| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 75.1 | Confident | 83.6 | Confident | 112 Ų | 112 | 80.1 Ų | 80.1 | 55% | 0.552 | 41% | 0.406 | S | S | * | . | 0 | -48.3 | 0 | -172.3 | 165.9 | -172.3 | 0 | 0 | 110.1 | I24 T68 L69 | M1-I24 HydrophobicContact CE-CB 3.87Å; M1-I24 HydrophobicContact CE-CG2 3.32Å; M1-I24 HydrophobicContact SD-CB 4.17Å; M1-I24 HydrophobicContact SD-CG2 4.23Å; M1-T68 PolarHBondContact N-O 3.37Å; M1-L69 PolarHBondContact N-O 3.42Å | |||
| 2 | F | 81.4 | Confident | 84 | Confident | 31 Ų | 31 | 77.3 Ų | 77.3 | 14% | 0.136 | 40% | 0.399 | C | S | . | . | trans | -101.9 | 5.6 | 179.8 | -63.1 | -79.1 | 0 | 0 | 0 | 113.7 | N4 T5 Q7 L11 V13 I24 L69 I71 | F2-N4 PolarHBondContact O-N 3.12Å; F2-N4 VanDerWaalsContact O-N 3.12Å; F2-T5 VanDerWaalsContact CA-OG1 3.28Å; F2-T5 WeakPolarHBondContact CA-OG1 3.33Å; F2-T5 WeakPolarHBondContact CB-OG1 3.24Å; F2-T5 HydrophobicContact CD1-CG2 4.31Å; F2-T5 PolarHBondContact O-N 2.95Å; F2-T5 VanDerWaalsContact O-N 3.08Å; F2-T5 PolarHBondContact O-OG1 2.92Å; F2-Q7 PolarHBondContact O-NE2 2.81Å; F2-L11 HydrophobicContact CB-CD2 4.39Å; F2-L11 HydrophobicContact CD1-CD1 4.22Å; F2-L11 HydrophobicContact CD1-CD2 4.3Å; F2-L11 HydrophobicContact CE1-CD1 4.37Å; F2-L11 HydrophobicContact CG-CD2 4.25Å; F2-V13 HydrophobicContact CE2-CG1 4.5Å; F2-I24 HydrophobicContact CE2-CD1 4.06Å; F2-I24 HydrophobicContact CZ-CD1 3.95Å; F2-L69 HydrophobicContact CD2-CD2 3.7Å; F2-L69 HydrophobicContact CE2-CD2 3.58Å; F2-L69 PolarHBondContact N-O 3.08Å; F2-I71 HydrophobicContact CB-CG1 4.11Å; F2-I71 HydrophobicContact CD2-CD1 4.18Å; F2-I71 HydrophobicContact CD2-CG1 4.15Å; F2-I71 HydrophobicContact CG-CG1 4.36Å | ||
| 3 | K | 78 | Confident | 84.4 | Confident | 141 Ų | 141 | 72 Ų | 72 | 61% | 0.613 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -32.9 | -176.2 | -170.3 | 173.6 | -178.7 | 176.6 | 0 | 113.8 | ||
| 4 | N | 79.7 | Confident | 84.7 | Confident | 160 Ų | 160 | 67 Ų | 67 | 86% | 0.856 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 4.6 | -178.7 | -60.3 | -12.3 | 0 | 0 | 0 | 113 | F2 | F2-N4 PolarHBondContact O-N 3.12Å; F2-N4 VanDerWaalsContact O-N 3.12Å |
| 5 | T | 83 | Confident | 85.1 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 39% | 0.387 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -89.5 | 150.4 | 176.2 | 57.1 | 0 | 0 | 0 | 0 | 109.5 | F2 Q7 | F2-T5 VanDerWaalsContact CA-OG1 3.28Å; F2-T5 WeakPolarHBondContact CA-OG1 3.33Å; F2-T5 WeakPolarHBondContact CB-OG1 3.24Å; F2-T5 HydrophobicContact CD1-CG2 4.31Å; F2-T5 PolarHBondContact O-N 2.95Å; F2-T5 VanDerWaalsContact O-N 3.08Å; F2-T5 PolarHBondContact O-OG1 2.92Å; T5-Q7 WeakPolarHBondContact O-CG 3.48Å; T5-Q7 PolarHBondContact O-N 2.98Å |
| 6 | F | 82.2 | Confident | 85.2 | Confident | 182 Ų | 182 | 62.9 Ų | 62.9 | 80% | 0.798 | 32% | 0.32 | S | S | * | . | trans | -61.5 | 128.2 | 171 | -174.3 | -107.2 | 0 | 0 | 0 | 109.9 | S8 | F6-S8 VanDerWaalsContact CZ-CB 3.4Š| ||
| 7 | Q | 85.4 | Confident | 85.2 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 18% | 0.178 | 32% | 0.324 | C | S | . | . | trans | -127.1 | 91.6 | -179.1 | -60.1 | -177.9 | 36.4 | 0 | 0 | 108.5 | F2 T5 L11 G70 I71 L73 | F2-Q7 PolarHBondContact O-NE2 2.81Å; T5-Q7 WeakPolarHBondContact O-CG 3.48Å; T5-Q7 PolarHBondContact O-N 2.98Å; Q7-L11 HydrophobicContact CG-CD2 4.3Å; Q7-G70 PolarHBondContact NE2-O 3.15Å; Q7-I71 VanDerWaalsContact OE1-CA 3.25Å; Q7-L73 HydrophobicContact CB-CG 4.32Å | ||
| 8 | S | 85.3 | Confident | 85.1 | Confident | 66 Ų | 66 | 61.6 Ų | 61.6 | 46% | 0.462 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -144.9 | 145.8 | 177.7 | -168.7 | 0 | 0 | 0 | 0 | 109.4 | F6 F10 | F6-S8 VanDerWaalsContact CZ-CB 3.4Å; S8-F10 PolarHBondContact O-N 3.3Å |
| 9 | G | 89.3 | Confident | 84.9 | Confident | 13 Ų | 13 | 64.2 Ų | 64.2 | 13% | 0.134 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 69.1 | -92.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S197 D198 | G9-S197 VanDerWaalsContact O-CA 3.24Å; G9-S197 WeakPolarHBondContact O-CA 3.48Å; G9-D198 WeakPolarHBondContact CA-OD2 3.33Å; G9-D198 PolarHBondContact N-OD2 2.86Å; G9-D198 PolarHBondContact O-N 2.98Å |
| 10 | F | 89.3 | Confident | 84.9 | Confident | 51 Ų | 51 | 68.5 Ų | 68.5 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 140.4 | -173.8 | -52.5 | -83.5 | 0 | 0 | 0 | 112.2 | S8 Y195 F196 Y201 L206 P207 F210 | S8-F10 PolarHBondContact O-N 3.3Å; F10-Y195 HydrophobicContact CD1-CD2 4.1Å; F10-Y195 AromaticContact CD1-CE2 3.93Å; F10-Y195 HydrophobicContact CD1-CE2 3.93Å; F10-Y195 HydrophobicContact CE1-CE2 4.34Å; F10-F196 CarbonylContact C-O 3.59Å; F10-F196 WeakPolarHBondContact CA-O 3.24Å; F10-Y201 HydrophobicContact CD1-CD2 4.38Å; F10-Y201 HydrophobicContact CD1-CE2 4.33Å; F10-Y201 HydrophobicContact CE1-CD1 4.36Å; F10-Y201 AromaticContact CE1-CD2 3.32Å; F10-Y201 HydrophobicContact CE1-CD2 3.32Å; F10-Y201 AromaticContact CE1-CE2 3.54Å; F10-Y201 HydrophobicContact CE1-CE2 3.54Å; F10-Y201 AromaticContact CE1-CG 3.79Å; F10-Y201 HydrophobicContact CE1-CG 3.79Å; F10-Y201 HydrophobicContact CE2-CD1 4.49Å; F10-Y201 HydrophobicContact CE2-CE1 4.17Å; F10-Y201 HydrophobicContact CE2-CE2 4.3Å; F10-Y201 AromaticContact CZ-CD1 3.65Å; F10-Y201 HydrophobicContact CZ-CD1 3.65Å; F10-Y201 AromaticContact CZ-CD2 3.45Å; F10-Y201 HydrophobicContact CZ-CD2 3.45Å; F10-Y201 VanDerWaalsContact CZ-CD2 3.45Å; F10-Y201 AromaticContact CZ-CE1 3.69Å; F10-Y201 HydrophobicContact CZ-CE1 3.69Å; F10-Y201 AromaticContact CZ-CE2 3.52Å; F10-Y201 HydrophobicContact CZ-CE2 3.52Å; F10-Y201 AromaticContact CZ-CG 3.53Å; F10-Y201 HydrophobicContact CZ-CG 3.53Å; F10-Y201 AromaticContact CZ-CZ 3.65Å; F10-L206 HydrophobicContact CE1-CD2 3.73Å; F10-L206 HydrophobicContact CZ-CD2 3.99Å; F10-P207 HydrophobicContact CE2-CG 4.3Å; F10-F210 HydrophobicContact CB-CE1 3.87Å; F10-F210 HydrophobicContact CB-CE2 4.37Å; F10-F210 HydrophobicContact CB-CZ 3.69Å; F10-F210 HydrophobicContact CD1-CD1 4.39Å; F10-F210 HydrophobicContact CD1-CE1 4.34Å; F10-F210 HydrophobicContact CG-CE1 4.23Å; F10-F210 HydrophobicContact CG-CE2 4.44Å; F10-F210 HydrophobicContact CG-CZ 4.14Å |
| 11 | L | 90.7 | Very high | 84.8 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 13% | 0.126 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 103.9 | 172 | -176 | 68.1 | 0 | 0 | 0 | 110.2 | F2 Q7 I71 L73 Y195 F196 | F2-L11 HydrophobicContact CB-CD2 4.39Å; F2-L11 HydrophobicContact CD1-CD1 4.22Å; F2-L11 HydrophobicContact CD1-CD2 4.3Å; F2-L11 HydrophobicContact CE1-CD1 4.37Å; F2-L11 HydrophobicContact CG-CD2 4.25Å; Q7-L11 HydrophobicContact CG-CD2 4.3Å; L11-I71 HydrophobicContact CD2-CB 4.42Å; L11-I71 HydrophobicContact CD2-CD1 3.74Å; L11-I71 HydrophobicContact CD2-CG1 3.63Å; L11-I71 HydrophobicContact CD2-CG2 4.02Å; L11-L73 HydrophobicContact CB-CD1 3.6Å; L11-Y195 CarbonylContact O-C 3.53Å; L11-Y195 VanDerWaalsContact O-CA 3.25Å; L11-Y195 WeakPolarHBondContact O-CA 3.06Å; L11-Y195 WeakPolarHBondContact O-CB 3.07Å; L11-F196 HydrophobicContact CB-CB 4.48Å; L11-F196 PolarHBondContact N-O 2.79Å; L11-F196 PolarHBondContact O-N 3.31Å |
| 12 | S | 88.9 | Confident | 85.3 | Confident | 47 Ų | 47 | 62.2 Ų | 62.2 | 33% | 0.329 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 129.4 | 177 | -169.1 | 0 | 0 | 0 | 0 | 111.3 | L14 | S12-L14 PolarHBondContact OG-O 2.92Å |
| 13 | V | 89.4 | Confident | 85.5 | Confident | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.048 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -21.1 | 175.3 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | F2 I24 W25 I71 V194 F196 | F2-V13 HydrophobicContact CE2-CG1 4.5Å; V13-I24 HydrophobicContact CB-CD1 4.28Å; V13-I24 WeakPolarHBondContact O-CD1 3.33Å; V13-W25 HydrophobicContact CB-CZ2 4.37Å; V13-W25 HydrophobicContact CG2-CZ2 4.01Å; V13-W25 PolarHBondContact O-NE1 3.06Å; V13-I71 HydrophobicContact CG1-CD1 3.72Å; V13-V194 HydrophobicContact CG2-CB 3.87Å; V13-V194 HydrophobicContact CG2-CG1 3.53Å; V13-V194 VanDerWaalsContact CG2-O 3.25Å; V13-V194 WeakPolarHBondContact CG2-O 3.5Å; V13-V194 PolarHBondContact N-O 2.82Å; V13-F196 HydrophobicContact CG1-CD2 4.12Å; V13-F196 HydrophobicContact CG1-CE2 3.95Å; V13-F196 HydrophobicContact CG2-CD2 4.42Å; V13-F196 HydrophobicContact CG2-CE2 4.04Å |
| 14 | L | 88.8 | Confident | 85.8 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 130.1 | 173.4 | -175.9 | 153.1 | 0 | 0 | 0 | 109.3 | S12 L22 W25 L47 I59 I191 R193 V194 | S12-L14 PolarHBondContact OG-O 2.92Å; L14-L22 HydrophobicContact CD1-CD2 4.13Å; L14-W25 HydrophobicContact CB-CZ2 3.86Å; L14-W25 HydrophobicContact CD1-CD2 4.34Å; L14-W25 HydrophobicContact CD1-CZ2 4.1Å; L14-L47 HydrophobicContact CD1-CD2 4.12Å; L14-I59 HydrophobicContact CD1-CD1 3.8Å; L14-I191 HydrophobicContact CD2-CG2 3.77Å; L14-R193 CarbonylContact O-C 3.56Å; L14-R193 VanDerWaalsContact O-CA 3.27Å; L14-R193 WeakPolarHBondContact O-CA 3.23Å; L14-R193 WeakPolarHBondContact O-CG 2.68Å; L14-V194 HydrophobicContact CB-CB 3.98Å; L14-V194 HydrophobicContact CB-CG2 4.2Å; L14-V194 PolarHBondContact N-O 2.83Å; L14-V194 PolarHBondContact O-N 2.97Å |
| 15 | Y | 89.9 | Confident | 86.1 | Confident | 68 Ų | 68 | 55.5 Ų | 55.5 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 116.3 | 171.4 | 179.7 | -141.3 | 0 | 0 | 0 | 110.8 | I17 G18 P21 R193 | Y15-I17 VanDerWaalsContact C-N 3.3Å; Y15-I17 HydrophobicContact CD1-CB 4.42Å; Y15-I17 HydrophobicContact CD2-CG1 4.47Å; Y15-I17 HydrophobicContact CE1-CB 3.83Å; Y15-I17 HydrophobicContact CE1-CG1 4.48Å; Y15-I17 HydrophobicContact CE2-CB 3.94Å; Y15-I17 HydrophobicContact CE2-CD1 3.91Å; Y15-I17 HydrophobicContact CE2-CG1 3.7Å; Y15-I17 PolarHBondContact O-N 2.74Å; Y15-I17 WeakPolarHBondContact OH-CD1 3.28Å; Y15-G18 PolarHBondContact O-N 2.91Å; Y15-P21 VanDerWaalsContact O-CB 3.26Å; Y15-P21 WeakPolarHBondContact O-CB 3.39Å; Y15-R193 HydrophobicContact CD2-CG 4.46Å |
| 16 | S | 86.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.7 | -170.2 | 57.7 | 0 | 0 | 0 | 0 | 115.1 | R36 N45 R192 | S16-R36 PolarHBondContact O-NH1 2.69Å; S16-N45 VanDerWaalsContact CB-O 3.24Å; S16-N45 WeakPolarHBondContact CB-O 3.32Å; S16-N45 PolarHBondContact OG-O 2.91Å; S16-R192 WeakPolarHBondContact CB-O 3.11Å; S16-R192 PolarHBondContact N-O 2.8Å; S16-R192 PolarHBondContact OG-O 3.22Å |
| 17 | I | 86.1 | Confident | 86.4 | Confident | 77 Ų | 77 | 52.9 Ų | 52.9 | 40% | 0.395 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -19.9 | -178 | -49.4 | -172 | 0 | 0 | 0 | 111.9 | Y15 S44 | Y15-I17 VanDerWaalsContact C-N 3.3Å; Y15-I17 HydrophobicContact CD1-CB 4.42Å; Y15-I17 HydrophobicContact CD2-CG1 4.47Å; Y15-I17 HydrophobicContact CE1-CB 3.83Å; Y15-I17 HydrophobicContact CE1-CG1 4.48Å; Y15-I17 HydrophobicContact CE2-CB 3.94Å; Y15-I17 HydrophobicContact CE2-CD1 3.91Å; Y15-I17 HydrophobicContact CE2-CG1 3.7Å; Y15-I17 PolarHBondContact O-N 2.74Å; Y15-I17 WeakPolarHBondContact OH-CD1 3.28Å; I17-S44 WeakPolarHBondContact CD1-OG 3.31Å |
| 18 | G | 82.3 | Confident | 86.2 | Confident | 26 Ų | 26 | 55.6 Ų | 55.6 | 27% | 0.268 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -63.2 | 157.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y15 K20 R36 | Y15-G18 PolarHBondContact O-N 2.91Å; G18-K20 VanDerWaalsContact C-N 3.31Å; G18-K20 PolarHBondContact O-N 3.27Å; G18-R36 PolarHBondContact O-NH1 2.78Å |
| 19 | S | 81.4 | Confident | 86 | Confident | 110 Ų | 110 | 55.5 Ų | 55.5 | 77% | 0.769 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -57.1 | -41.5 | -179.5 | 58.8 | 0 | 0 | 0 | 0 | 112.8 | R36 | S19-R36 PolarHBondContact O-NH2 2.94Š|
| 20 | K | 85.4 | Confident | 85.4 | Confident | 151 Ų | 151 | 63 Ų | 63 | 66% | 0.657 | 31% | 0.314 | S | S | * | . | trans | -132.6 | 80.3 | 178.1 | -64.9 | -178 | -178.5 | 176 | 0 | 112 | G18 L22 Q23 | G18-K20 VanDerWaalsContact C-N 3.31Å; G18-K20 PolarHBondContact O-N 3.27Å; K20-L22 VanDerWaalsContact C-N 3.26Å; K20-L22 PolarHBondContact O-N 3.44Å; K20-Q23 HydrophobicContact CB-CB 4.11Å; K20-Q23 WeakPolarHBondContact O-CB 3.15Å; K20-Q23 PolarHBondContact O-N 3.36Å | ||
| 21 | P | 83.3 | Confident | 84.8 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -25.8 | -173 | 29.3 | -35.8 | 0 | 0 | 0 | 113.2 | Y15 R36 | Y15-P21 VanDerWaalsContact O-CB 3.26Å; Y15-P21 WeakPolarHBondContact O-CB 3.39Å; P21-R36 VanDerWaalsContact CG-CZ 3.43Å |
| 22 | L | 84.9 | Confident | 84.2 | Confident | 35 Ų | 35 | 66.6 Ų | 66.6 | 18% | 0.183 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 19 | -179.4 | -64.7 | 177.4 | 0 | 0 | 0 | 112.7 | L14 K20 I24 W25 I34 L47 I59 | L14-L22 HydrophobicContact CD1-CD2 4.13Å; K20-L22 VanDerWaalsContact C-N 3.26Å; K20-L22 PolarHBondContact O-N 3.44Å; L22-I24 PolarHBondContact O-N 3.28Å; L22-I24 VanDerWaalsContact O-N 3.16Å; L22-W25 HydrophobicContact CB-CB 4.16Å; L22-W25 HydrophobicContact CD2-CB 3.7Å; L22-W25 HydrophobicContact CD2-CD2 4.49Å; L22-W25 HydrophobicContact CD2-CG 3.87Å; L22-W25 PolarHBondContact O-N 2.93Å; L22-W25 VanDerWaalsContact O-N 3.07Å; L22-W25 VanDerWaalsContact O-O 3.07Å; L22-I34 HydrophobicContact CD1-CG2 3.95Å; L22-L47 HydrophobicContact CD1-CD1 4.25Å; L22-L47 HydrophobicContact CD1-CD2 4.18Å; L22-L47 HydrophobicContact CD2-CD2 3.72Å; L22-L47 HydrophobicContact CG-CD2 4.14Å; L22-I59 HydrophobicContact CD2-CD1 4.26Å; L22-I59 HydrophobicContact CD2-CG2 4.31Å |
| 23 | Q | 84.6 | Confident | 84 | Confident | 151 Ų | 151 | 67.3 Ų | 67.3 | 71% | 0.706 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -36.4 | -177.1 | 178.1 | 175.7 | -17.7 | 0 | 0 | 113.2 | K20 | K20-Q23 HydrophobicContact CB-CB 4.11Å; K20-Q23 WeakPolarHBondContact O-CB 3.15Å; K20-Q23 PolarHBondContact O-N 3.36Å |
| 24 | I | 84.8 | Confident | 83.9 | Confident | 27 Ų | 27 | 68.6 Ų | 68.6 | 14% | 0.138 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 4.6 | -177.2 | 69.8 | 171.2 | 0 | 0 | 0 | 112.7 | M1 F2 V13 L22 C61 A63 | M1-I24 HydrophobicContact CE-CB 3.87Å; M1-I24 HydrophobicContact CE-CG2 3.32Å; M1-I24 HydrophobicContact SD-CB 4.17Å; M1-I24 HydrophobicContact SD-CG2 4.23Å; F2-I24 HydrophobicContact CE2-CD1 4.06Å; F2-I24 HydrophobicContact CZ-CD1 3.95Å; V13-I24 HydrophobicContact CB-CD1 4.28Å; V13-I24 WeakPolarHBondContact O-CD1 3.33Å; L22-I24 PolarHBondContact O-N 3.28Å; L22-I24 VanDerWaalsContact O-N 3.16Å; I24-C61 PolarHBondContact O-SG 3.21Å; I24-C61 VanDerWaalsContact O-SG 3.39Å; I24-A63 PolarHBondContact O-N 3.08Å |
| 25 | W | 87.1 | Confident | 83.9 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 5% | 0.045 | 37% | 0.366 | C | S | . | . | trans | -111 | 132.4 | -174.1 | -66.2 | 77.9 | 0 | 0 | 0 | 110.3 | V13 L14 L22 I59 T60 C61 V154 | V13-W25 HydrophobicContact CB-CZ2 4.37Å; V13-W25 HydrophobicContact CG2-CZ2 4.01Å; V13-W25 PolarHBondContact O-NE1 3.06Å; L14-W25 HydrophobicContact CB-CZ2 3.86Å; L14-W25 HydrophobicContact CD1-CD2 4.34Å; L14-W25 HydrophobicContact CD1-CZ2 4.1Å; L22-W25 HydrophobicContact CB-CB 4.16Å; L22-W25 HydrophobicContact CD2-CB 3.7Å; L22-W25 HydrophobicContact CD2-CD2 4.49Å; L22-W25 HydrophobicContact CD2-CG 3.87Å; L22-W25 PolarHBondContact O-N 2.93Å; L22-W25 VanDerWaalsContact O-N 3.07Å; L22-W25 VanDerWaalsContact O-O 3.07Å; W25-I59 HydrophobicContact CD2-CD1 4.26Å; W25-I59 HydrophobicContact CE3-CB 3.83Å; W25-I59 HydrophobicContact CE3-CD1 3.66Å; W25-I59 HydrophobicContact CE3-CG1 3.73Å; W25-I59 HydrophobicContact CZ3-CB 4.42Å; W25-I59 HydrophobicContact CZ3-CD1 3.8Å; W25-I59 HydrophobicContact CZ3-CG1 3.86Å; W25-T60 CarbonylContact C-O 3.49Å; W25-T60 VanDerWaalsContact CA-O 3.22Å; W25-T60 WeakPolarHBondContact CA-O 3.36Å; W25-C61 HydrophobicContact CD2-CB 3.56Å; W25-C61 HydrophobicContact CE3-CB 3.57Å; W25-C61 HydrophobicContact CG-CB 4.21Å; W25-C61 HydrophobicContact CH2-CB 3.81Å; W25-C61 HydrophobicContact CZ2-CB 3.78Å; W25-C61 HydrophobicContact CZ3-CB 3.7Å; W25-V154 HydrophobicContact CH2-CB 4.24Å; W25-V154 HydrophobicContact CH2-CG1 3.98Å; W25-V154 HydrophobicContact CZ3-CG1 4.49Å | ||
| 26 | D | 85.4 | Confident | 83.9 | Confident | 51 Ų | 51 | 75.3 Ų | 75.3 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 140.4 | 164.2 | 178.5 | 45.1 | 0 | 0 | 0 | 108.8 | K28 I59 T60 A63 | D26-K28 VanDerWaalsContact OD2-CE 3.31Å; D26-K28 WeakPolarHBondContact OD2-CE 3.48Å; D26-I59 CarbonylContact O-C 3.49Å; D26-I59 VanDerWaalsContact O-CA 3.31Å; D26-I59 WeakPolarHBondContact O-CA 3.43Å; D26-T60 PolarHBondContact N-O 2.84Å; D26-T60 PolarHBondContact O-N 3.15Å; D26-A63 HydrophobicContact CB-CB 3.93Å; D26-A63 WeakPolarHBondContact CB-O 3.44Å |
| 27 | K | 84.9 | Confident | 84.1 | Confident | 139 Ų | 139 | 76.6 Ų | 76.6 | 60% | 0.604 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 124.1 | 179 | 61.3 | 178.9 | -176.4 | 175.8 | 0 | 108.6 | I34 I59 | K27-I34 HydrophobicContact CB-CD1 4Å; K27-I59 HydrophobicContact CB-CG2 4.46Å |
| 28 | K | 82.1 | Confident | 84.4 | Confident | 96 Ų | 96 | 76.1 Ų | 76.1 | 42% | 0.417 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129.3 | 167.7 | -61.3 | -160 | -165 | 163.4 | 0 | 108.2 | D26 T56 T57 Y58 | D26-K28 VanDerWaalsContact OD2-CE 3.31Å; D26-K28 WeakPolarHBondContact OD2-CE 3.48Å; K28-T56 CarbonylContact C-O 3.55Å; K28-T57 CarbonylContact O-C 3.49Å; K28-T57 VanDerWaalsContact O-CA 3.23Å; K28-T57 WeakPolarHBondContact O-CA 3.5Å; K28-Y58 HydrophobicContact CB-CD2 4.45Å; K28-Y58 HydrophobicContact CB-CE1 4.37Å; K28-Y58 HydrophobicContact CB-CE2 4.2Å; K28-Y58 HydrophobicContact CD-CE1 4.37Å; K28-Y58 HydrophobicContact CD-CE2 3.93Å; K28-Y58 WeakPolarHBondContact CD-OH 3.36Å; K28-Y58 HydrophobicContact CG-CE2 4.06Å; K28-Y58 PolarHBondContact N-O 3.21Å; K28-Y58 PolarHBondContact NZ-OH 3.34Å; K28-Y58 PolarHBondContact O-N 2.9Å |
| 29 | V | 81.7 | Confident | 84.8 | Confident | 64 Ų | 64 | 74.9 Ų | 74.9 | 39% | 0.388 | 38% | 0.377 | S | S | . | . | trans | -139.9 | 122.6 | -178.1 | -173.2 | 0 | 0 | 0 | 0 | 107.8 | G32 I34 T56 T57 | V29-G32 WeakPolarHBondContact CG1-O 3.43Å; V29-I34 HydrophobicContact CG2-CB 4.41Å; V29-I34 HydrophobicContact CG2-CD1 3.43Å; V29-I34 VanDerWaalsContact CG2-CD1 3.43Å; V29-I34 HydrophobicContact CG2-CG1 3.69Å; V29-T56 CarbonylContact C-O 3.58Å; V29-T56 WeakPolarHBondContact CA-O 3.43Å; V29-T56 PolarHBondContact N-O 3.1Å; V29-T57 HydrophobicContact CG1-CG2 4.27Å; V29-T57 HydrophobicContact CG2-CG2 4.42Å | ||
| 30 | R | 76.3 | Confident | 85.2 | Confident | 171 Ų | 171 | 75.9 Ų | 75.9 | 65% | 0.645 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -139.7 | 124.8 | 167.7 | -158.8 | -174.4 | 171 | -177.3 | -1.9 | 106.7 | T56 T57 | R30-T56 VanDerWaalsContact CB-CB 3.47Å; R30-T56 HydrophobicContact CB-CG2 4.18Å; R30-T56 PolarHBondContact N-O 2.78Å; R30-T56 VanDerWaalsContact N-O 3.15Å; R30-T56 PolarHBondContact O-OG1 3.21Å; R30-T57 PolarHBondContact O-OG1 2.79Å |
| 31 | N | 75.1 | Confident | 85.2 | Confident | 118 Ų | 118 | 72.8 Ų | 72.8 | 63% | 0.631 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 56 | 50.7 | -178 | -53.5 | -15.9 | 0 | 0 | 0 | 112.3 | T52 | N31-T52 WeakPolarHBondContact CB-OG1 3.43Å; N31-T52 PolarHBondContact O-N 2.7Å; N31-T52 PolarHBondContact O-OG1 2.78Å |
| 32 | G | 79.6 | Confident | 85.4 | Confident | 32 Ų | 32 | 73.2 Ų | 73.2 | 33% | 0.33 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | -174.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V29 E50 | V29-G32 WeakPolarHBondContact CG1-O 3.43Å; G32-E50 CarbonylContact C-O 3.53Å; G32-E50 WeakPolarHBondContact CA-O 3.46Å |
| 33 | H | 83.4 | Confident | 85.5 | Confident | 61 Ų | 61 | 79.7 Ų | 79.7 | 28% | 0.282 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 152.9 | 172.9 | 58.1 | -101.8 | 0 | 0 | 0 | 111.9 | K35 E48 E50 | H33-K35 VanDerWaalsContact NE2-CE 3.32Å; H33-K35 WeakPolarHBondContact NE2-CE 3.33Å; H33-E48 IonicContact NE2-OE1 3.4Å; H33-E48 PolarHBondContact NE2-OE1 2.68Å; H33-E50 IonicContact CE1-OE2 2.92Å; H33-E50 PolarHBondContact CE1-OE2 3.31Å; H33-E50 PolarHBondContact N-O 2.99Å; H33-E50 IonicContact NE2-OE2 3.1Å; H33-E50 PolarHBondContact NE2-OE2 3.02Å; H33-E50 VanDerWaalsContact NE2-OE2 3.1Å; H33-E50 PolarHBondContact O-N 2.95Å |
| 34 | I | 87.5 | Confident | 85.6 | Confident | 35 Ų | 35 | 73.4 Ų | 73.4 | 18% | 0.179 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 110.7 | 166.3 | -61.6 | 171.8 | 0 | 0 | 0 | 106.2 | L22 K27 V29 L47 E48 I49 I59 | L22-I34 HydrophobicContact CD1-CG2 3.95Å; K27-I34 HydrophobicContact CB-CD1 4Å; V29-I34 HydrophobicContact CG2-CB 4.41Å; V29-I34 HydrophobicContact CG2-CD1 3.43Å; V29-I34 VanDerWaalsContact CG2-CD1 3.43Å; V29-I34 HydrophobicContact CG2-CG1 3.69Å; I34-L47 HydrophobicContact CG2-CD1 3.77Å; I34-L47 HydrophobicContact CG2-CD2 4.3Å; I34-L47 HydrophobicContact CG2-CG 4.09Å; I34-E48 WeakPolarHBondContact CA-O 3.4Å; I34-I49 HydrophobicContact CG1-CG1 4.27Å; I34-I49 HydrophobicContact CG1-CG2 4.14Å; I34-I49 HydrophobicContact CG2-CG1 4.33Å; I34-I59 HydrophobicContact CD1-CG2 3.63Å |
| 35 | K | 89.7 | Confident | 85.9 | Confident | 97 Ų | 97 | 76 Ų | 76 | 42% | 0.422 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 157.6 | -176.8 | 70.1 | -174.3 | 178.6 | -171.4 | 0 | 110.5 | H33 V37 E48 | H33-K35 VanDerWaalsContact NE2-CE 3.32Å; H33-K35 WeakPolarHBondContact NE2-CE 3.33Å; K35-V37 HydrophobicContact CD-CG1 4.02Å; K35-V37 HydrophobicContact CG-CG1 3.77Å; K35-E48 WeakPolarHBondContact CE-OE1 3.44Å; K35-E48 HydrophobicContact CG-CB 4.46Å; K35-E48 PolarHBondContact N-O 2.88Å; K35-E48 IonicContact NZ-OE1 3.58Å; K35-E48 PolarHBondContact O-N 3.22Å |
| 36 | R | 90.1 | Very high | 86.1 | Confident | 115 Ų | 115 | 75.5 Ų | 75.5 | 43% | 0.434 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 130.4 | 169.4 | -60.3 | -170.8 | -140.4 | -178.8 | 12 | 108.4 | S16 G18 S19 P21 V46 L47 | S16-R36 PolarHBondContact O-NH1 2.69Å; G18-R36 PolarHBondContact O-NH1 2.78Å; S19-R36 PolarHBondContact O-NH2 2.94Å; P21-R36 VanDerWaalsContact CG-CZ 3.43Å; R36-V46 CarbonylContact C-O 3.48Å; R36-V46 VanDerWaalsContact CA-O 3.29Å; R36-V46 WeakPolarHBondContact CA-O 3.24Å; R36-L47 HydrophobicContact CG-CD1 4.12Å |
| 37 | V | 91.3 | Very high | 86.3 | Confident | 26 Ų | 26 | 73.2 Ų | 73.2 | 16% | 0.158 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 147.9 | 177.6 | -59.3 | 0 | 0 | 0 | 0 | 109.1 | K35 N45 V46 E48 | K35-V37 HydrophobicContact CD-CG1 4.02Å; K35-V37 HydrophobicContact CG-CG1 3.77Å; V37-N45 CarbonylContact O-C 3.6Å; V37-N45 WeakPolarHBondContact O-CA 3.26Å; V37-V46 HydrophobicContact CG2-CG2 3.6Å; V37-V46 PolarHBondContact N-O 2.88Å; V37-V46 PolarHBondContact O-N 2.83Å; V37-E48 HydrophobicContact CG1-CB 4.16Å; V37-E48 HydrophobicContact CG2-CB 3.9Å |
| 38 | A | 92.1 | Very high | 86.6 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 55% | 0.554 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 125.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||
| 39 | D | 91 | Very high | 86.7 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129.2 | 173.4 | -163.3 | -88.7 | 0 | 0 | 0 | 109.7 | D41 I42 H43 S44 V46 K81 W129 R190 | D39-D41 VanDerWaalsContact C-N 3.32Å; D39-D41 PolarHBondContact O-N 2.96Å; D39-D41 PolarHBondContact OD1-N 2.8Å; D39-I42 HydrophobicContact CB-CD1 4.46Å; D39-I42 HydrophobicContact CB-CG1 3.9Å; D39-H43 VanDerWaalsContact O-CA 3.3Å; D39-H43 WeakPolarHBondContact O-CA 3.5Å; D39-H43 PolarHBondContact O-N 3.13Å; D39-S44 PolarHBondContact N-O 3.14Å; D39-S44 PolarHBondContact O-N 3.47Å; D39-V46 HydrophobicContact CB-CG1 4.07Å; D39-V46 HydrophobicContact CB-CG2 3.89Å; D39-K81 VanDerWaalsContact CG-NZ 3.32Å; D39-K81 IonicContact OD1-NZ 2.83Å; D39-K81 PolarHBondContact OD1-NZ 2.63Å; D39-K81 VanDerWaalsContact OD2-CD 3.27Å; D39-K81 WeakPolarHBondContact OD2-CD 3.36Å; D39-K81 IonicContact OD2-NZ 2.63Å; D39-K81 PolarHBondContact OD2-NZ 2.96Å; D39-W129 HydrophobicContact CB-CZ2 4.12Å; D39-W129 PolarHBondContact OD1-NE1 2.84Å; D39-W129 VanDerWaalsContact OD1-NE1 3.11Å; D39-R190 WeakPolarHBondContact OD2-CD 3.38Å; D39-R190 IonicContact OD2-CZ 3.7Å; D39-R190 IonicContact OD2-NE 2.82Å; D39-R190 IonicContact OD2-NH1 3.27Å; D39-R190 PolarHBondContact OD2-NH1 2.69Å |
| 40 | N | 88.6 | Confident | 86.8 | Confident | 131 Ų | 131 | 61.9 Ų | 61.9 | 70% | 0.701 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -27.1 | -175.1 | -63.7 | -18.9 | 0 | 0 | 0 | 113.2 | H43 | N40-H43 PolarHBondContact O-CE1 3.07Å; N40-H43 PolarHBondContact O-ND1 2.67Å; N40-H43 PolarHBondContact O-NE2 3.44Å |
| 41 | D | 86.9 | Confident | 86.6 | Confident | 86 Ų | 86 | 53.9 Ų | 53.9 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -38.4 | -173.6 | -56.7 | -10.8 | 0 | 0 | 0 | 111.1 | D39 K81 | D39-D41 VanDerWaalsContact C-N 3.32Å; D39-D41 PolarHBondContact O-N 2.96Å; D39-D41 PolarHBondContact OD1-N 2.8Å; D41-K81 VanDerWaalsContact CG-NZ 3.3Å; D41-K81 IonicContact OD1-NZ 3.86Å; D41-K81 WeakPolarHBondContact OD2-CE 3.32Å; D41-K81 IonicContact OD2-NZ 2.9Å; D41-K81 PolarHBondContact OD2-NZ 3.22Å |
| 42 | I | 87 | Confident | 86.3 | Confident | 22 Ų | 22 | 51 Ų | 51 | 11% | 0.113 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 1.4 | -178.2 | 60.7 | 162 | 0 | 0 | 0 | 112.9 | D39 S44 V46 W129 R192 Y213 | D39-I42 HydrophobicContact CB-CD1 4.46Å; D39-I42 HydrophobicContact CB-CG1 3.9Å; I42-S44 WeakPolarHBondContact O-CB 3.18Å; I42-S44 PolarHBondContact O-N 3.2Å; I42-V46 HydrophobicContact CD1-CG1 3.55Å; I42-V46 HydrophobicContact CG1-CG1 4.47Å; I42-W129 HydrophobicContact CD1-CH2 3.99Å; I42-W129 HydrophobicContact CD1-CZ2 3.52Å; I42-W129 HydrophobicContact CG1-CZ2 3.97Å; I42-W129 HydrophobicContact CG2-CD2 4.3Å; I42-W129 HydrophobicContact CG2-CG 4.23Å; I42-R192 HydrophobicContact CD1-CG 4.47Å; I42-Y213 HydrophobicContact CG2-CE1 4.48Å |
| 43 | H | 86.1 | Confident | 85.4 | Confident | 171 Ų | 171 | 51.9 Ų | 51.9 | 79% | 0.792 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 36.6 | -178.4 | -59 | 89.2 | 0 | 0 | 0 | 114 | D39 N40 | D39-H43 VanDerWaalsContact O-CA 3.3Å; D39-H43 WeakPolarHBondContact O-CA 3.5Å; D39-H43 PolarHBondContact O-N 3.13Å; N40-H43 PolarHBondContact O-CE1 3.07Å; N40-H43 PolarHBondContact O-ND1 2.67Å; N40-H43 PolarHBondContact O-NE2 3.44Å |
| 44 | S | 87.9 | Confident | 84.1 | Confident | 20 Ų | 20 | 49.4 Ų | 49.4 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 157.3 | -172.3 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | I17 D39 I42 | I17-S44 WeakPolarHBondContact CD1-OG 3.31Å; D39-S44 PolarHBondContact N-O 3.14Å; D39-S44 PolarHBondContact O-N 3.47Å; I42-S44 WeakPolarHBondContact O-CB 3.18Å; I42-S44 PolarHBondContact O-N 3.2Å |
| 45 | N | 89.8 | Confident | 82.8 | Confident | 82 Ų | 82 | 51.7 Ų | 51.7 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 130.1 | 176.2 | -71.9 | -45.5 | 0 | 0 | 0 | 111.1 | S16 V37 | S16-N45 VanDerWaalsContact CB-O 3.24Å; S16-N45 WeakPolarHBondContact CB-O 3.32Å; S16-N45 PolarHBondContact OG-O 2.91Å; V37-N45 CarbonylContact O-C 3.6Å; V37-N45 WeakPolarHBondContact O-CA 3.26Å |
| 46 | V | 91.7 | Very high | 81.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 152.5 | 179.2 | -58 | 0 | 0 | 0 | 0 | 110.2 | R36 V37 D39 I42 E48 W129 R190 R192 | R36-V46 CarbonylContact C-O 3.48Å; R36-V46 VanDerWaalsContact CA-O 3.29Å; R36-V46 WeakPolarHBondContact CA-O 3.24Å; V37-V46 HydrophobicContact CG2-CG2 3.6Å; V37-V46 PolarHBondContact N-O 2.88Å; V37-V46 PolarHBondContact O-N 2.83Å; D39-V46 HydrophobicContact CB-CG1 4.07Å; D39-V46 HydrophobicContact CB-CG2 3.89Å; I42-V46 HydrophobicContact CD1-CG1 3.55Å; I42-V46 HydrophobicContact CG1-CG1 4.47Å; V46-E48 PolarHBondContact O-N 3.21Å; V46-W129 HydrophobicContact CB-CH2 4.1Å; V46-W129 HydrophobicContact CB-CZ2 4.47Å; V46-W129 HydrophobicContact CG1-CH2 3.48Å; V46-W129 VanDerWaalsContact CG1-CH2 3.48Å; V46-W129 HydrophobicContact CG1-CZ2 3.67Å; V46-R190 HydrophobicContact CB-CB 4.44Å; V46-R190 HydrophobicContact CG2-CB 3.93Å; V46-R190 HydrophobicContact CG2-CG 4Å; V46-R192 HydrophobicContact CG1-CB 4.34Å |
| 47 | L | 90.4 | Very high | 81.3 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 110.3 | 176.2 | -169.7 | 73.7 | 0 | 0 | 0 | 108.9 | L14 L22 I34 R36 I49 I59 R190 I191 | L14-L47 HydrophobicContact CD1-CD2 4.12Å; L22-L47 HydrophobicContact CD1-CD1 4.25Å; L22-L47 HydrophobicContact CD1-CD2 4.18Å; L22-L47 HydrophobicContact CD2-CD2 3.72Å; L22-L47 HydrophobicContact CG-CD2 4.14Å; I34-L47 HydrophobicContact CG2-CD1 3.77Å; I34-L47 HydrophobicContact CG2-CD2 4.3Å; I34-L47 HydrophobicContact CG2-CG 4.09Å; R36-L47 HydrophobicContact CG-CD1 4.12Å; L47-I49 HydrophobicContact CD2-CD1 4.45Å; L47-I49 HydrophobicContact CD2-CG1 4.45Å; L47-I49 HydrophobicContact CG-CG1 4.5Å; L47-I59 HydrophobicContact CD2-CD1 4.4Å; L47-R190 CarbonylContact O-C 3.56Å; L47-R190 WeakPolarHBondContact O-CA 2.91Å; L47-I191 WeakPolarHBondContact CB-O 2.74Å; L47-I191 PolarHBondContact N-O 3.15Å; L47-I191 PolarHBondContact O-N 3.03Å |
| 48 | E | 89.8 | Confident | 80.9 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125.8 | 173.2 | -173.7 | 171.7 | 82.7 | 0 | 0 | 109.6 | H33 I34 K35 V37 V46 R190 | H33-E48 IonicContact NE2-OE1 3.4Å; H33-E48 PolarHBondContact NE2-OE1 2.68Å; I34-E48 WeakPolarHBondContact CA-O 3.4Å; K35-E48 WeakPolarHBondContact CE-OE1 3.44Å; K35-E48 HydrophobicContact CG-CB 4.46Å; K35-E48 PolarHBondContact N-O 2.88Å; K35-E48 IonicContact NZ-OE1 3.58Å; K35-E48 PolarHBondContact O-N 3.22Å; V37-E48 HydrophobicContact CG1-CB 4.16Å; V37-E48 HydrophobicContact CG2-CB 3.9Å; V46-E48 PolarHBondContact O-N 3.21Å; E48-R190 HydrophobicContact CB-CG 4.11Å; E48-R190 HydrophobicContact CG-CG 4.13Å; E48-R190 IonicContact OE2-CZ 3.42Å; E48-R190 VanDerWaalsContact OE2-CZ 3.27Å; E48-R190 IonicContact OE2-NE 2.7Å; E48-R190 PolarHBondContact OE2-NE 3.45Å; E48-R190 IonicContact OE2-NH2 3.15Å; E48-R190 PolarHBondContact OE2-NH2 3.21Å |
| 49 | I | 85.4 | Confident | 80.6 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 112.5 | 173.2 | -55.5 | 175.1 | 0 | 0 | 0 | 106.3 | I34 L47 T57 I59 N188 C189 I191 | I34-I49 HydrophobicContact CG1-CG1 4.27Å; I34-I49 HydrophobicContact CG1-CG2 4.14Å; I34-I49 HydrophobicContact CG2-CG1 4.33Å; L47-I49 HydrophobicContact CD2-CD1 4.45Å; L47-I49 HydrophobicContact CD2-CG1 4.45Å; L47-I49 HydrophobicContact CG-CG1 4.5Å; I49-T57 HydrophobicContact CG2-CG2 4.08Å; I49-I59 HydrophobicContact CD1-CD1 3.68Å; I49-I59 HydrophobicContact CD1-CG1 3.83Å; I49-I59 HydrophobicContact CD1-CG2 4.11Å; I49-N188 WeakPolarHBondContact O-CA 3.37Å; I49-C189 PolarHBondContact N-O 3.45Å; I49-C189 PolarHBondContact O-N 3.02Å; I49-I191 HydrophobicContact CD1-CD1 3.75Å |
| 50 | E | 82.3 | Confident | 80.4 | Confident | 48 Ų | 48 | 40.6 Ų | 40.6 | 22% | 0.224 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 133.9 | 178.9 | 174.7 | 158.1 | -145.2 | 0 | 0 | 110 | G32 H33 K85 A187 N188 | G32-E50 CarbonylContact C-O 3.53Å; G32-E50 WeakPolarHBondContact CA-O 3.46Å; H33-E50 IonicContact CE1-OE2 2.92Å; H33-E50 PolarHBondContact CE1-OE2 3.31Å; H33-E50 PolarHBondContact N-O 2.99Å; H33-E50 IonicContact NE2-OE2 3.1Å; H33-E50 PolarHBondContact NE2-OE2 3.02Å; H33-E50 VanDerWaalsContact NE2-OE2 3.1Å; H33-E50 PolarHBondContact O-N 2.95Å; E50-K85 IonicContact OE1-NZ 3.89Å; E50-A187 CarbonylContact C-O 3.51Å; E50-A187 VanDerWaalsContact CA-O 3.31Å; E50-A187 WeakPolarHBondContact CA-O 3.25Å; E50-N188 WeakPolarHBondContact CG-OD1 3.38Å; E50-N188 PolarHBondContact OE1-ND2 3.32Å; E50-N188 PolarHBondContact OE1-OD1 3.24Å |
| 51 | G | 73.4 | Confident | 80.3 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 160 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A187 | G51-A187 PolarHBondContact N-O 2.81Å; G51-A187 WeakPolarHBondContact O-CB 3.45Å; G51-A187 PolarHBondContact O-N 2.96Å |
| 52 | T | 67.4 | Low | 80.3 | Confident | 59 Ų | 59 | 30.4 Ų | 30.4 | 36% | 0.362 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -89.2 | -26.8 | 170.1 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | N31 | N31-T52 WeakPolarHBondContact CB-OG1 3.43Å; N31-T52 PolarHBondContact O-N 2.7Å; N31-T52 PolarHBondContact O-OG1 2.78Å |
| 53 | N | 61.3 | Low | 80 | Confident | 50 Ų | 50 | 31.3 Ų | 31.3 | 27% | 0.267 | 18% | 0.176 | S | C | . | . | trans | -138.8 | 152.6 | 174.9 | -159.1 | -28.8 | 0 | 0 | 0 | 110.3 | S55 T56 T57 | N53-S55 PolarHBondContact OD1-N 3Å; N53-S55 PolarHBondContact OD1-OG 2.87Å; N53-T56 PolarHBondContact O-OG1 3Å; N53-T57 PolarHBondContact O-N 2.82Å; N53-T57 PolarHBondContact O-OG1 3.11Å | ||
| 54 | V | 57 | Low | 79.8 | Confident | 8 Ų | 8 | 26 Ų | 26 | 5% | 0.048 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -110.1 | -33.7 | -155.5 | 164.3 | 0 | 0 | 0 | 0 | 112 | T56 T158 P159 A187 | V54-T56 PolarHBondContact O-N 3.18Å; V54-T158 WeakPolarHBondContact CG1-O 3.47Å; V54-T158 WeakPolarHBondContact CG2-OG1 3.08Å; V54-P159 VanDerWaalsContact CB-C 3.45Å; V54-P159 WeakPolarHBondContact CB-O 3.22Å; V54-P159 WeakPolarHBondContact CG1-O 3.26Å; V54-P159 VanDerWaalsContact CG2-C 3.43Å; V54-P159 WeakPolarHBondContact CG2-O 3.35Å; V54-A187 HydrophobicContact CG2-CB 3.93Å |
| 55 | S | 60.6 | Low | 79.4 | Confident | 83 Ų | 83 | 30 Ų | 30 | 58% | 0.58 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -60.1 | -12.8 | 165.4 | 57.3 | 0 | 0 | 0 | 0 | 111 | N53 Y58 | N53-S55 PolarHBondContact OD1-N 3Å; N53-S55 PolarHBondContact OD1-OG 2.87Å; S55-Y58 WeakPolarHBondContact O-CE1 3.12Å |
| 56 | T | 69.6 | Low | 79.1 | Confident | 24 Ų | 24 | 35.4 Ų | 35.4 | 15% | 0.147 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -119 | -18 | -172.8 | 70 | 0 | 0 | 0 | 0 | 115.6 | K28 V29 R30 N53 V54 | K28-T56 CarbonylContact C-O 3.55Å; V29-T56 CarbonylContact C-O 3.58Å; V29-T56 WeakPolarHBondContact CA-O 3.43Å; V29-T56 PolarHBondContact N-O 3.1Å; R30-T56 VanDerWaalsContact CB-CB 3.47Å; R30-T56 HydrophobicContact CB-CG2 4.18Å; R30-T56 PolarHBondContact N-O 2.78Å; R30-T56 VanDerWaalsContact N-O 3.15Å; R30-T56 PolarHBondContact O-OG1 3.21Å; N53-T56 PolarHBondContact O-OG1 3Å; V54-T56 PolarHBondContact O-N 3.18Å |
| 57 | T | 78.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -124.9 | 102.6 | 178.3 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | K28 V29 R30 I49 N53 | K28-T57 CarbonylContact O-C 3.49Å; K28-T57 VanDerWaalsContact O-CA 3.23Å; K28-T57 WeakPolarHBondContact O-CA 3.5Å; V29-T57 HydrophobicContact CG1-CG2 4.27Å; V29-T57 HydrophobicContact CG2-CG2 4.42Å; R30-T57 PolarHBondContact O-OG1 2.79Å; I49-T57 HydrophobicContact CG2-CG2 4.08Å; N53-T57 PolarHBondContact O-N 2.82Å; N53-T57 PolarHBondContact O-OG1 3.11Å |
| 58 | Y | 81.7 | Confident | 78.8 | Confident | 37 Ų | 37 | 43.9 Ų | 43.9 | 15% | 0.145 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 161.2 | 179.7 | 58.6 | -101 | 0 | 0 | 0 | 111.8 | K28 S55 T60 Q155 A156 | K28-Y58 HydrophobicContact CB-CD2 4.45Å; K28-Y58 HydrophobicContact CB-CE1 4.37Å; K28-Y58 HydrophobicContact CB-CE2 4.2Å; K28-Y58 HydrophobicContact CD-CE1 4.37Å; K28-Y58 HydrophobicContact CD-CE2 3.93Å; K28-Y58 WeakPolarHBondContact CD-OH 3.36Å; K28-Y58 HydrophobicContact CG-CE2 4.06Å; K28-Y58 PolarHBondContact N-O 3.21Å; K28-Y58 PolarHBondContact NZ-OH 3.34Å; K28-Y58 PolarHBondContact O-N 2.9Å; S55-Y58 WeakPolarHBondContact O-CE1 3.12Å; Y58-T60 HydrophobicContact CD2-CG2 3.44Å; Y58-T60 VanDerWaalsContact CD2-CG2 3.44Å; Y58-T60 HydrophobicContact CE2-CG2 3.46Å; Y58-T60 VanDerWaalsContact CE2-CG2 3.46Å; Y58-Q155 HydrophobicContact CD2-CG 4.49Å; Y58-A156 WeakPolarHBondContact CB-O 3.38Å |
| 59 | I | 87.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 139.5 | 169.1 | 59.7 | 171 | 0 | 0 | 0 | 109.8 | L14 L22 W25 D26 K27 I34 L47 I49 Q155 A156 I191 | L14-I59 HydrophobicContact CD1-CD1 3.8Å; L22-I59 HydrophobicContact CD2-CD1 4.26Å; L22-I59 HydrophobicContact CD2-CG2 4.31Å; W25-I59 HydrophobicContact CD2-CD1 4.26Å; W25-I59 HydrophobicContact CE3-CB 3.83Å; W25-I59 HydrophobicContact CE3-CD1 3.66Å; W25-I59 HydrophobicContact CE3-CG1 3.73Å; W25-I59 HydrophobicContact CZ3-CB 4.42Å; W25-I59 HydrophobicContact CZ3-CD1 3.8Å; W25-I59 HydrophobicContact CZ3-CG1 3.86Å; D26-I59 CarbonylContact O-C 3.49Å; D26-I59 VanDerWaalsContact O-CA 3.31Å; D26-I59 WeakPolarHBondContact O-CA 3.43Å; K27-I59 HydrophobicContact CB-CG2 4.46Å; I34-I59 HydrophobicContact CD1-CG2 3.63Å; L47-I59 HydrophobicContact CD2-CD1 4.4Å; I49-I59 HydrophobicContact CD1-CD1 3.68Å; I49-I59 HydrophobicContact CD1-CG1 3.83Å; I49-I59 HydrophobicContact CD1-CG2 4.11Å; I59-Q155 WeakPolarHBondContact O-CA 3.39Å; I59-A156 HydrophobicContact CD1-CB 4.47Å; I59-A156 HydrophobicContact CG1-CB 4.04Å; I59-A156 PolarHBondContact N-O 2.85Å; I59-A156 VanDerWaalsContact N-O 3.14Å; I59-A156 PolarHBondContact O-N 2.81Å; I59-A156 VanDerWaalsContact O-N 3.09Å; I59-I191 HydrophobicContact CD1-CD1 4.25Å |
| 60 | T | 86.8 | Confident | 78.9 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 141.7 | 175.7 | 68.9 | 0 | 0 | 0 | 0 | 111.7 | W25 D26 Y58 Q155 | W25-T60 CarbonylContact C-O 3.49Å; W25-T60 VanDerWaalsContact CA-O 3.22Å; W25-T60 WeakPolarHBondContact CA-O 3.36Å; D26-T60 PolarHBondContact N-O 2.84Å; D26-T60 PolarHBondContact O-N 3.15Å; Y58-T60 HydrophobicContact CD2-CG2 3.44Å; Y58-T60 VanDerWaalsContact CD2-CG2 3.44Å; Y58-T60 HydrophobicContact CE2-CG2 3.46Å; Y58-T60 VanDerWaalsContact CE2-CG2 3.46Å; T60-Q155 HydrophobicContact CG2-CB 4.01Å; T60-Q155 HydrophobicContact CG2-CG 3.81Å |
| 61 | C | 86.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 124.9 | 174.2 | -164.4 | 0 | 0 | 0 | 0 | 109.5 | I24 W25 R153 V154 | I24-C61 PolarHBondContact O-SG 3.21Å; I24-C61 VanDerWaalsContact O-SG 3.39Å; W25-C61 HydrophobicContact CD2-CB 3.56Å; W25-C61 HydrophobicContact CE3-CB 3.57Å; W25-C61 HydrophobicContact CG-CB 4.21Å; W25-C61 HydrophobicContact CH2-CB 3.81Å; W25-C61 HydrophobicContact CZ2-CB 3.78Å; W25-C61 HydrophobicContact CZ3-CB 3.7Å; C61-R153 CarbonylContact O-C 3.57Å; C61-R153 VanDerWaalsContact O-CA 3.28Å; C61-R153 WeakPolarHBondContact O-CA 3.27Å; C61-R153 VanDerWaalsContact O-CG 3.31Å; C61-R153 WeakPolarHBondContact O-CG 3.5Å; C61-V154 PolarHBondContact N-O 2.87Å; C61-V154 PolarHBondContact O-N 2.71Å |
| 62 | P | 87.1 | Confident | 80.3 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.019 | 25% | 0.251 | C | S | . | . | S | Bend | cis | -80.6 | 158.2 | 5.9 | 32.6 | -31.8 | 0 | 0 | 0 | 112.8 | D64 K67 R153 | P62-D64 PolarHBondContact O-N 3.25Å; P62-K67 HydrophobicContact CB-CB 4.33Å; P62-K67 HydrophobicContact CG-CB 3.99Å; P62-K67 WeakPolarHBondContact CG-O 3.49Å; P62-R153 PolarHBondContact O-NH1 3.42Å |
| 63 | A | 79.4 | Confident | 81.5 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 35% | 0.347 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -57.6 | -35.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I24 D26 P65 | I24-A63 PolarHBondContact O-N 3.08Å; D26-A63 HydrophobicContact CB-CB 3.93Å; D26-A63 WeakPolarHBondContact CB-O 3.44Å; A63-P65 WeakPolarHBondContact O-CD 3.49Å |
| 64 | D | 82.1 | Confident | 83 | Confident | 58 Ų | 58 | 43.3 Ų | 43.3 | 31% | 0.31 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -85.5 | 122.8 | 175.4 | -175.8 | -14.5 | 0 | 0 | 0 | 110.5 | P62 K66 K67 R153 | P62-D64 PolarHBondContact O-N 3.25Å; D64-K66 PolarHBondContact O-N 3.23Å; D64-K66 WeakPolarHBondContact OD1-CB 3.35Å; D64-K66 PolarHBondContact OD1-N 3.1Å; D64-K67 HydrophobicContact CB-CB 4.09Å; D64-K67 HydrophobicContact CB-CD 3.88Å; D64-K67 HydrophobicContact CB-CG 3.88Å; D64-K67 PolarHBondContact O-N 3.21Å; D64-K67 VanDerWaalsContact O-N 3.15Å; D64-K67 WeakPolarHBondContact OD2-CE 3.5Å; D64-R153 PolarHBondContact O-NH2 3.11Å |
| 65 | P | 79.8 | Confident | 84.8 | Confident | 105 Ų | 105 | 44.2 Ų | 44.2 | 68% | 0.682 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28.5 | 175.7 | -25.2 | 35.2 | 0 | 0 | 0 | 114.4 | A63 R153 | A63-P65 WeakPolarHBondContact O-CD 3.49Å; P65-R153 PolarHBondContact O-NH2 2.98Å |
| 66 | K | 83.9 | Confident | 86.3 | Confident | 196 Ų | 196 | 40.3 Ų | 40.3 | 85% | 0.852 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -19.7 | -179.1 | -62.6 | -178.8 | 179.8 | 179.4 | 0 | 112.8 | D64 | D64-K66 PolarHBondContact O-N 3.23Å; D64-K66 WeakPolarHBondContact OD1-CB 3.35Å; D64-K66 PolarHBondContact OD1-N 3.1Å |
| 67 | K | 86.2 | Confident | 87.4 | Confident | 123 Ų | 123 | 39.3 Ų | 39.3 | 54% | 0.535 | 20% | 0.201 | S | C | . | . | trans | -88.6 | 156.5 | 179 | -66.2 | -178.4 | -173.9 | 176.2 | 0 | 110.8 | P62 D64 R153 | P62-K67 HydrophobicContact CB-CB 4.33Å; P62-K67 HydrophobicContact CG-CB 3.99Å; P62-K67 WeakPolarHBondContact CG-O 3.49Å; D64-K67 HydrophobicContact CB-CB 4.09Å; D64-K67 HydrophobicContact CB-CD 3.88Å; D64-K67 HydrophobicContact CB-CG 3.88Å; D64-K67 PolarHBondContact O-N 3.21Å; D64-K67 VanDerWaalsContact O-N 3.15Å; D64-K67 WeakPolarHBondContact OD2-CE 3.5Å; K67-R153 PolarHBondContact O-NH2 3.22Å | ||
| 68 | T | 89.1 | Confident | 88 | Confident | 58 Ų | 58 | 39.5 Ų | 39.5 | 36% | 0.356 | 20% | 0.202 | S | C | . | . | trans | -120 | 154 | 171.6 | 60.8 | 0 | 0 | 0 | 0 | 110 | M1 L152 | M1-T68 PolarHBondContact N-O 3.37Å; T68-L152 WeakPolarHBondContact CA-O 3.3Å; T68-L152 HydrophobicContact CG2-CB 4.36Å; T68-L152 HydrophobicContact CG2-CD2 4.03Å | ||
| 69 | L | 87.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -64.9 | -59.7 | 172.9 | -79.2 | 170.2 | 0 | 0 | 0 | 110.2 | M1 F2 I71 T151 L152 V154 | M1-L69 PolarHBondContact N-O 3.42Å; F2-L69 HydrophobicContact CD2-CD2 3.7Å; F2-L69 HydrophobicContact CE2-CD2 3.58Å; F2-L69 PolarHBondContact N-O 3.08Å; L69-I71 HydrophobicContact CB-CD1 4.1Å; L69-I71 HydrophobicContact CB-CG1 4.1Å; L69-I71 HydrophobicContact CD1-CD1 4.21Å; L69-I71 HydrophobicContact CD2-CD1 4.19Å; L69-I71 HydrophobicContact CG-CD1 4.4Å; L69-T151 WeakPolarHBondContact CB-O 3.34Å; L69-T151 HydrophobicContact CD1-CG2 4.48Å; L69-L152 PolarHBondContact N-O 2.78Å; L69-V154 HydrophobicContact CD1-CG2 4.04Å | ||
| 70 | G | 89.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | 76.1 | 41.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q7 E150 T151 | Q7-G70 PolarHBondContact NE2-O 3.15Å; G70-E150 WeakPolarHBondContact CA-OE2 3.47Å; G70-T151 PolarHBondContact N-O 3.15Å | ||
| 71 | I | 91.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -93.2 | 128.9 | -179.9 | -64.5 | 170.3 | 0 | 0 | 0 | 108.4 | F2 Q7 L11 V13 L69 L73 Y148 E150 T151 F196 | F2-I71 HydrophobicContact CB-CG1 4.11Å; F2-I71 HydrophobicContact CD2-CD1 4.18Å; F2-I71 HydrophobicContact CD2-CG1 4.15Å; F2-I71 HydrophobicContact CG-CG1 4.36Å; Q7-I71 VanDerWaalsContact OE1-CA 3.25Å; L11-I71 HydrophobicContact CD2-CB 4.42Å; L11-I71 HydrophobicContact CD2-CD1 3.74Å; L11-I71 HydrophobicContact CD2-CG1 3.63Å; L11-I71 HydrophobicContact CD2-CG2 4.02Å; V13-I71 HydrophobicContact CG1-CD1 3.72Å; L69-I71 HydrophobicContact CB-CD1 4.1Å; L69-I71 HydrophobicContact CB-CG1 4.1Å; L69-I71 HydrophobicContact CD1-CD1 4.21Å; L69-I71 HydrophobicContact CD2-CD1 4.19Å; L69-I71 HydrophobicContact CG-CD1 4.4Å; I71-L73 HydrophobicContact CG2-CB 3.96Å; I71-L73 HydrophobicContact CG2-CG 4.33Å; I71-Y148 PolarHBondContact O-OH 3.44Å; I71-E150 CarbonylContact O-C 3.42Å; I71-E150 WeakPolarHBondContact O-CA 3.39Å; I71-E150 VanDerWaalsContact O-CB 3.31Å; I71-E150 WeakPolarHBondContact O-CB 3.09Å; I71-T151 PolarHBondContact N-O 2.82Å; I71-T151 PolarHBondContact O-N 2.97Å; I71-F196 HydrophobicContact CD1-CD2 3.65Å; I71-F196 HydrophobicContact CD1-CE2 3.46Å; I71-F196 VanDerWaalsContact CD1-CE2 3.46Å; I71-F196 HydrophobicContact CD1-CG 4.41Å; I71-F196 HydrophobicContact CD1-CZ 4.08Å; I71-F196 HydrophobicContact CG2-CB 4Å; I71-F196 HydrophobicContact CG2-CD1 3.83Å; I71-F196 HydrophobicContact CG2-CD2 4.03Å; I71-F196 HydrophobicContact CG2-CE1 4.29Å; I71-F196 HydrophobicContact CG2-CE2 4.47Å; I71-F196 HydrophobicContact CG2-CG 3.69Å |
| 72 | K | 93.1 | Very high | 88.9 | Confident | 126 Ų | 126 | 39.4 Ų | 39.4 | 55% | 0.548 | 20% | 0.203 | S | C | . | . | trans | -101.5 | -1.5 | -176.9 | -60.9 | -178.6 | -179.6 | 178.9 | 0 | 113.6 | E150 | K72-E150 HydrophobicContact CG-CB 4.38Š| ||
| 73 | L | 93 | Very high | 88.7 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | trans | -73.1 | 126 | 179.8 | -66 | 177.2 | 0 | 0 | 0 | 110.2 | Q7 L11 I71 Y148 F196 D198 | Q7-L73 HydrophobicContact CB-CG 4.32Å; L11-L73 HydrophobicContact CB-CD1 3.6Å; I71-L73 HydrophobicContact CG2-CB 3.96Å; I71-L73 HydrophobicContact CG2-CG 4.33Å; L73-Y148 PolarHBondContact O-OH 3.33Å; L73-F196 HydrophobicContact CB-CB 3.67Å; L73-F196 HydrophobicContact CD1-CB 3.79Å; L73-F196 HydrophobicContact CG-CB 4.37Å; L73-D198 HydrophobicContact CD2-CB 3.9Å | ||
| 74 | P | 93.3 | Very high | 88.8 | Confident | 27 Ų | 27 | 48.5 Ų | 48.5 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -75.2 | -25.2 | -168.9 | 27.3 | -34.6 | 0 | 0 | 0 | 114.6 | L136 S197 D198 | P74-L136 WeakPolarHBondContact O-CB 3.4Å; P74-L136 PolarHBondContact O-N 3.24Å; P74-S197 WeakPolarHBondContact CD-O 3.39Å; P74-D198 WeakPolarHBondContact CG-O 2.94Å |
| 75 | F | 93.9 | Very high | 88.6 | Confident | 27 Ų | 27 | 48.5 Ų | 48.5 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 125.7 | -178.5 | -61.9 | -84.2 | 0 | 0 | 0 | 110.3 | F134 N135 F196 S197 D198 L200 | F75-F134 CarbonylContact C-O 3.39Å; F75-F134 WeakPolarHBondContact CA-O 3.16Å; F75-N135 HydrophobicContact CD1-CB 3.92Å; F75-N135 HydrophobicContact CE1-CB 3.67Å; F75-N135 VanDerWaalsContact CE1-CG 3.42Å; F75-N135 VanDerWaalsContact CE1-ND2 3.34Å; F75-N135 WeakPolarHBondContact CE1-ND2 3.5Å; F75-F196 CarbonylContact O-C 3.59Å; F75-F196 WeakPolarHBondContact O-CA 3.15Å; F75-F196 WeakPolarHBondContact O-CB 3.03Å; F75-S197 WeakPolarHBondContact CB-OG 3.21Å; F75-S197 PolarHBondContact N-O 3.4Å; F75-S197 VanDerWaalsContact N-O 3.13Å; F75-S197 PolarHBondContact O-N 2.8Å; F75-D198 WeakPolarHBondContact CD2-O 3.41Å; F75-D198 WeakPolarHBondContact CE2-O 3.46Å; F75-L200 HydrophobicContact CB-CD2 4.23Å; F75-L200 HydrophobicContact CD1-CD1 4.33Å; F75-L200 HydrophobicContact CD1-CD2 3.26Å; F75-L200 HydrophobicContact CD1-CG 3.62Å; F75-L200 HydrophobicContact CE1-CD1 3.93Å; F75-L200 HydrophobicContact CE1-CD2 3.7Å; F75-L200 HydrophobicContact CE1-CG 3.46Å; F75-L200 VanDerWaalsContact CE1-CG 3.46Å; F75-L200 HydrophobicContact CG-CD2 3.79Å; F75-L200 HydrophobicContact CG-CG 4.26Å; F75-L200 HydrophobicContact CZ-CG 4.04Å |
| 76 | L | 93.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.2 | 166.8 | 169.3 | 66 | 0 | 0 | 0 | 108.3 | M78 F89 V91 F134 L136 V194 F196 | L76-M78 HydrophobicContact CD1-CG 4.37Å; L76-M78 HydrophobicContact CG-CG 4.36Å; L76-F89 HydrophobicContact CD2-CE2 4.39Å; L76-V91 HydrophobicContact CD2-CG2 3.4Å; L76-F134 HydrophobicContact CB-CB 4.06Å; L76-F134 PolarHBondContact N-O 2.77Å; L76-F134 WeakPolarHBondContact O-CB 2.69Å; L76-F134 PolarHBondContact O-N 3.09Å; L76-L136 HydrophobicContact CB-CD1 4.11Å; L76-L136 HydrophobicContact CB-CG 4.43Å; L76-V194 HydrophobicContact CD1-CG1 3.7Å; L76-F196 HydrophobicContact CB-CD1 4.13Å; L76-F196 HydrophobicContact CB-CE1 3.94Å; L76-F196 HydrophobicContact CD1-CD1 4.27Å; L76-F196 HydrophobicContact CD1-CD2 4.33Å; L76-F196 HydrophobicContact CD1-CE1 3.88Å; L76-F196 HydrophobicContact CD1-CE2 3.94Å; L76-F196 HydrophobicContact CD1-CG 4.48Å; L76-F196 HydrophobicContact CD1-CZ 3.71Å; L76-F196 HydrophobicContact CG-CE1 4.4Å |
| 77 | V | 92.3 | Very high | 88.5 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.4 | 177.6 | -172 | 0 | 0 | 0 | 0 | 110.1 | Q131 I132 Q133 V194 Y195 | V77-Q131 HydrophobicContact CG1-CG 3.64Å; V77-I132 CarbonylContact C-O 3.58Å; V77-I132 VanDerWaalsContact CA-O 3.28Å; V77-I132 WeakPolarHBondContact CA-O 3.39Å; V77-Q133 HydrophobicContact CG1-CG 4.2Å; V77-Q133 HydrophobicContact CG2-CG 4.28Å; V77-V194 WeakPolarHBondContact O-CA 3.41Å; V77-Y195 HydrophobicContact CB-CD1 4.12Å; V77-Y195 HydrophobicContact CB-CD2 4.15Å; V77-Y195 HydrophobicContact CB-CE1 3.69Å; V77-Y195 HydrophobicContact CB-CE2 3.69Å; V77-Y195 HydrophobicContact CB-CG 4.36Å; V77-Y195 VanDerWaalsContact CB-CZ 3.46Å; V77-Y195 HydrophobicContact CG1-CD1 4.43Å; V77-Y195 HydrophobicContact CG1-CE1 3.61Å; V77-Y195 HydrophobicContact CG1-CE2 4.22Å; V77-Y195 VanDerWaalsContact CG1-CZ 3.48Å; V77-Y195 WeakPolarHBondContact CG1-OH 3.43Å; V77-Y195 HydrophobicContact CG2-CD2 4.49Å; V77-Y195 HydrophobicContact CG2-CE2 3.86Å; V77-Y195 PolarHBondContact N-O 3.12Å; V77-Y195 PolarHBondContact O-N 2.88Å; V77-Y195 VanDerWaalsContact O-O 3.12Å |
| 78 | M | 90.9 | Very high | 88.4 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.02 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 129.2 | 178.2 | -61.7 | -164.3 | -65.3 | 0 | 0 | 110.7 | L76 I80 F89 Q131 I132 V194 | L76-M78 HydrophobicContact CD1-CG 4.37Å; L76-M78 HydrophobicContact CG-CG 4.36Å; M78-I80 HydrophobicContact CB-CG2 4.21Å; M78-F89 HydrophobicContact CE-CB 4.13Å; M78-F89 HydrophobicContact CE-CD1 3.3Å; M78-F89 HydrophobicContact CE-CD2 3.56Å; M78-F89 HydrophobicContact CE-CE1 3.34Å; M78-F89 HydrophobicContact CE-CE2 3.64Å; M78-F89 HydrophobicContact CE-CG 3.38Å; M78-F89 HydrophobicContact CE-CZ 3.52Å; M78-F89 HydrophobicContact SD-CD2 4.45Å; M78-F89 HydrophobicContact SD-CG 4.41Å; M78-Q131 WeakPolarHBondContact O-CA 3.31Å; M78-I132 HydrophobicContact CE-CD1 4.4Å; M78-I132 PolarHBondContact N-O 3.34Å; M78-I132 PolarHBondContact O-N 3.5Å; M78-V194 HydrophobicContact CG-CB 4.41Å; M78-V194 HydrophobicContact CG-CG1 3.93Å; M78-V194 HydrophobicContact CG-CG2 4Å; M78-V194 HydrophobicContact SD-CG1 4.37Å; M78-V194 HydrophobicContact SD-CG2 4.21Å |
| 79 | I | 91.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 106.3 | 174.9 | -56.5 | 179 | 0 | 0 | 0 | 107.8 | W129 N130 R192 R193 Y195 L212 | I79-W129 HydrophobicContact CG2-CE3 3.77Å; I79-W129 HydrophobicContact CG2-CZ3 3.96Å; I79-N130 WeakPolarHBondContact CA-O 3.34Å; I79-R192 HydrophobicContact CB-CB 4.34Å; I79-R192 HydrophobicContact CG2-CB 4.06Å; I79-R192 PolarHBondContact O-N 2.97Å; I79-R193 HydrophobicContact CB-CB 4.42Å; I79-R193 HydrophobicContact CD1-CB 4.17Å; I79-R193 HydrophobicContact CG1-CB 4.45Å; I79-R193 PolarHBondContact N-O 3.37Å; I79-Y195 HydrophobicContact CD1-CE1 4.37Å; I79-L212 HydrophobicContact CG2-CD1 3.5Å; I79-L212 VanDerWaalsContact CG2-CD1 3.5Å |
| 80 | I | 90.9 | Very high | 88.5 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 148.6 | -175.5 | 70.6 | 168.4 | 0 | 0 | 0 | 111.7 | M78 F87 L125 N130 I132 R190 I191 | M78-I80 HydrophobicContact CB-CG2 4.21Å; I80-F87 HydrophobicContact CD1-CD1 3.72Å; I80-F87 HydrophobicContact CD1-CE1 3.45Å; I80-F87 VanDerWaalsContact CD1-CE1 3.45Å; I80-F87 HydrophobicContact CD1-CG 4.48Å; I80-F87 HydrophobicContact CD1-CZ 4.03Å; I80-L125 HydrophobicContact CD1-CD1 4.01Å; I80-L125 HydrophobicContact CD1-CD2 4.16Å; I80-N130 HydrophobicContact CG1-CB 4.46Å; I80-N130 PolarHBondContact N-O 2.82Å; I80-N130 PolarHBondContact O-N 2.8Å; I80-I132 HydrophobicContact CD1-CD1 3.46Å; I80-I132 VanDerWaalsContact CD1-CD1 3.46Å; I80-I132 HydrophobicContact CD1-CG1 4.47Å; I80-I132 HydrophobicContact CG1-CD1 3.89Å; I80-I132 HydrophobicContact CG1-CG1 4.43Å; I80-R190 CarbonylContact C-O 3.56Å; I80-R190 VanDerWaalsContact CA-O 3.22Å; I80-R190 WeakPolarHBondContact CA-O 3.37Å; I80-I191 HydrophobicContact CG2-CG1 4.16Å; I80-I191 HydrophobicContact CG2-CG2 4.42Å |
| 81 | K | 90.8 | Very high | 88.6 | Confident | 23 Ų | 23 | 31.7 Ų | 31.7 | 10% | 0.1 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.5 | 169.3 | -160.2 | 178 | -172.2 | 167.1 | 0 | 109.9 | D39 D41 L83 G128 W129 R190 | D39-K81 VanDerWaalsContact CG-NZ 3.32Å; D39-K81 IonicContact OD1-NZ 2.83Å; D39-K81 PolarHBondContact OD1-NZ 2.63Å; D39-K81 VanDerWaalsContact OD2-CD 3.27Å; D39-K81 WeakPolarHBondContact OD2-CD 3.36Å; D39-K81 IonicContact OD2-NZ 2.63Å; D39-K81 PolarHBondContact OD2-NZ 2.96Å; D41-K81 VanDerWaalsContact CG-NZ 3.3Å; D41-K81 IonicContact OD1-NZ 3.86Å; D41-K81 WeakPolarHBondContact OD2-CE 3.32Å; D41-K81 IonicContact OD2-NZ 2.9Å; D41-K81 PolarHBondContact OD2-NZ 3.22Å; K81-L83 HydrophobicContact CD-CD2 4.14Å; K81-L83 HydrophobicContact CG-CD2 4.34Å; K81-L83 PolarHBondContact O-N 3.39Å; K81-G128 CarbonylContact C-O 3.59Å; K81-G128 WeakPolarHBondContact CA-O 3.37Å; K81-W129 HydrophobicContact CB-CD2 3.95Å; K81-W129 HydrophobicContact CB-CE3 4.09Å; K81-W129 HydrophobicContact CB-CH2 4.1Å; K81-W129 HydrophobicContact CB-CZ2 3.98Å; K81-W129 HydrophobicContact CB-CZ3 4.17Å; K81-W129 HydrophobicContact CD-CZ2 4.17Å; K81-W129 HydrophobicContact CG-CD2 4.21Å; K81-W129 HydrophobicContact CG-CG 4.32Å; K81-W129 HydrophobicContact CG-CZ2 4.47Å; K81-R190 HydrophobicContact CB-CB 3.94Å; K81-R190 PolarHBondContact N-O 2.7Å |
| 82 | N | 87 | Confident | 88.7 | Confident | 21 Ų | 21 | 33.4 Ų | 33.4 | 11% | 0.112 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 114.4 | 170.3 | -176.9 | 13.2 | 0 | 0 | 0 | 109.2 | R84 L125 D126 G128 | N82-R84 VanDerWaalsContact C-N 3.28Å; N82-R84 WeakPolarHBondContact OD1-CA 3.02Å; N82-R84 PolarHBondContact OD1-N 2.83Å; N82-L125 HydrophobicContact CB-CB 3.96Å; N82-L125 HydrophobicContact CB-CD1 4.41Å; N82-L125 PolarHBondContact ND2-O 3.27Å; N82-D126 WeakPolarHBondContact CB-O 3.27Å; N82-D126 PolarHBondContact ND2-O 2.96Å; N82-G128 PolarHBondContact N-O 2.82Å |
| 83 | L | 83.9 | Confident | 88.7 | Confident | 46 Ų | 46 | 27.4 Ų | 27.4 | 24% | 0.241 | 12% | 0.119 | C | C | . | . | trans | -95 | 20.2 | 176.5 | -62.7 | 179.3 | 0 | 0 | 0 | 112.3 | K81 K85 N188 R190 | K81-L83 HydrophobicContact CD-CD2 4.14Å; K81-L83 HydrophobicContact CG-CD2 4.34Å; K81-L83 PolarHBondContact O-N 3.39Å; L83-K85 HydrophobicContact CB-CG 4.48Å; L83-K85 WeakPolarHBondContact O-CG 3.35Å; L83-K85 PolarHBondContact O-N 2.93Å; L83-K85 VanDerWaalsContact O-N 3.12Å; L83-N188 HydrophobicContact CB-CB 4.26Å; L83-N188 HydrophobicContact CD1-CB 3.51Å; L83-R190 HydrophobicContact CD1-CG 4.13Å | ||
| 84 | R | 79.8 | Confident | 88.8 | Confident | 190 Ų | 190 | 28 Ų | 28 | 72% | 0.717 | 12% | 0.122 | S | C | * | . | S | Bend | trans | 53.2 | 29.3 | -172.6 | -60 | -180 | 175.6 | 168.3 | -2.3 | 112.9 | N82 D127 | N82-R84 VanDerWaalsContact C-N 3.28Å; N82-R84 WeakPolarHBondContact OD1-CA 3.02Å; N82-R84 PolarHBondContact OD1-N 2.83Å; R84-D127 IonicContact CZ-OD1 3.63Å; R84-D127 IonicContact CZ-OD2 3.55Å; R84-D127 IonicContact NE-OD1 2.85Å; R84-D127 PolarHBondContact NE-OD1 2.93Å; R84-D127 IonicContact NE-OD2 3.55Å; R84-D127 IonicContact NH2-OD1 3.53Å; R84-D127 IonicContact NH2-OD2 2.73Å; R84-D127 PolarHBondContact NH2-OD2 3.14Å |
| 85 | K | 78.9 | Confident | 88.9 | Confident | 57 Ų | 57 | 26.8 Ų | 26.8 | 25% | 0.248 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -115.3 | 161.4 | 174.7 | -58.5 | -150.4 | -166.1 | 177.3 | 0 | 109.1 | E50 L83 N107 H186 N188 | E50-K85 IonicContact OE1-NZ 3.89Å; L83-K85 HydrophobicContact CB-CG 4.48Å; L83-K85 WeakPolarHBondContact O-CG 3.35Å; L83-K85 PolarHBondContact O-N 2.93Å; L83-K85 VanDerWaalsContact O-N 3.12Å; K85-N107 PolarHBondContact O-ND2 3.16Å; K85-H186 HydrophobicContact CD-CB 3.84Å; K85-H186 VanDerWaalsContact CD-O 3.3Å; K85-H186 WeakPolarHBondContact CD-O 3.35Å; K85-N188 HydrophobicContact CB-CB 4.47Å; K85-N188 HydrophobicContact CD-CB 3.73Å; K85-N188 VanDerWaalsContact CD-CG 3.49Å; K85-N188 WeakPolarHBondContact CD-OD1 3.06Å; K85-N188 VanDerWaalsContact CE-CG 3.43Å; K85-N188 WeakPolarHBondContact CE-ND2 3.34Å; K85-N188 HydrophobicContact CG-CB 4.26Å; K85-N188 PolarHBondContact NZ-ND2 3.05Å; K85-N188 PolarHBondContact NZ-OD1 3.27Å |
| 86 | Y | 78.7 | Confident | 88.9 | Confident | 109 Ų | 109 | 29.3 Ų | 29.3 | 43% | 0.427 | 13% | 0.129 | S | C | . | . | trans | -71 | 140.8 | 178.9 | -62.8 | -41.7 | 0 | 0 | 0 | 111.5 | N107 Y108 P159 I185 | Y86-N107 WeakPolarHBondContact CA-OD1 3.46Å; Y86-Y108 HydrophobicContact CG-CD1 4.48Å; Y86-P159 VanDerWaalsContact C-CD 3.49Å; Y86-P159 HydrophobicContact CD2-CG 3.87Å; Y86-P159 HydrophobicContact CG-CG 3.96Å; Y86-P159 VanDerWaalsContact O-CD 3.24Å; Y86-P159 WeakPolarHBondContact O-CD 3.41Å; Y86-I185 HydrophobicContact CD2-CB 4.47Å; Y86-I185 HydrophobicContact CD2-CD1 4.16Å; Y86-I185 HydrophobicContact CD2-CG1 4.19Å; Y86-I185 HydrophobicContact CD2-CG2 3.5Å; Y86-I185 VanDerWaalsContact CD2-CG2 3.5Å; Y86-I185 HydrophobicContact CE2-CD1 3.94Å; Y86-I185 HydrophobicContact CE2-CG1 4.05Å; Y86-I185 HydrophobicContact CE2-CG2 4.22Å; Y86-I185 HydrophobicContact CG-CG2 4.47Å | ||
| 87 | F | 82.9 | Confident | 89 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | trans | -141.9 | 143.8 | -175.7 | 174 | -108.9 | 0 | 0 | 0 | 110 | I80 F89 S106 N107 M123 L125 S157 C189 | I80-F87 HydrophobicContact CD1-CD1 3.72Å; I80-F87 HydrophobicContact CD1-CE1 3.45Å; I80-F87 VanDerWaalsContact CD1-CE1 3.45Å; I80-F87 HydrophobicContact CD1-CG 4.48Å; I80-F87 HydrophobicContact CD1-CZ 4.03Å; F87-F89 HydrophobicContact CE1-CB 4.41Å; F87-F89 AromaticContact CE1-CD1 3.76Å; F87-F89 HydrophobicContact CE1-CD1 3.76Å; F87-F89 HydrophobicContact CZ-CB 4.12Å; F87-F89 HydrophobicContact CZ-CD1 4.26Å; F87-S106 WeakPolarHBondContact O-CA 3.35Å; F87-N107 PolarHBondContact N-ND2 3.3Å; F87-N107 PolarHBondContact N-OD1 3.27Å; F87-N107 PolarHBondContact O-N 3.07Å; F87-N107 PolarHBondContact O-OD1 2.79Å; F87-M123 HydrophobicContact CD1-CE 3.84Å; F87-M123 HydrophobicContact CD1-SD 3.84Å; F87-M123 HydrophobicContact CE1-CE 4.09Å; F87-M123 HydrophobicContact CE1-SD 4.24Å; F87-L125 HydrophobicContact CD1-CD1 4.37Å; F87-S157 WeakPolarHBondContact CD2-O 3.45Å; F87-C189 HydrophobicContact CD2-CB 3.67Å; F87-C189 HydrophobicContact CE2-CB 3.97Å; F87-C189 HydrophobicContact CG-CB 4.46Å | ||
| 88 | T | 84.9 | Confident | 89.1 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 149.6 | 171.8 | -161.5 | 0 | 0 | 0 | 0 | 110.7 | R104 A105 S157 T158 | T88-R104 WeakPolarHBondContact OG1-CG 3.25Å; T88-A105 CarbonylContact C-O 3.35Å; T88-A105 WeakPolarHBondContact CA-O 3.48Å; T88-A105 PolarHBondContact OG1-O 3.24Å; T88-S157 CarbonylContact C-O 3.3Å; T88-S157 WeakPolarHBondContact CG2-OG 3.37Å; T88-S157 PolarHBondContact N-O 2.8Å; T88-S157 VanDerWaalsContact N-O 3.09Å; T88-S157 CarbonylContact O-C 3.56Å; T88-S157 VanDerWaalsContact O-C 3.3Å; T88-S157 PolarHBondContact O-N 2.75Å; T88-T158 WeakPolarHBondContact CG2-O 3.5Å |
| 89 | F | 87.8 | Confident | 89.2 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 156.3 | 166.2 | 70.3 | -87.6 | 0 | 0 | 0 | 109.8 | L76 M78 F87 V91 R104 A105 M123 I132 F134 Q155 | L76-F89 HydrophobicContact CD2-CE2 4.39Å; M78-F89 HydrophobicContact CE-CB 4.13Å; M78-F89 HydrophobicContact CE-CD1 3.3Å; M78-F89 HydrophobicContact CE-CD2 3.56Å; M78-F89 HydrophobicContact CE-CE1 3.34Å; M78-F89 HydrophobicContact CE-CE2 3.64Å; M78-F89 HydrophobicContact CE-CG 3.38Å; M78-F89 HydrophobicContact CE-CZ 3.52Å; M78-F89 HydrophobicContact SD-CD2 4.45Å; M78-F89 HydrophobicContact SD-CG 4.41Å; F87-F89 HydrophobicContact CE1-CB 4.41Å; F87-F89 AromaticContact CE1-CD1 3.76Å; F87-F89 HydrophobicContact CE1-CD1 3.76Å; F87-F89 HydrophobicContact CZ-CB 4.12Å; F87-F89 HydrophobicContact CZ-CD1 4.26Å; F89-V91 HydrophobicContact CD2-CG2 3.9Å; F89-V91 HydrophobicContact CE2-CG2 3.99Å; F89-R104 WeakPolarHBondContact O-CA 3.27Å; F89-A105 HydrophobicContact CD1-CB 4.1Å; F89-A105 HydrophobicContact CE1-CB 3.51Å; F89-A105 HydrophobicContact CE2-CB 4.32Å; F89-A105 HydrophobicContact CZ-CB 3.63Å; F89-A105 PolarHBondContact N-O 3.21Å; F89-A105 PolarHBondContact O-N 2.93Å; F89-M123 HydrophobicContact CD1-CE 3.53Å; F89-M123 HydrophobicContact CE1-CE 3.52Å; F89-M123 HydrophobicContact CE1-SD 4.34Å; F89-I132 HydrophobicContact CE1-CD1 4.45Å; F89-I132 HydrophobicContact CZ-CG2 4.49Å; F89-F134 HydrophobicContact CE1-CE2 4.47Å; F89-F134 HydrophobicContact CE2-CD1 4.4Å; F89-F134 HydrophobicContact CE2-CD2 4.36Å; F89-F134 HydrophobicContact CE2-CE1 4.39Å; F89-F134 HydrophobicContact CE2-CE2 4.35Å; F89-F134 HydrophobicContact CE2-CG 4.37Å; F89-F134 HydrophobicContact CE2-CZ 4.33Å; F89-F134 HydrophobicContact CZ-CD1 4.5Å; F89-F134 AromaticContact CZ-CD2 3.71Å; F89-F134 HydrophobicContact CZ-CD2 3.71Å; F89-F134 HydrophobicContact CZ-CE1 4.39Å; F89-F134 AromaticContact CZ-CE2 3.58Å; F89-F134 HydrophobicContact CZ-CE2 3.58Å; F89-F134 HydrophobicContact CZ-CG 4.15Å; F89-F134 AromaticContact CZ-CZ 3.92Å; F89-F134 HydrophobicContact CZ-CZ 3.92Å; F89-Q155 CarbonylContact C-O 3.57Å; F89-Q155 WeakPolarHBondContact CA-O 3.38Å |
| 90 | E | 90 | Very high | 89.3 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 133.3 | -176.6 | -172.7 | -176.9 | 127.9 | 0 | 0 | 109.9 | R102 F103 R104 Q155 | E90-R102 VanDerWaalsContact CD-NH1 3.29Å; E90-R102 HydrophobicContact CG-CG 3.39Å; E90-R102 WeakPolarHBondContact OE1-CD 3.25Å; E90-R102 VanDerWaalsContact OE1-CG 3.27Å; E90-R102 WeakPolarHBondContact OE1-CG 3.18Å; E90-R102 IonicContact OE1-CZ 2.71Å; E90-R102 IonicContact OE1-NE 2.87Å; E90-R102 PolarHBondContact OE1-NE 2.95Å; E90-R102 IonicContact OE1-NH1 3.92Å; E90-R102 PolarHBondContact OE1-NH1 2.87Å; E90-R102 WeakPolarHBondContact OE2-CD 3.46Å; E90-R102 IonicContact OE2-CZ 2.98Å; E90-R102 IonicContact OE2-NH1 3.69Å; E90-R102 PolarHBondContact OE2-NH1 3.16Å; E90-R102 VanDerWaalsContact OE2-NH1 3.1Å; E90-F103 CarbonylContact C-O 3.59Å; E90-F103 VanDerWaalsContact CA-O 3.27Å; E90-F103 WeakPolarHBondContact CA-O 3.49Å; E90-R104 IonicContact OE2-CZ 3.02Å; E90-R104 IonicContact OE2-NE 3.04Å; E90-R104 PolarHBondContact OE2-NE 3.02Å; E90-R104 IonicContact OE2-NH2 2.72Å; E90-R104 PolarHBondContact OE2-NH2 2.92Å; E90-Q155 HydrophobicContact CB-CB 4.33Å; E90-Q155 PolarHBondContact N-O 2.85Å; E90-Q155 PolarHBondContact O-N 3.22Å |
| 91 | V | 91.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126 | 175.2 | -173.1 | 0 | 0 | 0 | 0 | 108.3 | L76 F89 V93 R102 F103 L136 T151 R153 V154 | L76-V91 HydrophobicContact CD2-CG2 3.4Å; F89-V91 HydrophobicContact CD2-CG2 3.9Å; F89-V91 HydrophobicContact CE2-CG2 3.99Å; V91-V93 HydrophobicContact CG1-CG1 4.06Å; V91-R102 CarbonylContact O-C 3.55Å; V91-R102 WeakPolarHBondContact O-CA 3.2Å; V91-F103 PolarHBondContact N-O 2.84Å; V91-F103 PolarHBondContact O-N 3.07Å; V91-L136 HydrophobicContact CB-CD2 4.3Å; V91-L136 HydrophobicContact CG1-CD1 4.18Å; V91-L136 HydrophobicContact CG1-CD2 3.94Å; V91-T151 HydrophobicContact CG1-CG2 3.63Å; V91-R153 WeakPolarHBondContact CA-O 3.43Å; V91-V154 HydrophobicContact CG1-CG2 4.4Å |
| 92 | Q | 92.9 | Very high | 89.5 | Confident | 37 Ų | 37 | 55.9 Ų | 55.9 | 17% | 0.173 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126 | 172.1 | -167.7 | 176.6 | 21.6 | 0 | 0 | 109.4 | R101 L152 R153 | Q92-R101 CarbonylContact C-O 3.53Å; Q92-R101 WeakPolarHBondContact CA-O 3.29Å; Q92-L152 HydrophobicContact CB-CB 4.41Å; Q92-L152 HydrophobicContact CG-CB 4.37Å; Q92-L152 HydrophobicContact CG-CD1 4.33Å; Q92-L152 PolarHBondContact O-N 2.99Å; Q92-R153 HydrophobicContact CB-CB 3.98Å; Q92-R153 PolarHBondContact N-O 2.96Å; Q92-R153 PolarHBondContact O-N 3.49Å |
| 93 | V | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 157.6 | 178 | -53.4 | 0 | 0 | 0 | 0 | 111 | V91 R100 R101 F103 L136 Y148 E150 | V91-V93 HydrophobicContact CG1-CG1 4.06Å; V93-R100 WeakPolarHBondContact O-CA 3.38Å; V93-R101 HydrophobicContact CG2-CB 3.93Å; V93-R101 PolarHBondContact N-O 2.89Å; V93-R101 PolarHBondContact O-N 3.47Å; V93-F103 HydrophobicContact CG1-CD2 4.22Å; V93-F103 HydrophobicContact CG1-CE2 4.47Å; V93-F103 HydrophobicContact CG2-CD2 3.97Å; V93-F103 HydrophobicContact CG2-CE2 3.59Å; V93-L136 HydrophobicContact CG1-CD1 4.36Å; V93-L136 HydrophobicContact CG1-CD2 4.13Å; V93-Y148 HydrophobicContact CB-CD2 4Å; V93-Y148 HydrophobicContact CB-CE2 4.01Å; V93-Y148 HydrophobicContact CG1-CD2 4.03Å; V93-Y148 HydrophobicContact CG1-CE2 3.77Å; V93-E150 CarbonylContact C-O 3.48Å; V93-E150 WeakPolarHBondContact CA-O 3.4Å |
| 94 | L | 95.3 | Very high | 89.9 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 11% | 0.105 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.7 | 168.5 | -169.3 | 66.7 | 0 | 0 | 0 | 108.8 | R100 T149 E150 L152 | L94-R100 HydrophobicContact CD1-CG 4.1Å; L94-T149 WeakPolarHBondContact O-CB 3.07Å; L94-T149 PolarHBondContact O-N 2.96Å; L94-E150 HydrophobicContact CB-CG 3.96Å; L94-E150 HydrophobicContact CD2-CG 4.18Å; L94-E150 PolarHBondContact N-O 3.49Å; L94-E150 PolarHBondContact O-N 3.21Å; L94-L152 HydrophobicContact CB-CD1 4.1Å; L94-L152 HydrophobicContact CB-CD2 4.21Å; L94-L152 HydrophobicContact CB-CG 4.16Å; L94-L152 HydrophobicContact CD1-CD1 4.46Å |
| 95 | D | 94.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.011 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 173.6 | 173.1 | 69.1 | 20.5 | 0 | 0 | 0 | 112.6 | K97 N98 V99 R101 T140 T146 N147 T149 | D95-K97 PolarHBondContact O-N 3.26Å; D95-K97 WeakPolarHBondContact OD1-CA 3.37Å; D95-K97 WeakPolarHBondContact OD1-CB 3.36Å; D95-K97 PolarHBondContact OD1-N 3.29Å; D95-K97 VanDerWaalsContact OD1-N 3.1Å; D95-N98 PolarHBondContact O-N 2.92Å; D95-N98 PolarHBondContact OD1-N 3.49Å; D95-V99 PolarHBondContact N-O 2.81Å; D95-V99 VanDerWaalsContact N-O 3.11Å; D95-V99 WeakPolarHBondContact OD1-CA 3.38Å; D95-V99 WeakPolarHBondContact OD1-CB 3.28Å; D95-V99 PolarHBondContact OD1-N 2.63Å; D95-R101 IonicContact OD2-CZ 3.28Å; D95-R101 IonicContact OD2-NE 2.94Å; D95-R101 PolarHBondContact OD2-NE 3.39Å; D95-R101 IonicContact OD2-NH2 2.78Å; D95-R101 PolarHBondContact OD2-NH2 2.91Å; D95-T140 HydrophobicContact CB-CG2 4.08Å; D95-T146 WeakPolarHBondContact CB-OG1 3.45Å; D95-T146 PolarHBondContact OD2-OG1 2.85Å; D95-N147 CarbonylContact C-O 3.5Å; D95-N147 VanDerWaalsContact CA-O 3.24Å; D95-N147 WeakPolarHBondContact CA-O 3.29Å; D95-T149 VanDerWaalsContact C-OG1 3.28Å; D95-T149 PolarHBondContact O-OG1 2.95Å |
| 96 | D | 95 | Very high | 90.6 | Very high | 79 Ų | 79 | 44.3 Ų | 44.3 | 42% | 0.422 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -15.7 | 177.7 | 58.9 | -2 | 0 | 0 | 0 | 114.1 | T146 N147 T149 | D96-T146 VanDerWaalsContact OD1-CB 3.24Å; D96-T146 WeakPolarHBondContact OD1-CB 3.31Å; D96-N147 HydrophobicContact CB-CB 4.26Å; D96-N147 PolarHBondContact N-O 3.45Å; D96-N147 PolarHBondContact OD1-N 2.91Å; D96-N147 WeakPolarHBondContact OD2-CB 3.45Å; D96-N147 PolarHBondContact OD2-N 2.94Å; D96-N147 VanDerWaalsContact OD2-N 3.15Å; D96-N147 PolarHBondContact OD2-ND2 2.97Å; D96-T149 PolarHBondContact N-OG1 3.4Å |
| 97 | K | 94.7 | Very high | 90.8 | Very high | 142 Ų | 142 | 41.1 Ų | 41.1 | 62% | 0.617 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 9.6 | 170.5 | -63.2 | -175.6 | -178.7 | 172.6 | 0 | 112.5 | D95 V99 T146 | D95-K97 PolarHBondContact O-N 3.26Å; D95-K97 WeakPolarHBondContact OD1-CA 3.37Å; D95-K97 WeakPolarHBondContact OD1-CB 3.36Å; D95-K97 PolarHBondContact OD1-N 3.29Å; D95-K97 VanDerWaalsContact OD1-N 3.1Å; K97-V99 HydrophobicContact CB-CG2 4.13Å; K97-V99 PolarHBondContact O-N 2.78Å; K97-T146 HydrophobicContact CD-CG2 3.65Å; K97-T146 HydrophobicContact CG-CG2 3.97Å |
| 98 | N | 94.1 | Very high | 90.7 | Very high | 127 Ų | 127 | 44.6 Ų | 44.6 | 68% | 0.679 | 20% | 0.2 | S | C | * | . | S | Bend | trans | 59.2 | 26.3 | -178 | -160.6 | 34.1 | 0 | 0 | 0 | 113.1 | D95 | D95-N98 PolarHBondContact O-N 2.92Å; D95-N98 PolarHBondContact OD1-N 3.49Å |
| 99 | V | 94 | Very high | 90.3 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 25% | 0.248 | 21% | 0.207 | C | C | . | . | trans | -96.8 | 134.4 | 175.7 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | D95 K97 R101 F117 | D95-V99 PolarHBondContact N-O 2.81Å; D95-V99 VanDerWaalsContact N-O 3.11Å; D95-V99 WeakPolarHBondContact OD1-CA 3.38Å; D95-V99 WeakPolarHBondContact OD1-CB 3.28Å; D95-V99 PolarHBondContact OD1-N 2.63Å; K97-V99 HydrophobicContact CB-CG2 4.13Å; K97-V99 PolarHBondContact O-N 2.78Å; V99-R101 VanDerWaalsContact CG1-CZ 3.44Å; V99-F117 HydrophobicContact CG1-CD1 4.19Å; V99-F117 HydrophobicContact CG1-CE1 4.1Å | ||
| 100 | R | 93.6 | Very high | 90 | Very high | 158 Ų | 158 | 51.3 Ų | 51.3 | 60% | 0.596 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 118.1 | 176.4 | -58.7 | -178.7 | -174.1 | 171.7 | 1.1 | 109.6 | V93 L94 L152 | V93-R100 WeakPolarHBondContact O-CA 3.38Å; L94-R100 HydrophobicContact CD1-CG 4.1Å; R100-L152 HydrophobicContact CG-CD1 3.87Å |
| 101 | R | 92.6 | Very high | 89.6 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 12% | 0.121 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 150.6 | 176.6 | -51 | -64.9 | 179 | 173.3 | 1.1 | 110 | Q92 V93 D95 V99 P116 Y144 | Q92-R101 CarbonylContact C-O 3.53Å; Q92-R101 WeakPolarHBondContact CA-O 3.29Å; V93-R101 HydrophobicContact CG2-CB 3.93Å; V93-R101 PolarHBondContact N-O 2.89Å; V93-R101 PolarHBondContact O-N 3.47Å; D95-R101 IonicContact OD2-CZ 3.28Å; D95-R101 IonicContact OD2-NE 2.94Å; D95-R101 PolarHBondContact OD2-NE 3.39Å; D95-R101 IonicContact OD2-NH2 2.78Å; D95-R101 PolarHBondContact OD2-NH2 2.91Å; V99-R101 VanDerWaalsContact CG1-CZ 3.44Å; R101-P116 WeakPolarHBondContact CD-O 3.28Å; R101-P116 PolarHBondContact NH1-O 2.96Å; R101-Y144 HydrophobicContact CB-CD2 4.28Å; R101-Y144 HydrophobicContact CB-CE2 3.81Å; R101-Y144 HydrophobicContact CG-CD2 3.84Å; R101-Y144 HydrophobicContact CG-CE2 3.8Å; R101-Y144 HydrophobicContact CG-CG 4.41Å |
| 102 | R | 92.3 | Very high | 89.5 | Confident | 92 Ų | 92 | 58.5 Ų | 58.5 | 35% | 0.347 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 119 | -178.2 | -176.5 | -171.7 | -67.3 | -138.8 | 10.8 | 109.6 | E90 V91 F117 I118 C119 | E90-R102 VanDerWaalsContact CD-NH1 3.29Å; E90-R102 HydrophobicContact CG-CG 3.39Å; E90-R102 WeakPolarHBondContact OE1-CD 3.25Å; E90-R102 VanDerWaalsContact OE1-CG 3.27Å; E90-R102 WeakPolarHBondContact OE1-CG 3.18Å; E90-R102 IonicContact OE1-CZ 2.71Å; E90-R102 IonicContact OE1-NE 2.87Å; E90-R102 PolarHBondContact OE1-NE 2.95Å; E90-R102 IonicContact OE1-NH1 3.92Å; E90-R102 PolarHBondContact OE1-NH1 2.87Å; E90-R102 WeakPolarHBondContact OE2-CD 3.46Å; E90-R102 IonicContact OE2-CZ 2.98Å; E90-R102 IonicContact OE2-NH1 3.69Å; E90-R102 PolarHBondContact OE2-NH1 3.16Å; E90-R102 VanDerWaalsContact OE2-NH1 3.1Å; V91-R102 CarbonylContact O-C 3.55Å; V91-R102 WeakPolarHBondContact O-CA 3.2Å; R102-F117 WeakPolarHBondContact CB-O 3.37Å; R102-F117 PolarHBondContact N-O 2.84Å; R102-I118 HydrophobicContact CB-CB 4.33Å; R102-I118 HydrophobicContact CB-CG1 4.22Å; R102-I118 HydrophobicContact CG-CD1 4.48Å; R102-I118 HydrophobicContact CG-CG1 4.24Å; R102-I118 CarbonylContact O-C 3.59Å; R102-I118 VanDerWaalsContact O-CA 3.26Å; R102-I118 WeakPolarHBondContact O-CA 3.22Å; R102-C119 PolarHBondContact O-N 3.33Å |
| 103 | F | 90.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 122.8 | 172.5 | -69.8 | -72.9 | 0 | 0 | 0 | 108.9 | E90 V91 V93 C119 M121 F134 F139 A143 Y144 | E90-F103 CarbonylContact C-O 3.59Å; E90-F103 VanDerWaalsContact CA-O 3.27Å; E90-F103 WeakPolarHBondContact CA-O 3.49Å; V91-F103 PolarHBondContact N-O 2.84Å; V91-F103 PolarHBondContact O-N 3.07Å; V93-F103 HydrophobicContact CG1-CD2 4.22Å; V93-F103 HydrophobicContact CG1-CE2 4.47Å; V93-F103 HydrophobicContact CG2-CD2 3.97Å; V93-F103 HydrophobicContact CG2-CE2 3.59Å; F103-C119 WeakPolarHBondContact CA-O 3.27Å; F103-C119 HydrophobicContact CD1-CB 3.59Å; F103-C119 HydrophobicContact CE1-CB 3.65Å; F103-M121 HydrophobicContact CB-CE 3.68Å; F103-M121 HydrophobicContact CD1-CE 3.5Å; F103-M121 VanDerWaalsContact CD1-CE 3.5Å; F103-M121 HydrophobicContact CG-CE 4Å; F103-F134 HydrophobicContact CB-CE1 4.44Å; F103-F139 HydrophobicContact CD1-CB 4.37Å; F103-F139 HydrophobicContact CE1-CB 3.9Å; F103-F139 HydrophobicContact CZ-CB 4.04Å; F103-A143 HydrophobicContact CE1-CB 4.16Å; F103-Y144 HydrophobicContact CE1-CE2 4.07Å; F103-Y144 HydrophobicContact CZ-CD2 4.15Å; F103-Y144 AromaticContact CZ-CE2 3.79Å; F103-Y144 HydrophobicContact CZ-CE2 3.79Å |
| 104 | R | 89.3 | Confident | 89.3 | Confident | 72 Ų | 72 | 67.8 Ų | 67.8 | 27% | 0.272 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 123.9 | 174.7 | -179 | 176.4 | -66.2 | 173.5 | -2.7 | 108.8 | T88 F89 E90 C119 T120 M121 | T88-R104 WeakPolarHBondContact OG1-CG 3.25Å; F89-R104 WeakPolarHBondContact O-CA 3.27Å; E90-R104 IonicContact OE2-CZ 3.02Å; E90-R104 IonicContact OE2-NE 3.04Å; E90-R104 PolarHBondContact OE2-NE 3.02Å; E90-R104 IonicContact OE2-NH2 2.72Å; E90-R104 PolarHBondContact OE2-NH2 2.92Å; R104-C119 PolarHBondContact N-O 3.32Å; R104-T120 HydrophobicContact CB-CG2 4.32Å; R104-T120 CarbonylContact O-C 3.51Å; R104-T120 VanDerWaalsContact O-CA 3.28Å; R104-T120 WeakPolarHBondContact O-CA 3.45Å; R104-M121 PolarHBondContact O-N 2.88Å |
| 105 | A | 87.4 | Confident | 89.2 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 139.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | T88 F89 M121 M123 F134 | T88-A105 CarbonylContact C-O 3.35Å; T88-A105 WeakPolarHBondContact CA-O 3.48Å; T88-A105 PolarHBondContact OG1-O 3.24Å; F89-A105 HydrophobicContact CD1-CB 4.1Å; F89-A105 HydrophobicContact CE1-CB 3.51Å; F89-A105 HydrophobicContact CE2-CB 4.32Å; F89-A105 HydrophobicContact CZ-CB 3.63Å; F89-A105 PolarHBondContact N-O 3.21Å; F89-A105 PolarHBondContact O-N 2.93Å; A105-M121 VanDerWaalsContact CA-O 3.32Å; A105-M121 WeakPolarHBondContact CA-O 3.35Å; A105-M121 HydrophobicContact CB-CG 3.94Å; A105-M123 HydrophobicContact CB-CE 3.72Å; A105-M123 WeakPolarHBondContact O-CE 3.03Å; A105-F134 HydrophobicContact CB-CE2 4.04Å; A105-F134 HydrophobicContact CB-CZ 3.8Å |
| 106 | S | 85.3 | Confident | 89 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 141.9 | -175 | 28 | 0 | 0 | 0 | 0 | 111.4 | F87 Y108 Q109 M121 P122 M123 | F87-S106 WeakPolarHBondContact O-CA 3.35Å; S106-Y108 VanDerWaalsContact C-N 3.32Å; S106-Q109 VanDerWaalsContact OG-CB 3.25Å; S106-Q109 WeakPolarHBondContact OG-CB 3.4Å; S106-Q109 PolarHBondContact OG-OE1 2.99Å; S106-Q109 VanDerWaalsContact OG-OE1 3.09Å; S106-M121 PolarHBondContact N-O 2.88Å; S106-M121 VanDerWaalsContact N-O 3.09Å; S106-P122 CarbonylContact O-C 3.41Å; S106-P122 WeakPolarHBondContact O-CA 3.11Å; S106-M123 PolarHBondContact O-N 3.25Å |
| 107 | N | 83.3 | Confident | 88.8 | Confident | 41 Ų | 41 | 80.3 Ų | 80.3 | 22% | 0.219 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -0.5 | 178.3 | 69.8 | -11.7 | 0 | 0 | 0 | 114.4 | K85 Y86 F87 M123 L125 | K85-N107 PolarHBondContact O-ND2 3.16Å; Y86-N107 WeakPolarHBondContact CA-OD1 3.46Å; F87-N107 PolarHBondContact N-ND2 3.3Å; F87-N107 PolarHBondContact N-OD1 3.27Å; F87-N107 PolarHBondContact O-N 3.07Å; F87-N107 PolarHBondContact O-OD1 2.79Å; N107-M123 WeakPolarHBondContact CA-O 3.39Å; N107-M123 HydrophobicContact CB-CG 3.79Å; N107-M123 HydrophobicContact CB-SD 4.48Å; N107-L125 HydrophobicContact CB-CD1 4.43Å |
| 108 | Y | 80.1 | Confident | 88.5 | Confident | 78 Ų | 78 | 75.4 Ų | 75.4 | 31% | 0.306 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -3.4 | 175.4 | 57.4 | -89 | 0 | 0 | 0 | 112.7 | Y86 S106 P159 | Y86-Y108 HydrophobicContact CG-CD1 4.48Å; S106-Y108 VanDerWaalsContact C-N 3.32Å; Y108-P159 HydrophobicContact CD1-CB 3.66Å; Y108-P159 HydrophobicContact CD1-CG 4.46Å; Y108-P159 HydrophobicContact CE1-CB 3.34Å; Y108-P159 HydrophobicContact CE1-CG 4.43Å; Y108-P159 HydrophobicContact CE2-CB 4.34Å; Y108-P159 HydrophobicContact CG-CB 4.29Å |
| 109 | Q | 77 | Confident | 88.4 | Confident | 35 Ų | 35 | 69.6 Ų | 69.6 | 16% | 0.164 | 34% | 0.338 | C | S | . | . | trans | -92.4 | 139.7 | 176.3 | 179.2 | 157.2 | 4.1 | 0 | 0 | 109.2 | S106 T111 T120 P122 | S106-Q109 VanDerWaalsContact OG-CB 3.25Å; S106-Q109 WeakPolarHBondContact OG-CB 3.4Å; S106-Q109 PolarHBondContact OG-OE1 2.99Å; S106-Q109 VanDerWaalsContact OG-OE1 3.09Å; Q109-T111 WeakPolarHBondContact CG-O 3.47Å; Q109-T111 PolarHBondContact NE2-O 2.81Å; Q109-T120 VanDerWaalsContact NE2-CB 3.34Å; Q109-T120 PolarHBondContact NE2-OG1 3.44Å; Q109-T120 VanDerWaalsContact OE1-CB 3.31Å; Q109-P122 WeakPolarHBondContact O-CB 3.4Å | ||
| 110 | S | 81.1 | Confident | 88.1 | Confident | 109 Ų | 109 | 68.7 Ų | 68.7 | 76% | 0.762 | 33% | 0.333 | S | S | * | . | trans | -103.5 | -23.6 | -179.1 | -48 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 111 | T | 82.6 | Confident | 88 | Confident | 78 Ų | 78 | 61.8 Ų | 61.8 | 48% | 0.479 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -130.3 | 140.7 | -173.2 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | Q109 | Q109-T111 WeakPolarHBondContact CG-O 3.47Å; Q109-T111 PolarHBondContact NE2-O 2.81Å |
| 112 | T | 89.6 | Confident | 87.8 | Confident | 85 Ų | 85 | 62.8 Ų | 62.8 | 52% | 0.521 | 32% | 0.318 | S | S | . | . | trans | -72.1 | 132 | 171.3 | -58.5 | 0 | 0 | 0 | 0 | 109.7 | V114 T120 M121 P122 | T112-V114 HydrophobicContact CG2-CG2 4.37Å; T112-T120 CarbonylContact C-O 3.58Å; T112-T120 VanDerWaalsContact CA-O 3.3Å; T112-T120 WeakPolarHBondContact CA-O 3.26Å; T112-M121 HydrophobicContact CG2-CB 4.23Å; T112-P122 VanDerWaalsContact OG1-CD 3.3Å; T112-P122 WeakPolarHBondContact OG1-CD 3.38Å | ||
| 113 | R | 89.4 | Confident | 87.5 | Confident | 154 Ų | 154 | 59.4 Ų | 59.4 | 58% | 0.581 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 122.9 | 174.4 | -52 | -178.1 | -179.3 | -158.1 | 1.9 | 109.3 | C119 T120 | R113-C119 WeakPolarHBondContact O-CA 3.49Å; R113-T120 WeakPolarHBondContact CB-OG1 3.44Å; R113-T120 PolarHBondContact N-O 3.49Å; R113-T120 PolarHBondContact O-N 2.56Å; R113-T120 PolarHBondContact O-OG1 2.76Å |
| 114 | V | 93.4 | Very high | 87.2 | Confident | 79 Ų | 79 | 70.9 Ų | 70.9 | 48% | 0.479 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 113 | 178.3 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | T112 A143 Y144 | T112-V114 HydrophobicContact CG2-CG2 4.37Å; V114-A143 HydrophobicContact CG1-CB 4.16Å; V114-A143 HydrophobicContact CG2-CB 4.36Å; V114-Y144 HydrophobicContact CG1-CD1 4.42Å; V114-Y144 HydrophobicContact CG1-CE1 3.83Å |
| 115 | K | 92.3 | Very high | 87 | Confident | 133 Ų | 133 | 68.7 Ų | 68.7 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | trans | -108.2 | 161.7 | 167.8 | -63.6 | -175.6 | 176.6 | -175.4 | 0 | 108.6 | F117 I118 Y144 | K115-F117 VanDerWaalsContact C-N 3.33Å; K115-F117 PolarHBondContact O-N 3.39Å; K115-I118 CarbonylContact C-O 3.58Å; K115-I118 WeakPolarHBondContact CA-O 3.26Å; K115-I118 HydrophobicContact CB-CG2 3.81Å; K115-I118 WeakPolarHBondContact CB-O 3.27Å; K115-I118 HydrophobicContact CD-CG2 4Å; K115-I118 HydrophobicContact CG-CG2 4.33Å; K115-I118 PolarHBondContact N-O 3.27Å; K115-I118 PolarHBondContact O-N 2.99Å; K115-I118 VanDerWaalsContact O-O 3.04Å; K115-Y144 VanDerWaalsContact O-CE1 3.29Å; K115-Y144 WeakPolarHBondContact O-CE1 3.2Å; K115-Y144 PolarHBondContact O-OH 2.99Å | ||
| 116 | P | 90.3 | Very high | 87 | Confident | 88 Ų | 88 | 74.5 Ų | 74.5 | 57% | 0.571 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -48.5 | -49.9 | -178 | -31 | 36.3 | 0 | 0 | 0 | 113.3 | R101 Y144 | R101-P116 WeakPolarHBondContact CD-O 3.28Å; R101-P116 PolarHBondContact NH1-O 2.96Å; P116-Y144 WeakPolarHBondContact O-CE1 3.33Å |
| 117 | F | 91.2 | Very high | 87.1 | Confident | 142 Ų | 142 | 79.3 Ų | 79.3 | 62% | 0.623 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -101.9 | -8.1 | -175.9 | -53.2 | -64.7 | 0 | 0 | 0 | 114.7 | V99 R102 K115 | V99-F117 HydrophobicContact CG1-CD1 4.19Å; V99-F117 HydrophobicContact CG1-CE1 4.1Å; R102-F117 WeakPolarHBondContact CB-O 3.37Å; R102-F117 PolarHBondContact N-O 2.84Å; K115-F117 VanDerWaalsContact C-N 3.33Å; K115-F117 PolarHBondContact O-N 3.39Å |
| 118 | I | 89.5 | Confident | 87.3 | Confident | 39 Ų | 39 | 78.3 Ų | 78.3 | 20% | 0.2 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 130.1 | -175.6 | -171.7 | 175 | 0 | 0 | 0 | 111.7 | R102 K115 T120 Y144 | R102-I118 HydrophobicContact CB-CB 4.33Å; R102-I118 HydrophobicContact CB-CG1 4.22Å; R102-I118 HydrophobicContact CG-CD1 4.48Å; R102-I118 HydrophobicContact CG-CG1 4.24Å; R102-I118 CarbonylContact O-C 3.59Å; R102-I118 VanDerWaalsContact O-CA 3.26Å; R102-I118 WeakPolarHBondContact O-CA 3.22Å; K115-I118 CarbonylContact C-O 3.58Å; K115-I118 WeakPolarHBondContact CA-O 3.26Å; K115-I118 HydrophobicContact CB-CG2 3.81Å; K115-I118 WeakPolarHBondContact CB-O 3.27Å; K115-I118 HydrophobicContact CD-CG2 4Å; K115-I118 HydrophobicContact CG-CG2 4.33Å; K115-I118 PolarHBondContact N-O 3.27Å; K115-I118 PolarHBondContact O-N 2.99Å; K115-I118 VanDerWaalsContact O-O 3.04Å; I118-T120 HydrophobicContact CD1-CG2 3.93Å; I118-T120 HydrophobicContact CG1-CG2 4.02Å; I118-Y144 PolarHBondContact N-OH 2.79Å |
| 119 | C | 91.2 | Very high | 87.9 | Confident | 5 Ų | 5 | 75.7 Ų | 75.7 | 3% | 0.034 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 117 | 169.6 | 176.8 | 0 | 0 | 0 | 0 | 108.1 | R102 F103 R104 R113 Y144 | R102-C119 PolarHBondContact O-N 3.33Å; F103-C119 WeakPolarHBondContact CA-O 3.27Å; F103-C119 HydrophobicContact CD1-CB 3.59Å; F103-C119 HydrophobicContact CE1-CB 3.65Å; R104-C119 PolarHBondContact N-O 3.32Å; R113-C119 WeakPolarHBondContact O-CA 3.49Å; C119-Y144 HydrophobicContact CB-CE2 4.43Å; C119-Y144 PolarHBondContact N-OH 2.97Å |
| 120 | T | 88.7 | Confident | 88.5 | Confident | 22 Ų | 22 | 74.7 Ų | 74.7 | 14% | 0.135 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.1 | 177.4 | 60.2 | 0 | 0 | 0 | 0 | 108.9 | R104 Q109 T112 R113 I118 | R104-T120 HydrophobicContact CB-CG2 4.32Å; R104-T120 CarbonylContact O-C 3.51Å; R104-T120 VanDerWaalsContact O-CA 3.28Å; R104-T120 WeakPolarHBondContact O-CA 3.45Å; Q109-T120 VanDerWaalsContact NE2-CB 3.34Å; Q109-T120 PolarHBondContact NE2-OG1 3.44Å; Q109-T120 VanDerWaalsContact OE1-CB 3.31Å; T112-T120 CarbonylContact C-O 3.58Å; T112-T120 VanDerWaalsContact CA-O 3.3Å; T112-T120 WeakPolarHBondContact CA-O 3.26Å; R113-T120 WeakPolarHBondContact CB-OG1 3.44Å; R113-T120 PolarHBondContact N-O 3.49Å; R113-T120 PolarHBondContact O-N 2.56Å; R113-T120 PolarHBondContact O-OG1 2.76Å; I118-T120 HydrophobicContact CD1-CG2 3.93Å; I118-T120 HydrophobicContact CG1-CG2 4.02Å |
| 121 | M | 89.9 | Confident | 88.9 | Confident | 13 Ų | 13 | 71.5 Ų | 71.5 | 6% | 0.064 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 147.8 | -174.8 | 64.7 | -163.4 | 114.9 | 0 | 0 | 112.4 | F103 R104 A105 S106 T112 F134 F139 | F103-M121 HydrophobicContact CB-CE 3.68Å; F103-M121 HydrophobicContact CD1-CE 3.5Å; F103-M121 VanDerWaalsContact CD1-CE 3.5Å; F103-M121 HydrophobicContact CG-CE 4Å; R104-M121 PolarHBondContact O-N 2.88Å; A105-M121 VanDerWaalsContact CA-O 3.32Å; A105-M121 WeakPolarHBondContact CA-O 3.35Å; A105-M121 HydrophobicContact CB-CG 3.94Å; S106-M121 PolarHBondContact N-O 2.88Å; S106-M121 VanDerWaalsContact N-O 3.09Å; T112-M121 HydrophobicContact CG2-CB 4.23Å; M121-F134 HydrophobicContact CE-CE1 3.44Å; M121-F134 VanDerWaalsContact CE-CE1 3.44Å; M121-F134 HydrophobicContact CE-CZ 3.41Å; M121-F134 VanDerWaalsContact CE-CZ 3.41Å; M121-F134 HydrophobicContact CG-CZ 4.15Å; M121-F134 HydrophobicContact SD-CE1 3.91Å; M121-F134 HydrophobicContact SD-CE2 4.34Å; M121-F134 HydrophobicContact SD-CZ 3.37Å; M121-F134 WeakPolarHBondContact SD-CZ 3.31Å; M121-F139 HydrophobicContact SD-CD1 4.49Å; M121-F139 HydrophobicContact SD-CE1 4.25Å; M121-F139 HydrophobicContact SD-CE2 4.48Å; M121-F139 HydrophobicContact SD-CZ 4.24Å |
| 122 | P | 88.7 | Confident | 89.2 | Confident | 53 Ų | 53 | 68.9 Ų | 68.9 | 34% | 0.344 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 146.7 | 175.4 | 32.5 | -36.6 | 0 | 0 | 0 | 110.3 | S106 Q109 T112 | S106-P122 CarbonylContact O-C 3.41Å; S106-P122 WeakPolarHBondContact O-CA 3.11Å; Q109-P122 WeakPolarHBondContact O-CB 3.4Å; T112-P122 VanDerWaalsContact OG1-CD 3.3Å; T112-P122 WeakPolarHBondContact OG1-CD 3.38Å |
| 123 | M | 86 | Confident | 89.3 | Confident | 21 Ų | 21 | 68.8 Ų | 68.8 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | trans | -123 | 144.7 | 162.7 | 84.8 | 176.9 | 78.5 | 0 | 0 | 109.4 | F87 F89 A105 S106 N107 L125 I132 | F87-M123 HydrophobicContact CD1-CE 3.84Å; F87-M123 HydrophobicContact CD1-SD 3.84Å; F87-M123 HydrophobicContact CE1-CE 4.09Å; F87-M123 HydrophobicContact CE1-SD 4.24Å; F89-M123 HydrophobicContact CD1-CE 3.53Å; F89-M123 HydrophobicContact CE1-CE 3.52Å; F89-M123 HydrophobicContact CE1-SD 4.34Å; A105-M123 HydrophobicContact CB-CE 3.72Å; A105-M123 WeakPolarHBondContact O-CE 3.03Å; S106-M123 PolarHBondContact O-N 3.25Å; N107-M123 WeakPolarHBondContact CA-O 3.39Å; N107-M123 HydrophobicContact CB-CG 3.79Å; N107-M123 HydrophobicContact CB-SD 4.48Å; M123-L125 HydrophobicContact CG-CD2 4.41Å; M123-L125 HydrophobicContact CG-CG 4.17Å; M123-L125 HydrophobicContact SD-CD1 3.96Å; M123-L125 HydrophobicContact SD-CD2 3.88Å; M123-L125 HydrophobicContact SD-CG 3.95Å; M123-I132 HydrophobicContact SD-CD1 4.05Å | ||
| 124 | R | 84.8 | Confident | 89.4 | Confident | 241 Ų | 241 | 62.1 Ų | 62.1 | 91% | 0.909 | 31% | 0.31 | S | S | * | . | trans | -107.4 | 136.2 | 166.8 | -66.5 | -175.9 | -179.2 | 176.4 | 0.1 | 107.7 | ||||
| 125 | L | 85.5 | Confident | 89.5 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 14% | 0.136 | 30% | 0.298 | C | S | . | . | trans | -122.4 | 129.4 | 175.9 | -60.8 | 175.4 | 0 | 0 | 0 | 106.9 | I80 N82 F87 N107 M123 N130 I132 | I80-L125 HydrophobicContact CD1-CD1 4.01Å; I80-L125 HydrophobicContact CD1-CD2 4.16Å; N82-L125 HydrophobicContact CB-CB 3.96Å; N82-L125 HydrophobicContact CB-CD1 4.41Å; N82-L125 PolarHBondContact ND2-O 3.27Å; F87-L125 HydrophobicContact CD1-CD1 4.37Å; N107-L125 HydrophobicContact CB-CD1 4.43Å; M123-L125 HydrophobicContact CG-CD2 4.41Å; M123-L125 HydrophobicContact CG-CG 4.17Å; M123-L125 HydrophobicContact SD-CD1 3.96Å; M123-L125 HydrophobicContact SD-CD2 3.88Å; M123-L125 HydrophobicContact SD-CG 3.95Å; L125-N130 HydrophobicContact CD2-CB 4.26Å; L125-I132 HydrophobicContact CD2-CD1 3.6Å; L125-I132 HydrophobicContact CD2-CG1 3.91Å | ||
| 126 | D | 88.3 | Confident | 89.5 | Confident | 123 Ų | 123 | 54 Ų | 54 | 66% | 0.658 | 27% | 0.27 | S | S | * | . | trans | -73.2 | 167.4 | 172 | -61.6 | -42.5 | 0 | 0 | 0 | 109.7 | N82 N130 | N82-D126 WeakPolarHBondContact CB-O 3.27Å; N82-D126 PolarHBondContact ND2-O 2.96Å; D126-N130 PolarHBondContact N-OD1 2.71Å; D126-N130 PolarHBondContact O-ND2 3.29Å | ||
| 127 | D | 86.2 | Confident | 89.7 | Confident | 100 Ų | 100 | 51.8 Ų | 51.8 | 54% | 0.535 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -68.3 | 138.1 | 175.1 | -80 | -31.7 | 0 | 0 | 0 | 110.6 | R84 | R84-D127 IonicContact CZ-OD1 3.63Å; R84-D127 IonicContact CZ-OD2 3.55Å; R84-D127 IonicContact NE-OD1 2.85Å; R84-D127 PolarHBondContact NE-OD1 2.93Å; R84-D127 IonicContact NE-OD2 3.55Å; R84-D127 IonicContact NH2-OD1 3.53Å; R84-D127 IonicContact NH2-OD2 2.73Å; R84-D127 PolarHBondContact NH2-OD2 3.14Å |
| 128 | G | 88.8 | Confident | 89.8 | Confident | 21 Ų | 21 | 46.7 Ų | 46.7 | 22% | 0.216 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 85 | -141.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K81 N82 N130 | K81-G128 CarbonylContact C-O 3.59Å; K81-G128 WeakPolarHBondContact CA-O 3.37Å; N82-G128 PolarHBondContact N-O 2.82Å; G128-N130 PolarHBondContact O-ND2 3.18Å |
| 129 | W | 91 | Very high | 90 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 130.7 | -173.7 | -78.7 | 97.2 | 0 | 0 | 0 | 112.1 | D39 I42 V46 I79 K81 R190 R192 L212 | D39-W129 HydrophobicContact CB-CZ2 4.12Å; D39-W129 PolarHBondContact OD1-NE1 2.84Å; D39-W129 VanDerWaalsContact OD1-NE1 3.11Å; I42-W129 HydrophobicContact CD1-CH2 3.99Å; I42-W129 HydrophobicContact CD1-CZ2 3.52Å; I42-W129 HydrophobicContact CG1-CZ2 3.97Å; I42-W129 HydrophobicContact CG2-CD2 4.3Å; I42-W129 HydrophobicContact CG2-CG 4.23Å; V46-W129 HydrophobicContact CB-CH2 4.1Å; V46-W129 HydrophobicContact CB-CZ2 4.47Å; V46-W129 HydrophobicContact CG1-CH2 3.48Å; V46-W129 VanDerWaalsContact CG1-CH2 3.48Å; V46-W129 HydrophobicContact CG1-CZ2 3.67Å; I79-W129 HydrophobicContact CG2-CE3 3.77Å; I79-W129 HydrophobicContact CG2-CZ3 3.96Å; K81-W129 HydrophobicContact CB-CD2 3.95Å; K81-W129 HydrophobicContact CB-CE3 4.09Å; K81-W129 HydrophobicContact CB-CH2 4.1Å; K81-W129 HydrophobicContact CB-CZ2 3.98Å; K81-W129 HydrophobicContact CB-CZ3 4.17Å; K81-W129 HydrophobicContact CD-CZ2 4.17Å; K81-W129 HydrophobicContact CG-CD2 4.21Å; K81-W129 HydrophobicContact CG-CG 4.32Å; K81-W129 HydrophobicContact CG-CZ2 4.47Å; W129-R190 HydrophobicContact CH2-CB 4.38Å; W129-R192 HydrophobicContact CH2-CB 3.84Å; W129-R192 HydrophobicContact CZ3-CB 3.65Å; W129-L212 HydrophobicContact CB-CD1 3.68Å; W129-L212 HydrophobicContact CB-CD2 3.68Å; W129-L212 HydrophobicContact CB-CG 4.18Å; W129-L212 HydrophobicContact CD2-CD1 4.02Å; W129-L212 HydrophobicContact CE3-CD1 3.93Å; W129-L212 HydrophobicContact CG-CD1 3.94Å |
| 130 | N | 89.6 | Confident | 90.2 | Very high | 14 Ų | 14 | 47.2 Ų | 47.2 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 138 | -175.9 | -70.7 | -102 | 0 | 0 | 0 | 110.2 | I79 I80 L125 D126 G128 | I79-N130 WeakPolarHBondContact CA-O 3.34Å; I80-N130 HydrophobicContact CG1-CB 4.46Å; I80-N130 PolarHBondContact N-O 2.82Å; I80-N130 PolarHBondContact O-N 2.8Å; L125-N130 HydrophobicContact CD2-CB 4.26Å; D126-N130 PolarHBondContact N-OD1 2.71Å; D126-N130 PolarHBondContact O-ND2 3.29Å; G128-N130 PolarHBondContact O-ND2 3.18Å |
| 131 | Q | 89.9 | Confident | 90.5 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 20% | 0.201 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 101.5 | 168.9 | -179.4 | 171.2 | -23.4 | 0 | 0 | 109.6 | V77 M78 Q133 E203 | V77-Q131 HydrophobicContact CG1-CG 3.64Å; M78-Q131 WeakPolarHBondContact O-CA 3.31Å; Q131-Q133 HydrophobicContact CG-CG 4.29Å; Q131-E203 PolarHBondContact OE1-OE1 2.92Å |
| 132 | I | 89.5 | Confident | 90.7 | Very high | 22 Ų | 22 | 61.6 Ų | 61.6 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 125.1 | 177.6 | -54.2 | 172.5 | 0 | 0 | 0 | 108.2 | V77 M78 I80 F89 M123 L125 F134 | V77-I132 CarbonylContact C-O 3.58Å; V77-I132 VanDerWaalsContact CA-O 3.28Å; V77-I132 WeakPolarHBondContact CA-O 3.39Å; M78-I132 HydrophobicContact CE-CD1 4.4Å; M78-I132 PolarHBondContact N-O 3.34Å; M78-I132 PolarHBondContact O-N 3.5Å; I80-I132 HydrophobicContact CD1-CD1 3.46Å; I80-I132 VanDerWaalsContact CD1-CD1 3.46Å; I80-I132 HydrophobicContact CD1-CG1 4.47Å; I80-I132 HydrophobicContact CG1-CD1 3.89Å; I80-I132 HydrophobicContact CG1-CG1 4.43Å; F89-I132 HydrophobicContact CE1-CD1 4.45Å; F89-I132 HydrophobicContact CZ-CG2 4.49Å; M123-I132 HydrophobicContact SD-CD1 4.05Å; L125-I132 HydrophobicContact CD2-CD1 3.6Å; L125-I132 HydrophobicContact CD2-CG1 3.91Å; I132-F134 HydrophobicContact CG2-CD2 4.11Å |
| 133 | Q | 91.4 | Very high | 90.9 | Very high | 84 Ų | 84 | 60.2 Ų | 60.2 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127 | 176.2 | -57 | 175.1 | 15.3 | 0 | 0 | 109.1 | V77 Q131 L200 | V77-Q133 HydrophobicContact CG1-CG 4.2Å; V77-Q133 HydrophobicContact CG2-CG 4.28Å; Q131-Q133 HydrophobicContact CG-CG 4.29Å; Q133-L200 HydrophobicContact CB-CD2 4.05Å; Q133-L200 HydrophobicContact CG-CD2 4.35Å |
| 134 | F | 91.8 | Very high | 91.3 | Very high | 14 Ų | 14 | 61 Ų | 61 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 108.7 | -172.7 | -127.7 | -107.9 | 0 | 0 | 0 | 110 | F75 L76 F89 F103 A105 M121 I132 L136 F139 | F75-F134 CarbonylContact C-O 3.39Å; F75-F134 WeakPolarHBondContact CA-O 3.16Å; L76-F134 HydrophobicContact CB-CB 4.06Å; L76-F134 PolarHBondContact N-O 2.77Å; L76-F134 WeakPolarHBondContact O-CB 2.69Å; L76-F134 PolarHBondContact O-N 3.09Å; F89-F134 HydrophobicContact CE1-CE2 4.47Å; F89-F134 HydrophobicContact CE2-CD1 4.4Å; F89-F134 HydrophobicContact CE2-CD2 4.36Å; F89-F134 HydrophobicContact CE2-CE1 4.39Å; F89-F134 HydrophobicContact CE2-CE2 4.35Å; F89-F134 HydrophobicContact CE2-CG 4.37Å; F89-F134 HydrophobicContact CE2-CZ 4.33Å; F89-F134 HydrophobicContact CZ-CD1 4.5Å; F89-F134 AromaticContact CZ-CD2 3.71Å; F89-F134 HydrophobicContact CZ-CD2 3.71Å; F89-F134 HydrophobicContact CZ-CE1 4.39Å; F89-F134 AromaticContact CZ-CE2 3.58Å; F89-F134 HydrophobicContact CZ-CE2 3.58Å; F89-F134 HydrophobicContact CZ-CG 4.15Å; F89-F134 AromaticContact CZ-CZ 3.92Å; F89-F134 HydrophobicContact CZ-CZ 3.92Å; F103-F134 HydrophobicContact CB-CE1 4.44Å; A105-F134 HydrophobicContact CB-CE2 4.04Å; A105-F134 HydrophobicContact CB-CZ 3.8Å; M121-F134 HydrophobicContact CE-CE1 3.44Å; M121-F134 VanDerWaalsContact CE-CE1 3.44Å; M121-F134 HydrophobicContact CE-CZ 3.41Å; M121-F134 VanDerWaalsContact CE-CZ 3.41Å; M121-F134 HydrophobicContact CG-CZ 4.15Å; M121-F134 HydrophobicContact SD-CE1 3.91Å; M121-F134 HydrophobicContact SD-CE2 4.34Å; M121-F134 HydrophobicContact SD-CZ 3.37Å; M121-F134 WeakPolarHBondContact SD-CZ 3.31Å; I132-F134 HydrophobicContact CG2-CD2 4.11Å; F134-L136 HydrophobicContact CD1-CD2 3.97Å; F134-L136 PolarHBondContact O-N 2.79Å; F134-L136 VanDerWaalsContact O-N 3.16Å; F134-F139 AromaticContact CD1-CD2 3.59Å; F134-F139 HydrophobicContact CD1-CD2 3.59Å; F134-F139 AromaticContact CD1-CE2 3.44Å; F134-F139 HydrophobicContact CD1-CE2 3.44Å; F134-F139 VanDerWaalsContact CD1-CE2 3.44Å; F134-F139 AromaticContact CD2-CE2 3.95Å; F134-F139 HydrophobicContact CD2-CE2 3.95Å; F134-F139 AromaticContact CE1-CD2 3.58Å; F134-F139 HydrophobicContact CE1-CD2 3.58Å; F134-F139 AromaticContact CE1-CE2 3.44Å; F134-F139 HydrophobicContact CE1-CE2 3.44Å; F134-F139 VanDerWaalsContact CE1-CE2 3.44Å; F134-F139 HydrophobicContact CE1-CZ 4.37Å; F134-F139 AromaticContact CE2-CE2 3.94Å; F134-F139 HydrophobicContact CE2-CE2 3.94Å; F134-F139 HydrophobicContact CE2-CZ 4.38Å; F134-F139 HydrophobicContact CG-CD2 4.29Å; F134-F139 AromaticContact CG-CE2 3.72Å; F134-F139 HydrophobicContact CG-CE2 3.72Å; F134-F139 HydrophobicContact CZ-CD2 4.27Å; F134-F139 AromaticContact CZ-CE2 3.71Å; F134-F139 HydrophobicContact CZ-CE2 3.71Å; F134-F139 HydrophobicContact CZ-CZ 4.26Å |
| 135 | N | 94.2 | Very high | 91.8 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 23% | 0.225 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 89.8 | 176 | -170.6 | -17.9 | 0 | 0 | 0 | 109.9 | F75 S137 D138 F139 | F75-N135 HydrophobicContact CD1-CB 3.92Å; F75-N135 HydrophobicContact CE1-CB 3.67Å; F75-N135 VanDerWaalsContact CE1-CG 3.42Å; F75-N135 VanDerWaalsContact CE1-ND2 3.34Å; F75-N135 WeakPolarHBondContact CE1-ND2 3.5Å; N135-S137 PolarHBondContact O-N 2.81Å; N135-S137 PolarHBondContact OD1-N 3.5Å; N135-S137 PolarHBondContact OD1-OG 3.04Å; N135-D138 HydrophobicContact CB-CB 4.12Å; N135-D138 VanDerWaalsContact CG-CB 3.42Å; N135-D138 WeakPolarHBondContact ND2-CB 3.22Å; N135-D138 PolarHBondContact O-N 2.83Å; N135-D138 PolarHBondContact OD1-N 2.92Å; N135-F139 WeakPolarHBondContact O-CB 3.49Å; N135-F139 WeakPolarHBondContact O-CD2 3.47Å; N135-F139 WeakPolarHBondContact O-CG 3.49Å; N135-F139 PolarHBondContact O-N 2.72Å |
| 136 | L | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.3 | -33.9 | -178.5 | -62.3 | 170.9 | 0 | 0 | 0 | 111.6 | P74 L76 V91 V93 F134 T140 Y148 T151 F196 | P74-L136 WeakPolarHBondContact O-CB 3.4Å; P74-L136 PolarHBondContact O-N 3.24Å; L76-L136 HydrophobicContact CB-CD1 4.11Å; L76-L136 HydrophobicContact CB-CG 4.43Å; V91-L136 HydrophobicContact CB-CD2 4.3Å; V91-L136 HydrophobicContact CG1-CD1 4.18Å; V91-L136 HydrophobicContact CG1-CD2 3.94Å; V93-L136 HydrophobicContact CG1-CD1 4.36Å; V93-L136 HydrophobicContact CG1-CD2 4.13Å; F134-L136 HydrophobicContact CD1-CD2 3.97Å; F134-L136 PolarHBondContact O-N 2.79Å; F134-L136 VanDerWaalsContact O-N 3.16Å; L136-T140 WeakPolarHBondContact O-CB 3.24Å; L136-T140 PolarHBondContact O-N 3.09Å; L136-T140 PolarHBondContact O-OG1 2.81Å; L136-Y148 HydrophobicContact CB-CD2 3.91Å; L136-Y148 HydrophobicContact CB-CE2 3.85Å; L136-Y148 HydrophobicContact CD1-CE2 4.06Å; L136-T151 VanDerWaalsContact CD1-OG1 3.27Å; L136-T151 WeakPolarHBondContact CD1-OG1 3.3Å; L136-F196 HydrophobicContact CD1-CE1 3.98Å |
| 137 | S | 93.3 | Very high | 92.6 | Very high | 40 Ų | 40 | 48.8 Ų | 48.8 | 28% | 0.28 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.5 | -48.1 | 180 | 73.2 | 0 | 0 | 0 | 0 | 112.6 | N135 T140 R141 | N135-S137 PolarHBondContact O-N 2.81Å; N135-S137 PolarHBondContact OD1-N 3.5Å; N135-S137 PolarHBondContact OD1-OG 3.04Å; S137-T140 PolarHBondContact O-N 3.1Å; S137-R141 PolarHBondContact O-N 2.72Å; S137-R141 VanDerWaalsContact O-N 3.14Å |
| 138 | D | 94.9 | Very high | 93 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 19% | 0.193 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.3 | -38.6 | -179.8 | 166.3 | 87.8 | 0 | 0 | 0 | 111.7 | N135 T140 R141 R142 | N135-D138 HydrophobicContact CB-CB 4.12Å; N135-D138 VanDerWaalsContact CG-CB 3.42Å; N135-D138 WeakPolarHBondContact ND2-CB 3.22Å; N135-D138 PolarHBondContact O-N 2.83Å; N135-D138 PolarHBondContact OD1-N 2.92Å; D138-T140 VanDerWaalsContact C-N 3.31Å; D138-T140 PolarHBondContact O-N 3.01Å; D138-R141 PolarHBondContact O-N 2.7Å; D138-R142 VanDerWaalsContact CG-CZ 3.41Å; D138-R142 VanDerWaalsContact CG-NE 3.25Å; D138-R142 VanDerWaalsContact CG-NH2 3.26Å; D138-R142 WeakPolarHBondContact O-CB 3.32Å; D138-R142 WeakPolarHBondContact O-CG 3.3Å; D138-R142 PolarHBondContact O-N 2.84Å; D138-R142 IonicContact OD1-CZ 3.98Å; D138-R142 VanDerWaalsContact OD1-CZ 3.23Å; D138-R142 IonicContact OD1-NE 3.1Å; D138-R142 PolarHBondContact OD1-NE 3.05Å; D138-R142 VanDerWaalsContact OD1-NE 3.15Å; D138-R142 IonicContact OD1-NH1 3.18Å; D138-R142 IonicContact OD1-NH2 3.94Å; D138-R142 PolarHBondContact OD1-NH2 2.98Å; D138-R142 IonicContact OD2-CZ 3.56Å; D138-R142 IonicContact OD2-NE 3Å; D138-R142 PolarHBondContact OD2-NE 2.9Å; D138-R142 IonicContact OD2-NH2 3.23Å; D138-R142 PolarHBondContact OD2-NH2 2.82Å |
| 139 | F | 93.6 | Very high | 93.3 | Very high | 54 Ų | 54 | 47.2 Ų | 47.2 | 24% | 0.237 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -38.4 | 173.8 | -72.6 | -46.6 | 0 | 0 | 0 | 112.7 | F103 M121 F134 N135 A143 | F103-F139 HydrophobicContact CD1-CB 4.37Å; F103-F139 HydrophobicContact CE1-CB 3.9Å; F103-F139 HydrophobicContact CZ-CB 4.04Å; M121-F139 HydrophobicContact SD-CD1 4.49Å; M121-F139 HydrophobicContact SD-CE1 4.25Å; M121-F139 HydrophobicContact SD-CE2 4.48Å; M121-F139 HydrophobicContact SD-CZ 4.24Å; F134-F139 AromaticContact CD1-CD2 3.59Å; F134-F139 HydrophobicContact CD1-CD2 3.59Å; F134-F139 AromaticContact CD1-CE2 3.44Å; F134-F139 HydrophobicContact CD1-CE2 3.44Å; F134-F139 VanDerWaalsContact CD1-CE2 3.44Å; F134-F139 AromaticContact CD2-CE2 3.95Å; F134-F139 HydrophobicContact CD2-CE2 3.95Å; F134-F139 AromaticContact CE1-CD2 3.58Å; F134-F139 HydrophobicContact CE1-CD2 3.58Å; F134-F139 AromaticContact CE1-CE2 3.44Å; F134-F139 HydrophobicContact CE1-CE2 3.44Å; F134-F139 VanDerWaalsContact CE1-CE2 3.44Å; F134-F139 HydrophobicContact CE1-CZ 4.37Å; F134-F139 AromaticContact CE2-CE2 3.94Å; F134-F139 HydrophobicContact CE2-CE2 3.94Å; F134-F139 HydrophobicContact CE2-CZ 4.38Å; F134-F139 HydrophobicContact CG-CD2 4.29Å; F134-F139 AromaticContact CG-CE2 3.72Å; F134-F139 HydrophobicContact CG-CE2 3.72Å; F134-F139 HydrophobicContact CZ-CD2 4.27Å; F134-F139 AromaticContact CZ-CE2 3.71Å; F134-F139 HydrophobicContact CZ-CE2 3.71Å; F134-F139 HydrophobicContact CZ-CZ 4.26Å; N135-F139 WeakPolarHBondContact O-CB 3.49Å; N135-F139 WeakPolarHBondContact O-CD2 3.47Å; N135-F139 WeakPolarHBondContact O-CG 3.49Å; N135-F139 PolarHBondContact O-N 2.72Å; F139-A143 WeakPolarHBondContact O-CB 3.38Å; F139-A143 PolarHBondContact O-N 2.94Å |
| 140 | T | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.7 | -44 | 175.7 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | D95 L136 S137 D138 Y144 T146 | D95-T140 HydrophobicContact CB-CG2 4.08Å; L136-T140 WeakPolarHBondContact O-CB 3.24Å; L136-T140 PolarHBondContact O-N 3.09Å; L136-T140 PolarHBondContact O-OG1 2.81Å; S137-T140 PolarHBondContact O-N 3.1Å; D138-T140 VanDerWaalsContact C-N 3.31Å; D138-T140 PolarHBondContact O-N 3.01Å; T140-Y144 PolarHBondContact O-N 2.82Å; T140-T146 CarbonylContact C-O 3.55Å; T140-T146 WeakPolarHBondContact CG2-OG1 3.49Å |
| 141 | R | 95.8 | Very high | 93.5 | Very high | 152 Ų | 152 | 46.5 Ų | 46.5 | 57% | 0.574 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -63.4 | -47.6 | 176.5 | -174.4 | 175.6 | -65.4 | -153 | -3.1 | 112.4 | S137 D138 G145 T146 N147 | S137-R141 PolarHBondContact O-N 2.72Å; S137-R141 VanDerWaalsContact O-N 3.14Å; D138-R141 PolarHBondContact O-N 2.7Å; R141-G145 WeakPolarHBondContact O-CA 3.11Å; R141-G145 PolarHBondContact O-N 2.63Å; R141-T146 VanDerWaalsContact CA-O 3.26Å; R141-T146 WeakPolarHBondContact CA-O 3.37Å; R141-T146 PolarHBondContact N-O 3.39Å; R141-N147 PolarHBondContact NH2-OD1 3.14Å |
| 142 | R | 93.9 | Very high | 93.5 | Very high | 185 Ų | 185 | 44.9 Ų | 44.9 | 70% | 0.698 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -70.1 | -39.1 | -177.6 | -71.1 | -160.3 | -100.1 | -141.8 | 5.9 | 113.2 | D138 | D138-R142 VanDerWaalsContact CG-CZ 3.41Å; D138-R142 VanDerWaalsContact CG-NE 3.25Å; D138-R142 VanDerWaalsContact CG-NH2 3.26Å; D138-R142 WeakPolarHBondContact O-CB 3.32Å; D138-R142 WeakPolarHBondContact O-CG 3.3Å; D138-R142 PolarHBondContact O-N 2.84Å; D138-R142 IonicContact OD1-CZ 3.98Å; D138-R142 VanDerWaalsContact OD1-CZ 3.23Å; D138-R142 IonicContact OD1-NE 3.1Å; D138-R142 PolarHBondContact OD1-NE 3.05Å; D138-R142 VanDerWaalsContact OD1-NE 3.15Å; D138-R142 IonicContact OD1-NH1 3.18Å; D138-R142 IonicContact OD1-NH2 3.94Å; D138-R142 PolarHBondContact OD1-NH2 2.98Å; D138-R142 IonicContact OD2-CZ 3.56Å; D138-R142 IonicContact OD2-NE 3Å; D138-R142 PolarHBondContact OD2-NE 2.9Å; D138-R142 IonicContact OD2-NH2 3.23Å; D138-R142 PolarHBondContact OD2-NH2 2.82Å |
| 143 | A | 92.9 | Very high | 93.4 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 21% | 0.207 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -80.9 | -35 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F103 V114 F139 | F103-A143 HydrophobicContact CE1-CB 4.16Å; V114-A143 HydrophobicContact CG1-CB 4.16Å; V114-A143 HydrophobicContact CG2-CB 4.36Å; F139-A143 WeakPolarHBondContact O-CB 3.38Å; F139-A143 PolarHBondContact O-N 2.94Å |
| 144 | Y | 94.5 | Very high | 93.1 | Very high | 37 Ų | 37 | 41.7 Ų | 41.7 | 15% | 0.145 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -128.3 | -6.6 | -168 | -59.4 | -65.1 | 0 | 0 | 0 | 114.8 | R101 F103 V114 K115 P116 I118 C119 T140 T146 | R101-Y144 HydrophobicContact CB-CD2 4.28Å; R101-Y144 HydrophobicContact CB-CE2 3.81Å; R101-Y144 HydrophobicContact CG-CD2 3.84Å; R101-Y144 HydrophobicContact CG-CE2 3.8Å; R101-Y144 HydrophobicContact CG-CG 4.41Å; F103-Y144 HydrophobicContact CE1-CE2 4.07Å; F103-Y144 HydrophobicContact CZ-CD2 4.15Å; F103-Y144 AromaticContact CZ-CE2 3.79Å; F103-Y144 HydrophobicContact CZ-CE2 3.79Å; V114-Y144 HydrophobicContact CG1-CD1 4.42Å; V114-Y144 HydrophobicContact CG1-CE1 3.83Å; K115-Y144 VanDerWaalsContact O-CE1 3.29Å; K115-Y144 WeakPolarHBondContact O-CE1 3.2Å; K115-Y144 PolarHBondContact O-OH 2.99Å; P116-Y144 WeakPolarHBondContact O-CE1 3.33Å; I118-Y144 PolarHBondContact N-OH 2.79Å; C119-Y144 HydrophobicContact CB-CE2 4.43Å; C119-Y144 PolarHBondContact N-OH 2.97Å; T140-Y144 PolarHBondContact O-N 2.82Å; Y144-T146 WeakPolarHBondContact CB-OG1 3.28Å; Y144-T146 PolarHBondContact O-N 2.84Å |
| 145 | G | 94.8 | Very high | 92.8 | Very high | 62 Ų | 62 | 42.8 Ų | 42.8 | 64% | 0.639 | 22% | 0.215 | S | C | * | . | S | Bend | trans | 64.7 | 22.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R141 | R141-G145 WeakPolarHBondContact O-CA 3.11Å; R141-G145 PolarHBondContact O-N 2.63Å |
| 146 | T | 95.6 | Very high | 92 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | trans | -117.7 | 162.5 | -179.4 | 52.7 | 0 | 0 | 0 | 0 | 111.1 | D95 D96 K97 T140 R141 Y144 | D95-T146 WeakPolarHBondContact CB-OG1 3.45Å; D95-T146 PolarHBondContact OD2-OG1 2.85Å; D96-T146 VanDerWaalsContact OD1-CB 3.24Å; D96-T146 WeakPolarHBondContact OD1-CB 3.31Å; K97-T146 HydrophobicContact CD-CG2 3.65Å; K97-T146 HydrophobicContact CG-CG2 3.97Å; T140-T146 CarbonylContact C-O 3.55Å; T140-T146 WeakPolarHBondContact CG2-OG1 3.49Å; R141-T146 VanDerWaalsContact CA-O 3.26Å; R141-T146 WeakPolarHBondContact CA-O 3.37Å; R141-T146 PolarHBondContact N-O 3.39Å; Y144-T146 WeakPolarHBondContact CB-OG1 3.28Å; Y144-T146 PolarHBondContact O-N 2.84Å | ||
| 147 | N | 95.9 | Very high | 90.9 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 38% | 0.38 | 21% | 0.211 | S | C | . | . | trans | -92.4 | 144.5 | 176.3 | -60.3 | -67.7 | 0 | 0 | 0 | 111.2 | D95 D96 R141 | D95-N147 CarbonylContact C-O 3.5Å; D95-N147 VanDerWaalsContact CA-O 3.24Å; D95-N147 WeakPolarHBondContact CA-O 3.29Å; D96-N147 HydrophobicContact CB-CB 4.26Å; D96-N147 PolarHBondContact N-O 3.45Å; D96-N147 PolarHBondContact OD1-N 2.91Å; D96-N147 WeakPolarHBondContact OD2-CB 3.45Å; D96-N147 PolarHBondContact OD2-N 2.94Å; D96-N147 VanDerWaalsContact OD2-N 3.15Å; D96-N147 PolarHBondContact OD2-ND2 2.97Å; R141-N147 PolarHBondContact NH2-OD1 3.14Å | ||
| 148 | Y | 94.4 | Very high | 89.4 | Confident | 29 Ų | 29 | 39.8 Ų | 39.8 | 11% | 0.114 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 131.1 | 172.8 | 167.7 | -94.5 | 0 | 0 | 0 | 110.6 | I71 L73 V93 L136 E150 T151 | I71-Y148 PolarHBondContact O-OH 3.44Å; L73-Y148 PolarHBondContact O-OH 3.33Å; V93-Y148 HydrophobicContact CB-CD2 4Å; V93-Y148 HydrophobicContact CB-CE2 4.01Å; V93-Y148 HydrophobicContact CG1-CD2 4.03Å; V93-Y148 HydrophobicContact CG1-CE2 3.77Å; L136-Y148 HydrophobicContact CB-CD2 3.91Å; L136-Y148 HydrophobicContact CB-CE2 3.85Å; L136-Y148 HydrophobicContact CD1-CE2 4.06Å; Y148-E150 VanDerWaalsContact CE2-C 3.49Å; Y148-T151 PolarHBondContact OH-N 2.8Å; Y148-T151 PolarHBondContact OH-OG1 2.82Å |
| 149 | T | 94.4 | Very high | 87.3 | Confident | 58 Ų | 58 | 38.2 Ų | 38.2 | 36% | 0.356 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -56.6 | 177 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | L94 D95 D96 | L94-T149 WeakPolarHBondContact O-CB 3.07Å; L94-T149 PolarHBondContact O-N 2.96Å; D95-T149 VanDerWaalsContact C-OG1 3.28Å; D95-T149 PolarHBondContact O-OG1 2.95Å; D96-T149 PolarHBondContact N-OG1 3.4Å |
| 150 | E | 92.9 | Very high | 85.2 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 157 | -179.7 | 60 | 176.5 | -162.1 | 0 | 0 | 113.2 | G70 I71 K72 V93 L94 Y148 L152 | G70-E150 WeakPolarHBondContact CA-OE2 3.47Å; I71-E150 CarbonylContact O-C 3.42Å; I71-E150 WeakPolarHBondContact O-CA 3.39Å; I71-E150 VanDerWaalsContact O-CB 3.31Å; I71-E150 WeakPolarHBondContact O-CB 3.09Å; K72-E150 HydrophobicContact CG-CB 4.38Å; V93-E150 CarbonylContact C-O 3.48Å; V93-E150 WeakPolarHBondContact CA-O 3.4Å; L94-E150 HydrophobicContact CB-CG 3.96Å; L94-E150 HydrophobicContact CD2-CG 4.18Å; L94-E150 PolarHBondContact N-O 3.49Å; L94-E150 PolarHBondContact O-N 3.21Å; Y148-E150 VanDerWaalsContact CE2-C 3.49Å; E150-L152 HydrophobicContact CG-CD2 3.98Å; E150-L152 WeakPolarHBondContact OE1-CD2 2.93Å |
| 151 | T | 92.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 126.1 | 168.7 | -57.3 | 0 | 0 | 0 | 0 | 109.9 | L69 G70 I71 V91 L136 Y148 V154 F196 | L69-T151 WeakPolarHBondContact CB-O 3.34Å; L69-T151 HydrophobicContact CD1-CG2 4.48Å; G70-T151 PolarHBondContact N-O 3.15Å; I71-T151 PolarHBondContact N-O 2.82Å; I71-T151 PolarHBondContact O-N 2.97Å; V91-T151 HydrophobicContact CG1-CG2 3.63Å; L136-T151 VanDerWaalsContact CD1-OG1 3.27Å; L136-T151 WeakPolarHBondContact CD1-OG1 3.3Å; Y148-T151 PolarHBondContact OH-N 2.8Å; Y148-T151 PolarHBondContact OH-OG1 2.82Å; T151-V154 HydrophobicContact CG2-CG2 4.07Å; T151-F196 HydrophobicContact CG2-CE1 4.03Å; T151-F196 HydrophobicContact CG2-CZ 3.84Å; T151-F196 WeakPolarHBondContact OG1-CE1 3.4Å |
| 152 | L | 88.8 | Confident | 80.3 | Confident | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -40.4 | -178.7 | -59 | -179.3 | 0 | 0 | 0 | 112.1 | T68 L69 Q92 L94 R100 E150 | T68-L152 WeakPolarHBondContact CA-O 3.3Å; T68-L152 HydrophobicContact CG2-CB 4.36Å; T68-L152 HydrophobicContact CG2-CD2 4.03Å; L69-L152 PolarHBondContact N-O 2.78Å; Q92-L152 HydrophobicContact CB-CB 4.41Å; Q92-L152 HydrophobicContact CG-CB 4.37Å; Q92-L152 HydrophobicContact CG-CD1 4.33Å; Q92-L152 PolarHBondContact O-N 2.99Å; L94-L152 HydrophobicContact CB-CD1 4.1Å; L94-L152 HydrophobicContact CB-CD2 4.21Å; L94-L152 HydrophobicContact CB-CG 4.16Å; L94-L152 HydrophobicContact CD1-CD1 4.46Å; R100-L152 HydrophobicContact CG-CD1 3.87Å; E150-L152 HydrophobicContact CG-CD2 3.98Å; E150-L152 WeakPolarHBondContact OE1-CD2 2.93Å |
| 153 | R | 89.1 | Confident | 77.8 | Confident | 38 Ų | 38 | 33 Ų | 33 | 14% | 0.143 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 144.3 | -172.8 | -174.7 | 174.5 | -64.9 | -73.5 | -9.4 | 111.3 | C61 P62 D64 P65 K67 V91 Q92 | C61-R153 CarbonylContact O-C 3.57Å; C61-R153 VanDerWaalsContact O-CA 3.28Å; C61-R153 WeakPolarHBondContact O-CA 3.27Å; C61-R153 VanDerWaalsContact O-CG 3.31Å; C61-R153 WeakPolarHBondContact O-CG 3.5Å; P62-R153 PolarHBondContact O-NH1 3.42Å; D64-R153 PolarHBondContact O-NH2 3.11Å; P65-R153 PolarHBondContact O-NH2 2.98Å; K67-R153 PolarHBondContact O-NH2 3.22Å; V91-R153 WeakPolarHBondContact CA-O 3.43Å; Q92-R153 HydrophobicContact CB-CB 3.98Å; Q92-R153 PolarHBondContact N-O 2.96Å; Q92-R153 PolarHBondContact O-N 3.49Å |
| 154 | V | 85.5 | Confident | 75.2 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.2 | 169 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | W25 C61 L69 V91 T151 F196 | W25-V154 HydrophobicContact CH2-CB 4.24Å; W25-V154 HydrophobicContact CH2-CG1 3.98Å; W25-V154 HydrophobicContact CZ3-CG1 4.49Å; C61-V154 PolarHBondContact N-O 2.87Å; C61-V154 PolarHBondContact O-N 2.71Å; L69-V154 HydrophobicContact CD1-CG2 4.04Å; V91-V154 HydrophobicContact CG1-CG2 4.4Å; T151-V154 HydrophobicContact CG2-CG2 4.07Å; V154-F196 HydrophobicContact CG2-CE2 4.43Å; V154-F196 HydrophobicContact CG2-CZ 3.86Å |
| 155 | Q | 84.2 | Confident | 72.4 | Confident | 37 Ų | 37 | 45.4 Ų | 45.4 | 17% | 0.173 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 125.9 | 175.7 | 169.4 | 168.9 | -2.1 | 0 | 0 | 108.8 | Y58 I59 T60 F89 E90 | Y58-Q155 HydrophobicContact CD2-CG 4.49Å; I59-Q155 WeakPolarHBondContact O-CA 3.39Å; T60-Q155 HydrophobicContact CG2-CB 4.01Å; T60-Q155 HydrophobicContact CG2-CG 3.81Å; F89-Q155 CarbonylContact C-O 3.57Å; F89-Q155 WeakPolarHBondContact CA-O 3.38Å; E90-Q155 HydrophobicContact CB-CB 4.33Å; E90-Q155 PolarHBondContact N-O 2.85Å; E90-Q155 PolarHBondContact O-N 3.22Å |
| 156 | A | 78.1 | Confident | 69.5 | Low | 4 Ų | 4 | 50.8 Ų | 50.8 | 3% | 0.033 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.5 | 172 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y58 I59 I191 | Y58-A156 WeakPolarHBondContact CB-O 3.38Å; I59-A156 HydrophobicContact CD1-CB 4.47Å; I59-A156 HydrophobicContact CG1-CB 4.04Å; I59-A156 PolarHBondContact N-O 2.85Å; I59-A156 VanDerWaalsContact N-O 3.14Å; I59-A156 PolarHBondContact O-N 2.81Å; I59-A156 VanDerWaalsContact O-N 3.09Å; A156-I191 HydrophobicContact CB-CD1 4.14Å |
| 157 | S | 70.4 | Confident | 66.4 | Low | 14 Ų | 14 | 55.5 Ų | 55.5 | 10% | 0.098 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | -171.5 | 178.3 | 66 | 0 | 0 | 0 | 0 | 109.5 | F87 T88 | F87-S157 WeakPolarHBondContact CD2-O 3.45Å; T88-S157 CarbonylContact C-O 3.3Å; T88-S157 WeakPolarHBondContact CG2-OG 3.37Å; T88-S157 PolarHBondContact N-O 2.8Å; T88-S157 VanDerWaalsContact N-O 3.09Å; T88-S157 CarbonylContact O-C 3.56Å; T88-S157 VanDerWaalsContact O-C 3.3Å; T88-S157 PolarHBondContact O-N 2.75Å |
| 158 | T | 61 | Low | 63.5 | Low | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.012 | 35% | 0.349 | C | S | . | . | trans | -111.9 | -171.2 | 176.9 | 41.8 | 0 | 0 | 0 | 0 | 107.5 | V54 T88 A187 | V54-T158 WeakPolarHBondContact CG1-O 3.47Å; V54-T158 WeakPolarHBondContact CG2-OG1 3.08Å; T88-T158 WeakPolarHBondContact CG2-O 3.5Å; T158-A187 VanDerWaalsContact CG2-C 3.49Å; T158-A187 HydrophobicContact CG2-CB 3.39Å; T158-A187 WeakPolarHBondContact OG1-CB 3.32Å | ||
| 159 | P | 51.8 | Low | 60.7 | Low | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.019 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 142.9 | 179.7 | 33.9 | -42.2 | 0 | 0 | 0 | 114 | V54 Y86 Y108 S161 I185 | V54-P159 VanDerWaalsContact CB-C 3.45Å; V54-P159 WeakPolarHBondContact CB-O 3.22Å; V54-P159 WeakPolarHBondContact CG1-O 3.26Å; V54-P159 VanDerWaalsContact CG2-C 3.43Å; V54-P159 WeakPolarHBondContact CG2-O 3.35Å; Y86-P159 VanDerWaalsContact C-CD 3.49Å; Y86-P159 HydrophobicContact CD2-CG 3.87Å; Y86-P159 HydrophobicContact CG-CG 3.96Å; Y86-P159 VanDerWaalsContact O-CD 3.24Å; Y86-P159 WeakPolarHBondContact O-CD 3.41Å; Y108-P159 HydrophobicContact CD1-CB 3.66Å; Y108-P159 HydrophobicContact CD1-CG 4.46Å; Y108-P159 HydrophobicContact CE1-CB 3.34Å; Y108-P159 HydrophobicContact CE1-CG 4.43Å; Y108-P159 HydrophobicContact CE2-CB 4.34Å; Y108-P159 HydrophobicContact CG-CB 4.29Å; P159-S161 PolarHBondContact O-N 3.37Å; P159-S161 VanDerWaalsContact O-N 3.16Å; P159-I185 HydrophobicContact CG-CG2 3.49Å; P159-I185 VanDerWaalsContact CG-CG2 3.49Å |
| 160 | P | 48.6 | Very low | 57.9 | Low | 73 Ų | 73 | 63.6 Ų | 63.6 | 47% | 0.474 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 132 | 166.1 | 24.6 | -31.4 | 0 | 0 | 0 | 109 | A162 | P160-A162 PolarHBondContact O-N 2.93Å; P160-A162 VanDerWaalsContact O-N 3.11Å |
| 161 | S | 43.7 | Very low | 55.2 | Low | 51 Ų | 51 | 69.6 Ų | 69.6 | 36% | 0.357 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -49.8 | 122.9 | 168.8 | 48.8 | 0 | 0 | 0 | 0 | 107.3 | P159 G163 | P159-S161 PolarHBondContact O-N 3.37Å; P159-S161 VanDerWaalsContact O-N 3.16Å; S161-G163 PolarHBondContact O-N 3.09Å |
| 162 | A | 43.4 | Very low | 52.1 | Low | 99 Ų | 99 | 79.4 Ų | 79.4 | 82% | 0.818 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -53.2 | 102.9 | 178 | 0 | 0 | 0 | 0 | 0 | 108.6 | P160 | P160-A162 PolarHBondContact O-N 2.93Å; P160-A162 VanDerWaalsContact O-N 3.11Å |
| 163 | G | 42.2 | Very low | 49.7 | Very low | 59 Ų | 59 | 86 Ų | 86 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | trans | 161.1 | 43.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S161 | S161-G163 PolarHBondContact O-N 3.09Š| ||
| 164 | T | 37.2 | Very low | 46.9 | Very low | 135 Ų | 135 | 92.1 Ų | 92.1 | 83% | 0.828 | 54% | 0.544 | S | S | * | . | trans | -170.5 | 70.6 | 146.6 | -1.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 165 | E | 36.3 | Very low | 44.2 | Very low | 187 Ų | 187 | 97.9 Ų | 97.9 | 87% | 0.874 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -76.3 | 118.1 | 145.2 | -70.3 | -161.2 | 155.5 | 0 | 0 | 106 | A167 | E165-A167 PolarHBondContact O-N 3.47Š|
| 166 | H | 32.6 | Very low | 41.9 | Very low | 175 Ų | 175 | 103.7 Ų | 103.7 | 81% | 0.81 | 62% | 0.616 | S | S | * | * | trans | 14 | 100.2 | 166.1 | -68.6 | -83 | 0 | 0 | 0 | 117.9 | S168 | H166-S168 PolarHBondContact O-N 2.8Š| ||
| 167 | A | 31 | Very low | 39.9 | Very low | 100 Ų | 100 | 109.5 Ų | 109.5 | 83% | 0.826 | 65% | 0.651 | S | S | * | * | trans | -89.3 | 82.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | E165 | E165-A167 PolarHBondContact O-N 3.47Š| ||
| 168 | S | 34.8 | Very low | 38 | Very low | 92 Ų | 92 | 118.9 Ų | 118.9 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | trans | -120.8 | 113.9 | 153.1 | -64.1 | 0 | 0 | 0 | 0 | 107.1 | H166 | H166-S168 PolarHBondContact O-N 2.8Š| ||
| 169 | S | 36.3 | Very low | 36.5 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 68.2 | 101.9 | 160.7 | 38.2 | 0 | 0 | 0 | 0 | 119.6 | ||
| 170 | V | 35.8 | Very low | 35.5 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | 78.2 | 118.5 | 132.5 | -164.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 171 | L | 35.2 | Very low | 34.4 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | 65 | 107.9 | 159.9 | -74.5 | 157.7 | 0 | 0 | 0 | 117.7 | ||||
| 172 | F | 28.6 | Very low | 33.7 | Very low | 207 Ų | 207 | 139.3 Ų | 139.3 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | -162.4 | 107.2 | 113 | -124.1 | -97 | 0 | 0 | 0 | 110.2 | |||||
| 173 | L | 37.3 | Very low | 32.8 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -77.9 | 157.6 | 161 | -79.9 | 160.1 | 0 | 0 | 0 | 108.7 | ||||
| 174 | L | 30.7 | Very low | 32.2 | Very low | 165 Ų | 165 | 142 Ų | 142 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 89.8 | 97.7 | 172.7 | -58.3 | 158.5 | 0 | 0 | 0 | 116 | ||||
| 175 | S | 29.5 | Very low | 31.8 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | -179.5 | 136 | 97.7 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 176 | L | 35.8 | Very low | 31.9 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | trans | -57.2 | 164.6 | -179.7 | -76.4 | 137.6 | 0 | 0 | 0 | 114.8 | ||||
| 177 | T | 35.9 | Very low | 32.8 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 78% | 0.779 | 70% | 0.695 | S | S | * | * | trans | 72.5 | 81.3 | 166.8 | 62.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 178 | F | 30.1 | Very low | 34.5 | Very low | 211 Ų | 211 | 119.5 Ų | 119.5 | 93% | 0.925 | 66% | 0.659 | S | S | * | * | trans | -139.3 | 121.2 | 139.1 | -112.9 | -88.9 | 0 | 0 | 0 | 108.8 | S180 | F178-S180 PolarHBondContact O-N 3.18Š| ||
| 179 | N | 29.6 | Very low | 36.7 | Very low | 151 Ų | 151 | 115.3 Ų | 115.3 | 81% | 0.807 | 63% | 0.63 | S | S | * | * | trans | -42.4 | 130.6 | 175.1 | -93.2 | -39.1 | 0 | 0 | 0 | 111 | F181 | N179-F181 VanDerWaalsContact C-N 3.31Å; N179-F181 PolarHBondContact O-N 3.19Å | ||
| 180 | S | 31.3 | Very low | 39.2 | Very low | 121 Ų | 121 | 112.7 Ų | 112.7 | 85% | 0.846 | 60% | 0.604 | S | S | * | * | trans | -51.6 | 87.5 | 169.7 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | F178 | F178-S180 PolarHBondContact O-N 3.18Š| ||
| 181 | F | 25.9 | Very low | 41.9 | Very low | 179 Ų | 179 | 106.8 Ų | 106.8 | 79% | 0.785 | 57% | 0.567 | S | S | * | * | trans | -99.3 | 80.9 | 155.4 | -102 | -82.8 | 0 | 0 | 0 | 107.4 | N179 S183 | N179-F181 VanDerWaalsContact C-N 3.31Å; N179-F181 PolarHBondContact O-N 3.19Å; F181-S183 VanDerWaalsContact CD1-OG 3.3Å; F181-S183 WeakPolarHBondContact CD1-OG 3.35Å; F181-S183 PolarHBondContact O-N 3.09Å | ||
| 182 | S | 28.4 | Very low | 44.5 | Very low | 106 Ų | 106 | 100.7 Ų | 100.7 | 74% | 0.741 | 53% | 0.534 | S | S | * | . | trans | -71.9 | 69.7 | 155.8 | 67.4 | 0 | 0 | 0 | 0 | 107.5 | Q184 | S182-Q184 VanDerWaalsContact C-N 3.31Å; S182-Q184 PolarHBondContact O-N 2.82Å | ||
| 183 | S | 24.8 | Very low | 47.5 | Very low | 78 Ų | 78 | 91.2 Ų | 91.2 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | trans | -64.7 | 97.9 | 172.7 | -69.6 | 0 | 0 | 0 | 0 | 107.1 | F181 I185 | F181-S183 VanDerWaalsContact CD1-OG 3.3Å; F181-S183 WeakPolarHBondContact CD1-OG 3.35Å; F181-S183 PolarHBondContact O-N 3.09Å; S183-I185 VanDerWaalsContact C-N 3.31Å; S183-I185 PolarHBondContact O-N 2.93Å | ||
| 184 | Q | 28.5 | Very low | 50.1 | Low | 138 Ų | 138 | 84.4 Ų | 84.4 | 65% | 0.645 | 46% | 0.457 | S | S | * | . | trans | -59.9 | 100.9 | 167.5 | -68.9 | -176.7 | -4.5 | 0 | 0 | 106.4 | S182 H186 | S182-Q184 VanDerWaalsContact C-N 3.31Å; S182-Q184 PolarHBondContact O-N 2.82Å; Q184-H186 VanDerWaalsContact C-N 3.33Å; Q184-H186 PolarHBondContact O-CD2 3.04Å; Q184-H186 PolarHBondContact O-N 3.03Å | ||
| 185 | I | 28.7 | Very low | 53 | Low | 34 Ų | 34 | 76.7 Ų | 76.7 | 17% | 0.174 | 42% | 0.416 | C | S | . | . | trans | -71.3 | 96.6 | 178.3 | -73.9 | 171.1 | 0 | 0 | 0 | 106.6 | Y86 P159 S183 | Y86-I185 HydrophobicContact CD2-CB 4.47Å; Y86-I185 HydrophobicContact CD2-CD1 4.16Å; Y86-I185 HydrophobicContact CD2-CG1 4.19Å; Y86-I185 HydrophobicContact CD2-CG2 3.5Å; Y86-I185 VanDerWaalsContact CD2-CG2 3.5Å; Y86-I185 HydrophobicContact CE2-CD1 3.94Å; Y86-I185 HydrophobicContact CE2-CG1 4.05Å; Y86-I185 HydrophobicContact CE2-CG2 4.22Å; Y86-I185 HydrophobicContact CG-CG2 4.47Å; P159-I185 HydrophobicContact CG-CG2 3.49Å; P159-I185 VanDerWaalsContact CG-CG2 3.49Å; S183-I185 VanDerWaalsContact C-N 3.31Å; S183-I185 PolarHBondContact O-N 2.93Å | ||
| 186 | H | 39 | Very low | 56 | Low | 74 Ų | 74 | 70.9 Ų | 70.9 | 34% | 0.343 | 38% | 0.376 | S | S | . | . | trans | -74.6 | 143.4 | 171.7 | -62.9 | -82.4 | 0 | 0 | 0 | 109.6 | K85 Q184 | K85-H186 HydrophobicContact CD-CB 3.84Å; K85-H186 VanDerWaalsContact CD-O 3.3Å; K85-H186 WeakPolarHBondContact CD-O 3.35Å; Q184-H186 VanDerWaalsContact C-N 3.33Å; Q184-H186 PolarHBondContact O-CD2 3.04Å; Q184-H186 PolarHBondContact O-N 3.03Å | ||
| 187 | A | 50.4 | Low | 58.8 | Low | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 92.4 | -157.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | E50 G51 V54 T158 | E50-A187 CarbonylContact C-O 3.51Å; E50-A187 VanDerWaalsContact CA-O 3.31Å; E50-A187 WeakPolarHBondContact CA-O 3.25Å; G51-A187 PolarHBondContact N-O 2.81Å; G51-A187 WeakPolarHBondContact O-CB 3.45Å; G51-A187 PolarHBondContact O-N 2.96Å; V54-A187 HydrophobicContact CG2-CB 3.93Å; T158-A187 VanDerWaalsContact CG2-C 3.49Å; T158-A187 HydrophobicContact CG2-CB 3.39Å; T158-A187 WeakPolarHBondContact OG1-CB 3.32Å |
| 188 | N | 68.6 | Low | 61.4 | Low | 15 Ų | 15 | 60.1 Ų | 60.1 | 8% | 0.08 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 123.9 | -173.4 | -58 | 27.4 | 0 | 0 | 0 | 109.8 | I49 E50 L83 K85 | I49-N188 WeakPolarHBondContact O-CA 3.37Å; E50-N188 WeakPolarHBondContact CG-OD1 3.38Å; E50-N188 PolarHBondContact OE1-ND2 3.32Å; E50-N188 PolarHBondContact OE1-OD1 3.24Å; L83-N188 HydrophobicContact CB-CB 4.26Å; L83-N188 HydrophobicContact CD1-CB 3.51Å; K85-N188 HydrophobicContact CB-CB 4.47Å; K85-N188 HydrophobicContact CD-CB 3.73Å; K85-N188 VanDerWaalsContact CD-CG 3.49Å; K85-N188 WeakPolarHBondContact CD-OD1 3.06Å; K85-N188 VanDerWaalsContact CE-CG 3.43Å; K85-N188 WeakPolarHBondContact CE-ND2 3.34Å; K85-N188 HydrophobicContact CG-CB 4.26Å; K85-N188 PolarHBondContact NZ-ND2 3.05Å; K85-N188 PolarHBondContact NZ-OD1 3.27Å |
| 189 | C | 80 | Confident | 64.4 | Low | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.034 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 150.5 | 163.5 | 80.3 | 0 | 0 | 0 | 0 | 110 | I49 F87 | I49-C189 PolarHBondContact N-O 3.45Å; I49-C189 PolarHBondContact O-N 3.02Å; F87-C189 HydrophobicContact CD2-CB 3.67Å; F87-C189 HydrophobicContact CE2-CB 3.97Å; F87-C189 HydrophobicContact CG-CB 4.46Å |
| 190 | R | 90 | Very high | 67.1 | Low | 54 Ų | 54 | 52.2 Ų | 52.2 | 20% | 0.204 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.1 | 166 | -69.4 | 169.6 | -179.7 | -178.7 | 0.7 | 108.3 | D39 V46 L47 E48 I80 K81 L83 W129 | D39-R190 WeakPolarHBondContact OD2-CD 3.38Å; D39-R190 IonicContact OD2-CZ 3.7Å; D39-R190 IonicContact OD2-NE 2.82Å; D39-R190 IonicContact OD2-NH1 3.27Å; D39-R190 PolarHBondContact OD2-NH1 2.69Å; V46-R190 HydrophobicContact CB-CB 4.44Å; V46-R190 HydrophobicContact CG2-CB 3.93Å; V46-R190 HydrophobicContact CG2-CG 4Å; L47-R190 CarbonylContact O-C 3.56Å; L47-R190 WeakPolarHBondContact O-CA 2.91Å; E48-R190 HydrophobicContact CB-CG 4.11Å; E48-R190 HydrophobicContact CG-CG 4.13Å; E48-R190 IonicContact OE2-CZ 3.42Å; E48-R190 VanDerWaalsContact OE2-CZ 3.27Å; E48-R190 IonicContact OE2-NE 2.7Å; E48-R190 PolarHBondContact OE2-NE 3.45Å; E48-R190 IonicContact OE2-NH2 3.15Å; E48-R190 PolarHBondContact OE2-NH2 3.21Å; I80-R190 CarbonylContact C-O 3.56Å; I80-R190 VanDerWaalsContact CA-O 3.22Å; I80-R190 WeakPolarHBondContact CA-O 3.37Å; K81-R190 HydrophobicContact CB-CB 3.94Å; K81-R190 PolarHBondContact N-O 2.7Å; L83-R190 HydrophobicContact CD1-CG 4.13Å; W129-R190 HydrophobicContact CH2-CB 4.38Å |
| 191 | I | 90.7 | Very high | 69.8 | Low | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.6 | -179.3 | -51.6 | 179.6 | 0 | 0 | 0 | 107.8 | L14 L47 I49 I59 I80 A156 V194 | L14-I191 HydrophobicContact CD2-CG2 3.77Å; L47-I191 WeakPolarHBondContact CB-O 2.74Å; L47-I191 PolarHBondContact N-O 3.15Å; L47-I191 PolarHBondContact O-N 3.03Å; I49-I191 HydrophobicContact CD1-CD1 3.75Å; I59-I191 HydrophobicContact CD1-CD1 4.25Å; I80-I191 HydrophobicContact CG2-CG1 4.16Å; I80-I191 HydrophobicContact CG2-CG2 4.42Å; A156-I191 HydrophobicContact CB-CD1 4.14Å; I191-V194 HydrophobicContact CG2-CG2 3.81Å |
| 192 | R | 91.3 | Very high | 72.6 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -48.2 | 172.8 | 179.6 | 178.7 | 177.4 | 166.5 | -10.5 | 110.9 | S16 I42 V46 I79 W129 K211 L212 | S16-R192 WeakPolarHBondContact CB-O 3.11Å; S16-R192 PolarHBondContact N-O 2.8Å; S16-R192 PolarHBondContact OG-O 3.22Å; I42-R192 HydrophobicContact CD1-CG 4.47Å; V46-R192 HydrophobicContact CG1-CB 4.34Å; I79-R192 HydrophobicContact CB-CB 4.34Å; I79-R192 HydrophobicContact CG2-CB 4.06Å; I79-R192 PolarHBondContact O-N 2.97Å; W129-R192 HydrophobicContact CH2-CB 3.84Å; W129-R192 HydrophobicContact CZ3-CB 3.65Å; R192-K211 PolarHBondContact NH2-O 2.8Å; R192-L212 PolarHBondContact NH1-O 3.34Å |
| 193 | R | 90.9 | Very high | 75 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 143.4 | -174 | -163.3 | 176.7 | -84.6 | -138.4 | -4.7 | 111.8 | L14 Y15 I79 Y195 E209 F210 | L14-R193 CarbonylContact O-C 3.56Å; L14-R193 VanDerWaalsContact O-CA 3.27Å; L14-R193 WeakPolarHBondContact O-CA 3.23Å; L14-R193 WeakPolarHBondContact O-CG 2.68Å; Y15-R193 HydrophobicContact CD2-CG 4.46Å; I79-R193 HydrophobicContact CB-CB 4.42Å; I79-R193 HydrophobicContact CD1-CB 4.17Å; I79-R193 HydrophobicContact CG1-CB 4.45Å; I79-R193 PolarHBondContact N-O 3.37Å; R193-Y195 HydrophobicContact CG-CD1 3.89Å; R193-E209 PolarHBondContact NE-O 2.94Å; R193-E209 PolarHBondContact NH1-O 3.22Å; R193-E209 PolarHBondContact NH2-O 2.63Å; R193-F210 VanDerWaalsContact NH1-CE2 3.34Å; R193-F210 VanDerWaalsContact NH1-CG 3.29Å |
| 194 | V | 91.6 | Very high | 77.8 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 122.3 | 166.6 | -179.3 | 0 | 0 | 0 | 0 | 107 | V13 L14 L76 V77 M78 I191 | V13-V194 HydrophobicContact CG2-CB 3.87Å; V13-V194 HydrophobicContact CG2-CG1 3.53Å; V13-V194 VanDerWaalsContact CG2-O 3.25Å; V13-V194 WeakPolarHBondContact CG2-O 3.5Å; V13-V194 PolarHBondContact N-O 2.82Å; L14-V194 HydrophobicContact CB-CB 3.98Å; L14-V194 HydrophobicContact CB-CG2 4.2Å; L14-V194 PolarHBondContact N-O 2.83Å; L14-V194 PolarHBondContact O-N 2.97Å; L76-V194 HydrophobicContact CD1-CG1 3.7Å; V77-V194 WeakPolarHBondContact O-CA 3.41Å; M78-V194 HydrophobicContact CG-CB 4.41Å; M78-V194 HydrophobicContact CG-CG1 3.93Å; M78-V194 HydrophobicContact CG-CG2 4Å; M78-V194 HydrophobicContact SD-CG1 4.37Å; M78-V194 HydrophobicContact SD-CG2 4.21Å; I191-V194 HydrophobicContact CG2-CG2 3.81Å |
| 195 | Y | 92.3 | Very high | 80.4 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 162.2 | -178.7 | 67.2 | -86.6 | 0 | 0 | 0 | 111 | F10 L11 V77 I79 R193 F210 | F10-Y195 HydrophobicContact CD1-CD2 4.1Å; F10-Y195 AromaticContact CD1-CE2 3.93Å; F10-Y195 HydrophobicContact CD1-CE2 3.93Å; F10-Y195 HydrophobicContact CE1-CE2 4.34Å; L11-Y195 CarbonylContact O-C 3.53Å; L11-Y195 VanDerWaalsContact O-CA 3.25Å; L11-Y195 WeakPolarHBondContact O-CA 3.06Å; L11-Y195 WeakPolarHBondContact O-CB 3.07Å; V77-Y195 HydrophobicContact CB-CD1 4.12Å; V77-Y195 HydrophobicContact CB-CD2 4.15Å; V77-Y195 HydrophobicContact CB-CE1 3.69Å; V77-Y195 HydrophobicContact CB-CE2 3.69Å; V77-Y195 HydrophobicContact CB-CG 4.36Å; V77-Y195 VanDerWaalsContact CB-CZ 3.46Å; V77-Y195 HydrophobicContact CG1-CD1 4.43Å; V77-Y195 HydrophobicContact CG1-CE1 3.61Å; V77-Y195 HydrophobicContact CG1-CE2 4.22Å; V77-Y195 VanDerWaalsContact CG1-CZ 3.48Å; V77-Y195 WeakPolarHBondContact CG1-OH 3.43Å; V77-Y195 HydrophobicContact CG2-CD2 4.49Å; V77-Y195 HydrophobicContact CG2-CE2 3.86Å; V77-Y195 PolarHBondContact N-O 3.12Å; V77-Y195 PolarHBondContact O-N 2.88Å; V77-Y195 VanDerWaalsContact O-O 3.12Å; I79-Y195 HydrophobicContact CD1-CE1 4.37Å; R193-Y195 HydrophobicContact CG-CD1 3.89Å; Y195-F210 AromaticContact CD1-CD1 3.93Å; Y195-F210 HydrophobicContact CD1-CD1 3.93Å; Y195-F210 HydrophobicContact CD1-CE1 4.29Å; Y195-F210 AromaticContact CD2-CD1 3.95Å; Y195-F210 HydrophobicContact CD2-CD1 3.95Å; Y195-F210 HydrophobicContact CD2-CE1 4Å; Y195-F210 AromaticContact CE1-CD1 3.95Å; Y195-F210 HydrophobicContact CE1-CD1 3.95Å; Y195-F210 AromaticContact CE2-CD1 4Å; Y195-F210 HydrophobicContact CE2-CD1 4Å; Y195-F210 HydrophobicContact CE2-CE1 4.48Å; Y195-F210 AromaticContact CG-CD1 3.9Å; Y195-F210 HydrophobicContact CG-CD1 3.9Å; Y195-F210 AromaticContact CG-CE1 3.89Å; Y195-F210 HydrophobicContact CG-CE1 3.89Å; Y195-F210 AromaticContact CZ-CD1 3.97Å |
| 196 | F | 93 | Very high | 83.1 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 151.6 | 171.5 | -65.2 | -101.2 | 0 | 0 | 0 | 110.2 | F10 L11 V13 I71 L73 F75 L76 L136 T151 V154 | F10-F196 CarbonylContact C-O 3.59Å; F10-F196 WeakPolarHBondContact CA-O 3.24Å; L11-F196 HydrophobicContact CB-CB 4.48Å; L11-F196 PolarHBondContact N-O 2.79Å; L11-F196 PolarHBondContact O-N 3.31Å; V13-F196 HydrophobicContact CG1-CD2 4.12Å; V13-F196 HydrophobicContact CG1-CE2 3.95Å; V13-F196 HydrophobicContact CG2-CD2 4.42Å; V13-F196 HydrophobicContact CG2-CE2 4.04Å; I71-F196 HydrophobicContact CD1-CD2 3.65Å; I71-F196 HydrophobicContact CD1-CE2 3.46Å; I71-F196 VanDerWaalsContact CD1-CE2 3.46Å; I71-F196 HydrophobicContact CD1-CG 4.41Å; I71-F196 HydrophobicContact CD1-CZ 4.08Å; I71-F196 HydrophobicContact CG2-CB 4Å; I71-F196 HydrophobicContact CG2-CD1 3.83Å; I71-F196 HydrophobicContact CG2-CD2 4.03Å; I71-F196 HydrophobicContact CG2-CE1 4.29Å; I71-F196 HydrophobicContact CG2-CE2 4.47Å; I71-F196 HydrophobicContact CG2-CG 3.69Å; L73-F196 HydrophobicContact CB-CB 3.67Å; L73-F196 HydrophobicContact CD1-CB 3.79Å; L73-F196 HydrophobicContact CG-CB 4.37Å; F75-F196 CarbonylContact O-C 3.59Å; F75-F196 WeakPolarHBondContact O-CA 3.15Å; F75-F196 WeakPolarHBondContact O-CB 3.03Å; L76-F196 HydrophobicContact CB-CD1 4.13Å; L76-F196 HydrophobicContact CB-CE1 3.94Å; L76-F196 HydrophobicContact CD1-CD1 4.27Å; L76-F196 HydrophobicContact CD1-CD2 4.33Å; L76-F196 HydrophobicContact CD1-CE1 3.88Å; L76-F196 HydrophobicContact CD1-CE2 3.94Å; L76-F196 HydrophobicContact CD1-CG 4.48Å; L76-F196 HydrophobicContact CD1-CZ 3.71Å; L76-F196 HydrophobicContact CG-CE1 4.4Å; L136-F196 HydrophobicContact CD1-CE1 3.98Å; T151-F196 HydrophobicContact CG2-CE1 4.03Å; T151-F196 HydrophobicContact CG2-CZ 3.84Å; T151-F196 WeakPolarHBondContact OG1-CE1 3.4Å; V154-F196 HydrophobicContact CG2-CE2 4.43Å; V154-F196 HydrophobicContact CG2-CZ 3.86Å |
| 197 | S | 93.6 | Very high | 85.2 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 156 | 174.8 | 63 | 0 | 0 | 0 | 0 | 112.4 | G9 P74 F75 R199 | G9-S197 VanDerWaalsContact O-CA 3.24Å; G9-S197 WeakPolarHBondContact O-CA 3.48Å; P74-S197 WeakPolarHBondContact CD-O 3.39Å; F75-S197 WeakPolarHBondContact CB-OG 3.21Å; F75-S197 PolarHBondContact N-O 3.4Å; F75-S197 VanDerWaalsContact N-O 3.13Å; F75-S197 PolarHBondContact O-N 2.8Å; S197-R199 VanDerWaalsContact CB-O 3.32Å; S197-R199 WeakPolarHBondContact CB-O 3.36Å; S197-R199 PolarHBondContact OG-O 2.96Å |
| 198 | D | 91.8 | Very high | 86.6 | Confident | 57 Ų | 57 | 43.6 Ų | 43.6 | 31% | 0.305 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -74.4 | -33.8 | 176.2 | 51 | 8.5 | 0 | 0 | 0 | 112.8 | G9 L73 P74 F75 Y201 | G9-D198 WeakPolarHBondContact CA-OD2 3.33Å; G9-D198 PolarHBondContact N-OD2 2.86Å; G9-D198 PolarHBondContact O-N 2.98Å; L73-D198 HydrophobicContact CD2-CB 3.9Å; P74-D198 WeakPolarHBondContact CG-O 2.94Å; F75-D198 WeakPolarHBondContact CD2-O 3.41Å; F75-D198 WeakPolarHBondContact CE2-O 3.46Å; D198-Y201 WeakPolarHBondContact OD1-CE2 3.21Å; D198-Y201 VanDerWaalsContact OD1-CZ 3.3Å; D198-Y201 PolarHBondContact OD1-OH 3.01Å |
| 199 | R | 91.3 | Very high | 87.2 | Confident | 116 Ų | 116 | 48.1 Ų | 48.1 | 44% | 0.438 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -135.3 | 171.9 | 173.7 | 64.2 | -177.1 | 179.5 | 126.9 | 2.5 | 111.8 | S197 Y201 E205 | S197-R199 VanDerWaalsContact CB-O 3.32Å; S197-R199 WeakPolarHBondContact CB-O 3.36Å; S197-R199 PolarHBondContact OG-O 2.96Å; R199-Y201 HydrophobicContact CG-CD2 3.92Å; R199-Y201 HydrophobicContact CG-CE1 4.17Å; R199-Y201 HydrophobicContact CG-CE2 3.45Å; R199-Y201 VanDerWaalsContact CG-CE2 3.45Å; R199-Y201 HydrophobicContact CG-CG 4.43Å; R199-Y201 VanDerWaalsContact O-CD2 3.26Å; R199-Y201 WeakPolarHBondContact O-CD2 3.31Å; R199-Y201 WeakPolarHBondContact O-CE2 3.3Å; R199-E205 IonicContact CZ-OE1 2.56Å; R199-E205 VanDerWaalsContact CZ-OE1 3.28Å; R199-E205 IonicContact NH1-OE1 2.72Å; R199-E205 PolarHBondContact NH1-OE1 2.81Å; R199-E205 IonicContact NH1-OE2 3.5Å; R199-E205 IonicContact NH2-OE1 3.53Å; R199-E205 PolarHBondContact NH2-OE1 2.79Å |
| 200 | L | 87.8 | Confident | 87.1 | Confident | 81 Ų | 81 | 48.5 Ų | 48.5 | 42% | 0.424 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -78 | 122.8 | 163.2 | -63.6 | -178.6 | 0 | 0 | 0 | 108.2 | F75 Q133 | F75-L200 HydrophobicContact CB-CD2 4.23Å; F75-L200 HydrophobicContact CD1-CD1 4.33Å; F75-L200 HydrophobicContact CD1-CD2 3.26Å; F75-L200 HydrophobicContact CD1-CG 3.62Å; F75-L200 HydrophobicContact CE1-CD1 3.93Å; F75-L200 HydrophobicContact CE1-CD2 3.7Å; F75-L200 HydrophobicContact CE1-CG 3.46Å; F75-L200 VanDerWaalsContact CE1-CG 3.46Å; F75-L200 HydrophobicContact CG-CD2 3.79Å; F75-L200 HydrophobicContact CG-CG 4.26Å; F75-L200 HydrophobicContact CZ-CG 4.04Å; Q133-L200 HydrophobicContact CB-CD2 4.05Å; Q133-L200 HydrophobicContact CG-CD2 4.35Å |
| 201 | Y | 86.3 | Confident | 86.5 | Confident | 33 Ų | 33 | 48.6 Ų | 48.6 | 13% | 0.129 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -96.9 | 138.1 | 175.1 | -69.7 | -97.4 | 0 | 0 | 0 | 108.4 | F10 D198 R199 E205 L206 | F10-Y201 HydrophobicContact CD1-CD2 4.38Å; F10-Y201 HydrophobicContact CD1-CE2 4.33Å; F10-Y201 HydrophobicContact CE1-CD1 4.36Å; F10-Y201 AromaticContact CE1-CD2 3.32Å; F10-Y201 HydrophobicContact CE1-CD2 3.32Å; F10-Y201 AromaticContact CE1-CE2 3.54Å; F10-Y201 HydrophobicContact CE1-CE2 3.54Å; F10-Y201 AromaticContact CE1-CG 3.79Å; F10-Y201 HydrophobicContact CE1-CG 3.79Å; F10-Y201 HydrophobicContact CE2-CD1 4.49Å; F10-Y201 HydrophobicContact CE2-CE1 4.17Å; F10-Y201 HydrophobicContact CE2-CE2 4.3Å; F10-Y201 AromaticContact CZ-CD1 3.65Å; F10-Y201 HydrophobicContact CZ-CD1 3.65Å; F10-Y201 AromaticContact CZ-CD2 3.45Å; F10-Y201 HydrophobicContact CZ-CD2 3.45Å; F10-Y201 VanDerWaalsContact CZ-CD2 3.45Å; F10-Y201 AromaticContact CZ-CE1 3.69Å; F10-Y201 HydrophobicContact CZ-CE1 3.69Å; F10-Y201 AromaticContact CZ-CE2 3.52Å; F10-Y201 HydrophobicContact CZ-CE2 3.52Å; F10-Y201 AromaticContact CZ-CG 3.53Å; F10-Y201 HydrophobicContact CZ-CG 3.53Å; F10-Y201 AromaticContact CZ-CZ 3.65Å; D198-Y201 WeakPolarHBondContact OD1-CE2 3.21Å; D198-Y201 VanDerWaalsContact OD1-CZ 3.3Å; D198-Y201 PolarHBondContact OD1-OH 3.01Å; R199-Y201 HydrophobicContact CG-CD2 3.92Å; R199-Y201 HydrophobicContact CG-CE1 4.17Å; R199-Y201 HydrophobicContact CG-CE2 3.45Å; R199-Y201 VanDerWaalsContact CG-CE2 3.45Å; R199-Y201 HydrophobicContact CG-CG 4.43Å; R199-Y201 VanDerWaalsContact O-CD2 3.26Å; R199-Y201 WeakPolarHBondContact O-CD2 3.31Å; R199-Y201 WeakPolarHBondContact O-CE2 3.3Å; Y201-E205 HydrophobicContact CD1-CB 3.9Å; Y201-L206 HydrophobicContact CG-CD2 4.41Å |
| 202 | S | 84.9 | Confident | 85.6 | Confident | 59 Ų | 59 | 49.3 Ų | 49.3 | 41% | 0.413 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 159.4 | 166.7 | 59 | 0 | 0 | 0 | 0 | 110.3 | D204 E205 L206 | S202-D204 PolarHBondContact O-N 3.04Å; S202-E205 PolarHBondContact N-OE2 3.45Å; S202-E205 PolarHBondContact O-N 3.16Å; S202-E205 VanDerWaalsContact O-N 3.08Å; S202-E205 VanDerWaalsContact OG-CG 3.32Å; S202-E205 WeakPolarHBondContact OG-CG 3.32Å; S202-E205 PolarHBondContact OG-OE2 3.4Å; S202-L206 PolarHBondContact O-N 2.73Å |
| 203 | E | 80.6 | Confident | 84.5 | Confident | 86 Ų | 86 | 58.5 Ų | 58.5 | 40% | 0.402 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -52.6 | -42.2 | 177.2 | -75.7 | -62.8 | 136.5 | 0 | 0 | 111.3 | Q131 E205 L206 K211 | Q131-E203 PolarHBondContact OE1-OE1 2.92Å; E203-E205 VanDerWaalsContact C-N 3.27Å; E203-E205 PolarHBondContact O-N 3.11Å; E203-L206 WeakPolarHBondContact O-CB 3.19Å; E203-L206 PolarHBondContact O-N 2.85Å; E203-L206 VanDerWaalsContact O-N 3.1Å; E203-K211 WeakPolarHBondContact O-CE 3.24Å; E203-K211 PolarHBondContact O-NZ 3.1Å |
| 204 | D | 82.1 | Confident | 84.2 | Confident | 147 Ų | 147 | 61.1 Ų | 61.1 | 79% | 0.786 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -64.3 | -29.9 | -178.3 | -62.2 | -39.7 | 0 | 0 | 0 | 113.8 | S202 | S202-D204 PolarHBondContact O-N 3.04Š|
| 205 | E | 84.5 | Confident | 83.8 | Confident | 83 Ų | 83 | 64.1 Ų | 64.1 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -83.9 | -15.9 | 177.7 | -63.5 | 170.1 | 115 | 0 | 0 | 113 | R199 Y201 S202 E203 | R199-E205 IonicContact CZ-OE1 2.56Å; R199-E205 VanDerWaalsContact CZ-OE1 3.28Å; R199-E205 IonicContact NH1-OE1 2.72Å; R199-E205 PolarHBondContact NH1-OE1 2.81Å; R199-E205 IonicContact NH1-OE2 3.5Å; R199-E205 IonicContact NH2-OE1 3.53Å; R199-E205 PolarHBondContact NH2-OE1 2.79Å; Y201-E205 HydrophobicContact CD1-CB 3.9Å; S202-E205 PolarHBondContact N-OE2 3.45Å; S202-E205 PolarHBondContact O-N 3.16Å; S202-E205 VanDerWaalsContact O-N 3.08Å; S202-E205 VanDerWaalsContact OG-CG 3.32Å; S202-E205 WeakPolarHBondContact OG-CG 3.32Å; S202-E205 PolarHBondContact OG-OE2 3.4Å; E203-E205 VanDerWaalsContact C-N 3.27Å; E203-E205 PolarHBondContact O-N 3.11Å |
| 206 | L | 83.8 | Confident | 83.3 | Confident | 6 Ų | 6 | 67.4 Ų | 67.4 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -72.4 | 129.5 | 179.2 | -73 | 175.2 | 0 | 0 | 0 | 110.1 | F10 Y201 S202 E203 F210 K211 | F10-L206 HydrophobicContact CE1-CD2 3.73Å; F10-L206 HydrophobicContact CZ-CD2 3.99Å; Y201-L206 HydrophobicContact CG-CD2 4.41Å; S202-L206 PolarHBondContact O-N 2.73Å; E203-L206 WeakPolarHBondContact O-CB 3.19Å; E203-L206 PolarHBondContact O-N 2.85Å; E203-L206 VanDerWaalsContact O-N 3.1Å; L206-F210 HydrophobicContact CB-CB 4.4Å; L206-F210 HydrophobicContact CD2-CB 4.05Å; L206-K211 HydrophobicContact CB-CG 3.85Å; L206-K211 WeakPolarHBondContact O-CE 3.3Å |
| 207 | P | 83.5 | Confident | 82.8 | Confident | 52 Ų | 52 | 71.4 Ų | 71.4 | 34% | 0.338 | 36% | 0.358 | S | S | . | . | trans | -58.9 | 149.3 | 168.5 | -18.4 | 29.6 | 0 | 0 | 0 | 110.1 | F10 E209 F210 K211 | F10-P207 HydrophobicContact CE2-CG 4.3Å; P207-E209 HydrophobicContact CB-CG 4.24Å; P207-E209 PolarHBondContact O-N 3.06Å; P207-F210 HydrophobicContact CB-CD2 4.05Å; P207-F210 HydrophobicContact CG-CD2 3.96Å; P207-F210 HydrophobicContact CG-CE2 4.46Å; P207-F210 PolarHBondContact O-N 2.88Å; P207-K211 PolarHBondContact O-N 2.93Å | ||
| 208 | A | 80.5 | Confident | 82.1 | Confident | 83 Ų | 83 | 75.7 Ų | 75.7 | 69% | 0.686 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -32.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | F210 K211 | A208-F210 VanDerWaalsContact C-N 3.34Å; A208-F210 PolarHBondContact O-N 2.86Å; A208-K211 PolarHBondContact O-N 2.88Å |
| 209 | E | 80.7 | Confident | 81.5 | Confident | 109 Ų | 109 | 76.9 Ų | 76.9 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -22.3 | 177.6 | 65.5 | -160.7 | -136.9 | 0 | 0 | 114.9 | R193 P207 | R193-E209 PolarHBondContact NE-O 2.94Å; R193-E209 PolarHBondContact NH1-O 3.22Å; R193-E209 PolarHBondContact NH2-O 2.63Å; P207-E209 HydrophobicContact CB-CG 4.24Å; P207-E209 PolarHBondContact O-N 3.06Å |
| 210 | F | 77.9 | Confident | 80.7 | Confident | 14 Ų | 14 | 74.1 Ų | 74.1 | 6% | 0.061 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -13.3 | 176.7 | -69.6 | -91.1 | 0 | 0 | 0 | 113.2 | F10 R193 Y195 L206 P207 A208 | F10-F210 HydrophobicContact CB-CE1 3.87Å; F10-F210 HydrophobicContact CB-CE2 4.37Å; F10-F210 HydrophobicContact CB-CZ 3.69Å; F10-F210 HydrophobicContact CD1-CD1 4.39Å; F10-F210 HydrophobicContact CD1-CE1 4.34Å; F10-F210 HydrophobicContact CG-CE1 4.23Å; F10-F210 HydrophobicContact CG-CE2 4.44Å; F10-F210 HydrophobicContact CG-CZ 4.14Å; R193-F210 VanDerWaalsContact NH1-CE2 3.34Å; R193-F210 VanDerWaalsContact NH1-CG 3.29Å; Y195-F210 AromaticContact CD1-CD1 3.93Å; Y195-F210 HydrophobicContact CD1-CD1 3.93Å; Y195-F210 HydrophobicContact CD1-CE1 4.29Å; Y195-F210 AromaticContact CD2-CD1 3.95Å; Y195-F210 HydrophobicContact CD2-CD1 3.95Å; Y195-F210 HydrophobicContact CD2-CE1 4Å; Y195-F210 AromaticContact CE1-CD1 3.95Å; Y195-F210 HydrophobicContact CE1-CD1 3.95Å; Y195-F210 AromaticContact CE2-CD1 4Å; Y195-F210 HydrophobicContact CE2-CD1 4Å; Y195-F210 HydrophobicContact CE2-CE1 4.48Å; Y195-F210 AromaticContact CG-CD1 3.9Å; Y195-F210 HydrophobicContact CG-CD1 3.9Å; Y195-F210 AromaticContact CG-CE1 3.89Å; Y195-F210 HydrophobicContact CG-CE1 3.89Å; Y195-F210 AromaticContact CZ-CD1 3.97Å; L206-F210 HydrophobicContact CB-CB 4.4Å; L206-F210 HydrophobicContact CD2-CB 4.05Å; P207-F210 HydrophobicContact CB-CD2 4.05Å; P207-F210 HydrophobicContact CG-CD2 3.96Å; P207-F210 HydrophobicContact CG-CE2 4.46Å; P207-F210 PolarHBondContact O-N 2.88Å; A208-F210 VanDerWaalsContact C-N 3.34Å; A208-F210 PolarHBondContact O-N 2.86Å |
| 211 | K | 78 | Confident | 80.2 | Confident | 55 Ų | 55 | 73.6 Ų | 73.6 | 24% | 0.239 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -70.4 | 152.2 | 173.8 | -69.9 | -178.5 | 164.8 | 172.1 | 0 | 111.7 | R192 E203 L206 P207 A208 | R192-K211 PolarHBondContact NH2-O 2.8Å; E203-K211 WeakPolarHBondContact O-CE 3.24Å; E203-K211 PolarHBondContact O-NZ 3.1Å; L206-K211 HydrophobicContact CB-CG 3.85Å; L206-K211 WeakPolarHBondContact O-CE 3.3Å; P207-K211 PolarHBondContact O-N 2.93Å; A208-K211 PolarHBondContact O-N 2.88Å |
| 212 | L | 71.6 | Confident | 79.7 | Confident | 17 Ų | 17 | 77 Ų | 77 | 9% | 0.089 | 40% | 0.398 | C | S | . | . | trans | -74.7 | -34.6 | 176 | -179.1 | 62.9 | 0 | 0 | 0 | 112.2 | I79 W129 R192 | I79-L212 HydrophobicContact CG2-CD1 3.5Å; I79-L212 VanDerWaalsContact CG2-CD1 3.5Å; W129-L212 HydrophobicContact CB-CD1 3.68Å; W129-L212 HydrophobicContact CB-CD2 3.68Å; W129-L212 HydrophobicContact CB-CG 4.18Å; W129-L212 HydrophobicContact CD2-CD1 4.02Å; W129-L212 HydrophobicContact CE3-CD1 3.93Å; W129-L212 HydrophobicContact CG-CD1 3.94Å; R192-L212 PolarHBondContact NH1-O 3.34Å | ||
| 213 | Y | 68.3 | Low | 79.2 | Confident | 213 Ų | 213 | 78.6 Ų | 78.6 | 84% | 0.835 | 40% | 0.397 | S | S | * | . | trans | -119.7 | 0 | -179.4 | -61.2 | -76.1 | 0 | 0 | 0 | 111.1 | I42 | I42-Y213 HydrophobicContact CG2-CE1 4.48Š|
Retrieved 213 of 213 residues in 224.1 ms
(Link to these results)