19% | 0.193 | 35% | 0.352 | C | S | . | . | trans | -130.1 | 134.3 | -171.5 | 32.4 | -98.8 | 0 | 0 | 0 | 109.6 | K101 N130 F132 N150 | K101-F103 HydrophobicContact CB-CD2 4.46Å; K101-F103 HydrophobicContact CB-CE2 4.31Å; K101-F103 HydrophobicContact CD-CE2 4.16Å; K101-F103 HydrophobicContact CG-CE2 4.29Å; K101-F103 PolarHBondContact O-N 3.48Å; F103-N130 HydrophobicContact CB-CB 4.29Å; F103-N130 HydrophobicContact CD2-CB 3.54Å; F103-N130 HydrophobicContact CE2-CB 4.36Å; F103-N130 HydrophobicContact CG-CB 4.36Å; F103-F132 HydrophobicContact CB-CD1 4.13Å; F103-N150 HydrophobicContact CD1-CB 4.47Å; F103-N150 HydrophobicContact CD2-CB 4.46Å; F103-N150 WeakPolarHBondContact CE1-O 3.31Å; F103-N150 HydrophobicContact CG-CB 4.35Å; F103-N150 WeakPolarHBondContact CZ-O 3.48Å | ||
| 104 | S | 84.4 | Confident | 69.6 | Low | 9 Ų | 9 | 56.5 Ų | 56.5 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 153.5 | -179.3 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | G87 G88 D106 R131 | G87-S104 WeakPolarHBondContact CA-O 3.05Å; G88-S104 PolarHBondContact O-N 3.34Å; S104-D106 WeakPolarHBondContact OG-CB 3.41Å; S104-D106 PolarHBondContact OG-N 2.87Å; S104-D106 PolarHBondContact OG-OD1 2.89Å; S104-D106 PolarHBondContact OG-OD2 2.93Å; S104-R131 PolarHBondContact O-N 3.37Å |
| 105 | S | 87.4 | Confident | 71.5 | Confident | 10 Ų | 10 | 53 Ų | 53 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 10.8 | 168.4 | 52.6 | 0 | 0 | 0 | 0 | 111.3 | F107 N130 | S105-F107 PolarHBondContact O-N 2.87Å; S105-N130 WeakPolarHBondContact CA-OD1 3.49Å; S105-N130 WeakPolarHBondContact CB-OD1 3Å; S105-N130 PolarHBondContact N-OD1 3.38Å; S105-N130 PolarHBondContact OG-OD1 3.18Å |
| 106 | D | 88.7 | Confident | 73.8 | Confident | 43 Ų | 43 | 48.7 Ų | 48.7 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 134.7 | 176.5 | -62.3 | -26.1 | 0 | 0 | 0 | 109.6 | R71 G87 S104 | R71-D106 IonicContact CZ-OD2 2.85Å; R71-D106 IonicContact NH1-OD2 3.93Å; R71-D106 IonicContact NH2-OD2 3.84Å; R71-D106 PolarHBondContact NH2-OD2 2.88Å; G87-D106 PolarHBondContact N-O 3.21Å; S104-D106 WeakPolarHBondContact OG-CB 3.41Å; S104-D106 PolarHBondContact OG-N 2.87Å; S104-D106 PolarHBondContact OG-OD1 2.89Å; S104-D106 PolarHBondContact OG-OD2 2.93Å |
| 107 | F | 90.9 | Very high | 76.3 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 116 | 176 | -164.2 | -164.1 | 0 | 0 | 0 | 108.2 | L84 V85 F86 S105 L120 M143 Y160 | L84-F107 HydrophobicContact CB-CE2 3.99Å; L84-F107 HydrophobicContact CB-CZ 4.48Å; L84-F107 HydrophobicContact CD1-CZ 4.23Å; V85-F107 WeakPolarHBondContact O-CD2 3.32Å; F86-F107 HydrophobicContact CB-CD2 4.11Å; F86-F107 HydrophobicContact CB-CE2 4.31Å; F86-F107 HydrophobicContact CD2-CB 4.26Å; F86-F107 HydrophobicContact CD2-CD2 4.08Å; F86-F107 HydrophobicContact CD2-CG 4.22Å; S105-F107 PolarHBondContact O-N 2.87Å; F107-L120 HydrophobicContact CB-CB 4.16Å; F107-L120 HydrophobicContact CD1-CB 3.98Å; F107-L120 HydrophobicContact CD1-CD1 3.73Å; F107-L120 HydrophobicContact CD2-CD1 4.24Å; F107-L120 HydrophobicContact CE1-CD1 3.74Å; F107-L120 HydrophobicContact CE2-CD1 4.26Å; F107-L120 HydrophobicContact CG-CB 4.14Å; F107-L120 HydrophobicContact CG-CD1 3.99Å; F107-L120 HydrophobicContact CZ-CD1 4.01Å; F107-L120 WeakPolarHBondContact O-CB 3.45Å; F107-L120 PolarHBondContact O-N 2.89Å; F107-M143 HydrophobicContact CE2-SD 4.26Å; F107-M143 HydrophobicContact CZ-SD 4.32Å; F107-Y160 HydrophobicContact CE1-CD1 4.15Å; F107-Y160 AromaticContact CE1-CD2 3.62Å; F107-Y160 HydrophobicContact CE1-CD2 3.62Å; F107-Y160 HydrophobicContact CE1-CE1 4.18Å; F107-Y160 AromaticContact CE1-CE2 3.67Å; F107-Y160 HydrophobicContact CE1-CE2 3.67Å; F107-Y160 AromaticContact CE1-CG 3.86Å; F107-Y160 HydrophobicContact CE1-CG 3.86Å; F107-Y160 AromaticContact CE1-CZ 3.94Å; F107-Y160 AromaticContact CZ-CD1 3.81Å; F107-Y160 HydrophobicContact CZ-CD1 3.81Å; F107-Y160 HydrophobicContact CZ-CD2 4.13Å; F107-Y160 AromaticContact CZ-CE1 3.95Å; F107-Y160 HydrophobicContact CZ-CE1 3.95Å; F107-Y160 HydrophobicContact CZ-CE2 4.27Å; F107-Y160 AromaticContact CZ-CG 3.88Å; F107-Y160 HydrophobicContact CZ-CG 3.88Å |
| 108 | L | 92 | Very high | 78.9 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 146.7 | -175.5 | -49.4 | 174.7 | 0 | 0 | 0 | 109.6 | F69 L84 V85 W117 V119 | F69-L108 HydrophobicContact CB-CD1 3.93Å; F69-L108 HydrophobicContact CD2-CD1 3.98Å; F69-L108 HydrophobicContact CD2-CD2 3.96Å; F69-L108 HydrophobicContact CE2-CD2 4.06Å; F69-L108 HydrophobicContact CG-CD1 4.08Å; F69-L108 HydrophobicContact CG-CD2 4.31Å; F69-L108 HydrophobicContact CZ-CD2 4.46Å; L84-L108 CarbonylContact C-O 3.55Å; L84-L108 WeakPolarHBondContact CA-O 3.46Å; V85-L108 HydrophobicContact CB-CB 4.2Å; V85-L108 PolarHBondContact N-O 3.29Å; V85-L108 PolarHBondContact O-N 2.92Å; L108-W117 HydrophobicContact CB-CE3 4.1Å; L108-W117 HydrophobicContact CB-CZ3 4.04Å; L108-W117 HydrophobicContact CD1-CE3 4.43Å; L108-W117 HydrophobicContact CD1-CZ3 4.28Å; L108-V119 HydrophobicContact CD2-CB 4.35Å; L108-V119 HydrophobicContact CD2-CG1 4.32Å; L108-V119 HydrophobicContact CD2-CG2 3.84Å |
| 109 | A | 92.5 | Very high | 81.5 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 132.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | M83 L84 W117 T118 L120 W178 | M83-A109 CarbonylContact O-C 3.6Å; M83-A109 WeakPolarHBondContact O-CA 3.19Å; L84-A109 HydrophobicContact CD2-CB 3.82Å; A109-W117 CarbonylContact O-C 3.58Å; A109-W117 WeakPolarHBondContact O-CA 3.21Å; A109-T118 PolarHBondContact N-O 2.81Å; A109-T118 PolarHBondContact O-N 3.06Å; A109-L120 HydrophobicContact CB-CD1 4.05Å; A109-L120 HydrophobicContact CB-CD2 3.99Å; A109-L120 HydrophobicContact CB-CG 3.93Å; A109-W178 HydrophobicContact CB-CH2 3.97Å |
| 110 | Y | 92.6 | Very high | 83.6 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.3 | 172.1 | 171.3 | -99.2 | 0 | 0 | 0 | 109.8 | Y32 L51 L64 A82 M83 L112 D115 E116 W117 | Y32-Y110 HydrophobicContact CD1-CE1 4.46Å; Y32-Y110 HydrophobicContact CE1-CE1 4.33Å; L51-Y110 HydrophobicContact CD2-CD1 3.69Å; L51-Y110 HydrophobicContact CD2-CD2 3.72Å; L51-Y110 HydrophobicContact CD2-CE1 3.43Å; L51-Y110 VanDerWaalsContact CD2-CE1 3.43Å; L51-Y110 HydrophobicContact CD2-CE2 3.44Å; L51-Y110 VanDerWaalsContact CD2-CE2 3.44Å; L51-Y110 HydrophobicContact CD2-CG 3.82Å; L64-Y110 HydrophobicContact CD1-CE1 4.31Å; L64-Y110 WeakPolarHBondContact CD1-OH 3.08Å; A82-Y110 CarbonylContact C-O 3.4Å; A82-Y110 VanDerWaalsContact CA-O 3.26Å; A82-Y110 WeakPolarHBondContact CA-O 3.32Å; M83-Y110 HydrophobicContact CB-CD1 4.23Å; M83-Y110 PolarHBondContact N-O 3.08Å; M83-Y110 PolarHBondContact O-N 3.24Å; Y110-L112 HydrophobicContact CD1-CD1 4.09Å; Y110-L112 HydrophobicContact CE1-CD1 4.38Å; Y110-L112 HydrophobicContact CE1-CG 4.42Å; Y110-D115 VanDerWaalsContact CE2-OD1 3.27Å; Y110-D115 WeakPolarHBondContact CE2-OD1 3.38Å; Y110-D115 VanDerWaalsContact CZ-OD1 3.3Å; Y110-D115 WeakPolarHBondContact OH-CA 3.37Å; Y110-D115 PolarHBondContact OH-OD1 3.32Å; Y110-E116 CarbonylContact C-O 3.58Å; Y110-E116 WeakPolarHBondContact CA-O 3.14Å; Y110-W117 AromaticContact CD2-CD1 3.74Å; Y110-W117 AromaticContact CD2-CD2 3.85Å; Y110-W117 HydrophobicContact CD2-CD2 3.85Å; Y110-W117 AromaticContact CD2-CE2 3.53Å; Y110-W117 AromaticContact CD2-CG 4Å; Y110-W117 HydrophobicContact CD2-CG 4Å; Y110-W117 HydrophobicContact CD2-CZ2 4.07Å; Y110-W117 AromaticContact CD2-NE1 3.45Å; Y110-W117 AromaticContact CE2-NE1 3.92Å; Y110-W117 HydrophobicContact CG-CD2 4.3Å; Y110-W117 HydrophobicContact CG-CZ2 4.17Å |
| 111 | S | 88.9 | Confident | 85.4 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.2 | 177.2 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | A113 C114 D115 E116 W178 H182 | S111-A113 PolarHBondContact O-N 2.94Å; S111-A113 PolarHBondContact OG-N 2.96Å; S111-C114 PolarHBondContact OG-N 3.39Å; S111-C114 VanDerWaalsContact OG-N 3.15Å; S111-D115 WeakPolarHBondContact O-CA 3.42Å; S111-D115 PolarHBondContact O-N 2.9Å; S111-E116 PolarHBondContact N-O 2.97Å; S111-W178 VanDerWaalsContact CB-CH2 3.49Å; S111-H182 PolarHBondContact OG-CD2 2.91Å |
| 112 | L | 88.6 | Confident | 85.9 | Confident | 18 Ų | 18 | 33.3 Ų | 33.3 | 9% | 0.094 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -25.6 | 176.6 | -77.6 | 67.9 | 0 | 0 | 0 | 111.7 | D25 Y32 G81 M83 Y110 W195 | D25-L112 HydrophobicContact CB-CD2 4.43Å; Y32-L112 HydrophobicContact CD2-CD2 4.45Å; Y32-L112 HydrophobicContact CE1-CD2 4.34Å; Y32-L112 HydrophobicContact CE1-CG 4.02Å; Y32-L112 HydrophobicContact CE2-CD2 3.66Å; Y32-L112 HydrophobicContact CE2-CG 4.24Å; G81-L112 WeakPolarHBondContact O-CB 3.13Å; G81-L112 WeakPolarHBondContact O-CD1 3.35Å; G81-L112 PolarHBondContact O-N 2.95Å; M83-L112 HydrophobicContact CB-CD1 3.99Å; Y110-L112 HydrophobicContact CD1-CD1 4.09Å; Y110-L112 HydrophobicContact CE1-CD1 4.38Å; Y110-L112 HydrophobicContact CE1-CG 4.42Å; L112-W195 HydrophobicContact CB-CH2 4.09Å; L112-W195 HydrophobicContact CB-CZ3 3.74Å |
| 113 | A | 82.7 | Confident | 85.7 | Confident | 31 Ų | 31 | 33.7 Ų | 33.7 | 26% | 0.256 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -37 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S111 W195 V211 | S111-A113 PolarHBondContact O-N 2.94Å; S111-A113 PolarHBondContact OG-N 2.96Å; A113-W195 HydrophobicContact CB-CD2 3.9Å; A113-W195 HydrophobicContact CB-CE3 4.42Å; A113-W195 HydrophobicContact CB-CG 4.34Å; A113-W195 HydrophobicContact CB-CH2 4.21Å; A113-W195 HydrophobicContact CB-CZ2 3.7Å; A113-V211 HydrophobicContact CB-CG1 3.65Å; A113-V211 HydrophobicContact CB-CG2 4.21Å |
| 114 | C | 82.9 | Confident | 85.1 | Confident | 26 Ų | 26 | 39.8 Ų | 39.8 | 18% | 0.176 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -7.7 | -172.4 | -64.9 | 0 | 0 | 0 | 0 | 114.6 | S111 E116 V211 C213 | S111-C114 PolarHBondContact OG-N 3.39Å; S111-C114 VanDerWaalsContact OG-N 3.15Å; C114-E116 VanDerWaalsContact C-N 3.33Å; C114-E116 HydrophobicContact CB-CB 4.23Å; C114-E116 PolarHBondContact O-N 3.47Å; C114-V211 VanDerWaalsContact SG-CG1 3.58Å; C114-C213 WeakPolarHBondContact CA-SG 3.07Å; C114-C213 HydrophobicContact CB-CB 3.72Å; C114-C213 WeakPolarHBondContact CB-SG 3.35Å; C114-C213 WeakPolarHBondContact SG-CA 3.46Å; C114-C213 WeakPolarHBondContact SG-CB 3.49Å; C114-C213 CovalentContact SG-SG 2.04Å; C114-C213 PolarHBondContact SG-SG 2.81Å |
| 115 | D | 87.1 | Confident | 84.6 | Confident | 26 Ų | 26 | 43.8 Ų | 43.8 | 14% | 0.139 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 50.3 | -173.4 | -168.5 | 27.6 | 0 | 0 | 0 | 112.4 | R65 Y110 S111 T238 | R65-D115 WeakPolarHBondContact CB-O 3.47Å; R65-D115 WeakPolarHBondContact CB-OD1 3.37Å; R65-D115 VanDerWaalsContact CD-O 3.29Å; R65-D115 WeakPolarHBondContact CD-O 3.49Å; R65-D115 PolarHBondContact N-OD1 3.05Å; R65-D115 PolarHBondContact N-OD2 3.18Å; Y110-D115 VanDerWaalsContact CE2-OD1 3.27Å; Y110-D115 WeakPolarHBondContact CE2-OD1 3.38Å; Y110-D115 VanDerWaalsContact CZ-OD1 3.3Å; Y110-D115 WeakPolarHBondContact OH-CA 3.37Å; Y110-D115 PolarHBondContact OH-OD1 3.32Å; S111-D115 WeakPolarHBondContact O-CA 3.42Å; S111-D115 PolarHBondContact O-N 2.9Å; D115-T238 WeakPolarHBondContact OD2-CB 3.5Å; D115-T238 PolarHBondContact OD2-OG1 2.97Å |
| 116 | E | 86.3 | Confident | 83.4 | Confident | 30 Ų | 30 | 51.9 Ų | 51.9 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 136.1 | -171.9 | 173.9 | 153.9 | -121.2 | 0 | 0 | 112.4 | R65 Y110 S111 C114 | R65-E116 IonicContact CZ-OE1 2.71Å; R65-E116 IonicContact NH1-OE1 3.38Å; R65-E116 IonicContact NH2-OE1 2.67Å; R65-E116 PolarHBondContact NH2-OE1 3.5Å; Y110-E116 CarbonylContact C-O 3.58Å; Y110-E116 WeakPolarHBondContact CA-O 3.14Å; S111-E116 PolarHBondContact N-O 2.97Å; C114-E116 VanDerWaalsContact C-N 3.33Å; C114-E116 HydrophobicContact CB-CB 4.23Å; C114-E116 PolarHBondContact O-N 3.47Å |
| 117 | W | 89.6 | Confident | 82.5 | Confident | 25 Ų | 25 | 57 Ų | 57 | 10% | 0.095 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 141 | 174.9 | -70.5 | 92.2 | 0 | 0 | 0 | 111.7 | H34 L51 R65 S67 V85 L108 A109 Y110 | H34-W117 AromaticContact CD2-CH2 3.73Å; H34-W117 AromaticContact CE1-CH2 3.77Å; H34-W117 AromaticContact CE1-CZ2 3.82Å; H34-W117 AromaticContact CG-CH2 3.76Å; H34-W117 AromaticContact ND1-CH2 3.78Å; H34-W117 AromaticContact ND1-CZ2 3.7Å; H34-W117 AromaticContact NE2-CH2 3.75Å; L51-W117 HydrophobicContact CB-CZ2 4.24Å; L51-W117 HydrophobicContact CD1-CZ2 4.32Å; L51-W117 HydrophobicContact CD2-CZ2 3.88Å; L51-W117 HydrophobicContact CG-CZ2 4.38Å; R65-W117 PolarHBondContact O-NE1 2.95Å; S67-W117 VanDerWaalsContact CA-CD1 3.47Å; S67-W117 VanDerWaalsContact CB-CE2 3.44Å; V85-W117 HydrophobicContact CG2-CH2 4.15Å; V85-W117 HydrophobicContact CG2-CZ3 4.08Å; L108-W117 HydrophobicContact CB-CE3 4.1Å; L108-W117 HydrophobicContact CB-CZ3 4.04Å; L108-W117 HydrophobicContact CD1-CE3 4.43Å; L108-W117 HydrophobicContact CD1-CZ3 4.28Å; A109-W117 CarbonylContact O-C 3.58Å; A109-W117 WeakPolarHBondContact O-CA 3.21Å; Y110-W117 AromaticContact CD2-CD1 3.74Å; Y110-W117 AromaticContact CD2-CD2 3.85Å; Y110-W117 HydrophobicContact CD2-CD2 3.85Å; Y110-W117 AromaticContact CD2-CE2 3.53Å; Y110-W117 AromaticContact CD2-CG 4Å; Y110-W117 HydrophobicContact CD2-CG 4Å; Y110-W117 HydrophobicContact CD2-CZ2 4.07Å; Y110-W117 AromaticContact CD2-NE1 3.45Å; Y110-W117 AromaticContact CE2-NE1 3.92Å; Y110-W117 HydrophobicContact CG-CD2 4.3Å; Y110-W117 HydrophobicContact CG-CZ2 4.17Å |
| 118 | T | 89.6 | Confident | 81.8 | Confident | 39 Ų | 39 | 60.3 Ų | 60.3 | 24% | 0.239 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 140.3 | 173 | -56.7 | 0 | 0 | 0 | 0 | 109.6 | A109 W178 P179 | A109-T118 PolarHBondContact N-O 2.81Å; A109-T118 PolarHBondContact O-N 3.06Å; T118-W178 WeakPolarHBondContact OG1-CZ2 3.29Å; T118-W178 PolarHBondContact OG1-NE1 3.25Å; T118-P179 HydrophobicContact CG2-CB 3.69Å; T118-P179 HydrophobicContact CG2-CG 3.99Å |
| 119 | V | 88.9 | Confident | 81.6 | Confident | 77 Ų | 77 | 60.9 Ų | 60.9 | 47% | 0.467 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 123.5 | 173.5 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | F69 L108 | F69-V119 HydrophobicContact CE1-CG2 4.36Å; F69-V119 HydrophobicContact CE2-CG2 3.8Å; F69-V119 HydrophobicContact CZ-CG2 3.47Å; F69-V119 VanDerWaalsContact CZ-CG2 3.47Å; L108-V119 HydrophobicContact CD2-CB 4.35Å; L108-V119 HydrophobicContact CD2-CG1 4.32Å; L108-V119 HydrophobicContact CD2-CG2 3.84Å |
| 120 | L | 87.6 | Confident | 81.4 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 151.4 | 173.6 | -63.9 | -178.6 | 0 | 0 | 0 | 110.4 | L84 F107 A109 Q122 P179 | L84-L120 HydrophobicContact CD2-CD1 4Å; F107-L120 HydrophobicContact CB-CB 4.16Å; F107-L120 HydrophobicContact CD1-CB 3.98Å; F107-L120 HydrophobicContact CD1-CD1 3.73Å; F107-L120 HydrophobicContact CD2-CD1 4.24Å; F107-L120 HydrophobicContact CE1-CD1 3.74Å; F107-L120 HydrophobicContact CE2-CD1 4.26Å; F107-L120 HydrophobicContact CG-CB 4.14Å; F107-L120 HydrophobicContact CG-CD1 3.99Å; F107-L120 HydrophobicContact CZ-CD1 4.01Å; F107-L120 WeakPolarHBondContact O-CB 3.45Å; F107-L120 PolarHBondContact O-N 2.89Å; A109-L120 HydrophobicContact CB-CD1 4.05Å; A109-L120 HydrophobicContact CB-CD2 3.99Å; A109-L120 HydrophobicContact CB-CG 3.93Å; L120-Q122 PolarHBondContact O-N 2.84Å; L120-P179 HydrophobicContact CD2-CB 3.67Å; L120-P179 HydrophobicContact CD2-CG 3.73Å |
| 121 | P | 82.5 | Confident | 81.2 | Confident | 108 Ų | 108 | 61.9 Ų | 61.9 | 70% | 0.701 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 140.1 | 173.7 | -21.9 | 32.1 | 0 | 0 | 0 | 111 | ||
| 122 | Q | 70.1 | Confident | 81.3 | Confident | 137 Ų | 137 | 62.4 Ų | 62.4 | 64% | 0.64 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 140.7 | 173.5 | -75.8 | -179.6 | -10.2 | 0 | 0 | 109.9 | L120 D124 | L120-Q122 PolarHBondContact O-N 2.84Å; Q122-D124 PolarHBondContact O-N 2.98Å |
| 123 | P | 67.3 | Low | 81.3 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 125.9 | 178.6 | 26 | -32.6 | 0 | 0 | 0 | 110 | L125 V129 | P123-L125 HydrophobicContact CB-CD1 3.87Å; P123-L125 HydrophobicContact CB-CG 4.12Å; P123-L125 HydrophobicContact CG-CD1 4.19Å; P123-L125 PolarHBondContact O-N 3.35Å; P123-V129 HydrophobicContact CG-CG2 3.93Å |
| 124 | D | 67.6 | Low | 81.7 | Confident | 172 Ų | 172 | 61.7 Ų | 61.7 | 92% | 0.92 | 33% | 0.331 | S | S | * | . | trans | -74.9 | 76.8 | 176.9 | -171.2 | 20.6 | 0 | 0 | 0 | 110 | Q122 | Q122-D124 PolarHBondContact O-N 2.98Š| ||
| 125 | L | 72.3 | Confident | 82.2 | Confident | 93 Ų | 93 | 64.2 Ų | 64.2 | 49% | 0.487 | 35% | 0.348 | S | S | . | . | trans | -112.5 | 144.4 | -178.9 | -70.4 | 168.4 | 0 | 0 | 0 | 110 | P123 H127 V129 | P123-L125 HydrophobicContact CB-CD1 3.87Å; P123-L125 HydrophobicContact CB-CG 4.12Å; P123-L125 HydrophobicContact CG-CD1 4.19Å; P123-L125 PolarHBondContact O-N 3.35Å; L125-H127 PolarHBondContact O-N 3.47Å; L125-V129 HydrophobicContact CB-CG1 4.42Å; L125-V129 HydrophobicContact CD1-CG1 3.58Å | ||
| 126 | H | 63.5 | Low | 82.6 | Confident | 181 Ų | 181 | 64 Ų | 64 | 84% | 0.838 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -64.4 | -13 | -178 | -154.2 | 75.1 | 0 | 0 | 0 | 113.8 | ||
| 127 | H | 69.8 | Low | 82.9 | Confident | 151 Ų | 151 | 66.9 Ų | 66.9 | 70% | 0.699 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -129.1 | 149.7 | -177.7 | -66.8 | -61 | 0 | 0 | 0 | 111.7 | L125 V129 | L125-H127 PolarHBondContact O-N 3.47Å; H127-V129 PolarHBondContact O-N 3.15Å |
| 128 | D | 76.5 | Confident | 83 | Confident | 83 Ų | 83 | 69.2 Ų | 69.2 | 44% | 0.444 | 38% | 0.381 | S | S | . | . | trans | -65.2 | 118 | 174.5 | -171.6 | -11.3 | 0 | 0 | 0 | 110.1 | K101 N130 | K101-D128 IonicContact NZ-OD2 3.73Å; K101-D128 PolarHBondContact NZ-OD2 2.04Å; D128-N130 VanDerWaalsContact OD1-CB 3.27Å; D128-N130 WeakPolarHBondContact OD1-CB 2.9Å; D128-N130 PolarHBondContact OD1-N 3.45Å; D128-N130 PolarHBondContact OD1-ND2 3.4Å; D128-N130 PolarHBondContact OD2-ND2 2.53Å | ||
| 129 | V | 87.1 | Confident | 83 | Confident | 13 Ų | 13 | 70 Ų | 70 | 8% | 0.079 | 39% | 0.387 | C | S | . | . | trans | -97 | 3.7 | -178.5 | -66.7 | 0 | 0 | 0 | 0 | 114 | F86 P123 L125 H127 R131 L158 | F86-V129 HydrophobicContact CZ-CB 4.49Å; F86-V129 HydrophobicContact CZ-CG2 4.21Å; P123-V129 HydrophobicContact CG-CG2 3.93Å; L125-V129 HydrophobicContact CB-CG1 4.42Å; L125-V129 HydrophobicContact CD1-CG1 3.58Å; H127-V129 PolarHBondContact O-N 3.15Å; V129-R131 WeakPolarHBondContact O-CG 2.96Å; V129-R131 PolarHBondContact O-N 2.89Å; V129-R131 PolarHBondContact O-NE 3.07Å; V129-L158 HydrophobicContact CB-CD1 3.88Å; V129-L158 HydrophobicContact CG1-CD1 3.97Å; V129-L158 HydrophobicContact CG1-CD2 3.87Å | ||
| 130 | N | 87.4 | Confident | 82.9 | Confident | 20 Ų | 20 | 72.9 Ų | 72.9 | 11% | 0.107 | 40% | 0.4 | C | S | . | . | trans | -52.2 | 127.3 | 180 | -67.6 | -45.6 | 0 | 0 | 0 | 111.1 | F103 S105 D128 N150 | F103-N130 HydrophobicContact CB-CB 4.29Å; F103-N130 HydrophobicContact CD2-CB 3.54Å; F103-N130 HydrophobicContact CE2-CB 4.36Å; F103-N130 HydrophobicContact CG-CB 4.36Å; S105-N130 WeakPolarHBondContact CA-OD1 3.49Å; S105-N130 WeakPolarHBondContact CB-OD1 3Å; S105-N130 PolarHBondContact N-OD1 3.38Å; S105-N130 PolarHBondContact OG-OD1 3.18Å; D128-N130 VanDerWaalsContact OD1-CB 3.27Å; D128-N130 WeakPolarHBondContact OD1-CB 2.9Å; D128-N130 PolarHBondContact OD1-N 3.45Å; D128-N130 PolarHBondContact OD1-ND2 3.4Å; D128-N130 PolarHBondContact OD2-ND2 2.53Å; N130-N150 WeakPolarHBondContact O-CB 3.38Å | ||
| 131 | R | 88.8 | Confident | 82.8 | Confident | 3 Ų | 3 | 75.3 Ų | 75.3 | 1% | 0.011 | 42% | 0.418 | C | S | . | . | trans | -163.1 | 156.1 | -177.6 | 62.3 | -173.5 | 72.6 | -151.7 | 0.5 | 112.9 | F86 G88 S104 V129 G147 F149 L154 D156 | F86-R131 HydrophobicContact CE1-CG 4.01Å; G88-R131 PolarHBondContact N-O 3.48Å; S104-R131 PolarHBondContact O-N 3.37Å; V129-R131 WeakPolarHBondContact O-CG 2.96Å; V129-R131 PolarHBondContact O-N 2.89Å; V129-R131 PolarHBondContact O-NE 3.07Å; R131-G147 WeakPolarHBondContact CD-O 3.43Å; R131-G147 PolarHBondContact NH1-O 3.02Å; R131-F149 WeakPolarHBondContact CA-O 3.46Å; R131-L154 HydrophobicContact CB-CD1 4.13Å; R131-D156 IonicContact CZ-OD1 3.25Å; R131-D156 IonicContact CZ-OD2 3.47Å; R131-D156 IonicContact NH1-OD1 3.85Å; R131-D156 PolarHBondContact NH1-OD1 3.29Å; R131-D156 IonicContact NH1-OD2 2.86Å; R131-D156 PolarHBondContact NH1-OD2 2.86Å; R131-D156 IonicContact NH2-OD1 2.74Å; R131-D156 IonicContact NH2-OD2 3.84Å; R131-D156 PolarHBondContact NH2-OD2 3.38Å | ||
| 132 | F | 90.4 | Very high | 83.2 | Confident | 12 Ų | 12 | 71.1 Ų | 71.1 | 5% | 0.053 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -132.5 | 167.3 | 166 | 71.7 | -96.5 | 0 | 0 | 0 | 110.8 | L73 G88 N89 F103 H134 G148 F149 F491 | L73-F132 HydrophobicContact CB-CB 4.22Å; L73-F132 HydrophobicContact CB-CD2 3.95Å; L73-F132 HydrophobicContact CD1-CD2 3.63Å; L73-F132 HydrophobicContact CD1-CE2 3.87Å; L73-F132 HydrophobicContact CG-CD2 4.45Å; G88-F132 VanDerWaalsContact C-CB 3.48Å; N89-F132 HydrophobicContact CB-CB 4.1Å; N89-F132 HydrophobicContact CB-CD1 4.06Å; N89-F132 HydrophobicContact CB-CG 4Å; F103-F132 HydrophobicContact CB-CD1 4.13Å; F132-H134 PolarHBondContact O-N 2.05Å; F132-G148 CarbonylContact O-C 3.35Å; F132-G148 WeakPolarHBondContact O-CA 3.43Å; F132-F149 AromaticContact CE1-CD1 3.66Å; F132-F149 HydrophobicContact CE1-CD1 3.66Å; F132-F149 HydrophobicContact CE1-CE1 4.43Å; F132-F149 HydrophobicContact CE2-CB 4.47Å; F132-F149 HydrophobicContact CE2-CD1 4.41Å; F132-F149 HydrophobicContact CZ-CB 4.31Å; F132-F149 AromaticContact CZ-CD1 3.53Å; F132-F149 HydrophobicContact CZ-CD1 3.53Å; F132-F149 HydrophobicContact CZ-CE1 4.28Å; F132-F149 HydrophobicContact CZ-CG 4.31Å; F132-F149 PolarHBondContact N-O 3.28Å; F132-F149 VanDerWaalsContact N-O 3.13Å; F132-F149 PolarHBondContact O-N 3.44Å; F132-F491 HydrophobicContact CD2-CE1 4.33Å; F132-F491 HydrophobicContact CE2-CD1 4.17Å; F132-F491 AromaticContact CE2-CE1 3.95Å; F132-F491 HydrophobicContact CE2-CE1 3.95Å |
| 133 | G | 88.6 | Confident | 84.2 | Confident | 24 Ų | 24 | 64.7 Ų | 64.7 | 25% | 0.247 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 67.7 | 20.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L73 | L73-G133 PolarHBondContact O-N 2.93Š|
| 134 | H | 92.3 | Very high | 85.4 | Confident | 11 Ų | 11 | 66.3 Ų | 66.3 | 5% | 0.051 | 36% | 0.36 | C | S | . | . | trans | -82.3 | 169 | 173.8 | 55.4 | -84.9 | 0 | 0 | 0 | 110.4 | T75 F86 F132 V145 F146 G147 | T75-H134 WeakPolarHBondContact CG2-CD2 3.25Å; T75-H134 WeakPolarHBondContact CG2-NE2 2.99Å; T75-H134 WeakPolarHBondContact CG2-O 3.35Å; T75-H134 PolarHBondContact OG1-CD2 3.31Å; T75-H134 PolarHBondContact OG1-NE2 3.27Å; F86-H134 AromaticContact CD1-CE1 3.89Å; F86-H134 AromaticContact CD1-NE2 3.55Å; F86-H134 PolarHBondContact O-CE1 3.33Å; F86-H134 PolarHBondContact O-NE2 3.08Å; F132-H134 PolarHBondContact O-N 2.05Å; H134-V145 HydrophobicContact CB-CG1 4.02Å; H134-V145 WeakPolarHBondContact CD2-CG1 3.42Å; H134-F146 WeakPolarHBondContact CB-O 3.38Å; H134-G147 WeakPolarHBondContact CB-O 3.27Å | ||
| 135 | S | 93.6 | Very high | 86.7 | Confident | 78 Ų | 78 | 58.4 Ų | 58.4 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 144.7 | 169.6 | -65 | 0 | 0 | 0 | 0 | 109.7 | V145 F146 | S135-V145 CarbonylContact O-C 3.57Å; S135-V145 WeakPolarHBondContact O-CA 3.46Å; S135-F146 PolarHBondContact N-O 2.79Å; S135-F146 VanDerWaalsContact N-O 3.1Å; S135-F146 PolarHBondContact O-N 2.96Å |
| 136 | A | 94.3 | Very high | 87.7 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 140.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T75 V77 M143 Y144 V145 | T75-A136 HydrophobicContact CG2-CB 3.99Å; T75-A136 VanDerWaalsContact OG1-CB 3.24Å; T75-A136 WeakPolarHBondContact OG1-CB 3.45Å; V77-A136 HydrophobicContact CG1-CB 4.12Å; A136-M143 HydrophobicContact CB-CE 3.63Å; A136-Y144 CarbonylContact C-O 3.44Å; A136-Y144 WeakPolarHBondContact CA-O 3.42Å; A136-V145 HydrophobicContact CB-CG2 4.02Å |
| 137 | V | 93.8 | Very high | 89 | Confident | 91 Ų | 91 | 51 Ų | 51 | 55% | 0.552 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 145.2 | 175.5 | -62.9 | 0 | 0 | 0 | 0 | 108.9 | M143 Y144 | V137-M143 CarbonylContact O-C 3.59Å; V137-M143 WeakPolarHBondContact O-CA 3.39Å; V137-Y144 HydrophobicContact CG2-CD2 4.38Å; V137-Y144 PolarHBondContact N-O 3.45Å; V137-Y144 PolarHBondContact O-N 1.99Å |
| 138 | F | 91.4 | Very high | 89.9 | Confident | 75 Ų | 75 | 44.2 Ų | 44.2 | 33% | 0.329 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.9 | 175 | -177.5 | -106.2 | 0 | 0 | 0 | 109.3 | V77 V79 V142 M143 | V77-F138 HydrophobicContact CB-CB 4.01Å; V77-F138 HydrophobicContact CG1-CB 4.14Å; V77-F138 HydrophobicContact CG2-CB 4.42Å; V79-F138 HydrophobicContact CB-CE2 4.35Å; V79-F138 HydrophobicContact CB-CZ 4.24Å; V79-F138 HydrophobicContact CG1-CE1 4.46Å; V79-F138 HydrophobicContact CG1-CE2 3.99Å; V79-F138 HydrophobicContact CG1-CZ 3.71Å; V79-F138 HydrophobicContact CG2-CD1 4.35Å; V79-F138 HydrophobicContact CG2-CD2 3.63Å; V79-F138 HydrophobicContact CG2-CE1 4.21Å; V79-F138 HydrophobicContact CG2-CE2 3.47Å; V79-F138 VanDerWaalsContact CG2-CE2 3.47Å; V79-F138 HydrophobicContact CG2-CG 4.07Å; V79-F138 HydrophobicContact CG2-CZ 3.77Å; F138-V142 WeakPolarHBondContact CA-O 3.47Å; F138-V142 WeakPolarHBondContact CD2-O 3.49Å; F138-M143 HydrophobicContact CD2-CB 4.24Å |
| 139 | S | 90.4 | Very high | 90.2 | Very high | 54 Ų | 54 | 42.7 Ų | 42.7 | 38% | 0.378 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 139 | 176.3 | -166.4 | 0 | 0 | 0 | 0 | 109.2 | S141 V142 | S139-S141 VanDerWaalsContact C-N 3.32Å; S139-S141 PolarHBondContact O-N 2.92Å; S139-V142 PolarHBondContact N-O 2.96Å; S139-V142 WeakPolarHBondContact O-CA 3.31Å; S139-V142 PolarHBondContact O-N 2.71Å |
| 140 | D | 86.3 | Confident | 90 | Very high | 139 Ų | 139 | 43.6 Ų | 43.6 | 74% | 0.743 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 44.7 | 171.1 | -52.6 | -54.8 | 0 | 0 | 0 | 114.7 | V142 | D140-V142 PolarHBondContact O-N 3.18Š|
| 141 | S | 84.8 | Confident | 89.5 | Confident | 61 Ų | 61 | 46.6 Ų | 46.6 | 43% | 0.427 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 12.4 | -176.8 | -46.7 | 0 | 0 | 0 | 0 | 115.5 | S139 S162 | S139-S141 VanDerWaalsContact C-N 3.32Å; S139-S141 PolarHBondContact O-N 2.92Å; S141-S162 PolarHBondContact O-N 3.32Å; S141-S162 PolarHBondContact O-OG 2.88Å; S141-S162 VanDerWaalsContact O-OG 3.12Å |
| 142 | V | 90.1 | Very high | 89 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.5 | 179.1 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | F138 S139 D140 Y144 T159 Y160 T161 | F138-V142 WeakPolarHBondContact CA-O 3.47Å; F138-V142 WeakPolarHBondContact CD2-O 3.49Å; S139-V142 PolarHBondContact N-O 2.96Å; S139-V142 WeakPolarHBondContact O-CA 3.31Å; S139-V142 PolarHBondContact O-N 2.71Å; D140-V142 PolarHBondContact O-N 3.18Å; V142-Y144 HydrophobicContact CB-CD2 4.36Å; V142-Y144 HydrophobicContact CB-CE2 3.67Å; V142-Y144 HydrophobicContact CG1-CD1 4.3Å; V142-Y144 HydrophobicContact CG1-CD2 4.09Å; V142-Y144 HydrophobicContact CG1-CE1 3.89Å; V142-Y144 HydrophobicContact CG1-CE2 3.67Å; V142-Y144 HydrophobicContact CG1-CG 4.39Å; V142-T159 HydrophobicContact CG1-CG2 4.34Å; V142-Y160 CarbonylContact C-O 3.5Å; V142-Y160 WeakPolarHBondContact CA-O 3.43Å; V142-T161 HydrophobicContact CG2-CG2 4.37Å |
| 143 | M | 91.8 | Very high | 88.6 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 119.8 | 165.4 | 177.2 | -175.1 | -176.7 | 0 | 0 | 108.5 | V77 F86 F107 A136 V137 F138 V145 T159 Y160 | V77-M143 HydrophobicContact CG1-CE 4.34Å; V77-M143 HydrophobicContact CG1-CG 4.35Å; V77-M143 HydrophobicContact CG2-CB 4.33Å; V77-M143 HydrophobicContact CG2-CE 4Å; V77-M143 HydrophobicContact CG2-CG 3.87Å; V77-M143 HydrophobicContact CG2-SD 3.59Å; V77-M143 VanDerWaalsContact CG2-SD 3.59Å; F86-M143 HydrophobicContact CB-CE 3.95Å; F107-M143 HydrophobicContact CE2-SD 4.26Å; F107-M143 HydrophobicContact CZ-SD 4.32Å; A136-M143 HydrophobicContact CB-CE 3.63Å; V137-M143 CarbonylContact O-C 3.59Å; V137-M143 WeakPolarHBondContact O-CA 3.39Å; F138-M143 HydrophobicContact CD2-CB 4.24Å; M143-V145 HydrophobicContact CE-CG2 3.75Å; M143-V145 HydrophobicContact CG-CG2 4.35Å; M143-T159 WeakPolarHBondContact O-CA 3.42Å; M143-Y160 HydrophobicContact CB-CD1 4.22Å; M143-Y160 PolarHBondContact N-O 2.78Å; M143-Y160 PolarHBondContact O-N 3.07Å |
| 144 | Y | 93.4 | Very high | 88.5 | Confident | 89 Ų | 89 | 58.8 Ų | 58.8 | 35% | 0.349 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 121.9 | 173.9 | -62.1 | -89.5 | 0 | 0 | 0 | 108.9 | A136 V137 V142 I157 L158 T159 | A136-Y144 CarbonylContact C-O 3.44Å; A136-Y144 WeakPolarHBondContact CA-O 3.42Å; V137-Y144 HydrophobicContact CG2-CD2 4.38Å; V137-Y144 PolarHBondContact N-O 3.45Å; V137-Y144 PolarHBondContact O-N 1.99Å; V142-Y144 HydrophobicContact CB-CD2 4.36Å; V142-Y144 HydrophobicContact CB-CE2 3.67Å; V142-Y144 HydrophobicContact CG1-CD1 4.3Å; V142-Y144 HydrophobicContact CG1-CD2 4.09Å; V142-Y144 HydrophobicContact CG1-CE1 3.89Å; V142-Y144 HydrophobicContact CG1-CE2 3.67Å; V142-Y144 HydrophobicContact CG1-CG 4.39Å; Y144-I157 HydrophobicContact CD1-CG2 4.1Å; Y144-L158 WeakPolarHBondContact CA-O 3.49Å; Y144-T159 HydrophobicContact CD1-CG2 3.65Å; Y144-T159 HydrophobicContact CE1-CG2 3.73Å |
| 145 | V | 93.8 | Very high | 88.3 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 4% | 0.036 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 119.3 | 172.4 | 173.2 | 0 | 0 | 0 | 0 | 108.4 | F86 H134 S135 A136 M143 I157 L158 | F86-V145 HydrophobicContact CD1-CG1 4.06Å; F86-V145 HydrophobicContact CD1-CG2 3.98Å; F86-V145 HydrophobicContact CE1-CG1 4.11Å; H134-V145 HydrophobicContact CB-CG1 4.02Å; H134-V145 WeakPolarHBondContact CD2-CG1 3.42Å; S135-V145 CarbonylContact O-C 3.57Å; S135-V145 WeakPolarHBondContact O-CA 3.46Å; A136-V145 HydrophobicContact CB-CG2 4.02Å; M143-V145 HydrophobicContact CE-CG2 3.75Å; M143-V145 HydrophobicContact CG-CG2 4.35Å; V145-I157 CarbonylContact O-C 3.59Å; V145-I157 WeakPolarHBondContact O-CA 3.31Å; V145-L158 HydrophobicContact CB-CB 4.15Å; V145-L158 PolarHBondContact N-O 3.19Å; V145-L158 PolarHBondContact O-N 2.99Å |
| 146 | F | 93.6 | Very high | 88 | Confident | 115 Ų | 115 | 62.3 Ų | 62.3 | 50% | 0.504 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.9 | -177.4 | 175.2 | -110.4 | 0 | 0 | 0 | 112 | H134 S135 I157 | H134-F146 WeakPolarHBondContact CB-O 3.38Å; S135-F146 PolarHBondContact N-O 2.79Å; S135-F146 VanDerWaalsContact N-O 3.1Å; S135-F146 PolarHBondContact O-N 2.96Å; F146-I157 HydrophobicContact CD2-CD1 4.34Å; F146-I157 HydrophobicContact CD2-CG1 3.62Å; F146-I157 HydrophobicContact CE2-CG1 4.36Å |
| 147 | G | 90.6 | Very high | 87.9 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.5 | -141.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R131 H134 L154 D156 | R131-G147 WeakPolarHBondContact CD-O 3.43Å; R131-G147 PolarHBondContact NH1-O 3.02Å; H134-G147 WeakPolarHBondContact CB-O 3.27Å; G147-L154 WeakPolarHBondContact CA-O 3.31Å; G147-D156 PolarHBondContact N-O 3.17Å |
| 148 | G | 88.4 | Confident | 87.7 | Confident | 10 Ų | 10 | 63.4 Ų | 63.4 | 10% | 0.103 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 104.5 | -171 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F132 L154 | F132-G148 CarbonylContact O-C 3.35Å; F132-G148 WeakPolarHBondContact O-CA 3.43Å; G148-L154 WeakPolarHBondContact O-CB 3.39Å; G148-L154 PolarHBondContact O-N 3.36Å |
| 149 | F | 84.3 | Confident | 87.7 | Confident | 51 Ų | 51 | 64.2 Ų | 64.2 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 135.5 | -176.2 | -175 | -95 | 0 | 0 | 0 | 111.4 | R131 F132 S151 L152 L153 F491 | R131-F149 WeakPolarHBondContact CA-O 3.46Å; F132-F149 AromaticContact CE1-CD1 3.66Å; F132-F149 HydrophobicContact CE1-CD1 3.66Å; F132-F149 HydrophobicContact CE1-CE1 4.43Å; F132-F149 HydrophobicContact CE2-CB 4.47Å; F132-F149 HydrophobicContact CE2-CD1 4.41Å; F132-F149 HydrophobicContact CZ-CB 4.31Å; F132-F149 AromaticContact CZ-CD1 3.53Å; F132-F149 HydrophobicContact CZ-CD1 3.53Å; F132-F149 HydrophobicContact CZ-CE1 4.28Å; F132-F149 HydrophobicContact CZ-CG 4.31Å; F132-F149 PolarHBondContact N-O 3.28Å; F132-F149 VanDerWaalsContact N-O 3.13Å; F132-F149 PolarHBondContact O-N 3.44Å; F149-S151 VanDerWaalsContact CE1-N 3.33Å; F149-S151 VanDerWaalsContact CZ-CA 3.43Å; F149-L152 WeakPolarHBondContact CA-O 3.4Å; F149-L152 WeakPolarHBondContact CD2-O 3.33Å; F149-L153 HydrophobicContact CD2-CD2 4.08Å; F149-L153 HydrophobicContact CD2-CG 4.24Å; F149-F491 HydrophobicContact CB-CD1 3.88Å; F149-F491 HydrophobicContact CB-CE1 3.93Å; F149-F491 HydrophobicContact CG-CD1 4.22Å |
| 150 | N | 81.6 | Confident | 87.6 | Confident | 32 Ų | 32 | 64.7 Ų | 64.7 | 17% | 0.171 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -141.7 | 33.8 | 177.2 | 72.7 | -11.6 | 0 | 0 | 0 | 112.8 | F103 N130 L152 L154 | F103-N150 HydrophobicContact CD1-CB 4.47Å; F103-N150 HydrophobicContact CD2-CB 4.46Å; F103-N150 WeakPolarHBondContact CE1-O 3.31Å; F103-N150 HydrophobicContact CG-CB 4.35Å; F103-N150 WeakPolarHBondContact CZ-O 3.48Å; N130-N150 WeakPolarHBondContact O-CB 3.38Å; N150-L152 PolarHBondContact N-O 3.4Å; N150-L152 VanDerWaalsContact N-O 3.17Å; N150-L152 PolarHBondContact OD1-N 2.84Å; N150-L152 PolarHBondContact OD1-O 3.46Å; N150-L154 HydrophobicContact CB-CD1 4.27Å; N150-L154 WeakPolarHBondContact OD1-CD2 3.39Å |
| 151 | S | 77.3 | Confident | 87.7 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 58% | 0.58 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 94.5 | -25.8 | -160.1 | 74.5 | 0 | 0 | 0 | 0 | 114.2 | F149 | F149-S151 VanDerWaalsContact CE1-N 3.33Å; F149-S151 VanDerWaalsContact CZ-CA 3.43Å |
| 152 | L | 78.9 | Confident | 87.7 | Confident | 120 Ų | 120 | 60.1 Ų | 60.1 | 63% | 0.628 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -120.4 | 149.8 | 169.6 | -62.4 | 172.1 | 0 | 0 | 0 | 109 | F149 N150 L154 | F149-L152 WeakPolarHBondContact CA-O 3.4Å; F149-L152 WeakPolarHBondContact CD2-O 3.33Å; N150-L152 PolarHBondContact N-O 3.4Å; N150-L152 VanDerWaalsContact N-O 3.17Å; N150-L152 PolarHBondContact OD1-N 2.84Å; N150-L152 PolarHBondContact OD1-O 3.46Å; L152-L154 PolarHBondContact O-N 2.96Å |
| 153 | L | 82.1 | Confident | 87.3 | Confident | 136 Ų | 136 | 61.9 Ų | 61.9 | 71% | 0.712 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 122.1 | 167 | -75.1 | 169.2 | 0 | 0 | 0 | 108.3 | F149 | F149-L153 HydrophobicContact CD2-CD2 4.08Å; F149-L153 HydrophobicContact CD2-CG 4.24Å |
| 154 | L | 85.1 | Confident | 86.9 | Confident | 39 Ų | 39 | 64.3 Ų | 64.3 | 20% | 0.204 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 147.5 | -177.4 | -58.3 | 177.2 | 0 | 0 | 0 | 110.6 | R131 G147 G148 N150 L152 D156 | R131-L154 HydrophobicContact CB-CD1 4.13Å; G147-L154 WeakPolarHBondContact CA-O 3.31Å; G148-L154 WeakPolarHBondContact O-CB 3.39Å; G148-L154 PolarHBondContact O-N 3.36Å; N150-L154 HydrophobicContact CB-CD1 4.27Å; N150-L154 WeakPolarHBondContact OD1-CD2 3.39Å; L152-L154 PolarHBondContact O-N 2.96Å; L154-D156 WeakPolarHBondContact CB-OD1 3.47Å |
| 155 | S | 88.1 | Confident | 86.6 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 71% | 0.713 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 11.5 | 175.3 | 66.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 156 | D | 88.6 | Confident | 86.2 | Confident | 61 Ų | 61 | 64.5 Ų | 64.5 | 33% | 0.326 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 162.5 | 177 | 63.7 | -23.5 | 0 | 0 | 0 | 111.4 | R131 G147 L154 | R131-D156 IonicContact CZ-OD1 3.25Å; R131-D156 IonicContact CZ-OD2 3.47Å; R131-D156 IonicContact NH1-OD1 3.85Å; R131-D156 PolarHBondContact NH1-OD1 3.29Å; R131-D156 IonicContact NH1-OD2 2.86Å; R131-D156 PolarHBondContact NH1-OD2 2.86Å; R131-D156 IonicContact NH2-OD1 2.74Å; R131-D156 IonicContact NH2-OD2 3.84Å; R131-D156 PolarHBondContact NH2-OD2 3.38Å; G147-D156 PolarHBondContact N-O 3.17Å; L154-D156 WeakPolarHBondContact CB-OD1 3.47Å |
| 157 | I | 91.3 | Very high | 85.8 | Confident | 105 Ų | 105 | 62.5 Ų | 62.5 | 54% | 0.538 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120.7 | 174.5 | -63.7 | 167.6 | 0 | 0 | 0 | 107.2 | Y144 V145 F146 T159 | Y144-I157 HydrophobicContact CD1-CG2 4.1Å; V145-I157 CarbonylContact O-C 3.59Å; V145-I157 WeakPolarHBondContact O-CA 3.31Å; F146-I157 HydrophobicContact CD2-CD1 4.34Å; F146-I157 HydrophobicContact CD2-CG1 3.62Å; F146-I157 HydrophobicContact CE2-CG1 4.36Å; I157-T159 HydrophobicContact CG2-CG2 4.12Å |
| 158 | L | 90.5 | Very high | 85.6 | Confident | 30 Ų | 30 | 64.7 Ų | 64.7 | 16% | 0.157 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 141.8 | 166.1 | -49.3 | 175.7 | 0 | 0 | 0 | 108.7 | F86 V129 Y144 V145 | F86-L158 HydrophobicContact CE1-CD1 3.89Å; F86-L158 HydrophobicContact CZ-CD1 3.86Å; V129-L158 HydrophobicContact CB-CD1 3.88Å; V129-L158 HydrophobicContact CG1-CD1 3.97Å; V129-L158 HydrophobicContact CG1-CD2 3.87Å; Y144-L158 WeakPolarHBondContact CA-O 3.49Å; V145-L158 HydrophobicContact CB-CB 4.15Å; V145-L158 PolarHBondContact N-O 3.19Å; V145-L158 PolarHBondContact O-N 2.99Å |
| 159 | T | 90.8 | Very high | 85.4 | Confident | 91 Ų | 91 | 69.3 Ų | 69.3 | 56% | 0.558 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.9 | 176.7 | 56.8 | 0 | 0 | 0 | 0 | 109 | V142 M143 Y144 I157 | V142-T159 HydrophobicContact CG1-CG2 4.34Å; M143-T159 WeakPolarHBondContact O-CA 3.42Å; Y144-T159 HydrophobicContact CD1-CG2 3.65Å; Y144-T159 HydrophobicContact CE1-CG2 3.73Å; I157-T159 HydrophobicContact CG2-CG2 4.12Å |
| 160 | Y | 88.3 | Confident | 85.5 | Confident | 64 Ų | 64 | 68.8 Ų | 68.8 | 25% | 0.251 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 116.7 | 170.3 | 169.2 | -101.1 | 0 | 0 | 0 | 108 | L84 F107 V142 M143 | L84-Y160 HydrophobicContact CD1-CD1 4.15Å; L84-Y160 HydrophobicContact CD1-CE1 3.68Å; F107-Y160 HydrophobicContact CE1-CD1 4.15Å; F107-Y160 AromaticContact CE1-CD2 3.62Å; F107-Y160 HydrophobicContact CE1-CD2 3.62Å; F107-Y160 HydrophobicContact CE1-CE1 4.18Å; F107-Y160 AromaticContact CE1-CE2 3.67Å; F107-Y160 HydrophobicContact CE1-CE2 3.67Å; F107-Y160 AromaticContact CE1-CG 3.86Å; F107-Y160 HydrophobicContact CE1-CG 3.86Å; F107-Y160 AromaticContact CE1-CZ 3.94Å; F107-Y160 AromaticContact CZ-CD1 3.81Å; F107-Y160 HydrophobicContact CZ-CD1 3.81Å; F107-Y160 HydrophobicContact CZ-CD2 4.13Å; F107-Y160 AromaticContact CZ-CE1 3.95Å; F107-Y160 HydrophobicContact CZ-CE1 3.95Å; F107-Y160 HydrophobicContact CZ-CE2 4.27Å; F107-Y160 AromaticContact CZ-CG 3.88Å; F107-Y160 HydrophobicContact CZ-CG 3.88Å; V142-Y160 CarbonylContact C-O 3.5Å; V142-Y160 WeakPolarHBondContact CA-O 3.43Å; M143-Y160 HydrophobicContact CB-CD1 4.22Å; M143-Y160 PolarHBondContact N-O 2.78Å; M143-Y160 PolarHBondContact O-N 3.07Å |
| 161 | T | 88.6 | Confident | 85.6 | Confident | 96 Ų | 96 | 70.7 Ų | 70.7 | 59% | 0.589 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 112.8 | 176.8 | -55.1 | 0 | 0 | 0 | 0 | 108 | V142 | V142-T161 HydrophobicContact CG2-CG2 4.37Å |
| 162 | S | 83.8 | Confident | 85.8 | Confident | 8 Ų | 8 | 70.2 Ų | 70.2 | 6% | 0.056 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 140.8 | 177.6 | 59.6 | 0 | 0 | 0 | 0 | 110.3 | S141 | S141-S162 PolarHBondContact O-N 3.32Å; S141-S162 PolarHBondContact O-OG 2.88Å; S141-S162 VanDerWaalsContact O-OG 3.12Å |
| 163 | P | 81.7 | Confident | 86.1 | Confident | 56 Ų | 56 | 66 Ų | 66 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 151.1 | 170.2 | 18 | -22.3 | 0 | 0 | 0 | 110.9 | I181 | P163-I181 HydrophobicContact CB-CD1 3.85Å; P163-I181 HydrophobicContact CG-CD1 3.74Å; P163-I181 HydrophobicContact CG-CG1 4.2Å; P163-I181 HydrophobicContact CG-CG2 4.46Å; P163-I181 WeakPolarHBondContact O-CD1 3.37Å |
| 164 | S | 85.1 | Confident | 86.2 | Confident | 54 Ų | 54 | 59.5 Ų | 59.5 | 38% | 0.378 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -95.8 | 140.6 | 172.9 | 177.9 | 0 | 0 | 0 | 0 | 110 | S166 A167 | S164-S166 PolarHBondContact O-N 3.15Å; S164-S166 PolarHBondContact OG-N 2.99Å; S164-S166 PolarHBondContact OG-OG 3.49Å; S164-A167 WeakPolarHBondContact O-CB 3.36Å; S164-A167 PolarHBondContact O-N 3.18Å |
| 165 | C | 85.6 | Confident | 85.9 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.007 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -57.2 | -31 | 172.7 | -64.5 | 0 | 0 | 0 | 0 | 112 | A167 F168 C183 C192 P194 | C165-A167 PolarHBondContact O-N 3.3Å; C165-A167 VanDerWaalsContact O-N 3.11Å; C165-F168 WeakPolarHBondContact O-CD2 3.27Å; C165-F168 PolarHBondContact O-N 2.83Å; C165-F168 VanDerWaalsContact O-N 3.15Å; C165-C183 WeakPolarHBondContact CA-SG 3.47Å; C165-C183 HydrophobicContact CB-CB 3.72Å; C165-C183 WeakPolarHBondContact CB-SG 3.5Å; C165-C183 WeakPolarHBondContact SG-CB 2.99Å; C165-C183 CovalentContact SG-SG 2.03Å; C165-C183 PolarHBondContact SG-SG 2.96Å; C165-C192 CarbonylContact C-O 3.53Å; C165-C192 WeakPolarHBondContact O-CB 3.24Å; C165-C192 PolarHBondContact O-SG 2.89Å; C165-C192 VanDerWaalsContact O-SG 3.35Å; C165-P194 HydrophobicContact CB-CG 4.25Å; C165-P194 VanDerWaalsContact SG-CA 3.52Å |
| 166 | S | 85.3 | Confident | 85.4 | Confident | 97 Ų | 97 | 62.1 Ų | 62.1 | 68% | 0.678 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -65.1 | -13.6 | 176.6 | 66.1 | 0 | 0 | 0 | 0 | 114.2 | S164 F168 | S164-S166 PolarHBondContact O-N 3.15Å; S164-S166 PolarHBondContact OG-N 2.99Å; S164-S166 PolarHBondContact OG-OG 3.49Å; S166-F168 PolarHBondContact O-N 3.38Å |
| 167 | A | 85.3 | Confident | 85 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 60% | 0.603 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -73.8 | -16.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S164 C165 | S164-A167 WeakPolarHBondContact O-CB 3.36Å; S164-A167 PolarHBondContact O-N 3.18Å; C165-A167 PolarHBondContact O-N 3.3Å; C165-A167 VanDerWaalsContact O-N 3.11Å |
| 168 | F | 86.8 | Confident | 84.1 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | trans | -99.3 | 115.1 | -177.7 | -55.1 | -80.6 | 0 | 0 | 0 | 110.7 | C165 S166 S173 C174 A177 I181 C192 | C165-F168 WeakPolarHBondContact O-CD2 3.27Å; C165-F168 PolarHBondContact O-N 2.83Å; C165-F168 VanDerWaalsContact O-N 3.15Å; S166-F168 PolarHBondContact O-N 3.38Å; F168-S173 WeakPolarHBondContact CD1-O 3.47Å; F168-C174 HydrophobicContact CB-CB 4.17Å; F168-A177 HydrophobicContact CD2-CB 3.86Å; F168-A177 HydrophobicContact CE1-CB 4.28Å; F168-A177 HydrophobicContact CE2-CB 3.53Å; F168-A177 HydrophobicContact CG-CB 4.39Å; F168-A177 HydrophobicContact CZ-CB 3.74Å; F168-I181 HydrophobicContact CE2-CD1 3.87Å; F168-C192 HydrophobicContact CB-CB 4.13Å; F168-C192 WeakPolarHBondContact O-CB 3.03Å | ||
| 169 | S | 85.4 | Confident | 83.5 | Confident | 108 Ų | 108 | 57.8 Ų | 57.8 | 76% | 0.755 | 36% | 0.361 | S | S | * | . | trans | -99.4 | -1 | -174.7 | 57 | 0 | 0 | 0 | 0 | 114.1 | W185 | S169-W185 WeakPolarHBondContact O-CH2 3.05Š| ||
| 170 | S | 85.4 | Confident | 82.7 | Confident | 40 Ų | 40 | 53.5 Ų | 53.5 | 28% | 0.28 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -124.6 | 150.3 | 178 | 75.2 | 0 | 0 | 0 | 0 | 111.9 | S172 S173 C174 | S170-S172 VanDerWaalsContact C-N 3.26Å; S170-S172 PolarHBondContact O-N 3.29Å; S170-S172 PolarHBondContact OG-OG 3.12Å; S170-S173 PolarHBondContact N-OG 2.79Å; S170-S173 PolarHBondContact O-N 2.94Å; S170-S173 PolarHBondContact O-OG 2.88Å; S170-S173 VanDerWaalsContact O-OG 3.05Å; S170-S173 VanDerWaalsContact OG-CB 3.26Å; S170-S173 WeakPolarHBondContact OG-CB 3.36Å; S170-S173 PolarHBondContact OG-N 2.99Å; S170-S173 VanDerWaalsContact OG-N 3.15Å; S170-S173 PolarHBondContact OG-OG 2.96Å; S170-C174 VanDerWaalsContact O-CB 3.27Å; S170-C174 WeakPolarHBondContact O-CB 3.41Å; S170-C174 PolarHBondContact O-N 2.8Å |
| 171 | P | 83.6 | Confident | 82.4 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 47% | 0.468 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.1 | -40.9 | 176.7 | -19.6 | 25.6 | 0 | 0 | 0 | 112.9 | S175 W185 | P171-S175 PolarHBondContact O-N 2.87Å; P171-S175 PolarHBondContact O-OG 3.04Å; P171-W185 HydrophobicContact CB-CB 4.41Å; P171-W185 HydrophobicContact CB-CD2 4.04Å; P171-W185 HydrophobicContact CB-CG 3.86Å; P171-W185 HydrophobicContact CG-CD2 3.95Å; P171-W185 HydrophobicContact CG-CG 4.14Å; P171-W185 HydrophobicContact CG-CZ2 4.08Å |
| 172 | S | 82.5 | Confident | 82.2 | Confident | 73 Ų | 73 | 46.5 Ų | 46.5 | 51% | 0.51 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.8 | -47.7 | 179.8 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | S170 C174 S175 Q176 | S170-S172 VanDerWaalsContact C-N 3.26Å; S170-S172 PolarHBondContact O-N 3.29Å; S170-S172 PolarHBondContact OG-OG 3.12Å; S172-C174 VanDerWaalsContact C-N 3.34Å; S172-C174 PolarHBondContact O-N 3.04Å; S172-S175 PolarHBondContact O-N 2.94Å; S172-S175 PolarHBondContact O-OG 3.44Å; S172-Q176 WeakPolarHBondContact O-CG 3.38Å; S172-Q176 PolarHBondContact O-N 3.23Å; S172-Q176 VanDerWaalsContact O-N 3.08Å |
| 173 | S | 84.8 | Confident | 82.2 | Confident | 30 Ų | 30 | 46.6 Ų | 46.6 | 21% | 0.21 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.4 | -36.3 | 178.6 | 64.1 | 0 | 0 | 0 | 0 | 112.1 | F168 S170 Q176 A177 | F168-S173 WeakPolarHBondContact CD1-O 3.47Å; S170-S173 PolarHBondContact N-OG 2.79Å; S170-S173 PolarHBondContact O-N 2.94Å; S170-S173 PolarHBondContact O-OG 2.88Å; S170-S173 VanDerWaalsContact O-OG 3.05Å; S170-S173 VanDerWaalsContact OG-CB 3.26Å; S170-S173 WeakPolarHBondContact OG-CB 3.36Å; S170-S173 PolarHBondContact OG-N 2.99Å; S170-S173 VanDerWaalsContact OG-N 3.15Å; S170-S173 PolarHBondContact OG-OG 2.96Å; S173-Q176 CarbonylContact O-C 3.46Å; S173-Q176 PolarHBondContact O-N 3.1Å; S173-A177 PolarHBondContact O-N 2.74Å; S173-A177 VanDerWaalsContact O-N 3.11Å |
| 174 | C | 83.8 | Confident | 82.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 174.3 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | F168 S170 S172 Q176 A177 W185 C192 | F168-C174 HydrophobicContact CB-CB 4.17Å; S170-C174 VanDerWaalsContact O-CB 3.27Å; S170-C174 WeakPolarHBondContact O-CB 3.41Å; S170-C174 PolarHBondContact O-N 2.8Å; S172-C174 VanDerWaalsContact C-N 3.34Å; S172-C174 PolarHBondContact O-N 3.04Å; C174-Q176 VanDerWaalsContact C-N 3.27Å; C174-Q176 PolarHBondContact O-N 3.02Å; C174-A177 VanDerWaalsContact O-CB 3.24Å; C174-A177 WeakPolarHBondContact O-CB 3.17Å; C174-A177 PolarHBondContact O-N 3.07Å; C174-W185 HydrophobicContact CB-CB 4.33Å; C174-W185 HydrophobicContact CB-CE3 3.85Å; C174-W185 PolarHBondContact SG-N 2.84Å; C174-W185 VanDerWaalsContact SG-N 3.45Å; C174-C192 VanDerWaalsContact CA-SG 3.55Å; C174-C192 HydrophobicContact CB-CB 3.65Å; C174-C192 WeakPolarHBondContact CB-SG 3.49Å; C174-C192 WeakPolarHBondContact SG-CB 3.4Å; C174-C192 CovalentContact SG-SG 2.02Å; C174-C192 PolarHBondContact SG-SG 2.87Å |
| 175 | S | 77.8 | Confident | 82.3 | Confident | 62 Ų | 62 | 45.2 Ų | 45.2 | 43% | 0.434 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.2 | -24 | 176.1 | 67.2 | 0 | 0 | 0 | 0 | 113.6 | P171 S172 | P171-S175 PolarHBondContact O-N 2.87Å; P171-S175 PolarHBondContact O-OG 3.04Å; S172-S175 PolarHBondContact O-N 2.94Å; S172-S175 PolarHBondContact O-OG 3.44Å |
| 176 | Q | 79.2 | Confident | 82.2 | Confident | 134 Ų | 134 | 46.1 Ų | 46.1 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 7.1 | 176.4 | -69 | 177.6 | -5.6 | 0 | 0 | 113 | S172 S173 C174 W178 | S172-Q176 WeakPolarHBondContact O-CG 3.38Å; S172-Q176 PolarHBondContact O-N 3.23Å; S172-Q176 VanDerWaalsContact O-N 3.08Å; S173-Q176 CarbonylContact O-C 3.46Å; S173-Q176 PolarHBondContact O-N 3.1Å; C174-Q176 VanDerWaalsContact C-N 3.27Å; C174-Q176 PolarHBondContact O-N 3.02Å; Q176-W178 PolarHBondContact O-N 3.34Å; Q176-W178 VanDerWaalsContact O-O 3.05Å |
| 177 | A | 78.9 | Confident | 81.8 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | trans | -64.9 | -16.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | F168 S173 C174 I181 C183 | F168-A177 HydrophobicContact CD2-CB 3.86Å; F168-A177 HydrophobicContact CE1-CB 4.28Å; F168-A177 HydrophobicContact CE2-CB 3.53Å; F168-A177 HydrophobicContact CG-CB 4.39Å; F168-A177 HydrophobicContact CZ-CB 3.74Å; S173-A177 PolarHBondContact O-N 2.74Å; S173-A177 VanDerWaalsContact O-N 3.11Å; C174-A177 VanDerWaalsContact O-CB 3.24Å; C174-A177 WeakPolarHBondContact O-CB 3.17Å; C174-A177 PolarHBondContact O-N 3.07Å; A177-I181 HydrophobicContact CB-CD1 4.13Å; A177-I181 HydrophobicContact CB-CG1 4.13Å; A177-I181 WeakPolarHBondContact O-CG1 3.36Å; A177-C183 HydrophobicContact CB-CB 4.12Å | ||
| 178 | W | 73.4 | Confident | 81.7 | Confident | 40 Ų | 40 | 45.8 Ų | 45.8 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 137.9 | 168 | -177.8 | -100.9 | 0 | 0 | 0 | 110.9 | A82 A109 S111 T118 Q176 | A82-W178 HydrophobicContact CB-CZ3 3.94Å; A109-W178 HydrophobicContact CB-CH2 3.97Å; S111-W178 VanDerWaalsContact CB-CH2 3.49Å; T118-W178 WeakPolarHBondContact OG1-CZ2 3.29Å; T118-W178 PolarHBondContact OG1-NE1 3.25Å; Q176-W178 PolarHBondContact O-N 3.34Å; Q176-W178 VanDerWaalsContact O-O 3.05Å |
| 179 | P | 76.7 | Confident | 81.4 | Confident | 57 Ų | 57 | 49.2 Ų | 49.2 | 37% | 0.37 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -95.8 | 151.8 | 14 | 36.4 | -35 | 0 | 0 | 0 | 115.9 | T118 L120 | T118-P179 HydrophobicContact CG2-CB 3.69Å; T118-P179 HydrophobicContact CG2-CG 3.99Å; L120-P179 HydrophobicContact CD2-CB 3.67Å; L120-P179 HydrophobicContact CD2-CG 3.73Å |
| 180 | G | 74.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 110.3 | -24.5 | 173 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 181 | I | 83.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -139 | 149.2 | 167.2 | 58.1 | 175.1 | 0 | 0 | 0 | 108.9 | V79 P163 F168 A177 C183 | V79-I181 HydrophobicContact CG1-CG2 3.99Å; P163-I181 HydrophobicContact CB-CD1 3.85Å; P163-I181 HydrophobicContact CG-CD1 3.74Å; P163-I181 HydrophobicContact CG-CG1 4.2Å; P163-I181 HydrophobicContact CG-CG2 4.46Å; P163-I181 WeakPolarHBondContact O-CD1 3.37Å; F168-I181 HydrophobicContact CE2-CD1 3.87Å; A177-I181 HydrophobicContact CB-CD1 4.13Å; A177-I181 HydrophobicContact CB-CG1 4.13Å; A177-I181 WeakPolarHBondContact O-CG1 3.36Å; I181-C183 VanDerWaalsContact CD1-SG 3.6Å |
| 182 | H | 82.9 | Confident | 81.4 | Confident | 14 Ų | 14 | 43 Ų | 43 | 7% | 0.065 | 28% | 0.275 | C | S | . | . | trans | -112.3 | 116.2 | 174.5 | -153.5 | -66.1 | 0 | 0 | 0 | 110 | S80 S111 W195 V211 | S80-H182 PolarHBondContact O-N 3.22Å; S111-H182 PolarHBondContact OG-CD2 2.91Å; H182-W195 HydrophobicContact CB-CB 4.07Å; H182-W195 WeakPolarHBondContact O-CB 2.95Å; H182-W195 PolarHBondContact O-N 2.81Å; H182-V211 VanDerWaalsContact CE1-CG1 3.42Å; H182-V211 WeakPolarHBondContact CE1-CG1 3.26Å | ||
| 183 | C | 84.9 | Confident | 81.5 | Confident | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.061 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 153.4 | -176.9 | -51.5 | 0 | 0 | 0 | 0 | 111.5 | C165 A177 I181 C192 L193 | C165-C183 WeakPolarHBondContact CA-SG 3.47Å; C165-C183 HydrophobicContact CB-CB 3.72Å; C165-C183 WeakPolarHBondContact CB-SG 3.5Å; C165-C183 WeakPolarHBondContact SG-CB 2.99Å; C165-C183 CovalentContact SG-SG 2.03Å; C165-C183 PolarHBondContact SG-SG 2.96Å; A177-C183 HydrophobicContact CB-CB 4.12Å; I181-C183 VanDerWaalsContact CD1-SG 3.6Å; C183-C192 WeakPolarHBondContact CB-SG 3.18Å; C183-L193 CarbonylContact C-O 3.51Å; C183-L193 VanDerWaalsContact CA-O 3.31Å; C183-L193 WeakPolarHBondContact CA-O 3.48Å |
| 184 | V | 84.3 | Confident | 81.4 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.4 | -179.2 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | N186 L193 W195 F209 | V184-N186 PolarHBondContact O-N 3.27Å; V184-L193 PolarHBondContact N-O 2.8Å; V184-L193 PolarHBondContact O-N 2.81Å; V184-W195 HydrophobicContact CG2-CB 3.99Å; V184-W195 HydrophobicContact CG2-CG 4.33Å; V184-F209 HydrophobicContact CG1-CB 3.75Å; V184-F209 HydrophobicContact CG1-CD1 3.25Å; V184-F209 HydrophobicContact CG1-CE1 4.03Å; V184-F209 HydrophobicContact CG1-CG 3.71Å |
| 185 | W | 82.9 | Confident | 81.4 | Confident | 60 Ų | 60 | 46.3 Ų | 46.3 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 121.1 | 176.2 | -176 | -98.7 | 0 | 0 | 0 | 110.9 | S169 P171 C174 G187 G190 C192 | S169-W185 WeakPolarHBondContact O-CH2 3.05Å; P171-W185 HydrophobicContact CB-CB 4.41Å; P171-W185 HydrophobicContact CB-CD2 4.04Å; P171-W185 HydrophobicContact CB-CG 3.86Å; P171-W185 HydrophobicContact CG-CD2 3.95Å; P171-W185 HydrophobicContact CG-CG 4.14Å; P171-W185 HydrophobicContact CG-CZ2 4.08Å; C174-W185 HydrophobicContact CB-CB 4.33Å; C174-W185 HydrophobicContact CB-CE3 3.85Å; C174-W185 PolarHBondContact SG-N 2.84Å; C174-W185 VanDerWaalsContact SG-N 3.45Å; W185-G187 PolarHBondContact O-N 2.81Å; W185-G190 VanDerWaalsContact CH2-C 3.44Å; W185-G190 WeakPolarHBondContact CH2-O 3.02Å; W185-G190 VanDerWaalsContact CZ2-C 3.43Å; W185-C192 HydrophobicContact CE3-CB 3.91Å; W185-C192 HydrophobicContact CZ3-CB 4.13Å |
| 186 | N | 83.6 | Confident | 81.1 | Confident | 20 Ų | 20 | 50.6 Ų | 50.6 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 101.7 | 171.9 | -170.7 | -32.7 | 0 | 0 | 0 | 109.7 | V184 S188 L189 G190 A191 L193 F209 | V184-N186 PolarHBondContact O-N 3.27Å; N186-S188 PolarHBondContact O-N 3.34Å; N186-S188 WeakPolarHBondContact OD1-CB 3.48Å; N186-S188 PolarHBondContact OD1-N 2.86Å; N186-S188 PolarHBondContact OD1-OG 3.21Å; N186-L189 HydrophobicContact CB-CB 4.22Å; N186-L189 WeakPolarHBondContact ND2-CD1 3.35Å; N186-L189 PolarHBondContact O-N 2.91Å; N186-L189 PolarHBondContact OD1-N 2.93Å; N186-L189 VanDerWaalsContact OD1-N 3.12Å; N186-G190 PolarHBondContact O-N 3Å; N186-A191 WeakPolarHBondContact CB-O 3.03Å; N186-A191 PolarHBondContact N-O 2.88Å; N186-A191 PolarHBondContact O-N 2.89Å; N186-L193 HydrophobicContact CB-CD1 3.99Å; N186-L193 HydrophobicContact CB-CG 4.49Å; N186-F209 HydrophobicContact CB-CE1 4.48Å |
| 187 | G | 77.8 | Confident | 80.4 | Confident | 61 Ų | 61 | 45.8 Ų | 45.8 | 63% | 0.629 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -30.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | W185 | W185-G187 PolarHBondContact O-N 2.81Š|
| 188 | S | 82.3 | Confident | 79.2 | Confident | 102 Ų | 102 | 50.9 Ų | 50.9 | 71% | 0.713 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -33.1 | 177.8 | 12.9 | 0 | 0 | 0 | 0 | 113.5 | N186 | N186-S188 PolarHBondContact O-N 3.34Å; N186-S188 WeakPolarHBondContact OD1-CB 3.48Å; N186-S188 PolarHBondContact OD1-N 2.86Å; N186-S188 PolarHBondContact OD1-OG 3.21Å |
| 189 | L | 80.7 | Confident | 77.3 | Confident | 121 Ų | 121 | 53 Ų | 53 | 63% | 0.634 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -8.2 | 178.4 | -65.6 | 176.7 | 0 | 0 | 0 | 113.2 | N186 A191 L193 | N186-L189 HydrophobicContact CB-CB 4.22Å; N186-L189 WeakPolarHBondContact ND2-CD1 3.35Å; N186-L189 PolarHBondContact O-N 2.91Å; N186-L189 PolarHBondContact OD1-N 2.93Å; N186-L189 VanDerWaalsContact OD1-N 3.12Å; L189-A191 HydrophobicContact CB-CB 4.24Å; L189-A191 PolarHBondContact O-N 3.49Å; L189-L193 HydrophobicContact CD1-CD1 4.26Å |
| 190 | G | 83.8 | Confident | 75.2 | Confident | 46 Ų | 46 | 55.3 Ų | 55.3 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 29.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | W185 N186 | W185-G190 VanDerWaalsContact CH2-C 3.44Å; W185-G190 WeakPolarHBondContact CH2-O 3.02Å; W185-G190 VanDerWaalsContact CZ2-C 3.43Å; N186-G190 PolarHBondContact O-N 3Å |
| 191 | A | 85.4 | Confident | 73.3 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 31% | 0.314 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 146.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N186 L189 | N186-A191 WeakPolarHBondContact CB-O 3.03Å; N186-A191 PolarHBondContact N-O 2.88Å; N186-A191 PolarHBondContact O-N 2.89Å; L189-A191 HydrophobicContact CB-CB 4.24Å; L189-A191 PolarHBondContact O-N 3.49Å |
| 192 | C | 85.6 | Confident | 70.8 | Confident | 6 Ų | 6 | 67.9 Ų | 67.9 | 4% | 0.041 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122.9 | 173.5 | -173.5 | 0 | 0 | 0 | 0 | 110.1 | C165 F168 C174 C183 W185 | C165-C192 CarbonylContact C-O 3.53Å; C165-C192 WeakPolarHBondContact O-CB 3.24Å; C165-C192 PolarHBondContact O-SG 2.89Å; C165-C192 VanDerWaalsContact O-SG 3.35Å; F168-C192 HydrophobicContact CB-CB 4.13Å; F168-C192 WeakPolarHBondContact O-CB 3.03Å; C174-C192 VanDerWaalsContact CA-SG 3.55Å; C174-C192 HydrophobicContact CB-CB 3.65Å; C174-C192 WeakPolarHBondContact CB-SG 3.49Å; C174-C192 WeakPolarHBondContact SG-CB 3.4Å; C174-C192 CovalentContact SG-SG 2.02Å; C174-C192 PolarHBondContact SG-SG 2.87Å; C183-C192 WeakPolarHBondContact CB-SG 3.18Å; W185-C192 HydrophobicContact CE3-CB 3.91Å; W185-C192 HydrophobicContact CZ3-CB 4.13Å |
| 193 | L | 85.9 | Confident | 68.3 | Low | 72 Ų | 72 | 75 Ų | 75 | 38% | 0.377 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 154.1 | -176.5 | -61.2 | 175.9 | 0 | 0 | 0 | 110.5 | C183 V184 N186 L189 | C183-L193 CarbonylContact C-O 3.51Å; C183-L193 VanDerWaalsContact CA-O 3.31Å; C183-L193 WeakPolarHBondContact CA-O 3.48Å; V184-L193 PolarHBondContact N-O 2.8Å; V184-L193 PolarHBondContact O-N 2.81Å; N186-L193 HydrophobicContact CB-CD1 3.99Å; N186-L193 HydrophobicContact CB-CG 4.49Å; L189-L193 HydrophobicContact CD1-CD1 4.26Å |
| 194 | P | 82.6 | Confident | 65.9 | Low | 63 Ų | 63 | 82.1 Ų | 82.1 | 41% | 0.409 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 146.3 | 169 | -22.3 | 34.1 | 0 | 0 | 0 | 111.8 | C165 E196 | C165-P194 HydrophobicContact CB-CG 4.25Å; C165-P194 VanDerWaalsContact SG-CA 3.52Å; P194-E196 PolarHBondContact O-N 3.45Å |
| 195 | W | 82.7 | Confident | 63.4 | Low | 38 Ų | 38 | 84.6 Ų | 84.6 | 14% | 0.144 | 53% | 0.527 | C | S | . | . | trans | -67.7 | 123.6 | 171.1 | 176.2 | 81.3 | 0 | 0 | 0 | 109.8 | L112 A113 H182 V184 P197 | L112-W195 HydrophobicContact CB-CH2 4.09Å; L112-W195 HydrophobicContact CB-CZ3 3.74Å; A113-W195 HydrophobicContact CB-CD2 3.9Å; A113-W195 HydrophobicContact CB-CE3 4.42Å; A113-W195 HydrophobicContact CB-CG 4.34Å; A113-W195 HydrophobicContact CB-CH2 4.21Å; A113-W195 HydrophobicContact CB-CZ2 3.7Å; H182-W195 HydrophobicContact CB-CB 4.07Å; H182-W195 WeakPolarHBondContact O-CB 2.95Å; H182-W195 PolarHBondContact O-N 2.81Å; V184-W195 HydrophobicContact CG2-CB 3.99Å; V184-W195 HydrophobicContact CG2-CG 4.33Å; W195-P197 HydrophobicContact CH2-CB 3.93Å; W195-P197 HydrophobicContact CH2-CG 3.91Å; W195-P197 HydrophobicContact CZ2-CB 4.14Å; W195-P197 HydrophobicContact CZ2-CG 4.5Å; W195-P197 HydrophobicContact CZ3-CB 4.45Å; W195-P197 HydrophobicContact CZ3-CG 3.95Å | ||
| 196 | E | 72.1 | Confident | 60.9 | Low | 151 Ų | 151 | 85.5 Ų | 85.5 | 71% | 0.706 | 55% | 0.548 | S | S | * | . | trans | -113.3 | 136.4 | 167.8 | -75.1 | -175.6 | 171.3 | 0 | 0 | 109.5 | P194 T198 | P194-E196 PolarHBondContact O-N 3.45Å; E196-T198 PolarHBondContact O-N 2.66Å | ||
| 197 | P | 64.1 | Low | 58.5 | Low | 33 Ų | 33 | 89.1 Ų | 89.1 | 21% | 0.214 | 57% | 0.571 | C | S | . | * | trans | -71.6 | 102.5 | 170.4 | 9.2 | 4.8 | 0 | 0 | 0 | 107.6 | S27 T28 W195 A199 | S27-P197 VanDerWaalsContact OG-CD 3.24Å; S27-P197 WeakPolarHBondContact OG-CD 3.43Å; S27-P197 VanDerWaalsContact OG-CG 3.31Å; S27-P197 WeakPolarHBondContact OG-CG 3.43Å; T28-P197 HydrophobicContact CG2-CB 3.7Å; T28-P197 HydrophobicContact CG2-CG 3.21Å; W195-P197 HydrophobicContact CH2-CB 3.93Å; W195-P197 HydrophobicContact CH2-CG 3.91Å; W195-P197 HydrophobicContact CZ2-CB 4.14Å; W195-P197 HydrophobicContact CZ2-CG 4.5Å; W195-P197 HydrophobicContact CZ3-CB 4.45Å; W195-P197 HydrophobicContact CZ3-CG 3.95Å; P197-A199 PolarHBondContact O-N 3.1Å | ||
| 198 | T | 52.7 | Low | 56.6 | Low | 116 Ų | 116 | 98 Ų | 98 | 71% | 0.712 | 59% | 0.585 | S | S | * | * | trans | -52.8 | 113.2 | 179.4 | 44.2 | 0 | 0 | 0 | 0 | 111 | E196 | E196-T198 PolarHBondContact O-N 2.66Š| ||
| 199 | A | 35.4 | Very low | 54.9 | Low | 84 Ų | 84 | 97.5 Ų | 97.5 | 69% | 0.694 | 57% | 0.57 | S | S | * | * | trans | -73.1 | 128.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | P197 | P197-A199 PolarHBondContact O-N 3.1Š| ||
| 200 | T | 32.2 | Very low | 53.3 | Low | 105 Ų | 105 | 96.9 Ų | 96.9 | 64% | 0.644 | 58% | 0.576 | S | S | * | * | trans | 72.8 | 132 | 167.3 | 67.2 | 0 | 0 | 0 | 0 | 118.9 | D202 | T200-D202 VanDerWaalsContact C-N 3.31Å; T200-D202 PolarHBondContact O-N 3.43Å | ||
| 201 | P | 33.8 | Very low | 52 | Low | 129 Ų | 129 | 96.7 Ų | 96.7 | 84% | 0.838 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -86.1 | 23.7 | 175.5 | 36 | -35.2 | 0 | 0 | 0 | 114.7 | ||
| 202 | D | 30.1 | Very low | 50.8 | Low | 135 Ų | 135 | 101.9 Ų | 101.9 | 72% | 0.722 | 58% | 0.582 | S | S | * | * | trans | -108.4 | 7.3 | -173 | -83 | -22.4 | 0 | 0 | 0 | 115.8 | T200 | T200-D202 VanDerWaalsContact C-N 3.31Å; T200-D202 PolarHBondContact O-N 3.43Å | ||
| 203 | H | 31.4 | Very low | 49.8 | Very low | 163 Ų | 163 | 103.7 Ų | 103.7 | 76% | 0.755 | 59% | 0.593 | S | S | * | * | trans | -107.8 | 97.9 | 169.5 | -75 | -46 | 0 | 0 | 0 | 111.9 | G205 | H203-G205 PolarHBondContact O-N 2.84Š| ||
| 204 | V | 35.2 | Very low | 48.4 | Very low | 160 Ų | 160 | 107.8 Ų | 107.8 | 97% | 0.97 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.6 | 105.1 | 163.5 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 205 | G | 31.1 | Very low | 46.7 | Very low | 73 Ų | 73 | 110.4 Ų | 110.4 | 75% | 0.753 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.7 | -4.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | H203 T207 | H203-G205 PolarHBondContact O-N 2.84Å; G205-T207 PolarHBondContact O-N 2.86Å |
| 206 | A | 29.5 | Very low | 44.9 | Very low | 79 Ų | 79 | 118.7 Ų | 118.7 | 65% | 0.653 | 65% | 0.651 | S | S | * | * | trans | -78.2 | 103.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | R208 | A206-R208 PolarHBondContact O-N 3.43Š| ||
| 207 | T | 34.1 | Very low | 43.6 | Very low | 96 Ų | 96 | 119.4 Ų | 119.4 | 59% | 0.589 | 65% | 0.654 | S | S | * | * | trans | -46.1 | 123.2 | 167.8 | 39 | 0 | 0 | 0 | 0 | 110.1 | G205 F209 | G205-T207 PolarHBondContact O-N 2.86Å; T207-F209 WeakPolarHBondContact O-CD2 3.41Å; T207-F209 PolarHBondContact O-N 3.23Å | ||
| 208 | R | 38.3 | Very low | 42.5 | Very low | 247 Ų | 247 | 121.8 Ų | 121.8 | 93% | 0.932 | 67% | 0.668 | S | S | * | * | trans | -51.8 | 101.8 | 171.7 | -77.4 | 178.7 | 175.3 | 174 | -2.1 | 109.1 | A206 S210 | A206-R208 PolarHBondContact O-N 3.43Å; R208-S210 PolarHBondContact O-N 2.92Å | ||
| 209 | F | 46.3 | Very low | 42.1 | Very low | 92 Ų | 92 | 124 Ų | 124 | 40% | 0.404 | 68% | 0.675 | S | S | . | * | trans | -71.4 | 98.4 | 169.4 | -71 | -74 | 0 | 0 | 0 | 107.8 | V184 N186 T207 V211 | V184-F209 HydrophobicContact CG1-CB 3.75Å; V184-F209 HydrophobicContact CG1-CD1 3.25Å; V184-F209 HydrophobicContact CG1-CE1 4.03Å; V184-F209 HydrophobicContact CG1-CG 3.71Å; N186-F209 HydrophobicContact CB-CE1 4.48Å; T207-F209 WeakPolarHBondContact O-CD2 3.41Å; T207-F209 PolarHBondContact O-N 3.23Å; F209-V211 PolarHBondContact O-N 2.53Å; F209-V211 VanDerWaalsContact O-N 3.16Å | ||
| 210 | S | 46.7 | Very low | 42.5 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 76% | 0.755 | 66% | 0.661 | S | S | * | * | trans | -72 | 106.6 | 175.6 | 57.9 | 0 | 0 | 0 | 0 | 109.2 | R208 F212 | R208-S210 PolarHBondContact O-N 2.92Å; S210-F212 PolarHBondContact O-N 2.87Å | ||
| 211 | V | 56.3 | Low | 43.4 | Very low | 42 Ų | 42 | 120.3 Ų | 120.3 | 26% | 0.255 | 65% | 0.647 | S | S | . | * | trans | -62.9 | 119.7 | 167.1 | 177.9 | 0 | 0 | 0 | 0 | 107.6 | A113 C114 H182 F209 C213 | A113-V211 HydrophobicContact CB-CG1 3.65Å; A113-V211 HydrophobicContact CB-CG2 4.21Å; C114-V211 VanDerWaalsContact SG-CG1 3.58Å; H182-V211 VanDerWaalsContact CE1-CG1 3.42Å; H182-V211 WeakPolarHBondContact CE1-CG1 3.26Å; F209-V211 PolarHBondContact O-N 2.53Å; F209-V211 VanDerWaalsContact O-N 3.16Å; V211-C213 VanDerWaalsContact CG1-SG 3.53Å; V211-C213 PolarHBondContact O-N 2.92Å | ||
| 212 | F | 60.2 | Low | 44.2 | Very low | 148 Ų | 148 | 118 Ų | 118 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | trans | -86.6 | 93.6 | 177.5 | -160.3 | -89.9 | 0 | 0 | 0 | 109.1 | S210 | S210-F212 PolarHBondContact O-N 2.87Š| ||
| 213 | C | 65.6 | Low | 45.4 | Very low | 43 Ų | 43 | 118.7 Ų | 118.7 | 29% | 0.291 | 63% | 0.626 | S | S | . | * | trans | -87.9 | 131.1 | 175.6 | -57.9 | 0 | 0 | 0 | 0 | 109.7 | C114 V211 T215 | C114-C213 WeakPolarHBondContact CA-SG 3.07Å; C114-C213 HydrophobicContact CB-CB 3.72Å; C114-C213 WeakPolarHBondContact CB-SG 3.35Å; C114-C213 WeakPolarHBondContact SG-CA 3.46Å; C114-C213 WeakPolarHBondContact SG-CB 3.49Å; C114-C213 CovalentContact SG-SG 2.04Å; C114-C213 PolarHBondContact SG-SG 2.81Å; V211-C213 VanDerWaalsContact CG1-SG 3.53Å; V211-C213 PolarHBondContact O-N 2.92Å; C213-T215 PolarHBondContact O-N 2.83Å | ||
| 214 | W | 56.7 | Low | 47.3 | Very low | 158 Ų | 158 | 114.5 Ų | 114.5 | 60% | 0.598 | 60% | 0.604 | S | S | * | * | trans | -72.3 | 91.4 | 177.2 | -71.9 | 87.5 | 0 | 0 | 0 | 109.2 | R216 | W214-R216 PolarHBondContact O-N 3.45Š| ||
| 215 | T | 46.8 | Very low | 49.5 | Very low | 119 Ų | 119 | 106.9 Ų | 106.9 | 73% | 0.73 | 56% | 0.558 | S | S | * | * | trans | -67.1 | 92.7 | 175.6 | 48.8 | 0 | 0 | 0 | 0 | 110.4 | C213 Q217 | C213-T215 PolarHBondContact O-N 2.83Å; T215-Q217 VanDerWaalsContact C-N 3.28Å; T215-Q217 PolarHBondContact O-N 2.94Å | ||
| 216 | R | 45.2 | Very low | 51.8 | Low | 212 Ų | 212 | 110.4 Ų | 110.4 | 80% | 0.8 | 55% | 0.554 | S | S | * | * | trans | -82.3 | 82.8 | 149.8 | -88.9 | -173.7 | 175.5 | -178.5 | 0.3 | 107.5 | W214 T218 | W214-R216 PolarHBondContact O-N 3.45Å; R216-T218 VanDerWaalsContact C-N 3.29Å; R216-T218 PolarHBondContact O-N 3.41Å | ||
| 217 | Q | 43.3 | Very low | 54.2 | Low | 166 Ų | 166 | 113.1 Ų | 113.1 | 78% | 0.776 | 55% | 0.554 | S | S | * | * | trans | -65.8 | 96.7 | 159.7 | -82.5 | 175.3 | -21.8 | 0 | 0 | 107.1 | T215 | T215-Q217 VanDerWaalsContact C-N 3.28Å; T215-Q217 PolarHBondContact O-N 2.94Å | ||
| 218 | T | 42.5 | Very low | 56.7 | Low | 82 Ų | 82 | 110 Ų | 110 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | trans | -110.2 | 139.3 | 167.2 | 48 | 0 | 0 | 0 | 0 | 108.2 | R216 A220 | R216-T218 VanDerWaalsContact C-N 3.29Å; R216-T218 PolarHBondContact O-N 3.41Å; T218-A220 PolarHBondContact O-N 3.38Å | ||
| 219 | D | 42.7 | Very low | 58.9 | Low | 163 Ų | 163 | 102.8 Ų | 102.8 | 87% | 0.872 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -52.1 | 0.7 | 179.5 | -69.5 | -53 | 0 | 0 | 0 | 116.3 | D221 | D219-D221 VanDerWaalsContact C-N 3.32Å; D219-D221 PolarHBondContact O-N 2.88Å |
| 220 | A | 45.1 | Very low | 60.8 | Low | 48 Ų | 48 | 98.5 Ų | 98.5 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -78.4 | -4.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | T218 | T218-A220 PolarHBondContact O-N 3.38Š|
| 221 | D | 49.8 | Very low | 62.7 | Low | 64 Ų | 64 | 93.3 Ų | 93.3 | 34% | 0.342 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -79.5 | -17.2 | 179.5 | -69.4 | -28.7 | 0 | 0 | 0 | 113.3 | D219 R224 | D219-D221 VanDerWaalsContact C-N 3.32Å; D219-D221 PolarHBondContact O-N 2.88Å; D221-R224 IonicContact OD1-CZ 2.7Å; D221-R224 IonicContact OD1-NH1 3.52Å; D221-R224 PolarHBondContact OD1-NH1 2.65Å |
| 222 | N | 51 | Low | 64.3 | Low | 80 Ų | 80 | 92.1 Ų | 92.1 | 43% | 0.428 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -22.1 | -179.4 | -84.2 | 0.4 | 0 | 0 | 0 | 114.3 | R224 P250 | N222-R224 VanDerWaalsContact C-N 3.34Å; N222-R224 PolarHBondContact O-N 2.78Å; N222-P250 HydrophobicContact CB-CB 4.42Å; N222-P250 HydrophobicContact CB-CG 3.89Å; N222-P250 WeakPolarHBondContact O-CG 3.42Å; N222-P250 WeakPolarHBondContact OD1-CB 3.43Å |
| 223 | E | 56.7 | Low | 65.7 | Low | 150 Ų | 150 | 85.2 Ų | 85.2 | 70% | 0.701 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -3.6 | -177.1 | -74.3 | -176.6 | 162.8 | 0 | 0 | 114 | ||
| 224 | R | 71 | Confident | 66.9 | Low | 74 Ų | 74 | 83.1 Ų | 83.1 | 28% | 0.279 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -93.8 | -28.3 | -169.9 | -65.3 | -169.6 | -175.2 | 122.4 | 5.3 | 114.8 | D221 N222 E226 Q227 | D221-R224 IonicContact OD1-CZ 2.7Å; D221-R224 IonicContact OD1-NH1 3.52Å; D221-R224 PolarHBondContact OD1-NH1 2.65Å; N222-R224 VanDerWaalsContact C-N 3.34Å; N222-R224 PolarHBondContact O-N 2.78Å; R224-E226 PolarHBondContact O-N 3.09Å; R224-Q227 WeakPolarHBondContact O-CB 3.22Å; R224-Q227 PolarHBondContact O-N 2.87Å |
| 225 | C | 80.1 | Confident | 68.4 | Low | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.007 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -62.2 | -32.2 | 178.8 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | Q227 Y228 C241 C248 P250 | C225-Q227 PolarHBondContact O-N 3.49Å; C225-Y228 PolarHBondContact O-N 3.47Å; C225-C241 WeakPolarHBondContact CA-SG 3.48Å; C225-C241 HydrophobicContact CB-CB 3.77Å; C225-C241 WeakPolarHBondContact CB-SG 3.09Å; C225-C241 WeakPolarHBondContact SG-CA 3.36Å; C225-C241 WeakPolarHBondContact SG-CB 3.4Å; C225-C241 CovalentContact SG-SG 2.03Å; C225-C241 PolarHBondContact SG-SG 3.11Å; C225-C248 CarbonylContact C-O 3.52Å; C225-C248 VanDerWaalsContact O-CB 3.24Å; C225-C248 WeakPolarHBondContact O-CB 3.32Å; C225-C248 PolarHBondContact O-SG 3.43Å; C225-C248 VanDerWaalsContact O-SG 3.36Å; C225-P250 HydrophobicContact CB-CG 4.39Å |
| 226 | E | 79.8 | Confident | 70.5 | Confident | 146 Ų | 146 | 71.2 Ų | 71.2 | 68% | 0.682 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -60.5 | -19 | 179.3 | -60.4 | -175.4 | 179.3 | 0 | 0 | 113.8 | R224 Y228 | R224-E226 PolarHBondContact O-N 3.09Å; E226-Y228 VanDerWaalsContact C-N 3.29Å |
| 227 | Q | 79.8 | Confident | 72.6 | Confident | 137 Ų | 137 | 62.2 Ų | 62.2 | 64% | 0.64 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -75.3 | -19.5 | 177.7 | -58.9 | -178.4 | 8.5 | 0 | 0 | 112.7 | R224 C225 | R224-Q227 WeakPolarHBondContact O-CB 3.22Å; R224-Q227 PolarHBondContact O-N 2.87Å; C225-Q227 PolarHBondContact O-N 3.49Å |
| 228 | Y | 86.1 | Confident | 74.7 | Confident | 31 Ų | 31 | 57 Ų | 57 | 12% | 0.122 | 30% | 0.3 | C | S | . | . | trans | -89 | 114.8 | 179.5 | -53 | -49.8 | 0 | 0 | 0 | 110.7 | I63 C225 E226 N237 N239 C248 | I63-Y228 HydrophobicContact CD1-CD1 4.2Å; I63-Y228 HydrophobicContact CD1-CE1 3.72Å; I63-Y228 HydrophobicContact CG2-CE1 4.34Å; I63-Y228 WeakPolarHBondContact CG2-OH 2.83Å; C225-Y228 PolarHBondContact O-N 3.47Å; E226-Y228 VanDerWaalsContact C-N 3.29Å; Y228-N237 HydrophobicContact CE2-CB 4.37Å; Y228-N239 PolarHBondContact OH-ND2 3.24Å; Y228-C248 VanDerWaalsContact O-CB 3.22Å; Y228-C248 WeakPolarHBondContact O-CB 3.46Å | ||
| 229 | T | 84.6 | Confident | 76.6 | Confident | 95 Ų | 95 | 54.2 Ų | 54.2 | 58% | 0.583 | 28% | 0.281 | S | S | * | . | trans | -94.8 | 7.7 | -177 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | W243 | T229-W243 WeakPolarHBondContact O-CH2 3.46Š| ||
| 230 | D | 86.4 | Confident | 78.5 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -142.4 | 146.4 | -175.5 | 62.8 | 97.1 | 0 | 0 | 0 | 112.5 | L13 Y232 S233 C234 Y275 K279 | L13-D230 HydrophobicContact CD1-CB 4.41Å; D230-Y232 VanDerWaalsContact C-N 3.27Å; D230-Y232 PolarHBondContact O-N 2.92Å; D230-S233 VanDerWaalsContact CG-OG 3.24Å; D230-S233 PolarHBondContact O-N 3.31Å; D230-S233 WeakPolarHBondContact OD1-CB 3.24Å; D230-S233 PolarHBondContact OD1-N 3.21Å; D230-S233 PolarHBondContact OD1-OG 3.35Å; D230-S233 PolarHBondContact OD2-OG 3.05Å; D230-S233 VanDerWaalsContact OD2-OG 3.09Å; D230-C234 VanDerWaalsContact O-CB 3.26Å; D230-C234 WeakPolarHBondContact O-CB 3.14Å; D230-C234 PolarHBondContact O-N 2.03Å; D230-Y275 HydrophobicContact CB-CD1 3.58Å; D230-Y275 HydrophobicContact CB-CE1 4.33Å; D230-Y275 HydrophobicContact CB-CG 3.99Å; D230-K279 WeakPolarHBondContact OD2-CE 3.46Å; D230-K279 IonicContact OD2-NZ 3.74Å; D230-K279 PolarHBondContact OD2-NZ 2.82Å |
| 231 | C | 88.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.8 | -38.5 | -178.3 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | C234 T235 W243 C268 | C231-C234 PolarHBondContact O-N 2.86Å; C231-T235 WeakPolarHBondContact O-CB 3.46Å; C231-T235 WeakPolarHBondContact O-CG2 3.35Å; C231-T235 PolarHBondContact O-N 3.39Å; C231-T235 PolarHBondContact O-OG1 2.03Å; C231-W243 HydrophobicContact CB-CD2 3.87Å; C231-W243 HydrophobicContact CB-CE3 4.43Å; C231-W243 HydrophobicContact CB-CG 3.9Å; C231-C268 HydrophobicContact CB-CB 3.88Å; C231-C268 WeakPolarHBondContact CB-SG 3.34Å; C231-C268 PolarHBondContact O-SG 2.86Å; C231-C268 VanDerWaalsContact O-SG 3.33Å; C231-C268 VanDerWaalsContact SG-CA 3.52Å; C231-C268 WeakPolarHBondContact SG-CB 3.37Å; C231-C268 CovalentContact SG-SG 2.05Å; C231-C268 PolarHBondContact SG-SG 3.16Å |
| 232 | Y | 89.4 | Confident | 82.3 | Confident | 17 Ų | 17 | 45.8 Ų | 45.8 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -50.6 | -176.5 | -54.9 | -63.1 | 0 | 0 | 0 | 112.3 | L13 D230 C234 T235 A236 Y265 C268 P269 K270 Y275 | L13-Y232 HydrophobicContact CD1-CD2 4.05Å; L13-Y232 HydrophobicContact CD2-CD2 4.46Å; L13-Y232 HydrophobicContact CG-CD2 4.27Å; D230-Y232 VanDerWaalsContact C-N 3.27Å; D230-Y232 PolarHBondContact O-N 2.92Å; Y232-C234 VanDerWaalsContact C-N 3.3Å; Y232-C234 PolarHBondContact O-N 3.35Å; Y232-T235 PolarHBondContact O-N 2.85Å; Y232-T235 PolarHBondContact O-OG1 3.25Å; Y232-A236 WeakPolarHBondContact O-CB 3.4Å; Y232-A236 PolarHBondContact O-N 3.36Å; Y232-Y265 AromaticContact CD1-CD2 3.96Å; Y232-Y265 HydrophobicContact CD1-CD2 3.96Å; Y232-Y265 AromaticContact CD1-CE2 3.44Å; Y232-Y265 HydrophobicContact CD1-CE2 3.44Å; Y232-Y265 VanDerWaalsContact CD1-CE2 3.44Å; Y232-Y265 HydrophobicContact CE1-CE2 4.15Å; Y232-Y265 HydrophobicContact CG-CE2 4.27Å; Y232-C268 HydrophobicContact CD1-CB 3.83Å; Y232-C268 HydrophobicContact CE1-CB 3.77Å; Y232-P269 PolarHBondContact OH-O 3.15Å; Y232-K270 WeakPolarHBondContact OH-CA 3.16Å; Y232-Y275 HydrophobicContact CD2-CD2 4.28Å; Y232-Y275 HydrophobicContact CD2-CG 4.41Å; Y232-Y275 AromaticContact CE2-CD2 3.75Å; Y232-Y275 HydrophobicContact CE2-CD2 3.75Å; Y232-Y275 HydrophobicContact CE2-CG 4.19Å |
| 233 | S | 89.7 | Confident | 84 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.5 | -32 | 177.7 | -52.2 | 0 | 0 | 0 | 0 | 111.7 | L13 D230 N237 | L13-S233 PolarHBondContact N-OG 3.12Å; D230-S233 VanDerWaalsContact CG-OG 3.24Å; D230-S233 PolarHBondContact O-N 3.31Å; D230-S233 WeakPolarHBondContact OD1-CB 3.24Å; D230-S233 PolarHBondContact OD1-N 3.21Å; D230-S233 PolarHBondContact OD1-OG 3.35Å; D230-S233 PolarHBondContact OD2-OG 3.05Å; D230-S233 VanDerWaalsContact OD2-OG 3.09Å; S233-N237 PolarHBondContact O-ND2 3.38Å |
| 234 | C | 89.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.3 | -30.9 | 175.6 | -171.4 | 0 | 0 | 0 | 0 | 113.8 | D230 C231 Y232 N237 C241 Q242 W243 C248 | D230-C234 VanDerWaalsContact O-CB 3.26Å; D230-C234 WeakPolarHBondContact O-CB 3.14Å; D230-C234 PolarHBondContact O-N 2.03Å; C231-C234 PolarHBondContact O-N 2.86Å; Y232-C234 VanDerWaalsContact C-N 3.3Å; Y232-C234 PolarHBondContact O-N 3.35Å; C234-N237 WeakPolarHBondContact CA-ND2 3.12Å; C234-N237 PolarHBondContact O-ND2 3Å; C234-C241 WeakPolarHBondContact O-CB 3.1Å; C234-Q242 PolarHBondContact SG-O 2.97Å; C234-Q242 VanDerWaalsContact SG-O 3.39Å; C234-W243 HydrophobicContact CB-CB 4.44Å; C234-W243 HydrophobicContact CB-CE3 3.7Å; C234-W243 HydrophobicContact CB-CZ3 4.4Å; C234-C248 VanDerWaalsContact CA-SG 3.6Å; C234-C248 HydrophobicContact CB-CB 3.71Å; C234-C248 WeakPolarHBondContact CB-SG 3.4Å; C234-C248 VanDerWaalsContact SG-CA 3.55Å; C234-C248 WeakPolarHBondContact SG-CB 3.46Å; C234-C248 CovalentContact SG-SG 2.03Å; C234-C248 PolarHBondContact SG-SG 2.83Å |
| 235 | T | 89 | Confident | 85.7 | Confident | 21 Ų | 21 | 37.1 Ų | 37.1 | 13% | 0.129 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -97.9 | -23.8 | -179.7 | 53.4 | 0 | 0 | 0 | 0 | 113 | C231 Y232 N237 I262 V263 | C231-T235 WeakPolarHBondContact O-CB 3.46Å; C231-T235 WeakPolarHBondContact O-CG2 3.35Å; C231-T235 PolarHBondContact O-N 3.39Å; C231-T235 PolarHBondContact O-OG1 2.03Å; Y232-T235 PolarHBondContact O-N 2.85Å; Y232-T235 PolarHBondContact O-OG1 3.25Å; T235-N237 PolarHBondContact O-N 2.88Å; T235-I262 HydrophobicContact CG2-CG2 4.06Å; T235-V263 WeakPolarHBondContact CB-O 3.34Å |
| 236 | A | 91.1 | Very high | 85.6 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -99 | 54.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A12 T62 I63 Y232 | A12-A236 HydrophobicContact CB-CB 3.94Å; A12-A236 VanDerWaalsContact N-CB 3.32Å; T62-A236 WeakPolarHBondContact CA-O 3.41Å; I63-A236 PolarHBondContact N-O 3.43Å; Y232-A236 WeakPolarHBondContact O-CB 3.4Å; Y232-A236 PolarHBondContact O-N 3.36Å |
| 237 | N | 89.5 | Confident | 85.8 | Confident | 23 Ų | 23 | 38.7 Ų | 38.7 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -139.8 | 167.9 | 174 | 67.8 | 70.5 | 0 | 0 | 0 | 112.6 | I63 Y228 S233 C234 T235 N239 | I63-N237 HydrophobicContact CB-CB 3.9Å; I63-N237 HydrophobicContact CG2-CB 4.5Å; I63-N237 CarbonylContact O-C 3.5Å; I63-N237 WeakPolarHBondContact O-CA 3.27Å; Y228-N237 HydrophobicContact CE2-CB 4.37Å; S233-N237 PolarHBondContact O-ND2 3.38Å; C234-N237 WeakPolarHBondContact CA-ND2 3.12Å; C234-N237 PolarHBondContact O-ND2 3Å; T235-N237 PolarHBondContact O-N 2.88Å; N237-N239 WeakPolarHBondContact OD1-CA 3.48Å; N237-N239 PolarHBondContact OD1-N 2.55Å |
| 238 | T | 86.8 | Confident | 86.1 | Confident | 58 Ų | 58 | 32.4 Ų | 32.4 | 36% | 0.356 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -96 | -0.6 | 175.5 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | I63 L64 D115 S240 | I63-T238 PolarHBondContact O-N 3.46Å; I63-T238 PolarHBondContact O-OG1 2.74Å; L64-T238 WeakPolarHBondContact CA-OG1 3.24Å; L64-T238 HydrophobicContact CD2-CG2 3.79Å; D115-T238 WeakPolarHBondContact OD2-CB 3.5Å; D115-T238 PolarHBondContact OD2-OG1 2.97Å; T238-S240 PolarHBondContact O-N 3.42Å |
| 239 | N | 81.9 | Confident | 86.1 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 12% | 0.118 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -80.9 | 12.3 | -175.9 | -68.3 | -37 | 0 | 0 | 0 | 114 | Y228 N237 C241 | Y228-N239 PolarHBondContact OH-ND2 3.24Å; N237-N239 WeakPolarHBondContact OD1-CA 3.48Å; N237-N239 PolarHBondContact OD1-N 2.55Å; N239-C241 PolarHBondContact O-N 2.78Å |
| 240 | S | 83.2 | Confident | 86.1 | Confident | 79 Ų | 79 | 28.9 Ų | 28.9 | 55% | 0.552 | 18% | 0.177 | S | C | * | . | trans | 57.1 | 47.8 | 175.8 | -60.4 | 0 | 0 | 0 | 0 | 113.5 | T238 L251 | T238-S240 PolarHBondContact O-N 3.42Å; S240-L251 WeakPolarHBondContact O-CB 3.49Å; S240-L251 WeakPolarHBondContact O-CD1 3.08Å; S240-L251 WeakPolarHBondContact O-CG 3.48Å; S240-L251 PolarHBondContact O-N 2.94Å; S240-L251 VanDerWaalsContact O-N 3.07Å | ||
| 241 | C | 86.8 | Confident | 85.6 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 161.3 | 179.3 | -54.7 | 0 | 0 | 0 | 0 | 113.1 | C225 C234 N239 E249 | C225-C241 WeakPolarHBondContact CA-SG 3.48Å; C225-C241 HydrophobicContact CB-CB 3.77Å; C225-C241 WeakPolarHBondContact CB-SG 3.09Å; C225-C241 WeakPolarHBondContact SG-CA 3.36Å; C225-C241 WeakPolarHBondContact SG-CB 3.4Å; C225-C241 CovalentContact SG-SG 2.03Å; C225-C241 PolarHBondContact SG-SG 3.11Å; C234-C241 WeakPolarHBondContact O-CB 3.1Å; N239-C241 PolarHBondContact O-N 2.78Å; C241-E249 CarbonylContact C-O 3.47Å; C241-E249 WeakPolarHBondContact CA-O 3.39Å |
| 242 | Q | 87.1 | Confident | 84.7 | Confident | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 147.1 | 172.5 | 58.6 | 176 | -3.5 | 0 | 0 | 110.8 | C234 E249 P250 L251 S261 V263 | C234-Q242 PolarHBondContact SG-O 2.97Å; C234-Q242 VanDerWaalsContact SG-O 3.39Å; Q242-E249 WeakPolarHBondContact CG-O 3.34Å; Q242-E249 PolarHBondContact N-O 3.15Å; Q242-E249 PolarHBondContact O-N 2.81Å; Q242-E249 VanDerWaalsContact O-O 3.1Å; Q242-P250 PolarHBondContact NE2-O 2.04Å; Q242-L251 HydrophobicContact CB-CD2 4.14Å; Q242-L251 HydrophobicContact CB-CG 4.35Å; Q242-L251 HydrophobicContact CG-CD2 4.5Å; Q242-S261 VanDerWaalsContact OE1-CB 3.31Å; Q242-S261 PolarHBondContact OE1-OG 2.76Å; Q242-V263 HydrophobicContact CB-CG2 4.18Å |
| 243 | W | 87.4 | Confident | 83.7 | Confident | 15 Ų | 15 | 42 Ų | 42 | 6% | 0.057 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 125.7 | 178.7 | -175.4 | -94.6 | 0 | 0 | 0 | 111.3 | T229 C231 C234 G246 C248 I262 Y275 | T229-W243 WeakPolarHBondContact O-CH2 3.46Å; C231-W243 HydrophobicContact CB-CD2 3.87Å; C231-W243 HydrophobicContact CB-CE3 4.43Å; C231-W243 HydrophobicContact CB-CG 3.9Å; C234-W243 HydrophobicContact CB-CB 4.44Å; C234-W243 HydrophobicContact CB-CE3 3.7Å; C234-W243 HydrophobicContact CB-CZ3 4.4Å; W243-G246 WeakPolarHBondContact CH2-O 3.42Å; W243-G246 WeakPolarHBondContact CZ2-O 3.41Å; W243-C248 HydrophobicContact CE3-CB 3.81Å; W243-C248 HydrophobicContact CZ3-CB 3.95Å; W243-I262 HydrophobicContact CB-CB 4.21Å; W243-I262 PolarHBondContact N-O 3.04Å; W243-I262 PolarHBondContact O-N 3.24Å; W243-Y275 HydrophobicContact CH2-CE1 4.42Å; W243-Y275 HydrophobicContact CZ2-CE1 4.12Å |
| 244 | C | 85.8 | Confident | 82.5 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 118.2 | -165.4 | -61.9 | 0 | 0 | 0 | 0 | 110.3 | G246 Q247 C256 | C244-G246 PolarHBondContact O-N 2.87Å; C244-Q247 PolarHBondContact N-O 3.05Å; C244-Q247 PolarHBondContact O-N 3.07Å; C244-Q247 VanDerWaalsContact O-O 3.06Å; C244-C256 HydrophobicContact CB-CB 3.77Å; C244-C256 WeakPolarHBondContact CB-SG 3.09Å; C244-C256 WeakPolarHBondContact SG-CB 3.41Å; C244-C256 CovalentContact SG-SG 1.99Å; C244-C256 PolarHBondContact SG-SG 3.07Å |
| 245 | S | 76.9 | Confident | 81.3 | Confident | 102 Ų | 102 | 50 Ų | 50 | 71% | 0.713 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 34.5 | 173.5 | -59.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 246 | G | 78.3 | Confident | 80.3 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 49% | 0.485 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 7.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | W243 C244 | W243-G246 WeakPolarHBondContact CH2-O 3.42Å; W243-G246 WeakPolarHBondContact CZ2-O 3.41Å; C244-G246 PolarHBondContact O-N 2.87Å |
| 247 | Q | 84.5 | Confident | 79 | Confident | 134 Ų | 134 | 54.3 Ų | 54.3 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 155.3 | 176.1 | -64.7 | -173 | -23.3 | 0 | 0 | 111 | C244 | C244-Q247 PolarHBondContact N-O 3.05Å; C244-Q247 PolarHBondContact O-N 3.07Å; C244-Q247 VanDerWaalsContact O-O 3.06Å |
| 248 | C | 86.8 | Confident | 77.4 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.034 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121.4 | 175.9 | -171.7 | 0 | 0 | 0 | 0 | 110 | C225 Y228 C234 W243 | C225-C248 CarbonylContact C-O 3.52Å; C225-C248 VanDerWaalsContact O-CB 3.24Å; C225-C248 WeakPolarHBondContact O-CB 3.32Å; C225-C248 PolarHBondContact O-SG 3.43Å; C225-C248 VanDerWaalsContact O-SG 3.36Å; Y228-C248 VanDerWaalsContact O-CB 3.22Å; Y228-C248 WeakPolarHBondContact O-CB 3.46Å; C234-C248 VanDerWaalsContact CA-SG 3.6Å; C234-C248 HydrophobicContact CB-CB 3.71Å; C234-C248 WeakPolarHBondContact CB-SG 3.4Å; C234-C248 VanDerWaalsContact SG-CA 3.55Å; C234-C248 WeakPolarHBondContact SG-CB 3.46Å; C234-C248 CovalentContact SG-SG 2.03Å; C234-C248 PolarHBondContact SG-SG 2.83Å; W243-C248 HydrophobicContact CE3-CB 3.81Å; W243-C248 HydrophobicContact CZ3-CB 3.95Å |
| 249 | E | 85.4 | Confident | 75.9 | Confident | 38 Ų | 38 | 62.2 Ų | 62.2 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 159.6 | -176.6 | -66 | -168.8 | -179 | 0 | 0 | 111.5 | C241 Q242 S253 S255 | C241-E249 CarbonylContact C-O 3.47Å; C241-E249 WeakPolarHBondContact CA-O 3.39Å; Q242-E249 WeakPolarHBondContact CG-O 3.34Å; Q242-E249 PolarHBondContact N-O 3.15Å; Q242-E249 PolarHBondContact O-N 2.81Å; Q242-E249 VanDerWaalsContact O-O 3.1Å; E249-S253 PolarHBondContact OE2-OG 2.81Å; E249-S255 PolarHBondContact OE1-OG 2.87Å; E249-S255 PolarHBondContact OE2-OG 3.33Å |
| 250 | P | 84.1 | Confident | 75.2 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 8% | 0.084 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 146.5 | 172.6 | -21 | 33.8 | 0 | 0 | 0 | 112.4 | N222 C225 Q242 K252 S253 | N222-P250 HydrophobicContact CB-CB 4.42Å; N222-P250 HydrophobicContact CB-CG 3.89Å; N222-P250 WeakPolarHBondContact O-CG 3.42Å; N222-P250 WeakPolarHBondContact OD1-CB 3.43Å; C225-P250 HydrophobicContact CB-CG 4.39Å; Q242-P250 PolarHBondContact NE2-O 2.04Å; P250-K252 PolarHBondContact O-N 2.95Å; P250-S253 WeakPolarHBondContact O-CB 3.45Å; P250-S253 PolarHBondContact O-N 3.35Å |
| 251 | L | 76.3 | Confident | 75.2 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 42% | 0.419 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23 | 177.3 | -88.5 | 160.2 | 0 | 0 | 0 | 114.4 | S240 Q242 V263 | S240-L251 WeakPolarHBondContact O-CB 3.49Å; S240-L251 WeakPolarHBondContact O-CD1 3.08Å; S240-L251 WeakPolarHBondContact O-CG 3.48Å; S240-L251 PolarHBondContact O-N 2.94Å; S240-L251 VanDerWaalsContact O-N 3.07Å; Q242-L251 HydrophobicContact CB-CD2 4.14Å; Q242-L251 HydrophobicContact CB-CG 4.35Å; Q242-L251 HydrophobicContact CG-CD2 4.5Å; L251-V263 HydrophobicContact CD2-CG1 4.42Å; L251-V263 HydrophobicContact CD2-CG2 4.04Å |
| 252 | K | 69.6 | Low | 75.1 | Confident | 177 Ų | 177 | 64.9 Ų | 64.9 | 77% | 0.77 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -0.2 | -180 | -64.2 | -179.3 | -177.6 | 174.4 | 0 | 114.1 | P250 | P250-K252 PolarHBondContact O-N 2.95Š|
| 253 | S | 68.5 | Low | 74.9 | Confident | 38 Ų | 38 | 67.4 Ų | 67.4 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | trans | -73.5 | 131.6 | -178.8 | -166.5 | 0 | 0 | 0 | 0 | 111.7 | E249 P250 S255 | E249-S253 PolarHBondContact OE2-OG 2.81Å; P250-S253 WeakPolarHBondContact O-CB 3.45Å; P250-S253 PolarHBondContact O-N 3.35Å; S253-S255 VanDerWaalsContact C-N 3.31Å; S253-S255 PolarHBondContact O-N 2.78Å; S253-S255 PolarHBondContact OG-OG 3.19Å | ||
| 254 | S | 64.2 | Low | 74.7 | Confident | 106 Ų | 106 | 73 Ų | 73 | 74% | 0.741 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -75.9 | -15.8 | -177.6 | 52.7 | 0 | 0 | 0 | 0 | 113.9 | C256 S257 | S254-C256 VanDerWaalsContact C-N 3.32Å; S254-C256 PolarHBondContact O-N 3.18Å; S254-S257 PolarHBondContact O-OG 3.26Å |
| 255 | S | 64.6 | Low | 74.7 | Confident | 64 Ų | 64 | 74.4 Ų | 74.4 | 45% | 0.448 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -67.2 | -24.2 | -178.5 | 31.7 | 0 | 0 | 0 | 0 | 114.5 | E249 S253 S257 | E249-S255 PolarHBondContact OE1-OG 2.87Å; E249-S255 PolarHBondContact OE2-OG 3.33Å; S253-S255 VanDerWaalsContact C-N 3.31Å; S253-S255 PolarHBondContact O-N 2.78Å; S253-S255 PolarHBondContact OG-OG 3.19Å; S255-S257 VanDerWaalsContact C-N 3.33Å; S255-S257 PolarHBondContact O-N 3.12Å |
| 256 | C | 68.3 | Low | 75 | Confident | 12 Ų | 12 | 74.6 Ų | 74.6 | 8% | 0.081 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -90.8 | 10.6 | -175.6 | -160.9 | 0 | 0 | 0 | 0 | 114.6 | C244 S254 S258 S261 | C244-C256 HydrophobicContact CB-CB 3.77Å; C244-C256 WeakPolarHBondContact CB-SG 3.09Å; C244-C256 WeakPolarHBondContact SG-CB 3.41Å; C244-C256 CovalentContact SG-SG 1.99Å; C244-C256 PolarHBondContact SG-SG 3.07Å; S254-C256 VanDerWaalsContact C-N 3.32Å; S254-C256 PolarHBondContact O-N 3.18Å; C256-S258 VanDerWaalsContact C-N 3.32Å; C256-S258 PolarHBondContact O-N 3.37Å; C256-S261 WeakPolarHBondContact SG-CB 3.49Å |
| 257 | S | 62.3 | Low | 75.4 | Confident | 104 Ų | 104 | 76.6 Ų | 76.6 | 73% | 0.727 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -79.2 | -8.1 | -172 | -48.8 | 0 | 0 | 0 | 0 | 114.6 | S254 S255 | S254-S257 PolarHBondContact O-OG 3.26Å; S255-S257 VanDerWaalsContact C-N 3.33Å; S255-S257 PolarHBondContact O-N 3.12Å |
| 258 | S | 56 | Low | 75.4 | Confident | 108 Ų | 108 | 70.4 Ų | 70.4 | 76% | 0.755 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -114.8 | -10.1 | -168.9 | 53.9 | 0 | 0 | 0 | 0 | 116 | C256 | C256-S258 VanDerWaalsContact C-N 3.32Å; C256-S258 PolarHBondContact O-N 3.37Å |
| 259 | Q | 56.6 | Low | 75 | Confident | 138 Ų | 138 | 73 Ų | 73 | 65% | 0.645 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -147.1 | 129.2 | 172.5 | -73.2 | -179.1 | -29.2 | 0 | 0 | 109.2 | S261 | Q259-S261 PolarHBondContact O-N 3.48Š|
| 260 | G | 67.8 | Low | 74.1 | Confident | 76 Ų | 76 | 77.1 Ų | 77.1 | 78% | 0.784 | 45% | 0.452 | S | S | * | . | trans | -43 | 122.3 | -160.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 261 | S | 82.3 | Confident | 73 | Confident | 57 Ų | 57 | 83.3 Ų | 83.3 | 40% | 0.399 | 48% | 0.484 | S | S | . | . | trans | -75.3 | 138.9 | 175.8 | 64.4 | 0 | 0 | 0 | 0 | 111.3 | Q242 C256 Q259 | Q242-S261 VanDerWaalsContact OE1-CB 3.31Å; Q242-S261 PolarHBondContact OE1-OG 2.76Å; C256-S261 WeakPolarHBondContact SG-CB 3.49Å; Q259-S261 PolarHBondContact O-N 3.48Å | ||
| 262 | I | 83.8 | Confident | 72.7 | Confident | 31 Ų | 31 | 82.2 Ų | 82.2 | 16% | 0.159 | 48% | 0.479 | C | S | . | . | B | Isolated β-bridge | trans | -104.9 | 115.2 | 175.4 | -57.2 | 175.3 | 0 | 0 | 0 | 108.5 | T235 W243 E264 V267 | T235-I262 HydrophobicContact CG2-CG2 4.06Å; W243-I262 HydrophobicContact CB-CB 4.21Å; W243-I262 PolarHBondContact N-O 3.04Å; W243-I262 PolarHBondContact O-N 3.24Å; I262-E264 WeakPolarHBondContact CG2-O 3.34Å; I262-V267 HydrophobicContact CD1-CG1 4.43Å; I262-V267 HydrophobicContact CG1-CG1 4.18Å; I262-V267 HydrophobicContact CG2-CB 3.93Å; I262-V267 HydrophobicContact CG2-CG1 4.13Å |
| 263 | V | 83.3 | Confident | 72.7 | Confident | 66 Ų | 66 | 75 Ų | 75 | 40% | 0.4 | 45% | 0.45 | S | S | . | . | trans | -108.6 | -31.6 | 177.3 | -171 | 0 | 0 | 0 | 0 | 111 | T235 Q242 L251 | T235-V263 WeakPolarHBondContact CB-O 3.34Å; Q242-V263 HydrophobicContact CB-CG2 4.18Å; L251-V263 HydrophobicContact CD2-CG1 4.42Å; L251-V263 HydrophobicContact CD2-CG2 4.04Å | ||
| 264 | E | 84.7 | Confident | 72.9 | Confident | 133 Ų | 133 | 74.4 Ų | 74.4 | 62% | 0.621 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -93.6 | 135.1 | -178.9 | -65.8 | -172.4 | 173.9 | 0 | 0 | 112.1 | I262 D266 V267 | I262-E264 WeakPolarHBondContact CG2-O 3.34Å; E264-D266 VanDerWaalsContact C-N 3.26Å; E264-D266 PolarHBondContact O-N 2.95Å; E264-V267 HydrophobicContact CB-CG2 4.27Å; E264-V267 PolarHBondContact O-N 2.82Å |
| 265 | Y | 83.9 | Confident | 73.4 | Confident | 33 Ų | 33 | 70.9 Ų | 70.9 | 13% | 0.129 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -54.4 | -38.6 | 178.2 | 168.4 | -95.9 | 0 | 0 | 0 | 113.4 | D10 G11 Y232 V267 C268 | D10-Y265 HydrophobicContact CB-CE1 4.12Å; G11-Y265 VanDerWaalsContact N-CE2 3.3Å; G11-Y265 PolarHBondContact N-OH 2.66Å; Y232-Y265 AromaticContact CD1-CD2 3.96Å; Y232-Y265 HydrophobicContact CD1-CD2 3.96Å; Y232-Y265 AromaticContact CD1-CE2 3.44Å; Y232-Y265 HydrophobicContact CD1-CE2 3.44Å; Y232-Y265 VanDerWaalsContact CD1-CE2 3.44Å; Y232-Y265 HydrophobicContact CE1-CE2 4.15Å; Y232-Y265 HydrophobicContact CG-CE2 4.27Å; Y265-V267 PolarHBondContact O-N 3.42Å; Y265-C268 WeakPolarHBondContact O-CB 3.42Å; Y265-C268 PolarHBondContact O-N 2.89Å; Y265-C268 VanDerWaalsContact O-N 3.08Å |
| 266 | D | 84.8 | Confident | 74.1 | Confident | 106 Ų | 106 | 70.3 Ų | 70.3 | 57% | 0.567 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -67.5 | -18.3 | -174.8 | -70.7 | -60.6 | 0 | 0 | 0 | 113.8 | E264 K270 | E264-D266 VanDerWaalsContact C-N 3.26Å; E264-D266 PolarHBondContact O-N 2.95Å; D266-K270 IonicContact OD1-NZ 2.77Å |
| 267 | V | 86 | Confident | 74.7 | Confident | 90 Ų | 90 | 69.8 Ų | 69.8 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -90.4 | -10.4 | 179 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | I262 E264 Y265 | I262-V267 HydrophobicContact CD1-CG1 4.43Å; I262-V267 HydrophobicContact CG1-CG1 4.18Å; I262-V267 HydrophobicContact CG2-CB 3.93Å; I262-V267 HydrophobicContact CG2-CG1 4.13Å; E264-V267 HydrophobicContact CB-CG2 4.27Å; E264-V267 PolarHBondContact O-N 2.82Å; Y265-V267 PolarHBondContact O-N 3.42Å |
| 268 | C | 84.2 | Confident | 75.5 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 3% | 0.027 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -63.2 | 143.7 | 175.8 | -75.6 | 0 | 0 | 0 | 0 | 111.7 | C231 Y232 Y265 K270 | C231-C268 HydrophobicContact CB-CB 3.88Å; C231-C268 WeakPolarHBondContact CB-SG 3.34Å; C231-C268 PolarHBondContact O-SG 2.86Å; C231-C268 VanDerWaalsContact O-SG 3.33Å; C231-C268 VanDerWaalsContact SG-CA 3.52Å; C231-C268 WeakPolarHBondContact SG-CB 3.37Å; C231-C268 CovalentContact SG-SG 2.05Å; C231-C268 PolarHBondContact SG-SG 3.16Å; Y232-C268 HydrophobicContact CD1-CB 3.83Å; Y232-C268 HydrophobicContact CE1-CB 3.77Å; Y265-C268 WeakPolarHBondContact O-CB 3.42Å; Y265-C268 PolarHBondContact O-N 2.89Å; Y265-C268 VanDerWaalsContact O-N 3.08Å; C268-K270 PolarHBondContact O-N 2.9Å |
| 269 | P | 78.3 | Confident | 76.6 | Confident | 59 Ų | 59 | 66 Ų | 66 | 38% | 0.383 | 37% | 0.368 | S | S | . | . | trans | -62.7 | 103 | 179.4 | -18.8 | 30.3 | 0 | 0 | 0 | 111.6 | Y232 D271 | Y232-P269 PolarHBondContact OH-O 3.15Å; P269-D271 PolarHBondContact O-N 3.29Å | ||
| 270 | K | 67 | Low | 77.7 | Confident | 125 Ų | 125 | 61.3 Ų | 61.3 | 54% | 0.543 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -20.3 | -177.2 | -67.7 | -174.5 | -179.7 | 179.8 | 0 | 113.4 | Y232 D266 C268 | Y232-K270 WeakPolarHBondContact OH-CA 3.16Å; D266-K270 IonicContact OD1-NZ 2.77Å; C268-K270 PolarHBondContact O-N 2.9Å |
| 271 | D | 61.3 | Low | 78.2 | Confident | 142 Ų | 142 | 58.9 Ų | 58.9 | 76% | 0.759 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 5.1 | -172.4 | -58.2 | -45.5 | 0 | 0 | 0 | 114.6 | P269 P273 | P269-D271 PolarHBondContact O-N 3.29Å; D271-P273 WeakPolarHBondContact O-CD 3.07Å |
| 272 | N | 68.5 | Low | 77.8 | Confident | 58 Ų | 58 | 58.6 Ų | 58.6 | 31% | 0.31 | 31% | 0.314 | S | S | . | . | trans | -93.8 | 97.8 | 179.2 | -168.9 | -10.6 | 0 | 0 | 0 | 111.8 | S274 Y275 | N272-S274 PolarHBondContact ND2-OG 2.85Å; N272-S274 PolarHBondContact O-N 3.31Å; N272-S274 VanDerWaalsContact O-N 3.15Å; N272-S274 VanDerWaalsContact OD1-CB 3.29Å; N272-S274 WeakPolarHBondContact OD1-CB 3.33Å; N272-S274 PolarHBondContact OD1-N 2.79Å; N272-S274 VanDerWaalsContact OD1-N 3.14Å; N272-S274 PolarHBondContact OD1-OG 2.81Å; N272-Y275 HydrophobicContact CB-CD2 3.94Å; N272-Y275 HydrophobicContact CB-CE2 3.8Å | ||
| 273 | P | 70.5 | Confident | 77.3 | Confident | 26 Ų | 26 | 58 Ų | 58 | 17% | 0.169 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.3 | -178.7 | 25.4 | -35.2 | 0 | 0 | 0 | 113.6 | D271 Y275 V276 C277 N291 | D271-P273 WeakPolarHBondContact O-CD 3.07Å; P273-Y275 VanDerWaalsContact C-N 3.28Å; P273-Y275 PolarHBondContact O-N 3.07Å; P273-V276 PolarHBondContact O-N 3Å; P273-V276 VanDerWaalsContact O-N 3.14Å; P273-C277 PolarHBondContact O-N 3.42Å; P273-C277 PolarHBondContact O-SG 2.92Å; P273-N291 HydrophobicContact CB-CB 3.55Å; P273-N291 HydrophobicContact CG-CB 4.16Å |
| 274 | S | 73 | Confident | 76.9 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.3 | -38.9 | -178.4 | 66.6 | 0 | 0 | 0 | 0 | 113.1 | N272 V276 C277 N278 | N272-S274 PolarHBondContact ND2-OG 2.85Å; N272-S274 PolarHBondContact O-N 3.31Å; N272-S274 VanDerWaalsContact O-N 3.15Å; N272-S274 VanDerWaalsContact OD1-CB 3.29Å; N272-S274 WeakPolarHBondContact OD1-CB 3.33Å; N272-S274 PolarHBondContact OD1-N 2.79Å; N272-S274 VanDerWaalsContact OD1-N 3.14Å; N272-S274 PolarHBondContact OD1-OG 2.81Å; S274-V276 VanDerWaalsContact C-N 3.31Å; S274-V276 PolarHBondContact O-N 3.44Å; S274-C277 PolarHBondContact O-N 2.04Å; S274-N278 WeakPolarHBondContact O-CB 3.45Å; S274-N278 PolarHBondContact O-N 3.35Å; S274-N278 PolarHBondContact O-ND2 3.01Å; S274-N278 PolarHBondContact O-OD1 3.48Å |
| 275 | Y | 74.9 | Confident | 76.5 | Confident | 31 Ų | 31 | 55.5 Ų | 55.5 | 12% | 0.122 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 179.1 | -60.7 | -47.2 | 0 | 0 | 0 | 112.3 | L13 D230 Y232 W243 N272 P273 | L13-Y275 VanDerWaalsContact CD1-O 3.27Å; L13-Y275 WeakPolarHBondContact CD1-O 3.03Å; D230-Y275 HydrophobicContact CB-CD1 3.58Å; D230-Y275 HydrophobicContact CB-CE1 4.33Å; D230-Y275 HydrophobicContact CB-CG 3.99Å; Y232-Y275 HydrophobicContact CD2-CD2 4.28Å; Y232-Y275 HydrophobicContact CD2-CG 4.41Å; Y232-Y275 AromaticContact CE2-CD2 3.75Å; Y232-Y275 HydrophobicContact CE2-CD2 3.75Å; Y232-Y275 HydrophobicContact CE2-CG 4.19Å; W243-Y275 HydrophobicContact CH2-CE1 4.42Å; W243-Y275 HydrophobicContact CZ2-CE1 4.12Å; N272-Y275 HydrophobicContact CB-CD2 3.94Å; N272-Y275 HydrophobicContact CB-CE2 3.8Å; P273-Y275 VanDerWaalsContact C-N 3.28Å; P273-Y275 PolarHBondContact O-N 3.07Å |
| 276 | V | 79.3 | Confident | 76.2 | Confident | 53 Ų | 53 | 54 Ų | 54 | 32% | 0.321 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -79.6 | -40.3 | -178.4 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | L13 P273 S274 K279 | L13-V276 HydrophobicContact CD2-CG2 4.46Å; P273-V276 PolarHBondContact O-N 3Å; P273-V276 VanDerWaalsContact O-N 3.14Å; S274-V276 VanDerWaalsContact C-N 3.31Å; S274-V276 PolarHBondContact O-N 3.44Å; V276-K279 PolarHBondContact O-N 3.33Å |
| 277 | C | 80.3 | Confident | 75.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 179.1 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | P273 S274 K279 K280 N291 C292 C301 | P273-C277 PolarHBondContact O-N 3.42Å; P273-C277 PolarHBondContact O-SG 2.92Å; S274-C277 PolarHBondContact O-N 2.04Å; C277-K279 PolarHBondContact O-N 2.76Å; C277-K279 VanDerWaalsContact O-N 3.08Å; C277-K280 WeakPolarHBondContact O-CB 3.41Å; C277-K280 PolarHBondContact O-N 2.79Å; C277-N291 PolarHBondContact SG-O 3.04Å; C277-C292 WeakPolarHBondContact CA-SG 3.37Å; C277-C292 HydrophobicContact CB-CB 3.78Å; C277-C292 WeakPolarHBondContact CB-SG 3.4Å; C277-C292 WeakPolarHBondContact SG-CA 2.97Å; C277-C292 WeakPolarHBondContact SG-CB 3.46Å; C277-C292 CovalentContact SG-SG 2.02Å; C277-C292 PolarHBondContact SG-SG 3.27Å; C277-C301 CarbonylContact C-O 3.58Å; C277-C301 VanDerWaalsContact C-O 3.29Å; C277-C301 VanDerWaalsContact O-CB 3.24Å; C277-C301 WeakPolarHBondContact O-CB 3.34Å; C277-C301 PolarHBondContact O-SG 3.23Å |
| 278 | N | 79.7 | Confident | 74.7 | Confident | 95 Ų | 95 | 51.6 Ų | 51.6 | 51% | 0.508 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.5 | -24.8 | -177.8 | -69.6 | -9.9 | 0 | 0 | 0 | 113.6 | S274 K280 C301 | S274-N278 WeakPolarHBondContact O-CB 3.45Å; S274-N278 PolarHBondContact O-N 3.35Å; S274-N278 PolarHBondContact O-ND2 3.01Å; S274-N278 PolarHBondContact O-OD1 3.48Å; N278-K280 VanDerWaalsContact C-N 3.34Å; N278-C301 PolarHBondContact OD1-O 3.02Å |
| 279 | K | 78.3 | Confident | 74.1 | Confident | 38 Ų | 38 | 53.7 Ų | 53.7 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -9 | 177.5 | -59.4 | -71.2 | -176.3 | 175.8 | 0 | 113.1 | L13 Q15 D230 V276 C277 T281 | L13-K279 HydrophobicContact CB-CD 4.38Å; L13-K279 HydrophobicContact CB-CG 3.96Å; L13-K279 HydrophobicContact CD1-CG 3.9Å; Q15-K279 HydrophobicContact CG-CD 4.18Å; D230-K279 WeakPolarHBondContact OD2-CE 3.46Å; D230-K279 IonicContact OD2-NZ 3.74Å; D230-K279 PolarHBondContact OD2-NZ 2.82Å; V276-K279 PolarHBondContact O-N 3.33Å; C277-K279 PolarHBondContact O-N 2.76Å; C277-K279 VanDerWaalsContact O-N 3.08Å; K279-T281 PolarHBondContact O-N 2.98Å |
| 280 | K | 80.1 | Confident | 73.5 | Confident | 39 Ų | 39 | 56 Ų | 56 | 17% | 0.17 | 30% | 0.301 | C | S | . | . | trans | -88.6 | 96.1 | 178.6 | -64.1 | 170.9 | -168.8 | -106.1 | 0 | 109.7 | C277 N278 S282 S285 C286 D289 C301 | C277-K280 WeakPolarHBondContact O-CB 3.41Å; C277-K280 PolarHBondContact O-N 2.79Å; N278-K280 VanDerWaalsContact C-N 3.34Å; K280-S282 VanDerWaalsContact C-N 3.3Å; K280-S282 PolarHBondContact O-N 3.5Å; K280-S285 WeakPolarHBondContact CD-O 3.44Å; K280-C286 HydrophobicContact CB-CB 4.47Å; K280-D289 HydrophobicContact CD-CB 4.35Å; K280-D289 WeakPolarHBondContact CE-OD2 3.36Å; K280-D289 IonicContact NZ-OD2 3.56Å; K280-D289 PolarHBondContact NZ-OD2 3.38Å; K280-C301 HydrophobicContact CB-CB 4.05Å; K280-C301 WeakPolarHBondContact O-CB 3.37Å | ||
| 281 | T | 77.7 | Confident | 73.9 | Confident | 26 Ų | 26 | 54.4 Ų | 54.4 | 16% | 0.16 | 30% | 0.298 | C | S | . | . | trans | -84.5 | 7.1 | -173.4 | 53.7 | 0 | 0 | 0 | 0 | 115.5 | A39 K279 | A39-T281 HydrophobicContact CB-CG2 4.19Å; A39-T281 WeakPolarHBondContact CB-OG1 3.27Å; A39-T281 VanDerWaalsContact O-CG2 3.32Å; A39-T281 WeakPolarHBondContact O-CG2 2.96Å; K279-T281 PolarHBondContact O-N 2.98Å | ||
| 282 | S | 74.5 | Confident | 74.7 | Confident | 51 Ų | 51 | 48.1 Ų | 48.1 | 36% | 0.357 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -134 | 147.5 | 177.4 | 79.6 | 0 | 0 | 0 | 0 | 111.4 | K280 K284 S285 C286 | K280-S282 VanDerWaalsContact C-N 3.3Å; K280-S282 PolarHBondContact O-N 3.5Å; S282-K284 PolarHBondContact O-N 3.23Å; S282-S285 PolarHBondContact N-OG 2.97Å; S282-S285 PolarHBondContact O-N 3.34Å; S282-S285 VanDerWaalsContact O-N 3.17Å; S282-S285 PolarHBondContact O-OG 2.93Å; S282-S285 WeakPolarHBondContact OG-CB 3.29Å; S282-S285 PolarHBondContact OG-N 3.04Å; S282-S285 PolarHBondContact OG-OG 3.09Å; S282-C286 WeakPolarHBondContact O-CB 3.22Å; S282-C286 PolarHBondContact O-N 2.99Å |
| 283 | C | 73.7 | Confident | 75.2 | Confident | 17 Ų | 17 | 46.9 Ų | 46.9 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.1 | -39.3 | 176.4 | -159.4 | 0 | 0 | 0 | 0 | 111.6 | C286 S287 W294 C450 | C283-C286 WeakPolarHBondContact O-CB 3.17Å; C283-C286 PolarHBondContact O-N 2.83Å; C283-S287 WeakPolarHBondContact O-CB 3.33Å; C283-S287 PolarHBondContact O-N 2.02Å; C283-S287 PolarHBondContact O-OG 2.9Å; C283-W294 VanDerWaalsContact CA-CD2 3.47Å; C283-W294 VanDerWaalsContact CA-CE3 3.48Å; C283-W294 HydrophobicContact CB-CB 4.34Å; C283-W294 HydrophobicContact CB-CD2 3.64Å; C283-W294 HydrophobicContact CB-CE3 4.19Å; C283-W294 HydrophobicContact CB-CG 3.72Å; C283-W294 HydrophobicContact CB-CZ2 4.29Å; C283-W294 VanDerWaalsContact N-CZ3 3.34Å; C283-W294 WeakPolarHBondContact SG-CB 3.32Å; C283-C450 HydrophobicContact CB-CB 3.75Å; C283-C450 WeakPolarHBondContact CB-SG 3.43Å; C283-C450 PolarHBondContact O-SG 3.46Å; C283-C450 WeakPolarHBondContact SG-CA 3.19Å; C283-C450 WeakPolarHBondContact SG-CB 3Å; C283-C450 CovalentContact SG-SG 2.01Å; C283-C450 PolarHBondContact SG-SG 2.91Å |
| 284 | K | 73.6 | Confident | 75.5 | Confident | 107 Ų | 107 | 46.7 Ų | 46.7 | 47% | 0.465 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.4 | -51.9 | 178.1 | -174.6 | 61.7 | 177.1 | -177.9 | 0 | 111.4 | S282 C286 S287 V288 P453 | S282-K284 PolarHBondContact O-N 3.23Å; K284-C286 VanDerWaalsContact C-N 3.25Å; K284-C286 PolarHBondContact O-N 2.75Å; K284-S287 PolarHBondContact O-N 3.49Å; K284-S287 PolarHBondContact O-OG 2.72Å; K284-V288 WeakPolarHBondContact O-CG2 3.11Å; K284-V288 PolarHBondContact O-N 3.08Å; K284-P453 HydrophobicContact CB-CG 4.42Å |
| 285 | S | 76.2 | Confident | 75.7 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 29% | 0.287 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 178.8 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | K280 S282 V288 | K280-S285 WeakPolarHBondContact CD-O 3.44Å; S282-S285 PolarHBondContact N-OG 2.97Å; S282-S285 PolarHBondContact O-N 3.34Å; S282-S285 VanDerWaalsContact O-N 3.17Å; S282-S285 PolarHBondContact O-OG 2.93Å; S282-S285 WeakPolarHBondContact OG-CB 3.29Å; S282-S285 PolarHBondContact OG-N 3.04Å; S282-S285 PolarHBondContact OG-OG 3.09Å; S285-V288 PolarHBondContact O-N 3.45Å |
| 286 | C | 78 | Confident | 75.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 173.1 | -163.3 | 0 | 0 | 0 | 0 | 112.1 | K280 S282 C283 K284 V288 D289 Q293 W294 C301 | K280-C286 HydrophobicContact CB-CB 4.47Å; S282-C286 WeakPolarHBondContact O-CB 3.22Å; S282-C286 PolarHBondContact O-N 2.99Å; C283-C286 WeakPolarHBondContact O-CB 3.17Å; C283-C286 PolarHBondContact O-N 2.83Å; K284-C286 VanDerWaalsContact C-N 3.25Å; K284-C286 PolarHBondContact O-N 2.75Å; C286-V288 PolarHBondContact O-N 2.93Å; C286-V288 VanDerWaalsContact O-N 3.14Å; C286-D289 PolarHBondContact O-N 3.41Å; C286-Q293 PolarHBondContact SG-O 3.12Å; C286-W294 HydrophobicContact CB-CB 4.44Å; C286-W294 HydrophobicContact CB-CE3 3.86Å; C286-W294 PolarHBondContact SG-N 2.82Å; C286-C301 VanDerWaalsContact CA-SG 3.52Å; C286-C301 HydrophobicContact CB-CB 3.69Å; C286-C301 WeakPolarHBondContact CB-SG 3.49Å; C286-C301 VanDerWaalsContact SG-CA 3.59Å; C286-C301 WeakPolarHBondContact SG-CB 3.47Å; C286-C301 CovalentContact SG-SG 2.03Å; C286-C301 PolarHBondContact SG-SG 3.06Å |
| 287 | S | 71.1 | Confident | 75 | Confident | 50 Ų | 50 | 57 Ų | 57 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.9 | -12.8 | -178.1 | 72.2 | 0 | 0 | 0 | 0 | 115.8 | C283 K284 D289 | C283-S287 WeakPolarHBondContact O-CB 3.33Å; C283-S287 PolarHBondContact O-N 2.02Å; C283-S287 PolarHBondContact O-OG 2.9Å; K284-S287 PolarHBondContact O-N 3.49Å; K284-S287 PolarHBondContact O-OG 2.72Å; S287-D289 VanDerWaalsContact C-N 3.32Å |
| 288 | V | 68.6 | Low | 74.4 | Confident | 96 Ų | 96 | 62.2 Ų | 62.2 | 58% | 0.582 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -72.8 | -32.9 | 173.8 | 177 | 0 | 0 | 0 | 0 | 110.2 | K284 S285 C286 | K284-V288 WeakPolarHBondContact O-CG2 3.11Å; K284-V288 PolarHBondContact O-N 3.08Å; S285-V288 PolarHBondContact O-N 3.45Å; C286-V288 PolarHBondContact O-N 2.93Å; C286-V288 VanDerWaalsContact O-N 3.14Å |
| 289 | D | 70.9 | Confident | 74.1 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -80.5 | 145.1 | 177.9 | -139.4 | -64.7 | 0 | 0 | 0 | 111.7 | K280 C286 S287 N291 C292 | K280-D289 HydrophobicContact CD-CB 4.35Å; K280-D289 WeakPolarHBondContact CE-OD2 3.36Å; K280-D289 IonicContact NZ-OD2 3.56Å; K280-D289 PolarHBondContact NZ-OD2 3.38Å; C286-D289 PolarHBondContact O-N 3.41Å; S287-D289 VanDerWaalsContact C-N 3.32Å; D289-N291 PolarHBondContact OD1-N 3.14Å; D289-C292 HydrophobicContact CB-CB 3.85Å; D289-C292 VanDerWaalsContact CB-SG 3.53Å |
| 290 | Q | 67.3 | Low | 74.1 | Confident | 107 Ų | 107 | 64 Ų | 64 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -85.4 | -22 | 177.7 | -66.8 | -178.7 | -8 | 0 | 0 | 112 | L304 | Q290-L304 WeakPolarHBondContact O-CD1 3.27Š|
| 291 | N | 73.8 | Confident | 74.1 | Confident | 92 Ų | 92 | 62.2 Ų | 62.2 | 49% | 0.492 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -99.5 | 6.3 | -176 | -61.4 | -24.6 | 0 | 0 | 0 | 112.9 | P273 C277 D289 L304 | P273-N291 HydrophobicContact CB-CB 3.55Å; P273-N291 HydrophobicContact CG-CB 4.16Å; C277-N291 PolarHBondContact SG-O 3.04Å; D289-N291 PolarHBondContact OD1-N 3.14Å; N291-L304 PolarHBondContact O-N 3.38Å |
| 292 | C | 78.3 | Confident | 74.3 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 146 | -177 | -53.4 | 0 | 0 | 0 | 0 | 112.5 | C277 D289 C301 I302 | C277-C292 WeakPolarHBondContact CA-SG 3.37Å; C277-C292 HydrophobicContact CB-CB 3.78Å; C277-C292 WeakPolarHBondContact CB-SG 3.4Å; C277-C292 WeakPolarHBondContact SG-CA 2.97Å; C277-C292 WeakPolarHBondContact SG-CB 3.46Å; C277-C292 CovalentContact SG-SG 2.02Å; C277-C292 PolarHBondContact SG-SG 3.27Å; D289-C292 HydrophobicContact CB-CB 3.85Å; D289-C292 VanDerWaalsContact CB-SG 3.53Å; C292-C301 VanDerWaalsContact CB-SG 3.5Å; C292-I302 CarbonylContact C-O 3.44Å; C292-I302 WeakPolarHBondContact CA-O 2.97Å |
| 293 | Q | 78.4 | Confident | 74.4 | Confident | 33 Ų | 33 | 63.6 Ų | 63.6 | 15% | 0.154 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.6 | 174.6 | 179.8 | -179.2 | -13.3 | 0 | 0 | 110.7 | C286 I302 L304 H445 S446 | C286-Q293 PolarHBondContact SG-O 3.12Å; Q293-I302 HydrophobicContact CB-CG1 4.29Å; Q293-I302 PolarHBondContact N-O 3.17Å; Q293-I302 VanDerWaalsContact O-CG1 3.29Å; Q293-I302 WeakPolarHBondContact O-CG1 3.47Å; Q293-I302 PolarHBondContact O-N 3.31Å; Q293-L304 HydrophobicContact CB-CD2 3.63Å; Q293-L304 HydrophobicContact CB-CG 3.96Å; Q293-L304 HydrophobicContact CG-CD2 4.39Å; Q293-H445 PolarHBondContact OE1-CD2 3.29Å; Q293-H445 VanDerWaalsContact OE1-CD2 3.31Å; Q293-S446 PolarHBondContact NE2-O 3.26Å |
| 294 | W | 77.8 | Confident | 74.2 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 122.4 | 172.7 | -171.8 | -102.4 | 0 | 0 | 0 | 111.5 | A42 C283 C286 N296 Q299 C301 | A42-W294 HydrophobicContact CB-CH2 3.79Å; A42-W294 HydrophobicContact CB-CZ2 4.11Å; C283-W294 VanDerWaalsContact CA-CD2 3.47Å; C283-W294 VanDerWaalsContact CA-CE3 3.48Å; C283-W294 HydrophobicContact CB-CB 4.34Å; C283-W294 HydrophobicContact CB-CD2 3.64Å; C283-W294 HydrophobicContact CB-CE3 4.19Å; C283-W294 HydrophobicContact CB-CG 3.72Å; C283-W294 HydrophobicContact CB-CZ2 4.29Å; C283-W294 VanDerWaalsContact N-CZ3 3.34Å; C283-W294 WeakPolarHBondContact SG-CB 3.32Å; C286-W294 HydrophobicContact CB-CB 4.44Å; C286-W294 HydrophobicContact CB-CE3 3.86Å; C286-W294 PolarHBondContact SG-N 2.82Å; W294-N296 PolarHBondContact NE1-OD1 2.86Å; W294-Q299 HydrophobicContact CZ2-CB 4.19Å; W294-C301 HydrophobicContact CE3-CB 3.98Å; W294-C301 HydrophobicContact CZ3-CB 4.18Å |
| 295 | D | 76.6 | Confident | 73.7 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 19% | 0.187 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 107.8 | 168.6 | -178.9 | 11.3 | 0 | 0 | 0 | 110.2 | R297 N298 Q299 E300 I302 | D295-R297 VanDerWaalsContact C-N 3.26Å; D295-R297 PolarHBondContact O-N 3.44Å; D295-R297 WeakPolarHBondContact OD1-CB 3.49Å; D295-R297 PolarHBondContact OD1-N 2.61Å; D295-N298 PolarHBondContact OD2-ND2 3.28Å; D295-Q299 WeakPolarHBondContact O-CA 3.45Å; D295-Q299 PolarHBondContact O-N 3.41Å; D295-E300 PolarHBondContact N-O 2.7Å; D295-E300 PolarHBondContact O-N 3.29Å; D295-I302 HydrophobicContact CB-CD1 4.45Å; D295-I302 HydrophobicContact CB-CG2 4.47Å |
| 296 | N | 69.9 | Low | 72.7 | Confident | 61 Ų | 61 | 69.1 Ų | 69.1 | 33% | 0.326 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -20 | 177.4 | -82.2 | -43.5 | 0 | 0 | 0 | 113.9 | W294 Q299 | W294-N296 PolarHBondContact NE1-OD1 2.86Å; N296-Q299 PolarHBondContact O-NE2 3.14Å |
| 297 | R | 69.4 | Low | 71.7 | Confident | 230 Ų | 230 | 74.5 Ų | 74.5 | 87% | 0.868 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -49.3 | -179.7 | -68.2 | -176.9 | 179 | -176.7 | 0.8 | 110.9 | D295 | D295-R297 VanDerWaalsContact C-N 3.26Å; D295-R297 PolarHBondContact O-N 3.44Å; D295-R297 WeakPolarHBondContact OD1-CB 3.49Å; D295-R297 PolarHBondContact OD1-N 2.61Å |
| 298 | N | 69.1 | Low | 71.4 | Confident | 108 Ų | 108 | 73.5 Ų | 73.5 | 58% | 0.578 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -8.5 | -179.1 | -61.4 | -45 | 0 | 0 | 0 | 113.3 | D295 E300 | D295-N298 PolarHBondContact OD2-ND2 3.28Å; N298-E300 HydrophobicContact CB-CG 4.47Å |
| 299 | Q | 73.6 | Confident | 71.5 | Confident | 68 Ų | 68 | 69.3 Ų | 69.3 | 32% | 0.318 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 45.9 | -173 | -61.1 | -69.8 | -48.1 | 0 | 0 | 111.9 | A42 W294 D295 N296 | A42-Q299 HydrophobicContact CB-CB 3.64Å; A42-Q299 WeakPolarHBondContact CB-O 3.19Å; W294-Q299 HydrophobicContact CZ2-CB 4.19Å; D295-Q299 WeakPolarHBondContact O-CA 3.45Å; D295-Q299 PolarHBondContact O-N 3.41Å; N296-Q299 PolarHBondContact O-NE2 3.14Å |
| 300 | E | 77.3 | Confident | 71.3 | Confident | 102 Ų | 102 | 68.6 Ų | 68.6 | 48% | 0.477 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 153.1 | -177.1 | -70.4 | -178.4 | 161.1 | 0 | 0 | 111.2 | D295 N298 | D295-E300 PolarHBondContact N-O 2.7Å; D295-E300 PolarHBondContact O-N 3.29Å; N298-E300 HydrophobicContact CB-CG 4.47Å |
| 301 | C | 80.3 | Confident | 71.3 | Confident | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.02 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 108.6 | 176.5 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | C277 N278 K280 C286 C292 W294 | C277-C301 CarbonylContact C-O 3.58Å; C277-C301 VanDerWaalsContact C-O 3.29Å; C277-C301 VanDerWaalsContact O-CB 3.24Å; C277-C301 WeakPolarHBondContact O-CB 3.34Å; C277-C301 PolarHBondContact O-SG 3.23Å; N278-C301 PolarHBondContact OD1-O 3.02Å; K280-C301 HydrophobicContact CB-CB 4.05Å; K280-C301 WeakPolarHBondContact O-CB 3.37Å; C286-C301 VanDerWaalsContact CA-SG 3.52Å; C286-C301 HydrophobicContact CB-CB 3.69Å; C286-C301 WeakPolarHBondContact CB-SG 3.49Å; C286-C301 VanDerWaalsContact SG-CA 3.59Å; C286-C301 WeakPolarHBondContact SG-CB 3.47Å; C286-C301 CovalentContact SG-SG 2.03Å; C286-C301 PolarHBondContact SG-SG 3.06Å; C292-C301 VanDerWaalsContact CB-SG 3.5Å; W294-C301 HydrophobicContact CE3-CB 3.98Å; W294-C301 HydrophobicContact CZ3-CB 4.18Å |
| 302 | I | 81.3 | Confident | 71.2 | Confident | 66 Ų | 66 | 71.7 Ų | 71.7 | 34% | 0.338 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 155.4 | -178 | 60.5 | 169.3 | 0 | 0 | 0 | 110.6 | C292 Q293 D295 | C292-I302 CarbonylContact C-O 3.44Å; C292-I302 WeakPolarHBondContact CA-O 2.97Å; Q293-I302 HydrophobicContact CB-CG1 4.29Å; Q293-I302 PolarHBondContact N-O 3.17Å; Q293-I302 VanDerWaalsContact O-CG1 3.29Å; Q293-I302 WeakPolarHBondContact O-CG1 3.47Å; Q293-I302 PolarHBondContact O-N 3.31Å; D295-I302 HydrophobicContact CB-CD1 4.45Å; D295-I302 HydrophobicContact CB-CG2 4.47Å |
| 303 | S | 77.9 | Confident | 71.4 | Confident | 39 Ų | 39 | 72.4 Ų | 72.4 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 143.8 | 168.1 | 50.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 304 | L | 69.3 | Low | 71.4 | Confident | 18 Ų | 18 | 74.7 Ų | 74.7 | 9% | 0.094 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 136.9 | 170.5 | -76.2 | 166.4 | 0 | 0 | 0 | 109.4 | Q290 N291 Q293 E306 V308 L315 | Q290-L304 WeakPolarHBondContact O-CD1 3.27Å; N291-L304 PolarHBondContact O-N 3.38Å; Q293-L304 HydrophobicContact CB-CD2 3.63Å; Q293-L304 HydrophobicContact CB-CG 3.96Å; Q293-L304 HydrophobicContact CG-CD2 4.39Å; L304-E306 PolarHBondContact O-N 3.27Å; L304-V308 HydrophobicContact CB-CG2 4.32Å; L304-V308 HydrophobicContact CD2-CG2 4.21Å; L304-L315 HydrophobicContact CD1-CD2 3.62Å |
| 305 | P | 62.9 | Low | 71.4 | Confident | 90 Ų | 90 | 75.7 Ų | 75.7 | 58% | 0.584 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 136.4 | 172.3 | -19.7 | 29.2 | 0 | 0 | 0 | 110.2 | N307 V308 | P305-N307 PolarHBondContact O-N 2.88Å; P305-V308 HydrophobicContact CB-CG2 4.36Å; P305-V308 HydrophobicContact CG-CG2 4.38Å; P305-V308 WeakPolarHBondContact O-CG2 3.25Å; P305-V308 PolarHBondContact O-N 3.46Å |
| 306 | E | 55.3 | Low | 71.4 | Confident | 173 Ų | 173 | 74.2 Ų | 74.2 | 81% | 0.808 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -19.3 | -177.1 | -70 | 178.8 | 160.4 | 0 | 0 | 114.1 | L304 | L304-E306 PolarHBondContact O-N 3.27Š|
| 307 | N | 57 | Low | 71.5 | Confident | 114 Ų | 114 | 73.1 Ų | 73.1 | 61% | 0.61 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | 30.2 | -174.4 | -71.7 | -37.1 | 0 | 0 | 0 | 115.6 | P305 C309 G310 | P305-N307 PolarHBondContact O-N 2.88Å; N307-C309 VanDerWaalsContact C-N 3.27Å; N307-C309 PolarHBondContact O-N 3.27Å; N307-G310 PolarHBondContact O-N 2.84Å |
| 308 | V | 65.1 | Low | 71.7 | Confident | 28 Ų | 28 | 66.5 Ų | 66.5 | 17% | 0.17 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -57.9 | -37.7 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 113.4 | L304 P305 A443 H445 | L304-V308 HydrophobicContact CB-CG2 4.32Å; L304-V308 HydrophobicContact CD2-CG2 4.21Å; P305-V308 HydrophobicContact CB-CG2 4.36Å; P305-V308 HydrophobicContact CG-CG2 4.38Å; P305-V308 WeakPolarHBondContact O-CG2 3.25Å; P305-V308 PolarHBondContact O-N 3.46Å; V308-A443 HydrophobicContact CG1-CB 3.98Å; V308-H445 HydrophobicContact CG1-CB 4.22Å; V308-H445 WeakPolarHBondContact CG1-ND1 2.9Å |
| 309 | C | 68.9 | Low | 72.3 | Confident | 9 Ų | 9 | 62 Ų | 62 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -103.7 | -4.5 | -176.6 | -69.1 | 0 | 0 | 0 | 0 | 113.8 | N307 W313 C320 R441 | N307-C309 VanDerWaalsContact C-N 3.27Å; N307-C309 PolarHBondContact O-N 3.27Å; C309-W313 HydrophobicContact CB-CB 3.62Å; C309-W313 WeakPolarHBondContact O-CB 3.21Å; C309-C320 WeakPolarHBondContact CA-SG 3.32Å; C309-C320 HydrophobicContact CB-CB 3.61Å; C309-C320 WeakPolarHBondContact CB-SG 3.26Å; C309-C320 VanDerWaalsContact SG-CA 3.58Å; C309-C320 WeakPolarHBondContact SG-CB 3.37Å; C309-C320 CovalentContact SG-SG 2.02Å; C309-C320 PolarHBondContact SG-SG 2.91Å; C309-R441 PolarHBondContact O-NH2 3.43Å |
| 310 | G | 68.5 | Low | 72.9 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | trans | 73.6 | 164.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N307 W313 | N307-G310 PolarHBondContact O-N 2.84Å; G310-W313 PolarHBondContact O-N 3.1Å | ||
| 311 | E | 65.5 | Low | 73.5 | Confident | 168 Ų | 168 | 54 Ų | 54 | 79% | 0.785 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 140 | 177.3 | -63.9 | 179.9 | 174.7 | 0 | 0 | 110.7 | ||
| 312 | T | 73.1 | Confident | 73.9 | Confident | 96 Ų | 96 | 56 Ų | 56 | 59% | 0.589 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 6 | -177.5 | 76.1 | 0 | 0 | 0 | 0 | 117.7 | K322 | T312-K322 PolarHBondContact OG1-NZ 3.09Š|
| 313 | W | 81.4 | Confident | 74.3 | Confident | 25 Ų | 25 | 53.9 Ų | 53.9 | 10% | 0.095 | 30% | 0.3 | C | S | . | . | trans | -117 | 140.9 | 174.8 | -67.2 | 77.8 | 0 | 0 | 0 | 111.5 | C309 G310 C320 K322 H340 A342 C439 R441 | C309-W313 HydrophobicContact CB-CB 3.62Å; C309-W313 WeakPolarHBondContact O-CB 3.21Å; G310-W313 PolarHBondContact O-N 3.1Å; W313-C320 HydrophobicContact CB-CB 4.37Å; W313-C320 HydrophobicContact CD2-CB 4.49Å; W313-C320 HydrophobicContact CE3-CB 3.85Å; W313-K322 HydrophobicContact CD2-CB 3.58Å; W313-K322 HydrophobicContact CD2-CD 3.94Å; W313-K322 HydrophobicContact CD2-CG 4.38Å; W313-K322 VanDerWaalsContact CE2-CD 3.44Å; W313-K322 HydrophobicContact CE3-CB 3.41Å; W313-K322 VanDerWaalsContact CE3-CB 3.41Å; W313-K322 HydrophobicContact CG-CB 4.23Å; W313-K322 HydrophobicContact CG-CD 4.29Å; W313-K322 HydrophobicContact CH2-CB 3.82Å; W313-K322 HydrophobicContact CH2-CD 4.28Å; W313-K322 HydrophobicContact CZ2-CB 3.97Å; W313-K322 HydrophobicContact CZ2-CD 3.62Å; W313-K322 HydrophobicContact CZ2-CG 4.4Å; W313-K322 HydrophobicContact CZ3-CB 3.56Å; W313-H340 HydrophobicContact CH2-CB 4.2Å; W313-H340 HydrophobicContact CZ2-CB 3.74Å; W313-A342 HydrophobicContact CH2-CB 3.6Å; W313-A342 HydrophobicContact CZ3-CB 4.11Å; W313-C439 HydrophobicContact CH2-CB 3.94Å; W313-C439 HydrophobicContact CZ3-CB 4.22Å; W313-R441 HydrophobicContact CE3-CG 4.15Å; W313-R441 HydrophobicContact CH2-CG 4.41Å; W313-R441 HydrophobicContact CZ3-CG 3.9Å | ||
| 314 | H | 80.1 | Confident | 74.7 | Confident | 82 Ų | 82 | 53.8 Ų | 53.8 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.4 | 178.7 | -62.7 | -85.9 | 0 | 0 | 0 | 111 | V316 C320 L321 F355 | H314-V316 PolarHBondContact O-N 2.83Å; H314-C320 CarbonylContact O-C 3.55Å; H314-C320 WeakPolarHBondContact O-CA 3.34Å; H314-L321 PolarHBondContact N-O 2.81Å; H314-L321 PolarHBondContact O-N 3.21Å; H314-F355 HydrophobicContact CB-CE1 4.09Å; H314-F355 HydrophobicContact CB-CE2 4.06Å; H314-F355 HydrophobicContact CB-CZ 3.39Å; H314-F355 AromaticContact CG-CZ 3.56Å |
| 315 | L | 77.7 | Confident | 75.4 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 23% | 0.225 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 121.2 | 174.7 | -178.4 | 65.5 | 0 | 0 | 0 | 110.4 | L304 G317 A443 | L304-L315 HydrophobicContact CD1-CD2 3.62Å; L315-G317 WeakPolarHBondContact CD1-O 3.45Å; L315-A443 HydrophobicContact CD1-CB 3.55Å |
| 316 | V | 75.6 | Confident | 76.5 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 100.9 | 177.5 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | H314 N318 S319 L321 K352 F355 | H314-V316 PolarHBondContact O-N 2.83Å; V316-N318 PolarHBondContact O-N 2.94Å; V316-S319 PolarHBondContact N-O 2.85Å; V316-S319 PolarHBondContact O-N 2.95Å; V316-L321 HydrophobicContact CB-CD1 3.92Å; V316-L321 HydrophobicContact CB-CG 4.43Å; V316-L321 HydrophobicContact CG1-CD1 4.41Å; V316-L321 HydrophobicContact CG2-CD1 3.87Å; V316-L321 HydrophobicContact CG2-CG 4.41Å; V316-K352 HydrophobicContact CG1-CG 4.14Å; V316-F355 HydrophobicContact CG1-CB 4.1Å; V316-F355 HydrophobicContact CG1-CG 4.39Å; V316-F355 HydrophobicContact CG2-CB 4.17Å; V316-F355 HydrophobicContact CG2-CD1 3.59Å; V316-F355 HydrophobicContact CG2-CD2 3.84Å; V316-F355 HydrophobicContact CG2-CE1 3.88Å; V316-F355 HydrophobicContact CG2-CE2 4.12Å; V316-F355 HydrophobicContact CG2-CG 3.57Å; V316-F355 HydrophobicContact CG2-CZ 4.14Å |
| 317 | G | 72.1 | Confident | 78.1 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 40% | 0.402 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | -124.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L315 | L315-G317 WeakPolarHBondContact CD1-O 3.45Š|
| 318 | N | 74 | Confident | 79.6 | Confident | 90 Ų | 90 | 48.5 Ų | 48.5 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 13.5 | 176.2 | -75.2 | 17.7 | 0 | 0 | 0 | 112.9 | V316 A443 A447 | V316-N318 PolarHBondContact O-N 2.94Å; N318-A443 WeakPolarHBondContact O-CB 3.44Å; N318-A443 PolarHBondContact O-N 2.9Å; N318-A447 WeakPolarHBondContact ND2-CB 3.29Å; N318-A447 PolarHBondContact ND2-O 2.78Å; N318-A447 WeakPolarHBondContact OD1-CB 3.4Å |
| 319 | S | 80.8 | Confident | 80.9 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.4 | -173.6 | -62.2 | 0 | 0 | 0 | 0 | 110.9 | V316 E440 | V316-S319 PolarHBondContact N-O 2.85Å; V316-S319 PolarHBondContact O-N 2.95Å; S319-E440 WeakPolarHBondContact CB-OE1 3.15Å; S319-E440 PolarHBondContact OG-OE1 2.9Å |
| 320 | C | 87.1 | Confident | 81.9 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 121.4 | 168.5 | -56 | 0 | 0 | 0 | 0 | 108.7 | C309 W313 H314 E440 R441 A443 | C309-C320 WeakPolarHBondContact CA-SG 3.32Å; C309-C320 HydrophobicContact CB-CB 3.61Å; C309-C320 WeakPolarHBondContact CB-SG 3.26Å; C309-C320 VanDerWaalsContact SG-CA 3.58Å; C309-C320 WeakPolarHBondContact SG-CB 3.37Å; C309-C320 CovalentContact SG-SG 2.02Å; C309-C320 PolarHBondContact SG-SG 2.91Å; W313-C320 HydrophobicContact CB-CB 4.37Å; W313-C320 HydrophobicContact CD2-CB 4.49Å; W313-C320 HydrophobicContact CE3-CB 3.85Å; H314-C320 CarbonylContact O-C 3.55Å; H314-C320 WeakPolarHBondContact O-CA 3.34Å; C320-E440 WeakPolarHBondContact O-CA 3.41Å; C320-R441 HydrophobicContact CB-CG 3.75Å; C320-R441 PolarHBondContact N-O 3.34Å; C320-R441 PolarHBondContact O-N 3.17Å; C320-A443 VanDerWaalsContact SG-CA 3.54Å; C320-A443 VanDerWaalsContact SG-CB 3.58Å |
| 321 | L | 89.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 141.1 | 178 | -63.5 | 179.1 | 0 | 0 | 0 | 110.8 | H314 V316 A345 F355 V356 L438 C439 E440 | H314-L321 PolarHBondContact N-O 2.81Å; H314-L321 PolarHBondContact O-N 3.21Å; V316-L321 HydrophobicContact CB-CD1 3.92Å; V316-L321 HydrophobicContact CB-CG 4.43Å; V316-L321 HydrophobicContact CG1-CD1 4.41Å; V316-L321 HydrophobicContact CG2-CD1 3.87Å; V316-L321 HydrophobicContact CG2-CG 4.41Å; L321-A345 HydrophobicContact CD2-CB 4.01Å; L321-F355 HydrophobicContact CB-CE1 4.41Å; L321-F355 HydrophobicContact CD1-CD1 3.95Å; L321-F355 HydrophobicContact CD1-CE1 4.26Å; L321-V356 HydrophobicContact CD1-CG2 4.25Å; L321-L438 HydrophobicContact CB-CD1 4.43Å; L321-C439 CarbonylContact C-O 3.4Å; L321-C439 WeakPolarHBondContact CA-O 3.49Å; L321-E440 HydrophobicContact CD2-CB 3.75Å; L321-E440 HydrophobicContact CD2-CG 3.92Å |
| 322 | K | 89.1 | Confident | 84.1 | Confident | 45 Ų | 45 | 46.4 Ų | 46.4 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 133.3 | 174.3 | 176.3 | 169.9 | 179.1 | 169.2 | 0 | 110.9 | T312 W313 C439 | T312-K322 PolarHBondContact OG1-NZ 3.09Å; W313-K322 HydrophobicContact CD2-CB 3.58Å; W313-K322 HydrophobicContact CD2-CD 3.94Å; W313-K322 HydrophobicContact CD2-CG 4.38Å; W313-K322 VanDerWaalsContact CE2-CD 3.44Å; W313-K322 HydrophobicContact CE3-CB 3.41Å; W313-K322 VanDerWaalsContact CE3-CB 3.41Å; W313-K322 HydrophobicContact CG-CB 4.23Å; W313-K322 HydrophobicContact CG-CD 4.29Å; W313-K322 HydrophobicContact CH2-CB 3.82Å; W313-K322 HydrophobicContact CH2-CD 4.28Å; W313-K322 HydrophobicContact CZ2-CB 3.97Å; W313-K322 HydrophobicContact CZ2-CD 3.62Å; W313-K322 HydrophobicContact CZ2-CG 4.4Å; W313-K322 HydrophobicContact CZ3-CB 3.56Å; K322-C439 PolarHBondContact N-O 3.26Å; K322-C439 PolarHBondContact O-N 3.16Å |
| 323 | F | 88.4 | Confident | 84.9 | Confident | 23 Ų | 23 | 41.9 Ų | 41.9 | 10% | 0.101 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 131.2 | 169.5 | -67.7 | -88.1 | 0 | 0 | 0 | 109.7 | F355 V356 E359 L360 M363 M374 P376 L438 | F323-F355 HydrophobicContact CE2-CE1 4.18Å; F323-V356 HydrophobicContact CE1-CG1 4.29Å; F323-V356 HydrophobicContact CZ-CB 4.43Å; F323-V356 HydrophobicContact CZ-CG1 4.09Å; F323-V356 HydrophobicContact CZ-CG2 4.34Å; F323-E359 HydrophobicContact CE2-CB 3.76Å; F323-E359 HydrophobicContact CE2-CG 4.29Å; F323-E359 HydrophobicContact CZ-CB 4Å; F323-L360 HydrophobicContact CD1-CD2 4.46Å; F323-L360 HydrophobicContact CE1-CD2 3.88Å; F323-L360 HydrophobicContact CE1-CG 4.03Å; F323-L360 HydrophobicContact CZ-CG 4.38Å; F323-M363 HydrophobicContact CB-CE 4.26Å; F323-M363 HydrophobicContact CB-SD 4.5Å; F323-M363 HydrophobicContact CD2-CE 3.8Å; F323-M363 HydrophobicContact CD2-SD 4.48Å; F323-M363 HydrophobicContact CE2-CE 4.36Å; F323-M363 HydrophobicContact CG-CE 4.09Å; F323-M363 HydrophobicContact CG-SD 4.3Å; F323-M374 HydrophobicContact CB-CE 4.24Å; F323-M374 HydrophobicContact CD1-CE 4.03Å; F323-P376 HydrophobicContact CD1-CG 4.49Å; F323-P376 HydrophobicContact CE1-CG 4.32Å; F323-L438 HydrophobicContact CD1-CD1 3.88Å; F323-L438 HydrophobicContact CD2-CD1 4.23Å; F323-L438 HydrophobicContact CE1-CD1 3.76Å; F323-L438 HydrophobicContact CE2-CD1 4.12Å; F323-L438 HydrophobicContact CG-CD1 4.12Å; F323-L438 HydrophobicContact CZ-CD1 3.89Å |
| 324 | N | 86.3 | Confident | 85.3 | Confident | 37 Ų | 37 | 42 Ų | 42 | 20% | 0.198 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 134.5 | 167.1 | -174 | 9 | 0 | 0 | 0 | 108.5 | T326 M374 G436 S437 | N324-T326 PolarHBondContact ND2-OG1 3.13Å; N324-T326 VanDerWaalsContact ND2-OG1 3.1Å; N324-T326 PolarHBondContact OD1-N 3.25Å; N324-T326 PolarHBondContact OD1-OG1 2.77Å; N324-M374 VanDerWaalsContact O-CE 3.22Å; N324-M374 WeakPolarHBondContact O-CE 3.34Å; N324-G436 CarbonylContact O-C 3.59Å; N324-G436 WeakPolarHBondContact O-CA 3.47Å; N324-S437 PolarHBondContact N-O 3.44Å; N324-S437 PolarHBondContact O-N 3.21Å |
| 325 | T | 85.3 | Confident | 85.8 | Confident | 111 Ų | 111 | 42.7 Ų | 42.7 | 68% | 0.681 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 2.6 | -172.4 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | M374 | T325-M374 HydrophobicContact CG2-CE 4.49Å |
| 326 | T | 86 | Confident | 86.3 | Confident | 54 Ų | 54 | 41.3 Ų | 41.3 | 33% | 0.331 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 141.5 | -179.4 | 56.5 | 0 | 0 | 0 | 0 | 112.5 | N324 E328 G436 | N324-T326 PolarHBondContact ND2-OG1 3.13Å; N324-T326 VanDerWaalsContact ND2-OG1 3.1Å; N324-T326 PolarHBondContact OD1-N 3.25Å; N324-T326 PolarHBondContact OD1-OG1 2.77Å; T326-E328 WeakPolarHBondContact CB-OE1 3.45Å; T326-E328 PolarHBondContact OG1-OE1 3.38Å; T326-G436 VanDerWaalsContact O-CA 3.25Å; T326-G436 WeakPolarHBondContact O-CA 3.38Å; T326-G436 PolarHBondContact O-N 3.41Å |
| 327 | S | 88 | Confident | 87 | Confident | 68 Ų | 68 | 41.2 Ų | 41.2 | 48% | 0.476 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 108.2 | 176.6 | -166.4 | 0 | 0 | 0 | 0 | 109.8 | V434 N435 | S327-V434 WeakPolarHBondContact CA-O 3.4Å; S327-N435 WeakPolarHBondContact CB-OD1 3.48Å; S327-N435 PolarHBondContact OG-OD1 2.85Å |
| 328 | E | 89.5 | Confident | 87.9 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 160.6 | -168.6 | -67.7 | 177.1 | -164.2 | 0 | 0 | 111.5 | T326 N332 A333 W377 P433 V434 | T326-E328 WeakPolarHBondContact CB-OE1 3.45Å; T326-E328 PolarHBondContact OG1-OE1 3.38Å; E328-N332 HydrophobicContact CB-CB 4.11Å; E328-A333 PolarHBondContact OE2-N 3.27Å; E328-W377 PolarHBondContact O-NE1 3.38Å; E328-P433 WeakPolarHBondContact O-CA 3.29Å; E328-V434 PolarHBondContact N-O 3.05Å; E328-V434 PolarHBondContact O-N 2.84Å |
| 329 | S | 91.9 | Very high | 88.5 | Confident | 21 Ų | 21 | 47.5 Ų | 47.5 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | trans | -69.9 | 162.2 | 168.4 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | D331 N332 A333 | S329-D331 VanDerWaalsContact C-N 3.33Å; S329-D331 PolarHBondContact O-N 2.93Å; S329-N332 PolarHBondContact O-N 2.86Å; S329-N332 WeakPolarHBondContact OG-CB 3.44Å; S329-N332 VanDerWaalsContact OG-CG 3.31Å; S329-N332 PolarHBondContact OG-ND2 2.89Å; S329-A333 WeakPolarHBondContact O-CB 3.37Å; S329-A333 PolarHBondContact O-N 3.31Å | ||
| 330 | Y | 90.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.5 | -43.5 | -177.3 | -176.5 | -88.6 | 0 | 0 | 0 | 112.6 | A333 K334 L344 W377 V378 C414 C430 | Y330-A333 PolarHBondContact O-N 2.59Å; Y330-K334 WeakPolarHBondContact O-CB 3.38Å; Y330-K334 PolarHBondContact O-N 2.84Å; Y330-L344 HydrophobicContact CD1-CD1 4.37Å; Y330-L344 HydrophobicContact CD2-CD1 4.07Å; Y330-L344 HydrophobicContact CE1-CD1 3.9Å; Y330-L344 HydrophobicContact CE2-CD1 3.61Å; Y330-L344 HydrophobicContact CG-CD1 4.45Å; Y330-L344 VanDerWaalsContact CZ-CD1 3.49Å; Y330-W377 AromaticContact CD2-CD2 3.84Å; Y330-W377 HydrophobicContact CD2-CD2 3.84Å; Y330-W377 AromaticContact CD2-CE3 3.61Å; Y330-W377 HydrophobicContact CD2-CE3 3.61Å; Y330-W377 HydrophobicContact CD2-CG 4.28Å; Y330-W377 HydrophobicContact CD2-CZ3 4.1Å; Y330-W377 HydrophobicContact CE2-CE3 4.37Å; Y330-V378 WeakPolarHBondContact CE2-O 3.12Å; Y330-C414 WeakPolarHBondContact CD1-SG 3.47Å; Y330-C414 HydrophobicContact CD2-CB 3.5Å; Y330-C414 VanDerWaalsContact CD2-SG 3.56Å; Y330-C414 HydrophobicContact CE2-CB 3.89Å; Y330-C414 HydrophobicContact CG-CB 3.85Å; Y330-C430 WeakPolarHBondContact CB-O 3.32Å; Y330-C430 HydrophobicContact CG-CB 4.5Å; Y330-C430 PolarHBondContact N-O 3.35Å |
| 331 | D | 89.5 | Confident | 88.6 | Confident | 82 Ų | 82 | 57.5 Ų | 57.5 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.2 | -34.5 | -179.3 | -67 | -48.6 | 0 | 0 | 0 | 112.2 | S329 K334 L335 | S329-D331 VanDerWaalsContact C-N 3.33Å; S329-D331 PolarHBondContact O-N 2.93Å; D331-K334 WeakPolarHBondContact O-CB 3.16Å; D331-K334 PolarHBondContact O-N 3.37Å; D331-L335 PolarHBondContact O-N 2.6Å |
| 332 | N | 90.3 | Very high | 88.6 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.6 | -43.3 | 174.2 | -73.2 | -11.9 | 0 | 0 | 0 | 111.3 | E328 S329 K334 L335 A336 | E328-N332 HydrophobicContact CB-CB 4.11Å; S329-N332 PolarHBondContact O-N 2.86Å; S329-N332 WeakPolarHBondContact OG-CB 3.44Å; S329-N332 VanDerWaalsContact OG-CG 3.31Å; S329-N332 PolarHBondContact OG-ND2 2.89Å; N332-K334 VanDerWaalsContact C-N 3.27Å; N332-K334 PolarHBondContact O-N 2.57Å; N332-L335 CarbonylContact O-C 3.57Å; N332-L335 WeakPolarHBondContact O-CA 3.44Å; N332-L335 WeakPolarHBondContact O-CB 3.46Å; N332-L335 PolarHBondContact O-N 3.45Å; N332-L335 VanDerWaalsContact O-N 3.07Å; N332-A336 WeakPolarHBondContact O-CB 3.49Å; N332-A336 PolarHBondContact O-N 3.32Å |
| 333 | A | 90.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E328 S329 Y330 A336 C337 L344 W377 | E328-A333 PolarHBondContact OE2-N 3.27Å; S329-A333 WeakPolarHBondContact O-CB 3.37Å; S329-A333 PolarHBondContact O-N 3.31Å; Y330-A333 PolarHBondContact O-N 2.59Å; A333-A336 PolarHBondContact O-N 2.89Å; A333-C337 PolarHBondContact O-N 3.36Å; A333-C337 PolarHBondContact O-SG 3.06Å; A333-C337 VanDerWaalsContact O-SG 3.42Å; A333-L344 HydrophobicContact CB-CD2 4.43Å; A333-W377 HydrophobicContact CB-CG 4.41Å |
| 334 | K | 89.8 | Confident | 88.9 | Confident | 29 Ų | 29 | 57.4 Ų | 57.4 | 13% | 0.126 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 173.4 | -177.3 | 172.2 | -177.2 | 156.5 | 0 | 112 | Y330 D331 N332 R338 L344 E391 | Y330-K334 WeakPolarHBondContact O-CB 3.38Å; Y330-K334 PolarHBondContact O-N 2.84Å; D331-K334 WeakPolarHBondContact O-CB 3.16Å; D331-K334 PolarHBondContact O-N 3.37Å; N332-K334 VanDerWaalsContact C-N 3.27Å; N332-K334 PolarHBondContact O-N 2.57Å; K334-R338 WeakPolarHBondContact O-CG 3.17Å; K334-R338 PolarHBondContact O-N 3.31Å; K334-L344 HydrophobicContact CB-CD1 3.93Å; K334-L344 HydrophobicContact CB-CG 4.4Å; K334-E391 WeakPolarHBondContact CE-OE1 3.46Å; K334-E391 IonicContact NZ-OE1 3.78Å; K334-E391 PolarHBondContact NZ-OE1 3.14Å; K334-E391 IonicContact NZ-OE2 3.53Å; K334-E391 PolarHBondContact NZ-OE2 2.57Å |
| 335 | L | 89.4 | Confident | 89.1 | Confident | 96 Ų | 96 | 55.6 Ų | 55.6 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 174.9 | -172.6 | 67 | 0 | 0 | 0 | 111.8 | D331 N332 C337 R338 N339 | D331-L335 PolarHBondContact O-N 2.6Å; N332-L335 CarbonylContact O-C 3.57Å; N332-L335 WeakPolarHBondContact O-CA 3.44Å; N332-L335 WeakPolarHBondContact O-CB 3.46Å; N332-L335 PolarHBondContact O-N 3.45Å; N332-L335 VanDerWaalsContact O-N 3.07Å; L335-C337 VanDerWaalsContact C-N 3.34Å; L335-C337 PolarHBondContact O-N 2.76Å; L335-R338 WeakPolarHBondContact O-CB 3.36Å; L335-R338 PolarHBondContact O-N 3.46Å; L335-R338 VanDerWaalsContact O-N 3.09Å; L335-N339 PolarHBondContact O-N 3.2Å |
| 336 | A | 89.1 | Confident | 89.3 | Confident | 14 Ų | 14 | 50.5 Ų | 50.5 | 12% | 0.116 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N332 A333 H340 | N332-A336 WeakPolarHBondContact O-CB 3.49Å; N332-A336 PolarHBondContact O-N 3.32Å; A333-A336 PolarHBondContact O-N 2.89Å; A336-H340 PolarHBondContact O-ND1 2.73Å |
| 337 | C | 90.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 170.9 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | A333 L335 N339 H340 A342 C439 | A333-C337 PolarHBondContact O-N 3.36Å; A333-C337 PolarHBondContact O-SG 3.06Å; A333-C337 VanDerWaalsContact O-SG 3.42Å; L335-C337 VanDerWaalsContact C-N 3.34Å; L335-C337 PolarHBondContact O-N 2.76Å; C337-N339 VanDerWaalsContact C-N 3.31Å; C337-N339 PolarHBondContact O-N 3.26Å; C337-H340 PolarHBondContact O-N 3.44Å; C337-A342 CarbonylContact C-O 3.5Å; C337-A342 HydrophobicContact CB-CB 4.33Å; C337-A342 CarbonylContact O-C 3.5Å; C337-A342 WeakPolarHBondContact O-CA 3.19Å; C337-A342 WeakPolarHBondContact O-CB 3.4Å; C337-A342 PolarHBondContact O-N 3.01Å; C337-A342 VanDerWaalsContact O-O 3.1Å; C337-C439 WeakPolarHBondContact CA-SG 3.46Å; C337-C439 HydrophobicContact CB-CB 3.77Å; C337-C439 WeakPolarHBondContact CB-SG 3.41Å; C337-C439 WeakPolarHBondContact SG-CA 3.09Å; C337-C439 WeakPolarHBondContact SG-CB 3.44Å; C337-C439 CovalentContact SG-SG 2.04Å; C337-C439 PolarHBondContact SG-SG 3.47Å |
| 338 | R | 89.9 | Confident | 89.1 | Confident | 138 Ų | 138 | 47 Ų | 47 | 52% | 0.521 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.6 | -35.8 | 178.1 | -77.8 | -179.2 | 175.6 | -177.8 | -1.5 | 113.2 | K334 L335 H340 N341 A342 | K334-R338 WeakPolarHBondContact O-CG 3.17Å; K334-R338 PolarHBondContact O-N 3.31Å; L335-R338 WeakPolarHBondContact O-CB 3.36Å; L335-R338 PolarHBondContact O-N 3.46Å; L335-R338 VanDerWaalsContact O-N 3.09Å; R338-H340 PolarHBondContact O-N 3.15Å; R338-H340 VanDerWaalsContact O-N 3.12Å; R338-N341 PolarHBondContact O-N 2.98Å; R338-A342 VanDerWaalsContact CA-O 3.26Å; R338-A342 WeakPolarHBondContact CA-O 3.26Å; R338-A342 PolarHBondContact N-O 2.89Å; R338-A342 VanDerWaalsContact N-O 3.16Å |
| 339 | N | 88.3 | Confident | 88.7 | Confident | 124 Ų | 124 | 47.6 Ų | 47.6 | 66% | 0.663 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21.7 | 174.2 | -72.1 | -14.5 | 0 | 0 | 0 | 113 | L335 C337 | L335-N339 PolarHBondContact O-N 3.2Å; C337-N339 VanDerWaalsContact C-N 3.31Å; C337-N339 PolarHBondContact O-N 3.26Å |
| 340 | H | 84.8 | Confident | 88.1 | Confident | 82 Ų | 82 | 51 Ų | 51 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 17.6 | 175.7 | -64.8 | 87.9 | 0 | 0 | 0 | 113.8 | W313 A336 C337 R338 A342 R441 | W313-H340 HydrophobicContact CH2-CB 4.2Å; W313-H340 HydrophobicContact CZ2-CB 3.74Å; A336-H340 PolarHBondContact O-ND1 2.73Å; C337-H340 PolarHBondContact O-N 3.44Å; R338-H340 PolarHBondContact O-N 3.15Å; R338-H340 VanDerWaalsContact O-N 3.12Å; H340-A342 PolarHBondContact O-N 3.44Å; H340-R441 PolarHBondContact O-NH1 2.82Å; H340-R441 VanDerWaalsContact O-NH1 3.15Å |
| 341 | N | 85.4 | Confident | 87.6 | Confident | 143 Ų | 143 | 55.9 Ų | 55.9 | 77% | 0.765 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 38.5 | -171.1 | -64.5 | -32 | 0 | 0 | 0 | 112.8 | R338 R441 | R338-N341 PolarHBondContact O-N 2.98Å; N341-R441 WeakPolarHBondContact O-CB 3.35Å |
| 342 | A | 87.8 | Confident | 87.3 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | trans | -128.5 | 166.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W313 C337 R338 H340 C439 E440 R441 | W313-A342 HydrophobicContact CH2-CB 3.6Å; W313-A342 HydrophobicContact CZ3-CB 4.11Å; C337-A342 CarbonylContact C-O 3.5Å; C337-A342 HydrophobicContact CB-CB 4.33Å; C337-A342 CarbonylContact O-C 3.5Å; C337-A342 WeakPolarHBondContact O-CA 3.19Å; C337-A342 WeakPolarHBondContact O-CB 3.4Å; C337-A342 PolarHBondContact O-N 3.01Å; C337-A342 VanDerWaalsContact O-O 3.1Å; R338-A342 VanDerWaalsContact CA-O 3.26Å; R338-A342 WeakPolarHBondContact CA-O 3.26Å; R338-A342 PolarHBondContact N-O 2.89Å; R338-A342 VanDerWaalsContact N-O 3.16Å; H340-A342 PolarHBondContact O-N 3.44Å; A342-C439 HydrophobicContact CB-CB 4.01Å; A342-E440 CarbonylContact C-O 3.52Å; A342-E440 WeakPolarHBondContact CA-O 3.33Å; A342-E440 WeakPolarHBondContact CB-O 3.49Å; A342-R441 HydrophobicContact CB-CB 3.89Å | ||
| 343 | V | 91.4 | Very high | 87.1 | Confident | 60 Ų | 60 | 48.7 Ų | 48.7 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 169.2 | 172 | -65.4 | 0 | 0 | 0 | 0 | 109.7 | E391 C439 E440 | V343-E391 HydrophobicContact CB-CG 4.27Å; V343-C439 CarbonylContact O-C 3.56Å; V343-C439 WeakPolarHBondContact O-CA 3.45Å; V343-E440 WeakPolarHBondContact CG2-O 3.37Å; V343-E440 PolarHBondContact N-O 3.47Å; V343-E440 PolarHBondContact O-N 2.79Å |
| 344 | L | 92.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 136.4 | 168.9 | -74.3 | 168.6 | 0 | 0 | 0 | 109.6 | Y330 A333 K334 W377 G379 | Y330-L344 HydrophobicContact CD1-CD1 4.37Å; Y330-L344 HydrophobicContact CD2-CD1 4.07Å; Y330-L344 HydrophobicContact CE1-CD1 3.9Å; Y330-L344 HydrophobicContact CE2-CD1 3.61Å; Y330-L344 HydrophobicContact CG-CD1 4.45Å; Y330-L344 VanDerWaalsContact CZ-CD1 3.49Å; A333-L344 HydrophobicContact CB-CD2 4.43Å; K334-L344 HydrophobicContact CB-CD1 3.93Å; K334-L344 HydrophobicContact CB-CG 4.4Å; L344-W377 HydrophobicContact CD2-CB 4.26Å; L344-G379 VanDerWaalsContact CB-CA 3.49Å |
| 345 | A | 91.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -68.1 | 140 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L321 G379 L438 E440 | L321-A345 HydrophobicContact CD2-CB 4.01Å; A345-G379 PolarHBondContact O-N 3.29Å; A345-L438 HydrophobicContact CB-CB 4.19Å; A345-L438 HydrophobicContact CB-CD2 3.62Å; A345-L438 HydrophobicContact CB-CG 3.55Å; A345-L438 WeakPolarHBondContact CB-O 3.39Å; A345-L438 PolarHBondContact N-O 3.13Å; A345-E440 HydrophobicContact CB-CB 3.71Å | ||
| 346 | S | 90.3 | Very high | 86.5 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | trans | -103.7 | 108.5 | 177 | -59.3 | 0 | 0 | 0 | 0 | 109.8 | T348 K352 E440 | S346-T348 VanDerWaalsContact C-N 3.29Å; S346-T348 PolarHBondContact O-N 3.06Å; S346-T348 VanDerWaalsContact O-N 3.09Å; S346-K352 WeakPolarHBondContact O-CD 3.34Å; S346-K352 PolarHBondContact O-NZ 2.81Å; S346-K352 VanDerWaalsContact O-NZ 3.16Å; S346-E440 PolarHBondContact N-OE2 3.44Å | ||
| 347 | L | 87.3 | Confident | 86.5 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | trans | -90.7 | 60.6 | -172.5 | -59.1 | 179.4 | 0 | 0 | 0 | 111.8 | K352 V353 V356 V378 W390 L401 L417 L438 | L347-K352 HydrophobicContact CD2-CB 4.05Å; L347-V353 HydrophobicContact CB-CG2 4.08Å; L347-V356 HydrophobicContact CD2-CG2 3.95Å; L347-V378 HydrophobicContact CD1-CG1 3.93Å; L347-W390 HydrophobicContact CB-CH2 3.75Å; L347-W390 HydrophobicContact CB-CZ2 4.25Å; L347-W390 HydrophobicContact CB-CZ3 4.15Å; L347-W390 HydrophobicContact CG-CH2 4.39Å; L347-W390 HydrophobicContact CG-CZ3 4.43Å; L347-L401 HydrophobicContact CB-CD1 3.92Å; L347-L401 HydrophobicContact CD1-CD1 3.52Å; L347-L401 HydrophobicContact CG-CD1 4.36Å; L347-L417 HydrophobicContact CD1-CD1 4.05Å; L347-L438 HydrophobicContact CD1-CD2 4.46Å; L347-L438 HydrophobicContact CD2-CD2 4.01Å | ||
| 348 | T | 82.6 | Confident | 86.2 | Confident | 46 Ų | 46 | 55.2 Ų | 55.2 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | trans | -89.1 | -9.3 | -173.9 | 52.5 | 0 | 0 | 0 | 0 | 114.7 | S346 W390 S394 | S346-T348 VanDerWaalsContact C-N 3.29Å; S346-T348 PolarHBondContact O-N 3.06Å; S346-T348 VanDerWaalsContact O-N 3.09Å; T348-W390 HydrophobicContact CG2-CG 4.12Å; T348-S394 WeakPolarHBondContact CG2-OG 3.43Å | ||
| 349 | T | 80.6 | Confident | 85.9 | Confident | 64 Ų | 64 | 50.4 Ų | 50.4 | 39% | 0.393 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -124.6 | 146.3 | -177.7 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | K351 K352 V353 | T349-K351 VanDerWaalsContact C-N 3.26Å; T349-K351 PolarHBondContact O-N 3.16Å; T349-K352 PolarHBondContact O-N 2.81Å; T349-K352 VanDerWaalsContact O-N 3.12Å; T349-K352 WeakPolarHBondContact OG1-CG 3.34Å; T349-K352 PolarHBondContact OG1-N 2.99Å; T349-V353 PolarHBondContact O-N 2.03Å |
| 350 | Q | 80 | Confident | 85.7 | Confident | 91 Ų | 91 | 44.6 Ų | 44.6 | 43% | 0.425 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -54.7 | -41.8 | 178.3 | -174.4 | 61.8 | 28.2 | 0 | 0 | 112.3 | K352 V353 D354 T400 | Q350-K352 VanDerWaalsContact C-N 3.34Å; Q350-K352 PolarHBondContact O-N 2.02Å; Q350-V353 PolarHBondContact O-N 2.89Å; Q350-D354 WeakPolarHBondContact CG-OD2 3.41Å; Q350-D354 PolarHBondContact NE2-OD1 2.67Å; Q350-D354 PolarHBondContact NE2-OD2 3.39Å; Q350-D354 PolarHBondContact O-N 2.71Å; Q350-T400 PolarHBondContact OE1-OG1 3.14Å |
| 351 | K | 78.1 | Confident | 85.7 | Confident | 103 Ų | 103 | 45.6 Ų | 45.6 | 45% | 0.448 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59 | -41.6 | 179.1 | -69.2 | -172.1 | 176.4 | -171.5 | 0 | 112.7 | T349 F355 | T349-K351 VanDerWaalsContact C-N 3.26Å; T349-K351 PolarHBondContact O-N 3.16Å; K351-F355 WeakPolarHBondContact O-CB 3.5Å; K351-F355 PolarHBondContact O-N 3.08Å |
| 352 | K | 85 | Confident | 85.4 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 8% | 0.083 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.6 | -42.6 | 176.9 | -72.5 | -178.3 | -174.6 | -177.1 | 0 | 111.3 | V316 S346 L347 T349 Q350 V356 E440 | V316-K352 HydrophobicContact CG1-CG 4.14Å; S346-K352 WeakPolarHBondContact O-CD 3.34Å; S346-K352 PolarHBondContact O-NZ 2.81Å; S346-K352 VanDerWaalsContact O-NZ 3.16Å; L347-K352 HydrophobicContact CD2-CB 4.05Å; T349-K352 PolarHBondContact O-N 2.81Å; T349-K352 VanDerWaalsContact O-N 3.12Å; T349-K352 WeakPolarHBondContact OG1-CG 3.34Å; T349-K352 PolarHBondContact OG1-N 2.99Å; Q350-K352 VanDerWaalsContact C-N 3.34Å; Q350-K352 PolarHBondContact O-N 2.02Å; K352-V356 VanDerWaalsContact O-CG2 3.27Å; K352-V356 WeakPolarHBondContact O-CG2 3.06Å; K352-V356 PolarHBondContact O-N 3.43Å; K352-V356 VanDerWaalsContact O-N 3.07Å; K352-E440 WeakPolarHBondContact CE-OE1 3.35Å; K352-E440 VanDerWaalsContact NZ-CD 3.35Å; K352-E440 IonicContact NZ-OE1 3.08Å; K352-E440 PolarHBondContact NZ-OE1 3.16Å; K352-E440 IonicContact NZ-OE2 3.24Å; K352-E440 PolarHBondContact NZ-OE2 3.25Å |
| 353 | V | 85.6 | Confident | 84.7 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -49.7 | 179.8 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | L347 T349 Q350 F355 V356 L357 T400 L401 | L347-V353 HydrophobicContact CB-CG2 4.08Å; T349-V353 PolarHBondContact O-N 2.03Å; Q350-V353 PolarHBondContact O-N 2.89Å; V353-F355 VanDerWaalsContact C-N 3.31Å; V353-F355 PolarHBondContact O-N 2.92Å; V353-V356 PolarHBondContact O-N 3.35Å; V353-L357 HydrophobicContact CG1-CD1 3.76Å; V353-L357 HydrophobicContact CG1-CG 4.17Å; V353-L357 VanDerWaalsContact O-CG 3.31Å; V353-L357 WeakPolarHBondContact O-CG 3.37Å; V353-L357 PolarHBondContact O-N 3.33Å; V353-T400 WeakPolarHBondContact CG2-OG1 3.44Å; V353-L401 HydrophobicContact CG1-CD2 3.72Å; V353-L401 HydrophobicContact CG1-CG 3.91Å; V353-L401 HydrophobicContact CG2-CD1 4.17Å; V353-L401 HydrophobicContact CG2-CG 3.92Å |
| 354 | D | 83.6 | Confident | 83.8 | Confident | 87 Ų | 87 | 43.5 Ų | 43.5 | 47% | 0.465 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.3 | -41.8 | -179.8 | -68.8 | -23.7 | 0 | 0 | 0 | 112.2 | Q350 K358 | Q350-D354 WeakPolarHBondContact CG-OD2 3.41Å; Q350-D354 PolarHBondContact NE2-OD1 2.67Å; Q350-D354 PolarHBondContact NE2-OD2 3.39Å; Q350-D354 PolarHBondContact O-N 2.71Å; D354-K358 VanDerWaalsContact O-CB 3.29Å; D354-K358 WeakPolarHBondContact O-CB 3.01Å; D354-K358 PolarHBondContact O-N 3.4Å |
| 355 | F | 85.8 | Confident | 82.5 | Confident | 35 Ų | 35 | 48.6 Ų | 48.6 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.6 | -51.9 | 175.8 | 173.3 | -95.5 | 0 | 0 | 0 | 111.7 | H314 V316 L321 F323 K351 V353 L357 K358 E359 | H314-F355 HydrophobicContact CB-CE1 4.09Å; H314-F355 HydrophobicContact CB-CE2 4.06Å; H314-F355 HydrophobicContact CB-CZ 3.39Å; H314-F355 AromaticContact CG-CZ 3.56Å; V316-F355 HydrophobicContact CG1-CB 4.1Å; V316-F355 HydrophobicContact CG1-CG 4.39Å; V316-F355 HydrophobicContact CG2-CB 4.17Å; V316-F355 HydrophobicContact CG2-CD1 3.59Å; V316-F355 HydrophobicContact CG2-CD2 3.84Å; V316-F355 HydrophobicContact CG2-CE1 3.88Å; V316-F355 HydrophobicContact CG2-CE2 4.12Å; V316-F355 HydrophobicContact CG2-CG 3.57Å; V316-F355 HydrophobicContact CG2-CZ 4.14Å; L321-F355 HydrophobicContact CB-CE1 4.41Å; L321-F355 HydrophobicContact CD1-CD1 3.95Å; L321-F355 HydrophobicContact CD1-CE1 4.26Å; F323-F355 HydrophobicContact CE2-CE1 4.18Å; K351-F355 WeakPolarHBondContact O-CB 3.5Å; K351-F355 PolarHBondContact O-N 3.08Å; V353-F355 VanDerWaalsContact C-N 3.31Å; V353-F355 PolarHBondContact O-N 2.92Å; F355-L357 PolarHBondContact O-N 3.36Å; F355-K358 PolarHBondContact O-N 2.98Å; F355-E359 HydrophobicContact CD1-CG 4.49Å; F355-E359 HydrophobicContact CD2-CG 4.27Å; F355-E359 HydrophobicContact CE1-CG 4Å; F355-E359 HydrophobicContact CE2-CG 3.74Å; F355-E359 HydrophobicContact CZ-CG 3.59Å; F355-E359 PolarHBondContact O-N 3.15Å |
| 356 | V | 87.6 | Confident | 80.9 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.8 | -43.3 | -176.9 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | L321 F323 L347 K352 V353 E359 L360 L417 L438 | L321-V356 HydrophobicContact CD1-CG2 4.25Å; F323-V356 HydrophobicContact CE1-CG1 4.29Å; F323-V356 HydrophobicContact CZ-CB 4.43Å; F323-V356 HydrophobicContact CZ-CG1 4.09Å; F323-V356 HydrophobicContact CZ-CG2 4.34Å; L347-V356 HydrophobicContact CD2-CG2 3.95Å; K352-V356 VanDerWaalsContact O-CG2 3.27Å; K352-V356 WeakPolarHBondContact O-CG2 3.06Å; K352-V356 PolarHBondContact O-N 3.43Å; K352-V356 VanDerWaalsContact O-N 3.07Å; V353-V356 PolarHBondContact O-N 3.35Å; V356-E359 PolarHBondContact O-N 3.24Å; V356-L360 HydrophobicContact CG1-CD1 3.8Å; V356-L360 HydrophobicContact CG1-CG 4.34Å; V356-L360 WeakPolarHBondContact O-CB 3.39Å; V356-L360 VanDerWaalsContact O-CG 3.26Å; V356-L360 WeakPolarHBondContact O-CG 3.32Å; V356-L360 PolarHBondContact O-N 2.93Å; V356-L417 HydrophobicContact CG1-CD1 3.65Å; V356-L438 HydrophobicContact CG1-CD2 4.09Å; V356-L438 HydrophobicContact CG2-CD2 3.53Å |
| 357 | L | 87.6 | Confident | 79.2 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 178.2 | -66 | -179.3 | 0 | 0 | 0 | 111.4 | V353 F355 L360 Q361 L401 | V353-L357 HydrophobicContact CG1-CD1 3.76Å; V353-L357 HydrophobicContact CG1-CG 4.17Å; V353-L357 VanDerWaalsContact O-CG 3.31Å; V353-L357 WeakPolarHBondContact O-CG 3.37Å; V353-L357 PolarHBondContact O-N 3.33Å; F355-L357 PolarHBondContact O-N 3.36Å; L357-L360 PolarHBondContact O-N 2.96Å; L357-Q361 VanDerWaalsContact O-CG 3.27Å; L357-Q361 WeakPolarHBondContact O-CG 3.48Å; L357-Q361 PolarHBondContact O-N 2.8Å; L357-L401 HydrophobicContact CD2-CD2 4.43Å |
| 358 | K | 85.1 | Confident | 77.4 | Confident | 133 Ų | 133 | 60.6 Ų | 60.6 | 58% | 0.578 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.5 | -47.7 | 177 | -176 | -176.4 | 175.6 | -170.4 | 0 | 111.8 | D354 F355 Q361 I362 | D354-K358 VanDerWaalsContact O-CB 3.29Å; D354-K358 WeakPolarHBondContact O-CB 3.01Å; D354-K358 PolarHBondContact O-N 3.4Å; F355-K358 PolarHBondContact O-N 2.98Å; K358-Q361 WeakPolarHBondContact O-CB 3.21Å; K358-Q361 PolarHBondContact O-N 3.48Å; K358-I362 HydrophobicContact CG-CD1 4.15Å; K358-I362 WeakPolarHBondContact O-CG1 3.46Å; K358-I362 PolarHBondContact O-N 3.19Å |
| 359 | E | 84.1 | Confident | 75.8 | Confident | 37 Ų | 37 | 63.6 Ų | 63.6 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 178.7 | -74 | -54.8 | 134.6 | 0 | 0 | 112.1 | F323 F355 V356 Q361 I362 M363 | F323-E359 HydrophobicContact CE2-CB 3.76Å; F323-E359 HydrophobicContact CE2-CG 4.29Å; F323-E359 HydrophobicContact CZ-CB 4Å; F355-E359 HydrophobicContact CD1-CG 4.49Å; F355-E359 HydrophobicContact CD2-CG 4.27Å; F355-E359 HydrophobicContact CE1-CG 4Å; F355-E359 HydrophobicContact CE2-CG 3.74Å; F355-E359 HydrophobicContact CZ-CG 3.59Å; F355-E359 PolarHBondContact O-N 3.15Å; V356-E359 PolarHBondContact O-N 3.24Å; E359-Q361 VanDerWaalsContact C-N 3.32Å; E359-Q361 PolarHBondContact O-N 3.08Å; E359-I362 PolarHBondContact O-N 2.78Å; E359-M363 WeakPolarHBondContact O-CB 3.02Å; E359-M363 VanDerWaalsContact O-CG 3.31Å; E359-M363 WeakPolarHBondContact O-CG 2.98Å; E359-M363 PolarHBondContact O-N 2.96Å |
| 360 | L | 83.9 | Confident | 74.3 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 174.2 | -74.7 | 173.6 | 0 | 0 | 0 | 112.5 | F323 V356 L357 N364 M374 P376 L417 P420 | F323-L360 HydrophobicContact CD1-CD2 4.46Å; F323-L360 HydrophobicContact CE1-CD2 3.88Å; F323-L360 HydrophobicContact CE1-CG 4.03Å; F323-L360 HydrophobicContact CZ-CG 4.38Å; V356-L360 HydrophobicContact CG1-CD1 3.8Å; V356-L360 HydrophobicContact CG1-CG 4.34Å; V356-L360 WeakPolarHBondContact O-CB 3.39Å; V356-L360 VanDerWaalsContact O-CG 3.26Å; V356-L360 WeakPolarHBondContact O-CG 3.32Å; V356-L360 PolarHBondContact O-N 2.93Å; L357-L360 PolarHBondContact O-N 2.96Å; L360-N364 WeakPolarHBondContact O-CB 3.34Å; L360-N364 VanDerWaalsContact O-CG 3.27Å; L360-N364 PolarHBondContact O-N 2.82Å; L360-N364 PolarHBondContact O-ND2 2.86Å; L360-M374 HydrophobicContact CD2-CB 4.36Å; L360-M374 HydrophobicContact CD2-CG 3.81Å; L360-P376 HydrophobicContact CD1-CG 4.22Å; L360-P376 HydrophobicContact CD2-CG 3.96Å; L360-L417 HydrophobicContact CD1-CB 4.35Å; L360-L417 HydrophobicContact CD1-CD1 3.92Å; L360-P420 HydrophobicContact CB-CB 4.03Å |
| 361 | Q | 83.4 | Confident | 72.9 | Confident | 103 Ų | 103 | 75.1 Ų | 75.1 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 172.4 | -71.5 | 174.4 | -2.9 | 0 | 0 | 111 | L357 K358 E359 N364 V365 P420 | L357-Q361 VanDerWaalsContact O-CG 3.27Å; L357-Q361 WeakPolarHBondContact O-CG 3.48Å; L357-Q361 PolarHBondContact O-N 2.8Å; K358-Q361 WeakPolarHBondContact O-CB 3.21Å; K358-Q361 PolarHBondContact O-N 3.48Å; E359-Q361 VanDerWaalsContact C-N 3.32Å; E359-Q361 PolarHBondContact O-N 3.08Å; Q361-N364 PolarHBondContact O-N 3.03Å; Q361-V365 WeakPolarHBondContact O-CB 3.25Å; Q361-V365 WeakPolarHBondContact O-CG2 3.23Å; Q361-V365 PolarHBondContact O-N 3.46Å; Q361-P420 HydrophobicContact CG-CB 3.75Å; Q361-P420 HydrophobicContact CG-CG 4.18Å; Q361-P420 PolarHBondContact NE2-O 2.72Å; Q361-P420 VanDerWaalsContact NE2-O 3.08Å |
| 362 | I | 79.9 | Confident | 72 | Confident | 65 Ų | 65 | 74.6 Ų | 74.6 | 33% | 0.333 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 178.1 | -66.5 | 166.1 | 0 | 0 | 0 | 110.8 | K358 E359 V365 M366 | K358-I362 HydrophobicContact CG-CD1 4.15Å; K358-I362 WeakPolarHBondContact O-CG1 3.46Å; K358-I362 PolarHBondContact O-N 3.19Å; E359-I362 PolarHBondContact O-N 2.78Å; I362-V365 PolarHBondContact O-N 2.88Å; I362-M366 HydrophobicContact CG2-CE 3.79Å; I362-M366 PolarHBondContact O-N 3.03Å |
| 363 | M | 73.9 | Confident | 71.4 | Confident | 61 Ų | 61 | 77.9 Ų | 77.9 | 30% | 0.3 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | 179.8 | -69.3 | -178.1 | -172.6 | 0 | 0 | 112.6 | F323 E359 G367 | F323-M363 HydrophobicContact CB-CE 4.26Å; F323-M363 HydrophobicContact CB-SD 4.5Å; F323-M363 HydrophobicContact CD2-CE 3.8Å; F323-M363 HydrophobicContact CD2-SD 4.48Å; F323-M363 HydrophobicContact CE2-CE 4.36Å; F323-M363 HydrophobicContact CG-CE 4.09Å; F323-M363 HydrophobicContact CG-SD 4.3Å; E359-M363 WeakPolarHBondContact O-CB 3.02Å; E359-M363 VanDerWaalsContact O-CG 3.31Å; E359-M363 WeakPolarHBondContact O-CG 2.98Å; E359-M363 PolarHBondContact O-N 2.96Å; M363-G367 WeakPolarHBondContact O-CA 3.08Å; M363-G367 PolarHBondContact O-N 2.87Å |
| 364 | N | 71.3 | Confident | 71.3 | Confident | 37 Ų | 37 | 78.8 Ų | 78.8 | 20% | 0.198 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -74.3 | -28 | 177.2 | -76.1 | -27.4 | 0 | 0 | 0 | 112.7 | L360 Q361 M374 | L360-N364 WeakPolarHBondContact O-CB 3.34Å; L360-N364 VanDerWaalsContact O-CG 3.27Å; L360-N364 PolarHBondContact O-N 2.82Å; L360-N364 PolarHBondContact O-ND2 2.86Å; Q361-N364 PolarHBondContact O-N 3.03Å; N364-M374 PolarHBondContact OD1-N 3.05Å |
| 365 | V | 66.6 | Low | 71.5 | Confident | 107 Ų | 107 | 75.8 Ų | 75.8 | 65% | 0.648 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -70.8 | -45.6 | 172 | 171 | 0 | 0 | 0 | 0 | 110.7 | Q361 I362 G367 S368 | Q361-V365 WeakPolarHBondContact O-CB 3.25Å; Q361-V365 WeakPolarHBondContact O-CG2 3.23Å; Q361-V365 PolarHBondContact O-N 3.46Å; I362-V365 PolarHBondContact O-N 2.88Å; V365-G367 VanDerWaalsContact C-N 3.34Å; V365-S368 PolarHBondContact O-OG 2.74Å |
| 366 | M | 57.1 | Low | 71.8 | Confident | 137 Ų | 137 | 74.1 Ų | 74.1 | 68% | 0.675 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.4 | -30.9 | 173.4 | -71.5 | -169.4 | -154.4 | 0 | 0 | 113.2 | I362 S368 | I362-M366 HydrophobicContact CG2-CE 3.79Å; I362-M366 PolarHBondContact O-N 3.03Å; M366-S368 PolarHBondContact O-N 2.7Å |
| 367 | G | 53.5 | Low | 72 | Confident | 20 Ų | 20 | 74 Ų | 74 | 21% | 0.206 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -70.4 | -10.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | M363 V365 V369 Y370 K371 | M363-G367 WeakPolarHBondContact O-CA 3.08Å; M363-G367 PolarHBondContact O-N 2.87Å; V365-G367 VanDerWaalsContact C-N 3.34Å; G367-V369 PolarHBondContact O-N 3.02Å; G367-Y370 PolarHBondContact O-N 3.38Å; G367-K371 PolarHBondContact O-N 2.96Å |
| 368 | S | 50.3 | Low | 72.2 | Confident | 100 Ų | 100 | 73.1 Ų | 73.1 | 70% | 0.699 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -60.3 | -14.1 | 173.5 | 66.5 | 0 | 0 | 0 | 0 | 113.8 | V365 M366 | V365-S368 PolarHBondContact O-OG 2.74Å; M366-S368 PolarHBondContact O-N 2.7Å |
| 369 | V | 48.6 | Very low | 72.5 | Confident | 109 Ų | 109 | 66.8 Ų | 66.8 | 66% | 0.661 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -87.2 | -23.5 | 174.7 | -176.5 | 0 | 0 | 0 | 0 | 113 | G367 | G367-V369 PolarHBondContact O-N 3.02Š|
| 370 | Y | 48.8 | Very low | 72.8 | Confident | 188 Ų | 188 | 65 Ų | 65 | 74% | 0.737 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | 12.8 | -170.1 | -70.3 | -77.9 | 0 | 0 | 0 | 116 | G367 T372 | G367-Y370 PolarHBondContact O-N 3.38Å; Y370-T372 VanDerWaalsContact C-N 3.27Å; Y370-T372 PolarHBondContact O-N 3.26Å; Y370-T372 VanDerWaalsContact O-N 3.1Å; Y370-T372 PolarHBondContact O-OG1 2.78Å |
| 371 | K | 51.3 | Low | 73 | Confident | 209 Ų | 209 | 70.4 Ų | 70.4 | 91% | 0.909 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 63.8 | 3 | 170.6 | -88.8 | -176.4 | 178.2 | 178.1 | 0 | 118.4 | G367 | G367-K371 PolarHBondContact O-N 2.96Š|
| 372 | T | 59.6 | Low | 73.1 | Confident | 93 Ų | 93 | 66.8 Ų | 66.8 | 57% | 0.571 | 35% | 0.347 | S | S | * | . | trans | -120.2 | 116.6 | 178.3 | 6.9 | 0 | 0 | 0 | 0 | 112 | Y370 | Y370-T372 VanDerWaalsContact C-N 3.27Å; Y370-T372 PolarHBondContact O-N 3.26Å; Y370-T372 VanDerWaalsContact O-N 3.1Å; Y370-T372 PolarHBondContact O-OG1 2.78Å | ||
| 373 | T | 72.4 | Confident | 73 | Confident | 88 Ų | 88 | 69 Ų | 69 | 54% | 0.54 | 36% | 0.358 | S | S | . | . | trans | -75.8 | 131.8 | 173.6 | -41.9 | 0 | 0 | 0 | 0 | 109.9 | T375 | T373-T375 HydrophobicContact CG2-CG2 4.44Š| ||
| 374 | M | 82.4 | Confident | 73 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 11% | 0.108 | 37% | 0.371 | C | S | . | . | trans | -84 | 119.9 | -179.6 | -178.7 | 60.3 | 173.6 | 0 | 0 | 109.6 | F323 N324 T325 L360 N364 P376 N435 | F323-M374 HydrophobicContact CB-CE 4.24Å; F323-M374 HydrophobicContact CD1-CE 4.03Å; N324-M374 VanDerWaalsContact O-CE 3.22Å; N324-M374 WeakPolarHBondContact O-CE 3.34Å; T325-M374 HydrophobicContact CG2-CE 4.49Å; L360-M374 HydrophobicContact CD2-CB 4.36Å; L360-M374 HydrophobicContact CD2-CG 3.81Å; N364-M374 PolarHBondContact OD1-N 3.05Å; M374-P376 HydrophobicContact CE-CB 4.01Å; M374-P376 HydrophobicContact CE-CG 4.48Å; M374-N435 VanDerWaalsContact SD-O 3.41Å | ||
| 375 | T | 88.1 | Confident | 72.8 | Confident | 24 Ų | 24 | 74.7 Ų | 74.7 | 15% | 0.147 | 39% | 0.394 | C | S | . | . | trans | -135.4 | 67.2 | -173.7 | 58 | 0 | 0 | 0 | 0 | 110.6 | T373 L417 V434 N435 | T373-T375 HydrophobicContact CG2-CG2 4.44Å; T375-L417 CarbonylContact C-O 3.3Å; T375-L417 VanDerWaalsContact C-O 3.3Å; T375-L417 WeakPolarHBondContact CA-O 3.31Å; T375-L417 VanDerWaalsContact CB-O 3.24Å; T375-L417 WeakPolarHBondContact CB-O 3.3Å; T375-V434 WeakPolarHBondContact O-CG1 3.34Å; T375-N435 CarbonylContact C-O 3.56Å; T375-N435 VanDerWaalsContact C-O 3.28Å; T375-N435 PolarHBondContact N-O 3.18Å | ||
| 376 | P | 91.6 | Very high | 72.7 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 40% | 0.4 | C | S | . | . | trans | -68.8 | 146.7 | -159.6 | 27.6 | -35.9 | 0 | 0 | 0 | 113.7 | F323 L360 M374 L417 G436 L438 | F323-P376 HydrophobicContact CD1-CG 4.49Å; F323-P376 HydrophobicContact CE1-CG 4.32Å; L360-P376 HydrophobicContact CD1-CG 4.22Å; L360-P376 HydrophobicContact CD2-CG 3.96Å; M374-P376 HydrophobicContact CE-CB 4.01Å; M374-P376 HydrophobicContact CE-CG 4.48Å; P376-L417 HydrophobicContact CG-CB 4.43Å; P376-L417 HydrophobicContact CG-CD1 4.47Å; P376-L417 PolarHBondContact O-N 3.4Å; P376-L417 VanDerWaalsContact O-N 3.07Å; P376-G436 CarbonylContact C-O 3.59Å; P376-G436 VanDerWaalsContact CA-O 3.31Å; P376-G436 WeakPolarHBondContact CA-O 3.34Å; P376-L438 HydrophobicContact CB-CB 4.46Å | ||
| 377 | W | 93.3 | Very high | 73.8 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 134.1 | 161.6 | -74.3 | 121.2 | 0 | 0 | 0 | 110.8 | E328 Y330 A333 L344 C414 Y416 Q428 N432 V434 G436 L438 | E328-W377 PolarHBondContact O-NE1 3.38Å; Y330-W377 AromaticContact CD2-CD2 3.84Å; Y330-W377 HydrophobicContact CD2-CD2 3.84Å; Y330-W377 AromaticContact CD2-CE3 3.61Å; Y330-W377 HydrophobicContact CD2-CE3 3.61Å; Y330-W377 HydrophobicContact CD2-CG 4.28Å; Y330-W377 HydrophobicContact CD2-CZ3 4.1Å; Y330-W377 HydrophobicContact CE2-CE3 4.37Å; A333-W377 HydrophobicContact CB-CG 4.41Å; L344-W377 HydrophobicContact CD2-CB 4.26Å; W377-C414 HydrophobicContact CE3-CB 4.41Å; W377-C414 HydrophobicContact CH2-CB 4.19Å; W377-C414 HydrophobicContact CZ3-CB 3.74Å; W377-Y416 HydrophobicContact CZ3-CD1 4.12Å; W377-Y416 HydrophobicContact CZ3-CG 4.41Å; W377-Q428 HydrophobicContact CH2-CB 4Å; W377-Q428 HydrophobicContact CH2-CG 4.23Å; W377-Q428 HydrophobicContact CZ3-CB 4.46Å; W377-N432 WeakPolarHBondContact CZ2-O 3.41Å; W377-V434 HydrophobicContact CD2-CB 4.11Å; W377-V434 HydrophobicContact CD2-CG2 4.3Å; W377-V434 HydrophobicContact CG-CB 4.46Å; W377-V434 HydrophobicContact CH2-CG2 3.68Å; W377-V434 HydrophobicContact CZ2-CB 3.76Å; W377-V434 HydrophobicContact CZ2-CG2 3.25Å; W377-V434 HydrophobicContact CZ3-CG2 4.36Å; W377-G436 PolarHBondContact N-O 3.05Å; W377-L438 PolarHBondContact O-N 2.85Å |
| 378 | V | 91.8 | Very high | 75.3 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 160.2 | 170.4 | -64.4 | 0 | 0 | 0 | 0 | 109.1 | Y330 L347 L380 W390 G415 L417 L425 | Y330-V378 WeakPolarHBondContact CE2-O 3.12Å; L347-V378 HydrophobicContact CD1-CG1 3.93Å; V378-L380 HydrophobicContact CG2-CB 4.06Å; V378-L380 PolarHBondContact O-N 2.99Å; V378-W390 HydrophobicContact CB-CZ3 4.27Å; V378-W390 HydrophobicContact CG2-CZ3 4.19Å; V378-G415 WeakPolarHBondContact CG2-O 3.44Å; V378-G415 PolarHBondContact N-O 3.43Å; V378-L417 HydrophobicContact CG1-CD1 3.68Å; V378-L417 HydrophobicContact CG1-CG 3.83Å; V378-L425 HydrophobicContact CG2-CD2 4.08Å |
| 379 | G | 90 | Very high | 77.1 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 39.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | L344 A345 W390 E391 | L344-G379 VanDerWaalsContact CB-CA 3.49Å; A345-G379 PolarHBondContact O-N 3.29Å; G379-W390 CarbonylContact O-C 3.6Å; G379-W390 VanDerWaalsContact O-C 3.28Å; G379-W390 WeakPolarHBondContact O-CA 3.47Å; G379-E391 PolarHBondContact O-N 3.47Å |
| 380 | L | 90.1 | Very high | 79.1 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 123.1 | -174.9 | -168.4 | 70 | 0 | 0 | 0 | 110.6 | V378 W388 W390 F396 W403 G415 L425 | V378-L380 HydrophobicContact CG2-CB 4.06Å; V378-L380 PolarHBondContact O-N 2.99Å; L380-W388 HydrophobicContact CD1-CB 4.42Å; L380-W388 HydrophobicContact CD2-CE3 4.26Å; L380-W388 HydrophobicContact CG-CE3 3.89Å; L380-W388 HydrophobicContact CG-CZ3 4.48Å; L380-W390 HydrophobicContact CB-CE3 4.06Å; L380-W390 HydrophobicContact CB-CH2 4.45Å; L380-W390 HydrophobicContact CB-CZ3 3.9Å; L380-W390 HydrophobicContact CD1-CD2 3.82Å; L380-W390 HydrophobicContact CD1-CE3 3.95Å; L380-W390 HydrophobicContact CD1-CG 4.35Å; L380-W390 HydrophobicContact CD1-CH2 4.21Å; L380-W390 HydrophobicContact CD1-CZ2 4.09Å; L380-W390 HydrophobicContact CD1-CZ3 4.15Å; L380-W390 HydrophobicContact CG-CZ3 4.5Å; L380-F396 HydrophobicContact CD1-CB 3.91Å; L380-F396 HydrophobicContact CD1-CD2 3.5Å; L380-F396 VanDerWaalsContact CD1-CD2 3.5Å; L380-F396 HydrophobicContact CD1-CE2 4.31Å; L380-F396 HydrophobicContact CD1-CG 3.9Å; L380-F396 HydrophobicContact CD2-CD2 3.89Å; L380-F396 HydrophobicContact CD2-CE2 3.94Å; L380-F396 HydrophobicContact CD2-CG 4.39Å; L380-F396 HydrophobicContact CG-CD2 4.38Å; L380-W403 HydrophobicContact CD2-CH2 3.59Å; L380-W403 HydrophobicContact CD2-CZ2 3.69Å; L380-W403 HydrophobicContact CD2-CZ3 4.5Å; L380-G415 PolarHBondContact O-N 2.86Å; L380-L425 HydrophobicContact CD2-CD1 4.4Å |
| 381 | R | 88.6 | Confident | 80.7 | Confident | 115 Ų | 115 | 57.4 Ų | 57.4 | 43% | 0.434 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 145.4 | -176.2 | -168.6 | 178.3 | -179.9 | 177.3 | 4.8 | 112.8 | W388 C389 F413 | R381-W388 VanDerWaalsContact C-CE3 3.4Å; R381-W388 WeakPolarHBondContact O-CA 3.4Å; R381-C389 PolarHBondContact N-O 3.05Å; R381-C389 PolarHBondContact O-N 2.87Å; R381-F413 WeakPolarHBondContact CA-O 3.11Å; R381-F413 WeakPolarHBondContact CG-O 3.37Å |
| 382 | K | 85.9 | Confident | 82 | Confident | 28 Ų | 28 | 51.6 Ų | 51.6 | 12% | 0.122 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 120 | 174.9 | -166.1 | 172.5 | -175.4 | 174.4 | 0 | 110.2 | N384 V385 W388 D410 F413 | K382-N384 WeakPolarHBondContact CE-O 3.43Å; K382-N384 VanDerWaalsContact CG-O 3.27Å; K382-N384 WeakPolarHBondContact CG-O 3.24Å; K382-V385 WeakPolarHBondContact CE-O 3.49Å; K382-V385 PolarHBondContact NZ-O 2.93Å; K382-W388 HydrophobicContact CB-CD2 4.04Å; K382-W388 HydrophobicContact CB-CE3 4.11Å; K382-W388 HydrophobicContact CB-CH2 4.1Å; K382-W388 HydrophobicContact CB-CZ2 4Å; K382-W388 HydrophobicContact CB-CZ3 4.16Å; K382-W388 HydrophobicContact CD-CZ2 4.1Å; K382-W388 HydrophobicContact CG-CD2 4.47Å; K382-W388 HydrophobicContact CG-CZ2 4.35Å; K382-D410 IonicContact NZ-OD1 2.74Å; K382-F413 PolarHBondContact N-O 3.09Å |
| 383 | I | 78.7 | Confident | 82.9 | Confident | 111 Ų | 111 | 54.8 Ų | 54.8 | 57% | 0.569 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -41.4 | 175.2 | -62.6 | 179.1 | 0 | 0 | 0 | 111 | Y387 C389 | I383-Y387 HydrophobicContact CB-CD1 4.22Å; I383-Y387 HydrophobicContact CD1-CD1 4.14Å; I383-Y387 HydrophobicContact CD1-CE1 4.15Å; I383-Y387 HydrophobicContact CG1-CD1 4.5Å; I383-Y387 PolarHBondContact N-O 3.26Å; I383-C389 HydrophobicContact CD1-CB 3.69Å; I383-C389 WeakPolarHBondContact CD1-SG 3.49Å; I383-C389 HydrophobicContact CG1-CB 4.29Å; I383-C389 WeakPolarHBondContact CG1-SG 3.34Å |
| 384 | N | 72.4 | Confident | 83.3 | Confident | 105 Ų | 105 | 52 Ų | 52 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 171.3 | -178.5 | -162 | -7.6 | 0 | 0 | 0 | 110 | K382 S386 Y387 | K382-N384 WeakPolarHBondContact CE-O 3.43Å; K382-N384 VanDerWaalsContact CG-O 3.27Å; K382-N384 WeakPolarHBondContact CG-O 3.24Å; N384-S386 PolarHBondContact O-N 3.41Å; N384-Y387 PolarHBondContact N-O 3.31Å; N384-Y387 PolarHBondContact O-N 2.94Å |
| 385 | V | 67.2 | Low | 83.3 | Confident | 112 Ų | 112 | 53.6 Ų | 53.6 | 68% | 0.679 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | -30 | -173.6 | -175.5 | 0 | 0 | 0 | 0 | 113.1 | K382 | K382-V385 WeakPolarHBondContact CE-O 3.49Å; K382-V385 PolarHBondContact NZ-O 2.93Å |
| 386 | S | 65.1 | Low | 83 | Confident | 111 Ų | 111 | 54 Ų | 54 | 78% | 0.776 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.7 | 8.5 | -180 | 47.6 | 0 | 0 | 0 | 0 | 115.7 | N384 | N384-S386 PolarHBondContact O-N 3.41Š|
| 387 | Y | 79.6 | Confident | 82 | Confident | 104 Ų | 104 | 59.7 Ų | 59.7 | 41% | 0.408 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 120.5 | -172.2 | -165.9 | -96.4 | 0 | 0 | 0 | 112.9 | I383 N384 C389 P395 | I383-Y387 HydrophobicContact CB-CD1 4.22Å; I383-Y387 HydrophobicContact CD1-CD1 4.14Å; I383-Y387 HydrophobicContact CD1-CE1 4.15Å; I383-Y387 HydrophobicContact CG1-CD1 4.5Å; I383-Y387 PolarHBondContact N-O 3.26Å; N384-Y387 PolarHBondContact N-O 3.31Å; N384-Y387 PolarHBondContact O-N 2.94Å; Y387-C389 HydrophobicContact CE1-CB 4.15Å; Y387-P395 HydrophobicContact CE2-CB 4.34Å; Y387-P395 WeakPolarHBondContact OH-CB 3.44Å |
| 388 | W | 86.3 | Confident | 80.4 | Confident | 17 Ų | 17 | 66.4 Ų | 66.4 | 6% | 0.064 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 136.1 | 175.1 | -71.2 | 84.3 | 0 | 0 | 0 | 110.2 | L380 R381 K382 F396 W403 P408 A427 | L380-W388 HydrophobicContact CD1-CB 4.42Å; L380-W388 HydrophobicContact CD2-CE3 4.26Å; L380-W388 HydrophobicContact CG-CE3 3.89Å; L380-W388 HydrophobicContact CG-CZ3 4.48Å; R381-W388 VanDerWaalsContact C-CE3 3.4Å; R381-W388 WeakPolarHBondContact O-CA 3.4Å; K382-W388 HydrophobicContact CB-CD2 4.04Å; K382-W388 HydrophobicContact CB-CE3 4.11Å; K382-W388 HydrophobicContact CB-CH2 4.1Å; K382-W388 HydrophobicContact CB-CZ2 4Å; K382-W388 HydrophobicContact CB-CZ3 4.16Å; K382-W388 HydrophobicContact CD-CZ2 4.1Å; K382-W388 HydrophobicContact CG-CD2 4.47Å; K382-W388 HydrophobicContact CG-CZ2 4.35Å; W388-F396 HydrophobicContact CB-CB 3.86Å; W388-F396 HydrophobicContact CB-CG 4.43Å; W388-F396 WeakPolarHBondContact O-CB 3.27Å; W388-F396 PolarHBondContact O-N 3.32Å; W388-W403 AromaticContact CD2-CH2 3.95Å; W388-W403 HydrophobicContact CD2-CH2 3.95Å; W388-W403 AromaticContact CD2-CZ2 3.65Å; W388-W403 HydrophobicContact CD2-CZ2 3.65Å; W388-W403 AromaticContact CE2-CH2 3.94Å; W388-W403 AromaticContact CE2-CZ2 3.74Å; W388-W403 AromaticContact CE3-CH2 3.93Å; W388-W403 HydrophobicContact CE3-CH2 3.93Å; W388-W403 HydrophobicContact CE3-CZ2 4.02Å; W388-W403 AromaticContact CG-CZ2 3.95Å; W388-W403 HydrophobicContact CG-CZ2 3.95Å; W388-W403 AromaticContact CH2-CH2 3.89Å; W388-W403 HydrophobicContact CH2-CH2 3.89Å; W388-W403 AromaticContact CZ2-CH2 3.93Å; W388-W403 HydrophobicContact CZ2-CH2 3.93Å; W388-W403 HydrophobicContact CZ2-CZ2 4.19Å; W388-W403 AromaticContact CZ3-CH2 3.88Å; W388-W403 HydrophobicContact CZ3-CH2 3.88Å; W388-W403 HydrophobicContact CZ3-CZ2 4.42Å; W388-P408 HydrophobicContact CZ2-CB 3.7Å; W388-P408 HydrophobicContact CZ2-CG 4.5Å; W388-A427 HydrophobicContact CH2-CB 3.62Å; W388-A427 HydrophobicContact CZ2-CB 3.78Å |
| 389 | C | 87.8 | Confident | 79.1 | Confident | 11 Ų | 11 | 67.6 Ų | 67.6 | 7% | 0.074 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 157.8 | 175.5 | 77.1 | 0 | 0 | 0 | 0 | 111.3 | R381 I383 Y387 S394 | R381-C389 PolarHBondContact N-O 3.05Å; R381-C389 PolarHBondContact O-N 2.87Å; I383-C389 HydrophobicContact CD1-CB 3.69Å; I383-C389 WeakPolarHBondContact CD1-SG 3.49Å; I383-C389 HydrophobicContact CG1-CB 4.29Å; I383-C389 WeakPolarHBondContact CG1-SG 3.34Å; Y387-C389 HydrophobicContact CE1-CB 4.15Å; C389-S394 VanDerWaalsContact CA-O 3.27Å; C389-S394 WeakPolarHBondContact CA-O 3.2Å; C389-S394 WeakPolarHBondContact CB-O 3.5Å |
| 390 | W | 89.4 | Confident | 78.4 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 0% | 0.004 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 168.1 | 166.4 | -61.9 | 102.3 | 0 | 0 | 0 | 111.1 | L347 T348 V378 G379 L380 D392 M393 S394 F396 T399 L401 | L347-W390 HydrophobicContact CB-CH2 3.75Å; L347-W390 HydrophobicContact CB-CZ2 4.25Å; L347-W390 HydrophobicContact CB-CZ3 4.15Å; L347-W390 HydrophobicContact CG-CH2 4.39Å; L347-W390 HydrophobicContact CG-CZ3 4.43Å; T348-W390 HydrophobicContact CG2-CG 4.12Å; V378-W390 HydrophobicContact CB-CZ3 4.27Å; V378-W390 HydrophobicContact CG2-CZ3 4.19Å; G379-W390 CarbonylContact O-C 3.6Å; G379-W390 VanDerWaalsContact O-C 3.28Å; G379-W390 WeakPolarHBondContact O-CA 3.47Å; L380-W390 HydrophobicContact CB-CE3 4.06Å; L380-W390 HydrophobicContact CB-CH2 4.45Å; L380-W390 HydrophobicContact CB-CZ3 3.9Å; L380-W390 HydrophobicContact CD1-CD2 3.82Å; L380-W390 HydrophobicContact CD1-CE3 3.95Å; L380-W390 HydrophobicContact CD1-CG 4.35Å; L380-W390 HydrophobicContact CD1-CH2 4.21Å; L380-W390 HydrophobicContact CD1-CZ2 4.09Å; L380-W390 HydrophobicContact CD1-CZ3 4.15Å; L380-W390 HydrophobicContact CG-CZ3 4.5Å; W390-D392 VanDerWaalsContact CB-OD1 3.26Å; W390-D392 WeakPolarHBondContact CB-OD1 3.43Å; W390-D392 PolarHBondContact O-N 2.81Å; W390-M393 WeakPolarHBondContact O-CA 3.18Å; W390-M393 PolarHBondContact O-N 2.88Å; W390-S394 VanDerWaalsContact CD1-OG 3.23Å; W390-S394 PolarHBondContact N-O 3.06Å; W390-F396 AromaticContact CE2-CD2 3.9Å; W390-F396 HydrophobicContact CH2-CD2 4.43Å; W390-F396 HydrophobicContact CH2-CE2 4.37Å; W390-F396 AromaticContact CZ2-CD2 3.6Å; W390-F396 HydrophobicContact CZ2-CD2 3.6Å; W390-F396 AromaticContact CZ2-CE2 3.77Å; W390-F396 HydrophobicContact CZ2-CE2 3.77Å; W390-F396 AromaticContact NE1-CD2 3.98Å; W390-T399 HydrophobicContact CZ2-CG2 3.67Å; W390-L401 HydrophobicContact CH2-CD1 4.5Å |
| 391 | E | 83.1 | Confident | 78.1 | Confident | 54 Ų | 54 | 70.7 Ų | 70.7 | 25% | 0.252 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.1 | 179.6 | -172.4 | 66.8 | -154.4 | 0 | 0 | 112 | K334 V343 G379 M393 | K334-E391 WeakPolarHBondContact CE-OE1 3.46Å; K334-E391 IonicContact NZ-OE1 3.78Å; K334-E391 PolarHBondContact NZ-OE1 3.14Å; K334-E391 IonicContact NZ-OE2 3.53Å; K334-E391 PolarHBondContact NZ-OE2 2.57Å; V343-E391 HydrophobicContact CB-CG 4.27Å; G379-E391 PolarHBondContact O-N 3.47Å; E391-M393 PolarHBondContact O-N 2.93Å |
| 392 | D | 77.7 | Confident | 78 | Confident | 88 Ų | 88 | 71.1 Ų | 71.1 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 8.4 | 169.9 | 71.2 | -0.2 | 0 | 0 | 0 | 114.1 | W390 S394 | W390-D392 VanDerWaalsContact CB-OD1 3.26Å; W390-D392 WeakPolarHBondContact CB-OD1 3.43Å; W390-D392 PolarHBondContact O-N 2.81Å; D392-S394 PolarHBondContact O-N 2.91Å; D392-S394 WeakPolarHBondContact OD1-CB 3.4Å; D392-S394 PolarHBondContact OD1-N 3.22Å; D392-S394 PolarHBondContact OD1-OG 2.88Å; D392-S394 PolarHBondContact OD2-OG 2.61Å |
| 393 | M | 78.8 | Confident | 78 | Confident | 159 Ų | 159 | 71.9 Ų | 71.9 | 78% | 0.783 | 39% | 0.387 | S | S | * | . | S | Bend | trans | 67.6 | 8.9 | -177.1 | -54.5 | 173.6 | 65.6 | 0 | 0 | 115.3 | W390 E391 | W390-M393 WeakPolarHBondContact O-CA 3.18Å; W390-M393 PolarHBondContact O-N 2.88Å; E391-M393 PolarHBondContact O-N 2.93Å |
| 394 | S | 81.8 | Confident | 78.4 | Confident | 31 Ų | 31 | 67.6 Ų | 67.6 | 22% | 0.217 | 37% | 0.365 | C | S | . | . | trans | -74.7 | 145.9 | 175.6 | 66.9 | 0 | 0 | 0 | 0 | 112.6 | T348 C389 W390 D392 | T348-S394 WeakPolarHBondContact CG2-OG 3.43Å; C389-S394 VanDerWaalsContact CA-O 3.27Å; C389-S394 WeakPolarHBondContact CA-O 3.2Å; C389-S394 WeakPolarHBondContact CB-O 3.5Å; W390-S394 VanDerWaalsContact CD1-OG 3.23Å; W390-S394 PolarHBondContact N-O 3.06Å; D392-S394 PolarHBondContact O-N 2.91Å; D392-S394 WeakPolarHBondContact OD1-CB 3.4Å; D392-S394 PolarHBondContact OD1-N 3.22Å; D392-S394 PolarHBondContact OD1-OG 2.88Å; D392-S394 PolarHBondContact OD2-OG 2.61Å | ||
| 395 | P | 82 | Confident | 78.9 | Confident | 54 Ų | 54 | 68.5 Ų | 68.5 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | B | Isolated β-bridge | trans | -68.8 | 140.8 | -179.6 | 23.6 | -31.4 | 0 | 0 | 0 | 113.1 | Y387 T397 | Y387-P395 HydrophobicContact CE2-CB 4.34Å; Y387-P395 WeakPolarHBondContact OH-CB 3.44Å; P395-T397 HydrophobicContact CB-CG2 4.42Å; P395-T397 PolarHBondContact O-N 2.79Å |
| 396 | F | 82.3 | Confident | 79.5 | Confident | 33 Ų | 33 | 67 Ų | 67 | 15% | 0.145 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 63.3 | 168 | -171.7 | -100 | 0 | 0 | 0 | 111.5 | L380 W388 W390 T399 W403 L425 | L380-F396 HydrophobicContact CD1-CB 3.91Å; L380-F396 HydrophobicContact CD1-CD2 3.5Å; L380-F396 VanDerWaalsContact CD1-CD2 3.5Å; L380-F396 HydrophobicContact CD1-CE2 4.31Å; L380-F396 HydrophobicContact CD1-CG 3.9Å; L380-F396 HydrophobicContact CD2-CD2 3.89Å; L380-F396 HydrophobicContact CD2-CE2 3.94Å; L380-F396 HydrophobicContact CD2-CG 4.39Å; L380-F396 HydrophobicContact CG-CD2 4.38Å; W388-F396 HydrophobicContact CB-CB 3.86Å; W388-F396 HydrophobicContact CB-CG 4.43Å; W388-F396 WeakPolarHBondContact O-CB 3.27Å; W388-F396 PolarHBondContact O-N 3.32Å; W390-F396 AromaticContact CE2-CD2 3.9Å; W390-F396 HydrophobicContact CH2-CD2 4.43Å; W390-F396 HydrophobicContact CH2-CE2 4.37Å; W390-F396 AromaticContact CZ2-CD2 3.6Å; W390-F396 HydrophobicContact CZ2-CD2 3.6Å; W390-F396 AromaticContact CZ2-CE2 3.77Å; W390-F396 HydrophobicContact CZ2-CE2 3.77Å; W390-F396 AromaticContact NE1-CD2 3.98Å; F396-T399 HydrophobicContact CD2-CG2 4.43Å; F396-T399 WeakPolarHBondContact CD2-OG1 3.43Å; F396-T399 WeakPolarHBondContact CE2-OG1 3.18Å; F396-W403 HydrophobicContact CD1-CZ2 4.45Å; F396-W403 AromaticContact CD1-NE1 3.63Å; F396-W403 AromaticContact CE1-CD1 3.65Å; F396-W403 AromaticContact CE1-CE2 3.76Å; F396-W403 HydrophobicContact CE1-CG 4.48Å; F396-W403 HydrophobicContact CE1-CZ2 4.28Å; F396-W403 AromaticContact CE1-NE1 3.13Å; F396-L425 HydrophobicContact CE2-CD1 3.6Å; F396-L425 HydrophobicContact CZ-CD1 3.52Å |
| 397 | T | 70.3 | Confident | 80.2 | Confident | 119 Ų | 119 | 64 Ų | 64 | 73% | 0.73 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.4 | -21.7 | 175.8 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | P395 | P395-T397 HydrophobicContact CB-CG2 4.42Å; P395-T397 PolarHBondContact O-N 2.79Å |
| 398 | N | 58.9 | Low | 80.1 | Confident | 142 Ų | 142 | 61.4 Ų | 61.4 | 76% | 0.759 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -113.9 | 39.4 | -174.5 | -161.5 | 11.4 | 0 | 0 | 0 | 111.8 | ||
| 399 | T | 65.3 | Low | 79.5 | Confident | 24 Ų | 24 | 62.3 Ų | 62.3 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | trans | -121.6 | 148.6 | -177.7 | 59.8 | 0 | 0 | 0 | 0 | 111.2 | W390 F396 L401 | W390-T399 HydrophobicContact CZ2-CG2 3.67Å; F396-T399 HydrophobicContact CD2-CG2 4.43Å; F396-T399 WeakPolarHBondContact CD2-OG1 3.43Å; F396-T399 WeakPolarHBondContact CE2-OG1 3.18Å; T399-L401 VanDerWaalsContact C-N 3.3Å | ||
| 400 | T | 75.8 | Confident | 78.6 | Confident | 60 Ų | 60 | 68.4 Ų | 68.4 | 37% | 0.368 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -87.2 | -3.6 | -178.5 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | Q350 V353 | Q350-T400 PolarHBondContact OE1-OG1 3.14Å; V353-T400 WeakPolarHBondContact CG2-OG1 3.44Å |
| 401 | L | 82.9 | Confident | 77.4 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 3% | 0.026 | 42% | 0.423 | C | S | . | . | trans | -83.5 | 143.4 | 166.4 | -67.3 | 170.9 | 0 | 0 | 0 | 111.2 | L347 V353 L357 W390 T399 L417 S422 L425 | L347-L401 HydrophobicContact CB-CD1 3.92Å; L347-L401 HydrophobicContact CD1-CD1 3.52Å; L347-L401 HydrophobicContact CG-CD1 4.36Å; V353-L401 HydrophobicContact CG1-CD2 3.72Å; V353-L401 HydrophobicContact CG1-CG 3.91Å; V353-L401 HydrophobicContact CG2-CD1 4.17Å; V353-L401 HydrophobicContact CG2-CG 3.92Å; L357-L401 HydrophobicContact CD2-CD2 4.43Å; W390-L401 HydrophobicContact CH2-CD1 4.5Å; T399-L401 VanDerWaalsContact C-N 3.3Å; L401-L417 HydrophobicContact CD1-CD2 4.08Å; L401-L417 HydrophobicContact CD2-CD2 4.14Å; L401-S422 CarbonylContact C-O 3.54Å; L401-S422 VanDerWaalsContact CA-O 3.31Å; L401-S422 WeakPolarHBondContact CA-O 3.44Å; L401-L425 HydrophobicContact CB-CD1 3.51Å; L401-L425 HydrophobicContact CB-CG 4.21Å; L401-L425 HydrophobicContact CD1-CD1 4.19Å; L401-L425 HydrophobicContact CD1-CG 4.48Å; L401-L425 HydrophobicContact CG-CD1 4.44Å | ||
| 402 | Q | 86.1 | Confident | 77 | Confident | 125 Ų | 125 | 69.3 Ų | 69.3 | 58% | 0.584 | 41% | 0.411 | S | S | * | . | trans | -124.9 | 149.9 | 179.2 | -62.7 | 179.9 | -12.5 | 0 | 0 | 110.3 | S422 S423 G424 L425 | Q402-S422 PolarHBondContact N-O 2.97Å; Q402-S423 CarbonylContact O-C 3.57Å; Q402-S423 WeakPolarHBondContact O-CA 3.49Å; Q402-G424 PolarHBondContact O-N 3.45Å; Q402-L425 PolarHBondContact O-N 2.01Å | ||
| 403 | W | 86.8 | Confident | 77.3 | Confident | 44 Ų | 44 | 70.3 Ų | 70.3 | 17% | 0.167 | 41% | 0.412 | C | S | . | . | B | Isolated β-bridge | trans | -64.5 | 147.6 | 169.8 | -64.1 | 108.4 | 0 | 0 | 0 | 110.8 | L380 W388 F396 E407 P408 L425 A427 | L380-W403 HydrophobicContact CD2-CH2 3.59Å; L380-W403 HydrophobicContact CD2-CZ2 3.69Å; L380-W403 HydrophobicContact CD2-CZ3 4.5Å; W388-W403 AromaticContact CD2-CH2 3.95Å; W388-W403 HydrophobicContact CD2-CH2 3.95Å; W388-W403 AromaticContact CD2-CZ2 3.65Å; W388-W403 HydrophobicContact CD2-CZ2 3.65Å; W388-W403 AromaticContact CE2-CH2 3.94Å; W388-W403 AromaticContact CE2-CZ2 3.74Å; W388-W403 AromaticContact CE3-CH2 3.93Å; W388-W403 HydrophobicContact CE3-CH2 3.93Å; W388-W403 HydrophobicContact CE3-CZ2 4.02Å; W388-W403 AromaticContact CG-CZ2 3.95Å; W388-W403 HydrophobicContact CG-CZ2 3.95Å; W388-W403 AromaticContact CH2-CH2 3.89Å; W388-W403 HydrophobicContact CH2-CH2 3.89Å; W388-W403 AromaticContact CZ2-CH2 3.93Å; W388-W403 HydrophobicContact CZ2-CH2 3.93Å; W388-W403 HydrophobicContact CZ2-CZ2 4.19Å; W388-W403 AromaticContact CZ3-CH2 3.88Å; W388-W403 HydrophobicContact CZ3-CH2 3.88Å; W388-W403 HydrophobicContact CZ3-CZ2 4.42Å; F396-W403 HydrophobicContact CD1-CZ2 4.45Å; F396-W403 AromaticContact CD1-NE1 3.63Å; F396-W403 AromaticContact CE1-CD1 3.65Å; F396-W403 AromaticContact CE1-CE2 3.76Å; F396-W403 HydrophobicContact CE1-CG 4.48Å; F396-W403 HydrophobicContact CE1-CZ2 4.28Å; F396-W403 AromaticContact CE1-NE1 3.13Å; W403-E407 HydrophobicContact CB-CB 4.18Å; W403-E407 WeakPolarHBondContact CB-O 3.01Å; W403-E407 HydrophobicContact CE3-CB 4.22Å; W403-P408 HydrophobicContact CD2-CB 4.1Å; W403-P408 HydrophobicContact CD2-CG 4.34Å; W403-P408 HydrophobicContact CE3-CB 4.17Å; W403-P408 HydrophobicContact CH2-CB 4.15Å; W403-P408 HydrophobicContact CZ2-CB 4.06Å; W403-P408 HydrophobicContact CZ2-CG 4.38Å; W403-P408 HydrophobicContact CZ3-CB 4.21Å; W403-L425 HydrophobicContact CD2-CB 4.33Å; W403-L425 HydrophobicContact CE3-CB 3.76Å; W403-L425 HydrophobicContact CZ3-CB 4.09Å; W403-A427 HydrophobicContact CH2-CB 4.36Å; W403-A427 HydrophobicContact CZ3-CB 4.06Å |
| 404 | L | 86.7 | Confident | 77.9 | Confident | 20 Ų | 20 | 62.8 Ų | 62.8 | 11% | 0.105 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 153.3 | 167.8 | -84.3 | 168 | 0 | 0 | 0 | 111 | G406 E407 A418 S423 L425 K426 | L404-G406 PolarHBondContact O-N 3.36Å; L404-E407 HydrophobicContact CB-CG 4.39Å; L404-E407 WeakPolarHBondContact O-CB 3.31Å; L404-E407 PolarHBondContact O-N 3.42Å; L404-A418 HydrophobicContact CD1-CB 4.38Å; L404-S423 WeakPolarHBondContact CD2-O 3.2Å; L404-S423 WeakPolarHBondContact CG-O 3.5Å; L404-L425 PolarHBondContact N-O 2.84Å; L404-K426 HydrophobicContact CD1-CD 4.07Å; L404-K426 HydrophobicContact CD1-CG 3.68Å |
| 405 | P | 83.4 | Confident | 78.3 | Confident | 125 Ų | 125 | 61.3 Ų | 61.3 | 81% | 0.812 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 123.4 | 175.8 | -24.6 | 33.7 | 0 | 0 | 0 | 111.5 | ||
| 406 | G | 78.7 | Confident | 78.7 | Confident | 79 Ų | 79 | 60.3 Ų | 60.3 | 81% | 0.814 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | 0.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L404 | L404-G406 PolarHBondContact O-N 3.36Š|
| 407 | E | 81.6 | Confident | 79.1 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 23% | 0.229 | 35% | 0.347 | C | S | . | . | trans | -109.2 | 157.9 | 171.9 | -67.6 | -79.8 | 174.3 | 0 | 0 | 110.2 | W403 L404 S409 K426 A427 | W403-E407 HydrophobicContact CB-CB 4.18Å; W403-E407 WeakPolarHBondContact CB-O 3.01Å; W403-E407 HydrophobicContact CE3-CB 4.22Å; L404-E407 HydrophobicContact CB-CG 4.39Å; L404-E407 WeakPolarHBondContact O-CB 3.31Å; L404-E407 PolarHBondContact O-N 3.42Å; E407-S409 PolarHBondContact OE2-N 3.17Å; E407-S409 PolarHBondContact OE2-OG 3.19Å; E407-K426 HydrophobicContact CG-CB 4.47Å; E407-K426 HydrophobicContact CG-CG 4.11Å; E407-A427 PolarHBondContact OE2-N 3Å; E407-A427 VanDerWaalsContact OE2-N 3.15Å | ||
| 408 | P | 76.5 | Confident | 79.8 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 32% | 0.318 | 32% | 0.322 | S | S | . | . | S | Bend | cis | -75.1 | 135 | 2 | 30 | -32.7 | 0 | 0 | 0 | 112.3 | W388 W403 A427 | W388-P408 HydrophobicContact CZ2-CB 3.7Å; W388-P408 HydrophobicContact CZ2-CG 4.5Å; W403-P408 HydrophobicContact CD2-CB 4.1Å; W403-P408 HydrophobicContact CD2-CG 4.34Å; W403-P408 HydrophobicContact CE3-CB 4.17Å; W403-P408 HydrophobicContact CH2-CB 4.15Å; W403-P408 HydrophobicContact CZ2-CB 4.06Å; W403-P408 HydrophobicContact CZ2-CG 4.38Å; W403-P408 HydrophobicContact CZ3-CB 4.21Å; P408-A427 HydrophobicContact CB-CB 3.94Å |
| 409 | S | 74 | Confident | 80.8 | Confident | 37 Ų | 37 | 52.1 Ų | 52.1 | 26% | 0.259 | 31% | 0.307 | S | S | . | . | trans | -66.4 | 144 | 172 | 59.5 | 0 | 0 | 0 | 0 | 111.9 | E407 A411 G412 | E407-S409 PolarHBondContact OE2-N 3.17Å; E407-S409 PolarHBondContact OE2-OG 3.19Å; S409-A411 PolarHBondContact O-N 2.85Å; S409-A411 VanDerWaalsContact O-N 3.15Å; S409-G412 PolarHBondContact O-N 2.94Å; S409-G412 VanDerWaalsContact O-N 3.11Å | ||
| 410 | D | 69.2 | Low | 81.5 | Confident | 139 Ų | 139 | 52.9 Ų | 52.9 | 74% | 0.743 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.9 | 177.8 | -78.1 | -36.9 | 0 | 0 | 0 | 113.7 | K382 | K382-D410 IonicContact NZ-OD1 2.74Š|
| 411 | A | 64.6 | Low | 81.7 | Confident | 73 Ų | 73 | 51.7 Ų | 51.7 | 60% | 0.603 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -15.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S409 | S409-A411 PolarHBondContact O-N 2.85Å; S409-A411 VanDerWaalsContact O-N 3.15Å |
| 412 | G | 73.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -94.4 | 129.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S409 Q428 | S409-G412 PolarHBondContact O-N 2.94Å; S409-G412 VanDerWaalsContact O-N 3.11Å; G412-Q428 WeakPolarHBondContact CA-O 3.45Å | ||
| 413 | F | 85.6 | Confident | 81.2 | Confident | 110 Ų | 110 | 50.5 Ų | 50.5 | 48% | 0.482 | 32% | 0.315 | S | S | . | . | trans | -109.3 | -15.9 | 177.7 | -65.7 | -83.3 | 0 | 0 | 0 | 113.1 | R381 K382 Q428 C430 | R381-F413 WeakPolarHBondContact CA-O 3.11Å; R381-F413 WeakPolarHBondContact CG-O 3.37Å; K382-F413 PolarHBondContact N-O 3.09Å; F413-Q428 PolarHBondContact N-O 2.83Å; F413-C430 VanDerWaalsContact CB-SG 3.54Å | ||
| 414 | C | 89.5 | Confident | 81 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 142 | -177.3 | -71.2 | 0 | 0 | 0 | 0 | 110.9 | Y330 W377 A427 Q428 C430 | Y330-C414 WeakPolarHBondContact CD1-SG 3.47Å; Y330-C414 HydrophobicContact CD2-CB 3.5Å; Y330-C414 VanDerWaalsContact CD2-SG 3.56Å; Y330-C414 HydrophobicContact CE2-CB 3.89Å; Y330-C414 HydrophobicContact CG-CB 3.85Å; W377-C414 HydrophobicContact CE3-CB 4.41Å; W377-C414 HydrophobicContact CH2-CB 4.19Å; W377-C414 HydrophobicContact CZ3-CB 3.74Å; C414-A427 WeakPolarHBondContact O-CA 3.36Å; C414-Q428 PolarHBondContact N-O 2.8Å; C414-Q428 VanDerWaalsContact N-O 3.07Å; C414-Q428 PolarHBondContact O-N 3.05Å; C414-C430 HydrophobicContact CB-CB 4.04Å; C414-C430 WeakPolarHBondContact CB-SG 3.27Å; C414-C430 WeakPolarHBondContact SG-CB 3.37Å; C414-C430 CovalentContact SG-SG 2.04Å; C414-C430 PolarHBondContact SG-SG 2.86Å |
| 415 | G | 90.3 | Very high | 81.1 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 141.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V378 L380 K426 | V378-G415 WeakPolarHBondContact CG2-O 3.44Å; V378-G415 PolarHBondContact N-O 3.43Å; L380-G415 PolarHBondContact O-N 2.86Å; G415-K426 WeakPolarHBondContact CA-O 3.46Å |
| 416 | Y | 91.3 | Very high | 81.5 | Confident | 33 Ų | 33 | 45 Ų | 45 | 13% | 0.129 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 158.9 | 174.4 | 71.4 | -74.7 | 0 | 0 | 0 | 111.3 | W377 A418 K426 Q428 V434 | W377-Y416 HydrophobicContact CZ3-CD1 4.12Å; W377-Y416 HydrophobicContact CZ3-CG 4.41Å; Y416-A418 HydrophobicContact CD2-CB 4.39Å; Y416-A418 HydrophobicContact CE2-CB 3.77Å; Y416-A418 PolarHBondContact O-N 2.81Å; Y416-K426 HydrophobicContact CD1-CB 4.25Å; Y416-K426 VanDerWaalsContact CD1-O 3.31Å; Y416-K426 WeakPolarHBondContact CD1-O 3.04Å; Y416-K426 HydrophobicContact CE1-CB 3.52Å; Y416-K426 PolarHBondContact N-O 3.31Å; Y416-K426 PolarHBondContact O-N 2.82Å; Y416-K426 VanDerWaalsContact O-N 3.1Å; Y416-Q428 HydrophobicContact CD1-CB 3.99Å; Y416-Q428 HydrophobicContact CE1-CB 3.71Å; Y416-V434 HydrophobicContact CD2-CG1 3.85Å; Y416-V434 HydrophobicContact CG-CG1 4.11Å; Y416-V434 HydrophobicContact CG-CG2 4.44Å |
| 417 | L | 89.9 | Confident | 82 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 106.4 | 176.2 | -73.8 | 168.3 | 0 | 0 | 0 | 109.7 | L347 V356 L360 T375 P376 V378 L401 L425 | L347-L417 HydrophobicContact CD1-CD1 4.05Å; V356-L417 HydrophobicContact CG1-CD1 3.65Å; L360-L417 HydrophobicContact CD1-CB 4.35Å; L360-L417 HydrophobicContact CD1-CD1 3.92Å; T375-L417 CarbonylContact C-O 3.3Å; T375-L417 VanDerWaalsContact C-O 3.3Å; T375-L417 WeakPolarHBondContact CA-O 3.31Å; T375-L417 VanDerWaalsContact CB-O 3.24Å; T375-L417 WeakPolarHBondContact CB-O 3.3Å; P376-L417 HydrophobicContact CG-CB 4.43Å; P376-L417 HydrophobicContact CG-CD1 4.47Å; P376-L417 PolarHBondContact O-N 3.4Å; P376-L417 VanDerWaalsContact O-N 3.07Å; V378-L417 HydrophobicContact CG1-CD1 3.68Å; V378-L417 HydrophobicContact CG1-CG 3.83Å; L401-L417 HydrophobicContact CD1-CD2 4.08Å; L401-L417 HydrophobicContact CD2-CD2 4.14Å; L417-L425 HydrophobicContact CD2-CD2 3.68Å; L417-L425 HydrophobicContact CD2-CG 4.12Å; L417-L425 HydrophobicContact CG-CD2 4.17Å |
| 418 | A | 85 | Confident | 82.2 | Confident | 26 Ų | 26 | 42.1 Ų | 42.1 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | trans | -86.8 | -31.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L404 Y416 G424 K426 | L404-A418 HydrophobicContact CD1-CB 4.38Å; Y416-A418 HydrophobicContact CD2-CB 4.39Å; Y416-A418 HydrophobicContact CE2-CB 3.77Å; Y416-A418 PolarHBondContact O-N 2.81Å; A418-G424 PolarHBondContact N-O 2.84Å; A418-K426 HydrophobicContact CB-CB 4.32Å; A418-K426 HydrophobicContact CB-CD 4.04Å; A418-K426 HydrophobicContact CB-CG 3.8Å | ||
| 419 | E | 81.8 | Confident | 82.8 | Confident | 94 Ų | 94 | 41.2 Ų | 41.2 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -129.6 | 147 | 179.4 | -65.7 | -177.3 | -175 | 0 | 0 | 111.2 | A421 G424 | E419-A421 PolarHBondContact O-N 3.29Å; E419-G424 PolarHBondContact N-O 3.04Å |
| 420 | P | 79.1 | Confident | 83.3 | Confident | 40 Ų | 40 | 40.1 Ų | 40.1 | 26% | 0.26 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -81.4 | 52.1 | 177.6 | 37.6 | -37.4 | 0 | 0 | 0 | 111.1 | L360 Q361 | L360-P420 HydrophobicContact CB-CB 4.03Å; Q361-P420 HydrophobicContact CG-CB 3.75Å; Q361-P420 HydrophobicContact CG-CG 4.18Å; Q361-P420 PolarHBondContact NE2-O 2.72Å; Q361-P420 VanDerWaalsContact NE2-O 3.08Å |
| 421 | A | 80.9 | Confident | 84.1 | Confident | 35 Ų | 35 | 39.5 Ų | 39.5 | 29% | 0.289 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -136.2 | 160.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | E419 S423 G424 | E419-A421 PolarHBondContact O-N 3.29Å; A421-S423 PolarHBondContact O-N 3.23Å; A421-G424 PolarHBondContact O-N 3.45Å |
| 422 | S | 79.1 | Confident | 85.2 | Confident | 61 Ų | 61 | 39.1 Ų | 39.1 | 43% | 0.427 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -33.5 | 177.4 | 51.3 | 0 | 0 | 0 | 0 | 112.2 | L401 Q402 G424 | L401-S422 CarbonylContact C-O 3.54Å; L401-S422 VanDerWaalsContact CA-O 3.31Å; L401-S422 WeakPolarHBondContact CA-O 3.44Å; Q402-S422 PolarHBondContact N-O 2.97Å; S422-G424 VanDerWaalsContact C-N 3.32Å; S422-G424 PolarHBondContact O-N 3.32Å |
| 423 | S | 78.3 | Confident | 85.9 | Confident | 44 Ų | 44 | 43.3 Ų | 43.3 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 39.8 | 175.1 | 60.5 | 0 | 0 | 0 | 0 | 113.3 | Q402 L404 A421 | Q402-S423 CarbonylContact O-C 3.57Å; Q402-S423 WeakPolarHBondContact O-CA 3.49Å; L404-S423 WeakPolarHBondContact CD2-O 3.2Å; L404-S423 WeakPolarHBondContact CG-O 3.5Å; A421-S423 PolarHBondContact O-N 3.23Å |
| 424 | G | 83.7 | Confident | 86 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -106.7 | 8.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | Q402 A418 E419 A421 S422 | Q402-G424 PolarHBondContact O-N 3.45Å; A418-G424 PolarHBondContact N-O 2.84Å; E419-G424 PolarHBondContact N-O 3.04Å; A421-G424 PolarHBondContact O-N 3.45Å; S422-G424 VanDerWaalsContact C-N 3.32Å; S422-G424 PolarHBondContact O-N 3.32Å | ||
| 425 | L | 88.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 137.6 | -176.6 | -75.9 | 169.3 | 0 | 0 | 0 | 112.7 | V378 L380 F396 L401 Q402 W403 L404 L417 | V378-L425 HydrophobicContact CG2-CD2 4.08Å; L380-L425 HydrophobicContact CD2-CD1 4.4Å; F396-L425 HydrophobicContact CE2-CD1 3.6Å; F396-L425 HydrophobicContact CZ-CD1 3.52Å; L401-L425 HydrophobicContact CB-CD1 3.51Å; L401-L425 HydrophobicContact CB-CG 4.21Å; L401-L425 HydrophobicContact CD1-CD1 4.19Å; L401-L425 HydrophobicContact CD1-CG 4.48Å; L401-L425 HydrophobicContact CG-CD1 4.44Å; Q402-L425 PolarHBondContact O-N 2.01Å; W403-L425 HydrophobicContact CD2-CB 4.33Å; W403-L425 HydrophobicContact CE3-CB 3.76Å; W403-L425 HydrophobicContact CZ3-CB 4.09Å; L404-L425 PolarHBondContact N-O 2.84Å; L417-L425 HydrophobicContact CD2-CD2 3.68Å; L417-L425 HydrophobicContact CD2-CG 4.12Å; L417-L425 HydrophobicContact CG-CD2 4.17Å |
| 426 | K | 90.5 | Very high | 85.8 | Confident | 73 Ų | 73 | 41.2 Ų | 41.2 | 32% | 0.317 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 151.4 | 171.2 | -69.5 | -157.6 | 171.4 | -175.9 | 0 | 112.4 | L404 E407 G415 Y416 A418 | L404-K426 HydrophobicContact CD1-CD 4.07Å; L404-K426 HydrophobicContact CD1-CG 3.68Å; E407-K426 HydrophobicContact CG-CB 4.47Å; E407-K426 HydrophobicContact CG-CG 4.11Å; G415-K426 WeakPolarHBondContact CA-O 3.46Å; Y416-K426 HydrophobicContact CD1-CB 4.25Å; Y416-K426 VanDerWaalsContact CD1-O 3.31Å; Y416-K426 WeakPolarHBondContact CD1-O 3.04Å; Y416-K426 HydrophobicContact CE1-CB 3.52Å; Y416-K426 PolarHBondContact N-O 3.31Å; Y416-K426 PolarHBondContact O-N 2.82Å; Y416-K426 VanDerWaalsContact O-N 3.1Å; A418-K426 HydrophobicContact CB-CB 4.32Å; A418-K426 HydrophobicContact CB-CD 4.04Å; A418-K426 HydrophobicContact CB-CG 3.8Å |
| 427 | A | 88.8 | Confident | 85.8 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.033 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 141.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | W388 W403 E407 P408 C414 | W388-A427 HydrophobicContact CH2-CB 3.62Å; W388-A427 HydrophobicContact CZ2-CB 3.78Å; W403-A427 HydrophobicContact CH2-CB 4.36Å; W403-A427 HydrophobicContact CZ3-CB 4.06Å; E407-A427 PolarHBondContact OE2-N 3Å; E407-A427 VanDerWaalsContact OE2-N 3.15Å; P408-A427 HydrophobicContact CB-CB 3.94Å; C414-A427 WeakPolarHBondContact O-CA 3.36Å |
| 428 | Q | 87.4 | Confident | 86 | Confident | 64 Ų | 64 | 39.6 Ų | 39.6 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 158.9 | 178.2 | -177.4 | 61.9 | -86.6 | 0 | 0 | 110.2 | W377 G412 F413 C414 Y416 C430 N432 | W377-Q428 HydrophobicContact CH2-CB 4Å; W377-Q428 HydrophobicContact CH2-CG 4.23Å; W377-Q428 HydrophobicContact CZ3-CB 4.46Å; G412-Q428 WeakPolarHBondContact CA-O 3.45Å; F413-Q428 PolarHBondContact N-O 2.83Å; C414-Q428 PolarHBondContact N-O 2.8Å; C414-Q428 VanDerWaalsContact N-O 3.07Å; C414-Q428 PolarHBondContact O-N 3.05Å; Y416-Q428 HydrophobicContact CD1-CB 3.99Å; Y416-Q428 HydrophobicContact CE1-CB 3.71Å; Q428-C430 PolarHBondContact O-N 3.04Å; Q428-N432 HydrophobicContact CG-CB 3.93Å; Q428-N432 PolarHBondContact OE1-ND2 3.22Å |
| 429 | S | 87.6 | Confident | 86.4 | Confident | 30 Ų | 30 | 38.5 Ų | 38.5 | 21% | 0.21 | 22% | 0.221 | C | C | . | . | trans | -62.6 | 131.7 | 170.6 | -170.9 | 0 | 0 | 0 | 0 | 110.3 | I431 N432 | S429-I431 PolarHBondContact O-N 2.8Å; S429-I431 WeakPolarHBondContact OG-CG1 3.11Å; S429-N432 PolarHBondContact O-N 2.95Å | ||
| 430 | C | 86 | Confident | 86.8 | Confident | 14 Ų | 14 | 35 Ų | 35 | 10% | 0.095 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.4 | -174.4 | -54 | 0 | 0 | 0 | 0 | 113.6 | Y330 F413 C414 Q428 | Y330-C430 WeakPolarHBondContact CB-O 3.32Å; Y330-C430 HydrophobicContact CG-CB 4.5Å; Y330-C430 PolarHBondContact N-O 3.35Å; F413-C430 VanDerWaalsContact CB-SG 3.54Å; C414-C430 HydrophobicContact CB-CB 4.04Å; C414-C430 WeakPolarHBondContact CB-SG 3.27Å; C414-C430 WeakPolarHBondContact SG-CB 3.37Å; C414-C430 CovalentContact SG-SG 2.04Å; C414-C430 PolarHBondContact SG-SG 2.86Å; Q428-C430 PolarHBondContact O-N 3.04Å |
| 431 | I | 85.6 | Confident | 87.3 | Confident | 127 Ų | 127 | 35.9 Ų | 35.9 | 65% | 0.651 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -19.9 | 178.3 | 63.2 | 175.6 | 0 | 0 | 0 | 113.5 | S429 | S429-I431 PolarHBondContact O-N 2.8Å; S429-I431 WeakPolarHBondContact OG-CG1 3.11Å |
| 432 | N | 87.6 | Confident | 87.3 | Confident | 64 Ų | 64 | 39.4 Ų | 39.4 | 34% | 0.342 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -76.1 | 140.7 | -177.5 | -72.6 | -18.7 | 0 | 0 | 0 | 110 | W377 Q428 S429 | W377-N432 WeakPolarHBondContact CZ2-O 3.41Å; Q428-N432 HydrophobicContact CG-CB 3.93Å; Q428-N432 PolarHBondContact OE1-ND2 3.22Å; S429-N432 PolarHBondContact O-N 2.95Å |
| 433 | P | 86.9 | Confident | 86.9 | Confident | 89 Ų | 89 | 37.1 Ų | 37.1 | 58% | 0.578 | 21% | 0.207 | S | C | * | . | trans | -73.5 | 139 | 177.6 | 29.8 | -33.6 | 0 | 0 | 0 | 111 | E328 | E328-P433 WeakPolarHBondContact O-CA 3.29Š| ||
| 434 | V | 88.4 | Confident | 85.9 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 146.8 | 173.8 | 173.4 | 0 | 0 | 0 | 0 | 108.9 | S327 E328 T375 W377 Y416 G436 | S327-V434 WeakPolarHBondContact CA-O 3.4Å; E328-V434 PolarHBondContact N-O 3.05Å; E328-V434 PolarHBondContact O-N 2.84Å; T375-V434 WeakPolarHBondContact O-CG1 3.34Å; W377-V434 HydrophobicContact CD2-CB 4.11Å; W377-V434 HydrophobicContact CD2-CG2 4.3Å; W377-V434 HydrophobicContact CG-CB 4.46Å; W377-V434 HydrophobicContact CH2-CG2 3.68Å; W377-V434 HydrophobicContact CZ2-CB 3.76Å; W377-V434 HydrophobicContact CZ2-CG2 3.25Å; W377-V434 HydrophobicContact CZ3-CG2 4.36Å; Y416-V434 HydrophobicContact CD2-CG1 3.85Å; Y416-V434 HydrophobicContact CG-CG1 4.11Å; Y416-V434 HydrophobicContact CG-CG2 4.44Å; V434-G436 PolarHBondContact O-N 3.04Å; V434-G436 VanDerWaalsContact O-N 3.08Å |
| 435 | N | 87.9 | Confident | 84.7 | Confident | 54 Ų | 54 | 44.4 Ų | 44.4 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 98.8 | -174.7 | -66.5 | -22.8 | 0 | 0 | 0 | 111.1 | S327 M374 T375 | S327-N435 WeakPolarHBondContact CB-OD1 3.48Å; S327-N435 PolarHBondContact OG-OD1 2.85Å; M374-N435 VanDerWaalsContact SD-O 3.41Å; T375-N435 CarbonylContact C-O 3.56Å; T375-N435 VanDerWaalsContact C-O 3.28Å; T375-N435 PolarHBondContact N-O 3.18Å |
| 436 | G | 87.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 95.4 | 169 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N324 T326 P376 W377 V434 | N324-G436 CarbonylContact O-C 3.59Å; N324-G436 WeakPolarHBondContact O-CA 3.47Å; T326-G436 VanDerWaalsContact O-CA 3.25Å; T326-G436 WeakPolarHBondContact O-CA 3.38Å; T326-G436 PolarHBondContact O-N 3.41Å; P376-G436 CarbonylContact C-O 3.59Å; P376-G436 VanDerWaalsContact CA-O 3.31Å; P376-G436 WeakPolarHBondContact CA-O 3.34Å; W377-G436 PolarHBondContact N-O 3.05Å; V434-G436 PolarHBondContact O-N 3.04Å; V434-G436 VanDerWaalsContact O-N 3.08Å |
| 437 | S | 91.7 | Very high | 81 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 149.3 | 175.8 | 62.5 | 0 | 0 | 0 | 0 | 111.3 | N324 | N324-S437 PolarHBondContact N-O 3.44Å; N324-S437 PolarHBondContact O-N 3.21Å |
| 438 | L | 93.4 | Very high | 79.3 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 112 | 176.2 | -177.3 | 65 | 0 | 0 | 0 | 109.2 | L321 F323 A345 L347 V356 P376 W377 | L321-L438 HydrophobicContact CB-CD1 4.43Å; F323-L438 HydrophobicContact CD1-CD1 3.88Å; F323-L438 HydrophobicContact CD2-CD1 4.23Å; F323-L438 HydrophobicContact CE1-CD1 3.76Å; F323-L438 HydrophobicContact CE2-CD1 4.12Å; F323-L438 HydrophobicContact CG-CD1 4.12Å; F323-L438 HydrophobicContact CZ-CD1 3.89Å; A345-L438 HydrophobicContact CB-CB 4.19Å; A345-L438 HydrophobicContact CB-CD2 3.62Å; A345-L438 HydrophobicContact CB-CG 3.55Å; A345-L438 WeakPolarHBondContact CB-O 3.39Å; A345-L438 PolarHBondContact N-O 3.13Å; L347-L438 HydrophobicContact CD1-CD2 4.46Å; L347-L438 HydrophobicContact CD2-CD2 4.01Å; V356-L438 HydrophobicContact CG1-CD2 4.09Å; V356-L438 HydrophobicContact CG2-CD2 3.53Å; P376-L438 HydrophobicContact CB-CB 4.46Å; W377-L438 PolarHBondContact O-N 2.85Å |
| 439 | C | 92.9 | Very high | 77.9 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 3% | 0.027 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 142.6 | 178.5 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | W313 L321 K322 C337 A342 V343 | W313-C439 HydrophobicContact CH2-CB 3.94Å; W313-C439 HydrophobicContact CZ3-CB 4.22Å; L321-C439 CarbonylContact C-O 3.4Å; L321-C439 WeakPolarHBondContact CA-O 3.49Å; K322-C439 PolarHBondContact N-O 3.26Å; K322-C439 PolarHBondContact O-N 3.16Å; C337-C439 WeakPolarHBondContact CA-SG 3.46Å; C337-C439 HydrophobicContact CB-CB 3.77Å; C337-C439 WeakPolarHBondContact CB-SG 3.41Å; C337-C439 WeakPolarHBondContact SG-CA 3.09Å; C337-C439 WeakPolarHBondContact SG-CB 3.44Å; C337-C439 CovalentContact SG-SG 2.04Å; C337-C439 PolarHBondContact SG-SG 3.47Å; A342-C439 HydrophobicContact CB-CB 4.01Å; V343-C439 CarbonylContact O-C 3.56Å; V343-C439 WeakPolarHBondContact O-CA 3.45Å |
| 440 | E | 91.5 | Very high | 76.6 | Confident | 19 Ų | 19 | 60.2 Ų | 60.2 | 9% | 0.089 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133.7 | 177.6 | 178.2 | 173.6 | -173.9 | 0 | 0 | 110.8 | S319 C320 L321 A342 V343 A345 S346 K352 | S319-E440 WeakPolarHBondContact CB-OE1 3.15Å; S319-E440 PolarHBondContact OG-OE1 2.9Å; C320-E440 WeakPolarHBondContact O-CA 3.41Å; L321-E440 HydrophobicContact CD2-CB 3.75Å; L321-E440 HydrophobicContact CD2-CG 3.92Å; A342-E440 CarbonylContact C-O 3.52Å; A342-E440 WeakPolarHBondContact CA-O 3.33Å; A342-E440 WeakPolarHBondContact CB-O 3.49Å; V343-E440 WeakPolarHBondContact CG2-O 3.37Å; V343-E440 PolarHBondContact N-O 3.47Å; V343-E440 PolarHBondContact O-N 2.79Å; A345-E440 HydrophobicContact CB-CB 3.71Å; S346-E440 PolarHBondContact N-OE2 3.44Å; K352-E440 WeakPolarHBondContact CE-OE1 3.35Å; K352-E440 VanDerWaalsContact NZ-CD 3.35Å; K352-E440 IonicContact NZ-OE1 3.08Å; K352-E440 PolarHBondContact NZ-OE1 3.16Å; K352-E440 IonicContact NZ-OE2 3.24Å; K352-E440 PolarHBondContact NZ-OE2 3.25Å |
| 441 | R | 88.6 | Confident | 75.5 | Confident | 60 Ų | 60 | 66 Ų | 66 | 23% | 0.226 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 152.1 | 167.3 | 64.9 | -176.9 | -179.1 | -175.8 | 3.5 | 111.1 | C309 W313 C320 H340 N341 A342 A443 | C309-R441 PolarHBondContact O-NH2 3.43Å; W313-R441 HydrophobicContact CE3-CG 4.15Å; W313-R441 HydrophobicContact CH2-CG 4.41Å; W313-R441 HydrophobicContact CZ3-CG 3.9Å; C320-R441 HydrophobicContact CB-CG 3.75Å; C320-R441 PolarHBondContact N-O 3.34Å; C320-R441 PolarHBondContact O-N 3.17Å; H340-R441 PolarHBondContact O-NH1 2.82Å; H340-R441 VanDerWaalsContact O-NH1 3.15Å; N341-R441 WeakPolarHBondContact O-CB 3.35Å; A342-R441 HydrophobicContact CB-CB 3.89Å; R441-A443 PolarHBondContact O-N 3.11Å |
| 442 | P | 80.2 | Confident | 74.5 | Confident | 109 Ų | 109 | 63.6 Ų | 63.6 | 71% | 0.708 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 134.8 | 172.8 | 26.5 | -33.8 | 0 | 0 | 0 | 109.3 | ||
| 443 | A | 70.6 | Confident | 73.6 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 10% | 0.099 | 34% | 0.343 | C | S | . | . | trans | -69.9 | 135.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V308 L315 N318 C320 R441 H445 | V308-A443 HydrophobicContact CG1-CB 3.98Å; L315-A443 HydrophobicContact CD1-CB 3.55Å; N318-A443 WeakPolarHBondContact O-CB 3.44Å; N318-A443 PolarHBondContact O-N 2.9Å; C320-A443 VanDerWaalsContact SG-CA 3.54Å; C320-A443 VanDerWaalsContact SG-CB 3.58Å; R441-A443 PolarHBondContact O-N 3.11Å; A443-H445 WeakPolarHBondContact CB-CE1 3.27Å; A443-H445 WeakPolarHBondContact CB-ND1 3.33Å; A443-H445 PolarHBondContact O-N 3.09Å | ||
| 444 | N | 58.5 | Low | 73.1 | Confident | 165 Ų | 165 | 59 Ų | 59 | 88% | 0.882 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -81 | 44.3 | -171.7 | -145 | 15.8 | 0 | 0 | 0 | 112.1 | ||
| 445 | H | 58.1 | Low | 72.3 | Confident | 33 Ų | 33 | 62.2 Ų | 62.2 | 15% | 0.153 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -130.8 | 135.5 | 173 | 66.2 | -74.9 | 0 | 0 | 0 | 108.4 | Q293 V308 A443 A447 | Q293-H445 PolarHBondContact OE1-CD2 3.29Å; Q293-H445 VanDerWaalsContact OE1-CD2 3.31Å; V308-H445 HydrophobicContact CG1-CB 4.22Å; V308-H445 WeakPolarHBondContact CG1-ND1 2.9Å; A443-H445 WeakPolarHBondContact CB-CE1 3.27Å; A443-H445 WeakPolarHBondContact CB-ND1 3.33Å; A443-H445 PolarHBondContact O-N 3.09Å; H445-A447 PolarHBondContact O-N 2.84Å |
| 446 | S | 50.2 | Low | 71.6 | Confident | 102 Ų | 102 | 65 Ų | 65 | 71% | 0.713 | 36% | 0.358 | S | S | * | . | trans | -74.8 | 68.8 | 177.1 | -71.7 | 0 | 0 | 0 | 0 | 110.6 | Q293 K448 | Q293-S446 PolarHBondContact NE2-O 3.26Å; S446-K448 PolarHBondContact O-N 2.95Å | ||
| 447 | A | 51.1 | Low | 71.3 | Confident | 24 Ų | 24 | 66.2 Ų | 66.2 | 20% | 0.198 | 36% | 0.363 | C | S | . | . | trans | -69 | 79.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | N318 H445 Q449 | N318-A447 WeakPolarHBondContact ND2-CB 3.29Å; N318-A447 PolarHBondContact ND2-O 2.78Å; N318-A447 WeakPolarHBondContact OD1-CB 3.4Å; H445-A447 PolarHBondContact O-N 2.84Å; A447-Q449 PolarHBondContact O-N 2.68Å | ||
| 448 | K | 53.9 | Low | 70.8 | Confident | 155 Ų | 155 | 71.3 Ų | 71.3 | 67% | 0.674 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 131.3 | 168.1 | -76 | -173.7 | 176.5 | -176.3 | 0 | 107.8 | S446 C450 | S446-K448 PolarHBondContact O-N 2.95Å; K448-C450 PolarHBondContact O-N 3.28Å |
| 449 | Q | 57 | Low | 70.3 | Confident | 181 Ų | 181 | 74.3 Ų | 74.3 | 85% | 0.846 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 130.6 | 175.5 | -88.3 | 176.4 | -18.7 | 0 | 0 | 110 | A447 K451 | A447-Q449 PolarHBondContact O-N 2.68Å; Q449-K451 PolarHBondContact O-N 3.24Å |
| 450 | C | 60.3 | Low | 69.8 | Low | 40 Ų | 40 | 74.8 Ų | 74.8 | 27% | 0.27 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 136.7 | 169.4 | -70.8 | 0 | 0 | 0 | 0 | 110.2 | C283 K448 T452 | C283-C450 HydrophobicContact CB-CB 3.75Å; C283-C450 WeakPolarHBondContact CB-SG 3.43Å; C283-C450 PolarHBondContact O-SG 3.46Å; C283-C450 WeakPolarHBondContact SG-CA 3.19Å; C283-C450 WeakPolarHBondContact SG-CB 3Å; C283-C450 CovalentContact SG-SG 2.01Å; C283-C450 PolarHBondContact SG-SG 2.91Å; K448-C450 PolarHBondContact O-N 3.28Å; C450-T452 PolarHBondContact O-N 3.37Å |
| 451 | K | 63.7 | Low | 69.3 | Low | 136 Ų | 136 | 77.5 Ų | 77.5 | 59% | 0.591 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -57 | 139.5 | 168.4 | -68.1 | -176.3 | 178.7 | -178.5 | 0 | 109.1 | Q449 P453 T467 | Q449-K451 PolarHBondContact O-N 3.24Å; K451-P453 WeakPolarHBondContact O-CD 3.43Å; K451-T467 PolarHBondContact NZ-O 2.73Å |
| 452 | T | 64.9 | Low | 69 | Low | 76 Ų | 76 | 78.5 Ų | 78.5 | 47% | 0.466 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 122.4 | 173.4 | -52.7 | 0 | 0 | 0 | 0 | 109.5 | C450 M456 | C450-T452 PolarHBondContact O-N 3.37Å; T452-M456 HydrophobicContact CG2-CB 3.97Å |
| 453 | P | 68.2 | Low | 69.1 | Low | 50 Ų | 50 | 73.3 Ų | 73.3 | 33% | 0.325 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -57 | 145.8 | 179.3 | -24 | 33 | 0 | 0 | 0 | 112 | K284 K451 A455 M456 | K284-P453 HydrophobicContact CB-CG 4.42Å; K451-P453 WeakPolarHBondContact O-CD 3.43Å; P453-A455 PolarHBondContact O-N 2.83Å; P453-M456 HydrophobicContact CG-SD 4.5Å; P453-M456 PolarHBondContact O-N 2.83Å |
| 454 | C | 75.8 | Confident | 69.6 | Low | 8 Ų | 8 | 73.2 Ų | 73.2 | 5% | 0.054 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -51.9 | -44.4 | 179.2 | -54.1 | 0 | 0 | 0 | 0 | 111.9 | M456 R457 C470 C479 V480 D481 | C454-M456 PolarHBondContact O-N 3.14Å; C454-R457 VanDerWaalsContact O-CB 3.32Å; C454-R457 WeakPolarHBondContact O-CB 3.19Å; C454-R457 PolarHBondContact O-N 3.31Å; C454-C470 WeakPolarHBondContact CA-SG 3.43Å; C454-C470 HydrophobicContact CB-CB 3.78Å; C454-C470 WeakPolarHBondContact CB-SG 3.43Å; C454-C470 WeakPolarHBondContact SG-CA 3.21Å; C454-C470 WeakPolarHBondContact SG-CB 3.23Å; C454-C470 CovalentContact SG-SG 2.01Å; C454-C470 PolarHBondContact SG-SG 3.17Å; C454-C479 CarbonylContact C-O 3.6Å; C454-C479 WeakPolarHBondContact O-CB 3Å; C454-C479 PolarHBondContact O-SG 3.38Å; C454-V480 VanDerWaalsContact CB-C 3.5Å; C454-D481 HydrophobicContact CB-CB 4.49Å; C454-D481 VanDerWaalsContact SG-CA 3.57Å |
| 455 | A | 71.4 | Confident | 70.2 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -60.1 | -20.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | P453 C479 | P453-A455 PolarHBondContact O-N 2.83Å; A455-C479 WeakPolarHBondContact CA-O 3.48Å; A455-C479 PolarHBondContact N-O 3.25Å |
| 456 | M | 73.4 | Confident | 70.1 | Confident | 112 Ų | 112 | 69.7 Ų | 69.7 | 55% | 0.552 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -86.2 | -11.4 | 176 | -70.9 | -174.5 | 170 | 0 | 0 | 112.9 | T452 P453 C454 T458 | T452-M456 HydrophobicContact CG2-CB 3.97Å; P453-M456 HydrophobicContact CG-SD 4.5Å; P453-M456 PolarHBondContact O-N 2.83Å; C454-M456 PolarHBondContact O-N 3.14Å; M456-T458 PolarHBondContact O-N 3.36Å |
| 457 | R | 81.6 | Confident | 70.2 | Confident | 27 Ų | 27 | 70.8 Ų | 70.8 | 10% | 0.102 | 41% | 0.413 | C | S | . | . | trans | -85.4 | 110.8 | 177.9 | -53.8 | -179.6 | 178.6 | -163.2 | 8.4 | 108.2 | C454 E462 C463 S468 C479 | C454-R457 VanDerWaalsContact O-CB 3.32Å; C454-R457 WeakPolarHBondContact O-CB 3.19Å; C454-R457 PolarHBondContact O-N 3.31Å; R457-E462 HydrophobicContact CB-CB 4.36Å; R457-E462 HydrophobicContact CB-CG 3.99Å; R457-E462 VanDerWaalsContact CD-O 3.31Å; R457-E462 WeakPolarHBondContact CD-O 3.27Å; R457-E462 HydrophobicContact CG-CG 4.02Å; R457-E462 PolarHBondContact NH1-O 3.24Å; R457-C463 HydrophobicContact CB-CB 4.38Å; R457-C463 PolarHBondContact NH1-O 3.16Å; R457-S468 PolarHBondContact NH1-OG 2.89Å; R457-C479 HydrophobicContact CB-CB 4.13Å; R457-C479 WeakPolarHBondContact O-CB 3.27Å | ||
| 458 | T | 81.3 | Confident | 70.5 | Confident | 108 Ų | 108 | 71 Ų | 71 | 66% | 0.663 | 41% | 0.414 | S | S | * | . | trans | -93.8 | -9.7 | -170.8 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | M456 W472 | M456-T458 PolarHBondContact O-N 3.36Å; T458-W472 WeakPolarHBondContact O-CH2 3.38Å | ||
| 459 | T | 83.4 | Confident | 71.2 | Confident | 62 Ų | 62 | 69.4 Ų | 69.4 | 38% | 0.38 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -117.7 | 148.6 | 179.5 | 65.2 | 0 | 0 | 0 | 0 | 110.4 | S461 E462 C463 | T459-S461 VanDerWaalsContact C-N 3.3Å; T459-S461 PolarHBondContact O-N 3.31Å; T459-S461 PolarHBondContact OG1-OG 3.24Å; T459-E462 PolarHBondContact O-N 3.26Å; T459-E462 WeakPolarHBondContact OG1-CB 3.38Å; T459-E462 PolarHBondContact OG1-N 3.18Å; T459-C463 VanDerWaalsContact O-CB 3.3Å; T459-C463 WeakPolarHBondContact O-CB 3.45Å; T459-C463 PolarHBondContact O-N 2.87Å |
| 460 | C | 82.4 | Confident | 72.3 | Confident | 14 Ų | 14 | 61 Ų | 61 | 10% | 0.095 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 179.1 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | E462 C463 T464 W472 C503 | C460-E462 PolarHBondContact O-N 2.9Å; C460-C463 WeakPolarHBondContact O-CB 3.13Å; C460-C463 PolarHBondContact O-N 2.9Å; C460-T464 WeakPolarHBondContact O-CB 2.96Å; C460-T464 WeakPolarHBondContact O-CG2 3.45Å; C460-T464 PolarHBondContact O-N 3.49Å; C460-T464 PolarHBondContact O-OG1 3.08Å; C460-W472 HydrophobicContact CB-CB 4.36Å; C460-W472 HydrophobicContact CB-CD2 3.64Å; C460-W472 HydrophobicContact CB-CE3 4.37Å; C460-W472 HydrophobicContact CB-CG 3.59Å; C460-W472 HydrophobicContact CB-CZ2 4.28Å; C460-C503 VanDerWaalsContact CA-SG 3.57Å; C460-C503 HydrophobicContact CB-CB 3.46Å; C460-C503 VanDerWaalsContact CB-CB 3.46Å; C460-C503 WeakPolarHBondContact CB-SG 3.31Å; C460-C503 PolarHBondContact O-SG 3.45Å; C460-C503 VanDerWaalsContact SG-CA 3.5Å; C460-C503 WeakPolarHBondContact SG-CB 3.42Å; C460-C503 CovalentContact SG-SG 2Å; C460-C503 PolarHBondContact SG-SG 2.86Å |
| 461 | S | 81.6 | Confident | 73.4 | Confident | 77 Ų | 77 | 60.1 Ų | 60.1 | 54% | 0.538 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 179.8 | 47.4 | 0 | 0 | 0 | 0 | 112.2 | T459 S465 C503 | T459-S461 VanDerWaalsContact C-N 3.3Å; T459-S461 PolarHBondContact O-N 3.31Å; T459-S461 PolarHBondContact OG1-OG 3.24Å; S461-S465 WeakPolarHBondContact O-CB 3.2Å; S461-S465 PolarHBondContact O-N 2.81Å; S461-C503 PolarHBondContact N-SG 2.81Å |
| 462 | E | 82.5 | Confident | 74.5 | Confident | 80 Ų | 80 | 54.6 Ų | 54.6 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.9 | -41.1 | 174 | -171.5 | -176.4 | -167.3 | 0 | 0 | 111.2 | R457 T459 C460 T464 S465 | R457-E462 HydrophobicContact CB-CB 4.36Å; R457-E462 HydrophobicContact CB-CG 3.99Å; R457-E462 VanDerWaalsContact CD-O 3.31Å; R457-E462 WeakPolarHBondContact CD-O 3.27Å; R457-E462 HydrophobicContact CG-CG 4.02Å; R457-E462 PolarHBondContact NH1-O 3.24Å; T459-E462 PolarHBondContact O-N 3.26Å; T459-E462 WeakPolarHBondContact OG1-CB 3.38Å; T459-E462 PolarHBondContact OG1-N 3.18Å; C460-E462 PolarHBondContact O-N 2.9Å; E462-T464 VanDerWaalsContact C-N 3.26Å; E462-T464 PolarHBondContact O-N 3.45Å; E462-S465 PolarHBondContact O-N 3.34Å; E462-S465 PolarHBondContact O-OG 3.21Å |
| 463 | C | 81.5 | Confident | 75.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 176.8 | -174.1 | 0 | 0 | 0 | 0 | 112.3 | R457 T459 C460 S468 C470 W472 C479 | R457-C463 HydrophobicContact CB-CB 4.38Å; R457-C463 PolarHBondContact NH1-O 3.16Å; T459-C463 VanDerWaalsContact O-CB 3.3Å; T459-C463 WeakPolarHBondContact O-CB 3.45Å; T459-C463 PolarHBondContact O-N 2.87Å; C460-C463 WeakPolarHBondContact O-CB 3.13Å; C460-C463 PolarHBondContact O-N 2.9Å; C463-S468 PolarHBondContact O-OG 3.41Å; C463-C470 WeakPolarHBondContact O-CB 3.32Å; C463-W472 HydrophobicContact CB-CB 4.09Å; C463-W472 HydrophobicContact CB-CD2 4.43Å; C463-W472 HydrophobicContact CB-CE3 3.72Å; C463-C479 WeakPolarHBondContact CA-SG 3.43Å; C463-C479 HydrophobicContact CB-CB 3.57Å; C463-C479 WeakPolarHBondContact CB-SG 3.26Å; C463-C479 VanDerWaalsContact SG-CA 3.52Å; C463-C479 WeakPolarHBondContact SG-CB 3.39Å; C463-C479 CovalentContact SG-SG 2.01Å; C463-C479 PolarHBondContact SG-SG 2.98Å |
| 464 | T | 80.4 | Confident | 76.1 | Confident | 10 Ų | 10 | 50 Ų | 50 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 3.5 | -172.5 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | C460 E462 G466 W472 Y498 L500 S501 C503 | C460-T464 WeakPolarHBondContact O-CB 2.96Å; C460-T464 WeakPolarHBondContact O-CG2 3.45Å; C460-T464 PolarHBondContact O-N 3.49Å; C460-T464 PolarHBondContact O-OG1 3.08Å; E462-T464 VanDerWaalsContact C-N 3.26Å; E462-T464 PolarHBondContact O-N 3.45Å; T464-G466 PolarHBondContact O-N 3.45Å; T464-W472 HydrophobicContact CG2-CB 4.16Å; T464-Y498 WeakPolarHBondContact CG2-O 2.97Å; T464-L500 WeakPolarHBondContact CB-O 3.49Å; T464-L500 WeakPolarHBondContact CG2-O 3.46Å; T464-S501 WeakPolarHBondContact OG1-CA 3.34Å; T464-C503 PolarHBondContact OG1-SG 3.35Å |
| 465 | S | 71.1 | Confident | 76.1 | Confident | 59 Ų | 59 | 53.1 Ų | 53.1 | 41% | 0.413 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -69 | 124.4 | 175.8 | 65.2 | 0 | 0 | 0 | 0 | 110.7 | S461 E462 S468 | S461-S465 WeakPolarHBondContact O-CB 3.2Å; S461-S465 PolarHBondContact O-N 2.81Å; E462-S465 PolarHBondContact O-N 3.34Å; E462-S465 PolarHBondContact O-OG 3.21Å; S465-S468 PolarHBondContact O-OG 3.19Å |
| 466 | G | 56.9 | Low | 76.6 | Confident | 66 Ų | 66 | 53.6 Ų | 53.6 | 68% | 0.68 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -22 | 139 | -171.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | T464 | T464-G466 PolarHBondContact O-N 3.45Š|
| 467 | T | 52.3 | Low | 77 | Confident | 124 Ų | 124 | 56.1 Ų | 56.1 | 76% | 0.761 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 82.7 | 12.2 | 172.9 | 75 | 0 | 0 | 0 | 0 | 118.2 | K451 | K451-T467 PolarHBondContact NZ-O 2.73Š|
| 468 | S | 56.7 | Low | 77.1 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 20% | 0.203 | 34% | 0.335 | C | S | . | . | trans | -110.6 | 132.6 | 175.1 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | R457 C463 S465 C470 | R457-S468 PolarHBondContact NH1-OG 2.89Å; C463-S468 PolarHBondContact O-OG 3.41Å; S465-S468 PolarHBondContact O-OG 3.19Å; S468-C470 VanDerWaalsContact CB-SG 3.52Å; S468-C470 PolarHBondContact O-N 3.36Å | ||
| 469 | E | 69.8 | Low | 77.3 | Confident | 122 Ų | 122 | 53.3 Ų | 53.3 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | trans | -67.7 | 43.5 | 164.9 | -66.9 | -177 | -174.4 | 0 | 0 | 110.9 | D481 S482 N483 | E469-D481 CarbonylContact O-C 3.54Å; E469-D481 WeakPolarHBondContact O-CA 3.23Å; E469-S482 PolarHBondContact O-N 3.37Å; E469-S482 PolarHBondContact O-OG 2.91Å; E469-N483 PolarHBondContact OE2-ND2 3.34Å | ||
| 470 | C | 78.5 | Confident | 77.1 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 145.4 | -179.8 | -61.7 | 0 | 0 | 0 | 0 | 110.3 | C454 C463 S468 V480 | C454-C470 WeakPolarHBondContact CA-SG 3.43Å; C454-C470 HydrophobicContact CB-CB 3.78Å; C454-C470 WeakPolarHBondContact CB-SG 3.43Å; C454-C470 WeakPolarHBondContact SG-CA 3.21Å; C454-C470 WeakPolarHBondContact SG-CB 3.23Å; C454-C470 CovalentContact SG-SG 2.01Å; C454-C470 PolarHBondContact SG-SG 3.17Å; C463-C470 WeakPolarHBondContact O-CB 3.32Å; S468-C470 VanDerWaalsContact CB-SG 3.52Å; S468-C470 PolarHBondContact O-N 3.36Å; C470-V480 CarbonylContact C-O 3.56Å; C470-V480 WeakPolarHBondContact CA-O 3.41Å |
| 471 | M | 83.8 | Confident | 76.8 | Confident | 20 Ų | 20 | 52.8 Ų | 52.8 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 127.4 | 177 | -45.4 | -160.7 | -69.1 | 0 | 0 | 109.1 | V480 Y485 W497 Y498 T499 | M471-V480 HydrophobicContact CB-CG2 4.2Å; M471-V480 PolarHBondContact N-O 2.91Å; M471-V480 WeakPolarHBondContact O-CG2 3.43Å; M471-V480 PolarHBondContact O-N 3.32Å; M471-Y485 HydrophobicContact CE-CD2 3.48Å; M471-Y485 VanDerWaalsContact CE-CD2 3.48Å; M471-Y485 HydrophobicContact CE-CE2 4.45Å; M471-Y485 HydrophobicContact CE-CG 3.83Å; M471-W497 HydrophobicContact CB-CB 4.47Å; M471-Y498 WeakPolarHBondContact CA-O 2.93Å; M471-T499 HydrophobicContact CB-CG2 4.31Å; M471-T499 HydrophobicContact CG-CG2 3.83Å; M471-T499 HydrophobicContact SD-CG2 3.97Å |
| 472 | W | 86.9 | Confident | 76.3 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 8% | 0.076 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 117.7 | 175.3 | 178.2 | -100.2 | 0 | 0 | 0 | 110.5 | T458 C460 C463 T464 K477 C479 W497 Y498 | T458-W472 WeakPolarHBondContact O-CH2 3.38Å; C460-W472 HydrophobicContact CB-CB 4.36Å; C460-W472 HydrophobicContact CB-CD2 3.64Å; C460-W472 HydrophobicContact CB-CE3 4.37Å; C460-W472 HydrophobicContact CB-CG 3.59Å; C460-W472 HydrophobicContact CB-CZ2 4.28Å; C463-W472 HydrophobicContact CB-CB 4.09Å; C463-W472 HydrophobicContact CB-CD2 4.43Å; C463-W472 HydrophobicContact CB-CE3 3.72Å; T464-W472 HydrophobicContact CG2-CB 4.16Å; W472-K477 HydrophobicContact CH2-CB 4.34Å; W472-K477 VanDerWaalsContact CH2-O 3.27Å; W472-K477 WeakPolarHBondContact CH2-O 3.4Å; W472-K477 HydrophobicContact CZ2-CB 4.08Å; W472-C479 HydrophobicContact CE3-CB 3.72Å; W472-C479 HydrophobicContact CZ3-CB 4Å; W472-W497 CarbonylContact O-C 3.59Å; W472-W497 WeakPolarHBondContact O-CA 3.42Å; W472-Y498 PolarHBondContact N-O 3.28Å; W472-Y498 PolarHBondContact O-N 2.01Å |
| 473 | C | 85.3 | Confident | 75.5 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.007 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 109.7 | 171.4 | -168.5 | 0 | 0 | 0 | 0 | 110.6 | N475 M476 K477 Q478 F489 C494 | C473-N475 PolarHBondContact SG-OD1 3.05Å; C473-M476 HydrophobicContact CB-CB 4.17Å; C473-M476 PolarHBondContact O-N 3.38Å; C473-K477 WeakPolarHBondContact O-CA 3.35Å; C473-K477 PolarHBondContact O-N 2.01Å; C473-Q478 WeakPolarHBondContact CB-O 3.49Å; C473-Q478 PolarHBondContact N-O 3.25Å; C473-Q478 PolarHBondContact O-N 2.77Å; C473-F489 HydrophobicContact CB-CE1 4.32Å; C473-F489 HydrophobicContact CB-CE2 3.83Å; C473-F489 HydrophobicContact CB-CZ 3.42Å; C473-F489 VanDerWaalsContact CB-CZ 3.42Å; C473-C494 WeakPolarHBondContact CA-SG 3.03Å; C473-C494 HydrophobicContact CB-CB 4.11Å; C473-C494 WeakPolarHBondContact CB-SG 3.05Å; C473-C494 WeakPolarHBondContact SG-CA 3.46Å; C473-C494 WeakPolarHBondContact SG-CB 3.5Å; C473-C494 CovalentContact SG-SG 2.04Å; C473-C494 PolarHBondContact SG-SG 2.89Å |
| 474 | S | 81 | Confident | 74.7 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -41.7 | -172.5 | 160.3 | 0 | 0 | 0 | 0 | 112.8 | M476 K477 E496 | S474-M476 VanDerWaalsContact C-N 3.34Å; S474-M476 PolarHBondContact O-N 2.84Å; S474-K477 PolarHBondContact O-N 2.84Å; S474-E496 WeakPolarHBondContact CB-OE1 3.34Å; S474-E496 PolarHBondContact N-O 3.24Å; S474-E496 PolarHBondContact OG-OE1 2.99Å |
| 475 | N | 76.9 | Confident | 74.3 | Confident | 74 Ų | 74 | 55 Ų | 55 | 40% | 0.396 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -29.2 | -179.8 | 69.1 | -80.4 | 0 | 0 | 0 | 113.3 | C473 Q493 C494 M495 | C473-N475 PolarHBondContact SG-OD1 3.05Å; N475-Q493 PolarHBondContact ND2-O 2.8Å; N475-C494 WeakPolarHBondContact OD1-CA 3.42Å; N475-M495 PolarHBondContact OD1-N 2.84Å |
| 476 | M | 80.4 | Confident | 74 | Confident | 87 Ų | 87 | 55 Ų | 55 | 43% | 0.429 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -11.8 | 175 | -162 | 63 | 122.9 | 0 | 0 | 112.8 | C473 S474 Q478 F489 | C473-M476 HydrophobicContact CB-CB 4.17Å; C473-M476 PolarHBondContact O-N 3.38Å; S474-M476 VanDerWaalsContact C-N 3.34Å; S474-M476 PolarHBondContact O-N 2.84Å; M476-Q478 HydrophobicContact CB-CB 4.17Å; M476-Q478 HydrophobicContact CG-CB 3.99Å; M476-Q478 PolarHBondContact O-N 2.73Å; M476-F489 HydrophobicContact CB-CE1 3.99Å; M476-F489 HydrophobicContact CB-CZ 4.35Å; M476-F489 HydrophobicContact CG-CE1 4Å |
| 477 | K | 83.7 | Confident | 74.3 | Confident | 165 Ų | 165 | 53.5 Ų | 53.5 | 72% | 0.717 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 43.1 | -170.6 | -58.5 | -177.5 | 177.9 | -178.9 | 0 | 112.4 | W472 C473 S474 | W472-K477 HydrophobicContact CH2-CB 4.34Å; W472-K477 VanDerWaalsContact CH2-O 3.27Å; W472-K477 WeakPolarHBondContact CH2-O 3.4Å; W472-K477 HydrophobicContact CZ2-CB 4.08Å; C473-K477 WeakPolarHBondContact O-CA 3.35Å; C473-K477 PolarHBondContact O-N 2.01Å; S474-K477 PolarHBondContact O-N 2.84Å |
| 478 | Q | 83.3 | Confident | 75.2 | Confident | 75 Ų | 75 | 49.3 Ų | 49.3 | 35% | 0.35 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.6 | -173.4 | -172.3 | 177.5 | -17 | 0 | 0 | 110.5 | C473 M476 V480 | C473-Q478 WeakPolarHBondContact CB-O 3.49Å; C473-Q478 PolarHBondContact N-O 3.25Å; C473-Q478 PolarHBondContact O-N 2.77Å; M476-Q478 HydrophobicContact CB-CB 4.17Å; M476-Q478 HydrophobicContact CG-CB 3.99Å; M476-Q478 PolarHBondContact O-N 2.73Å; Q478-V480 HydrophobicContact CG-CG1 4.07Å |
| 479 | C | 84.8 | Confident | 75.9 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124.2 | 170.1 | -172 | 0 | 0 | 0 | 0 | 109.7 | C454 A455 R457 C463 W472 | C454-C479 CarbonylContact C-O 3.6Å; C454-C479 WeakPolarHBondContact O-CB 3Å; C454-C479 PolarHBondContact O-SG 3.38Å; A455-C479 WeakPolarHBondContact CA-O 3.48Å; A455-C479 PolarHBondContact N-O 3.25Å; R457-C479 HydrophobicContact CB-CB 4.13Å; R457-C479 WeakPolarHBondContact O-CB 3.27Å; C463-C479 WeakPolarHBondContact CA-SG 3.43Å; C463-C479 HydrophobicContact CB-CB 3.57Å; C463-C479 WeakPolarHBondContact CB-SG 3.26Å; C463-C479 VanDerWaalsContact SG-CA 3.52Å; C463-C479 WeakPolarHBondContact SG-CB 3.39Å; C463-C479 CovalentContact SG-SG 2.01Å; C463-C479 PolarHBondContact SG-SG 2.98Å; W472-C479 HydrophobicContact CE3-CB 3.72Å; W472-C479 HydrophobicContact CZ3-CB 4Å |
| 480 | V | 80.1 | Confident | 75.5 | Confident | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 152.5 | -179.8 | -61 | 0 | 0 | 0 | 0 | 110.1 | C454 C470 M471 Q478 F489 | C454-V480 VanDerWaalsContact CB-C 3.5Å; C470-V480 CarbonylContact C-O 3.56Å; C470-V480 WeakPolarHBondContact CA-O 3.41Å; M471-V480 HydrophobicContact CB-CG2 4.2Å; M471-V480 PolarHBondContact N-O 2.91Å; M471-V480 WeakPolarHBondContact O-CG2 3.43Å; M471-V480 PolarHBondContact O-N 3.32Å; Q478-V480 HydrophobicContact CG-CG1 4.07Å; V480-F489 HydrophobicContact CB-CE2 4.28Å; V480-F489 HydrophobicContact CG1-CE2 3.71Å; V480-F489 HydrophobicContact CG1-CZ 3.76Å; V480-F489 HydrophobicContact CG2-CD2 4.46Å; V480-F489 HydrophobicContact CG2-CE2 3.64Å; V480-F489 HydrophobicContact CG2-CZ 4.42Å |
| 481 | D | 75.1 | Confident | 74.8 | Confident | 59 Ų | 59 | 47 Ų | 47 | 32% | 0.316 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 142.1 | 168.6 | -168.9 | -72 | 0 | 0 | 0 | 109.2 | C454 E469 N483 A484 Y485 | C454-D481 HydrophobicContact CB-CB 4.49Å; C454-D481 VanDerWaalsContact SG-CA 3.57Å; E469-D481 CarbonylContact O-C 3.54Å; E469-D481 WeakPolarHBondContact O-CA 3.23Å; D481-N483 PolarHBondContact O-N 2.89Å; D481-N483 WeakPolarHBondContact OD1-CB 3.11Å; D481-N483 PolarHBondContact OD1-N 3.32Å; D481-A484 HydrophobicContact CB-CB 3.85Å; D481-A484 CarbonylContact O-C 3.56Å; D481-A484 WeakPolarHBondContact O-CA 2.92Å; D481-A484 PolarHBondContact O-N 3.45Å; D481-Y485 PolarHBondContact O-N 2.75Å |
| 482 | S | 70.9 | Confident | 74 | Confident | 41 Ų | 41 | 47.8 Ų | 47.8 | 29% | 0.287 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -60.8 | -35.7 | -179.5 | 54.4 | 0 | 0 | 0 | 0 | 112 | E469 A484 Y485 | E469-S482 PolarHBondContact O-N 3.37Å; E469-S482 PolarHBondContact O-OG 2.91Å; S482-A484 VanDerWaalsContact C-N 3.26Å; S482-A484 PolarHBondContact O-N 3.44Å; S482-Y485 WeakPolarHBondContact O-CB 3.3Å; S482-Y485 PolarHBondContact O-N 3.45Å |
| 483 | N | 65.5 | Low | 73.2 | Confident | 82 Ų | 82 | 51 Ų | 51 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -75.4 | -19.4 | 177.1 | -56.4 | -41 | 0 | 0 | 0 | 111.8 | E469 D481 | E469-N483 PolarHBondContact OE2-ND2 3.34Å; D481-N483 PolarHBondContact O-N 2.89Å; D481-N483 WeakPolarHBondContact OD1-CB 3.11Å; D481-N483 PolarHBondContact OD1-N 3.32Å |
| 484 | A | 65.9 | Low | 72.7 | Confident | 32 Ų | 32 | 51.2 Ų | 51.2 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -94.5 | 8.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D481 S482 V486 A487 S488 | D481-A484 HydrophobicContact CB-CB 3.85Å; D481-A484 CarbonylContact O-C 3.56Å; D481-A484 WeakPolarHBondContact O-CA 2.92Å; D481-A484 PolarHBondContact O-N 3.45Å; S482-A484 VanDerWaalsContact C-N 3.26Å; S482-A484 PolarHBondContact O-N 3.44Å; A484-V486 PolarHBondContact O-N 3.47Å; A484-A487 WeakPolarHBondContact O-CB 3.49Å; A484-A487 PolarHBondContact O-N 2.86Å; A484-S488 WeakPolarHBondContact O-CB 2.94Å; A484-S488 PolarHBondContact O-N 3.31Å; A484-S488 PolarHBondContact O-OG 3.41Å |
| 485 | Y | 71.1 | Confident | 72.2 | Confident | 57 Ų | 57 | 55.8 Ų | 55.8 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.1 | -49.4 | -178.6 | 179.2 | -95.5 | 0 | 0 | 0 | 112.5 | M471 D481 S482 A487 S488 F489 C494 W497 | M471-Y485 HydrophobicContact CE-CD2 3.48Å; M471-Y485 VanDerWaalsContact CE-CD2 3.48Å; M471-Y485 HydrophobicContact CE-CE2 4.45Å; M471-Y485 HydrophobicContact CE-CG 3.83Å; D481-Y485 PolarHBondContact O-N 2.75Å; S482-Y485 WeakPolarHBondContact O-CB 3.3Å; S482-Y485 PolarHBondContact O-N 3.45Å; Y485-A487 VanDerWaalsContact C-N 3.26Å; Y485-A487 PolarHBondContact O-N 3.08Å; Y485-S488 PolarHBondContact O-N 3.46Å; Y485-S488 VanDerWaalsContact O-N 3.16Å; Y485-F489 AromaticContact CD2-CD2 3.65Å; Y485-F489 HydrophobicContact CD2-CD2 3.65Å; Y485-F489 HydrophobicContact CD2-CE2 4.29Å; Y485-F489 HydrophobicContact CE2-CB 4.46Å; Y485-F489 AromaticContact CE2-CD2 3.63Å; Y485-F489 HydrophobicContact CE2-CD2 3.63Å; Y485-F489 HydrophobicContact CE2-CE2 4.36Å; Y485-F489 HydrophobicContact CE2-CG 4.45Å; Y485-F489 HydrophobicContact CG-CD2 4.45Å; Y485-F489 PolarHBondContact O-N 3.42Å; Y485-C494 HydrophobicContact CE2-CB 3.95Å; Y485-W497 HydrophobicContact CE2-CE3 4.49Å |
| 486 | V | 65.2 | Low | 72.1 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 36% | 0.358 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.4 | -35.9 | -178.3 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | Y18 A484 P490 | Y18-V486 WeakPolarHBondContact OH-CG1 3.15Å; A484-V486 PolarHBondContact O-N 3.47Å; V486-P490 WeakPolarHBondContact O-CA 3.34Å |
| 487 | A | 64 | Low | 71.9 | Confident | 35 Ų | 35 | 58.1 Ų | 58.1 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.6 | -39.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y18 A484 Y485 | Y18-A487 HydrophobicContact CD1-CB 3.31Å; Y18-A487 HydrophobicContact CD2-CB 4.01Å; Y18-A487 HydrophobicContact CE1-CB 3.27Å; Y18-A487 HydrophobicContact CE2-CB 4.04Å; Y18-A487 HydrophobicContact CG-CB 3.7Å; Y18-A487 VanDerWaalsContact CZ-CA 3.48Å; A484-A487 WeakPolarHBondContact O-CB 3.49Å; A484-A487 PolarHBondContact O-N 2.86Å; Y485-A487 VanDerWaalsContact C-N 3.26Å; Y485-A487 PolarHBondContact O-N 3.08Å |
| 488 | S | 69.7 | Low | 71.7 | Confident | 37 Ų | 37 | 53 Ų | 53 | 26% | 0.259 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -82.7 | -31.7 | -173.8 | -54.4 | 0 | 0 | 0 | 0 | 112.3 | A484 Y485 P490 | A484-S488 WeakPolarHBondContact O-CB 2.94Å; A484-S488 PolarHBondContact O-N 3.31Å; A484-S488 PolarHBondContact O-OG 3.41Å; Y485-S488 PolarHBondContact O-N 3.46Å; Y485-S488 VanDerWaalsContact O-N 3.16Å; S488-P490 VanDerWaalsContact C-CD 3.46Å |
| 489 | F | 73.3 | Confident | 71.3 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | trans | -130.8 | 62.9 | -176.7 | -54 | -59 | 0 | 0 | 0 | 111.5 | C473 M476 V480 Y485 F491 G492 Q493 C494 | C473-F489 HydrophobicContact CB-CE1 4.32Å; C473-F489 HydrophobicContact CB-CE2 3.83Å; C473-F489 HydrophobicContact CB-CZ 3.42Å; C473-F489 VanDerWaalsContact CB-CZ 3.42Å; M476-F489 HydrophobicContact CB-CE1 3.99Å; M476-F489 HydrophobicContact CB-CZ 4.35Å; M476-F489 HydrophobicContact CG-CE1 4Å; V480-F489 HydrophobicContact CB-CE2 4.28Å; V480-F489 HydrophobicContact CG1-CE2 3.71Å; V480-F489 HydrophobicContact CG1-CZ 3.76Å; V480-F489 HydrophobicContact CG2-CD2 4.46Å; V480-F489 HydrophobicContact CG2-CE2 3.64Å; V480-F489 HydrophobicContact CG2-CZ 4.42Å; Y485-F489 AromaticContact CD2-CD2 3.65Å; Y485-F489 HydrophobicContact CD2-CD2 3.65Å; Y485-F489 HydrophobicContact CD2-CE2 4.29Å; Y485-F489 HydrophobicContact CE2-CB 4.46Å; Y485-F489 AromaticContact CE2-CD2 3.63Å; Y485-F489 HydrophobicContact CE2-CD2 3.63Å; Y485-F489 HydrophobicContact CE2-CE2 4.36Å; Y485-F489 HydrophobicContact CE2-CG 4.45Å; Y485-F489 HydrophobicContact CG-CD2 4.45Å; Y485-F489 PolarHBondContact O-N 3.42Å; F489-F491 PolarHBondContact O-N 2.81Å; F489-G492 PolarHBondContact O-N 3.3Å; F489-Q493 HydrophobicContact CD1-CB 4.05Å; F489-C494 HydrophobicContact CB-CB 4.32Å; F489-C494 HydrophobicContact CD1-CB 3.99Å; F489-C494 HydrophobicContact CD2-CB 3.51Å; F489-C494 HydrophobicContact CE1-CB 4.15Å; F489-C494 HydrophobicContact CE2-CB 3.65Å; F489-C494 HydrophobicContact CG-CB 3.66Å; F489-C494 HydrophobicContact CZ-CB 3.99Å | ||
| 490 | P | 59.7 | Low | 70.4 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 21% | 0.214 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -20.9 | -172.6 | 24.5 | -34.9 | 0 | 0 | 0 | 114.3 | L73 V486 S488 | L73-P490 HydrophobicContact CD1-CB 3.67Å; V486-P490 WeakPolarHBondContact O-CA 3.34Å; S488-P490 VanDerWaalsContact C-CD 3.46Å |
| 491 | F | 65.1 | Low | 69.5 | Low | 70 Ų | 70 | 62.6 Ų | 62.6 | 31% | 0.307 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 18 | 178.5 | -50.5 | -67.1 | 0 | 0 | 0 | 113.2 | F132 F149 F489 Q493 | F132-F491 HydrophobicContact CD2-CE1 4.33Å; F132-F491 HydrophobicContact CE2-CD1 4.17Å; F132-F491 AromaticContact CE2-CE1 3.95Å; F132-F491 HydrophobicContact CE2-CE1 3.95Å; F149-F491 HydrophobicContact CB-CD1 3.88Å; F149-F491 HydrophobicContact CB-CE1 3.93Å; F149-F491 HydrophobicContact CG-CD1 4.22Å; F489-F491 PolarHBondContact O-N 2.81Å; F491-Q493 VanDerWaalsContact C-N 3.27Å; F491-Q493 HydrophobicContact CB-CG 4.28Å; F491-Q493 PolarHBondContact O-N 3.44Å |
| 492 | G | 65.9 | Low | 69 | Low | 37 Ų | 37 | 65.8 Ų | 65.8 | 38% | 0.381 | 36% | 0.36 | S | S | . | . | trans | 65.1 | 33.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F489 C494 | F489-G492 PolarHBondContact O-N 3.3Å; G492-C494 PolarHBondContact O-N 2.9Å | ||
| 493 | Q | 69.8 | Low | 68.7 | Low | 88 Ų | 88 | 65.3 Ų | 65.3 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | trans | -63.4 | -21 | -179.2 | -68.7 | 168.5 | -44.8 | 0 | 0 | 112.7 | N475 F489 F491 M495 | N475-Q493 PolarHBondContact ND2-O 2.8Å; F489-Q493 HydrophobicContact CD1-CB 4.05Å; F491-Q493 VanDerWaalsContact C-N 3.27Å; F491-Q493 HydrophobicContact CB-CG 4.28Å; F491-Q493 PolarHBondContact O-N 3.44Å; Q493-M495 PolarHBondContact O-N 2.84Å | ||
| 494 | C | 75.1 | Confident | 68.4 | Low | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.034 | 35% | 0.348 | C | S | . | . | trans | -84.3 | 108.7 | 172.1 | -162.6 | 0 | 0 | 0 | 0 | 110.6 | C473 N475 Y485 F489 G492 E496 | C473-C494 WeakPolarHBondContact CA-SG 3.03Å; C473-C494 HydrophobicContact CB-CB 4.11Å; C473-C494 WeakPolarHBondContact CB-SG 3.05Å; C473-C494 WeakPolarHBondContact SG-CA 3.46Å; C473-C494 WeakPolarHBondContact SG-CB 3.5Å; C473-C494 CovalentContact SG-SG 2.04Å; C473-C494 PolarHBondContact SG-SG 2.89Å; N475-C494 WeakPolarHBondContact OD1-CA 3.42Å; Y485-C494 HydrophobicContact CE2-CB 3.95Å; F489-C494 HydrophobicContact CB-CB 4.32Å; F489-C494 HydrophobicContact CD1-CB 3.99Å; F489-C494 HydrophobicContact CD2-CB 3.51Å; F489-C494 HydrophobicContact CE1-CB 4.15Å; F489-C494 HydrophobicContact CE2-CB 3.65Å; F489-C494 HydrophobicContact CG-CB 3.66Å; F489-C494 HydrophobicContact CZ-CB 3.99Å; G492-C494 PolarHBondContact O-N 2.9Å; C494-E496 PolarHBondContact SG-O 3.43Å | ||
| 495 | M | 70.1 | Confident | 67.6 | Low | 123 Ų | 123 | 70.9 Ų | 70.9 | 61% | 0.606 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -82.5 | -26.7 | -178 | -60 | -64 | -59.6 | 0 | 0 | 111.9 | N475 Q493 | N475-M495 PolarHBondContact OD1-N 2.84Å; Q493-M495 PolarHBondContact O-N 2.84Å |
| 496 | E | 76 | Confident | 66.2 | Low | 75 Ų | 75 | 73.6 Ų | 73.6 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | trans | -149.8 | 131.2 | -178.6 | 47.2 | 171.6 | -157.1 | 0 | 0 | 110 | S474 C494 Y498 | S474-E496 WeakPolarHBondContact CB-OE1 3.34Å; S474-E496 PolarHBondContact N-O 3.24Å; S474-E496 PolarHBondContact OG-OE1 2.99Å; C494-E496 PolarHBondContact SG-O 3.43Å; E496-Y498 PolarHBondContact OE2-OH 3.46Å | ||
| 497 | W | 76.6 | Confident | 65.3 | Low | 135 Ų | 135 | 74 Ų | 74 | 51% | 0.511 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 145.4 | 177.9 | 63.6 | 91.2 | 0 | 0 | 0 | 111.8 | M471 W472 Y485 | M471-W497 HydrophobicContact CB-CB 4.47Å; W472-W497 CarbonylContact O-C 3.59Å; W472-W497 WeakPolarHBondContact O-CA 3.42Å; Y485-W497 HydrophobicContact CE2-CE3 4.49Å |
| 498 | Y | 79 | Confident | 63.9 | Low | 58 Ų | 58 | 81.3 Ų | 81.3 | 23% | 0.227 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.3 | 179.2 | -58.9 | -91.7 | 0 | 0 | 0 | 109.5 | T464 M471 W472 E496 N502 P504 | T464-Y498 WeakPolarHBondContact CG2-O 2.97Å; M471-Y498 WeakPolarHBondContact CA-O 2.93Å; W472-Y498 PolarHBondContact N-O 3.28Å; W472-Y498 PolarHBondContact O-N 2.01Å; E496-Y498 PolarHBondContact OE2-OH 3.46Å; Y498-N502 WeakPolarHBondContact CD1-O 3.39Å; Y498-P504 HydrophobicContact CE1-CG 4.41Å; Y498-P504 HydrophobicContact CE2-CG 3.9Å; Y498-P504 VanDerWaalsContact CZ-CD 3.48Å |
| 499 | T | 75.2 | Confident | 62.5 | Low | 76 Ų | 76 | 87.1 Ų | 87.1 | 47% | 0.466 | 48% | 0.478 | S | S | . | . | trans | -106.6 | -11.9 | 177.1 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | M471 | M471-T499 HydrophobicContact CB-CG2 4.31Å; M471-T499 HydrophobicContact CG-CG2 3.83Å; M471-T499 HydrophobicContact SD-CG2 3.97Å | ||
| 500 | L | 66.4 | Low | 60.4 | Low | 121 Ų | 121 | 96.6 Ų | 96.6 | 63% | 0.634 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -115.7 | 158.3 | 179 | -66.1 | 167.7 | 0 | 0 | 0 | 109.2 | T464 N502 | T464-L500 WeakPolarHBondContact CB-O 3.49Å; T464-L500 WeakPolarHBondContact CG2-O 3.46Å; L500-N502 PolarHBondContact O-N 3.36Å |
| 501 | S | 61 | Low | 59 | Low | 87 Ų | 87 | 99.4 Ų | 99.4 | 61% | 0.608 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -60.1 | 9.2 | -178.6 | 50.3 | 0 | 0 | 0 | 0 | 116.3 | T464 C503 | T464-S501 WeakPolarHBondContact OG1-CA 3.34Å; S501-C503 PolarHBondContact O-N 3.41Å |
| 502 | N | 64.4 | Low | 57.3 | Low | 126 Ų | 126 | 106.2 Ų | 106.2 | 67% | 0.674 | 56% | 0.558 | S | S | * | * | trans | -84.1 | 66.9 | 175.3 | -69 | -4 | 0 | 0 | 0 | 110.3 | Y498 L500 | Y498-N502 WeakPolarHBondContact CD1-O 3.39Å; L500-N502 PolarHBondContact O-N 3.36Å | ||
| 503 | C | 63.7 | Low | 55.8 | Low | 31 Ų | 31 | 111.9 Ų | 111.9 | 21% | 0.209 | 58% | 0.578 | C | S | . | * | P | Polyproline II helix | trans | -81.4 | 129.5 | 177.1 | -66.8 | 0 | 0 | 0 | 0 | 110.8 | C460 S461 T464 S501 Q505 | C460-C503 VanDerWaalsContact CA-SG 3.57Å; C460-C503 HydrophobicContact CB-CB 3.46Å; C460-C503 VanDerWaalsContact CB-CB 3.46Å; C460-C503 WeakPolarHBondContact CB-SG 3.31Å; C460-C503 PolarHBondContact O-SG 3.45Å; C460-C503 VanDerWaalsContact SG-CA 3.5Å; C460-C503 WeakPolarHBondContact SG-CB 3.42Å; C460-C503 CovalentContact SG-SG 2Å; C460-C503 PolarHBondContact SG-SG 2.86Å; S461-C503 PolarHBondContact N-SG 2.81Å; T464-C503 PolarHBondContact OG1-SG 3.35Å; S501-C503 PolarHBondContact O-N 3.41Å; C503-Q505 PolarHBondContact O-N 3.23Å |
| 504 | P | 58.9 | Low | 54 | Low | 41 Ų | 41 | 111.4 Ų | 111.4 | 27% | 0.266 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -63 | 123.9 | 170.2 | 26.7 | -32.5 | 0 | 0 | 0 | 108.2 | Y498 S506 | Y498-P504 HydrophobicContact CE1-CG 4.41Å; Y498-P504 HydrophobicContact CE2-CG 3.9Å; Y498-P504 VanDerWaalsContact CZ-CD 3.48Å; P504-S506 PolarHBondContact O-N 3.24Å; P504-S506 VanDerWaalsContact O-N 3.1Å |
| 505 | Q | 50.2 | Low | 51.9 | Low | 190 Ų | 190 | 116.6 Ų | 116.6 | 89% | 0.888 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 118.6 | 176.1 | -72.3 | -176.8 | -19 | 0 | 0 | 109.1 | C503 G507 | C503-Q505 PolarHBondContact O-N 3.23Å; Q505-G507 PolarHBondContact O-N 3.15Å |
| 506 | S | 42.2 | Very low | 50 | Low | 115 Ų | 115 | 121.5 Ų | 121.5 | 80% | 0.804 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -70.5 | 109.3 | 174.2 | 54.7 | 0 | 0 | 0 | 0 | 108.9 | P504 | P504-S506 PolarHBondContact O-N 3.24Å; P504-S506 VanDerWaalsContact O-N 3.1Å |
| 507 | G | 46 | Very low | 47.9 | Very low | 67 Ų | 67 | 126.6 Ų | 126.6 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 73.2 | 86.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q505 | Q505-G507 PolarHBondContact O-N 3.15Š|
| 508 | E | 34.7 | Very low | 45.6 | Very low | 188 Ų | 188 | 128.8 Ų | 128.8 | 88% | 0.879 | 66% | 0.659 | S | S | * | * | S | Bend | -172.1 | 127.2 | 126.4 | -101.6 | 167.3 | -166.2 | 0 | 0 | 108.4 | |||
| 509 | N | 39 | Very low | 43.2 | Very low | 159 Ų | 159 | 132.4 Ų | 132.4 | 85% | 0.85 | 68% | 0.682 | S | S | * | * | trans | 54 | 70.9 | 170.6 | -67.4 | -17.4 | 0 | 0 | 0 | 118.2 | S511 | N509-S511 PolarHBondContact O-N 2.9Š| ||
| 510 | R | 29.2 | Very low | 41 | Very low | 203 Ų | 203 | 136.9 Ų | 136.9 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | trans | -79.3 | 103 | 147.8 | -82.2 | -171.2 | -169.8 | -176.6 | 5.4 | 109.1 | ||||
| 511 | S | 31.3 | Very low | 39.3 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | trans | -49.5 | 138.8 | 164.7 | 51 | 0 | 0 | 0 | 0 | 111.5 | N509 I513 | N509-S511 PolarHBondContact O-N 2.9Å; S511-I513 PolarHBondContact O-N 2.04Å | ||
| 512 | W | 29.6 | Very low | 37.8 | Very low | 214 Ų | 214 | 144.1 Ų | 144.1 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | 20.6 | -169.9 | -81.5 | 84.8 | 0 | 0 | 0 | 119.3 | ||
| 513 | I | 33.1 | Very low | 36.4 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | -14 | -172.6 | -64.6 | 168.1 | 0 | 0 | 0 | 113.3 | S511 | S511-I513 PolarHBondContact O-N 2.04Š|
| 514 | S | 32.6 | Very low | 35 | Very low | 78 Ų | 78 | 148.4 Ų | 148.4 | 55% | 0.545 | 75% | 0.749 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.9 | 9.9 | -178.7 | -164.6 | 0 | 0 | 0 | 0 | 115 | ||
| 515 | L | 30.5 | Very low | 33.7 | Very low | 113 Ų | 113 | 151.8 Ų | 151.8 | 59% | 0.592 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -12.6 | 178.4 | -140.8 | 88.4 | 0 | 0 | 0 | 114.2 | L519 | L515-L519 HydrophobicContact CD2-CD1 4.1Å; L515-L519 HydrophobicContact CG-CD1 4.26Å |
| 516 | R | 31.1 | Very low | 32.6 | Very low | 226 Ų | 226 | 152.7 Ų | 152.7 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -82.2 | -26.3 | -179.8 | -90.2 | -170.7 | -169.8 | -157.6 | 3.5 | 114.3 | ||
| 517 | H | 31.6 | Very low | 31.9 | Very low | 183 Ų | 183 | 157.8 Ų | 157.8 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -92.8 | -9.1 | -179 | -106.5 | -127.7 | 0 | 0 | 0 | 113.9 | ||
| 518 | F | 28.7 | Very low | 31 | Very low | 180 Ų | 180 | 165 Ų | 165 | 79% | 0.789 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -103.4 | 0 | -176.4 | -141.8 | -94.3 | 0 | 0 | 0 | 114 | ||
| 519 | L | 28.8 | Very low | 30.7 | Very low | 134 Ų | 134 | 163 Ų | 163 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -113.7 | 15.8 | -176 | -81.6 | 171.2 | 0 | 0 | 0 | 114.4 | L515 | L515-L519 HydrophobicContact CD2-CD1 4.1Å; L515-L519 HydrophobicContact CG-CD1 4.26Å |
| 520 | M | 27.6 | Very low | 30 | Very low | 171 Ų | 171 | 161.3 Ų | 161.3 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -98.2 | -1.3 | 177.1 | -83.7 | -83 | 171.8 | 0 | 0 | 114.1 | ||
| 521 | D | 31.4 | Very low | 30.2 | Very low | 159 Ų | 159 | 157.2 Ų | 157.2 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -135.4 | 37.1 | -166.8 | -123.4 | 0.1 | 0 | 0 | 0 | 115.7 | ||
| 522 | R | 30.2 | Very low | 30.2 | Very low | 201 Ų | 201 | 158.1 Ų | 158.1 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | trans | -124.9 | 127.2 | 162 | -72.5 | -155.5 | 177.8 | -156.6 | -0.2 | 111.4 | ||||
| 523 | P | 33.4 | Very low | 30.7 | Very low | 119 Ų | 119 | 157.2 Ų | 157.2 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -75.2 | 147.7 | 162 | 33.1 | -28.8 | 0 | 0 | 0 | 108.3 | ||
| 524 | V | 34.8 | Very low | 30.8 | Very low | 127 Ų | 127 | 159.4 Ų | 159.4 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | 84.9 | 68.2 | 179 | -155.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 525 | C | 32.3 | Very low | 30.8 | Very low | 113 Ų | 113 | 163.6 Ų | 163.6 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | -137.6 | 117.1 | 146.2 | -82.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 526 | F | 26.7 | Very low | 30.8 | Very low | 208 Ų | 208 | 164.3 Ų | 164.3 | 91% | 0.912 | 82% | 0.819 | S | S | * | * | trans | -84 | 134.8 | 170.4 | -80.4 | -84.5 | 0 | 0 | 0 | 109.8 | ||||
| 527 | W | 27.1 | Very low | 30.9 | Very low | 223 Ų | 223 | 159.9 Ų | 159.9 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -96.2 | 137.5 | 177.9 | -82.4 | 5.1 | 0 | 0 | 0 | 111.9 | ||||
| 528 | F | 26.9 | Very low | 30.6 | Very low | 217 Ų | 217 | 158.5 Ų | 158.5 | 95% | 0.952 | 82% | 0.819 | S | S | * | * | trans | -115.4 | 130.6 | 150.1 | -88.8 | -84.2 | 0 | 0 | 0 | 108.3 | ||||
| 529 | I | 28.2 | Very low | 30.6 | Very low | 148 Ų | 148 | 155.8 Ų | 155.8 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | trans | -89 | 123.7 | 177.7 | -60.8 | 170.7 | 0 | 0 | 0 | 108.5 | ||||
| 530 | C | 25.4 | Very low | 30.5 | Very low | 123 Ų | 123 | 156.8 Ų | 156.8 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | trans | -117.4 | 131.7 | 163.2 | -105.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 531 | P | 32.8 | Very low | 30.5 | Very low | 116 Ų | 116 | 156.7 Ų | 156.7 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | -90.6 | 106.3 | -179.5 | 32.9 | -28.3 | 0 | 0 | 0 | 110.6 | ||||
| 532 | S | 31.2 | Very low | 30.2 | Very low | 112 Ų | 112 | 158.2 Ų | 158.2 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | S | Bend | trans | 172.7 | 139.3 | 146.6 | 39.5 | 0 | 0 | 0 | 0 | 110.5 | K534 | S532-K534 PolarHBondContact O-N 2.94Å; S532-K534 VanDerWaalsContact O-N 3.11Å |
| 533 | H | 41 | Very low | 30.2 | Very low | 195 Ų | 195 | 153.3 Ų | 153.3 | 90% | 0.903 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -60.2 | 109 | -177.9 | -73.9 | -107.8 | 0 | 0 | 0 | 112 | ||
| 534 | K | 35.3 | Very low | 30 | Very low | 201 Ų | 201 | 153.9 Ų | 153.9 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | -177.1 | 125.6 | 140.5 | -100 | 168.3 | -171.1 | -175.2 | 0 | 108.6 | S532 C536 | S532-K534 PolarHBondContact O-N 2.94Å; S532-K534 VanDerWaalsContact O-N 3.11Å; K534-C536 PolarHBondContact O-N 3.43Å | ||
| 535 | H | 31.5 | Very low | 29.6 | Very low | 167 Ų | 167 | 156.7 Ų | 156.7 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | trans | -65.2 | 113.3 | -178.5 | -66.9 | -93.1 | 0 | 0 | 0 | 111.1 | ||||
| 536 | C | 30.1 | Very low | 29.3 | Very low | 128 Ų | 128 | 158.7 Ų | 158.7 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | trans | -138.1 | 100.6 | 155.3 | -96.6 | 0 | 0 | 0 | 0 | 107.8 | K534 | K534-C536 PolarHBondContact O-N 3.43Š| ||
| 537 | C | 32.9 | Very low | 29.1 | Very low | 133 Ų | 133 | 160 Ų | 160 | 90% | 0.899 | 83% | 0.831 | S | S | * | * | trans | -107.2 | 107.4 | 163.8 | -69.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 538 | L | 26.8 | Very low | 29.1 | Very low | 153 Ų | 153 | 155 Ų | 155 | 80% | 0.801 | 83% | 0.827 | S | S | * | * | trans | -87.7 | 116.1 | 166.4 | -166.9 | 79.3 | 0 | 0 | 0 | 107.4 | L540 | L538-L540 HydrophobicContact CD2-CG 4.25Š| ||
| 539 | C | 28.8 | Very low | 29 | Very low | 124 Ų | 124 | 150.9 Ų | 150.9 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -89.2 | 107.1 | 169.7 | -157.1 | 0 | 0 | 0 | 0 | 107.3 | Q541 | C539-Q541 PolarHBondContact O-N 2.83Š| ||
| 540 | L | 25.2 | Very low | 28.9 | Very low | 154 Ų | 154 | 152 Ų | 152 | 81% | 0.806 | 83% | 0.83 | S | S | * | * | trans | -79.8 | 100.9 | 169.9 | -87.5 | 160.6 | 0 | 0 | 0 | 108.3 | L538 | L538-L540 HydrophobicContact CD2-CG 4.25Š| ||
| 541 | Q | 27.7 | Very low | 29 | Very low | 170 Ų | 170 | 150.5 Ų | 150.5 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | -72.5 | 122.6 | 165.2 | -162.4 | 170.2 | -4.8 | 0 | 0 | 107.3 | C539 S543 | C539-Q541 PolarHBondContact O-N 2.83Å; Q541-S543 PolarHBondContact O-N 3.32Å | ||
| 542 | M | 25.5 | Very low | 29.4 | Very low | 191 Ų | 191 | 151.2 Ų | 151.2 | 94% | 0.941 | 83% | 0.831 | S | S | * | * | trans | -75.8 | 77.9 | 177.7 | -149.2 | 145.8 | 72.5 | 0 | 0 | 109 | ||||
| 543 | S | 29.9 | Very low | 29.2 | Very low | 98 Ų | 98 | 149.2 Ų | 149.2 | 69% | 0.685 | 83% | 0.828 | S | S | * | * | trans | -80.6 | 111.1 | 164.4 | 50.6 | 0 | 0 | 0 | 0 | 108.3 | Q541 Q545 | Q541-S543 PolarHBondContact O-N 3.32Å; S543-Q545 PolarHBondContact O-N 3.46Å | ||
| 544 | V | 29.3 | Very low | 28.6 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 79% | 0.788 | 82% | 0.82 | S | S | * | * | trans | -70.2 | 97.1 | 169.6 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 545 | Q | 27.7 | Very low | 28.1 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | trans | -140.1 | 102.3 | 157 | -115.3 | 179.5 | -5.4 | 0 | 0 | 108.1 | S543 | S543-Q545 PolarHBondContact O-N 3.46Š| ||
| 546 | I | 25.9 | Very low | 27.9 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | trans | -85.9 | 114.1 | 172.9 | -62.6 | 171.6 | 0 | 0 | 0 | 107.7 | ||||
| 547 | R | 22.5 | Very low | 27.7 | Very low | 236 Ų | 236 | 142.6 Ų | 142.6 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -138 | 138 | 144.5 | -91.8 | -169.7 | -172.4 | -138 | 0.9 | 109 | ||||
| 548 | P | 27.2 | Very low | 27.4 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -86.9 | 134.8 | -169.5 | 33.9 | -32.5 | 0 | 0 | 0 | 111.3 | ||||
| 549 | C | 24.4 | Very low | 28.3 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -107.1 | 123.3 | 164.4 | -75.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 550 | L | 26.8 | Very low | 28.1 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -61.2 | 145.3 | 164 | -81.9 | 98.8 | 0 | 0 | 0 | 110.7 | ||||
| 551 | A | 26.1 | Very low | 28 | Very low | 90 Ų | 90 | 145.7 Ų | 145.7 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -89.6 | -172.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 552 | P | 42.5 | Very low | 27.8 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | -134.5 | 173.6 | -59.6 | 35.8 | -19.1 | 0 | 0 | 0 | 113.2 | |||||
| 553 | G | 26.4 | Very low | 27.8 | Very low | 70 Ų | 70 | 137.2 Ų | 137.2 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -173.8 | 97.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 554 | L | 27.2 | Very low | 27.7 | Very low | 138 Ų | 138 | 144 Ų | 144 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | 67.2 | 117.7 | 91.9 | -121.5 | 97.2 | 0 | 0 | 0 | 115.8 | |||||
| 555 | F | 26.4 | Very low | 27.5 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | 158.1 | 96.5 | 124.2 | -90 | -78.5 | 0 | 0 | 0 | 110.3 | |||||
| 556 | I | 26.7 | Very low | 27.4 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | 75.1 | 110.7 | 96 | -64.1 | 179.8 | 0 | 0 | 0 | 114.6 | |||||
| 557 | A | 26.7 | Very low | 27.4 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | -164.9 | 124 | 117.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 558 | K | 24.9 | Very low | 27.8 | Very low | 201 Ų | 201 | 133.7 Ų | 133.7 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -144.3 | 178.3 | 170.7 | -112.4 | -171.1 | -175.4 | 178.3 | 0 | 104 | ||||
| 559 | P | 47 | Very low | 27.8 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | cis | -140.7 | -163.8 | -26.7 | 35 | -13.6 | 0 | 0 | 0 | 110.6 | ||||
| 560 | L | 23.6 | Very low | 28 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 169.7 | 131.7 | 141 | -100.4 | 126.7 | 0 | 0 | 0 | 106.9 | ||||
| 561 | F | 23.4 | Very low | 28.1 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | cis | -162.9 | 133.3 | 10.8 | -143 | -127 | 0 | 0 | 0 | 106.4 | ||||
| 562 | S | 23.3 | Very low | 28.2 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | 67.6 | 138.6 | 99.5 | -166.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 563 | S | 25.2 | Very low | 27.5 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | cis | -175 | 144.7 | -9 | 53.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 564 | R | 28.4 | Very low | 27.6 | Very low | 241 Ų | 241 | 147.3 Ų | 147.3 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | 62.9 | 134.7 | 147.2 | -71.5 | 179.8 | 177.9 | 179.6 | -0.2 | 122.3 | ||||
| 565 | A | 25.9 | Very low | 27.9 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | 110.1 | 120.8 | 137.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 566 | C | 25.8 | Very low | 28.2 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 86% | 0.858 | 79% | 0.79 | S | S | * | * | trans | -65 | 141.1 | 174.1 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 567 | V | 25.6 | Very low | 29 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | -138.1 | 125.8 | 144 | -174.8 | 0 | 0 | 0 | 0 | 107.3 | V569 | V567-V569 HydrophobicContact CG1-CG2 3.78Š| ||
| 568 | C | 30.2 | Very low | 30.2 | Very low | 134 Ų | 134 | 142 Ų | 142 | 91% | 0.905 | 77% | 0.771 | S | S | * | * | trans | -85.8 | 118.3 | 169.6 | -152.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 569 | V | 28 | Very low | 32 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | -135 | 140.5 | 164.5 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | V567 | V567-V569 HydrophobicContact CG1-CG2 3.78Š| ||
| 570 | T | 29.2 | Very low | 32.9 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | trans | -63.3 | 146.6 | -169.3 | 45.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 571 | R | 27.2 | Very low | 35.4 | Very low | 221 Ų | 221 | 128.7 Ų | 128.7 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | trans | 57.1 | 122.4 | 140.7 | -78.2 | -168.1 | 165.4 | 170.8 | -3.6 | 122.6 | ||||
| 572 | F | 29 | Very low | 37.8 | Very low | 188 Ų | 188 | 121.5 Ų | 121.5 | 83% | 0.825 | 67% | 0.672 | S | S | * | * | trans | 53.8 | 143.7 | 136 | -68.9 | -72.9 | 0 | 0 | 0 | 119.6 | ||||
| 573 | V | 27.3 | Very low | 40.3 | Very low | 113 Ų | 113 | 120 Ų | 120 | 69% | 0.685 | 67% | 0.672 | S | S | * | * | cis | -158.3 | 148.3 | 29.7 | 174.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 574 | Y | 29.5 | Very low | 42.8 | Very low | 234 Ų | 234 | 115.9 Ų | 115.9 | 92% | 0.918 | 64% | 0.643 | S | S | * | * | trans | -139 | 130.5 | 145.8 | -83.9 | -77.4 | 0 | 0 | 0 | 110 | ||||
| 575 | S | 33.6 | Very low | 45.3 | Very low | 114 Ų | 114 | 105.7 Ų | 105.7 | 80% | 0.797 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 133.9 | -177.4 | 49.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 576 | L | 32.7 | Very low | 47.5 | Very low | 160 Ų | 160 | 108.9 Ų | 108.9 | 84% | 0.838 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 152.3 | 171.7 | -84.8 | 152.3 | 0 | 0 | 0 | 110.1 | ||
| 577 | P | 43 | Very low | 49.5 | Very low | 124 Ų | 124 | 105.4 Ų | 105.4 | 81% | 0.805 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 142.9 | -176.8 | 28.5 | -30.4 | 0 | 0 | 0 | 111.1 | C579 | P577-C579 PolarHBondContact O-N 3.01Š|
| 578 | A | 52.3 | Low | 51.3 | Low | 42 Ų | 42 | 102.9 Ų | 102.9 | 35% | 0.347 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -86.5 | 2 | -151.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | E590 | A578-E590 HydrophobicContact CB-CB 3.71Å; A578-E590 HydrophobicContact CB-CG 3.44Å; A578-E590 VanDerWaalsContact CB-CG 3.44Å; A578-E590 CarbonylContact O-C 3.55Å; A578-E590 WeakPolarHBondContact O-CA 3.41Å |
| 579 | C | 62.3 | Low | 52.7 | Low | 36 Ų | 36 | 102.6 Ų | 102.6 | 24% | 0.243 | 56% | 0.556 | C | S | . | * | trans | -174.7 | 142.4 | 168.9 | 152.2 | 0 | 0 | 0 | 0 | 112.5 | P577 C587 | P577-C579 PolarHBondContact O-N 3.01Å; C579-C587 VanDerWaalsContact C-SG 3.57Å; C579-C587 HydrophobicContact CB-CB 3.55Å; C579-C587 WeakPolarHBondContact CB-SG 3.05Å; C579-C587 PolarHBondContact O-SG 2.92Å; C579-C587 WeakPolarHBondContact SG-CB 3.28Å; C579-C587 CovalentContact SG-SG 2.03Å; C579-C587 PolarHBondContact SG-SG 3.45Å | ||
| 580 | Q | 65.9 | Low | 54.1 | Low | 134 Ų | 134 | 104.4 Ų | 104.4 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | trans | -124.9 | 98.6 | -178.7 | -179.4 | 76.8 | -65.2 | 0 | 0 | 109.2 | N582 | Q580-N582 PolarHBondContact O-N 3.22Š| ||
| 581 | C | 75 | Confident | 55.7 | Low | 5 Ų | 5 | 102 Ų | 102 | 3% | 0.034 | 55% | 0.545 | C | S | . | . | trans | -83.8 | 27.4 | -178.8 | -61.8 | 0 | 0 | 0 | 0 | 114.2 | G583 H584 S585 C587 C593 H604 | C581-G583 PolarHBondContact O-N 2.82Å; C581-H584 PolarHBondContact O-N 2.64Å; C581-S585 WeakPolarHBondContact CB-O 3.32Å; C581-C587 PolarHBondContact SG-SG 2.92Å; C581-C593 WeakPolarHBondContact CA-SG 3.2Å; C581-C593 HydrophobicContact CB-CB 3.93Å; C581-C593 WeakPolarHBondContact CB-SG 3.33Å; C581-C593 WeakPolarHBondContact SG-CB 3.37Å; C581-C593 CovalentContact SG-SG 2Å; C581-C593 PolarHBondContact SG-SG 2.86Å; C581-H604 CarbonylContact C-O 3.28Å; C581-H604 WeakPolarHBondContact CA-O 3.35Å | ||
| 582 | N | 75.1 | Confident | 57.5 | Low | 23 Ų | 23 | 94.9 Ų | 94.9 | 12% | 0.123 | 53% | 0.526 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 18.8 | -174.4 | -67.2 | -69.6 | 0 | 0 | 0 | 115.4 | Q580 H584 H604 N618 G619 | Q580-N582 PolarHBondContact O-N 3.22Å; N582-H584 PolarHBondContact O-CD2 3.42Å; N582-H604 PolarHBondContact ND2-O 3.29Å; N582-N618 CarbonylContact O-C 3.5Å; N582-G619 PolarHBondContact O-N 2.79Å |
| 583 | G | 75 | Confident | 59.8 | Low | 61 Ų | 61 | 86.5 Ų | 86.5 | 63% | 0.629 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | 2.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116 | C581 | C581-G583 PolarHBondContact O-N 2.82Š|
| 584 | H | 78.6 | Confident | 61.8 | Low | 5 Ų | 5 | 87 Ų | 87 | 2% | 0.023 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -112 | 9 | -172.7 | -60.9 | -67.7 | 0 | 0 | 0 | 114.6 | C581 N582 E597 D598 T600 C605 P616 G620 | C581-H584 PolarHBondContact O-N 2.64Å; N582-H584 PolarHBondContact O-CD2 3.42Å; H584-E597 WeakPolarHBondContact O-CB 3.23Å; H584-E597 PolarHBondContact O-N 2.8Å; H584-D598 IonicContact CE1-OD2 2.6Å; H584-D598 IonicContact CG-OD2 2.89Å; H584-D598 WeakPolarHBondContact ND1-CB 3.44Å; H584-D598 IonicContact ND1-OD2 3.81Å; H584-D598 PolarHBondContact ND1-OD2 2.89Å; H584-T600 WeakPolarHBondContact CB-OG1 3.18Å; H584-C605 HydrophobicContact CB-CB 3.9Å; H584-P616 PolarHBondContact CD2-O 2.86Å; H584-P616 PolarHBondContact NE2-O 3.27Å; H584-P616 VanDerWaalsContact NE2-O 3.15Å; H584-G620 PolarHBondContact CE1-O 3.2Å; H584-G620 PolarHBondContact NE2-O 3.2Å; H584-G620 VanDerWaalsContact NE2-O 3.15Å |
| 585 | S | 80.9 | Confident | 64.1 | Low | 27 Ų | 27 | 83.7 Ų | 83.7 | 19% | 0.189 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -166.9 | 173.2 | 177.8 | -169.8 | 0 | 0 | 0 | 0 | 112 | C581 E594 K595 | C581-S585 WeakPolarHBondContact CB-O 3.32Å; S585-E594 PolarHBondContact OG-O 3.14Å; S585-E594 VanDerWaalsContact OG-O 3.07Å; S585-K595 VanDerWaalsContact CB-O 3.26Å; S585-K595 WeakPolarHBondContact CB-O 3.43Å; S585-K595 PolarHBondContact OG-O 3.3Å |
| 586 | Q | 72.4 | Confident | 66.3 | Low | 168 Ų | 168 | 80 Ų | 80 | 79% | 0.785 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 144.6 | 172.8 | -62.5 | -177 | 7.5 | 0 | 0 | 110.9 | E594 | Q586-E594 PolarHBondContact O-N 2.82Å; Q586-E594 VanDerWaalsContact O-N 3.09Å |
| 587 | C | 67.7 | Low | 68.6 | Low | 55 Ų | 55 | 78.7 Ų | 78.7 | 37% | 0.372 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 137.7 | -175.5 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | C579 C581 | C579-C587 VanDerWaalsContact C-SG 3.57Å; C579-C587 HydrophobicContact CB-CB 3.55Å; C579-C587 WeakPolarHBondContact CB-SG 3.05Å; C579-C587 PolarHBondContact O-SG 2.92Å; C579-C587 WeakPolarHBondContact SG-CB 3.28Å; C579-C587 CovalentContact SG-SG 2.03Å; C579-C587 PolarHBondContact SG-SG 3.45Å; C581-C587 PolarHBondContact SG-SG 2.92Å |
| 588 | V | 62.4 | Low | 70.5 | Confident | 75 Ų | 75 | 77.4 Ų | 77.4 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -109.2 | -33.1 | -177.8 | 177.7 | 0 | 0 | 0 | 0 | 113.4 | E594 | V588-E594 HydrophobicContact CB-CB 4.2Å; V588-E594 HydrophobicContact CG2-CB 3.3Å; V588-E594 HydrophobicContact CG2-CG 4.02Å; V588-E594 VanDerWaalsContact CG2-OE2 3.26Å; V588-E594 WeakPolarHBondContact CG2-OE2 3.43Å |
| 589 | N | 59.1 | Low | 72.2 | Confident | 128 Ų | 128 | 79.1 Ų | 79.1 | 68% | 0.684 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -147.4 | 82 | 177.8 | -78.6 | -37.1 | 0 | 0 | 0 | 110.9 | S591 | N589-S591 PolarHBondContact O-N 3.39Å; N589-S591 PolarHBondContact O-OG 3.2Å; N589-S591 VanDerWaalsContact O-OG 3.13Å |
| 590 | E | 58.7 | Low | 73.2 | Confident | 159 Ų | 159 | 77.6 Ų | 77.6 | 74% | 0.743 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 37.6 | 15.1 | 165.5 | -58.3 | -156.5 | 153.3 | 0 | 0 | 119.8 | A578 | A578-E590 HydrophobicContact CB-CB 3.71Å; A578-E590 HydrophobicContact CB-CG 3.44Å; A578-E590 VanDerWaalsContact CB-CG 3.44Å; A578-E590 CarbonylContact O-C 3.55Å; A578-E590 WeakPolarHBondContact O-CA 3.41Å |
| 591 | S | 62.3 | Low | 74.1 | Confident | 71 Ų | 71 | 74.5 Ų | 74.5 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -169.7 | -10.7 | -176 | 58.9 | 0 | 0 | 0 | 0 | 115.6 | N589 H604 | N589-S591 PolarHBondContact O-N 3.39Å; N589-S591 PolarHBondContact O-OG 3.2Å; N589-S591 VanDerWaalsContact O-OG 3.13Å; S591-H604 PolarHBondContact O-CE1 3.27Å |
| 592 | V | 64.5 | Low | 74.4 | Confident | 70 Ų | 70 | 76 Ų | 76 | 42% | 0.424 | 42% | 0.424 | S | S | . | . | trans | -140.8 | 135.9 | -178.9 | -173.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 593 | C | 77.9 | Confident | 74.7 | Confident | 13 Ų | 13 | 83.5 Ų | 83.5 | 9% | 0.088 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 134.1 | 178.7 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | C581 K595 R603 | C581-C593 WeakPolarHBondContact CA-SG 3.2Å; C581-C593 HydrophobicContact CB-CB 3.93Å; C581-C593 WeakPolarHBondContact CB-SG 3.33Å; C581-C593 WeakPolarHBondContact SG-CB 3.37Å; C581-C593 CovalentContact SG-SG 2Å; C581-C593 PolarHBondContact SG-SG 2.86Å; C593-K595 PolarHBondContact O-N 3.5Å; C593-R603 PolarHBondContact N-O 3.39Å; C593-R603 VanDerWaalsContact N-O 3.1Å; C593-R603 PolarHBondContact SG-O 3.28Å |
| 594 | E | 69.3 | Low | 75 | Confident | 122 Ų | 122 | 83.9 Ų | 83.9 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 95.5 | 179.9 | -166.8 | -177.3 | -135.5 | 0 | 0 | 109.7 | S585 Q586 V588 | S585-E594 PolarHBondContact OG-O 3.14Å; S585-E594 VanDerWaalsContact OG-O 3.07Å; Q586-E594 PolarHBondContact O-N 2.82Å; Q586-E594 VanDerWaalsContact O-N 3.09Å; V588-E594 HydrophobicContact CB-CB 4.2Å; V588-E594 HydrophobicContact CG2-CB 3.3Å; V588-E594 HydrophobicContact CG2-CG 4.02Å; V588-E594 VanDerWaalsContact CG2-OE2 3.26Å; V588-E594 WeakPolarHBondContact CG2-OE2 3.43Å |
| 595 | K | 77.7 | Confident | 75.3 | Confident | 166 Ų | 166 | 83.6 Ų | 83.6 | 72% | 0.722 | 44% | 0.435 | S | S | * | . | S | Bend | trans | 74.8 | 103.5 | 178.9 | -54.5 | 168.5 | -176.1 | 168.4 | 0 | 114.1 | S585 C593 | S585-K595 VanDerWaalsContact CB-O 3.26Å; S585-K595 WeakPolarHBondContact CB-O 3.43Å; S585-K595 PolarHBondContact OG-O 3.3Å; C593-K595 PolarHBondContact O-N 3.5Å |
| 596 | C | 79.6 | Confident | 75.4 | Confident | 36 Ų | 36 | 86 Ų | 86 | 24% | 0.243 | 44% | 0.443 | C | S | . | . | trans | -73.8 | 124.5 | 173.6 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | T600 C605 | C596-T600 WeakPolarHBondContact CB-O 3.45Å; C596-T600 WeakPolarHBondContact CB-OG1 3.42Å; C596-C605 WeakPolarHBondContact CA-SG 3.47Å; C596-C605 HydrophobicContact CB-CB 3.73Å; C596-C605 WeakPolarHBondContact CB-SG 3.36Å; C596-C605 WeakPolarHBondContact SG-CA 3.12Å; C596-C605 WeakPolarHBondContact SG-CB 3.39Å; C596-C605 CovalentContact SG-SG 2.04Å; C596-C605 PolarHBondContact SG-SG 2.87Å | ||
| 597 | E | 81.9 | Confident | 76.1 | Confident | 132 Ų | 132 | 80.5 Ų | 80.5 | 62% | 0.617 | 42% | 0.423 | S | S | * | . | trans | -90.7 | -177.2 | 175.2 | -58.5 | -170.3 | 164.1 | 0 | 0 | 110.5 | H584 L599 T600 | H584-E597 WeakPolarHBondContact O-CB 3.23Å; H584-E597 PolarHBondContact O-N 2.8Å; E597-L599 VanDerWaalsContact C-N 3.27Å; E597-L599 PolarHBondContact O-N 2.9Å; E597-L599 VanDerWaalsContact O-N 3.13Å; E597-T600 PolarHBondContact O-N 3.39Å; E597-T600 VanDerWaalsContact O-N 3.15Å; E597-T600 PolarHBondContact O-OG1 2.81Å | ||
| 598 | D | 82.1 | Confident | 77.1 | Confident | 97 Ų | 97 | 78 Ų | 78 | 52% | 0.519 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 34.7 | 175.8 | -54 | -42.7 | 0 | 0 | 0 | 116.1 | H584 T600 | H584-D598 IonicContact CE1-OD2 2.6Å; H584-D598 IonicContact CG-OD2 2.89Å; H584-D598 WeakPolarHBondContact ND1-CB 3.44Å; H584-D598 IonicContact ND1-OD2 3.81Å; H584-D598 PolarHBondContact ND1-OD2 2.89Å; D598-T600 PolarHBondContact O-N 3.35Å |
| 599 | L | 87.2 | Confident | 78.3 | Confident | 79 Ų | 79 | 77 Ų | 77 | 41% | 0.414 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 31 | 177.5 | -48 | 164.3 | 0 | 0 | 0 | 112.7 | E597 I609 F612 C622 | E597-L599 VanDerWaalsContact C-N 3.27Å; E597-L599 PolarHBondContact O-N 2.9Å; E597-L599 VanDerWaalsContact O-N 3.13Å; L599-I609 HydrophobicContact CB-CD1 3.9Å; L599-I609 HydrophobicContact CB-CG1 4.06Å; L599-I609 HydrophobicContact CD2-CD1 3.7Å; L599-I609 HydrophobicContact CG-CD1 4.44Å; L599-I609 WeakPolarHBondContact O-CG1 3.44Å; L599-I609 PolarHBondContact O-N 3.05Å; L599-F612 HydrophobicContact CD1-CD1 3.77Å; L599-F612 HydrophobicContact CD1-CE1 3.56Å; L599-F612 HydrophobicContact CD1-CZ 4.16Å; L599-F612 HydrophobicContact CD2-CZ 4.32Å; L599-C622 HydrophobicContact CB-CB 4.21Å |
| 600 | T | 84.6 | Confident | 79.6 | Confident | 4 Ų | 4 | 75.3 Ų | 75.3 | 3% | 0.025 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 161.3 | 177.5 | 66.8 | 0 | 0 | 0 | 0 | 112.6 | H584 C596 E597 D598 C605 S607 I609 P616 | H584-T600 WeakPolarHBondContact CB-OG1 3.18Å; C596-T600 WeakPolarHBondContact CB-O 3.45Å; C596-T600 WeakPolarHBondContact CB-OG1 3.42Å; E597-T600 PolarHBondContact O-N 3.39Å; E597-T600 VanDerWaalsContact O-N 3.15Å; E597-T600 PolarHBondContact O-OG1 2.81Å; D598-T600 PolarHBondContact O-N 3.35Å; T600-C605 WeakPolarHBondContact OG1-CB 3.46Å; T600-S607 CarbonylContact C-O 3.51Å; T600-S607 VanDerWaalsContact CA-O 3.25Å; T600-S607 WeakPolarHBondContact CA-O 3.07Å; T600-I609 WeakPolarHBondContact O-CG2 3.33Å; T600-P616 HydrophobicContact CG2-CB 3.47Å; T600-P616 VanDerWaalsContact CG2-CB 3.47Å; T600-P616 HydrophobicContact CG2-CG 4.43Å |
| 601 | T | 84.6 | Confident | 80.9 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 42% | 0.423 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 166.5 | -177.2 | -160 | 0 | 0 | 0 | 0 | 110.5 | C605 E606 S607 I609 | T601-C605 CarbonylContact O-C 3.55Å; T601-E606 PolarHBondContact O-N 3.46Å; T601-S607 PolarHBondContact N-O 3Å; T601-S607 PolarHBondContact O-N 3.08Å; T601-S607 VanDerWaalsContact O-O 3.05Å; T601-I609 HydrophobicContact CG2-CG2 4.47Å |
| 602 | G | 81.7 | Confident | 82.1 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 37% | 0.371 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 113.3 | 175 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H604 E606 | G602-H604 PolarHBondContact O-N 2.87Å; G602-E606 VanDerWaalsContact C-OE2 3.32Å; G602-E606 WeakPolarHBondContact CA-OE2 2.88Å |
| 603 | R | 80.7 | Confident | 83.2 | Confident | 180 Ų | 180 | 66.4 Ų | 66.4 | 68% | 0.679 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -73.3 | -22.5 | -176.7 | -79.6 | -171.5 | -91.9 | -176.2 | -6.8 | 112.7 | C593 E606 | C593-R603 PolarHBondContact N-O 3.39Å; C593-R603 VanDerWaalsContact N-O 3.1Å; C593-R603 PolarHBondContact SG-O 3.28Å; R603-E606 PolarHBondContact N-OE1 2.85Å; R603-E606 PolarHBondContact N-OE2 3.35Å; R603-E606 VanDerWaalsContact N-OE2 3.12Å |
| 604 | H | 82.1 | Confident | 83.6 | Confident | 69 Ų | 69 | 66.9 Ų | 66.9 | 32% | 0.319 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -125.9 | 17.6 | 179.5 | -59.1 | -66 | 0 | 0 | 0 | 112.5 | C581 N582 S591 G602 E606 | C581-H604 CarbonylContact C-O 3.28Å; C581-H604 WeakPolarHBondContact CA-O 3.35Å; N582-H604 PolarHBondContact ND2-O 3.29Å; S591-H604 PolarHBondContact O-CE1 3.27Å; G602-H604 PolarHBondContact O-N 2.87Å; H604-E606 VanDerWaalsContact CA-OE2 3.24Å; H604-E606 WeakPolarHBondContact CA-OE2 3.45Å; H604-E606 PolarHBondContact N-OE2 2.8Å; H604-E606 PolarHBondContact O-N 2.82Å |
| 605 | C | 84.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 58.2 | 35.9 | -175.4 | -47.8 | 0 | 0 | 0 | 0 | 113.3 | H584 C596 T600 T601 | H584-C605 HydrophobicContact CB-CB 3.9Å; C596-C605 WeakPolarHBondContact CA-SG 3.47Å; C596-C605 HydrophobicContact CB-CB 3.73Å; C596-C605 WeakPolarHBondContact CB-SG 3.36Å; C596-C605 WeakPolarHBondContact SG-CA 3.12Å; C596-C605 WeakPolarHBondContact SG-CB 3.39Å; C596-C605 CovalentContact SG-SG 2.04Å; C596-C605 PolarHBondContact SG-SG 2.87Å; T600-C605 WeakPolarHBondContact OG1-CB 3.46Å; T601-C605 CarbonylContact O-C 3.55Å |
| 606 | E | 83.5 | Confident | 84.4 | Confident | 77 Ų | 77 | 58.3 Ų | 58.3 | 36% | 0.36 | 32% | 0.317 | S | S | . | . | trans | -87.1 | -1.3 | -171.8 | 70.1 | -85.3 | -159.9 | 0 | 0 | 114.6 | T601 G602 R603 H604 P616 | T601-E606 PolarHBondContact O-N 3.46Å; G602-E606 VanDerWaalsContact C-OE2 3.32Å; G602-E606 WeakPolarHBondContact CA-OE2 2.88Å; R603-E606 PolarHBondContact N-OE1 2.85Å; R603-E606 PolarHBondContact N-OE2 3.35Å; R603-E606 VanDerWaalsContact N-OE2 3.12Å; H604-E606 VanDerWaalsContact CA-OE2 3.24Å; H604-E606 WeakPolarHBondContact CA-OE2 3.45Å; H604-E606 PolarHBondContact N-OE2 2.8Å; H604-E606 PolarHBondContact O-N 2.82Å; E606-P616 VanDerWaalsContact C-CG 3.44Å; E606-P616 WeakPolarHBondContact O-CG 3.47Å | ||
| 607 | S | 86.3 | Confident | 84.5 | Confident | 52 Ų | 52 | 59.4 Ų | 59.4 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 153.6 | -177.9 | -68.3 | 0 | 0 | 0 | 0 | 111.6 | T600 T601 | T600-S607 CarbonylContact C-O 3.51Å; T600-S607 VanDerWaalsContact CA-O 3.25Å; T600-S607 WeakPolarHBondContact CA-O 3.07Å; T601-S607 PolarHBondContact N-O 3Å; T601-S607 PolarHBondContact O-N 3.08Å; T601-S607 VanDerWaalsContact O-O 3.05Å |
| 608 | C | 88.3 | Confident | 84.1 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 3% | 0.027 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 149 | 173.9 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | F612 C622 | C608-F612 HydrophobicContact CB-CB 4.08Å; C608-F612 WeakPolarHBondContact CB-O 3.32Å; C608-C622 WeakPolarHBondContact CA-SG 3.25Å; C608-C622 HydrophobicContact CB-CB 3.79Å; C608-C622 WeakPolarHBondContact CB-SG 3.37Å; C608-C622 WeakPolarHBondContact SG-CB 3.38Å; C608-C622 CovalentContact SG-SG 2.03Å; C608-C622 PolarHBondContact SG-SG 3.1Å |
| 609 | I | 88.6 | Confident | 83.7 | Confident | 53 Ų | 53 | 57.2 Ų | 57.2 | 27% | 0.272 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 156.7 | 171.9 | 64.8 | 177.8 | 0 | 0 | 0 | 111 | L599 T600 T601 G611 F612 | L599-I609 HydrophobicContact CB-CD1 3.9Å; L599-I609 HydrophobicContact CB-CG1 4.06Å; L599-I609 HydrophobicContact CD2-CD1 3.7Å; L599-I609 HydrophobicContact CG-CD1 4.44Å; L599-I609 WeakPolarHBondContact O-CG1 3.44Å; L599-I609 PolarHBondContact O-N 3.05Å; T600-I609 WeakPolarHBondContact O-CG2 3.33Å; T601-I609 HydrophobicContact CG2-CG2 4.47Å; I609-G611 PolarHBondContact O-N 2.83Å; I609-F612 HydrophobicContact CD1-CD2 3.83Å; I609-F612 HydrophobicContact CD1-CE2 3.89Å; I609-F612 HydrophobicContact CG1-CB 4.36Å; I609-F612 HydrophobicContact CG1-CD2 3.5Å; I609-F612 HydrophobicContact CG1-CE2 4.1Å; I609-F612 HydrophobicContact CG1-CG 4.15Å; I609-F612 PolarHBondContact O-N 3.36Å |
| 610 | S | 86.3 | Confident | 83.3 | Confident | 92 Ų | 92 | 54.6 Ų | 54.6 | 64% | 0.643 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.6 | 125 | 173.6 | -68.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 611 | G | 84.9 | Confident | 83.1 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 13% | 0.134 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | 2.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I609 C625 S632 | I609-G611 PolarHBondContact O-N 2.83Å; G611-C625 PolarHBondContact O-N 2Å; G611-C625 PolarHBondContact O-SG 3.43Å; G611-S632 WeakPolarHBondContact CA-O 3.46Å |
| 612 | F | 87.4 | Confident | 83.3 | Confident | 49 Ų | 49 | 55.8 Ų | 55.8 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 153.7 | 176.2 | -63.7 | -102.6 | 0 | 0 | 0 | 111.1 | L599 C608 I609 C622 Q623 P624 | L599-F612 HydrophobicContact CD1-CD1 3.77Å; L599-F612 HydrophobicContact CD1-CE1 3.56Å; L599-F612 HydrophobicContact CD1-CZ 4.16Å; L599-F612 HydrophobicContact CD2-CZ 4.32Å; C608-F612 HydrophobicContact CB-CB 4.08Å; C608-F612 WeakPolarHBondContact CB-O 3.32Å; I609-F612 HydrophobicContact CD1-CD2 3.83Å; I609-F612 HydrophobicContact CD1-CE2 3.89Å; I609-F612 HydrophobicContact CG1-CB 4.36Å; I609-F612 HydrophobicContact CG1-CD2 3.5Å; I609-F612 HydrophobicContact CG1-CE2 4.1Å; I609-F612 HydrophobicContact CG1-CG 4.15Å; I609-F612 PolarHBondContact O-N 3.36Å; F612-C622 HydrophobicContact CB-CB 4.17Å; F612-Q623 CarbonylContact C-O 3.54Å; F612-Q623 WeakPolarHBondContact CA-O 3.38Å; F612-Q623 WeakPolarHBondContact CB-O 3.25Å; F612-P624 HydrophobicContact CD1-CB 4.06Å; F612-P624 HydrophobicContact CE1-CB 3.79Å; F612-P624 HydrophobicContact CE1-CG 4.46Å; F612-P624 HydrophobicContact CZ-CB 4.47Å |
| 613 | Y | 88.6 | Confident | 83.5 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 20% | 0.2 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 154 | 179.4 | 77.4 | -75.7 | 0 | 0 | 0 | 112.1 | Q623 N635 P636 G639 | Y613-Q623 WeakPolarHBondContact CD1-O 3.45Å; Y613-Q623 HydrophobicContact CE1-CB 4.35Å; Y613-Q623 PolarHBondContact N-O 2.62Å; Y613-Q623 PolarHBondContact O-N 2.77Å; Y613-N635 WeakPolarHBondContact CB-O 3.48Å; Y613-P636 CarbonylContact C-O 3.58Å; Y613-P636 WeakPolarHBondContact CA-O 3.42Å; Y613-P636 WeakPolarHBondContact CB-O 3.27Å; Y613-G639 VanDerWaalsContact CD2-N 3.34Å |
| 614 | G | 85.7 | Confident | 83.9 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 25% | 0.247 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 151.6 | -169.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P636 | G614-P636 PolarHBondContact N-O 3.48Š|
| 615 | D | 85 | Confident | 84.2 | Confident | 102 Ų | 102 | 51.3 Ų | 51.3 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | trans | -113 | 104.4 | 174.2 | -173.3 | -9.3 | 0 | 0 | 0 | 109 | T617 G620 | D615-T617 VanDerWaalsContact C-N 3.29Å; D615-T617 WeakPolarHBondContact OD1-CB 3.32Å; D615-T617 WeakPolarHBondContact OD1-CG2 3.43Å; D615-T617 PolarHBondContact OD1-N 2.76Å; D615-T617 PolarHBondContact OD1-OG1 3.01Å; D615-T617 PolarHBondContact OD2-OG1 3Å; D615-G620 CarbonylContact O-C 3.56Å; D615-G620 VanDerWaalsContact O-CA 3.3Å; D615-G620 WeakPolarHBondContact O-CA 3.45Å | ||
| 616 | P | 79.5 | Confident | 84.5 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.032 | 34% | 0.34 | C | S | . | . | trans | -87.5 | 9.1 | 179.2 | 35.5 | -35.5 | 0 | 0 | 0 | 113.2 | H584 T600 E606 | H584-P616 PolarHBondContact CD2-O 2.86Å; H584-P616 PolarHBondContact NE2-O 3.27Å; H584-P616 VanDerWaalsContact NE2-O 3.15Å; T600-P616 HydrophobicContact CG2-CB 3.47Å; T600-P616 VanDerWaalsContact CG2-CB 3.47Å; T600-P616 HydrophobicContact CG2-CG 4.43Å; E606-P616 VanDerWaalsContact C-CG 3.44Å; E606-P616 WeakPolarHBondContact O-CG 3.47Å | ||
| 617 | T | 81.8 | Confident | 84.7 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 36% | 0.362 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 139.4 | 178.6 | 63 | 0 | 0 | 0 | 0 | 111.3 | D615 G619 G620 | D615-T617 VanDerWaalsContact C-N 3.29Å; D615-T617 WeakPolarHBondContact OD1-CB 3.32Å; D615-T617 WeakPolarHBondContact OD1-CG2 3.43Å; D615-T617 PolarHBondContact OD1-N 2.76Å; D615-T617 PolarHBondContact OD1-OG1 3.01Å; D615-T617 PolarHBondContact OD2-OG1 3Å; T617-G619 PolarHBondContact O-N 2.81Å; T617-G620 PolarHBondContact O-N 2.78Å |
| 618 | N | 74.2 | Confident | 84.7 | Confident | 134 Ų | 134 | 54.5 Ų | 54.5 | 72% | 0.717 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 41.2 | 178.6 | -54.9 | -53.7 | 0 | 0 | 0 | 115.7 | N582 | N582-N618 CarbonylContact O-C 3.5Š|
| 619 | G | 73.5 | Confident | 84.6 | Confident | 50 Ų | 50 | 58 Ų | 58 | 52% | 0.515 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 83.1 | 21.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N582 T617 | N582-G619 PolarHBondContact O-N 2.79Å; T617-G619 PolarHBondContact O-N 2.81Å |
| 620 | G | 78.3 | Confident | 84.5 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 25% | 0.247 | 36% | 0.356 | C | S | . | . | trans | -71.1 | 170.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H584 D615 T617 | H584-G620 PolarHBondContact CE1-O 3.2Å; H584-G620 PolarHBondContact NE2-O 3.2Å; H584-G620 VanDerWaalsContact NE2-O 3.15Å; D615-G620 CarbonylContact O-C 3.56Å; D615-G620 VanDerWaalsContact O-CA 3.3Å; D615-G620 WeakPolarHBondContact O-CA 3.45Å; T617-G620 PolarHBondContact O-N 2.78Å | ||
| 621 | S | 81.1 | Confident | 84.6 | Confident | 84 Ų | 84 | 53 Ų | 53 | 59% | 0.587 | 33% | 0.331 | S | S | * | . | trans | -117.7 | 138.1 | -171.3 | 67.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 622 | C | 87.4 | Confident | 84.6 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 9% | 0.088 | 36% | 0.355 | C | S | . | . | trans | -90.6 | 136.2 | 173.3 | -67 | 0 | 0 | 0 | 0 | 112.3 | L599 C608 F612 | L599-C622 HydrophobicContact CB-CB 4.21Å; C608-C622 WeakPolarHBondContact CA-SG 3.25Å; C608-C622 HydrophobicContact CB-CB 3.79Å; C608-C622 WeakPolarHBondContact CB-SG 3.37Å; C608-C622 WeakPolarHBondContact SG-CB 3.38Å; C608-C622 CovalentContact SG-SG 2.03Å; C608-C622 PolarHBondContact SG-SG 3.1Å; F612-C622 HydrophobicContact CB-CB 4.17Å | ||
| 623 | Q | 86.8 | Confident | 84.6 | Confident | 96 Ų | 96 | 58 Ų | 58 | 45% | 0.449 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 148.8 | 178.7 | -64.5 | -170.8 | 7.1 | 0 | 0 | 112 | F612 Y613 | F612-Q623 CarbonylContact C-O 3.54Å; F612-Q623 WeakPolarHBondContact CA-O 3.38Å; F612-Q623 WeakPolarHBondContact CB-O 3.25Å; Y613-Q623 WeakPolarHBondContact CD1-O 3.45Å; Y613-Q623 HydrophobicContact CE1-CB 4.35Å; Y613-Q623 PolarHBondContact N-O 2.62Å; Y613-Q623 PolarHBondContact O-N 2.77Å |
| 624 | P | 87.9 | Confident | 84.6 | Confident | 71 Ų | 71 | 55.8 Ų | 55.8 | 46% | 0.461 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 142.4 | 179.5 | 26.7 | -34.2 | 0 | 0 | 0 | 111.9 | F612 K626 | F612-P624 HydrophobicContact CD1-CB 4.06Å; F612-P624 HydrophobicContact CE1-CB 3.79Å; F612-P624 HydrophobicContact CE1-CG 4.46Å; F612-P624 HydrophobicContact CZ-CB 4.47Å; P624-K626 PolarHBondContact O-N 3.47Å |
| 625 | C | 89.1 | Confident | 84.6 | Confident | 24 Ų | 24 | 56.9 Ų | 56.9 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | trans | -59.6 | 127.5 | 175.5 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | G611 C634 | G611-C625 PolarHBondContact O-N 2Å; G611-C625 PolarHBondContact O-SG 3.43Å; C625-C634 HydrophobicContact CB-CB 3.66Å; C625-C634 WeakPolarHBondContact CB-SG 3.17Å; C625-C634 WeakPolarHBondContact SG-CB 3.45Å; C625-C634 PolarHBondContact SG-N 3.27Å; C625-C634 CovalentContact SG-SG 2.01Å; C625-C634 PolarHBondContact SG-SG 2.81Å | ||
| 626 | K | 89.4 | Confident | 84.5 | Confident | 117 Ų | 117 | 54.5 Ų | 54.5 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | trans | -102.5 | 76.2 | 179.4 | -66.7 | -176.9 | -178.2 | 176.1 | 0 | 111.4 | P624 R652 | P624-K626 PolarHBondContact O-N 3.47Å; K626-R652 WeakPolarHBondContact O-CB 3.35Å | ||
| 627 | C | 88.9 | Confident | 84.5 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.02 | 37% | 0.373 | C | S | . | . | trans | -104.3 | 21.9 | -172.3 | -52.4 | 0 | 0 | 0 | 0 | 115 | G629 H630 A631 C641 R652 | C627-G629 PolarHBondContact O-N 2.74Å; C627-H630 PolarHBondContact O-N 3.37Å; C627-A631 HydrophobicContact CB-CB 3.7Å; C627-A631 VanDerWaalsContact CB-O 3.29Å; C627-A631 WeakPolarHBondContact CB-O 3.33Å; C627-C641 WeakPolarHBondContact CA-SG 3.48Å; C627-C641 HydrophobicContact CB-CB 3.65Å; C627-C641 WeakPolarHBondContact CB-SG 3.48Å; C627-C641 WeakPolarHBondContact SG-CB 3.19Å; C627-C641 CovalentContact SG-SG 2.02Å; C627-C641 PolarHBondContact SG-SG 3.01Å; C627-R652 CarbonylContact C-O 3.51Å | ||
| 628 | N | 87.1 | Confident | 84.7 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 41% | 0.406 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 32.1 | 175.1 | -58.9 | -47.9 | 0 | 0 | 0 | 115 | H630 R652 L667 | N628-H630 PolarHBondContact O-CD2 3.21Å; N628-H630 VanDerWaalsContact O-CD2 3.28Å; N628-H630 PolarHBondContact O-N 3.35Å; N628-R652 PolarHBondContact ND2-O 2.9Å; N628-L667 HydrophobicContact CB-CD2 4.39Å |
| 629 | G | 84.3 | Confident | 85.2 | Confident | 79 Ų | 79 | 54.5 Ų | 54.5 | 81% | 0.814 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | -3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | C627 | C627-G629 PolarHBondContact O-N 2.74Š|
| 630 | H | 88.3 | Confident | 85.9 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 11% | 0.111 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -99.3 | 1.9 | -178.9 | -65.5 | -66.4 | 0 | 0 | 0 | 114.1 | C627 N628 T644 I648 C653 P666 G669 | C627-H630 PolarHBondContact O-N 3.37Å; N628-H630 PolarHBondContact O-CD2 3.21Å; N628-H630 VanDerWaalsContact O-CD2 3.28Å; N628-H630 PolarHBondContact O-N 3.35Å; H630-T644 PolarHBondContact O-N 3.31Å; H630-T644 PolarHBondContact O-OG1 3.08Å; H630-I648 HydrophobicContact CB-CD1 4.16Å; H630-I648 WeakPolarHBondContact ND1-CD1 3.48Å; H630-C653 HydrophobicContact CB-CB 3.74Å; H630-P666 PolarHBondContact CD2-O 2.9Å; H630-P666 PolarHBondContact NE2-O 3.34Å; H630-G669 PolarHBondContact CE1-O 2.85Å; H630-G669 PolarHBondContact NE2-O 3.3Å |
| 631 | A | 88.1 | Confident | 86.5 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 12% | 0.124 | 34% | 0.34 | C | S | . | . | trans | -158.9 | 151.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | C627 C641 F642 | C627-A631 HydrophobicContact CB-CB 3.7Å; C627-A631 VanDerWaalsContact CB-O 3.29Å; C627-A631 WeakPolarHBondContact CB-O 3.33Å; A631-C641 HydrophobicContact CB-CB 4.36Å; A631-F642 WeakPolarHBondContact CB-O 3.31Å | ||
| 632 | S | 84 | Confident | 86.9 | Confident | 91 Ų | 91 | 55.4 Ų | 55.4 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -103.1 | -15 | 167.5 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | G611 | G611-S632 WeakPolarHBondContact CA-O 3.46Š|
| 633 | M | 86.9 | Confident | 87.1 | Confident | 76 Ų | 76 | 55.5 Ų | 55.5 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | trans | -112.9 | 136.8 | -175.1 | -65.2 | -67.7 | -73.3 | 0 | 0 | 110.6 | F642 | M633-F642 HydrophobicContact CB-CD2 4.16Å; M633-F642 PolarHBondContact O-N 2.77Å | ||
| 634 | C | 88.6 | Confident | 87.3 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -137.8 | 166.9 | 171.5 | 73 | 0 | 0 | 0 | 0 | 110.4 | C625 P636 K640 F642 | C625-C634 HydrophobicContact CB-CB 3.66Å; C625-C634 WeakPolarHBondContact CB-SG 3.17Å; C625-C634 WeakPolarHBondContact SG-CB 3.45Å; C625-C634 PolarHBondContact SG-N 3.27Å; C625-C634 CovalentContact SG-SG 2.01Å; C625-C634 PolarHBondContact SG-SG 2.81Å; C634-P636 WeakPolarHBondContact O-CD 3.48Å; C634-K640 CarbonylContact C-O 3.59Å; C634-K640 VanDerWaalsContact CA-O 3.23Å; C634-K640 WeakPolarHBondContact CA-O 3.26Å; C634-K640 VanDerWaalsContact CB-O 3.28Å; C634-K640 WeakPolarHBondContact CB-O 3.25Å; C634-F642 VanDerWaalsContact C-CE2 3.49Å |
| 635 | N | 87 | Confident | 87.5 | Confident | 48 Ų | 48 | 50 Ų | 50 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | trans | -65.7 | 125.6 | 176.7 | 179.7 | -37.1 | 0 | 0 | 0 | 110 | Y613 S637 N638 G639 K640 F642 | Y613-N635 WeakPolarHBondContact CB-O 3.48Å; N635-S637 PolarHBondContact O-N 3.16Å; N635-S637 VanDerWaalsContact O-N 3.15Å; N635-S637 PolarHBondContact OD1-N 3.48Å; N635-S637 PolarHBondContact OD1-OG 3.29Å; N635-N638 WeakPolarHBondContact CB-OD1 3.18Å; N635-N638 PolarHBondContact O-N 2.84Å; N635-G639 WeakPolarHBondContact O-CA 3.2Å; N635-G639 PolarHBondContact O-N 3.42Å; N635-K640 HydrophobicContact CB-CB 4.4Å; N635-K640 PolarHBondContact N-O 2.87Å; N635-F642 HydrophobicContact CB-CE2 4.42Å; N635-F642 HydrophobicContact CB-CZ 4.05Å | ||
| 636 | P | 82 | Confident | 87.7 | Confident | 52 Ų | 52 | 50.6 Ų | 50.6 | 34% | 0.338 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24.6 | -174.9 | -24.7 | 33.7 | 0 | 0 | 0 | 115.1 | Y613 G614 C634 | Y613-P636 CarbonylContact C-O 3.58Å; Y613-P636 WeakPolarHBondContact CA-O 3.42Å; Y613-P636 WeakPolarHBondContact CB-O 3.27Å; G614-P636 PolarHBondContact N-O 3.48Å; C634-P636 WeakPolarHBondContact O-CD 3.48Å |
| 637 | S | 80.3 | Confident | 87.6 | Confident | 91 Ų | 91 | 45 Ų | 45 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -33 | -174.8 | 62.8 | 0 | 0 | 0 | 0 | 114 | N635 | N635-S637 PolarHBondContact O-N 3.16Å; N635-S637 VanDerWaalsContact O-N 3.15Å; N635-S637 PolarHBondContact OD1-N 3.48Å; N635-S637 PolarHBondContact OD1-OG 3.29Å |
| 638 | N | 84.9 | Confident | 87.8 | Confident | 95 Ų | 95 | 45 Ų | 45 | 51% | 0.508 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131 | -3.4 | -170.6 | 67.7 | 16.4 | 0 | 0 | 0 | 114.5 | N635 K640 | N635-N638 WeakPolarHBondContact CB-OD1 3.18Å; N635-N638 PolarHBondContact O-N 2.84Å; N638-K640 VanDerWaalsContact C-N 3.28Å; N638-K640 PolarHBondContact O-N 2.97Å; N638-K640 VanDerWaalsContact OD1-CB 3.3Å; N638-K640 WeakPolarHBondContact OD1-CB 3.3Å; N638-K640 PolarHBondContact OD1-N 3.1Å |
| 639 | G | 84.9 | Confident | 87.9 | Confident | 11 Ų | 11 | 44.9 Ų | 44.9 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | trans | 75.7 | 9.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y613 N635 C641 | Y613-G639 VanDerWaalsContact CD2-N 3.34Å; N635-G639 WeakPolarHBondContact O-CA 3.2Å; N635-G639 PolarHBondContact O-N 3.42Å; G639-C641 PolarHBondContact O-N 3.31Å | ||
| 640 | K | 89.8 | Confident | 88 | Confident | 106 Ų | 106 | 42.5 Ų | 42.5 | 46% | 0.461 | 24% | 0.244 | S | C | . | . | trans | -68.9 | 121.6 | 178.5 | -173.4 | 176.2 | -175.4 | 177.9 | 0 | 111.2 | C634 N635 N638 D651 | C634-K640 CarbonylContact C-O 3.59Å; C634-K640 VanDerWaalsContact CA-O 3.23Å; C634-K640 WeakPolarHBondContact CA-O 3.26Å; C634-K640 VanDerWaalsContact CB-O 3.28Å; C634-K640 WeakPolarHBondContact CB-O 3.25Å; N635-K640 HydrophobicContact CB-CB 4.4Å; N635-K640 PolarHBondContact N-O 2.87Å; N638-K640 VanDerWaalsContact C-N 3.28Å; N638-K640 PolarHBondContact O-N 2.97Å; N638-K640 VanDerWaalsContact OD1-CB 3.3Å; N638-K640 WeakPolarHBondContact OD1-CB 3.3Å; N638-K640 PolarHBondContact OD1-N 3.1Å; K640-D651 WeakPolarHBondContact CE-OD1 3.46Å; K640-D651 HydrophobicContact CG-CB 4.47Å | ||
| 641 | C | 89.9 | Confident | 87.9 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 5% | 0.054 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -74.3 | 141.5 | -175.6 | -64.5 | 0 | 0 | 0 | 0 | 113.6 | C627 A631 G639 D651 C653 | C627-C641 WeakPolarHBondContact CA-SG 3.48Å; C627-C641 HydrophobicContact CB-CB 3.65Å; C627-C641 WeakPolarHBondContact CB-SG 3.48Å; C627-C641 WeakPolarHBondContact SG-CB 3.19Å; C627-C641 CovalentContact SG-SG 2.02Å; C627-C641 PolarHBondContact SG-SG 3.01Å; A631-C641 HydrophobicContact CB-CB 4.36Å; G639-C641 PolarHBondContact O-N 3.31Å; C641-D651 WeakPolarHBondContact CB-O 3.37Å; C641-D651 PolarHBondContact N-O 2.78Å; C641-D651 PolarHBondContact SG-O 3.33Å; C641-D651 VanDerWaalsContact SG-O 3.41Å; C641-C653 VanDerWaalsContact CB-SG 3.54Å |
| 642 | F | 90 | Very high | 87.9 | Confident | 64 Ų | 64 | 51.9 Ų | 51.9 | 28% | 0.281 | 28% | 0.283 | S | S | . | . | trans | -95 | 89.3 | 170.8 | -57.4 | -64.7 | 0 | 0 | 0 | 109.4 | A631 M633 C634 N635 T644 Y692 | A631-F642 WeakPolarHBondContact CB-O 3.31Å; M633-F642 HydrophobicContact CB-CD2 4.16Å; M633-F642 PolarHBondContact O-N 2.77Å; C634-F642 VanDerWaalsContact C-CE2 3.49Å; N635-F642 HydrophobicContact CB-CE2 4.42Å; N635-F642 HydrophobicContact CB-CZ 4.05Å; F642-T644 PolarHBondContact O-N 3.11Å; F642-Y692 HydrophobicContact CB-CD1 4.02Å; F642-Y692 HydrophobicContact CB-CD2 4.13Å; F642-Y692 HydrophobicContact CB-CG 3.81Å; F642-Y692 HydrophobicContact CD1-CD2 4.06Å; F642-Y692 AromaticContact CD1-CE2 3.9Å; F642-Y692 HydrophobicContact CD1-CE2 3.9Å; F642-Y692 HydrophobicContact CD2-CE1 4.45Å; F642-Y692 HydrophobicContact CE1-CE2 4.28Å; F642-Y692 HydrophobicContact CG-CD1 4.33Å; F642-Y692 HydrophobicContact CG-CD2 4.24Å; F642-Y692 HydrophobicContact CG-CE1 4.35Å; F642-Y692 HydrophobicContact CG-CE2 4.26Å; F642-Y692 HydrophobicContact CG-CG 4.28Å | ||
| 643 | C | 91.3 | Very high | 88.2 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 10% | 0.095 | 25% | 0.252 | C | S | . | . | trans | -60.5 | 132.5 | -174.4 | -48.3 | 0 | 0 | 0 | 0 | 111.9 | I648 C653 Y693 | C643-I648 HydrophobicContact CB-CB 4.47Å; C643-C653 WeakPolarHBondContact CA-SG 3.37Å; C643-C653 HydrophobicContact CB-CB 4.06Å; C643-C653 WeakPolarHBondContact CB-SG 3.16Å; C643-C653 VanDerWaalsContact SG-CA 3.52Å; C643-C653 WeakPolarHBondContact SG-CB 3.05Å; C643-C653 CovalentContact SG-SG 2.04Å; C643-C653 PolarHBondContact SG-SG 3.46Å; C643-Y693 WeakPolarHBondContact O-CD1 3.25Å; C643-Y693 WeakPolarHBondContact O-CE1 3.39Å | ||
| 644 | T | 91.5 | Very high | 88.3 | Confident | 40 Ų | 40 | 47.6 Ų | 47.6 | 25% | 0.245 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -90.2 | -13.6 | -175.1 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | H630 F642 Y692 Y693 T694 A695 | H630-T644 PolarHBondContact O-N 3.31Å; H630-T644 PolarHBondContact O-OG1 3.08Å; F642-T644 PolarHBondContact O-N 3.11Å; T644-Y692 WeakPolarHBondContact CA-O 3.33Å; T644-Y693 CarbonylContact O-C 3.09Å; T644-Y693 VanDerWaalsContact O-CA 3.29Å; T644-Y693 WeakPolarHBondContact O-CA 3.28Å; T644-T694 PolarHBondContact O-N 3.11Å; T644-A695 PolarHBondContact O-N 3.2Å; T644-A695 VanDerWaalsContact O-N 3.14Å |
| 645 | T | 92.1 | Very high | 88.4 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 8% | 0.08 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 124.6 | 178.7 | -54.4 | 0 | 0 | 0 | 0 | 110.3 | G647 I648 A695 | T645-G647 PolarHBondContact O-N 3.03Å; T645-I648 HydrophobicContact CG2-CD1 4.19Å; T645-I648 HydrophobicContact CG2-CG1 4.39Å; T645-I648 PolarHBondContact O-N 3.02Å; T645-A695 CarbonylContact C-O 3.52Å; T645-A695 WeakPolarHBondContact CA-O 3.38Å; T645-A695 HydrophobicContact CG2-CB 4.29Å |
| 646 | K | 91.9 | Very high | 88.6 | Confident | 36 Ų | 36 | 50.5 Ų | 50.5 | 16% | 0.157 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 131.5 | 178.3 | -177.3 | 67.9 | -178.2 | 109.8 | 0 | 110.1 | E657 Y662 L685 Y693 A695 I696 | K646-E657 IonicContact NZ-OE1 3.14Å; K646-E657 IonicContact NZ-OE2 3.52Å; K646-E657 PolarHBondContact NZ-OE2 2.85Å; K646-Y662 WeakPolarHBondContact CG-OH 3.35Å; K646-Y662 VanDerWaalsContact O-CE1 3.25Å; K646-Y662 WeakPolarHBondContact O-CE1 3.36Å; K646-L685 HydrophobicContact CD-CD2 4.08Å; K646-L685 HydrophobicContact CG-CD2 4.34Å; K646-Y693 HydrophobicContact CB-CD1 4.17Å; K646-Y693 HydrophobicContact CB-CE1 4.41Å; K646-Y693 HydrophobicContact CB-CG 4.23Å; K646-Y693 HydrophobicContact CD-CD2 3.91Å; K646-Y693 HydrophobicContact CD-CE1 4.2Å; K646-Y693 HydrophobicContact CD-CE2 3.52Å; K646-Y693 HydrophobicContact CD-CG 4.42Å; K646-A695 PolarHBondContact N-O 3.32Å; K646-I696 HydrophobicContact CB-CB 4.29Å; K646-I696 HydrophobicContact CB-CD1 4.18Å; K646-I696 HydrophobicContact CB-CG1 4.18Å; K646-I696 HydrophobicContact CG-CD1 4.22Å |
| 647 | G | 89.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.2 | -7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T645 C656 E657 | T645-G647 PolarHBondContact O-N 3.03Å; G647-C656 CarbonylContact O-C 3.52Å; G647-C656 WeakPolarHBondContact O-CA 3.3Å; G647-E657 PolarHBondContact O-N 2.86Å |
| 648 | I | 91.6 | Very high | 89.1 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.7 | 169.9 | -52.3 | -174.6 | 0 | 0 | 0 | 109.2 | H630 C643 T645 C653 M655 P666 C671 | H630-I648 HydrophobicContact CB-CD1 4.16Å; H630-I648 WeakPolarHBondContact ND1-CD1 3.48Å; C643-I648 HydrophobicContact CB-CB 4.47Å; T645-I648 HydrophobicContact CG2-CD1 4.19Å; T645-I648 HydrophobicContact CG2-CG1 4.39Å; T645-I648 PolarHBondContact O-N 3.02Å; I648-C653 HydrophobicContact CG2-CB 3.72Å; I648-C653 WeakPolarHBondContact CG2-O 3.29Å; I648-M655 CarbonylContact C-O 3.57Å; I648-M655 WeakPolarHBondContact CA-O 3.21Å; I648-P666 HydrophobicContact CD1-CB 4.19Å; I648-P666 HydrophobicContact CG2-CB 3.99Å; I648-P666 HydrophobicContact CG2-CG 4.38Å; I648-C671 HydrophobicContact CG1-CB 4.1Å |
| 649 | K | 88.8 | Confident | 88.8 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 32% | 0.317 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 171.7 | -178.7 | 72.7 | 177.1 | -177.9 | -179.5 | 0 | 113.1 | H654 M655 E657 E659 | K649-H654 PolarHBondContact O-N 2.88Å; K649-M655 HydrophobicContact CG-CB 4.3Å; K649-M655 PolarHBondContact N-O 3.25Å; K649-M655 PolarHBondContact O-N 3.46Å; K649-E657 HydrophobicContact CD-CB 4.18Å; K649-E657 HydrophobicContact CD-CG 4.16Å; K649-E659 IonicContact NZ-OE1 2.82Å; K649-E659 PolarHBondContact NZ-OE1 3.27Å |
| 650 | G | 87.5 | Confident | 88.5 | Confident | 29 Ų | 29 | 56 Ų | 56 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.9 | 160.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R652 C653 | G650-R652 PolarHBondContact O-N 2.81Å; G650-C653 PolarHBondContact O-N 3.44Å |
| 651 | D | 86.8 | Confident | 88.2 | Confident | 99 Ų | 99 | 57.6 Ų | 57.6 | 53% | 0.529 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.8 | -169.6 | -62.6 | -30.2 | 0 | 0 | 0 | 114.5 | K640 C641 | K640-D651 WeakPolarHBondContact CE-OD1 3.46Å; K640-D651 HydrophobicContact CG-CB 4.47Å; C641-D651 WeakPolarHBondContact CB-O 3.37Å; C641-D651 PolarHBondContact N-O 2.78Å; C641-D651 PolarHBondContact SG-O 3.33Å; C641-D651 VanDerWaalsContact SG-O 3.41Å |
| 652 | R | 87.8 | Confident | 88.2 | Confident | 136 Ų | 136 | 57.5 Ų | 57.5 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 18 | 175.2 | -60.2 | -173.3 | -175 | 174.8 | 2.7 | 113.6 | K626 C627 N628 G650 H654 | K626-R652 WeakPolarHBondContact O-CB 3.35Å; C627-R652 CarbonylContact C-O 3.51Å; N628-R652 PolarHBondContact ND2-O 2.9Å; G650-R652 PolarHBondContact O-N 2.81Å; R652-H654 PolarHBondContact O-N 3.31Å |
| 653 | C | 90.5 | Very high | 88 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 48.5 | -175.7 | -53 | 0 | 0 | 0 | 0 | 113 | H630 C641 C643 I648 G650 | H630-C653 HydrophobicContact CB-CB 3.74Å; C641-C653 VanDerWaalsContact CB-SG 3.54Å; C643-C653 WeakPolarHBondContact CA-SG 3.37Å; C643-C653 HydrophobicContact CB-CB 4.06Å; C643-C653 WeakPolarHBondContact CB-SG 3.16Å; C643-C653 VanDerWaalsContact SG-CA 3.52Å; C643-C653 WeakPolarHBondContact SG-CB 3.05Å; C643-C653 CovalentContact SG-SG 2.04Å; C643-C653 PolarHBondContact SG-SG 3.46Å; I648-C653 HydrophobicContact CG2-CB 3.72Å; I648-C653 WeakPolarHBondContact CG2-O 3.29Å; G650-C653 PolarHBondContact O-N 3.44Å |
| 654 | H | 89.3 | Confident | 87.6 | Confident | 78 Ų | 78 | 59.5 Ų | 59.5 | 36% | 0.361 | 30% | 0.303 | S | S | . | . | trans | -111.7 | 3 | -171.5 | 66.8 | -81.8 | 0 | 0 | 0 | 114 | K649 R652 P666 L667 | K649-H654 PolarHBondContact O-N 2.88Å; R652-H654 PolarHBondContact O-N 3.31Å; H654-P666 WeakPolarHBondContact O-CG 3.07Å; H654-L667 HydrophobicContact CB-CD2 3.88Å; H654-L667 HydrophobicContact CB-CG 4.37Å | ||
| 655 | M | 90.2 | Very high | 87.3 | Confident | 100 Ų | 100 | 60.2 Ų | 60.2 | 49% | 0.493 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 152.8 | -178.7 | -54.9 | -179.2 | 73 | 0 | 0 | 111.6 | I648 K649 | I648-M655 CarbonylContact C-O 3.57Å; I648-M655 WeakPolarHBondContact CA-O 3.21Å; K649-M655 HydrophobicContact CG-CB 4.3Å; K649-M655 PolarHBondContact N-O 3.25Å; K649-M655 PolarHBondContact O-N 3.46Å |
| 656 | C | 89.8 | Confident | 87 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 9% | 0.088 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 153.6 | 168.3 | -60.4 | 0 | 0 | 0 | 0 | 112 | G647 V658 G664 C671 | G647-C656 CarbonylContact O-C 3.52Å; G647-C656 WeakPolarHBondContact O-CA 3.3Å; C656-V658 VanDerWaalsContact C-N 3.35Å; C656-V658 PolarHBondContact O-N 2.81Å; C656-V658 VanDerWaalsContact O-N 3.08Å; C656-G664 VanDerWaalsContact SG-C 3.51Å; C656-G664 PolarHBondContact SG-O 2.76Å; C656-G664 VanDerWaalsContact SG-O 3.37Å; C656-C671 WeakPolarHBondContact CA-SG 3.5Å; C656-C671 HydrophobicContact CB-CB 3.86Å; C656-C671 WeakPolarHBondContact CB-SG 3.41Å; C656-C671 WeakPolarHBondContact SG-CB 3.45Å; C656-C671 CovalentContact SG-SG 2.02Å; C656-C671 PolarHBondContact SG-SG 3.17Å |
| 657 | E | 90 | Very high | 86.6 | Confident | 40 Ų | 40 | 63.3 Ų | 63.3 | 19% | 0.187 | 32% | 0.322 | C | S | . | . | trans | -81.7 | 72.8 | 176.4 | -164.9 | -174.5 | 166.5 | 0 | 0 | 111.8 | K646 G647 K649 E659 S660 Y662 | K646-E657 IonicContact NZ-OE1 3.14Å; K646-E657 IonicContact NZ-OE2 3.52Å; K646-E657 PolarHBondContact NZ-OE2 2.85Å; G647-E657 PolarHBondContact O-N 2.86Å; K649-E657 HydrophobicContact CD-CB 4.18Å; K649-E657 HydrophobicContact CD-CG 4.16Å; E657-E659 VanDerWaalsContact C-N 3.32Å; E657-E659 PolarHBondContact O-N 3.22Å; E657-S660 PolarHBondContact O-N 3.39Å; E657-S660 WeakPolarHBondContact OE1-CB 3.41Å; E657-S660 PolarHBondContact OE1-OG 2.62Å; E657-Y662 HydrophobicContact CB-CD2 4.17Å; E657-Y662 PolarHBondContact O-N 3.38Å | ||
| 658 | V | 83.8 | Confident | 86 | Confident | 109 Ų | 109 | 70.6 Ų | 70.6 | 66% | 0.661 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -58.5 | -38 | -172.2 | -175.4 | 0 | 0 | 0 | 0 | 113.5 | C656 S660 R661 | C656-V658 VanDerWaalsContact C-N 3.35Å; C656-V658 PolarHBondContact O-N 2.81Å; C656-V658 VanDerWaalsContact O-N 3.08Å; V658-S660 PolarHBondContact O-N 2.8Å; V658-S660 VanDerWaalsContact O-N 3.16Å; V658-R661 PolarHBondContact O-N 2.88Å; V658-R661 VanDerWaalsContact O-N 3.11Å |
| 659 | E | 79.3 | Confident | 85.5 | Confident | 168 Ų | 168 | 72.3 Ų | 72.3 | 79% | 0.785 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -57 | -29.5 | 177.2 | -69.9 | 156.5 | -119.9 | 0 | 0 | 113 | K649 E657 | K649-E659 IonicContact NZ-OE1 2.82Å; K649-E659 PolarHBondContact NZ-OE1 3.27Å; E657-E659 VanDerWaalsContact C-N 3.32Å; E657-E659 PolarHBondContact O-N 3.22Å |
| 660 | S | 78.3 | Confident | 85.5 | Confident | 47 Ų | 47 | 69.7 Ų | 69.7 | 33% | 0.329 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -99.1 | 23.3 | -178.5 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | E657 V658 Y662 Y673 | E657-S660 PolarHBondContact O-N 3.39Å; E657-S660 WeakPolarHBondContact OE1-CB 3.41Å; E657-S660 PolarHBondContact OE1-OG 2.62Å; V658-S660 PolarHBondContact O-N 2.8Å; V658-S660 VanDerWaalsContact O-N 3.16Å; S660-Y662 VanDerWaalsContact C-N 3.31Å; S660-Y662 WeakPolarHBondContact O-CD2 3.41Å; S660-Y662 PolarHBondContact O-N 2.92Å; S660-Y673 WeakPolarHBondContact O-CD2 3.41Å; S660-Y673 WeakPolarHBondContact O-CE2 3.43Å |
| 661 | R | 82.6 | Confident | 85.7 | Confident | 139 Ų | 139 | 68.3 Ų | 68.3 | 53% | 0.525 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 24 | -178.8 | -59.7 | -172.9 | -73.7 | -133.4 | -6.1 | 115.8 | V658 Y673 T674 | V658-R661 PolarHBondContact O-N 2.88Å; V658-R661 VanDerWaalsContact O-N 3.11Å; R661-Y673 HydrophobicContact CB-CD2 4.48Å; R661-Y673 HydrophobicContact CB-CE2 4.14Å; R661-Y673 PolarHBondContact NE-OH 2.99Å; R661-Y673 PolarHBondContact NH2-OH 3.38Å; R661-T674 PolarHBondContact O-N 3.44Å |
| 662 | Y | 89.6 | Confident | 85.9 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 131.3 | 170.4 | -72.6 | -93 | 0 | 0 | 0 | 111.4 | K646 E657 S660 C671 Y672 Y673 I696 | K646-Y662 WeakPolarHBondContact CG-OH 3.35Å; K646-Y662 VanDerWaalsContact O-CE1 3.25Å; K646-Y662 WeakPolarHBondContact O-CE1 3.36Å; E657-Y662 HydrophobicContact CB-CD2 4.17Å; E657-Y662 PolarHBondContact O-N 3.38Å; S660-Y662 VanDerWaalsContact C-N 3.31Å; S660-Y662 WeakPolarHBondContact O-CD2 3.41Å; S660-Y662 PolarHBondContact O-N 2.92Å; Y662-C671 HydrophobicContact CD1-CB 4.39Å; Y662-Y672 CarbonylContact C-O 3.57Å; Y662-Y672 VanDerWaalsContact CA-O 3.3Å; Y662-Y672 WeakPolarHBondContact CA-O 3.3Å; Y662-Y673 HydrophobicContact CD2-CD2 4.08Å; Y662-Y673 HydrophobicContact CE1-CD2 4.29Å; Y662-Y673 HydrophobicContact CE1-CG 4.47Å; Y662-Y673 AromaticContact CE2-CD2 3.68Å; Y662-Y673 HydrophobicContact CE2-CD2 3.68Å; Y662-Y673 HydrophobicContact CE2-CE2 4.47Å; Y662-Y673 AromaticContact CZ-CD2 3.79Å; Y662-I696 WeakPolarHBondContact OH-CD1 3.33Å |
| 663 | Q | 85.9 | Confident | 86.1 | Confident | 89 Ų | 89 | 58.6 Ų | 58.6 | 42% | 0.416 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 147.3 | -179.7 | -57.5 | -179.1 | 12.1 | 0 | 0 | 110.4 | Y672 | Q663-Y672 PolarHBondContact N-O 2.99Å; Q663-Y672 PolarHBondContact O-N 3.31Å |
| 664 | G | 84.4 | Confident | 86.1 | Confident | 32 Ų | 32 | 60.5 Ų | 60.5 | 33% | 0.33 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.7 | -166.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | C656 | C656-G664 VanDerWaalsContact SG-C 3.51Å; C656-G664 PolarHBondContact SG-O 2.76Å; C656-G664 VanDerWaalsContact SG-O 3.37Å |
| 665 | N | 83.8 | Confident | 86.1 | Confident | 54 Ų | 54 | 57.1 Ų | 57.1 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | trans | -141.8 | 107 | 177.6 | -175.1 | -14.4 | 0 | 0 | 0 | 110.5 | L667 K668 G669 T670 | N665-L667 PolarHBondContact O-N 3.46Å; N665-L667 WeakPolarHBondContact OD1-CB 3.49Å; N665-L667 PolarHBondContact OD1-N 2.92Å; N665-K668 PolarHBondContact O-N 3.46Å; N665-G669 CarbonylContact O-C 3.46Å; N665-G669 WeakPolarHBondContact O-CA 3.36Å; N665-G669 PolarHBondContact O-N 2.74Å; N665-T670 PolarHBondContact N-O 3.31Å | ||
| 666 | P | 86 | Confident | 86 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 5% | 0.045 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -15.7 | -176.7 | 30.6 | -35.3 | 0 | 0 | 0 | 113.1 | H630 I648 H654 K668 G669 | H630-P666 PolarHBondContact CD2-O 2.9Å; H630-P666 PolarHBondContact NE2-O 3.34Å; I648-P666 HydrophobicContact CD1-CB 4.19Å; I648-P666 HydrophobicContact CG2-CB 3.99Å; I648-P666 HydrophobicContact CG2-CG 4.38Å; H654-P666 WeakPolarHBondContact O-CG 3.07Å; P666-K668 VanDerWaalsContact C-N 3.34Å; P666-G669 CarbonylContact C-O 3.56Å; P666-G669 WeakPolarHBondContact CA-O 3.04Å |
| 667 | L | 83.8 | Confident | 85.8 | Confident | 107 Ų | 107 | 56.8 Ų | 56.8 | 56% | 0.56 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -21 | 175.7 | -63.1 | 176.4 | 0 | 0 | 0 | 113 | N628 H654 N665 | N628-L667 HydrophobicContact CB-CD2 4.39Å; H654-L667 HydrophobicContact CB-CD2 3.88Å; H654-L667 HydrophobicContact CB-CG 4.37Å; N665-L667 PolarHBondContact O-N 3.46Å; N665-L667 WeakPolarHBondContact OD1-CB 3.49Å; N665-L667 PolarHBondContact OD1-N 2.92Å |
| 668 | K | 76.6 | Confident | 85.5 | Confident | 153 Ų | 153 | 59.1 Ų | 59.1 | 67% | 0.665 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.4 | 3.6 | -179.3 | -66.3 | -173.7 | 177.3 | -178.5 | 0 | 113.1 | N665 P666 | N665-K668 PolarHBondContact O-N 3.46Å; P666-K668 VanDerWaalsContact C-N 3.34Å |
| 669 | G | 81.8 | Confident | 85.6 | Confident | 39 Ų | 39 | 61.2 Ų | 61.2 | 40% | 0.402 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 175 | -133.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | H630 N665 P666 | H630-G669 PolarHBondContact CE1-O 2.85Å; H630-G669 PolarHBondContact NE2-O 3.3Å; N665-G669 CarbonylContact O-C 3.46Å; N665-G669 WeakPolarHBondContact O-CA 3.36Å; N665-G669 PolarHBondContact O-N 2.74Å; P666-G669 CarbonylContact C-O 3.56Å; P666-G669 WeakPolarHBondContact CA-O 3.04Å |
| 670 | T | 88.1 | Confident | 86 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | trans | -136.2 | -177.7 | 179.3 | -167.1 | 0 | 0 | 0 | 0 | 111.5 | N665 Y672 N697 Y772 | N665-T670 PolarHBondContact N-O 3.31Å; T670-Y672 HydrophobicContact CG2-CD1 4.4Å; T670-Y672 HydrophobicContact CG2-CD2 4.4Å; T670-Y672 HydrophobicContact CG2-CE1 3.74Å; T670-Y672 HydrophobicContact CG2-CE2 3.73Å; T670-Y672 WeakPolarHBondContact CG2-OH 3.38Å; T670-N697 HydrophobicContact CG2-CB 4.46Å; T670-N697 VanDerWaalsContact CG2-ND2 3.29Å; T670-N697 WeakPolarHBondContact CG2-ND2 3.37Å; T670-N697 PolarHBondContact OG1-ND2 3.45Å; T670-Y772 HydrophobicContact CG2-CE1 4.25Å | ||
| 671 | C | 90.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 137.2 | 175.5 | -57.4 | 0 | 0 | 0 | 0 | 109.6 | I648 C656 Y662 | I648-C671 HydrophobicContact CG1-CB 4.1Å; C656-C671 WeakPolarHBondContact CA-SG 3.5Å; C656-C671 HydrophobicContact CB-CB 3.86Å; C656-C671 WeakPolarHBondContact CB-SG 3.41Å; C656-C671 WeakPolarHBondContact SG-CB 3.45Å; C656-C671 CovalentContact SG-SG 2.02Å; C656-C671 PolarHBondContact SG-SG 3.17Å; Y662-C671 HydrophobicContact CD1-CB 4.39Å |
| 672 | Y | 90.9 | Very high | 87.1 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 138.3 | -176.5 | -54.8 | -91.6 | 0 | 0 | 0 | 110.2 | Y662 Q663 T670 N697 V699 F770 Y772 | Y662-Y672 CarbonylContact C-O 3.57Å; Y662-Y672 VanDerWaalsContact CA-O 3.3Å; Y662-Y672 WeakPolarHBondContact CA-O 3.3Å; Q663-Y672 PolarHBondContact N-O 2.99Å; Q663-Y672 PolarHBondContact O-N 3.31Å; T670-Y672 HydrophobicContact CG2-CD1 4.4Å; T670-Y672 HydrophobicContact CG2-CD2 4.4Å; T670-Y672 HydrophobicContact CG2-CE1 3.74Å; T670-Y672 HydrophobicContact CG2-CE2 3.73Å; T670-Y672 WeakPolarHBondContact CG2-OH 3.38Å; Y672-N697 HydrophobicContact CD1-CB 3.72Å; Y672-N697 HydrophobicContact CE1-CB 4.12Å; Y672-V699 HydrophobicContact CG-CB 4.45Å; Y672-F770 AromaticContact CD1-CD1 3.86Å; Y672-F770 HydrophobicContact CD1-CD1 3.86Å; Y672-F770 HydrophobicContact CE1-CB 4.43Å; Y672-F770 AromaticContact CE1-CD1 3.58Å; Y672-F770 HydrophobicContact CE1-CD1 3.58Å; Y672-F770 HydrophobicContact CE1-CE1 4.34Å; Y672-F770 HydrophobicContact CE1-CG 4.41Å; Y672-F770 HydrophobicContact CG-CD1 4.42Å; Y672-F770 AromaticContact CZ-CD1 3.94Å; Y672-Y772 AromaticContact CE1-CE1 3.61Å; Y672-Y772 HydrophobicContact CE1-CE1 3.61Å; Y672-Y772 AromaticContact CE1-CZ 3.81Å; Y672-Y772 PolarHBondContact OH-OH 3.2Å |
| 673 | Y | 92.9 | Very high | 87.2 | Confident | 18 Ų | 18 | 55.8 Ų | 55.8 | 7% | 0.071 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 124.9 | 170.8 | -174.6 | -82 | 0 | 0 | 0 | 110.2 | S660 R661 Y662 L675 F681 F683 N697 F698 V699 | S660-Y673 WeakPolarHBondContact O-CD2 3.41Å; S660-Y673 WeakPolarHBondContact O-CE2 3.43Å; R661-Y673 HydrophobicContact CB-CD2 4.48Å; R661-Y673 HydrophobicContact CB-CE2 4.14Å; R661-Y673 PolarHBondContact NE-OH 2.99Å; R661-Y673 PolarHBondContact NH2-OH 3.38Å; Y662-Y673 HydrophobicContact CD2-CD2 4.08Å; Y662-Y673 HydrophobicContact CE1-CD2 4.29Å; Y662-Y673 HydrophobicContact CE1-CG 4.47Å; Y662-Y673 AromaticContact CE2-CD2 3.68Å; Y662-Y673 HydrophobicContact CE2-CD2 3.68Å; Y662-Y673 HydrophobicContact CE2-CE2 4.47Å; Y662-Y673 AromaticContact CZ-CD2 3.79Å; Y673-L675 HydrophobicContact CD1-CD2 3.89Å; Y673-L675 HydrophobicContact CD1-CG 4.49Å; Y673-L675 HydrophobicContact CE1-CD2 4.09Å; Y673-L675 PolarHBondContact O-N 2.92Å; Y673-F681 HydrophobicContact CE1-CD1 4.13Å; Y673-F681 HydrophobicContact CE1-CE1 4.22Å; Y673-F683 HydrophobicContact CD1-CE1 4.36Å; Y673-F683 AromaticContact CD1-CZ 3.7Å; Y673-F683 HydrophobicContact CD1-CZ 3.7Å; Y673-F683 HydrophobicContact CD2-CE1 4.06Å; Y673-F683 HydrophobicContact CD2-CZ 4.23Å; Y673-F683 HydrophobicContact CE1-CE1 4.29Å; Y673-F683 AromaticContact CE1-CZ 3.66Å; Y673-F683 HydrophobicContact CE1-CZ 3.66Å; Y673-F683 AromaticContact CE2-CE1 3.97Å; Y673-F683 HydrophobicContact CE2-CE1 3.97Å; Y673-F683 HydrophobicContact CE2-CZ 4.17Å; Y673-F683 HydrophobicContact CG-CE1 4.23Å; Y673-F683 AromaticContact CG-CZ 3.99Å; Y673-F683 HydrophobicContact CG-CZ 3.99Å; Y673-F683 AromaticContact CZ-CZ 3.87Å; Y673-N697 PolarHBondContact N-O 3.3Å; Y673-F698 HydrophobicContact CD1-CD1 4.31Å; Y673-F698 HydrophobicContact CG-CD1 4.48Å; Y673-F698 WeakPolarHBondContact O-CA 2.97Å; Y673-V699 PolarHBondContact O-N 3.45Å |
| 674 | T | 89.3 | Confident | 87.4 | Confident | 41 Ų | 41 | 54.3 Ų | 54.3 | 25% | 0.252 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 116.4 | 179.1 | -50 | 0 | 0 | 0 | 0 | 111.3 | R661 V699 | R661-T674 PolarHBondContact O-N 3.44Å; T674-V699 WeakPolarHBondContact CA-O 3.43Å; T674-V699 HydrophobicContact CG2-CG1 4.47Å |
| 675 | L | 90.1 | Very high | 87.7 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 136.6 | 174.2 | -62.4 | 174.1 | 0 | 0 | 0 | 110.2 | Y673 F681 F698 V699 A700 I784 F786 | Y673-L675 HydrophobicContact CD1-CD2 3.89Å; Y673-L675 HydrophobicContact CD1-CG 4.49Å; Y673-L675 HydrophobicContact CE1-CD2 4.09Å; Y673-L675 PolarHBondContact O-N 2.92Å; L675-F681 HydrophobicContact CB-CE2 4.44Å; L675-F681 HydrophobicContact CD2-CB 4.14Å; L675-F681 HydrophobicContact CD2-CD2 3.51Å; L675-F681 HydrophobicContact CD2-CE2 4.06Å; L675-F681 HydrophobicContact CD2-CG 3.84Å; L675-F698 HydrophobicContact CD1-CB 3.61Å; L675-F698 HydrophobicContact CD1-CD1 4.24Å; L675-F698 HydrophobicContact CD1-CG 4.03Å; L675-F698 HydrophobicContact CD2-CD1 4.03Å; L675-F698 HydrophobicContact CG-CB 3.99Å; L675-F698 HydrophobicContact CG-CD1 4.23Å; L675-F698 HydrophobicContact CG-CG 4.42Å; L675-V699 PolarHBondContact N-O 3.01Å; L675-A700 HydrophobicContact CB-CB 4.33Å; L675-I784 HydrophobicContact CD1-CD1 3.74Å; L675-I784 HydrophobicContact CD1-CG1 3.97Å; L675-I784 HydrophobicContact CD1-CG2 4.09Å; L675-I784 HydrophobicContact CD2-CG2 3.93Å; L675-F786 HydrophobicContact CD1-CD2 3.81Å; L675-F786 HydrophobicContact CD1-CE2 3.78Å |
| 676 | L | 87.4 | Confident | 87.9 | Confident | 86 Ų | 86 | 53.8 Ų | 53.8 | 45% | 0.45 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 138.8 | 169.2 | -60.2 | 174.7 | 0 | 0 | 0 | 109.1 | Y679 F681 | L676-Y679 HydrophobicContact CB-CD2 4.46Å; L676-F681 HydrophobicContact CB-CE2 4.23Å; L676-F681 HydrophobicContact CB-CZ 4.09Å; L676-F681 HydrophobicContact CD1-CZ 4.45Å; L676-F681 HydrophobicContact CG-CZ 4.24Å |
| 677 | I | 85.7 | Confident | 87.9 | Confident | 19 Ų | 19 | 59.6 Ų | 59.6 | 10% | 0.097 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 148.5 | 175.4 | -51 | -61.8 | 0 | 0 | 0 | 109.5 | Y679 A700 L709 F786 Q788 | I677-Y679 PolarHBondContact O-N 3.3Å; I677-Y679 VanDerWaalsContact O-N 3.12Å; I677-A700 HydrophobicContact CD1-CB 4.33Å; I677-L709 HydrophobicContact CD1-CD1 4.34Å; I677-F786 HydrophobicContact CD1-CB 3.81Å; I677-Q788 HydrophobicContact CG2-CB 4.25Å; I677-Q788 HydrophobicContact CG2-CG 3.89Å |
| 678 | D | 84.7 | Confident | 87.8 | Confident | 89 Ų | 89 | 61.5 Ų | 61.5 | 48% | 0.476 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 12.7 | -176.2 | -61.5 | -48.4 | 0 | 0 | 0 | 115.5 | F786 S787 Q788 | D678-F786 WeakPolarHBondContact CA-O 3.29Å; D678-F786 PolarHBondContact N-O 3.45Å; D678-S787 WeakPolarHBondContact OD1-CA 3.22Å; D678-S787 WeakPolarHBondContact OD1-CB 3.18Å; D678-S787 PolarHBondContact OD1-OG 3.35Å; D678-Q788 PolarHBondContact OD1-N 3.09Å |
| 679 | Y | 85.4 | Confident | 88 | Confident | 154 Ų | 154 | 60.6 Ų | 60.6 | 60% | 0.604 | 32% | 0.32 | S | S | * | . | trans | -112.9 | 133.8 | 171.6 | -91 | -94.5 | 0 | 0 | 0 | 111.7 | L676 I677 | L676-Y679 HydrophobicContact CB-CD2 4.46Å; I677-Y679 PolarHBondContact O-N 3.3Å; I677-Y679 VanDerWaalsContact O-N 3.12Å | ||
| 680 | Q | 87.9 | Confident | 88.2 | Confident | 110 Ų | 110 | 59.6 Ų | 59.6 | 51% | 0.514 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 121.1 | 171.4 | -177.4 | 177.4 | -11.3 | 0 | 0 | 110.5 | A785 | Q680-A785 HydrophobicContact CB-CB 4.04Å; Q680-A785 HydrophobicContact CG-CB 4.21Å |
| 681 | F | 92.2 | Very high | 88.2 | Confident | 27 Ų | 27 | 64.9 Ų | 64.9 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 138.5 | 176.7 | -66.8 | -91.9 | 0 | 0 | 0 | 110.5 | Y673 L675 L676 F683 Q783 I784 | Y673-F681 HydrophobicContact CE1-CD1 4.13Å; Y673-F681 HydrophobicContact CE1-CE1 4.22Å; L675-F681 HydrophobicContact CB-CE2 4.44Å; L675-F681 HydrophobicContact CD2-CB 4.14Å; L675-F681 HydrophobicContact CD2-CD2 3.51Å; L675-F681 HydrophobicContact CD2-CE2 4.06Å; L675-F681 HydrophobicContact CD2-CG 3.84Å; L676-F681 HydrophobicContact CB-CE2 4.23Å; L676-F681 HydrophobicContact CB-CZ 4.09Å; L676-F681 HydrophobicContact CD1-CZ 4.45Å; L676-F681 HydrophobicContact CG-CZ 4.24Å; F681-F683 HydrophobicContact CB-CD2 4.4Å; F681-F683 HydrophobicContact CB-CE2 3.63Å; F681-F683 HydrophobicContact CB-CZ 4.19Å; F681-Q783 CarbonylContact O-C 3.55Å; F681-Q783 VanDerWaalsContact O-CA 3.26Å; F681-Q783 WeakPolarHBondContact O-CA 3.4Å; F681-I784 HydrophobicContact CB-CG2 4.25Å; F681-I784 PolarHBondContact N-O 3.38Å; F681-I784 PolarHBondContact O-N 2.95Å |
| 682 | T | 92 | Very high | 88 | Confident | 78 Ų | 78 | 69.7 Ų | 69.7 | 48% | 0.479 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 117.8 | 173.4 | -60.4 | 0 | 0 | 0 | 0 | 109.7 | I782 Q783 | T682-I782 CarbonylContact C-O 3.53Å; T682-I782 WeakPolarHBondContact CA-O 3.48Å; T682-Q783 HydrophobicContact CG2-CG 3.97Å; T682-Q783 PolarHBondContact OG1-NE2 2.99Å |
| 683 | F | 92.2 | Very high | 88 | Confident | 31 Ų | 31 | 71 Ų | 71 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 118.1 | 176.2 | -62.7 | -90.8 | 0 | 0 | 0 | 109.2 | Y673 F681 I696 F698 K781 I782 I784 | Y673-F683 HydrophobicContact CD1-CE1 4.36Å; Y673-F683 AromaticContact CD1-CZ 3.7Å; Y673-F683 HydrophobicContact CD1-CZ 3.7Å; Y673-F683 HydrophobicContact CD2-CE1 4.06Å; Y673-F683 HydrophobicContact CD2-CZ 4.23Å; Y673-F683 HydrophobicContact CE1-CE1 4.29Å; Y673-F683 AromaticContact CE1-CZ 3.66Å; Y673-F683 HydrophobicContact CE1-CZ 3.66Å; Y673-F683 AromaticContact CE2-CE1 3.97Å; Y673-F683 HydrophobicContact CE2-CE1 3.97Å; Y673-F683 HydrophobicContact CE2-CZ 4.17Å; Y673-F683 HydrophobicContact CG-CE1 4.23Å; Y673-F683 AromaticContact CG-CZ 3.99Å; Y673-F683 HydrophobicContact CG-CZ 3.99Å; Y673-F683 AromaticContact CZ-CZ 3.87Å; F681-F683 HydrophobicContact CB-CD2 4.4Å; F681-F683 HydrophobicContact CB-CE2 3.63Å; F681-F683 HydrophobicContact CB-CZ 4.19Å; F683-I696 HydrophobicContact CD1-CD1 4.03Å; F683-I696 HydrophobicContact CE1-CD1 4.39Å; F683-I696 HydrophobicContact CG-CD1 4.21Å; F683-F698 AromaticContact CD2-CE1 3.86Å; F683-F698 HydrophobicContact CD2-CE1 3.86Å; F683-F698 HydrophobicContact CD2-CZ 4.08Å; F683-F698 HydrophobicContact CE1-CE1 4.3Å; F683-F698 HydrophobicContact CE2-CD1 4.21Å; F683-F698 AromaticContact CE2-CE1 3.35Å; F683-F698 HydrophobicContact CE2-CE1 3.35Å; F683-F698 HydrophobicContact CE2-CZ 4.01Å; F683-F698 HydrophobicContact CZ-CD1 4.3Å; F683-F698 AromaticContact CZ-CE1 3.61Å; F683-F698 HydrophobicContact CZ-CE1 3.61Å; F683-K781 CarbonylContact O-C 3.58Å; F683-K781 VanDerWaalsContact O-CA 3.29Å; F683-K781 WeakPolarHBondContact O-CA 3.45Å; F683-I782 PolarHBondContact N-O 3.25Å; F683-I782 PolarHBondContact O-N 3.08Å; F683-I784 HydrophobicContact CD2-CG2 4.43Å; F683-I784 HydrophobicContact CE2-CG2 4Å |
| 684 | S | 90.1 | Very high | 88 | Confident | 57 Ų | 57 | 73 Ų | 73 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 99.4 | 178.4 | -174.5 | 0 | 0 | 0 | 0 | 110.3 | S686 K781 | S684-S686 PolarHBondContact O-N 3.28Å; S684-S686 PolarHBondContact OG-OG 3.05Å; S684-K781 WeakPolarHBondContact OG-CE 3.47Å |
| 685 | L | 89.7 | Confident | 88.2 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 5% | 0.052 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 83.9 | 176.1 | -63.2 | 168.5 | 0 | 0 | 0 | 108.5 | K646 D690 Y693 F776 W778 P779 I780 | K646-L685 HydrophobicContact CD-CD2 4.08Å; K646-L685 HydrophobicContact CG-CD2 4.34Å; L685-D690 HydrophobicContact CB-CB 4.21Å; L685-D690 HydrophobicContact CD2-CB 4.23Å; L685-Y693 HydrophobicContact CD2-CD2 4.23Å; L685-F776 HydrophobicContact CD1-CE2 3.85Å; L685-F776 HydrophobicContact CD1-CZ 3.98Å; L685-W778 VanDerWaalsContact O-CD1 3.31Å; L685-P779 VanDerWaalsContact O-CA 3.28Å; L685-P779 WeakPolarHBondContact O-CA 3.3Å; L685-I780 HydrophobicContact CB-CG2 4.02Å; L685-I780 HydrophobicContact CD1-CG2 3.89Å; L685-I780 HydrophobicContact CG-CG2 4.48Å; L685-I780 PolarHBondContact N-O 2.77Å; L685-I780 PolarHBondContact O-N 3.27Å |
| 686 | S | 87.2 | Confident | 88.3 | Confident | 66 Ų | 66 | 71.4 Ų | 71.4 | 46% | 0.462 | 35% | 0.353 | S | S | . | . | trans | -127.7 | -3.5 | -174.5 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | S684 D690 | S684-S686 PolarHBondContact O-N 3.28Å; S684-S686 PolarHBondContact OG-OG 3.05Å; S686-D690 PolarHBondContact N-OD2 3.43Å | ||
| 687 | Q | 86.9 | Confident | 88.6 | Confident | 129 Ų | 129 | 67.8 Ų | 67.8 | 60% | 0.603 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -82.6 | 154.5 | 179.1 | -58.6 | -175.3 | -2.2 | 0 | 0 | 110.6 | D689 D690 W778 | Q687-D689 PolarHBondContact O-N 3.16Å; Q687-D690 WeakPolarHBondContact CB-OD2 3.18Å; Q687-D690 PolarHBondContact N-OD2 3.4Å; Q687-D690 WeakPolarHBondContact O-CB 3.38Å; Q687-D690 PolarHBondContact O-N 2.59Å; Q687-W778 VanDerWaalsContact O-CE2 3.27Å; Q687-W778 WeakPolarHBondContact O-CZ2 3.34Å; Q687-W778 PolarHBondContact O-NE1 3.4Å |
| 688 | E | 81 | Confident | 89 | Confident | 147 Ų | 147 | 66.9 Ų | 66.9 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -60.1 | -32.6 | 179.9 | -69.6 | -167.4 | 160.2 | 0 | 0 | 112.8 | D690 R691 | E688-D690 PolarHBondContact O-N 2.99Å; E688-R691 WeakPolarHBondContact O-CB 3.43Å; E688-R691 PolarHBondContact O-N 3.11Å |
| 689 | D | 81.8 | Confident | 89.3 | Confident | 133 Ų | 133 | 62.9 Ų | 62.9 | 71% | 0.711 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -67.1 | -22.4 | 177.3 | -66.3 | -29.3 | 0 | 0 | 0 | 113 | Q687 R691 | Q687-D689 PolarHBondContact O-N 3.16Å; D689-R691 VanDerWaalsContact C-N 3.25Å; D689-R691 PolarHBondContact O-N 3.24Å |
| 690 | D | 85.4 | Confident | 89.4 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -80.6 | -4.6 | 179.2 | -62.8 | -42.3 | 0 | 0 | 0 | 113.3 | L685 S686 Q687 E688 Y692 Y693 | L685-D690 HydrophobicContact CB-CB 4.21Å; L685-D690 HydrophobicContact CD2-CB 4.23Å; S686-D690 PolarHBondContact N-OD2 3.43Å; Q687-D690 WeakPolarHBondContact CB-OD2 3.18Å; Q687-D690 PolarHBondContact N-OD2 3.4Å; Q687-D690 WeakPolarHBondContact O-CB 3.38Å; Q687-D690 PolarHBondContact O-N 2.59Å; E688-D690 PolarHBondContact O-N 2.99Å; D690-Y692 PolarHBondContact O-N 2.96Å; D690-Y693 HydrophobicContact CB-CD2 3.89Å; D690-Y693 HydrophobicContact CB-CE2 4.3Å; D690-Y693 WeakPolarHBondContact O-CD2 3.43Å; D690-Y693 PolarHBondContact O-N 3.4Å; D690-Y693 VanDerWaalsContact O-N 3.07Å; D690-Y693 WeakPolarHBondContact OD1-CE2 3.04Å |
| 691 | R | 87.3 | Confident | 89.2 | Confident | 129 Ų | 129 | 53.3 Ų | 53.3 | 49% | 0.487 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -51.5 | -34.7 | -173.9 | 169.6 | -179 | -65.7 | -173.3 | 2.5 | 113.9 | E688 D689 W778 | E688-R691 WeakPolarHBondContact O-CB 3.43Å; E688-R691 PolarHBondContact O-N 3.11Å; D689-R691 VanDerWaalsContact C-N 3.25Å; D689-R691 PolarHBondContact O-N 3.24Å; R691-W778 HydrophobicContact CB-CD2 4.41Å |
| 692 | Y | 87.1 | Confident | 88.7 | Confident | 101 Ų | 101 | 53.5 Ų | 53.5 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -85.6 | -9.8 | -172.7 | -57.9 | -74.5 | 0 | 0 | 0 | 113.2 | F642 T644 D690 | F642-Y692 HydrophobicContact CB-CD1 4.02Å; F642-Y692 HydrophobicContact CB-CD2 4.13Å; F642-Y692 HydrophobicContact CB-CG 3.81Å; F642-Y692 HydrophobicContact CD1-CD2 4.06Å; F642-Y692 AromaticContact CD1-CE2 3.9Å; F642-Y692 HydrophobicContact CD1-CE2 3.9Å; F642-Y692 HydrophobicContact CD2-CE1 4.45Å; F642-Y692 HydrophobicContact CE1-CE2 4.28Å; F642-Y692 HydrophobicContact CG-CD1 4.33Å; F642-Y692 HydrophobicContact CG-CD2 4.24Å; F642-Y692 HydrophobicContact CG-CE1 4.35Å; F642-Y692 HydrophobicContact CG-CE2 4.26Å; F642-Y692 HydrophobicContact CG-CG 4.28Å; T644-Y692 WeakPolarHBondContact CA-O 3.33Å; D690-Y692 PolarHBondContact O-N 2.96Å |
| 693 | Y | 92.1 | Very high | 87.8 | Confident | 41 Ų | 41 | 57.5 Ų | 57.5 | 16% | 0.161 | 29% | 0.291 | C | S | . | . | trans | -76.7 | 128.6 | 178.5 | -60.7 | -54.7 | 0 | 0 | 0 | 112 | C643 T644 K646 L685 D690 F776 | C643-Y693 WeakPolarHBondContact O-CD1 3.25Å; C643-Y693 WeakPolarHBondContact O-CE1 3.39Å; T644-Y693 CarbonylContact O-C 3.09Å; T644-Y693 VanDerWaalsContact O-CA 3.29Å; T644-Y693 WeakPolarHBondContact O-CA 3.28Å; K646-Y693 HydrophobicContact CB-CD1 4.17Å; K646-Y693 HydrophobicContact CB-CE1 4.41Å; K646-Y693 HydrophobicContact CB-CG 4.23Å; K646-Y693 HydrophobicContact CD-CD2 3.91Å; K646-Y693 HydrophobicContact CD-CE1 4.2Å; K646-Y693 HydrophobicContact CD-CE2 3.52Å; K646-Y693 HydrophobicContact CD-CG 4.42Å; L685-Y693 HydrophobicContact CD2-CD2 4.23Å; D690-Y693 HydrophobicContact CB-CD2 3.89Å; D690-Y693 HydrophobicContact CB-CE2 4.3Å; D690-Y693 WeakPolarHBondContact O-CD2 3.43Å; D690-Y693 PolarHBondContact O-N 3.4Å; D690-Y693 VanDerWaalsContact O-N 3.07Å; D690-Y693 WeakPolarHBondContact OD1-CE2 3.04Å; Y693-F776 WeakPolarHBondContact O-CE2 3.43Å | ||
| 694 | T | 91.8 | Very high | 86.8 | Confident | 61 Ų | 61 | 59.9 Ų | 59.9 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | trans | -127.6 | -5.8 | 176.8 | 61.1 | 0 | 0 | 0 | 0 | 112.8 | T644 S774 N775 F776 | T644-T694 PolarHBondContact O-N 3.11Å; T694-S774 CarbonylContact O-C 3.56Å; T694-N775 PolarHBondContact O-N 3.4Å; T694-F776 VanDerWaalsContact C-CE1 3.46Å; T694-F776 VanDerWaalsContact C-CZ 3.45Å; T694-F776 WeakPolarHBondContact O-CD1 3.42Å; T694-F776 WeakPolarHBondContact O-CE1 3.4Å; T694-F776 PolarHBondContact O-N 3.04Å | ||
| 695 | A | 93.2 | Very high | 85.5 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 11% | 0.107 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 153.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | T644 T645 K646 V773 F776 | T644-A695 PolarHBondContact O-N 3.2Å; T644-A695 VanDerWaalsContact O-N 3.14Å; T645-A695 CarbonylContact C-O 3.52Å; T645-A695 WeakPolarHBondContact CA-O 3.38Å; T645-A695 HydrophobicContact CG2-CB 4.29Å; K646-A695 PolarHBondContact N-O 3.32Å; A695-V773 CarbonylContact C-O 2.88Å; A695-V773 VanDerWaalsContact CA-O 3.22Å; A695-V773 WeakPolarHBondContact CA-O 3.5Å; A695-F776 VanDerWaalsContact CA-CE1 3.41Å |
| 696 | I | 93.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 136.8 | 171.3 | -173.1 | 168.2 | 0 | 0 | 0 | 109 | K646 Y662 F683 F698 V773 F776 I782 | K646-I696 HydrophobicContact CB-CB 4.29Å; K646-I696 HydrophobicContact CB-CD1 4.18Å; K646-I696 HydrophobicContact CB-CG1 4.18Å; K646-I696 HydrophobicContact CG-CD1 4.22Å; Y662-I696 WeakPolarHBondContact OH-CD1 3.33Å; F683-I696 HydrophobicContact CD1-CD1 4.03Å; F683-I696 HydrophobicContact CE1-CD1 4.39Å; F683-I696 HydrophobicContact CG-CD1 4.21Å; I696-F698 HydrophobicContact CB-CZ 4.29Å; I696-F698 HydrophobicContact CD1-CE1 3.74Å; I696-F698 HydrophobicContact CD1-CZ 3.64Å; I696-F698 HydrophobicContact CG1-CE1 3.9Å; I696-F698 HydrophobicContact CG1-CE2 4.3Å; I696-F698 HydrophobicContact CG1-CZ 3.68Å; I696-F698 HydrophobicContact CG2-CE2 3.8Å; I696-F698 HydrophobicContact CG2-CZ 3.67Å; I696-V773 HydrophobicContact CG2-CB 3.9Å; I696-V773 HydrophobicContact CG2-CG1 4.26Å; I696-V773 PolarHBondContact N-O 3.42Å; I696-V773 WeakPolarHBondContact O-CB 2.96Å; I696-V773 PolarHBondContact O-N 3.03Å; I696-V773 VanDerWaalsContact O-O 3.13Å; I696-F776 HydrophobicContact CB-CE1 4.49Å; I696-F776 HydrophobicContact CG2-CE1 3.96Å; I696-F776 HydrophobicContact CG2-CZ 4.34Å; I696-I782 HydrophobicContact CG2-CD1 3.8Å |
| 697 | N | 93.5 | Very high | 83.6 | Confident | 11 Ų | 11 | 68 Ų | 68 | 6% | 0.059 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.7 | -176 | -52.6 | -41.8 | 0 | 0 | 0 | 110.6 | T670 Y672 Y673 V771 Y772 | T670-N697 HydrophobicContact CG2-CB 4.46Å; T670-N697 VanDerWaalsContact CG2-ND2 3.29Å; T670-N697 WeakPolarHBondContact CG2-ND2 3.37Å; T670-N697 PolarHBondContact OG1-ND2 3.45Å; Y672-N697 HydrophobicContact CD1-CB 3.72Å; Y672-N697 HydrophobicContact CE1-CB 4.12Å; Y673-N697 PolarHBondContact N-O 3.3Å; N697-V771 CarbonylContact C-O 3.52Å; N697-V771 WeakPolarHBondContact CA-O 3.18Å; N697-Y772 HydrophobicContact CB-CD1 4.28Å; N697-Y772 WeakPolarHBondContact OD1-CD1 3.48Å |
| 698 | F | 93.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 154.9 | -178.7 | -48 | -81.9 | 0 | 0 | 0 | 111.2 | Y673 L675 F683 I696 V771 V773 I784 | Y673-F698 HydrophobicContact CD1-CD1 4.31Å; Y673-F698 HydrophobicContact CG-CD1 4.48Å; Y673-F698 WeakPolarHBondContact O-CA 2.97Å; L675-F698 HydrophobicContact CD1-CB 3.61Å; L675-F698 HydrophobicContact CD1-CD1 4.24Å; L675-F698 HydrophobicContact CD1-CG 4.03Å; L675-F698 HydrophobicContact CD2-CD1 4.03Å; L675-F698 HydrophobicContact CG-CB 3.99Å; L675-F698 HydrophobicContact CG-CD1 4.23Å; L675-F698 HydrophobicContact CG-CG 4.42Å; F683-F698 AromaticContact CD2-CE1 3.86Å; F683-F698 HydrophobicContact CD2-CE1 3.86Å; F683-F698 HydrophobicContact CD2-CZ 4.08Å; F683-F698 HydrophobicContact CE1-CE1 4.3Å; F683-F698 HydrophobicContact CE2-CD1 4.21Å; F683-F698 AromaticContact CE2-CE1 3.35Å; F683-F698 HydrophobicContact CE2-CE1 3.35Å; F683-F698 HydrophobicContact CE2-CZ 4.01Å; F683-F698 HydrophobicContact CZ-CD1 4.3Å; F683-F698 AromaticContact CZ-CE1 3.61Å; F683-F698 HydrophobicContact CZ-CE1 3.61Å; I696-F698 HydrophobicContact CB-CZ 4.29Å; I696-F698 HydrophobicContact CD1-CE1 3.74Å; I696-F698 HydrophobicContact CD1-CZ 3.64Å; I696-F698 HydrophobicContact CG1-CE1 3.9Å; I696-F698 HydrophobicContact CG1-CE2 4.3Å; I696-F698 HydrophobicContact CG1-CZ 3.68Å; I696-F698 HydrophobicContact CG2-CE2 3.8Å; I696-F698 HydrophobicContact CG2-CZ 3.67Å; F698-V771 HydrophobicContact CB-CB 4.15Å; F698-V771 HydrophobicContact CD2-CB 4.24Å; F698-V771 HydrophobicContact CD2-CG1 4.23Å; F698-V771 PolarHBondContact N-O 2.95Å; F698-V771 PolarHBondContact O-N 2.04Å; F698-V773 HydrophobicContact CD2-CG2 4.25Å; F698-V773 HydrophobicContact CE2-CB 4.39Å; F698-V773 HydrophobicContact CE2-CG2 3.81Å; F698-I784 HydrophobicContact CB-CD1 4.49Å; F698-I784 HydrophobicContact CD1-CG2 4.46Å; F698-I784 HydrophobicContact CD2-CD1 3.74Å; F698-I784 HydrophobicContact CE1-CG2 4.27Å; F698-I784 HydrophobicContact CE2-CD1 4.16Å; F698-I784 HydrophobicContact CG-CD1 4.12Å; F698-I784 HydrophobicContact CZ-CG2 4.29Å |
| 699 | V | 90.1 | Very high | 83.2 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.024 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.2 | 173.9 | 66.2 | 0 | 0 | 0 | 0 | 109.6 | Y672 Y673 T674 L675 T768 F769 F770 | Y672-V699 HydrophobicContact CG-CB 4.45Å; Y673-V699 PolarHBondContact O-N 3.45Å; T674-V699 WeakPolarHBondContact CA-O 3.43Å; T674-V699 HydrophobicContact CG2-CG1 4.47Å; L675-V699 PolarHBondContact N-O 3.01Å; V699-T768 HydrophobicContact CG2-CG2 3.14Å; V699-F769 WeakPolarHBondContact CA-O 3.29Å; V699-F770 HydrophobicContact CB-CD1 4.37Å; V699-F770 HydrophobicContact CG2-CD1 4.01Å; V699-F770 HydrophobicContact CG2-CE1 3.83Å; V699-F770 HydrophobicContact CG2-CZ 4.48Å |
| 700 | A | 88.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 130.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L675 I677 F769 F786 | L675-A700 HydrophobicContact CB-CB 4.33Å; I677-A700 HydrophobicContact CD1-CB 4.33Å; A700-F769 PolarHBondContact N-O 2.93Å; A700-F769 PolarHBondContact O-N 3.36Å; A700-F786 HydrophobicContact CB-CD1 4.26Å; A700-F786 HydrophobicContact CB-CD2 3.72Å; A700-F786 HydrophobicContact CB-CE1 4.25Å; A700-F786 HydrophobicContact CB-CE2 3.75Å; A700-F786 HydrophobicContact CB-CG 3.98Å; A700-F786 HydrophobicContact CB-CZ 4.02Å |
| 701 | T | 84.5 | Confident | 83.6 | Confident | 63 Ų | 63 | 54.8 Ų | 54.8 | 39% | 0.387 | 27% | 0.271 | S | S | . | . | trans | -119.6 | 108.1 | 176.2 | -56.2 | 0 | 0 | 0 | 0 | 107.3 | T768 | T701-T768 PolarHBondContact OG1-OG1 2.78Š| ||
| 702 | P | 80.8 | Confident | 83.9 | Confident | 32 Ų | 32 | 50.9 Ų | 50.9 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | trans | -60.4 | 137.8 | 177.4 | -22.8 | 34.3 | 0 | 0 | 0 | 111.7 | L709 I767 F769 | P702-L709 HydrophobicContact CG-CD1 4.2Å; P702-L709 HydrophobicContact CG-CD2 3.85Å; P702-I767 WeakPolarHBondContact CD-O 3.41Å; P702-F769 HydrophobicContact CG-CD2 4.01Å; P702-F769 HydrophobicContact CG-CE2 3.79Å | ||
| 703 | E | 73 | Confident | 84.2 | Confident | 162 Ų | 162 | 46.1 Ų | 46.1 | 76% | 0.757 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -87.9 | -33.2 | -178.5 | -65.4 | -174.5 | -179.9 | 0 | 0 | 112.2 | P705 | E703-P705 WeakPolarHBondContact O-CD 3.28Š|
| 704 | E | 70.8 | Confident | 84.2 | Confident | 80 Ų | 80 | 46.5 Ų | 46.5 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -96.1 | 116.1 | -179.3 | -64.6 | -169.5 | 155.6 | 0 | 0 | 111.7 | R707 Q788 | E704-R707 IonicContact OE1-CZ 2.63Å; E704-R707 IonicContact OE1-NH1 2.79Å; E704-R707 IonicContact OE1-NH2 3.53Å; E704-R707 WeakPolarHBondContact OE2-CD 3.45Å; E704-R707 IonicContact OE2-CZ 2.89Å; E704-R707 IonicContact OE2-NE 3.37Å; E704-R707 PolarHBondContact OE2-NE 3.35Å; E704-R707 VanDerWaalsContact OE2-NE 3.14Å; E704-R707 IonicContact OE2-NH1 3.94Å; E704-R707 PolarHBondContact OE2-NH1 3.38Å; E704-R707 IonicContact OE2-NH2 2.59Å; E704-Q788 PolarHBondContact O-NE2 2.87Å; E704-Q788 VanDerWaalsContact O-NE2 3.08Å |
| 705 | P | 63.3 | Low | 84.3 | Confident | 99 Ų | 99 | 43.8 Ų | 43.8 | 64% | 0.643 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 147.9 | 175.3 | 28.5 | -33.1 | 0 | 0 | 0 | 110.9 | E703 | E703-P705 WeakPolarHBondContact O-CD 3.28Š|
| 706 | N | 64.9 | Low | 84.2 | Confident | 86 Ų | 86 | 46.6 Ų | 46.6 | 46% | 0.46 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 23.9 | 175.2 | -58.3 | -52.1 | 0 | 0 | 0 | 117.8 | N756 | N706-N756 WeakPolarHBondContact CA-ND2 3.23Å; N706-N756 WeakPolarHBondContact CB-ND2 3.33Å; N706-N756 PolarHBondContact O-ND2 2.96Å; N706-N756 PolarHBondContact OD1-ND2 2.93Å |
| 707 | R | 72 | Confident | 84.1 | Confident | 118 Ų | 118 | 49.5 Ų | 49.5 | 45% | 0.445 | 26% | 0.259 | S | S | . | . | trans | -116.6 | 150.9 | 172.2 | -67.2 | -161.2 | -178.1 | 165.8 | 11.1 | 112.1 | E704 | E704-R707 IonicContact OE1-CZ 2.63Å; E704-R707 IonicContact OE1-NH1 2.79Å; E704-R707 IonicContact OE1-NH2 3.53Å; E704-R707 WeakPolarHBondContact OE2-CD 3.45Å; E704-R707 IonicContact OE2-CZ 2.89Å; E704-R707 IonicContact OE2-NE 3.37Å; E704-R707 PolarHBondContact OE2-NE 3.35Å; E704-R707 VanDerWaalsContact OE2-NE 3.14Å; E704-R707 IonicContact OE2-NH1 3.94Å; E704-R707 PolarHBondContact OE2-NH1 3.38Å; E704-R707 IonicContact OE2-NH2 2.59Å | ||
| 708 | D | 76.1 | Confident | 84 | Confident | 82 Ų | 82 | 51.9 Ų | 51.9 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | trans | -65.7 | 142.2 | 176.1 | -60.8 | -17.2 | 0 | 0 | 0 | 110 | F754 S755 N756 | D708-F754 WeakPolarHBondContact CA-O 3.45Å; D708-S755 VanDerWaalsContact OD1-CA 3.23Å; D708-S755 WeakPolarHBondContact OD1-CA 3.24Å; D708-N756 PolarHBondContact OD1-N 2.98Å | ||
| 709 | L | 83.5 | Confident | 84.1 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 111.3 | -176.7 | -175.7 | 69 | 0 | 0 | 0 | 109.7 | I677 P702 F754 F769 F786 Q788 | I677-L709 HydrophobicContact CD1-CD1 4.34Å; P702-L709 HydrophobicContact CG-CD1 4.2Å; P702-L709 HydrophobicContact CG-CD2 3.85Å; L709-F754 PolarHBondContact N-O 3.07Å; L709-F754 PolarHBondContact O-N 3.5Å; L709-F769 HydrophobicContact CD2-CD1 4.45Å; L709-F769 HydrophobicContact CD2-CD2 3.69Å; L709-F769 HydrophobicContact CD2-CE1 4.21Å; L709-F769 HydrophobicContact CD2-CE2 3.43Å; L709-F769 VanDerWaalsContact CD2-CE2 3.43Å; L709-F769 HydrophobicContact CD2-CG 4.2Å; L709-F769 HydrophobicContact CD2-CZ 3.71Å; L709-F786 HydrophobicContact CD1-CB 4.28Å; L709-F786 HydrophobicContact CD1-CD1 3.94Å; L709-F786 HydrophobicContact CD2-CD1 3.61Å; L709-F786 HydrophobicContact CD2-CE1 3.83Å; L709-F786 HydrophobicContact CG-CD1 3.77Å; L709-F786 HydrophobicContact CG-CE1 4.37Å; L709-Q788 HydrophobicContact CD1-CG 3.94Å |
| 710 | D | 86.2 | Confident | 84.3 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 34% | 0.342 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 129.9 | 175.9 | -70.9 | -26.4 | 0 | 0 | 0 | 110.2 | S753 F786 S787 | D710-S753 WeakPolarHBondContact OD1-CB 3.41Å; D710-S753 PolarHBondContact OD1-OG 2.66Å; D710-F786 CarbonylContact O-C 3.51Å; D710-F786 WeakPolarHBondContact O-CA 3.45Å; D710-S787 PolarHBondContact N-O 3.47Å; D710-S787 PolarHBondContact O-N 2.92Å |
| 711 | V | 90.3 | Very high | 84.5 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.6 | 178.7 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | I723 K751 D752 F754 F786 | V711-I723 HydrophobicContact CG1-CD1 4.22Å; V711-K751 VanDerWaalsContact O-CA 3.28Å; V711-K751 WeakPolarHBondContact O-CA 3.04Å; V711-D752 PolarHBondContact N-O 2.79Å; V711-D752 PolarHBondContact O-N 2.72Å; V711-F754 HydrophobicContact CB-CE2 4.2Å; V711-F754 HydrophobicContact CG2-CD2 3.62Å; V711-F754 HydrophobicContact CG2-CE2 3.36Å; V711-F754 HydrophobicContact CG2-CZ 4.32Å; V711-F786 HydrophobicContact CB-CD1 4.46Å; V711-F786 HydrophobicContact CB-CE1 4.22Å; V711-F786 HydrophobicContact CG1-CE1 4.03Å; V711-F786 HydrophobicContact CG1-CE2 4.42Å; V711-F786 HydrophobicContact CG1-CZ 3.97Å; V711-F786 HydrophobicContact CG2-CD1 3.53Å; V711-F786 HydrophobicContact CG2-CE1 3.23Å; V711-F786 HydrophobicContact CG2-CZ 4.02Å |
| 712 | F | 92.3 | Very high | 84.9 | Confident | 46 Ų | 46 | 53 Ų | 53 | 20% | 0.202 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 127.3 | 175.8 | 174.2 | -105.5 | 0 | 0 | 0 | 110.2 | N714 E749 K751 I784 A785 | F712-N714 HydrophobicContact CE1-CB 4.03Å; F712-N714 HydrophobicContact CE2-CB 4.22Å; F712-N714 HydrophobicContact CZ-CB 3.57Å; F712-E749 HydrophobicContact CE2-CG 4.16Å; F712-E749 WeakPolarHBondContact CE2-OE1 3.16Å; F712-K751 HydrophobicContact CD2-CB 4.19Å; F712-K751 HydrophobicContact CD2-CD 4.32Å; F712-K751 HydrophobicContact CD2-CG 4.27Å; F712-I784 CarbonylContact O-C 3.54Å; F712-I784 VanDerWaalsContact O-CA 3.29Å; F712-I784 WeakPolarHBondContact O-CA 3.41Å; F712-A785 PolarHBondContact N-O 3.3Å; F712-A785 PolarHBondContact O-N 3.48Å |
| 713 | I | 93.7 | Very high | 85.4 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 131.2 | 169.7 | -174.4 | 175.6 | 0 | 0 | 0 | 110.7 | F719 L721 E749 F750 V773 I782 Q783 I784 | I713-F719 HydrophobicContact CD1-CE2 3.74Å; I713-F719 HydrophobicContact CD1-CZ 3.87Å; I713-F719 HydrophobicContact CG1-CE2 4.26Å; I713-F719 HydrophobicContact CG1-CZ 3.88Å; I713-F719 HydrophobicContact CG2-CE2 4.29Å; I713-F719 HydrophobicContact CG2-CZ 4.04Å; I713-L721 HydrophobicContact CD1-CD1 4.16Å; I713-L721 HydrophobicContact CG2-CD1 4.34Å; I713-L721 HydrophobicContact CG2-CD2 3.81Å; I713-E749 CarbonylContact O-C 3.58Å; I713-E749 VanDerWaalsContact O-CA 3.3Å; I713-E749 WeakPolarHBondContact O-CA 3.08Å; I713-F750 HydrophobicContact CG2-CB 3.67Å; I713-F750 HydrophobicContact CG2-CD1 4.15Å; I713-F750 HydrophobicContact CG2-CG 4.39Å; I713-F750 PolarHBondContact N-O 3.35Å; I713-F750 PolarHBondContact O-N 3.04Å; I713-V773 HydrophobicContact CD1-CG2 3.42Å; I713-V773 VanDerWaalsContact CD1-CG2 3.42Å; I713-I782 HydrophobicContact CD1-CG2 4.13Å; I713-I782 HydrophobicContact CG1-CG2 4.17Å; I713-Q783 CarbonylContact C-O 3.29Å; I713-Q783 VanDerWaalsContact CA-O 3.24Å; I713-Q783 WeakPolarHBondContact CA-O 3.35Å; I713-Q783 WeakPolarHBondContact CG1-O 3.41Å; I713-I784 HydrophobicContact CB-CG1 4.32Å; I713-I784 HydrophobicContact CD1-CD1 4.24Å; I713-I784 HydrophobicContact CG1-CB 4.3Å |
| 714 | N | 93.4 | Very high | 86.2 | Confident | 50 Ų | 50 | 44.1 Ų | 44.1 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 136.6 | 178.7 | -177.9 | 1 | 0 | 0 | 0 | 109.6 | F712 K748 E749 I782 Q783 | F712-N714 HydrophobicContact CE1-CB 4.03Å; F712-N714 HydrophobicContact CE2-CB 4.22Å; F712-N714 HydrophobicContact CZ-CB 3.57Å; N714-K748 PolarHBondContact OD1-O 3.06Å; N714-E749 HydrophobicContact CB-CG 4.32Å; N714-I782 CarbonylContact O-C 3.43Å; N714-Q783 PolarHBondContact N-O 3.19Å; N714-Q783 PolarHBondContact O-N 3.41Å |
| 715 | A | 93.1 | Very high | 86.9 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 153.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K717 F719 K748 I780 K781 I782 | A715-K717 PolarHBondContact O-N 3.41Å; A715-F719 HydrophobicContact CB-CD1 3.53Å; A715-F719 HydrophobicContact CB-CE1 3.49Å; A715-F719 VanDerWaalsContact CB-CE1 3.49Å; A715-K748 PolarHBondContact N-O 2.92Å; A715-I780 HydrophobicContact CB-CD1 4Å; A715-I780 HydrophobicContact CB-CG1 4.32Å; A715-K781 CarbonylContact C-O 3.55Å; A715-K781 WeakPolarHBondContact CA-O 3.35Å; A715-K781 WeakPolarHBondContact CB-O 3.29Å; A715-I782 HydrophobicContact CB-CB 4.46Å; A715-I782 HydrophobicContact CB-CG1 3.95Å |
| 716 | S | 91.9 | Very high | 87.7 | Confident | 71 Ų | 71 | 37.7 Ų | 37.7 | 50% | 0.497 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | -18.3 | 179.8 | 65 | 0 | 0 | 0 | 0 | 113.9 | K781 | S716-K781 PolarHBondContact N-O 2.91Å; S716-K781 PolarHBondContact OG-N 2.78Å |
| 717 | K | 91.1 | Very high | 88 | Confident | 61 Ų | 61 | 37.1 Ų | 37.1 | 27% | 0.265 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 162.4 | 179.1 | -70.7 | -179 | 174.5 | -177.9 | 0 | 109.8 | A715 T777 W778 P779 I780 | A715-K717 PolarHBondContact O-N 3.41Å; K717-T777 WeakPolarHBondContact CD-O 3.01Å; K717-T777 WeakPolarHBondContact CD-OG1 3.47Å; K717-T777 PolarHBondContact NZ-O 3.33Å; K717-T777 PolarHBondContact NZ-OG1 3.05Å; K717-T777 VanDerWaalsContact NZ-OG1 3.12Å; K717-W778 PolarHBondContact NZ-O 3.4Å; K717-P779 WeakPolarHBondContact CD-O 3.45Å; K717-P779 WeakPolarHBondContact CE-O 3.1Å; K717-P779 PolarHBondContact NZ-O 3.26Å; K717-I780 HydrophobicContact CB-CD1 3.95Å; K717-I780 HydrophobicContact CB-CG1 4.22Å |
| 718 | N | 92.1 | Very high | 87.6 | Confident | 61 Ų | 61 | 34.7 Ų | 34.7 | 33% | 0.326 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 142.2 | -180 | -58.8 | 9.8 | 0 | 0 | 0 | 111.1 | N746 I747 K748 | N718-N746 WeakPolarHBondContact CB-OD1 3.38Å; N718-N746 PolarHBondContact ND2-OD1 3.1Å; N718-I747 CarbonylContact C-O 3.55Å; N718-I747 VanDerWaalsContact CA-O 3.27Å; N718-I747 WeakPolarHBondContact CA-O 3.22Å; N718-K748 WeakPolarHBondContact OD1-CE 3.42Å; N718-K748 WeakPolarHBondContact OD1-CG 3.33Å |
| 719 | F | 93.9 | Very high | 87 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 165.6 | 177.3 | 62.2 | -86.4 | 0 | 0 | 0 | 111.2 | I713 A715 L721 N746 I747 K748 V773 F776 | I713-F719 HydrophobicContact CD1-CE2 3.74Å; I713-F719 HydrophobicContact CD1-CZ 3.87Å; I713-F719 HydrophobicContact CG1-CE2 4.26Å; I713-F719 HydrophobicContact CG1-CZ 3.88Å; I713-F719 HydrophobicContact CG2-CE2 4.29Å; I713-F719 HydrophobicContact CG2-CZ 4.04Å; A715-F719 HydrophobicContact CB-CD1 3.53Å; A715-F719 HydrophobicContact CB-CE1 3.49Å; A715-F719 VanDerWaalsContact CB-CE1 3.49Å; F719-L721 HydrophobicContact CD2-CB 4.19Å; F719-L721 HydrophobicContact CE2-CB 3.87Å; F719-L721 HydrophobicContact CE2-CD1 4.26Å; F719-L721 HydrophobicContact CE2-CG 4.45Å; F719-N746 WeakPolarHBondContact O-CA 3.47Å; F719-N746 PolarHBondContact O-N 3.3Å; F719-N746 VanDerWaalsContact O-N 3.09Å; F719-I747 VanDerWaalsContact CD1-O 3.26Å; F719-I747 WeakPolarHBondContact CD1-O 3.41Å; F719-I747 HydrophobicContact CD2-CG1 4.38Å; F719-I747 HydrophobicContact CE2-CD1 4.02Å; F719-I747 HydrophobicContact CE2-CG1 4.12Å; F719-I747 HydrophobicContact CZ-CD1 4.18Å; F719-I747 HydrophobicContact CZ-CG1 4.27Å; F719-I747 PolarHBondContact N-O 3.39Å; F719-I747 WeakPolarHBondContact O-CG1 3.22Å; F719-I747 PolarHBondContact O-N 2.95Å; F719-K748 WeakPolarHBondContact CE1-O 3.41Å; F719-V773 HydrophobicContact CB-CG1 3.94Å; F719-V773 HydrophobicContact CD2-CG1 3.65Å; F719-V773 HydrophobicContact CE2-CG1 4.37Å; F719-V773 HydrophobicContact CG-CG1 3.92Å; F719-F776 HydrophobicContact CB-CB 4.29Å |
| 720 | N | 94.4 | Very high | 85.7 | Confident | 34 Ų | 34 | 37.6 Ų | 37.6 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 135.1 | 168.3 | -66.2 | -4 | 0 | 0 | 0 | 109.2 | R744 C745 N746 V773 S774 N775 | N720-R744 CarbonylContact C-O 3.57Å; N720-R744 WeakPolarHBondContact CA-O 3.36Å; N720-C745 VanDerWaalsContact OD1-CA 3.27Å; N720-C745 WeakPolarHBondContact OD1-CA 3.25Å; N720-C745 WeakPolarHBondContact OD1-CB 3.38Å; N720-N746 PolarHBondContact OD1-N 3Å; N720-V773 WeakPolarHBondContact O-CA 3.04Å; N720-S774 PolarHBondContact N-O 3.49Å; N720-S774 PolarHBondContact O-N 2.77Å; N720-N775 HydrophobicContact CB-CB 4.45Å |
| 721 | L | 94.2 | Very high | 83.9 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.3 | -178.6 | -177.1 | 64.6 | 0 | 0 | 0 | 110 | I713 F719 I723 S743 R744 I747 F750 V771 Y772 V773 | I713-L721 HydrophobicContact CD1-CD1 4.16Å; I713-L721 HydrophobicContact CG2-CD1 4.34Å; I713-L721 HydrophobicContact CG2-CD2 3.81Å; F719-L721 HydrophobicContact CD2-CB 4.19Å; F719-L721 HydrophobicContact CE2-CB 3.87Å; F719-L721 HydrophobicContact CE2-CD1 4.26Å; F719-L721 HydrophobicContact CE2-CG 4.45Å; L721-I723 HydrophobicContact CD1-CD1 4.4Å; L721-I723 HydrophobicContact CD1-CG1 4.11Å; L721-I723 HydrophobicContact CD2-CD1 4.11Å; L721-I723 HydrophobicContact CD2-CG1 4.45Å; L721-I723 HydrophobicContact CG-CD1 4.34Å; L721-I723 HydrophobicContact CG-CG1 4.15Å; L721-S743 WeakPolarHBondContact O-CA 3.44Å; L721-R744 PolarHBondContact N-O 3.07Å; L721-R744 PolarHBondContact O-N 3.22Å; L721-I747 HydrophobicContact CB-CD1 3.91Å; L721-I747 HydrophobicContact CD2-CD1 4.05Å; L721-F750 HydrophobicContact CD2-CB 3.65Å; L721-F750 HydrophobicContact CD2-CD1 3.46Å; L721-F750 VanDerWaalsContact CD2-CD1 3.46Å; L721-F750 HydrophobicContact CD2-CD2 4.18Å; L721-F750 HydrophobicContact CD2-CE1 4.13Å; L721-F750 HydrophobicContact CD2-CG 3.48Å; L721-F750 VanDerWaalsContact CD2-CG 3.48Å; L721-V771 HydrophobicContact CD1-CG1 3.55Å; L721-Y772 WeakPolarHBondContact CA-O 3.4Å; L721-V773 HydrophobicContact CD1-CG2 4.05Å |
| 722 | N | 93.1 | Very high | 82 | Confident | 55 Ų | 55 | 40.6 Ų | 40.6 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 125.9 | 168.2 | -172.1 | 18.3 | 0 | 0 | 0 | 108.6 | I742 Y772 | N722-I742 WeakPolarHBondContact CA-O 3.49Å; N722-I742 PolarHBondContact OD1-O 2.78Å; N722-Y772 HydrophobicContact CB-CD2 4.44Å; N722-Y772 PolarHBondContact N-O 3.26Å; N722-Y772 PolarHBondContact O-N 3.22Å |
| 723 | I | 90.8 | Very high | 79.9 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127 | 177 | -53.7 | 171.7 | 0 | 0 | 0 | 108.6 | V711 L721 I741 I742 F750 F754 F769 F770 V771 | V711-I723 HydrophobicContact CG1-CD1 4.22Å; L721-I723 HydrophobicContact CD1-CD1 4.4Å; L721-I723 HydrophobicContact CD1-CG1 4.11Å; L721-I723 HydrophobicContact CD2-CD1 4.11Å; L721-I723 HydrophobicContact CD2-CG1 4.45Å; L721-I723 HydrophobicContact CG-CD1 4.34Å; L721-I723 HydrophobicContact CG-CG1 4.15Å; I723-I741 HydrophobicContact CG2-CD1 4.39Å; I723-I741 WeakPolarHBondContact O-CB 3.45Å; I723-I741 PolarHBondContact O-N 3.25Å; I723-I742 HydrophobicContact CB-CG2 3.82Å; I723-I742 HydrophobicContact CD1-CG2 3.8Å; I723-I742 HydrophobicContact CG1-CG2 3.85Å; I723-I742 PolarHBondContact N-O 3.05Å; I723-I742 PolarHBondContact O-N 3.35Å; I723-F750 HydrophobicContact CD1-CD1 4.32Å; I723-F750 HydrophobicContact CD1-CE1 3.82Å; I723-F754 HydrophobicContact CD1-CZ 4.29Å; I723-F754 HydrophobicContact CG2-CE2 4.41Å; I723-F769 HydrophobicContact CG2-CD1 4.43Å; I723-F770 VanDerWaalsContact CA-O 3.31Å; I723-F770 WeakPolarHBondContact CA-O 3.29Å; I723-V771 HydrophobicContact CG1-CG1 4.13Å; I723-V771 HydrophobicContact CG1-CG2 4.22Å; I723-V771 HydrophobicContact CG2-CG2 4.34Å |
| 724 | T | 89.4 | Confident | 77.9 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.043 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 163.8 | 179.1 | 67.3 | 0 | 0 | 0 | 0 | 109.9 | E738 I739 P740 F769 F770 Y772 | T724-E738 PolarHBondContact OG1-OE2 3.47Å; T724-I739 VanDerWaalsContact CA-O 3.29Å; T724-I739 WeakPolarHBondContact CA-O 3.39Å; T724-P740 HydrophobicContact CG2-CB 4.43Å; T724-F769 WeakPolarHBondContact O-CA 3.29Å; T724-F770 PolarHBondContact N-O 3.06Å; T724-F770 PolarHBondContact O-N 3.01Å; T724-Y772 HydrophobicContact CG2-CE2 4.3Å |
| 725 | W | 85 | Confident | 76 | Confident | 37 Ų | 37 | 50.9 Ų | 50.9 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 156.3 | 173.2 | 73.1 | -76.8 | 0 | 0 | 0 | 112.2 | T727 I739 I741 I767 T768 F769 | W725-T727 HydrophobicContact CE3-CG2 4.47Å; W725-T727 HydrophobicContact CH2-CG2 4.35Å; W725-T727 HydrophobicContact CZ3-CG2 3.62Å; W725-I739 HydrophobicContact CH2-CD1 4.21Å; W725-I739 HydrophobicContact CZ2-CD1 3.64Å; W725-I739 PolarHBondContact N-O 3.12Å; W725-I739 PolarHBondContact O-N 2.76Å; W725-I741 HydrophobicContact CB-CD1 4.1Å; W725-I741 HydrophobicContact CG-CD1 4.13Å; W725-I741 HydrophobicContact CG-CG1 4.42Å; W725-I767 HydrophobicContact CB-CG2 4.5Å; W725-I767 HydrophobicContact CE3-CG2 3.92Å; W725-I767 HydrophobicContact CZ3-CG1 4.45Å; W725-T768 WeakPolarHBondContact CA-O 3.46Å; W725-F769 HydrophobicContact CB-CD1 4.2Å; W725-F769 HydrophobicContact CB-CE1 4.32Å |
| 726 | A | 81.5 | Confident | 74.3 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 5% | 0.05 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 159.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | T768 F770 | A726-T768 PolarHBondContact N-O 3.37Å; A726-T768 PolarHBondContact O-N 2.83Å; A726-F770 HydrophobicContact CB-CE2 4.09Å |
| 727 | T | 71.1 | Confident | 73.1 | Confident | 75 Ų | 75 | 58.1 Ų | 58.1 | 46% | 0.46 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -89.5 | 6.4 | -175.6 | 49.6 | 0 | 0 | 0 | 0 | 115 | W725 S764 N766 | W725-T727 HydrophobicContact CE3-CG2 4.47Å; W725-T727 HydrophobicContact CH2-CG2 4.35Å; W725-T727 HydrophobicContact CZ3-CG2 3.62Å; T727-S764 WeakPolarHBondContact CG2-OG 3.34Å; T727-N766 CarbonylContact C-O 3.51Å |
| 728 | S | 62.9 | Low | 72.4 | Confident | 67 Ų | 67 | 57.6 Ų | 57.6 | 47% | 0.469 | 34% | 0.339 | S | S | . | . | trans | -164.7 | 131.5 | 169.4 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 729 | F | 64.1 | Low | 71.9 | Confident | 56 Ų | 56 | 58.8 Ų | 58.8 | 25% | 0.246 | 35% | 0.345 | C | S | . | . | trans | -120.9 | 99.4 | 165.6 | -176.7 | -106 | 0 | 0 | 0 | 108.7 | T768 F770 | F729-T768 HydrophobicContact CB-CG2 4.11Å; F729-F770 HydrophobicContact CB-CZ 4.27Å; F729-F770 AromaticContact CD2-CE1 3.72Å; F729-F770 HydrophobicContact CD2-CE1 3.72Å; F729-F770 AromaticContact CD2-CZ 3.63Å; F729-F770 HydrophobicContact CD2-CZ 3.63Å; F729-F770 AromaticContact CE2-CE1 3.95Å; F729-F770 HydrophobicContact CE2-CE1 3.95Å; F729-F770 HydrophobicContact CE2-CZ 4.32Å; F729-F770 HydrophobicContact CG-CE1 4.44Å; F729-F770 HydrophobicContact CG-CZ 4.22Å | ||
| 730 | T | 56.2 | Low | 71.4 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 55% | 0.552 | 37% | 0.374 | S | S | * | . | trans | -96.2 | 123.2 | 169.1 | 25.4 | 0 | 0 | 0 | 0 | 108 | G732 T733 | T730-G732 PolarHBondContact O-N 2.02Å; T730-T733 WeakPolarHBondContact CB-OG1 3.36Å; T730-T733 PolarHBondContact O-N 2.82Å; T730-T733 PolarHBondContact O-OG1 2.77Å; T730-T733 VanDerWaalsContact O-OG1 3.11Å; T730-T733 PolarHBondContact OG1-OG1 3.11Å | ||
| 731 | A | 48.3 | Very low | 70.9 | Confident | 85 Ų | 85 | 63.3 Ų | 63.3 | 70% | 0.702 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 102.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 732 | G | 49.5 | Very low | 70.6 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 44% | 0.443 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 110.5 | -2.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | T730 | T730-G732 PolarHBondContact O-N 2.02Š|
| 733 | T | 48.2 | Very low | 70.5 | Confident | 91 Ų | 91 | 65.2 Ų | 65.2 | 56% | 0.558 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -98.5 | 158.4 | 172.5 | 31.3 | 0 | 0 | 0 | 0 | 111.8 | T730 T735 | T730-T733 WeakPolarHBondContact CB-OG1 3.36Å; T730-T733 PolarHBondContact O-N 2.82Å; T730-T733 PolarHBondContact O-OG1 2.77Å; T730-T733 VanDerWaalsContact O-OG1 3.11Å; T730-T733 PolarHBondContact OG1-OG1 3.11Å; T733-T735 PolarHBondContact O-N 2.74Å |
| 734 | Q | 52 | Low | 70.6 | Confident | 158 Ų | 158 | 70.8 Ų | 70.8 | 74% | 0.738 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 138.4 | 176.2 | -71.8 | 173 | 2 | 0 | 0 | 109.4 | G736 | Q734-G736 PolarHBondContact O-N 2.87Š|
| 735 | T | 52.5 | Low | 70.6 | Confident | 65 Ų | 65 | 74.6 Ų | 74.6 | 40% | 0.399 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 130.7 | 168.2 | 42.8 | 0 | 0 | 0 | 0 | 107.2 | T733 E738 | T733-T735 PolarHBondContact O-N 2.74Å; T735-E738 WeakPolarHBondContact CB-OE1 3.41Å; T735-E738 VanDerWaalsContact CG2-OE1 3.29Å; T735-E738 WeakPolarHBondContact CG2-OE1 3.39Å; T735-E738 PolarHBondContact OG1-OE1 2.86Å |
| 736 | G | 57.6 | Low | 70.9 | Confident | 38 Ų | 38 | 78.1 Ų | 78.1 | 39% | 0.392 | 46% | 0.458 | S | S | . | . | trans | -58.4 | -179.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q734 E738 | Q734-G736 PolarHBondContact O-N 2.87Å; G736-E738 PolarHBondContact O-N 2.81Å | ||
| 737 | E | 66.6 | Low | 71.4 | Confident | 188 Ų | 188 | 79.5 Ų | 79.5 | 88% | 0.879 | 46% | 0.464 | S | S | * | . | trans | -57.9 | 103.6 | 173 | -71.5 | -175.3 | 155.9 | 0 | 0 | 110.2 | ||||
| 738 | E | 77.5 | Confident | 72.2 | Confident | 51 Ų | 51 | 81.8 Ų | 81.8 | 24% | 0.238 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 127.3 | 175.2 | -73.9 | -178.9 | -143.1 | 0 | 0 | 109.4 | T724 T735 G736 F770 Y772 | T724-E738 PolarHBondContact OG1-OE2 3.47Å; T735-E738 WeakPolarHBondContact CB-OE1 3.41Å; T735-E738 VanDerWaalsContact CG2-OE1 3.29Å; T735-E738 WeakPolarHBondContact CG2-OE1 3.39Å; T735-E738 PolarHBondContact OG1-OE1 2.86Å; G736-E738 PolarHBondContact O-N 2.81Å; E738-F770 HydrophobicContact CG-CD2 4.5Å; E738-Y772 PolarHBondContact OE1-OH 3.37Å; E738-Y772 VanDerWaalsContact OE1-OH 3.07Å; E738-Y772 PolarHBondContact OE2-OH 3.25Å |
| 739 | I | 81.3 | Confident | 73.6 | Confident | 85 Ų | 85 | 84 Ų | 84 | 44% | 0.436 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 121.8 | 178 | -60.6 | 168.7 | 0 | 0 | 0 | 108.3 | T724 W725 | T724-I739 VanDerWaalsContact CA-O 3.29Å; T724-I739 WeakPolarHBondContact CA-O 3.39Å; W725-I739 HydrophobicContact CH2-CD1 4.21Å; W725-I739 HydrophobicContact CZ2-CD1 3.64Å; W725-I739 PolarHBondContact N-O 3.12Å; W725-I739 PolarHBondContact O-N 2.76Å |
| 740 | P | 82.9 | Confident | 74.9 | Confident | 97 Ų | 97 | 82.2 Ų | 82.2 | 63% | 0.63 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 133.1 | -179.9 | 29.4 | -33.6 | 0 | 0 | 0 | 111.6 | T724 | T724-P740 HydrophobicContact CG2-CB 4.43Å |
| 741 | I | 85.1 | Confident | 76.5 | Confident | 34 Ų | 34 | 85.7 Ų | 85.7 | 17% | 0.174 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -55.5 | 175.9 | -55.3 | -179.4 | 0 | 0 | 0 | 109.7 | I723 W725 F754 F759 F769 | I723-I741 HydrophobicContact CG2-CD1 4.39Å; I723-I741 WeakPolarHBondContact O-CB 3.45Å; I723-I741 PolarHBondContact O-N 3.25Å; W725-I741 HydrophobicContact CB-CD1 4.1Å; W725-I741 HydrophobicContact CG-CD1 4.13Å; W725-I741 HydrophobicContact CG-CG1 4.42Å; I741-F754 HydrophobicContact CG2-CD1 4.12Å; I741-F754 HydrophobicContact CG2-CE1 3.59Å; I741-F754 HydrophobicContact CG2-CZ 3.95Å; I741-F759 HydrophobicContact CG1-CE1 4.34Å; I741-F759 HydrophobicContact CG2-CE1 4.07Å; I741-F759 HydrophobicContact CG2-CZ 3.86Å; I741-F769 HydrophobicContact CD1-CD1 3.86Å; I741-F769 HydrophobicContact CD1-CE1 3.61Å |
| 742 | I | 87.8 | Confident | 78.3 | Confident | 22 Ų | 22 | 85 Ų | 85 | 11% | 0.113 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 139 | -174.5 | -156.6 | 83.2 | 0 | 0 | 0 | 110.1 | N722 I723 R744 F750 | N722-I742 WeakPolarHBondContact CA-O 3.49Å; N722-I742 PolarHBondContact OD1-O 2.78Å; I723-I742 HydrophobicContact CB-CG2 3.82Å; I723-I742 HydrophobicContact CD1-CG2 3.8Å; I723-I742 HydrophobicContact CG1-CG2 3.85Å; I723-I742 PolarHBondContact N-O 3.05Å; I723-I742 PolarHBondContact O-N 3.35Å; I742-R744 HydrophobicContact CG1-CG 4.14Å; I742-F750 HydrophobicContact CB-CZ 4.4Å; I742-F750 HydrophobicContact CG1-CE2 3.95Å; I742-F750 HydrophobicContact CG1-CZ 4.02Å; I742-F750 HydrophobicContact CG2-CE1 4.31Å; I742-F750 HydrophobicContact CG2-CE2 4.4Å; I742-F750 HydrophobicContact CG2-CZ 3.86Å |
| 743 | S | 91.1 | Very high | 80 | Confident | 74 Ų | 74 | 85.5 Ų | 85.5 | 52% | 0.517 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 127.2 | 168.8 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | L721 | L721-S743 WeakPolarHBondContact O-CA 3.44Å |
| 744 | R | 91.1 | Very high | 81.6 | Confident | 118 Ų | 118 | 81.4 Ų | 81.4 | 45% | 0.445 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 134.7 | -178.2 | -66.9 | -67.9 | -174.2 | -94 | 3 | 108.9 | N720 L721 I742 I747 F750 | N720-R744 CarbonylContact C-O 3.57Å; N720-R744 WeakPolarHBondContact CA-O 3.36Å; L721-R744 PolarHBondContact N-O 3.07Å; L721-R744 PolarHBondContact O-N 3.22Å; I742-R744 HydrophobicContact CG1-CG 4.14Å; R744-I747 HydrophobicContact CB-CD1 3.83Å; R744-I747 HydrophobicContact CB-CG1 4.27Å; R744-I747 HydrophobicContact CB-CG2 4.13Å; R744-F750 HydrophobicContact CG-CD2 4.47Å |
| 745 | C | 91.3 | Very high | 82.5 | Confident | 87 Ų | 87 | 75.2 Ų | 75.2 | 59% | 0.588 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 146.5 | 179.2 | -64.4 | 0 | 0 | 0 | 0 | 110.7 | N720 I747 | N720-C745 VanDerWaalsContact OD1-CA 3.27Å; N720-C745 WeakPolarHBondContact OD1-CA 3.25Å; N720-C745 WeakPolarHBondContact OD1-CB 3.38Å; C745-I747 PolarHBondContact O-N 3.36Å |
| 746 | N | 90.3 | Very high | 82.9 | Confident | 111 Ų | 111 | 73.2 Ų | 73.2 | 59% | 0.594 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 57.7 | 40.8 | 172.4 | -162.7 | 32.7 | 0 | 0 | 0 | 114.6 | N718 F719 N720 | N718-N746 WeakPolarHBondContact CB-OD1 3.38Å; N718-N746 PolarHBondContact ND2-OD1 3.1Å; F719-N746 WeakPolarHBondContact O-CA 3.47Å; F719-N746 PolarHBondContact O-N 3.3Å; F719-N746 VanDerWaalsContact O-N 3.09Å; N720-N746 PolarHBondContact OD1-N 3Å |
| 747 | I | 92.3 | Very high | 83 | Confident | 35 Ų | 35 | 80.1 Ų | 80.1 | 18% | 0.179 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 157 | 179.5 | 56 | 159.6 | 0 | 0 | 0 | 111.4 | N718 F719 L721 R744 C745 F750 | N718-I747 CarbonylContact C-O 3.55Å; N718-I747 VanDerWaalsContact CA-O 3.27Å; N718-I747 WeakPolarHBondContact CA-O 3.22Å; F719-I747 VanDerWaalsContact CD1-O 3.26Å; F719-I747 WeakPolarHBondContact CD1-O 3.41Å; F719-I747 HydrophobicContact CD2-CG1 4.38Å; F719-I747 HydrophobicContact CE2-CD1 4.02Å; F719-I747 HydrophobicContact CE2-CG1 4.12Å; F719-I747 HydrophobicContact CZ-CD1 4.18Å; F719-I747 HydrophobicContact CZ-CG1 4.27Å; F719-I747 PolarHBondContact N-O 3.39Å; F719-I747 WeakPolarHBondContact O-CG1 3.22Å; F719-I747 PolarHBondContact O-N 2.95Å; L721-I747 HydrophobicContact CB-CD1 3.91Å; L721-I747 HydrophobicContact CD2-CD1 4.05Å; R744-I747 HydrophobicContact CB-CD1 3.83Å; R744-I747 HydrophobicContact CB-CG1 4.27Å; R744-I747 HydrophobicContact CB-CG2 4.13Å; C745-I747 PolarHBondContact O-N 3.36Å; I747-F750 HydrophobicContact CD1-CB 3.77Å |
| 748 | K | 88.1 | Confident | 82.6 | Confident | 122 Ų | 122 | 77.1 Ų | 77.1 | 53% | 0.53 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -29.8 | 173.5 | -72.4 | -171.5 | 177.6 | -178 | 0 | 113.5 | N714 A715 N718 F719 | N714-K748 PolarHBondContact OD1-O 3.06Å; A715-K748 PolarHBondContact N-O 2.92Å; N718-K748 WeakPolarHBondContact OD1-CE 3.42Å; N718-K748 WeakPolarHBondContact OD1-CG 3.33Å; F719-K748 WeakPolarHBondContact CE1-O 3.41Å |
| 749 | E | 91.6 | Very high | 81.8 | Confident | 113 Ų | 113 | 77.5 Ų | 77.5 | 53% | 0.528 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 144 | -176.6 | -177.8 | 176.8 | -129.6 | 0 | 0 | 108.6 | F712 I713 N714 | F712-E749 HydrophobicContact CE2-CG 4.16Å; F712-E749 WeakPolarHBondContact CE2-OE1 3.16Å; I713-E749 CarbonylContact O-C 3.58Å; I713-E749 VanDerWaalsContact O-CA 3.3Å; I713-E749 WeakPolarHBondContact O-CA 3.08Å; N714-E749 HydrophobicContact CB-CG 4.32Å |
| 750 | F | 92.6 | Very high | 80.5 | Confident | 20 Ų | 20 | 78.2 Ų | 78.2 | 9% | 0.088 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 129 | 171.3 | 174.8 | -95.2 | 0 | 0 | 0 | 108.8 | I713 L721 I723 I742 R744 I747 D752 | I713-F750 HydrophobicContact CG2-CB 3.67Å; I713-F750 HydrophobicContact CG2-CD1 4.15Å; I713-F750 HydrophobicContact CG2-CG 4.39Å; I713-F750 PolarHBondContact N-O 3.35Å; I713-F750 PolarHBondContact O-N 3.04Å; L721-F750 HydrophobicContact CD2-CB 3.65Å; L721-F750 HydrophobicContact CD2-CD1 3.46Å; L721-F750 VanDerWaalsContact CD2-CD1 3.46Å; L721-F750 HydrophobicContact CD2-CD2 4.18Å; L721-F750 HydrophobicContact CD2-CE1 4.13Å; L721-F750 HydrophobicContact CD2-CG 3.48Å; L721-F750 VanDerWaalsContact CD2-CG 3.48Å; I723-F750 HydrophobicContact CD1-CD1 4.32Å; I723-F750 HydrophobicContact CD1-CE1 3.82Å; I742-F750 HydrophobicContact CB-CZ 4.4Å; I742-F750 HydrophobicContact CG1-CE2 3.95Å; I742-F750 HydrophobicContact CG1-CZ 4.02Å; I742-F750 HydrophobicContact CG2-CE1 4.31Å; I742-F750 HydrophobicContact CG2-CE2 4.4Å; I742-F750 HydrophobicContact CG2-CZ 3.86Å; R744-F750 HydrophobicContact CG-CD2 4.47Å; I747-F750 HydrophobicContact CD1-CB 3.77Å; F750-D752 HydrophobicContact CE1-CB 3.82Å; F750-D752 HydrophobicContact CE2-CB 4.29Å; F750-D752 HydrophobicContact CZ-CB 3.55Å |
| 751 | K | 89.5 | Confident | 79.4 | Confident | 162 Ų | 162 | 74.7 Ų | 74.7 | 70% | 0.704 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 126.5 | 176.4 | -173.4 | 177.9 | 177.9 | 178.7 | 0 | 108.2 | V711 F712 | V711-K751 VanDerWaalsContact O-CA 3.28Å; V711-K751 WeakPolarHBondContact O-CA 3.04Å; F712-K751 HydrophobicContact CD2-CB 4.19Å; F712-K751 HydrophobicContact CD2-CD 4.32Å; F712-K751 HydrophobicContact CD2-CG 4.27Å |
| 752 | D | 86.4 | Confident | 77.8 | Confident | 70 Ų | 70 | 82.3 Ų | 82.3 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 163.6 | 179.6 | -150.4 | -9.4 | 0 | 0 | 0 | 110.8 | V711 F750 F754 | V711-D752 PolarHBondContact N-O 2.79Å; V711-D752 PolarHBondContact O-N 2.72Å; F750-D752 HydrophobicContact CE1-CB 3.82Å; F750-D752 HydrophobicContact CE2-CB 4.29Å; F750-D752 HydrophobicContact CZ-CB 3.55Å; D752-F754 HydrophobicContact CB-CE1 4.4Å |
| 753 | S | 84.4 | Confident | 76.1 | Confident | 54 Ų | 54 | 87.6 Ų | 87.6 | 38% | 0.378 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 116.9 | 177.4 | -167.7 | 0 | 0 | 0 | 0 | 109.5 | D710 S755 | D710-S753 WeakPolarHBondContact OD1-CB 3.41Å; D710-S753 PolarHBondContact OD1-OG 2.66Å; S753-S755 PolarHBondContact O-N 3.35Å |
| 754 | F | 82.4 | Confident | 74.5 | Confident | 6 Ų | 6 | 85.9 Ų | 85.9 | 3% | 0.026 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 102.2 | 178.8 | -58.5 | -45.3 | 0 | 0 | 0 | 109.4 | D708 L709 V711 I723 I741 D752 F759 F769 | D708-F754 WeakPolarHBondContact CA-O 3.45Å; L709-F754 PolarHBondContact N-O 3.07Å; L709-F754 PolarHBondContact O-N 3.5Å; V711-F754 HydrophobicContact CB-CE2 4.2Å; V711-F754 HydrophobicContact CG2-CD2 3.62Å; V711-F754 HydrophobicContact CG2-CE2 3.36Å; V711-F754 HydrophobicContact CG2-CZ 4.32Å; I723-F754 HydrophobicContact CD1-CZ 4.29Å; I723-F754 HydrophobicContact CG2-CE2 4.41Å; I741-F754 HydrophobicContact CG2-CD1 4.12Å; I741-F754 HydrophobicContact CG2-CE1 3.59Å; I741-F754 HydrophobicContact CG2-CZ 3.95Å; D752-F754 HydrophobicContact CB-CE1 4.4Å; F754-F759 HydrophobicContact CB-CE2 4.42Å; F754-F759 HydrophobicContact CD1-CE2 4.33Å; F754-F769 HydrophobicContact CD2-CE1 4.02Å; F754-F769 HydrophobicContact CE2-CE1 4.49Å |
| 755 | S | 69.7 | Low | 72.9 | Confident | 27 Ų | 27 | 85.9 Ų | 85.9 | 19% | 0.189 | 44% | 0.438 | C | S | . | . | trans | -76.9 | 143.7 | -177.5 | 66.1 | 0 | 0 | 0 | 0 | 113 | D708 S753 E757 N758 | D708-S755 VanDerWaalsContact OD1-CA 3.23Å; D708-S755 WeakPolarHBondContact OD1-CA 3.24Å; S753-S755 PolarHBondContact O-N 3.35Å; S755-E757 PolarHBondContact O-N 3.15Å; S755-N758 PolarHBondContact O-N 2.99Å; S755-N758 PolarHBondContact OG-ND2 3.38Å | ||
| 756 | N | 61.8 | Low | 71.8 | Confident | 23 Ų | 23 | 87 Ų | 87 | 12% | 0.123 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.3 | -29.6 | -179.6 | -175.6 | 22.8 | 0 | 0 | 0 | 113.6 | N706 D708 N758 F761 | N706-N756 WeakPolarHBondContact CA-ND2 3.23Å; N706-N756 WeakPolarHBondContact CB-ND2 3.33Å; N706-N756 PolarHBondContact O-ND2 2.96Å; N706-N756 PolarHBondContact OD1-ND2 2.93Å; D708-N756 PolarHBondContact OD1-N 2.98Å; N756-N758 VanDerWaalsContact C-N 3.35Å; N756-N758 PolarHBondContact O-N 2.87Å; N756-F761 HydrophobicContact CB-CD2 4.13Å; N756-F761 WeakPolarHBondContact OD1-CB 3.02Å; N756-F761 WeakPolarHBondContact OD1-CD2 3.44Å |
| 757 | E | 58.9 | Low | 71.2 | Confident | 184 Ų | 184 | 82.6 Ų | 82.6 | 86% | 0.86 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -70 | -27.5 | -177.2 | -62.4 | -173.8 | 165.7 | 0 | 0 | 113.9 | S755 | S755-E757 PolarHBondContact O-N 3.15Å |
| 758 | N | 59.2 | Low | 70.9 | Confident | 125 Ų | 125 | 81.2 Ų | 81.2 | 67% | 0.668 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -92.1 | -15.5 | -173.2 | -72.8 | -34.1 | 0 | 0 | 0 | 114.1 | S755 N756 | S755-N758 PolarHBondContact O-N 2.99Å; S755-N758 PolarHBondContact OG-ND2 3.38Å; N756-N758 VanDerWaalsContact C-N 3.35Å; N756-N758 PolarHBondContact O-N 2.87Å |
| 759 | F | 61 | Low | 70.8 | Confident | 58 Ų | 58 | 75.5 Ų | 75.5 | 25% | 0.254 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -124.9 | 9.8 | -171.2 | -65.5 | -81.4 | 0 | 0 | 0 | 114.3 | I741 F754 F761 | I741-F759 HydrophobicContact CG1-CE1 4.34Å; I741-F759 HydrophobicContact CG2-CE1 4.07Å; I741-F759 HydrophobicContact CG2-CZ 3.86Å; F754-F759 HydrophobicContact CB-CE2 4.42Å; F754-F759 HydrophobicContact CD1-CE2 4.33Å; F759-F761 HydrophobicContact CB-CD1 4.1Å; F759-F761 HydrophobicContact CB-CE1 3.47Å; F759-F761 VanDerWaalsContact CB-CE1 3.47Å; F759-F761 HydrophobicContact CB-CE2 3.95Å; F759-F761 HydrophobicContact CB-CZ 3.37Å; F759-F761 HydrophobicContact CD2-CZ 4.31Å; F759-F761 HydrophobicContact CG-CE1 4.42Å; F759-F761 HydrophobicContact CG-CZ 4.07Å; F759-F761 PolarHBondContact O-N 2.9Å |
| 760 | D | 54 | Low | 70.7 | Confident | 100 Ų | 100 | 70.2 Ų | 70.2 | 54% | 0.535 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 39.5 | 56.5 | 176.4 | -159 | 18.1 | 0 | 0 | 0 | 114.9 | R762 | D760-R762 PolarHBondContact O-N 2.01Š|
| 761 | F | 59.6 | Low | 70.7 | Confident | 23 Ų | 23 | 69.3 Ų | 69.3 | 10% | 0.101 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -69.5 | 0.3 | -180 | -54.2 | -51.3 | 0 | 0 | 0 | 114.1 | N756 F759 N763 I767 F769 | N756-F761 HydrophobicContact CB-CD2 4.13Å; N756-F761 WeakPolarHBondContact OD1-CB 3.02Å; N756-F761 WeakPolarHBondContact OD1-CD2 3.44Å; F759-F761 HydrophobicContact CB-CD1 4.1Å; F759-F761 HydrophobicContact CB-CE1 3.47Å; F759-F761 VanDerWaalsContact CB-CE1 3.47Å; F759-F761 HydrophobicContact CB-CE2 3.95Å; F759-F761 HydrophobicContact CB-CZ 3.37Å; F759-F761 HydrophobicContact CD2-CZ 4.31Å; F759-F761 HydrophobicContact CG-CE1 4.42Å; F759-F761 HydrophobicContact CG-CZ 4.07Å; F759-F761 PolarHBondContact O-N 2.9Å; F761-N763 VanDerWaalsContact C-N 3.34Å; F761-N763 PolarHBondContact O-N 2.02Å; F761-I767 HydrophobicContact CB-CD1 3.61Å; F761-I767 HydrophobicContact CD1-CD1 3.32Å; F761-I767 HydrophobicContact CD1-CG1 4.27Å; F761-I767 HydrophobicContact CE1-CD1 4.25Å; F761-I767 HydrophobicContact CE1-CG2 4.36Å; F761-I767 HydrophobicContact CG-CD1 3.81Å; F761-F769 HydrophobicContact CE1-CZ 4.14Å; F761-F769 AromaticContact CZ-CZ 3.98Å; F761-F769 HydrophobicContact CZ-CZ 3.98Å |
| 762 | R | 50.4 | Low | 70.9 | Confident | 195 Ų | 195 | 63.5 Ų | 63.5 | 74% | 0.736 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -70.3 | -23.6 | -174.6 | -74.8 | -178.6 | 172.2 | -151.3 | -0.3 | 114.5 | D760 | D760-R762 PolarHBondContact O-N 2.01Š|
| 763 | N | 52.5 | Low | 71.3 | Confident | 132 Ų | 132 | 60.2 Ų | 60.2 | 71% | 0.706 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -103.5 | -2.2 | -170.8 | -76.5 | -28.4 | 0 | 0 | 0 | 114.9 | F761 | F761-N763 VanDerWaalsContact C-N 3.34Å; F761-N763 PolarHBondContact O-N 2.02Å |
| 764 | S | 57.1 | Low | 71.7 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | trans | -138.8 | 107.4 | -177 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | T727 N766 I767 | T727-S764 WeakPolarHBondContact CG2-OG 3.34Å; S764-N766 PolarHBondContact O-N 3.35Å; S764-I767 WeakPolarHBondContact O-CD1 3.25Å | ||
| 765 | P | 59 | Low | 72.2 | Confident | 119 Ų | 119 | 65 Ų | 65 | 77% | 0.773 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -69.6 | -14.5 | -174.4 | 25.7 | -33.2 | 0 | 0 | 0 | 114.7 | ||
| 766 | N | 67.6 | Low | 73.3 | Confident | 110 Ų | 110 | 63.9 Ų | 63.9 | 59% | 0.588 | 33% | 0.327 | S | S | * | . | trans | -125.8 | 79.9 | -175.3 | -65.1 | -20.3 | 0 | 0 | 0 | 111.2 | T727 S764 | T727-N766 CarbonylContact C-O 3.51Å; S764-N766 PolarHBondContact O-N 3.35Å | ||
| 767 | I | 77.8 | Confident | 74.6 | Confident | 19 Ų | 19 | 67.1 Ų | 67.1 | 10% | 0.097 | 35% | 0.348 | C | S | . | . | trans | -93.5 | 132.6 | 174.3 | -66.1 | 139.8 | 0 | 0 | 0 | 109.5 | P702 W725 F761 S764 F769 | P702-I767 WeakPolarHBondContact CD-O 3.41Å; W725-I767 HydrophobicContact CB-CG2 4.5Å; W725-I767 HydrophobicContact CE3-CG2 3.92Å; W725-I767 HydrophobicContact CZ3-CG1 4.45Å; F761-I767 HydrophobicContact CB-CD1 3.61Å; F761-I767 HydrophobicContact CD1-CD1 3.32Å; F761-I767 HydrophobicContact CD1-CG1 4.27Å; F761-I767 HydrophobicContact CE1-CD1 4.25Å; F761-I767 HydrophobicContact CE1-CG2 4.36Å; F761-I767 HydrophobicContact CG-CD1 3.81Å; S764-I767 WeakPolarHBondContact O-CD1 3.25Å; I767-F769 HydrophobicContact CG2-CD2 4.31Å; I767-F769 HydrophobicContact CG2-CE2 3.8Å; I767-F769 HydrophobicContact CG2-CZ 4.25Å | ||
| 768 | T | 84.7 | Confident | 76 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.1 | 178.6 | -58.9 | 0 | 0 | 0 | 0 | 109.8 | V699 T701 W725 A726 F729 F770 | V699-T768 HydrophobicContact CG2-CG2 3.14Å; T701-T768 PolarHBondContact OG1-OG1 2.78Å; W725-T768 WeakPolarHBondContact CA-O 3.46Å; A726-T768 PolarHBondContact N-O 3.37Å; A726-T768 PolarHBondContact O-N 2.83Å; F729-T768 HydrophobicContact CB-CG2 4.11Å; T768-F770 HydrophobicContact CG2-CE1 4.23Å; T768-F770 HydrophobicContact CG2-CE2 4.03Å; T768-F770 HydrophobicContact CG2-CZ 3.8Å |
| 769 | F | 87.4 | Confident | 77.6 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 1% | 0.013 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 133.3 | 175.1 | -68 | -96.1 | 0 | 0 | 0 | 110.1 | V699 A700 P702 L709 I723 T724 W725 I741 F754 F761 I767 F786 | V699-F769 WeakPolarHBondContact CA-O 3.29Å; A700-F769 PolarHBondContact N-O 2.93Å; A700-F769 PolarHBondContact O-N 3.36Å; P702-F769 HydrophobicContact CG-CD2 4.01Å; P702-F769 HydrophobicContact CG-CE2 3.79Å; L709-F769 HydrophobicContact CD2-CD1 4.45Å; L709-F769 HydrophobicContact CD2-CD2 3.69Å; L709-F769 HydrophobicContact CD2-CE1 4.21Å; L709-F769 HydrophobicContact CD2-CE2 3.43Å; L709-F769 VanDerWaalsContact CD2-CE2 3.43Å; L709-F769 HydrophobicContact CD2-CG 4.2Å; L709-F769 HydrophobicContact CD2-CZ 3.71Å; I723-F769 HydrophobicContact CG2-CD1 4.43Å; T724-F769 WeakPolarHBondContact O-CA 3.29Å; W725-F769 HydrophobicContact CB-CD1 4.2Å; W725-F769 HydrophobicContact CB-CE1 4.32Å; I741-F769 HydrophobicContact CD1-CD1 3.86Å; I741-F769 HydrophobicContact CD1-CE1 3.61Å; F754-F769 HydrophobicContact CD2-CE1 4.02Å; F754-F769 HydrophobicContact CE2-CE1 4.49Å; F761-F769 HydrophobicContact CE1-CZ 4.14Å; F761-F769 AromaticContact CZ-CZ 3.98Å; F761-F769 HydrophobicContact CZ-CZ 3.98Å; I767-F769 HydrophobicContact CG2-CD2 4.31Å; I767-F769 HydrophobicContact CG2-CE2 3.8Å; I767-F769 HydrophobicContact CG2-CZ 4.25Å; F769-F786 HydrophobicContact CB-CE1 4.41Å; F769-F786 HydrophobicContact CB-CZ 4.45Å |
| 770 | F | 89.8 | Confident | 79 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.6 | 173.5 | -57.3 | -88.5 | 0 | 0 | 0 | 109.4 | Y672 V699 I723 T724 A726 F729 E738 T768 Y772 | Y672-F770 AromaticContact CD1-CD1 3.86Å; Y672-F770 HydrophobicContact CD1-CD1 3.86Å; Y672-F770 HydrophobicContact CE1-CB 4.43Å; Y672-F770 AromaticContact CE1-CD1 3.58Å; Y672-F770 HydrophobicContact CE1-CD1 3.58Å; Y672-F770 HydrophobicContact CE1-CE1 4.34Å; Y672-F770 HydrophobicContact CE1-CG 4.41Å; Y672-F770 HydrophobicContact CG-CD1 4.42Å; Y672-F770 AromaticContact CZ-CD1 3.94Å; V699-F770 HydrophobicContact CB-CD1 4.37Å; V699-F770 HydrophobicContact CG2-CD1 4.01Å; V699-F770 HydrophobicContact CG2-CE1 3.83Å; V699-F770 HydrophobicContact CG2-CZ 4.48Å; I723-F770 VanDerWaalsContact CA-O 3.31Å; I723-F770 WeakPolarHBondContact CA-O 3.29Å; T724-F770 PolarHBondContact N-O 3.06Å; T724-F770 PolarHBondContact O-N 3.01Å; A726-F770 HydrophobicContact CB-CE2 4.09Å; F729-F770 HydrophobicContact CB-CZ 4.27Å; F729-F770 AromaticContact CD2-CE1 3.72Å; F729-F770 HydrophobicContact CD2-CE1 3.72Å; F729-F770 AromaticContact CD2-CZ 3.63Å; F729-F770 HydrophobicContact CD2-CZ 3.63Å; F729-F770 AromaticContact CE2-CE1 3.95Å; F729-F770 HydrophobicContact CE2-CE1 3.95Å; F729-F770 HydrophobicContact CE2-CZ 4.32Å; F729-F770 HydrophobicContact CG-CE1 4.44Å; F729-F770 HydrophobicContact CG-CZ 4.22Å; E738-F770 HydrophobicContact CG-CD2 4.5Å; T768-F770 HydrophobicContact CG2-CE1 4.23Å; T768-F770 HydrophobicContact CG2-CE2 4.03Å; T768-F770 HydrophobicContact CG2-CZ 3.8Å; F770-Y772 HydrophobicContact CB-CE2 3.77Å |
| 771 | V | 92.5 | Very high | 80.8 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 116.6 | -179.6 | -175 | 0 | 0 | 0 | 0 | 108.8 | N697 F698 L721 I723 V773 I784 F786 | N697-V771 CarbonylContact C-O 3.52Å; N697-V771 WeakPolarHBondContact CA-O 3.18Å; F698-V771 HydrophobicContact CB-CB 4.15Å; F698-V771 HydrophobicContact CD2-CB 4.24Å; F698-V771 HydrophobicContact CD2-CG1 4.23Å; F698-V771 PolarHBondContact N-O 2.95Å; F698-V771 PolarHBondContact O-N 2.04Å; L721-V771 HydrophobicContact CD1-CG1 3.55Å; I723-V771 HydrophobicContact CG1-CG1 4.13Å; I723-V771 HydrophobicContact CG1-CG2 4.22Å; I723-V771 HydrophobicContact CG2-CG2 4.34Å; V771-V773 HydrophobicContact CG1-CG2 4.19Å; V771-I784 HydrophobicContact CB-CD1 4.43Å; V771-I784 HydrophobicContact CG1-CD1 4.01Å; V771-I784 HydrophobicContact CG2-CD1 4.48Å; V771-F786 HydrophobicContact CG2-CE2 3.87Å; V771-F786 HydrophobicContact CG2-CZ 3.59Å |
| 772 | Y | 93.2 | Very high | 82.4 | Confident | 41 Ų | 41 | 56 Ų | 56 | 16% | 0.161 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 116.4 | 178.6 | -57 | -87.8 | 0 | 0 | 0 | 109.6 | T670 Y672 N697 L721 N722 T724 E738 F770 | T670-Y772 HydrophobicContact CG2-CE1 4.25Å; Y672-Y772 AromaticContact CE1-CE1 3.61Å; Y672-Y772 HydrophobicContact CE1-CE1 3.61Å; Y672-Y772 AromaticContact CE1-CZ 3.81Å; Y672-Y772 PolarHBondContact OH-OH 3.2Å; N697-Y772 HydrophobicContact CB-CD1 4.28Å; N697-Y772 WeakPolarHBondContact OD1-CD1 3.48Å; L721-Y772 WeakPolarHBondContact CA-O 3.4Å; N722-Y772 HydrophobicContact CB-CD2 4.44Å; N722-Y772 PolarHBondContact N-O 3.26Å; N722-Y772 PolarHBondContact O-N 3.22Å; T724-Y772 HydrophobicContact CG2-CE2 4.3Å; E738-Y772 PolarHBondContact OE1-OH 3.37Å; E738-Y772 VanDerWaalsContact OE1-OH 3.07Å; E738-Y772 PolarHBondContact OE2-OH 3.25Å; F770-Y772 HydrophobicContact CB-CE2 3.77Å |
| 773 | V | 94.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 115.5 | 176.2 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | A695 I696 F698 I713 F719 N720 L721 V771 F776 I782 | A695-V773 CarbonylContact C-O 2.88Å; A695-V773 VanDerWaalsContact CA-O 3.22Å; A695-V773 WeakPolarHBondContact CA-O 3.5Å; I696-V773 HydrophobicContact CG2-CB 3.9Å; I696-V773 HydrophobicContact CG2-CG1 4.26Å; I696-V773 PolarHBondContact N-O 3.42Å; I696-V773 WeakPolarHBondContact O-CB 2.96Å; I696-V773 PolarHBondContact O-N 3.03Å; I696-V773 VanDerWaalsContact O-O 3.13Å; F698-V773 HydrophobicContact CD2-CG2 4.25Å; F698-V773 HydrophobicContact CE2-CB 4.39Å; F698-V773 HydrophobicContact CE2-CG2 3.81Å; I713-V773 HydrophobicContact CD1-CG2 3.42Å; I713-V773 VanDerWaalsContact CD1-CG2 3.42Å; F719-V773 HydrophobicContact CB-CG1 3.94Å; F719-V773 HydrophobicContact CD2-CG1 3.65Å; F719-V773 HydrophobicContact CE2-CG1 4.37Å; F719-V773 HydrophobicContact CG-CG1 3.92Å; N720-V773 WeakPolarHBondContact O-CA 3.04Å; L721-V773 HydrophobicContact CD1-CG2 4.05Å; V771-V773 HydrophobicContact CG1-CG2 4.19Å; V773-F776 HydrophobicContact CG1-CD1 4.09Å; V773-F776 HydrophobicContact CG1-CE1 4.3Å; V773-I782 HydrophobicContact CG1-CD1 4.15Å |
| 774 | S | 93.6 | Very high | 86.5 | Confident | 46 Ų | 46 | 43.5 Ų | 43.5 | 32% | 0.322 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 169.4 | -171.4 | 62 | 0 | 0 | 0 | 0 | 112.9 | T694 N720 F776 | T694-S774 CarbonylContact O-C 3.56Å; N720-S774 PolarHBondContact N-O 3.49Å; N720-S774 PolarHBondContact O-N 2.77Å; S774-F776 VanDerWaalsContact C-N 3.31Å; S774-F776 PolarHBondContact O-N 3.29Å |
| 775 | N | 91.4 | Very high | 88.1 | Confident | 115 Ų | 115 | 42.5 Ų | 42.5 | 62% | 0.615 | 23% | 0.23 | S | C | * | . | S | Bend | trans | 58.7 | 37.5 | 175.4 | -163.1 | 27.8 | 0 | 0 | 0 | 114.1 | T694 N720 | T694-N775 PolarHBondContact O-N 3.4Å; N720-N775 HydrophobicContact CB-CB 4.45Å |
| 776 | F | 92.9 | Very high | 89.5 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | trans | -98.2 | 163 | 169.8 | 59.9 | -102.6 | 0 | 0 | 0 | 111.5 | L685 Y693 T694 A695 I696 F719 V773 S774 I780 I782 | L685-F776 HydrophobicContact CD1-CE2 3.85Å; L685-F776 HydrophobicContact CD1-CZ 3.98Å; Y693-F776 WeakPolarHBondContact O-CE2 3.43Å; T694-F776 VanDerWaalsContact C-CE1 3.46Å; T694-F776 VanDerWaalsContact C-CZ 3.45Å; T694-F776 WeakPolarHBondContact O-CD1 3.42Å; T694-F776 WeakPolarHBondContact O-CE1 3.4Å; T694-F776 PolarHBondContact O-N 3.04Å; A695-F776 VanDerWaalsContact CA-CE1 3.41Å; I696-F776 HydrophobicContact CB-CE1 4.49Å; I696-F776 HydrophobicContact CG2-CE1 3.96Å; I696-F776 HydrophobicContact CG2-CZ 4.34Å; F719-F776 HydrophobicContact CB-CB 4.29Å; V773-F776 HydrophobicContact CG1-CD1 4.09Å; V773-F776 HydrophobicContact CG1-CE1 4.3Å; S774-F776 VanDerWaalsContact C-N 3.31Å; S774-F776 PolarHBondContact O-N 3.29Å; F776-I780 HydrophobicContact CB-CD1 3.56Å; F776-I780 HydrophobicContact CD2-CD1 4.26Å; F776-I780 HydrophobicContact CD2-CG2 3.63Å; F776-I780 HydrophobicContact CE2-CG2 3.86Å; F776-I780 HydrophobicContact CG-CD1 3.95Å; F776-I780 HydrophobicContact CG-CG2 4.34Å; F776-I782 HydrophobicContact CD1-CD1 4.36Å; F776-I782 HydrophobicContact CE1-CD1 4.17Å | ||
| 777 | T | 89.8 | Confident | 90.3 | Very high | 92 Ų | 92 | 32.7 Ų | 32.7 | 56% | 0.564 | 17% | 0.173 | S | C | * | . | trans | -115.3 | 136.6 | 177.8 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | K717 | K717-T777 WeakPolarHBondContact CD-O 3.01Å; K717-T777 WeakPolarHBondContact CD-OG1 3.47Å; K717-T777 PolarHBondContact NZ-O 3.33Å; K717-T777 PolarHBondContact NZ-OG1 3.05Å; K717-T777 VanDerWaalsContact NZ-OG1 3.12Å | ||
| 778 | W | 88.5 | Confident | 90.3 | Very high | 71 Ų | 71 | 32.4 Ų | 32.4 | 27% | 0.269 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -65.2 | 145.8 | 172.1 | 176.6 | 93.2 | 0 | 0 | 0 | 112.1 | L685 Q687 R691 K717 | L685-W778 VanDerWaalsContact O-CD1 3.31Å; Q687-W778 VanDerWaalsContact O-CE2 3.27Å; Q687-W778 WeakPolarHBondContact O-CZ2 3.34Å; Q687-W778 PolarHBondContact O-NE1 3.4Å; R691-W778 HydrophobicContact CB-CD2 4.41Å; K717-W778 PolarHBondContact NZ-O 3.4Å |
| 779 | P | 91.9 | Very high | 89.4 | Confident | 61 Ų | 61 | 39.1 Ų | 39.1 | 40% | 0.396 | 20% | 0.202 | S | C | . | . | S | Bend | cis | -79.6 | 147.1 | -9.1 | 32.2 | -34.6 | 0 | 0 | 0 | 112.1 | L685 K717 | L685-P779 VanDerWaalsContact O-CA 3.28Å; L685-P779 WeakPolarHBondContact O-CA 3.3Å; K717-P779 WeakPolarHBondContact CD-O 3.45Å; K717-P779 WeakPolarHBondContact CE-O 3.1Å; K717-P779 PolarHBondContact NZ-O 3.26Å |
| 780 | I | 91.8 | Very high | 87.8 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 146.8 | 179.9 | -169.6 | 168.4 | 0 | 0 | 0 | 111.8 | L685 A715 K717 F776 I782 | L685-I780 HydrophobicContact CB-CG2 4.02Å; L685-I780 HydrophobicContact CD1-CG2 3.89Å; L685-I780 HydrophobicContact CG-CG2 4.48Å; L685-I780 PolarHBondContact N-O 2.77Å; L685-I780 PolarHBondContact O-N 3.27Å; A715-I780 HydrophobicContact CB-CD1 4Å; A715-I780 HydrophobicContact CB-CG1 4.32Å; K717-I780 HydrophobicContact CB-CD1 3.95Å; K717-I780 HydrophobicContact CB-CG1 4.22Å; F776-I780 HydrophobicContact CB-CD1 3.56Å; F776-I780 HydrophobicContact CD2-CD1 4.26Å; F776-I780 HydrophobicContact CD2-CG2 3.63Å; F776-I780 HydrophobicContact CE2-CG2 3.86Å; F776-I780 HydrophobicContact CG-CD1 3.95Å; F776-I780 HydrophobicContact CG-CG2 4.34Å; I780-I782 HydrophobicContact CD1-CD1 4.27Å; I780-I782 HydrophobicContact CD1-CG1 3.98Å; I780-I782 HydrophobicContact CG1-CG1 3.99Å; I780-I782 HydrophobicContact CG2-CD1 4.4Å; I780-I782 HydrophobicContact CG2-CG1 4.48Å |
| 781 | K | 91.6 | Very high | 86.1 | Confident | 121 Ų | 121 | 50 Ų | 50 | 53% | 0.526 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128 | 166.5 | -64.2 | -175.3 | 178.9 | -177.8 | 0 | 109.2 | F683 S684 A715 S716 | F683-K781 CarbonylContact O-C 3.58Å; F683-K781 VanDerWaalsContact O-CA 3.29Å; F683-K781 WeakPolarHBondContact O-CA 3.45Å; S684-K781 WeakPolarHBondContact OG-CE 3.47Å; A715-K781 CarbonylContact C-O 3.55Å; A715-K781 WeakPolarHBondContact CA-O 3.35Å; A715-K781 WeakPolarHBondContact CB-O 3.29Å; S716-K781 PolarHBondContact N-O 2.91Å; S716-K781 PolarHBondContact OG-N 2.78Å |
| 782 | I | 93.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 125.3 | -179.2 | -56.6 | 168.4 | 0 | 0 | 0 | 108.3 | T682 F683 I696 I713 N714 A715 V773 F776 I780 | T682-I782 CarbonylContact C-O 3.53Å; T682-I782 WeakPolarHBondContact CA-O 3.48Å; F683-I782 PolarHBondContact N-O 3.25Å; F683-I782 PolarHBondContact O-N 3.08Å; I696-I782 HydrophobicContact CG2-CD1 3.8Å; I713-I782 HydrophobicContact CD1-CG2 4.13Å; I713-I782 HydrophobicContact CG1-CG2 4.17Å; N714-I782 CarbonylContact O-C 3.43Å; A715-I782 HydrophobicContact CB-CB 4.46Å; A715-I782 HydrophobicContact CB-CG1 3.95Å; V773-I782 HydrophobicContact CG1-CD1 4.15Å; F776-I782 HydrophobicContact CD1-CD1 4.36Å; F776-I782 HydrophobicContact CE1-CD1 4.17Å; I780-I782 HydrophobicContact CD1-CD1 4.27Å; I780-I782 HydrophobicContact CD1-CG1 3.98Å; I780-I782 HydrophobicContact CG1-CG1 3.99Å; I780-I782 HydrophobicContact CG2-CD1 4.4Å; I780-I782 HydrophobicContact CG2-CG1 4.48Å |
| 783 | Q | 93.4 | Very high | 82.3 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 30% | 0.304 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.3 | 174.7 | -58.7 | -169.6 | -56.2 | 0 | 0 | 108.3 | F681 T682 I713 N714 | F681-Q783 CarbonylContact O-C 3.55Å; F681-Q783 VanDerWaalsContact O-CA 3.26Å; F681-Q783 WeakPolarHBondContact O-CA 3.4Å; T682-Q783 HydrophobicContact CG2-CG 3.97Å; T682-Q783 PolarHBondContact OG1-NE2 2.99Å; I713-Q783 CarbonylContact C-O 3.29Å; I713-Q783 VanDerWaalsContact CA-O 3.24Å; I713-Q783 WeakPolarHBondContact CA-O 3.35Å; I713-Q783 WeakPolarHBondContact CG1-O 3.41Å; N714-Q783 PolarHBondContact N-O 3.19Å; N714-Q783 PolarHBondContact O-N 3.41Å |
| 784 | I | 93.9 | Very high | 80.5 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 138.8 | 179.3 | -174.1 | 165.8 | 0 | 0 | 0 | 109.9 | L675 F681 F683 F698 F712 I713 V771 F786 | L675-I784 HydrophobicContact CD1-CD1 3.74Å; L675-I784 HydrophobicContact CD1-CG1 3.97Å; L675-I784 HydrophobicContact CD1-CG2 4.09Å; L675-I784 HydrophobicContact CD2-CG2 3.93Å; F681-I784 HydrophobicContact CB-CG2 4.25Å; F681-I784 PolarHBondContact N-O 3.38Å; F681-I784 PolarHBondContact O-N 2.95Å; F683-I784 HydrophobicContact CD2-CG2 4.43Å; F683-I784 HydrophobicContact CE2-CG2 4Å; F698-I784 HydrophobicContact CB-CD1 4.49Å; F698-I784 HydrophobicContact CD1-CG2 4.46Å; F698-I784 HydrophobicContact CD2-CD1 3.74Å; F698-I784 HydrophobicContact CE1-CG2 4.27Å; F698-I784 HydrophobicContact CE2-CD1 4.16Å; F698-I784 HydrophobicContact CG-CD1 4.12Å; F698-I784 HydrophobicContact CZ-CG2 4.29Å; F712-I784 CarbonylContact O-C 3.54Å; F712-I784 VanDerWaalsContact O-CA 3.29Å; F712-I784 WeakPolarHBondContact O-CA 3.41Å; I713-I784 HydrophobicContact CB-CG1 4.32Å; I713-I784 HydrophobicContact CD1-CD1 4.24Å; I713-I784 HydrophobicContact CG1-CB 4.3Å; V771-I784 HydrophobicContact CB-CD1 4.43Å; V771-I784 HydrophobicContact CG1-CD1 4.01Å; V771-I784 HydrophobicContact CG2-CD1 4.48Å; I784-F786 HydrophobicContact CD1-CE2 4.31Å |
| 785 | A | 91.3 | Very high | 78.9 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 14% | 0.14 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 142.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q680 F712 | Q680-A785 HydrophobicContact CB-CB 4.04Å; Q680-A785 HydrophobicContact CG-CB 4.21Å; F712-A785 PolarHBondContact N-O 3.3Å; F712-A785 PolarHBondContact O-N 3.48Å |
| 786 | F | 89.3 | Confident | 77.6 | Confident | 1 Ų | 1 | 72 Ų | 72 | 0% | 0.004 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.5 | 163.4 | -79.5 | -94.7 | 0 | 0 | 0 | 107.1 | L675 I677 D678 A700 L709 D710 V711 F769 V771 I784 | L675-F786 HydrophobicContact CD1-CD2 3.81Å; L675-F786 HydrophobicContact CD1-CE2 3.78Å; I677-F786 HydrophobicContact CD1-CB 3.81Å; D678-F786 WeakPolarHBondContact CA-O 3.29Å; D678-F786 PolarHBondContact N-O 3.45Å; A700-F786 HydrophobicContact CB-CD1 4.26Å; A700-F786 HydrophobicContact CB-CD2 3.72Å; A700-F786 HydrophobicContact CB-CE1 4.25Å; A700-F786 HydrophobicContact CB-CE2 3.75Å; A700-F786 HydrophobicContact CB-CG 3.98Å; A700-F786 HydrophobicContact CB-CZ 4.02Å; L709-F786 HydrophobicContact CD1-CB 4.28Å; L709-F786 HydrophobicContact CD1-CD1 3.94Å; L709-F786 HydrophobicContact CD2-CD1 3.61Å; L709-F786 HydrophobicContact CD2-CE1 3.83Å; L709-F786 HydrophobicContact CG-CD1 3.77Å; L709-F786 HydrophobicContact CG-CE1 4.37Å; D710-F786 CarbonylContact O-C 3.51Å; D710-F786 WeakPolarHBondContact O-CA 3.45Å; V711-F786 HydrophobicContact CB-CD1 4.46Å; V711-F786 HydrophobicContact CB-CE1 4.22Å; V711-F786 HydrophobicContact CG1-CE1 4.03Å; V711-F786 HydrophobicContact CG1-CE2 4.42Å; V711-F786 HydrophobicContact CG1-CZ 3.97Å; V711-F786 HydrophobicContact CG2-CD1 3.53Å; V711-F786 HydrophobicContact CG2-CE1 3.23Å; V711-F786 HydrophobicContact CG2-CZ 4.02Å; F769-F786 HydrophobicContact CB-CE1 4.41Å; F769-F786 HydrophobicContact CB-CZ 4.45Å; V771-F786 HydrophobicContact CG2-CE2 3.87Å; V771-F786 HydrophobicContact CG2-CZ 3.59Å; I784-F786 HydrophobicContact CD1-CE2 4.31Å |
| 787 | S | 84 | Confident | 76.1 | Confident | 21 Ų | 21 | 78.3 Ų | 78.3 | 15% | 0.147 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.6 | 179 | -173.1 | 0 | 0 | 0 | 0 | 112 | D678 D710 H789 | D678-S787 WeakPolarHBondContact OD1-CA 3.22Å; D678-S787 WeakPolarHBondContact OD1-CB 3.18Å; D678-S787 PolarHBondContact OD1-OG 3.35Å; D710-S787 PolarHBondContact N-O 3.47Å; D710-S787 PolarHBondContact O-N 2.92Å; S787-H789 PolarHBondContact OG-N 2.93Å; S787-H789 PolarHBondContact OG-ND1 2.9Å |
| 788 | Q | 78.7 | Confident | 75.2 | Confident | 13 Ų | 13 | 79.6 Ų | 79.6 | 6% | 0.061 | 40% | 0.401 | C | S | . | . | trans | -117.8 | 68.6 | 166.6 | -67.1 | -174.6 | -66.8 | 0 | 0 | 107.1 | I677 D678 E704 L709 S790 | I677-Q788 HydrophobicContact CG2-CB 4.25Å; I677-Q788 HydrophobicContact CG2-CG 3.89Å; D678-Q788 PolarHBondContact OD1-N 3.09Å; E704-Q788 PolarHBondContact O-NE2 2.87Å; E704-Q788 VanDerWaalsContact O-NE2 3.08Å; L709-Q788 HydrophobicContact CD1-CG 3.94Å; Q788-S790 PolarHBondContact O-N 2.88Å; Q788-S790 VanDerWaalsContact O-N 3.13Å | ||
| 789 | H | 63.8 | Low | 74.6 | Confident | 146 Ų | 146 | 80.9 Ų | 80.9 | 68% | 0.676 | 41% | 0.409 | S | S | * | . | trans | -56.7 | 120.7 | -175.2 | -112.6 | 71.4 | 0 | 0 | 0 | 111.9 | S787 N791 | S787-H789 PolarHBondContact OG-N 2.93Å; S787-H789 PolarHBondContact OG-ND1 2.9Å; H789-N791 PolarHBondContact O-N 2.83Å | ||
| 790 | S | 54.6 | Low | 73.9 | Confident | 74 Ų | 74 | 82.4 Ų | 82.4 | 52% | 0.517 | 42% | 0.417 | S | S | . | . | trans | -69.3 | 115.6 | 163.3 | 177.4 | 0 | 0 | 0 | 0 | 108.5 | Q788 F792 | Q788-S790 PolarHBondContact O-N 2.88Å; Q788-S790 VanDerWaalsContact O-N 3.13Å; S790-F792 PolarHBondContact O-N 3.36Å | ||
| 791 | N | 53.6 | Low | 73.5 | Confident | 160 Ų | 160 | 85.8 Ų | 85.8 | 86% | 0.856 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -73.3 | 20.1 | 178.5 | -120.1 | -21 | 0 | 0 | 0 | 113.7 | H789 | H789-N791 PolarHBondContact O-N 2.83Š|
| 792 | F | 52.8 | Low | 73.1 | Confident | 178 Ų | 178 | 85.5 Ų | 85.5 | 78% | 0.781 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -124.6 | 102.6 | 174 | -84.2 | -87.6 | 0 | 0 | 0 | 109.9 | S790 D794 | S790-F792 PolarHBondContact O-N 3.36Å; F792-D794 PolarHBondContact O-N 2.77Å; F792-D794 VanDerWaalsContact O-N 3.1Å |
| 793 | M | 53.8 | Low | 72.6 | Confident | 169 Ų | 169 | 91 Ų | 91 | 83% | 0.833 | 46% | 0.461 | S | S | * | . | trans | -59.1 | 109.9 | 168 | -75.9 | -75.4 | -72 | 0 | 0 | 109.4 | L795 | M793-L795 PolarHBondContact O-N 2.92Š| ||
| 794 | D | 55.8 | Low | 72.1 | Confident | 97 Ų | 97 | 90.6 Ų | 90.6 | 52% | 0.519 | 47% | 0.465 | S | S | . | . | trans | -70.3 | 102.1 | 174.9 | -167.3 | -11.8 | 0 | 0 | 0 | 109.7 | F792 V796 Q797 F798 | F792-D794 PolarHBondContact O-N 2.77Å; F792-D794 VanDerWaalsContact O-N 3.1Å; D794-V796 PolarHBondContact O-N 3.3Å; D794-V796 VanDerWaalsContact O-N 3.07Å; D794-V796 WeakPolarHBondContact OD1-CB 3.37Å; D794-V796 PolarHBondContact OD1-N 2.85Å; D794-Q797 HydrophobicContact CB-CB 4.38Å; D794-Q797 PolarHBondContact O-N 3.08Å; D794-F798 PolarHBondContact O-N 2.83Å | ||
| 795 | L | 60.9 | Low | 71.9 | Confident | 123 Ų | 123 | 94 Ų | 94 | 64% | 0.644 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -54 | -28.8 | -178.2 | -147.9 | 83.9 | 0 | 0 | 0 | 111.8 | M793 F799 | M793-L795 PolarHBondContact O-N 2.92Å; L795-F799 HydrophobicContact CD2-CE2 4.13Å; L795-F799 HydrophobicContact CG-CE2 4.07Å; L795-F799 WeakPolarHBondContact O-CD2 3.39Å; L795-F799 PolarHBondContact O-N 2.66Å |
| 796 | V | 64.3 | Low | 71.7 | Confident | 98 Ų | 98 | 98.4 Ų | 98.4 | 59% | 0.594 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.7 | -42.8 | 179.6 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | D794 F798 F799 V800 | D794-V796 PolarHBondContact O-N 3.3Å; D794-V796 VanDerWaalsContact O-N 3.07Å; D794-V796 WeakPolarHBondContact OD1-CB 3.37Å; D794-V796 PolarHBondContact OD1-N 2.85Å; V796-F798 VanDerWaalsContact C-N 3.31Å; V796-F798 PolarHBondContact O-N 3.22Å; V796-F799 PolarHBondContact O-N 3.2Å; V796-V800 HydrophobicContact CG1-CG2 4.42Å; V796-V800 WeakPolarHBondContact O-CG2 3.35Å; V796-V800 PolarHBondContact O-N 2.77Å |
| 797 | Q | 60.7 | Low | 71.5 | Confident | 134 Ų | 134 | 103.7 Ų | 103.7 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.9 | -33 | -179.9 | -167.4 | 150.4 | -8.5 | 0 | 0 | 111.5 | D794 T801 | D794-Q797 HydrophobicContact CB-CB 4.38Å; D794-Q797 PolarHBondContact O-N 3.08Å; Q797-T801 WeakPolarHBondContact O-CB 3.35Å; Q797-T801 PolarHBondContact O-N 2.63Å; Q797-T801 PolarHBondContact O-OG1 3.18Å |
| 798 | F | 71.2 | Confident | 71.5 | Confident | 119 Ų | 119 | 106 Ų | 106 | 52% | 0.522 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 172.2 | 176.2 | -99.9 | 0 | 0 | 0 | 112.3 | D794 V796 T801 F802 | D794-F798 PolarHBondContact O-N 2.83Å; V796-F798 VanDerWaalsContact C-N 3.31Å; V796-F798 PolarHBondContact O-N 3.22Å; F798-T801 PolarHBondContact O-N 2.93Å; F798-F802 VanDerWaalsContact O-CB 3.29Å; F798-F802 WeakPolarHBondContact O-CB 3.28Å; F798-F802 PolarHBondContact O-N 3.13Å |
| 799 | F | 75.1 | Confident | 71.9 | Confident | 99 Ų | 99 | 111.2 Ų | 111.2 | 43% | 0.434 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68 | -40.8 | -179.3 | -75.3 | -66.8 | 0 | 0 | 0 | 112.5 | L795 V796 T801 F802 F803 | L795-F799 HydrophobicContact CD2-CE2 4.13Å; L795-F799 HydrophobicContact CG-CE2 4.07Å; L795-F799 WeakPolarHBondContact O-CD2 3.39Å; L795-F799 PolarHBondContact O-N 2.66Å; V796-F799 PolarHBondContact O-N 3.2Å; F799-T801 VanDerWaalsContact C-N 3.34Å; F799-T801 PolarHBondContact O-N 3.35Å; F799-F802 PolarHBondContact O-N 2.83Å; F799-F803 HydrophobicContact CB-CD2 4.29Å; F799-F803 HydrophobicContact CB-CE2 4.2Å; F799-F803 HydrophobicContact CD1-CE2 4.02Å; F799-F803 WeakPolarHBondContact O-CD2 3.29Å; F799-F803 PolarHBondContact O-N 3.14Å |
| 800 | V | 79 | Confident | 73.1 | Confident | 93 Ų | 93 | 108.7 Ų | 108.7 | 56% | 0.564 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.5 | -45.4 | 176.4 | 172.2 | 0 | 0 | 0 | 0 | 111 | V796 S804 | V796-V800 HydrophobicContact CG1-CG2 4.42Å; V796-V800 WeakPolarHBondContact O-CG2 3.35Å; V796-V800 PolarHBondContact O-N 2.77Å; V800-S804 VanDerWaalsContact O-CB 3.28Å; V800-S804 WeakPolarHBondContact O-CB 3.49Å; V800-S804 PolarHBondContact O-N 3.15Å; V800-S804 PolarHBondContact O-OG 3.15Å |
| 801 | T | 82.1 | Confident | 74.6 | Confident | 73 Ų | 73 | 110.7 Ų | 110.7 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.4 | -42.1 | -179.8 | -41 | 0 | 0 | 0 | 0 | 110.8 | Q797 F798 F799 S804 C805 | Q797-T801 WeakPolarHBondContact O-CB 3.35Å; Q797-T801 PolarHBondContact O-N 2.63Å; Q797-T801 PolarHBondContact O-OG1 3.18Å; F798-T801 PolarHBondContact O-N 2.93Å; F799-T801 VanDerWaalsContact C-N 3.34Å; F799-T801 PolarHBondContact O-N 3.35Å; T801-S804 PolarHBondContact O-N 2.88Å; T801-S804 PolarHBondContact O-OG 2.79Å; T801-C805 WeakPolarHBondContact O-CB 3.29Å; T801-C805 PolarHBondContact O-N 3.33Å |
| 802 | F | 82.9 | Confident | 76.3 | Confident | 116 Ų | 116 | 107 Ų | 107 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.9 | -49.2 | 177.1 | -178.5 | -96.6 | 0 | 0 | 0 | 112.5 | F798 F799 C805 F806 | F798-F802 VanDerWaalsContact O-CB 3.29Å; F798-F802 WeakPolarHBondContact O-CB 3.28Å; F798-F802 PolarHBondContact O-N 3.13Å; F799-F802 PolarHBondContact O-N 2.83Å; F802-C805 PolarHBondContact O-N 3.41Å; F802-F806 WeakPolarHBondContact O-CB 3.44Å; F802-F806 PolarHBondContact O-N 2.99Å |
| 803 | F | 83.6 | Confident | 78 | Confident | 114 Ų | 114 | 101.3 Ų | 101.3 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.1 | -36 | 178.9 | -72.6 | -61.8 | 0 | 0 | 0 | 112.4 | F799 F806 L807 | F799-F803 HydrophobicContact CB-CD2 4.29Å; F799-F803 HydrophobicContact CB-CE2 4.2Å; F799-F803 HydrophobicContact CD1-CE2 4.02Å; F799-F803 WeakPolarHBondContact O-CD2 3.29Å; F799-F803 PolarHBondContact O-N 3.14Å; F803-F806 PolarHBondContact O-N 2.79Å; F803-L807 WeakPolarHBondContact O-CB 3.26Å; F803-L807 WeakPolarHBondContact O-CG 3.17Å; F803-L807 PolarHBondContact O-N 3.5Å |
| 804 | S | 83.8 | Confident | 79.6 | Confident | 57 Ų | 57 | 95.6 Ų | 95.6 | 40% | 0.399 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 175.8 | 76.1 | 0 | 0 | 0 | 0 | 112.5 | V800 T801 S808 | V800-S804 VanDerWaalsContact O-CB 3.28Å; V800-S804 WeakPolarHBondContact O-CB 3.49Å; V800-S804 PolarHBondContact O-N 3.15Å; V800-S804 PolarHBondContact O-OG 3.15Å; T801-S804 PolarHBondContact O-N 2.88Å; T801-S804 PolarHBondContact O-OG 2.79Å; S804-S808 WeakPolarHBondContact O-CB 3.46Å; S804-S808 PolarHBondContact O-N 3.08Å; S804-S808 PolarHBondContact O-OG 2.67Å |
| 805 | C | 87.9 | Confident | 81 | Confident | 72 Ų | 72 | 94.3 Ų | 94.3 | 49% | 0.486 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 175.3 | -96.9 | 0 | 0 | 0 | 0 | 111.6 | T801 F802 S808 L809 | T801-C805 WeakPolarHBondContact O-CB 3.29Å; T801-C805 PolarHBondContact O-N 3.33Å; F802-C805 PolarHBondContact O-N 3.41Å; C805-S808 PolarHBondContact O-N 2.72Å; C805-L809 WeakPolarHBondContact O-CG 3.32Å; C805-L809 PolarHBondContact O-N 3.02Å |
| 806 | F | 87.4 | Confident | 82.3 | Confident | 110 Ų | 110 | 92.5 Ų | 92.5 | 48% | 0.482 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 178.4 | -178.6 | -103.7 | 0 | 0 | 0 | 112.1 | F802 F803 L809 L810 | F802-F806 WeakPolarHBondContact O-CB 3.44Å; F802-F806 PolarHBondContact O-N 2.99Å; F803-F806 PolarHBondContact O-N 2.79Å; F806-L809 PolarHBondContact O-N 3.12Å; F806-L810 HydrophobicContact CD1-CD1 4.02Å; F806-L810 HydrophobicContact CE1-CD1 3.5Å; F806-L810 VanDerWaalsContact CE1-CD1 3.5Å; F806-L810 HydrophobicContact CE1-CG 4.39Å; F806-L810 HydrophobicContact CZ-CD1 3.85Å; F806-L810 HydrophobicContact CZ-CG 4.42Å; F806-L810 PolarHBondContact O-N 3.35Å; F806-L810 VanDerWaalsContact O-N 3.09Å |
| 807 | L | 85 | Confident | 83.4 | Confident | 112 Ų | 112 | 95.2 Ų | 95.2 | 59% | 0.586 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.4 | -37.9 | 176.4 | -69.8 | 172.6 | 0 | 0 | 0 | 112.1 | F803 L810 L811 | F803-L807 WeakPolarHBondContact O-CB 3.26Å; F803-L807 WeakPolarHBondContact O-CG 3.17Å; F803-L807 PolarHBondContact O-N 3.5Å; L807-L810 PolarHBondContact O-N 3.43Å; L807-L811 WeakPolarHBondContact O-CB 3.47Å; L807-L811 PolarHBondContact O-N 3.34Å |
| 808 | S | 84.9 | Confident | 84.6 | Confident | 70 Ų | 70 | 94.8 Ų | 94.8 | 49% | 0.49 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 175.8 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | S804 C805 L811 V812 | S804-S808 WeakPolarHBondContact O-CB 3.46Å; S804-S808 PolarHBondContact O-N 3.08Å; S804-S808 PolarHBondContact O-OG 2.67Å; C805-S808 PolarHBondContact O-N 2.72Å; S808-L811 PolarHBondContact O-N 3.05Å; S808-V812 VanDerWaalsContact O-CG2 3.31Å; S808-V812 WeakPolarHBondContact O-CG2 3.24Å; S808-V812 PolarHBondContact O-N 2.03Å |
| 809 | L | 87.7 | Confident | 85.3 | Confident | 121 Ų | 121 | 94.1 Ų | 94.1 | 63% | 0.634 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.8 | -38.8 | 176.5 | -73.5 | 171.3 | 0 | 0 | 0 | 112.4 | C805 F806 L811 V812 A813 | C805-L809 WeakPolarHBondContact O-CG 3.32Å; C805-L809 PolarHBondContact O-N 3.02Å; F806-L809 PolarHBondContact O-N 3.12Å; L809-L811 VanDerWaalsContact C-N 3.35Å; L809-V812 PolarHBondContact O-N 2.96Å; L809-A813 WeakPolarHBondContact O-CB 3.15Å; L809-A813 PolarHBondContact O-N 3.32Å |
| 810 | L | 88.2 | Confident | 85.9 | Confident | 93 Ų | 93 | 94.4 Ų | 94.4 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 174.1 | -74.9 | 175.8 | 0 | 0 | 0 | 112 | F806 L807 A813 A814 | F806-L810 HydrophobicContact CD1-CD1 4.02Å; F806-L810 HydrophobicContact CE1-CD1 3.5Å; F806-L810 VanDerWaalsContact CE1-CD1 3.5Å; F806-L810 HydrophobicContact CE1-CG 4.39Å; F806-L810 HydrophobicContact CZ-CD1 3.85Å; F806-L810 HydrophobicContact CZ-CG 4.42Å; F806-L810 PolarHBondContact O-N 3.35Å; F806-L810 VanDerWaalsContact O-N 3.09Å; L807-L810 PolarHBondContact O-N 3.43Å; L810-A813 PolarHBondContact O-N 3.02Å; L810-A814 WeakPolarHBondContact O-CB 2.89Å; L810-A814 PolarHBondContact O-N 3.34Å |
| 811 | L | 86.6 | Confident | 86 | Confident | 116 Ų | 116 | 94.2 Ų | 94.2 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.5 | -42.8 | 177.4 | -164 | 142.6 | 0 | 0 | 0 | 111.3 | L807 S808 L809 A813 A814 V815 | L807-L811 WeakPolarHBondContact O-CB 3.47Å; L807-L811 PolarHBondContact O-N 3.34Å; S808-L811 PolarHBondContact O-N 3.05Å; L809-L811 VanDerWaalsContact C-N 3.35Å; L811-A813 VanDerWaalsContact C-N 3.34Å; L811-A813 PolarHBondContact O-N 2.83Å; L811-A814 PolarHBondContact O-N 2.87Å; L811-V815 HydrophobicContact CD2-CG2 4.11Å; L811-V815 VanDerWaalsContact O-CG2 3.3Å; L811-V815 WeakPolarHBondContact O-CG2 2.99Å; L811-V815 PolarHBondContact O-N 3.27Å |
| 812 | V | 89.1 | Confident | 85.8 | Confident | 84 Ų | 84 | 94.5 Ų | 94.5 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 172.6 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | S808 L809 A814 V815 V816 | S808-V812 VanDerWaalsContact O-CG2 3.31Å; S808-V812 WeakPolarHBondContact O-CG2 3.24Å; S808-V812 PolarHBondContact O-N 2.03Å; L809-V812 PolarHBondContact O-N 2.96Å; V812-A814 VanDerWaalsContact C-N 3.35Å; V812-A814 PolarHBondContact O-N 3.1Å; V812-V815 PolarHBondContact O-N 3Å; V812-V816 HydrophobicContact CG1-CG2 4.21Å; V812-V816 WeakPolarHBondContact O-CB 3.18Å; V812-V816 VanDerWaalsContact O-CG2 3.25Å; V812-V816 WeakPolarHBondContact O-CG2 3.37Å; V812-V816 PolarHBondContact O-N 3.28Å |
| 813 | A | 88.7 | Confident | 85.8 | Confident | 57 Ų | 57 | 92.5 Ų | 92.5 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L809 L810 L811 W817 | L809-A813 WeakPolarHBondContact O-CB 3.15Å; L809-A813 PolarHBondContact O-N 3.32Å; L810-A813 PolarHBondContact O-N 3.02Å; L811-A813 VanDerWaalsContact C-N 3.34Å; L811-A813 PolarHBondContact O-N 2.83Å; A813-W817 VanDerWaalsContact O-CB 3.26Å; A813-W817 WeakPolarHBondContact O-CB 3.4Å; A813-W817 PolarHBondContact O-N 3.3Å |
| 814 | A | 86.5 | Confident | 85.6 | Confident | 49 Ų | 49 | 94.6 Ų | 94.6 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L810 L811 V812 W817 K818 | L810-A814 WeakPolarHBondContact O-CB 2.89Å; L810-A814 PolarHBondContact O-N 3.34Å; L811-A814 PolarHBondContact O-N 2.87Å; V812-A814 VanDerWaalsContact C-N 3.35Å; V812-A814 PolarHBondContact O-N 3.1Å; A814-W817 PolarHBondContact O-N 3.45Å; A814-K818 WeakPolarHBondContact O-CB 3.06Å; A814-K818 WeakPolarHBondContact O-CG 3.15Å; A814-K818 PolarHBondContact O-N 2.9Å |
| 815 | V | 85.4 | Confident | 85.1 | Confident | 71 Ų | 71 | 93.9 Ų | 93.9 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -47.1 | 175.1 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | L811 V812 W817 K818 I819 | L811-V815 HydrophobicContact CD2-CG2 4.11Å; L811-V815 VanDerWaalsContact O-CG2 3.3Å; L811-V815 WeakPolarHBondContact O-CG2 2.99Å; L811-V815 PolarHBondContact O-N 3.27Å; V812-V815 PolarHBondContact O-N 3Å; V815-W817 VanDerWaalsContact C-N 3.28Å; V815-W817 PolarHBondContact O-N 2.98Å; V815-K818 CarbonylContact O-C 3.56Å; V815-K818 PolarHBondContact O-N 3.14Å; V815-K818 VanDerWaalsContact O-N 3.17Å; V815-I819 HydrophobicContact CG1-CD1 3.73Å; V815-I819 HydrophobicContact CG1-CG1 4.33Å; V815-I819 WeakPolarHBondContact O-CB 3.5Å; V815-I819 VanDerWaalsContact O-CG1 3.27Å; V815-I819 WeakPolarHBondContact O-CG1 3.03Å; V815-I819 PolarHBondContact O-N 3.07Å |
| 816 | V | 88.3 | Confident | 84.5 | Confident | 85 Ų | 85 | 93.5 Ų | 93.5 | 52% | 0.515 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 175.6 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | V812 I819 K820 | V812-V816 HydrophobicContact CG1-CG2 4.21Å; V812-V816 WeakPolarHBondContact O-CB 3.18Å; V812-V816 VanDerWaalsContact O-CG2 3.25Å; V812-V816 WeakPolarHBondContact O-CG2 3.37Å; V812-V816 PolarHBondContact O-N 3.28Å; V816-I819 PolarHBondContact O-N 3.06Å; V816-K820 WeakPolarHBondContact O-CB 2.92Å; V816-K820 PolarHBondContact O-N 2.84Å |
| 817 | W | 87.1 | Confident | 84.1 | Confident | 155 Ų | 155 | 96.7 Ų | 96.7 | 59% | 0.587 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.8 | -42.6 | 174.2 | 179.6 | 62.6 | 0 | 0 | 0 | 112.1 | A813 A814 V815 K820 Q821 | A813-W817 VanDerWaalsContact O-CB 3.26Å; A813-W817 WeakPolarHBondContact O-CB 3.4Å; A813-W817 PolarHBondContact O-N 3.3Å; A814-W817 PolarHBondContact O-N 3.45Å; V815-W817 VanDerWaalsContact C-N 3.28Å; V815-W817 PolarHBondContact O-N 2.98Å; W817-K820 PolarHBondContact O-N 3.02Å; W817-Q821 WeakPolarHBondContact O-CB 3.26Å; W817-Q821 PolarHBondContact O-N 2.84Å |
| 818 | K | 87.1 | Confident | 83.5 | Confident | 124 Ų | 124 | 100.5 Ų | 100.5 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 174.1 | -80.3 | -69.8 | -173.3 | -174.9 | 0 | 112.6 | A814 V815 Q821 S822 | A814-K818 WeakPolarHBondContact O-CB 3.06Å; A814-K818 WeakPolarHBondContact O-CG 3.15Å; A814-K818 PolarHBondContact O-N 2.9Å; V815-K818 CarbonylContact O-C 3.56Å; V815-K818 PolarHBondContact O-N 3.14Å; V815-K818 VanDerWaalsContact O-N 3.17Å; K818-Q821 PolarHBondContact O-N 2.79Å; K818-S822 WeakPolarHBondContact O-CB 3.45Å; K818-S822 PolarHBondContact O-N 3.47Å |
| 819 | I | 85.2 | Confident | 83.1 | Confident | 106 Ų | 106 | 105.7 Ų | 105.7 | 54% | 0.544 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 173.3 | -69.4 | 167.8 | 0 | 0 | 0 | 109.7 | V815 V816 Q821 S822 C823 | V815-I819 HydrophobicContact CG1-CD1 3.73Å; V815-I819 HydrophobicContact CG1-CG1 4.33Å; V815-I819 WeakPolarHBondContact O-CB 3.5Å; V815-I819 VanDerWaalsContact O-CG1 3.27Å; V815-I819 WeakPolarHBondContact O-CG1 3.03Å; V815-I819 PolarHBondContact O-N 3.07Å; V816-I819 PolarHBondContact O-N 3.06Å; I819-Q821 VanDerWaalsContact C-N 3.34Å; I819-Q821 PolarHBondContact O-N 3Å; I819-S822 PolarHBondContact O-N 3.07Å; I819-C823 WeakPolarHBondContact O-CB 3.5Å; I819-C823 PolarHBondContact O-N 2.97Å |
| 820 | K | 88.4 | Confident | 82.6 | Confident | 104 Ų | 104 | 104.8 Ų | 104.8 | 45% | 0.452 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 175.3 | -178.8 | 174.6 | 173.6 | 179.4 | 0 | 111.5 | V816 W817 W824 | V816-K820 WeakPolarHBondContact O-CB 2.92Å; V816-K820 PolarHBondContact O-N 2.84Å; W817-K820 PolarHBondContact O-N 3.02Å; K820-W824 HydrophobicContact CD-CH2 4.28Å; K820-W824 HydrophobicContact CD-CZ2 4.19Å; K820-W824 HydrophobicContact CG-CD2 3.98Å; K820-W824 HydrophobicContact CG-CE3 4.18Å; K820-W824 HydrophobicContact CG-CH2 4.39Å; K820-W824 HydrophobicContact CG-CZ2 4.15Å; K820-W824 HydrophobicContact CG-CZ3 4.36Å; K820-W824 VanDerWaalsContact O-CB 3.25Å; K820-W824 WeakPolarHBondContact O-CB 2.99Å; K820-W824 PolarHBondContact O-N 2.97Å |
| 821 | Q | 81.2 | Confident | 82.1 | Confident | 89 Ų | 89 | 106.1 Ų | 106.1 | 42% | 0.416 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 175.7 | -168.9 | 178.7 | 18.2 | 0 | 0 | 111.7 | W817 K818 I819 A825 | W817-Q821 WeakPolarHBondContact O-CB 3.26Å; W817-Q821 PolarHBondContact O-N 2.84Å; K818-Q821 PolarHBondContact O-N 2.79Å; I819-Q821 VanDerWaalsContact C-N 3.34Å; I819-Q821 PolarHBondContact O-N 3Å; Q821-A825 WeakPolarHBondContact O-CB 3.4Å; Q821-A825 PolarHBondContact O-N 2.85Å |
| 822 | S | 77.3 | Confident | 81.3 | Confident | 80 Ų | 80 | 105 Ų | 105 | 56% | 0.559 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.1 | -44.3 | 177.6 | -171.5 | 0 | 0 | 0 | 0 | 112 | K818 I819 W824 A825 S826 | K818-S822 WeakPolarHBondContact O-CB 3.45Å; K818-S822 PolarHBondContact O-N 3.47Å; I819-S822 PolarHBondContact O-N 3.07Å; S822-W824 PolarHBondContact O-N 2.89Å; S822-A825 PolarHBondContact O-N 3.01Å; S822-A825 VanDerWaalsContact O-N 3.16Å; S822-S826 WeakPolarHBondContact O-CB 3.16Å; S822-S826 PolarHBondContact O-N 2.83Å |
| 823 | C | 82.8 | Confident | 80.5 | Confident | 74 Ų | 74 | 105.9 Ų | 105.9 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 177 | -163.7 | 0 | 0 | 0 | 0 | 111.1 | I819 S826 R827 | I819-C823 WeakPolarHBondContact O-CB 3.5Å; I819-C823 PolarHBondContact O-N 2.97Å; C823-S826 PolarHBondContact O-N 2.73Å; C823-R827 VanDerWaalsContact O-CB 3.25Å; C823-R827 WeakPolarHBondContact O-CB 3.38Å; C823-R827 PolarHBondContact O-N 3.05Å |
| 824 | W | 78.8 | Confident | 79.8 | Confident | 157 Ų | 157 | 111.3 Ų | 111.3 | 60% | 0.595 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 170.7 | -77.5 | -16.8 | 0 | 0 | 0 | 112.8 | K820 S822 R828 | K820-W824 HydrophobicContact CD-CH2 4.28Å; K820-W824 HydrophobicContact CD-CZ2 4.19Å; K820-W824 HydrophobicContact CG-CD2 3.98Å; K820-W824 HydrophobicContact CG-CE3 4.18Å; K820-W824 HydrophobicContact CG-CH2 4.39Å; K820-W824 HydrophobicContact CG-CZ2 4.15Å; K820-W824 HydrophobicContact CG-CZ3 4.36Å; K820-W824 VanDerWaalsContact O-CB 3.25Å; K820-W824 WeakPolarHBondContact O-CB 2.99Å; K820-W824 PolarHBondContact O-N 2.97Å; S822-W824 PolarHBondContact O-N 2.89Å; W824-R828 WeakPolarHBondContact O-CB 3.39Å; W824-R828 PolarHBondContact O-N 3.07Å; W824-R828 VanDerWaalsContact O-N 3.1Å |
| 825 | A | 73.5 | Confident | 79.1 | Confident | 43 Ų | 43 | 113.3 Ų | 113.3 | 36% | 0.355 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q821 S822 R828 R829 | Q821-A825 WeakPolarHBondContact O-CB 3.4Å; Q821-A825 PolarHBondContact O-N 2.85Å; S822-A825 PolarHBondContact O-N 3.01Å; S822-A825 VanDerWaalsContact O-N 3.16Å; A825-R828 PolarHBondContact O-N 2.89Å; A825-R829 WeakPolarHBondContact O-CG 3.33Å; A825-R829 PolarHBondContact O-N 2.84Å |
| 826 | S | 76 | Confident | 77.9 | Confident | 63 Ų | 63 | 115.4 Ų | 115.4 | 44% | 0.441 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 177.2 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | S822 C823 R828 R829 E830 | S822-S826 WeakPolarHBondContact O-CB 3.16Å; S822-S826 PolarHBondContact O-N 2.83Å; C823-S826 PolarHBondContact O-N 2.73Å; S826-R828 PolarHBondContact O-N 2.91Å; S826-R829 PolarHBondContact O-N 2.83Å; S826-R829 VanDerWaalsContact O-N 3.08Å; S826-E830 PolarHBondContact O-N 3.41Å |
| 827 | R | 78.2 | Confident | 76.7 | Confident | 178 Ų | 178 | 117.8 Ų | 117.8 | 67% | 0.672 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.2 | -33.2 | 178.9 | -155.9 | 170.4 | -179.8 | 176.2 | -0.5 | 111.8 | C823 Q831 | C823-R827 VanDerWaalsContact O-CB 3.25Å; C823-R827 WeakPolarHBondContact O-CB 3.38Å; C823-R827 PolarHBondContact O-N 3.05Å; R827-Q831 WeakPolarHBondContact O-CB 3.41Å; R827-Q831 PolarHBondContact O-N 2.92Å; R827-Q831 VanDerWaalsContact O-N 3.08Å |
| 828 | R | 73 | Confident | 75.5 | Confident | 192 Ų | 192 | 116.5 Ų | 116.5 | 73% | 0.725 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -71 | -36.6 | 173.2 | -164.8 | 164.2 | -175.4 | 141.7 | -0.7 | 112.7 | W824 A825 S826 L832 | W824-R828 WeakPolarHBondContact O-CB 3.39Å; W824-R828 PolarHBondContact O-N 3.07Å; W824-R828 VanDerWaalsContact O-N 3.1Å; A825-R828 PolarHBondContact O-N 2.89Å; S826-R828 PolarHBondContact O-N 2.91Å; R828-L832 PolarHBondContact O-N 2.93Å |
| 829 | R | 76.6 | Confident | 74 | Confident | 179 Ų | 179 | 116.2 Ų | 116.2 | 68% | 0.675 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.6 | -42.3 | 173.2 | -72.2 | -179.3 | -160 | 177.9 | 4.6 | 112.4 | A825 S826 Q831 L832 L833 | A825-R829 WeakPolarHBondContact O-CG 3.33Å; A825-R829 PolarHBondContact O-N 2.84Å; S826-R829 PolarHBondContact O-N 2.83Å; S826-R829 VanDerWaalsContact O-N 3.08Å; R829-Q831 VanDerWaalsContact C-N 3.3Å; R829-Q831 PolarHBondContact O-N 2.94Å; R829-L832 PolarHBondContact O-N 2.89Å; R829-L833 WeakPolarHBondContact O-CB 3.42Å; R829-L833 WeakPolarHBondContact O-CG 3.36Å; R829-L833 PolarHBondContact O-N 3.4Å |
| 830 | E | 77.6 | Confident | 72.3 | Confident | 102 Ų | 102 | 115.4 Ų | 115.4 | 48% | 0.477 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.9 | -40.8 | 174 | -82 | -172.4 | 148.9 | 0 | 0 | 111.7 | S826 L833 R834 | S826-E830 PolarHBondContact O-N 3.41Å; E830-L833 PolarHBondContact O-N 3.05Å; E830-R834 WeakPolarHBondContact O-CB 3.49Å; E830-R834 WeakPolarHBondContact O-CG 3.17Å; E830-R834 PolarHBondContact O-N 3.46Å |
| 831 | Q | 76.3 | Confident | 70.6 | Confident | 121 Ų | 121 | 114.4 Ų | 114.4 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.3 | -42.9 | 178.1 | -164.9 | 163.6 | -10.4 | 0 | 0 | 111.5 | R827 R829 R834 E835 | R827-Q831 WeakPolarHBondContact O-CB 3.41Å; R827-Q831 PolarHBondContact O-N 2.92Å; R827-Q831 VanDerWaalsContact O-N 3.08Å; R829-Q831 VanDerWaalsContact C-N 3.3Å; R829-Q831 PolarHBondContact O-N 2.94Å; Q831-R834 PolarHBondContact O-N 3.25Å; Q831-E835 WeakPolarHBondContact O-CB 3.37Å; Q831-E835 WeakPolarHBondContact O-CG 3.03Å; Q831-E835 PolarHBondContact O-N 3.34Å |
| 832 | L | 70.1 | Confident | 69.2 | Low | 93 Ų | 93 | 119 Ų | 119 | 49% | 0.487 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.4 | -43.2 | 171.5 | -85.4 | 160.5 | 0 | 0 | 0 | 112.5 | R828 R829 E835 M836 | R828-L832 PolarHBondContact O-N 2.93Å; R829-L832 PolarHBondContact O-N 2.89Å; L832-E835 PolarHBondContact O-N 3.3Å; L832-M836 WeakPolarHBondContact O-CB 3.29Å; L832-M836 VanDerWaalsContact O-CG 3.26Å; L832-M836 WeakPolarHBondContact O-CG 3.33Å; L832-M836 PolarHBondContact O-N 2.03Å |
| 833 | L | 72.3 | Confident | 67.6 | Low | 102 Ų | 102 | 120.6 Ų | 120.6 | 53% | 0.534 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67 | -39.9 | 178.2 | -80 | 164.7 | 0 | 0 | 0 | 112.2 | R829 E830 M836 Q837 | R829-L833 WeakPolarHBondContact O-CB 3.42Å; R829-L833 WeakPolarHBondContact O-CG 3.36Å; R829-L833 PolarHBondContact O-N 3.4Å; E830-L833 PolarHBondContact O-N 3.05Å; L833-M836 PolarHBondContact O-N 2Å; L833-Q837 WeakPolarHBondContact O-CB 3.31Å; L833-Q837 PolarHBondContact O-N 3.13Å |
| 834 | R | 74.1 | Confident | 66.1 | Low | 170 Ų | 170 | 127.2 Ų | 127.2 | 64% | 0.642 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.4 | -39.2 | 173.4 | -73.8 | 179.9 | -173.1 | -167.6 | 3.7 | 111.8 | E830 Q831 Q838 | E830-R834 WeakPolarHBondContact O-CB 3.49Å; E830-R834 WeakPolarHBondContact O-CG 3.17Å; E830-R834 PolarHBondContact O-N 3.46Å; Q831-R834 PolarHBondContact O-N 3.25Å; R834-Q838 WeakPolarHBondContact O-CB 3.46Å; R834-Q838 PolarHBondContact O-N 3.46Å |
| 835 | E | 72.3 | Confident | 64.7 | Low | 91 Ų | 91 | 123.8 Ų | 123.8 | 43% | 0.425 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.7 | -43.8 | 173.6 | -77.1 | 173.3 | -173.4 | 0 | 0 | 111.3 | Q831 L832 Q838 M839 | Q831-E835 WeakPolarHBondContact O-CB 3.37Å; Q831-E835 WeakPolarHBondContact O-CG 3.03Å; Q831-E835 PolarHBondContact O-N 3.34Å; L832-E835 PolarHBondContact O-N 3.3Å; E835-Q838 CarbonylContact O-C 3.55Å; E835-Q838 PolarHBondContact O-N 3.1Å; E835-M839 WeakPolarHBondContact O-CB 3.46Å; E835-M839 VanDerWaalsContact O-CG 3.28Å; E835-M839 WeakPolarHBondContact O-CG 3.26Å; E835-M839 PolarHBondContact O-N 3.13Å |
| 836 | M | 59.7 | Low | 63.6 | Low | 116 Ų | 116 | 128.2 Ų | 128.2 | 57% | 0.571 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.2 | -41.2 | 175 | -73.3 | -178 | 77.3 | 0 | 0 | 112.3 | L832 L833 M839 A840 | L832-M836 WeakPolarHBondContact O-CB 3.29Å; L832-M836 VanDerWaalsContact O-CG 3.26Å; L832-M836 WeakPolarHBondContact O-CG 3.33Å; L832-M836 PolarHBondContact O-N 2.03Å; L833-M836 PolarHBondContact O-N 2Å; M836-M839 HydrophobicContact CG-CE 4.21Å; M836-M839 PolarHBondContact O-N 2.61Å; M836-A840 VanDerWaalsContact O-CB 3.27Å; M836-A840 WeakPolarHBondContact O-CB 3.39Å; M836-A840 PolarHBondContact O-N 3.36Å |
| 837 | Q | 63.7 | Low | 62.5 | Low | 134 Ų | 134 | 127.9 Ų | 127.9 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.6 | -39.2 | 173 | -88.6 | 173.8 | -52.7 | 0 | 0 | 111.8 | L833 M839 A840 S841 | L833-Q837 WeakPolarHBondContact O-CB 3.31Å; L833-Q837 PolarHBondContact O-N 3.13Å; Q837-M839 VanDerWaalsContact C-N 3.32Å; Q837-M839 PolarHBondContact O-N 2.78Å; Q837-A840 CarbonylContact O-C 3.38Å; Q837-A840 PolarHBondContact O-N 2.04Å; Q837-S841 WeakPolarHBondContact O-CB 3.5Å; Q837-S841 PolarHBondContact O-N 2.67Å; Q837-S841 PolarHBondContact O-OG 3.15Å; Q837-S841 VanDerWaalsContact O-OG 3.14Å |
| 838 | Q | 62.3 | Low | 61.3 | Low | 129 Ų | 129 | 126 Ų | 126 | 60% | 0.603 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.7 | -33.5 | 172.5 | -92.2 | -171.8 | -30.1 | 0 | 0 | 112.5 | R834 E835 R842 | R834-Q838 WeakPolarHBondContact O-CB 3.46Å; R834-Q838 PolarHBondContact O-N 3.46Å; E835-Q838 CarbonylContact O-C 3.55Å; E835-Q838 PolarHBondContact O-N 3.1Å; Q838-R842 WeakPolarHBondContact O-CG 3.3Å; Q838-R842 PolarHBondContact O-N 2.91Å |
| 839 | M | 54.9 | Low | 60.4 | Low | 118 Ų | 118 | 120.4 Ų | 120.4 | 58% | 0.581 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.1 | -38.2 | 172.9 | -74 | -167.9 | -71.8 | 0 | 0 | 111.4 | E835 M836 Q837 | E835-M839 WeakPolarHBondContact O-CB 3.46Å; E835-M839 VanDerWaalsContact O-CG 3.28Å; E835-M839 WeakPolarHBondContact O-CG 3.26Å; E835-M839 PolarHBondContact O-N 3.13Å; M836-M839 HydrophobicContact CG-CE 4.21Å; M836-M839 PolarHBondContact O-N 2.61Å; Q837-M839 VanDerWaalsContact C-N 3.32Å; Q837-M839 PolarHBondContact O-N 2.78Å |
| 840 | A | 48.6 | Very low | 59.4 | Low | 88 Ų | 88 | 116.8 Ų | 116.8 | 73% | 0.727 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -75.2 | -26.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M836 Q837 | M836-A840 VanDerWaalsContact O-CB 3.27Å; M836-A840 WeakPolarHBondContact O-CB 3.39Å; M836-A840 PolarHBondContact O-N 3.36Å; Q837-A840 CarbonylContact O-C 3.38Å; Q837-A840 PolarHBondContact O-N 2.04Å |
| 841 | S | 53 | Low | 58.4 | Low | 84 Ų | 84 | 116.3 Ų | 116.3 | 59% | 0.587 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 6 | 178.8 | 78.7 | 0 | 0 | 0 | 0 | 113.5 | Q837 P843 | Q837-S841 WeakPolarHBondContact O-CB 3.5Å; Q837-S841 PolarHBondContact O-N 2.67Å; Q837-S841 PolarHBondContact O-OG 3.15Å; Q837-S841 VanDerWaalsContact O-OG 3.14Å; S841-P843 VanDerWaalsContact O-CD 3.23Å; S841-P843 WeakPolarHBondContact O-CD 3.34Å |
| 842 | R | 52.5 | Low | 57.2 | Low | 184 Ų | 184 | 116.8 Ų | 116.8 | 69% | 0.694 | 63% | 0.625 | S | S | * | * | trans | -71.8 | 116.5 | 172.4 | -59.5 | -164.5 | 175.8 | 176.1 | -1.1 | 107.9 | Q838 | Q838-R842 WeakPolarHBondContact O-CG 3.3Å; Q838-R842 PolarHBondContact O-N 2.91Å | ||
| 843 | P | 43.8 | Very low | 55.8 | Low | 115 Ų | 115 | 117.1 Ų | 117.1 | 75% | 0.747 | 64% | 0.641 | S | S | * | * | trans | -62.1 | 147.7 | 166.8 | 27.9 | -31.5 | 0 | 0 | 0 | 108.4 | S841 A845 | S841-P843 VanDerWaalsContact O-CD 3.23Å; S841-P843 WeakPolarHBondContact O-CD 3.34Å; P843-A845 PolarHBondContact O-N 2.83Å; P843-A845 VanDerWaalsContact O-N 3.08Å | ||
| 844 | F | 51.1 | Low | 54.7 | Low | 213 Ų | 213 | 119 Ų | 119 | 93% | 0.934 | 65% | 0.651 | S | S | * | * | trans | -44.5 | 119.7 | 174.5 | -64.4 | -82.2 | 0 | 0 | 0 | 110.2 | T846 | F844-T846 PolarHBondContact O-N 2.9Š| ||
| 845 | A | 49.2 | Very low | 53.2 | Low | 85 Ų | 85 | 119.4 Ų | 119.4 | 70% | 0.702 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -75 | 116.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | P843 I847 | P843-A845 PolarHBondContact O-N 2.83Å; P843-A845 VanDerWaalsContact O-N 3.08Å; A845-I847 PolarHBondContact O-N 3.34Å |
| 846 | T | 50.9 | Low | 52 | Low | 136 Ų | 136 | 124.4 Ų | 124.4 | 83% | 0.834 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -74 | 119.6 | 168.7 | 41 | 0 | 0 | 0 | 0 | 109.7 | F844 | F844-T846 PolarHBondContact O-N 2.9Š|
| 847 | I | 53.2 | Low | 50.9 | Low | 55 Ų | 55 | 124.3 Ų | 124.3 | 28% | 0.282 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -103.3 | 124.1 | 179.7 | -57.2 | 168.1 | 0 | 0 | 0 | 108.1 | A845 V849 I872 | A845-I847 PolarHBondContact O-N 3.34Å; I847-V849 HydrophobicContact CG2-CG2 4.46Å; I847-V849 PolarHBondContact O-N 3.34Å; I847-I872 HydrophobicContact CD1-CB 3.98Å; I847-I872 HydrophobicContact CD1-CG1 3.88Å; I847-I872 HydrophobicContact CD1-CG2 3.87Å |
| 848 | N | 52.2 | Low | 49.8 | Very low | 140 Ų | 140 | 123.7 Ų | 123.7 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | trans | -78 | 115.7 | 172.9 | -69.4 | -19.2 | 0 | 0 | 0 | 108.9 | ||||
| 849 | V | 54.4 | Low | 49 | Very low | 74 Ų | 74 | 125.2 Ų | 125.2 | 45% | 0.448 | 71% | 0.712 | S | S | . | * | trans | -102.2 | 116 | 177 | -170.5 | 0 | 0 | 0 | 0 | 108.1 | I847 L851 | I847-V849 HydrophobicContact CG2-CG2 4.46Å; I847-V849 PolarHBondContact O-N 3.34Å; V849-L851 HydrophobicContact CG1-CD1 4.33Å; V849-L851 HydrophobicContact CG1-CD2 3.93Å; V849-L851 HydrophobicContact CG1-CG 3.87Å; V849-L851 PolarHBondContact O-N 3.12Å | ||
| 850 | A | 55.3 | Low | 48 | Very low | 103 Ų | 103 | 127 Ų | 127 | 85% | 0.851 | 72% | 0.723 | S | S | * | * | trans | -80.6 | 111.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 851 | L | 55.8 | Low | 47.7 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 48% | 0.482 | 73% | 0.728 | S | S | . | * | trans | -115.8 | 111.2 | 174.4 | -63.1 | 169.8 | 0 | 0 | 0 | 106.5 | V849 L907 | V849-L851 HydrophobicContact CG1-CD1 4.33Å; V849-L851 HydrophobicContact CG1-CD2 3.93Å; V849-L851 HydrophobicContact CG1-CG 3.87Å; V849-L851 PolarHBondContact O-N 3.12Å; L851-L907 HydrophobicContact CD2-CD2 4.11Å | ||
| 852 | E | 51.1 | Low | 47 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 61% | 0.612 | 74% | 0.741 | S | S | * | * | trans | 81.5 | 118.1 | 178.7 | -74.3 | 149.5 | -156.4 | 0 | 0 | 117.4 | R890 | E852-R890 IonicContact OE1-CZ 3.94Å; E852-R890 IonicContact OE1-NH1 2.75Å; E852-R890 PolarHBondContact OE1-NH1 3.01Å; E852-R890 VanDerWaalsContact OE1-NH1 3.08Å; E852-R890 IonicContact OE1-NH2 3.93Å; E852-R890 PolarHBondContact OE1-NH2 2.86Å | ||
| 853 | A | 42.2 | Very low | 46 | Very low | 99 Ų | 99 | 125 Ų | 125 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -125.8 | 79.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 854 | D | 47.6 | Very low | 45.4 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | -85.1 | 132.8 | 160.8 | -78.3 | -31.6 | 0 | 0 | 0 | 107 | ||||
| 855 | E | 44.2 | Very low | 45.2 | Very low | 179 Ų | 179 | 123.4 Ų | 123.4 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 87.9 | 111.6 | -175.4 | -52.7 | -151.3 | 155.5 | 0 | 0 | 116.8 | P857 | E855-P857 WeakPolarHBondContact O-CD 3.28Š|
| 856 | E | 46.3 | Very low | 45 | Very low | 196 Ų | 196 | 127.9 Ų | 127.9 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 130.8 | 158.4 | -68 | -173.6 | 152.4 | 0 | 0 | 109.8 | ||
| 857 | P | 37.2 | Very low | 44.6 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 152.3 | 163.1 | 12.8 | 7.1 | 0 | 0 | 0 | 111.6 | E855 | E855-P857 WeakPolarHBondContact O-CD 3.28Š|
| 858 | P | 40.8 | Very low | 44.5 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 161.8 | -169.5 | 34.3 | -38.5 | 0 | 0 | 0 | 112.4 | L860 | P858-L860 PolarHBondContact O-N 3.2Š|
| 859 | D | 43.9 | Very low | 44.6 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -39.9 | 123.9 | 165.3 | -77.6 | -41.2 | 0 | 0 | 0 | 111.6 | ||||
| 860 | L | 35 | Very low | 44.7 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -177.8 | 103.1 | 148.5 | -94.9 | 155 | 0 | 0 | 0 | 112 | P858 | P858-L860 PolarHBondContact O-N 3.2Š| ||
| 861 | I | 42.9 | Very low | 45.2 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | 31.8 | 106.7 | 135.9 | -47.1 | 174.3 | 0 | 0 | 0 | 117.6 | ||||
| 862 | G | 37.3 | Very low | 45.9 | Very low | 84 Ų | 84 | 128.6 Ų | 128.6 | 87% | 0.866 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 110.3 | 81.3 | 152.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 863 | G | 31.6 | Very low | 47 | Very low | 69 Ų | 69 | 124 Ų | 124 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | trans | 139.6 | 99.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V865 | G863-V865 PolarHBondContact O-N 2.67Š| ||
| 864 | N | 32.1 | Very low | 48.6 | Very low | 160 Ų | 160 | 123.4 Ų | 123.4 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | trans | -73.4 | 93.3 | -175.2 | -148.9 | -12 | 0 | 0 | 0 | 110.6 | K866 | N864-K866 PolarHBondContact O-N 2.97Š| ||
| 865 | V | 46.8 | Very low | 50 | Low | 133 Ų | 133 | 122.6 Ų | 122.6 | 81% | 0.806 | 70% | 0.7 | S | S | * | * | trans | -81 | 96.3 | 166.9 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | G863 | G863-V865 PolarHBondContact O-N 2.67Š| ||
| 866 | K | 43.3 | Very low | 51.5 | Low | 180 Ų | 180 | 118.3 Ų | 118.3 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | trans | -148.2 | 68.8 | 158.7 | -76 | -166.2 | -179.8 | 176.4 | 0 | 110.3 | N864 V868 | N864-K866 PolarHBondContact O-N 2.97Å; K866-V868 PolarHBondContact O-N 2.81Å | ||
| 867 | S | 42.7 | Very low | 52.8 | Low | 114 Ų | 114 | 111.1 Ų | 111.1 | 80% | 0.797 | 66% | 0.659 | S | S | * | * | trans | -76.5 | 102.5 | 163.5 | 59.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 868 | V | 52.3 | Low | 54.2 | Low | 122 Ų | 122 | 116.3 Ų | 116.3 | 74% | 0.739 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 133.3 | 170.4 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | K866 K870 | K866-V868 PolarHBondContact O-N 2.81Å; V868-K870 PolarHBondContact O-N 2.9Å |
| 869 | P | 54.1 | Low | 55.6 | Low | 104 Ų | 104 | 113.2 Ų | 113.2 | 68% | 0.675 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -58 | 129 | 177.2 | 21.5 | -30.9 | 0 | 0 | 0 | 109.7 | ||
| 870 | K | 56.1 | Low | 56.7 | Low | 154 Ų | 154 | 111.4 Ų | 111.4 | 67% | 0.67 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 135.3 | -179.7 | -68.6 | -176.8 | 179.4 | 178.9 | 0 | 109.3 | V868 | V868-K870 PolarHBondContact O-N 2.9Š|
| 871 | P | 65.9 | Low | 58.4 | Low | 60 Ų | 60 | 111.8 Ų | 111.8 | 39% | 0.39 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 147 | 175.8 | 26.2 | -32.3 | 0 | 0 | 0 | 111.7 | A873 L885 I887 | P871-A873 VanDerWaalsContact C-N 3.33Å; P871-L885 HydrophobicContact CB-CD1 3.34Å; P871-L885 HydrophobicContact CB-CG 4.11Å; P871-L885 HydrophobicContact CG-CD1 3.74Å; P871-I887 HydrophobicContact CB-CG2 4.25Å |
| 872 | I | 70.6 | Confident | 60.1 | Low | 60 Ų | 60 | 105.3 Ų | 105.3 | 31% | 0.308 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -64.3 | -45 | 172.9 | -54.5 | 168.7 | 0 | 0 | 0 | 109 | I847 S886 F888 V909 | I847-I872 HydrophobicContact CD1-CB 3.98Å; I847-I872 HydrophobicContact CD1-CG1 3.88Å; I847-I872 HydrophobicContact CD1-CG2 3.87Å; I872-S886 WeakPolarHBondContact CB-O 3.46Å; I872-S886 PolarHBondContact N-O 2.88Å; I872-F888 HydrophobicContact CD1-CB 4.43Å; I872-F888 HydrophobicContact CD1-CD1 4.12Å; I872-F888 HydrophobicContact CD1-CD2 3.35Å; I872-F888 HydrophobicContact CD1-CE1 4.21Å; I872-F888 HydrophobicContact CD1-CE2 3.44Å; I872-F888 VanDerWaalsContact CD1-CE2 3.44Å; I872-F888 HydrophobicContact CD1-CG 3.71Å; I872-F888 HydrophobicContact CD1-CZ 3.88Å; I872-F888 HydrophobicContact CG1-CD2 3.66Å; I872-F888 HydrophobicContact CG1-CE2 3.8Å; I872-F888 HydrophobicContact CG1-CG 4.4Å; I872-V909 HydrophobicContact CD1-CG1 4.07Å; I872-V909 HydrophobicContact CD1-CG2 4.25Å |
| 873 | A | 73.5 | Confident | 62.1 | Low | 34 Ų | 34 | 101.3 Ų | 101.3 | 28% | 0.281 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -150.2 | 150.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P871 S886 | P871-A873 VanDerWaalsContact C-N 3.33Å; A873-S886 PolarHBondContact N-O 2.84Å; A873-S886 PolarHBondContact O-N 3.22Å |
| 874 | L | 76 | Confident | 64.4 | Low | 87 Ų | 87 | 100.3 Ų | 100.3 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.9 | 108.4 | 169.5 | -174.1 | 83.3 | 0 | 0 | 0 | 107.4 | A883 V884 L885 V914 | L874-A883 HydrophobicContact CD1-CB 3.8Å; L874-A883 HydrophobicContact CD2-CB 4.37Å; L874-A883 HydrophobicContact CG-CB 3.78Å; L874-V884 CarbonylContact C-O 3.15Å; L874-V884 WeakPolarHBondContact CA-O 3.23Å; L874-L885 HydrophobicContact CD1-CB 4.05Å; L874-L885 HydrophobicContact CD1-CD1 3.45Å; L874-L885 VanDerWaalsContact CD1-CD1 3.45Å; L874-L885 HydrophobicContact CD1-CG 4.4Å; L874-V914 HydrophobicContact CD1-CG2 3.76Å |
| 875 | E | 76.6 | Confident | 66.6 | Low | 126 Ų | 126 | 94.6 Ų | 94.6 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 108.5 | -174.9 | -66.7 | -175.5 | 169 | 0 | 0 | 110.6 | C877 A883 V884 | E875-C877 PolarHBondContact O-N 2.94Å; E875-A883 CarbonylContact O-C 3.5Å; E875-A883 WeakPolarHBondContact O-CA 3.49Å; E875-A883 WeakPolarHBondContact O-CB 3.39Å; E875-V884 HydrophobicContact CB-CB 4.45Å; E875-V884 PolarHBondContact N-O 3.01Å; E875-V884 PolarHBondContact O-N 2.96Å |
| 876 | P | 75.8 | Confident | 68.3 | Low | 88 Ų | 88 | 89.2 Ų | 89.2 | 57% | 0.571 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 134.4 | -178.4 | 26.6 | -32.4 | 0 | 0 | 0 | 111.8 | ||
| 877 | C | 74.4 | Confident | 69.9 | Low | 45 Ų | 45 | 83.6 Ų | 83.6 | 30% | 0.304 | 47% | 0.47 | S | S | . | . | trans | -76.6 | 160.6 | 173 | -59.1 | 0 | 0 | 0 | 0 | 111 | E875 G879 N880 A882 L913 | E875-C877 PolarHBondContact O-N 2.94Å; C877-G879 PolarHBondContact O-N 2.87Å; C877-N880 PolarHBondContact O-N 2.9Å; C877-A882 HydrophobicContact CB-CB 4.46Å; C877-A882 WeakPolarHBondContact CB-O 3.09Å; C877-A882 PolarHBondContact N-O 3.27Å; C877-L913 VanDerWaalsContact SG-CD1 3.56Å | ||
| 878 | F | 66.3 | Low | 71.3 | Confident | 224 Ų | 224 | 82.9 Ų | 82.9 | 98% | 0.982 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 113 | 178.8 | -171.9 | -97.6 | 0 | 0 | 0 | 111.2 | ||
| 879 | G | 69.8 | Low | 72.2 | Confident | 55 Ų | 55 | 79.7 Ų | 79.7 | 57% | 0.567 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.6 | 2.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | C877 K881 | C877-G879 PolarHBondContact O-N 2.87Å; G879-K881 PolarHBondContact O-N 2.87Å |
| 880 | N | 66.8 | Low | 72.8 | Confident | 123 Ų | 123 | 79.6 Ų | 79.6 | 66% | 0.658 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 56.3 | 16.9 | 173.2 | -70 | -5.1 | 0 | 0 | 0 | 116.2 | C877 | C877-N880 PolarHBondContact O-N 2.9Š|
| 881 | K | 71.8 | Confident | 73.3 | Confident | 162 Ų | 162 | 75.9 Ų | 75.9 | 70% | 0.704 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -91.9 | -25.5 | 177 | -67.9 | -177.2 | -179.5 | -176.8 | 0 | 113 | G879 V916 | G879-K881 PolarHBondContact O-N 2.87Å; K881-V916 PolarHBondContact O-N 2.84Å; K881-V916 VanDerWaalsContact O-N 3.11Å |
| 882 | A | 78.8 | Confident | 73 | Confident | 27 Ų | 27 | 79.2 Ų | 79.2 | 22% | 0.223 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 160.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110 | C877 L913 V914 | C877-A882 HydrophobicContact CB-CB 4.46Å; C877-A882 WeakPolarHBondContact CB-O 3.09Å; C877-A882 PolarHBondContact N-O 3.27Å; A882-L913 HydrophobicContact CB-CD1 4.21Å; A882-L913 HydrophobicContact CB-CG 4.37Å; A882-V914 CarbonylContact C-O 3.47Å; A882-V914 WeakPolarHBondContact CA-O 3.26Å |
| 883 | A | 78.1 | Confident | 72.5 | Confident | 1 Ų | 1 | 80.1 Ų | 80.1 | 1% | 0.008 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 153.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L874 E875 L913 V914 V916 | L874-A883 HydrophobicContact CD1-CB 3.8Å; L874-A883 HydrophobicContact CD2-CB 4.37Å; L874-A883 HydrophobicContact CG-CB 3.78Å; E875-A883 CarbonylContact O-C 3.5Å; E875-A883 WeakPolarHBondContact O-CA 3.49Å; E875-A883 WeakPolarHBondContact O-CB 3.39Å; A883-L913 CarbonylContact O-C 3.39Å; A883-L913 WeakPolarHBondContact O-CA 3.06Å; A883-V914 HydrophobicContact CB-CG2 4.31Å; A883-V914 PolarHBondContact N-O 2.8Å; A883-V914 WeakPolarHBondContact O-CG2 3.42Å; A883-V914 PolarHBondContact O-N 3.37Å; A883-V916 HydrophobicContact CB-CG2 3.49Å; A883-V916 VanDerWaalsContact CB-CG2 3.49Å |
| 884 | V | 81.4 | Confident | 71.8 | Confident | 47 Ų | 47 | 81 Ų | 81 | 29% | 0.285 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 113.1 | 170.2 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | L874 E875 L913 | L874-V884 CarbonylContact C-O 3.15Å; L874-V884 WeakPolarHBondContact CA-O 3.23Å; E875-V884 HydrophobicContact CB-CB 4.45Å; E875-V884 PolarHBondContact N-O 3.01Å; E875-V884 PolarHBondContact O-N 2.96Å; V884-L913 HydrophobicContact CG2-CD1 3.98Å |
| 885 | L | 78.8 | Confident | 70.9 | Confident | 41 Ų | 41 | 83.8 Ų | 83.8 | 22% | 0.215 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 124.8 | 175.2 | -174 | 82 | 0 | 0 | 0 | 109.4 | P871 L874 I887 S911 A912 V914 | P871-L885 HydrophobicContact CB-CD1 3.34Å; P871-L885 HydrophobicContact CB-CG 4.11Å; P871-L885 HydrophobicContact CG-CD1 3.74Å; L874-L885 HydrophobicContact CD1-CB 4.05Å; L874-L885 HydrophobicContact CD1-CD1 3.45Å; L874-L885 VanDerWaalsContact CD1-CD1 3.45Å; L874-L885 HydrophobicContact CD1-CG 4.4Å; L885-I887 HydrophobicContact CD2-CG2 3.99Å; L885-I887 HydrophobicContact CG-CG2 4.07Å; L885-S911 CarbonylContact O-C 3.57Å; L885-S911 VanDerWaalsContact O-CA 3.23Å; L885-S911 WeakPolarHBondContact O-CA 3.48Å; L885-A912 WeakPolarHBondContact CB-O 3.43Å; L885-A912 PolarHBondContact N-O 3.05Å; L885-A912 PolarHBondContact O-N 3.29Å; L885-V914 HydrophobicContact CB-CG1 3.94Å; L885-V914 HydrophobicContact CB-CG2 4.01Å; L885-V914 HydrophobicContact CD2-CG1 4.14Å |
| 886 | S | 82.1 | Confident | 70 | Confident | 20 Ų | 20 | 80.7 Ų | 80.7 | 14% | 0.14 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.9 | 172.5 | -64.5 | 0 | 0 | 0 | 0 | 110.8 | I872 A873 A910 S911 | I872-S886 WeakPolarHBondContact CB-O 3.46Å; I872-S886 PolarHBondContact N-O 2.88Å; A873-S886 PolarHBondContact N-O 2.84Å; A873-S886 PolarHBondContact O-N 3.22Å; S886-A910 WeakPolarHBondContact CA-O 3.27Å; S886-S911 PolarHBondContact OG-OG 2.85Å |
| 887 | I | 76.3 | Confident | 69.1 | Low | 61 Ų | 61 | 78.5 Ų | 78.5 | 31% | 0.313 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 154.8 | -176.9 | 56.7 | 167.7 | 0 | 0 | 0 | 111.4 | P871 L885 V889 V909 A910 | P871-I887 HydrophobicContact CB-CG2 4.25Å; L885-I887 HydrophobicContact CD2-CG2 3.99Å; L885-I887 HydrophobicContact CG-CG2 4.07Å; I887-V889 HydrophobicContact CD1-CG2 3.91Å; I887-V889 HydrophobicContact CG1-CG2 3.98Å; I887-V909 WeakPolarHBondContact O-CA 2.96Å; I887-A910 HydrophobicContact CG1-CB 4.41Å; I887-A910 PolarHBondContact N-O 2.88Å; I887-A910 PolarHBondContact O-N 3.09Å |
| 888 | F | 72.6 | Confident | 68.3 | Low | 99 Ų | 99 | 83 Ų | 83 | 43% | 0.434 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 133.3 | 167.8 | -81.6 | -66.1 | 0 | 0 | 0 | 109.9 | I872 V909 | I872-F888 HydrophobicContact CD1-CB 4.43Å; I872-F888 HydrophobicContact CD1-CD1 4.12Å; I872-F888 HydrophobicContact CD1-CD2 3.35Å; I872-F888 HydrophobicContact CD1-CE1 4.21Å; I872-F888 HydrophobicContact CD1-CE2 3.44Å; I872-F888 VanDerWaalsContact CD1-CE2 3.44Å; I872-F888 HydrophobicContact CD1-CG 3.71Å; I872-F888 HydrophobicContact CD1-CZ 3.88Å; I872-F888 HydrophobicContact CG1-CD2 3.66Å; I872-F888 HydrophobicContact CG1-CE2 3.8Å; I872-F888 HydrophobicContact CG1-CG 4.4Å; F888-V909 HydrophobicContact CD1-CG2 3.9Å; F888-V909 HydrophobicContact CE1-CG2 3.55Å; F888-V909 HydrophobicContact CZ-CG2 4.28Å |
| 889 | V | 70.4 | Confident | 67.8 | Low | 56 Ų | 56 | 74.1 Ų | 74.1 | 34% | 0.339 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137 | 177.8 | -174.6 | 0 | 0 | 0 | 0 | 109 | I887 A908 A910 | I887-V889 HydrophobicContact CD1-CG2 3.91Å; I887-V889 HydrophobicContact CG1-CG2 3.98Å; V889-A908 PolarHBondContact N-O 2.93Å; V889-A908 PolarHBondContact O-N 2.86Å; V889-A910 HydrophobicContact CB-CB 4.44Å; V889-A910 HydrophobicContact CG2-CB 3.58Å |
| 890 | R | 67.6 | Low | 67.4 | Low | 101 Ų | 101 | 75 Ų | 75 | 38% | 0.381 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 124.2 | 172.2 | -175.1 | 170.1 | 171.6 | 157.6 | -10.2 | 108.7 | E852 R893 G906 L907 | E852-R890 IonicContact OE1-CZ 3.94Å; E852-R890 IonicContact OE1-NH1 2.75Å; E852-R890 PolarHBondContact OE1-NH1 3.01Å; E852-R890 VanDerWaalsContact OE1-NH1 3.08Å; E852-R890 IonicContact OE1-NH2 3.93Å; E852-R890 PolarHBondContact OE1-NH2 2.86Å; R890-R893 VanDerWaalsContact CZ-CZ 3.5Å; R890-G906 CarbonylContact C-O 3.57Å; R890-G906 WeakPolarHBondContact CA-O 3.27Å; R890-L907 HydrophobicContact CB-CD2 4.36Å |
| 891 | L | 65.6 | Low | 66.7 | Low | 77 Ų | 77 | 75.7 Ų | 75.7 | 40% | 0.403 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 147.4 | 174.9 | -66.7 | 175.7 | 0 | 0 | 0 | 109.9 | R893 G906 A908 | L891-R893 PolarHBondContact O-N 3.25Å; L891-G906 PolarHBondContact N-O 3.17Å; L891-A908 HydrophobicContact CD1-CB 3.95Å; L891-A908 HydrophobicContact CD2-CB 3.98Å; L891-A908 HydrophobicContact CG-CB 3.84Å |
| 892 | P | 61 | Low | 66.2 | Low | 130 Ų | 130 | 72.2 Ų | 72.2 | 84% | 0.844 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -58 | 125.1 | -179.5 | 20.9 | -30.3 | 0 | 0 | 0 | 110.4 | ||
| 893 | R | 59.7 | Low | 65.2 | Low | 79 Ų | 79 | 76.6 Ų | 76.6 | 30% | 0.298 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -92.4 | 140.1 | 173 | -58.8 | -173.6 | -178.1 | 170.8 | -2.7 | 107.5 | R890 L891 G897 A905 | R890-R893 VanDerWaalsContact CZ-CZ 3.5Å; L891-R893 PolarHBondContact O-N 3.25Å; R893-G897 WeakPolarHBondContact CD-O 3.48Å; R893-A905 PolarHBondContact NH2-O 3.44Å |
| 894 | G | 59.1 | Low | 64 | Low | 53 Ų | 53 | 81.9 Ų | 81.9 | 55% | 0.546 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 170.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G896 G897 | G894-G896 PolarHBondContact O-N 2.9Å; G894-G897 PolarHBondContact O-N 3.36Å |
| 895 | S | 55.7 | Low | 62.9 | Low | 145 Ų | 145 | 82.6 Ų | 82.6 | 100% | 1.014 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -10.6 | -175.7 | 45.1 | 0 | 0 | 0 | 0 | 116 | ||
| 896 | G | 57.6 | Low | 62.1 | Low | 60 Ų | 60 | 80.8 Ų | 80.8 | 62% | 0.619 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 5.5 | 175 | 0 | 0 | 0 | 0 | 0 | 116 | G894 I898 | G894-G896 PolarHBondContact O-N 2.9Å; G896-I898 WeakPolarHBondContact O-CG1 3.12Å; G896-I898 PolarHBondContact O-N 2.59Å |
| 897 | G | 58 | Low | 61.5 | Low | 43 Ų | 43 | 83.1 Ų | 83.1 | 44% | 0.443 | 53% | 0.53 | S | S | . | . | S | Bend | trans | 70.2 | -5.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | R893 G894 | R893-G897 WeakPolarHBondContact CD-O 3.48Å; G894-G897 PolarHBondContact O-N 3.36Å |
| 898 | I | 57 | Low | 61.3 | Low | 139 Ų | 139 | 81.7 Ų | 81.7 | 71% | 0.713 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -103.9 | 131.3 | -178 | -56 | 161 | 0 | 0 | 0 | 109.4 | G896 | G896-I898 WeakPolarHBondContact O-CG1 3.12Å; G896-I898 PolarHBondContact O-N 2.59Å |
| 899 | P | 56.8 | Low | 61.6 | Low | 38 Ų | 38 | 81.1 Ų | 81.1 | 25% | 0.247 | 53% | 0.532 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 146.5 | 175.2 | 25.3 | -30.8 | 0 | 0 | 0 | 111.7 | ||
| 900 | P | 59.7 | Low | 61.8 | Low | 72 Ų | 72 | 80.4 Ų | 80.4 | 47% | 0.468 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 147.9 | 179.2 | -21.1 | 31 | 0 | 0 | 0 | 112.7 | G902 Q903 | P900-G902 PolarHBondContact O-N 3.09Å; P900-Q903 PolarHBondContact O-N 2.74Å |
| 901 | P | 53.5 | Low | 62.5 | Low | 139 Ų | 139 | 79.5 Ų | 79.5 | 90% | 0.903 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 126.6 | 178.2 | -20 | 30.2 | 0 | 0 | 0 | 111.2 | ||
| 902 | G | 60.1 | Low | 63.2 | Low | 88 Ų | 88 | 78.2 Ų | 78.2 | 91% | 0.907 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.3 | -4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | P900 | P900-G902 PolarHBondContact O-N 3.09Š|
| 903 | Q | 58.4 | Low | 64.1 | Low | 119 Ų | 119 | 77.8 Ų | 77.8 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -108.1 | 128.6 | 171.5 | -70 | -172.2 | -6.6 | 0 | 0 | 112 | P900 A905 | P900-Q903 PolarHBondContact O-N 2.74Å; Q903-A905 PolarHBondContact O-N 3.07Å |
| 904 | S | 53.3 | Low | 65 | Low | 112 Ų | 112 | 76.2 Ų | 76.2 | 78% | 0.783 | 53% | 0.53 | S | S | * | . | trans | -67.9 | 106.6 | 174.5 | 19.7 | 0 | 0 | 0 | 0 | 111.2 | G906 | S904-G906 PolarHBondContact O-N 3.46Š| ||
| 905 | A | 56.8 | Low | 65.9 | Low | 62 Ų | 62 | 78.9 Ų | 78.9 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 6.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | R893 Q903 L907 | R893-A905 PolarHBondContact NH2-O 3.44Å; Q903-A905 PolarHBondContact O-N 3.07Å; A905-L907 VanDerWaalsContact C-N 3.29Å; A905-L907 PolarHBondContact O-N 2.77Å |
| 906 | G | 63.3 | Low | 66.7 | Low | 4 Ų | 4 | 74.7 Ų | 74.7 | 4% | 0.041 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 26.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R890 L891 S904 | R890-G906 CarbonylContact C-O 3.57Å; R890-G906 WeakPolarHBondContact CA-O 3.27Å; L891-G906 PolarHBondContact N-O 3.17Å; S904-G906 PolarHBondContact O-N 3.46Å |
| 907 | L | 69.1 | Low | 66.9 | Low | 69 Ų | 69 | 75.6 Ų | 75.6 | 36% | 0.361 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 134.3 | 173.2 | -74 | 163.5 | 0 | 0 | 0 | 109 | L851 R890 A905 | L851-L907 HydrophobicContact CD2-CD2 4.11Å; R890-L907 HydrophobicContact CB-CD2 4.36Å; A905-L907 VanDerWaalsContact C-N 3.29Å; A905-L907 PolarHBondContact O-N 2.77Å |
| 908 | A | 72.9 | Confident | 66.6 | Low | 31 Ų | 31 | 81.8 Ų | 81.8 | 26% | 0.256 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 154.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V889 L891 | V889-A908 PolarHBondContact N-O 2.93Å; V889-A908 PolarHBondContact O-N 2.86Å; L891-A908 HydrophobicContact CD1-CB 3.95Å; L891-A908 HydrophobicContact CD2-CB 3.98Å; L891-A908 HydrophobicContact CG-CB 3.84Å |
| 909 | V | 78.3 | Confident | 66.2 | Low | 87 Ų | 87 | 83.8 Ų | 83.8 | 53% | 0.527 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 123.6 | 165.4 | -179.9 | 0 | 0 | 0 | 0 | 107.1 | I872 I887 F888 | I872-V909 HydrophobicContact CD1-CG1 4.07Å; I872-V909 HydrophobicContact CD1-CG2 4.25Å; I887-V909 WeakPolarHBondContact O-CA 2.96Å; F888-V909 HydrophobicContact CD1-CG2 3.9Å; F888-V909 HydrophobicContact CE1-CG2 3.55Å; F888-V909 HydrophobicContact CZ-CG2 4.28Å |
| 910 | A | 74.3 | Confident | 65.1 | Low | 40 Ų | 40 | 90.5 Ų | 90.5 | 33% | 0.331 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.9 | 145.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | S886 I887 V889 | S886-A910 WeakPolarHBondContact CA-O 3.27Å; I887-A910 HydrophobicContact CG1-CB 4.41Å; I887-A910 PolarHBondContact N-O 2.88Å; I887-A910 PolarHBondContact O-N 3.09Å; V889-A910 HydrophobicContact CB-CB 4.44Å; V889-A910 HydrophobicContact CG2-CB 3.58Å |
| 911 | S | 82.7 | Confident | 63.7 | Low | 82 Ų | 82 | 93.4 Ų | 93.4 | 57% | 0.573 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.9 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 110 | L885 S886 | L885-S911 CarbonylContact O-C 3.57Å; L885-S911 VanDerWaalsContact O-CA 3.23Å; L885-S911 WeakPolarHBondContact O-CA 3.48Å; S886-S911 PolarHBondContact OG-OG 2.85Å |
| 912 | A | 79.8 | Confident | 62.8 | Low | 50 Ų | 50 | 94 Ų | 94 | 41% | 0.413 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.6 | 141 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L885 | L885-A912 WeakPolarHBondContact CB-O 3.43Å; L885-A912 PolarHBondContact N-O 3.05Å; L885-A912 PolarHBondContact O-N 3.29Å |
| 913 | L | 79.4 | Confident | 61.4 | Low | 122 Ų | 122 | 93.3 Ų | 93.3 | 64% | 0.639 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.6 | 126.1 | 172.7 | -169.3 | 75.1 | 0 | 0 | 0 | 109.4 | C877 A882 A883 V884 | C877-L913 VanDerWaalsContact SG-CD1 3.56Å; A882-L913 HydrophobicContact CB-CD1 4.21Å; A882-L913 HydrophobicContact CB-CG 4.37Å; A883-L913 CarbonylContact O-C 3.39Å; A883-L913 WeakPolarHBondContact O-CA 3.06Å; V884-L913 HydrophobicContact CG2-CD1 3.98Å |
| 914 | V | 78.8 | Confident | 60 | Low | 45 Ų | 45 | 99 Ų | 99 | 27% | 0.273 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.6 | 146.2 | -177.3 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | L874 A882 A883 L885 | L874-V914 HydrophobicContact CD1-CG2 3.76Å; A882-V914 CarbonylContact C-O 3.47Å; A882-V914 WeakPolarHBondContact CA-O 3.26Å; A883-V914 HydrophobicContact CB-CG2 4.31Å; A883-V914 PolarHBondContact N-O 2.8Å; A883-V914 WeakPolarHBondContact O-CG2 3.42Å; A883-V914 PolarHBondContact O-N 3.37Å; L885-V914 HydrophobicContact CB-CG1 3.94Å; L885-V914 HydrophobicContact CB-CG2 4.01Å; L885-V914 HydrophobicContact CD2-CG1 4.14Å |
| 915 | D | 79.6 | Confident | 59.2 | Low | 109 Ų | 109 | 103.1 Ų | 103.1 | 58% | 0.583 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.8 | 128.5 | 173.7 | -173.5 | -17.8 | 0 | 0 | 0 | 109.9 | S917 | D915-S917 VanDerWaalsContact OD1-CB 3.25Å; D915-S917 WeakPolarHBondContact OD1-CB 3.32Å; D915-S917 PolarHBondContact OD1-N 2.99Å; D915-S917 PolarHBondContact OD1-OG 3.39Å; D915-S917 PolarHBondContact OD2-OG 2.79Å |
| 916 | V | 71.4 | Confident | 57.9 | Low | 57 Ų | 57 | 109.7 Ų | 109.7 | 35% | 0.345 | 61% | 0.607 | S | S | . | * | trans | -107.2 | 0.9 | -174.8 | -160.4 | 0 | 0 | 0 | 0 | 111.8 | K881 A883 Q918 | K881-V916 PolarHBondContact O-N 2.84Å; K881-V916 VanDerWaalsContact O-N 3.11Å; A883-V916 HydrophobicContact CB-CG2 3.49Å; A883-V916 VanDerWaalsContact CB-CG2 3.49Å; V916-Q918 VanDerWaalsContact C-N 3.28Å; V916-Q918 PolarHBondContact O-N 3.43Å | ||
| 917 | S | 60.9 | Low | 56.4 | Low | 79 Ų | 79 | 119.4 Ų | 119.4 | 55% | 0.552 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -10.5 | -171.3 | 64.1 | 0 | 0 | 0 | 0 | 115.5 | D915 | D915-S917 VanDerWaalsContact OD1-CB 3.25Å; D915-S917 WeakPolarHBondContact OD1-CB 3.32Å; D915-S917 PolarHBondContact OD1-N 2.99Å; D915-S917 PolarHBondContact OD1-OG 3.39Å; D915-S917 PolarHBondContact OD2-OG 2.79Å |
| 918 | Q | 53 | Low | 54.6 | Low | 173 Ų | 173 | 122 Ų | 122 | 81% | 0.808 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 4.5 | -169.5 | -62.3 | -167.8 | -3.6 | 0 | 0 | 116.3 | V916 | V916-Q918 VanDerWaalsContact C-N 3.28Å; V916-Q918 PolarHBondContact O-N 3.43Å |
| 919 | Q | 47.7 | Very low | 52.6 | Low | 182 Ų | 182 | 124.3 Ų | 124.3 | 85% | 0.85 | 70% | 0.699 | S | S | * | * | trans | -104.2 | 45.3 | -170.8 | -109.7 | -175.6 | 7.4 | 0 | 0 | 116.3 | ||||
| 920 | M | 34.7 | Very low | 50.3 | Low | 179 Ų | 179 | 123.7 Ų | 123.7 | 88% | 0.882 | 71% | 0.709 | S | S | * | * | trans | -135.8 | 97.1 | 167.5 | -86.1 | -83.2 | -161.7 | 0 | 0 | 110.6 | ||||
| 921 | C | 30.1 | Very low | 48.3 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 90% | 0.899 | 73% | 0.732 | S | S | * | * | trans | 176 | 101.2 | 148.2 | -103.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 922 | V | 34.8 | Very low | 45.8 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 92% | 0.915 | 75% | 0.747 | S | S | * | * | trans | -137.5 | 101 | 146.7 | -176.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 923 | G | 31.3 | Very low | 43.4 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -82.8 | 143.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 924 | Y | 29 | Very low | 41 | Very low | 240 Ų | 240 | 145.2 Ų | 145.2 | 94% | 0.941 | 78% | 0.781 | S | S | * | * | trans | -105.4 | 120.6 | 162.6 | -123.1 | -96.1 | 0 | 0 | 0 | 109.1 | ||||
| 925 | K | 35.4 | Very low | 38.6 | Very low | 197 Ų | 197 | 152.4 Ų | 152.4 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | -74.7 | 142 | 173.4 | -78.2 | 175.7 | 172 | 173.4 | 0 | 109.9 | ||||
| 926 | E | 30.5 | Very low | 36.2 | Very low | 201 Ų | 201 | 156.4 Ų | 156.4 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | trans | -146.2 | 149.8 | 146.9 | -123.9 | 176.8 | -169 | 0 | 0 | 113.6 | ||||
| 927 | K | 30.9 | Very low | 34 | Very low | 207 Ų | 207 | 162.9 Ų | 162.9 | 90% | 0.9 | 85% | 0.851 | S | S | * | * | trans | -88.1 | 159 | -155.4 | -74.6 | 171.3 | 171.1 | 174.7 | 0 | 114.2 | ||||
| 928 | S | 31.6 | Very low | 33 | Very low | 124 Ų | 124 | 164.6 Ų | 164.6 | 87% | 0.867 | 86% | 0.86 | S | S | * | * | trans | -69.1 | 145.8 | 169.3 | 49.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 929 | G | 30.6 | Very low | 31.5 | Very low | 80 Ų | 80 | 161.8 Ų | 161.8 | 83% | 0.825 | 86% | 0.859 | S | S | * | * | trans | -179.8 | 96 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 930 | G | 29.7 | Very low | 30.4 | Very low | 73 Ų | 73 | 157.8 Ų | 157.8 | 75% | 0.753 | 86% | 0.857 | S | S | * | * | trans | 69.6 | 108.9 | 130.2 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 931 | L | 31.3 | Very low | 30.3 | Very low | 154 Ų | 154 | 158 Ų | 158 | 81% | 0.806 | 86% | 0.856 | S | S | * | * | 84.3 | 105.7 | 128.9 | -78 | 144.3 | 0 | 0 | 0 | 124.1 | |||||
| 932 | R | 30.6 | Very low | 30.2 | Very low | 235 Ų | 235 | 157.5 Ų | 157.5 | 89% | 0.887 | 85% | 0.852 | S | S | * | * | trans | 47.7 | 120.6 | 130.6 | -70.6 | -178.3 | -178.5 | 178.5 | -0.3 | 121.7 | ||||
| 933 | S | 29.3 | Very low | 29.7 | Very low | 133 Ų | 133 | 154.7 Ų | 154.7 | 93% | 0.93 | 84% | 0.839 | S | S | * | * | -165 | 158.2 | 109 | -164.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 934 | R | 30.4 | Very low | 29.4 | Very low | 224 Ų | 224 | 156.5 Ų | 156.5 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | trans | -113 | 145.7 | -159.1 | -171.9 | -173.9 | -170.4 | -175 | 4.9 | 111.1 | ||||
| 935 | K | 27.7 | Very low | 29.1 | Very low | 197 Ų | 197 | 151.7 Ų | 151.7 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | trans | 117.1 | 115.4 | 147.9 | -105.8 | 177.2 | 179.5 | -175.6 | 0 | 117 | ||||
| 936 | Q | 29.5 | Very low | 29 | Very low | 192 Ų | 192 | 153.2 Ų | 153.2 | 90% | 0.897 | 85% | 0.85 | S | S | * | * | trans | -69 | 144 | 169.9 | -69.9 | 165.1 | -46.6 | 0 | 0 | 112.3 | ||||
| 937 | Q | 25.3 | Very low | 29 | Very low | 194 Ų | 194 | 150.8 Ų | 150.8 | 91% | 0.907 | 85% | 0.846 | S | S | * | * | -155.3 | 156.5 | 126.3 | -108.3 | -170.9 | -37.3 | 0 | 0 | 110.3 | |||||
| 938 | P | 38.8 | Very low | 28.9 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 74% | 0.74 | 84% | 0.843 | S | S | * | * | trans | -106 | 157 | -149 | 39.8 | -34.7 | 0 | 0 | 0 | 113.6 | ||||
| 939 | S | 22.3 | Very low | 28.7 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 80% | 0.797 | 84% | 0.841 | S | S | * | * | trans | -161 | 139.4 | 150.7 | 60.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 940 | A | 23.6 | Very low | 28.6 | Very low | 98 Ų | 98 | 153.2 Ų | 153.2 | 81% | 0.81 | 84% | 0.842 | S | S | * | * | trans | 61.2 | 140.1 | 140.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 941 | Q | 33.4 | Very low | 28.5 | Very low | 183 Ų | 183 | 158.3 Ų | 158.3 | 86% | 0.855 | 85% | 0.848 | S | S | * | * | trans | -54.9 | 166 | 174.3 | -60.7 | -176.1 | -33.6 | 0 | 0 | 113.6 | ||||
| 942 | P | 27.6 | Very low | 28.4 | Very low | 124 Ų | 124 | 158.5 Ų | 158.5 | 81% | 0.805 | 85% | 0.851 | S | S | * | * | -143.4 | 162.1 | 99.5 | 33.5 | -16.1 | 0 | 0 | 0 | 115.7 | |||||
| 943 | S | 24.5 | Very low | 28.2 | Very low | 92 Ų | 92 | 153.1 Ų | 153.1 | 64% | 0.643 | 85% | 0.848 | S | S | * | * | trans | -66.4 | 164.6 | 170.5 | 49.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 944 | T | 26 | Very low | 28.1 | Very low | 111 Ų | 111 | 154.6 Ų | 154.6 | 68% | 0.681 | 84% | 0.842 | S | S | * | * | trans | 69.2 | 127.7 | 147.1 | 49.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 945 | C | 22.9 | Very low | 27.9 | Very low | 138 Ų | 138 | 148.8 Ų | 148.8 | 93% | 0.932 | 84% | 0.842 | S | S | * | * | -126.7 | 138.3 | 110.9 | -88.7 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 946 | I | 33.5 | Very low | 27.9 | Very low | 229 Ų | 229 | 144.5 Ų | 144.5 | 100% | 1.174 | 84% | 0.84 | S | S | * | * | trans | -75.4 | 0 | -179.9 | -67.7 | 163.5 | 0 | 0 | 0 | 110.2 |
Retrieved 946 of 946 residues in 155.3 ms
(Link to these results)