| 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 | 87.4 | Confident | 88.7 | Confident | 93 Ų | 93 | 77.8 Ų | 77.8 | 46% | 0.458 | 39% | 0.389 | S | S | . | . | 0 | -49.2 | 0 | -72 | -178 | 74.1 | 0 | 0 | 110.3 | I24 P62 A68 L69 | M1-I24 HydrophobicContact CE-CB 3.8Å; M1-I24 HydrophobicContact CE-CD1 4.43Å; M1-I24 HydrophobicContact CE-CG2 3.66Å; M1-P62 HydrophobicContact CG-CG 4.24Å; M1-P62 HydrophobicContact SD-CB 3.43Å; M1-P62 WeakPolarHBondContact SD-CB 3.3Å; M1-P62 HydrophobicContact SD-CG 3.46Å; M1-P62 WeakPolarHBondContact SD-CG 3.36Å; M1-A68 PolarHBondContact N-O 3.11Å; M1-L69 CarbonylContact C-O 3.51Å; M1-L69 WeakPolarHBondContact CA-O 3.41Å; M1-L69 PolarHBondContact N-O 3.25Å; M1-L69 HydrophobicContact SD-CD2 4.4Å | |||
| 2 | F | 90.2 | Very high | 89.1 | Confident | 37 Ų | 37 | 74.9 Ų | 74.9 | 16% | 0.162 | 38% | 0.382 | C | S | . | . | trans | -107.6 | -0.5 | -178.5 | -59 | -76.4 | 0 | 0 | 0 | 113.3 | N4 T5 Q7 L11 I13 I24 L69 I71 | F2-N4 PolarHBondContact O-N 2.89Å; F2-N4 VanDerWaalsContact O-N 3.1Å; F2-T5 VanDerWaalsContact CA-OG1 3.27Å; F2-T5 WeakPolarHBondContact CA-OG1 3.49Å; F2-T5 WeakPolarHBondContact CB-OG1 3.43Å; F2-T5 PolarHBondContact O-N 3.31Å; F2-T5 PolarHBondContact O-OG1 3.43Å; F2-Q7 PolarHBondContact O-NE2 3.31Å; F2-L11 HydrophobicContact CB-CD2 4.15Å; F2-L11 HydrophobicContact CD1-CD1 3.98Å; F2-L11 HydrophobicContact CD1-CD2 4.13Å; F2-L11 HydrophobicContact CD2-CD2 4.4Å; F2-L11 HydrophobicContact CE1-CD1 4.02Å; F2-L11 HydrophobicContact CG-CD2 3.97Å; F2-I13 HydrophobicContact CE2-CG2 4.29Å; F2-I24 HydrophobicContact CE2-CD1 4.4Å; F2-I24 HydrophobicContact CZ-CD1 4.27Å; F2-L69 HydrophobicContact CD2-CD2 3.89Å; F2-L69 HydrophobicContact CE2-CD2 3.67Å; F2-L69 PolarHBondContact N-O 2.78Å; F2-I71 HydrophobicContact CB-CG1 4.09Å; F2-I71 HydrophobicContact CD2-CD1 4.01Å; F2-I71 HydrophobicContact CD2-CG1 3.92Å; F2-I71 HydrophobicContact CE2-CD1 4.47Å; F2-I71 HydrophobicContact CG-CG1 4.29Å | ||
| 3 | R | 86.8 | Confident | 89.7 | Confident | 119 Ų | 119 | 69.8 Ų | 69.8 | 45% | 0.449 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -36.9 | -175.5 | -168.6 | 176.8 | -63.8 | 133.6 | -4.2 | 114 | G70 E150 | R3-G70 WeakPolarHBondContact CA-O 3.47Å; R3-G70 PolarHBondContact N-O 3.29Å; R3-E150 IonicContact CZ-OE1 3.48Å; R3-E150 IonicContact CZ-OE2 3.66Å; R3-E150 IonicContact NE-OE1 3.5Å; R3-E150 PolarHBondContact NE-OE1 2.96Å; R3-E150 IonicContact NE-OE2 2.9Å; R3-E150 PolarHBondContact NE-OE2 3.15Å; R3-E150 IonicContact NH2-OE1 2.67Å; R3-E150 PolarHBondContact NH2-OE1 2.96Å; R3-E150 IonicContact NH2-OE2 3.55Å |
| 4 | N | 85.8 | Confident | 90.2 | Very high | 162 Ų | 162 | 64.9 Ų | 64.9 | 87% | 0.866 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 10.4 | -178.8 | -58.2 | -12.9 | 0 | 0 | 0 | 112.5 | F2 | F2-N4 PolarHBondContact O-N 2.89Å; F2-N4 VanDerWaalsContact O-N 3.1Å |
| 5 | T | 84.4 | Confident | 90.6 | Very high | 65 Ų | 65 | 64.3 Ų | 64.3 | 40% | 0.399 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -95.6 | 150.6 | 173.2 | 61.6 | 0 | 0 | 0 | 0 | 109.1 | F2 Q7 | F2-T5 VanDerWaalsContact CA-OG1 3.27Å; F2-T5 WeakPolarHBondContact CA-OG1 3.49Å; F2-T5 WeakPolarHBondContact CB-OG1 3.43Å; F2-T5 PolarHBondContact O-N 3.31Å; F2-T5 PolarHBondContact O-OG1 3.43Å; T5-Q7 WeakPolarHBondContact O-CG 3.17Å; T5-Q7 PolarHBondContact O-N 3.16Å |
| 6 | F | 84.6 | Confident | 90.9 | Very high | 188 Ų | 188 | 60.3 Ų | 60.3 | 83% | 0.825 | 31% | 0.305 | S | S | * | . | trans | -60.9 | 130 | 169.7 | -174.6 | -108 | 0 | 0 | 0 | 109.7 | ||||
| 7 | Q | 88.8 | Confident | 91.1 | Very high | 36 Ų | 36 | 60.2 Ų | 60.2 | 17% | 0.168 | 31% | 0.308 | C | S | . | . | trans | -126.5 | 100.5 | -178.6 | -62.5 | -177.4 | 38.8 | 0 | 0 | 108.6 | F2 T5 L11 G70 I71 L73 | F2-Q7 PolarHBondContact O-NE2 3.31Å; T5-Q7 WeakPolarHBondContact O-CG 3.17Å; T5-Q7 PolarHBondContact O-N 3.16Å; Q7-L11 HydrophobicContact CG-CD2 4.42Å; Q7-G70 PolarHBondContact NE2-O 2.89Å; Q7-I71 VanDerWaalsContact OE1-CA 3.26Å; Q7-L73 HydrophobicContact CB-CD1 4.48Å; Q7-L73 HydrophobicContact CB-CD2 4.27Å; Q7-L73 HydrophobicContact CB-CG 4.16Å | ||
| 8 | S | 88.2 | Confident | 91.1 | Very high | 64 Ų | 64 | 58.2 Ų | 58.2 | 45% | 0.448 | 30% | 0.304 | S | S | . | . | trans | -150.8 | 151.3 | 178 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | F10 | S8-F10 PolarHBondContact O-N 3.31Š| ||
| 9 | G | 91.9 | Very high | 91.2 | Very high | 13 Ų | 13 | 62.2 Ų | 62.2 | 13% | 0.134 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 64.4 | -101.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C168 D169 | G9-C168 WeakPolarHBondContact O-CA 3.28Å; G9-C168 VanDerWaalsContact O-CB 3.31Å; G9-C168 WeakPolarHBondContact O-CB 3.33Å; G9-D169 PolarHBondContact N-OD2 3.37Å; G9-D169 PolarHBondContact O-N 3.25Å |
| 10 | F | 93 | Very high | 91.4 | Very high | 51 Ų | 51 | 66.4 Ų | 66.4 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135 | -173.9 | -55.5 | -86.8 | 0 | 0 | 0 | 112.8 | S8 Y166 F167 C168 Y172 L177 P178 F181 | S8-F10 PolarHBondContact O-N 3.31Å; F10-Y166 AromaticContact CD1-CD2 3.85Å; F10-Y166 HydrophobicContact CD1-CD2 3.85Å; F10-Y166 AromaticContact CD1-CE2 3.65Å; F10-Y166 HydrophobicContact CD1-CE2 3.65Å; F10-Y166 AromaticContact CE1-CE2 3.99Å; F10-Y166 HydrophobicContact CE1-CE2 3.99Å; F10-F167 CarbonylContact C-O 3.51Å; F10-F167 WeakPolarHBondContact CA-O 3.41Å; F10-C168 HydrophobicContact CD1-CB 3.93Å; F10-C168 HydrophobicContact CE1-CB 4.18Å; F10-Y172 HydrophobicContact CD1-CE2 4.47Å; F10-Y172 AromaticContact CE1-CD2 3.47Å; F10-Y172 HydrophobicContact CE1-CD2 3.47Å; F10-Y172 VanDerWaalsContact CE1-CD2 3.47Å; F10-Y172 AromaticContact CE1-CE2 3.71Å; F10-Y172 HydrophobicContact CE1-CE2 3.71Å; F10-Y172 AromaticContact CE1-CG 3.94Å; F10-Y172 HydrophobicContact CE1-CG 3.94Å; F10-Y172 HydrophobicContact CE2-CD1 4.38Å; F10-Y172 HydrophobicContact CE2-CD2 4.38Å; F10-Y172 HydrophobicContact CE2-CE1 4.03Å; F10-Y172 HydrophobicContact CE2-CE2 4.05Å; F10-Y172 AromaticContact CE2-CZ 3.85Å; F10-Y172 AromaticContact CZ-CD1 3.69Å; F10-Y172 HydrophobicContact CZ-CD1 3.69Å; F10-Y172 AromaticContact CZ-CD2 3.38Å; F10-Y172 HydrophobicContact CZ-CD2 3.38Å; F10-Y172 AromaticContact CZ-CE1 3.76Å; F10-Y172 HydrophobicContact CZ-CE1 3.76Å; F10-Y172 AromaticContact CZ-CE2 3.46Å; F10-Y172 HydrophobicContact CZ-CE2 3.46Å; F10-Y172 VanDerWaalsContact CZ-CE2 3.46Å; F10-Y172 AromaticContact CZ-CG 3.5Å; F10-Y172 HydrophobicContact CZ-CG 3.5Å; F10-Y172 VanDerWaalsContact CZ-CG 3.5Å; F10-Y172 AromaticContact CZ-CZ 3.64Å; F10-L177 HydrophobicContact CE1-CD2 3.72Å; F10-L177 HydrophobicContact CZ-CD2 3.88Å; F10-P178 HydrophobicContact CD2-CG 4.41Å; F10-P178 HydrophobicContact CE2-CG 3.97Å; F10-F181 HydrophobicContact CB-CE1 3.83Å; F10-F181 HydrophobicContact CB-CE2 4.25Å; F10-F181 HydrophobicContact CB-CZ 3.5Å; F10-F181 HydrophobicContact CD1-CD1 4.21Å; F10-F181 AromaticContact CD1-CE1 3.96Å; F10-F181 HydrophobicContact CD1-CE1 3.96Å; F10-F181 HydrophobicContact CD1-CZ 4.27Å; F10-F181 HydrophobicContact CG-CE1 4.03Å; F10-F181 HydrophobicContact CG-CE2 4.3Å; F10-F181 AromaticContact CG-CZ 3.88Å; F10-F181 HydrophobicContact CG-CZ 3.88Å |
| 11 | L | 94.3 | Very high | 91.5 | Very high | 28 Ų | 28 | 64.2 Ų | 64.2 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 100.2 | 172.5 | -177.9 | 62.7 | 0 | 0 | 0 | 110.6 | F2 Q7 I71 L73 Y166 F167 | F2-L11 HydrophobicContact CB-CD2 4.15Å; F2-L11 HydrophobicContact CD1-CD1 3.98Å; F2-L11 HydrophobicContact CD1-CD2 4.13Å; F2-L11 HydrophobicContact CD2-CD2 4.4Å; F2-L11 HydrophobicContact CE1-CD1 4.02Å; F2-L11 HydrophobicContact CG-CD2 3.97Å; Q7-L11 HydrophobicContact CG-CD2 4.42Å; L11-I71 HydrophobicContact CD2-CB 4.49Å; L11-I71 HydrophobicContact CD2-CD1 3.7Å; L11-I71 HydrophobicContact CD2-CG1 3.63Å; L11-I71 HydrophobicContact CD2-CG2 4.16Å; L11-L73 HydrophobicContact CB-CD1 3.65Å; L11-Y166 CarbonylContact O-C 3.52Å; L11-Y166 VanDerWaalsContact O-CA 3.24Å; L11-Y166 WeakPolarHBondContact O-CA 3.44Å; L11-Y166 WeakPolarHBondContact O-CB 3.37Å; L11-F167 HydrophobicContact CB-CB 4.47Å; L11-F167 PolarHBondContact N-O 2.79Å; L11-F167 PolarHBondContact O-N 3.39Å |
| 12 | S | 94.3 | Very high | 92 | Very high | 43 Ų | 43 | 60.9 Ų | 60.9 | 30% | 0.301 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 126 | 178.2 | -169.9 | 0 | 0 | 0 | 0 | 111.3 | R164 | S12-R164 PolarHBondContact OG-NH1 2.83Å; S12-R164 VanDerWaalsContact OG-NH1 3.09Å |
| 13 | I | 96 | Very high | 92.2 | Very high | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.041 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -20.3 | 174.6 | 60.3 | 161.6 | 0 | 0 | 0 | 112.8 | F2 I24 W25 L69 I71 V154 I165 F167 | F2-I13 HydrophobicContact CE2-CG2 4.29Å; I13-I24 HydrophobicContact CB-CD1 4.35Å; I13-W25 HydrophobicContact CB-CZ2 4.33Å; I13-W25 HydrophobicContact CD1-CH2 3.86Å; I13-W25 HydrophobicContact CD1-CZ2 3.57Å; I13-W25 HydrophobicContact CG1-CZ2 3.87Å; I13-W25 PolarHBondContact O-NE1 3.38Å; I13-L69 HydrophobicContact CG2-CD2 4.45Å; I13-I71 HydrophobicContact CG2-CD1 3.77Å; I13-V154 HydrophobicContact CD1-CB 4.24Å; I13-V154 HydrophobicContact CD1-CG1 4.46Å; I13-V154 HydrophobicContact CD1-CG2 4.14Å; I13-I165 HydrophobicContact CD1-CB 4.46Å; I13-I165 HydrophobicContact CD1-CG2 3.8Å; I13-I165 HydrophobicContact CG1-CB 4Å; I13-I165 HydrophobicContact CG1-CG2 3.76Å; I13-I165 WeakPolarHBondContact CG1-O 3.41Å; I13-I165 PolarHBondContact N-O 2.95Å; I13-F167 HydrophobicContact CD1-CE2 3.93Å; I13-F167 HydrophobicContact CG1-CE2 4.45Å; I13-F167 HydrophobicContact CG2-CD2 4.4Å; I13-F167 HydrophobicContact CG2-CE2 4.48Å |
| 14 | L | 97.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 128.6 | 171.5 | -173.4 | 156.2 | 0 | 0 | 0 | 109.4 | L22 W25 L47 I59 I162 R164 I165 | L14-L22 HydrophobicContact CD1-CD2 4.13Å; L14-W25 HydrophobicContact CB-CZ2 3.75Å; L14-W25 HydrophobicContact CD1-CD2 4.33Å; L14-W25 HydrophobicContact CD1-CZ2 4.04Å; L14-L47 HydrophobicContact CD1-CD2 4.2Å; L14-I59 HydrophobicContact CD1-CD1 3.55Å; L14-I162 HydrophobicContact CD1-CG2 4.46Å; L14-I162 HydrophobicContact CD2-CB 4.39Å; L14-I162 HydrophobicContact CD2-CG2 3.66Å; L14-R164 CarbonylContact O-C 3.51Å; L14-R164 VanDerWaalsContact O-CA 3.28Å; L14-R164 WeakPolarHBondContact O-CA 3.31Å; L14-R164 WeakPolarHBondContact O-CG 3.39Å; L14-I165 HydrophobicContact CB-CB 4.02Å; L14-I165 HydrophobicContact CB-CD1 4.09Å; L14-I165 HydrophobicContact CB-CG1 4.1Å; L14-I165 HydrophobicContact CD1-CD1 4.05Å; L14-I165 PolarHBondContact N-O 3.24Å; L14-I165 VanDerWaalsContact N-O 3.08Å; L14-I165 PolarHBondContact O-N 2.76Å |
| 15 | F | 96.2 | Very high | 93.3 | Very high | 55 Ų | 55 | 55.2 Ų | 55.2 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 111.4 | 170.6 | 179.5 | -133.1 | 0 | 0 | 0 | 109.5 | V17 G18 P21 R163 R164 | F15-V17 HydrophobicContact CD1-CB 4.28Å; F15-V17 HydrophobicContact CE1-CB 3.72Å; F15-V17 HydrophobicContact CE1-CG1 4.1Å; F15-V17 HydrophobicContact CE2-CB 4.18Å; F15-V17 HydrophobicContact CZ-CB 3.67Å; F15-V17 HydrophobicContact CZ-CG1 4.2Å; F15-V17 HydrophobicContact CZ-CG2 4.4Å; F15-V17 PolarHBondContact O-N 3.37Å; F15-V17 VanDerWaalsContact O-N 3.12Å; F15-G18 PolarHBondContact O-N 3.45Å; F15-P21 WeakPolarHBondContact O-CB 3.38Å; F15-R163 VanDerWaalsContact CE2-CZ 3.46Å; F15-R163 VanDerWaalsContact CE2-NH2 3.3Å; F15-R164 HydrophobicContact CD2-CB 4.46Å; F15-R164 HydrophobicContact CD2-CG 4.22Å; F15-R164 VanDerWaalsContact CD2-NH2 3.32Å; F15-R164 VanDerWaalsContact CZ-NH2 3.34Å |
| 16 | S | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -16.9 | -170.3 | 62.7 | 0 | 0 | 0 | 0 | 114.8 | R36 L45 I162 R163 | S16-R36 PolarHBondContact O-NE 3.01Å; S16-R36 PolarHBondContact O-NH2 2.83Å; S16-L45 VanDerWaalsContact CB-O 3.25Å; S16-L45 WeakPolarHBondContact CB-O 3.29Å; S16-L45 PolarHBondContact OG-O 2.74Å; S16-I162 WeakPolarHBondContact CB-O 3.47Å; S16-R163 WeakPolarHBondContact CB-O 3.13Å; S16-R163 PolarHBondContact N-O 3.29Å; S16-R163 WeakPolarHBondContact OG-CA 3.43Å; S16-R163 PolarHBondContact OG-NH1 3.01Å; S16-R163 VanDerWaalsContact OG-NH1 3.13Å; S16-R163 PolarHBondContact OG-O 2.82Å |
| 17 | V | 94 | Very high | 94.5 | Very high | 59 Ų | 59 | 52.3 Ų | 52.3 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -18.1 | 176.9 | 170.4 | 0 | 0 | 0 | 0 | 112 | F15 R36 S44 L45 R163 | F15-V17 HydrophobicContact CD1-CB 4.28Å; F15-V17 HydrophobicContact CE1-CB 3.72Å; F15-V17 HydrophobicContact CE1-CG1 4.1Å; F15-V17 HydrophobicContact CE2-CB 4.18Å; F15-V17 HydrophobicContact CZ-CB 3.67Å; F15-V17 HydrophobicContact CZ-CG1 4.2Å; F15-V17 HydrophobicContact CZ-CG2 4.4Å; F15-V17 PolarHBondContact O-N 3.37Å; F15-V17 VanDerWaalsContact O-N 3.12Å; V17-R36 PolarHBondContact O-NH2 2.86Å; V17-S44 WeakPolarHBondContact CG2-OG 3.29Å; V17-L45 HydrophobicContact CG2-CB 4.24Å; V17-R163 VanDerWaalsContact CG2-CZ 3.47Å; V17-R163 VanDerWaalsContact CG2-NH1 3.28Å |
| 18 | G | 91.5 | Very high | 94.9 | Very high | 24 Ų | 24 | 55.6 Ų | 55.6 | 25% | 0.247 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -60 | 163.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F15 R36 | F15-G18 PolarHBondContact O-N 3.45Å; G18-R36 PolarHBondContact O-NH1 3.23Å; G18-R36 PolarHBondContact O-NH2 2.84Å |
| 19 | T | 92.1 | Very high | 95.3 | Very high | 135 Ų | 135 | 55.8 Ų | 55.8 | 83% | 0.828 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -65.1 | -42.9 | -178 | 52.6 | 0 | 0 | 0 | 0 | 112.4 | ||
| 20 | K | 94.8 | Very high | 95.4 | Very high | 145 Ų | 145 | 62.9 Ų | 62.9 | 63% | 0.63 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -127 | 70.4 | -179.3 | -61.8 | -178 | -179.3 | 177.3 | 0 | 111.5 | L22 Q23 | K20-L22 PolarHBondContact O-N 2.69Å; K20-Q23 HydrophobicContact CB-CB 3.97Å; K20-Q23 VanDerWaalsContact O-CB 3.32Å; K20-Q23 WeakPolarHBondContact O-CB 3.22Å; K20-Q23 PolarHBondContact O-N 2.93Å |
| 21 | P | 94.8 | Very high | 95.4 | Very high | 22 Ų | 22 | 66.4 Ų | 66.4 | 14% | 0.143 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.3 | -171.8 | 24 | -34.6 | 0 | 0 | 0 | 114.3 | F15 | F15-P21 WeakPolarHBondContact O-CB 3.38Š|
| 22 | L | 96.2 | Very high | 95.5 | Very high | 22 Ų | 22 | 66.8 Ų | 66.8 | 12% | 0.115 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 17.5 | -179.1 | -65.9 | 173.8 | 0 | 0 | 0 | 113 | L14 K20 I24 W25 K27 I34 L47 I59 | L14-L22 HydrophobicContact CD1-CD2 4.13Å; K20-L22 PolarHBondContact O-N 2.69Å; L22-I24 PolarHBondContact O-N 3.14Å; L22-W25 HydrophobicContact CB-CB 4.2Å; L22-W25 HydrophobicContact CD2-CB 3.65Å; L22-W25 HydrophobicContact CD2-CD2 4.46Å; L22-W25 HydrophobicContact CD2-CG 3.83Å; L22-W25 PolarHBondContact O-N 2.97Å; L22-K27 HydrophobicContact CD1-CD 3.76Å; L22-K27 HydrophobicContact CD1-CG 4.25Å; L22-I34 HydrophobicContact CD1-CG2 4.02Å; L22-L47 HydrophobicContact CD1-CD1 3.89Å; L22-L47 HydrophobicContact CD1-CD2 3.84Å; L22-L47 HydrophobicContact CD2-CD2 3.62Å; L22-L47 HydrophobicContact CG-CD1 4.48Å; L22-L47 HydrophobicContact CG-CD2 3.97Å; L22-I59 HydrophobicContact CD2-CB 4.47Å; L22-I59 HydrophobicContact CD2-CD1 3.99Å; L22-I59 HydrophobicContact CD2-CG2 4.04Å |
| 23 | Q | 95.8 | Very high | 95.6 | Very high | 149 Ų | 149 | 67.2 Ų | 67.2 | 70% | 0.696 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -37.6 | -177.1 | -177.4 | 177.1 | 6.8 | 0 | 0 | 113.3 | K20 | K20-Q23 HydrophobicContact CB-CB 3.97Å; K20-Q23 VanDerWaalsContact O-CB 3.32Å; K20-Q23 WeakPolarHBondContact O-CB 3.22Å; K20-Q23 PolarHBondContact O-N 2.93Å |
| 24 | I | 96.6 | Very high | 95.7 | Very high | 42 Ų | 42 | 68.2 Ų | 68.2 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 12 | -179.2 | 64.9 | 171.2 | 0 | 0 | 0 | 113 | M1 F2 I13 L22 C61 P62 A63 | M1-I24 HydrophobicContact CE-CB 3.8Å; M1-I24 HydrophobicContact CE-CD1 4.43Å; M1-I24 HydrophobicContact CE-CG2 3.66Å; F2-I24 HydrophobicContact CE2-CD1 4.4Å; F2-I24 HydrophobicContact CZ-CD1 4.27Å; I13-I24 HydrophobicContact CB-CD1 4.35Å; L22-I24 PolarHBondContact O-N 3.14Å; I24-C61 PolarHBondContact O-SG 2.81Å; I24-P62 CarbonylContact O-C 3.57Å; I24-A63 PolarHBondContact O-N 3.1Å |
| 25 | W | 98.2 | Very high | 95.7 | Very high | 9 Ų | 9 | 73.5 Ų | 73.5 | 3% | 0.034 | 37% | 0.372 | C | S | . | . | trans | -117.8 | 132.7 | -173.4 | -65.5 | 78.7 | 0 | 0 | 0 | 111.4 | I13 L14 L22 I59 S60 C61 V154 I156 I165 | I13-W25 HydrophobicContact CB-CZ2 4.33Å; I13-W25 HydrophobicContact CD1-CH2 3.86Å; I13-W25 HydrophobicContact CD1-CZ2 3.57Å; I13-W25 HydrophobicContact CG1-CZ2 3.87Å; I13-W25 PolarHBondContact O-NE1 3.38Å; L14-W25 HydrophobicContact CB-CZ2 3.75Å; L14-W25 HydrophobicContact CD1-CD2 4.33Å; L14-W25 HydrophobicContact CD1-CZ2 4.04Å; L22-W25 HydrophobicContact CB-CB 4.2Å; L22-W25 HydrophobicContact CD2-CB 3.65Å; L22-W25 HydrophobicContact CD2-CD2 4.46Å; L22-W25 HydrophobicContact CD2-CG 3.83Å; L22-W25 PolarHBondContact O-N 2.97Å; W25-I59 HydrophobicContact CD2-CD1 4.13Å; W25-I59 HydrophobicContact CD2-CG1 4.44Å; W25-I59 HydrophobicContact CE3-CB 3.75Å; W25-I59 HydrophobicContact CE3-CD1 3.65Å; W25-I59 HydrophobicContact CE3-CG1 3.53Å; W25-I59 HydrophobicContact CH2-CD1 4.5Å; W25-I59 HydrophobicContact CZ3-CB 4.4Å; W25-I59 HydrophobicContact CZ3-CD1 3.86Å; W25-I59 HydrophobicContact CZ3-CG1 3.73Å; W25-S60 CarbonylContact C-O 3.56Å; W25-S60 VanDerWaalsContact CA-O 3.29Å; W25-S60 WeakPolarHBondContact CA-O 3.21Å; W25-C61 HydrophobicContact CD2-CB 3.57Å; W25-C61 HydrophobicContact CE3-CB 3.55Å; W25-C61 HydrophobicContact CG-CB 4.23Å; W25-C61 HydrophobicContact CH2-CB 3.82Å; W25-C61 HydrophobicContact CZ2-CB 3.83Å; W25-C61 HydrophobicContact CZ3-CB 3.67Å; W25-V154 HydrophobicContact CH2-CB 4.36Å; W25-V154 HydrophobicContact CH2-CG1 4.05Å; W25-V154 HydrophobicContact CZ3-CG1 4.47Å; W25-I156 HydrophobicContact CH2-CG1 4.28Å; W25-I156 HydrophobicContact CZ3-CG1 4.2Å; W25-I165 HydrophobicContact CH2-CD1 3.76Å; W25-I165 HydrophobicContact CZ2-CD1 4.06Å | ||
| 26 | D | 97.8 | Very high | 95.7 | Very high | 75 Ų | 75 | 75.2 Ų | 75.2 | 40% | 0.401 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 153.7 | 165.3 | 179.4 | 48.7 | 0 | 0 | 0 | 110.1 | I59 S60 A63 | D26-I59 CarbonylContact O-C 3.53Å; D26-I59 WeakPolarHBondContact O-CA 3.26Å; D26-S60 PolarHBondContact N-O 3.38Å; D26-S60 PolarHBondContact O-N 3.01Å; D26-A63 HydrophobicContact CB-CB 4.13Å; D26-A63 WeakPolarHBondContact CB-O 3.19Å |
| 27 | K | 97.2 | Very high | 95.8 | Very high | 116 Ų | 116 | 77.3 Ų | 77.3 | 50% | 0.504 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 122.7 | -176.4 | -56 | -178 | -149.3 | -177.4 | 0 | 109.5 | L22 I34 I59 | L22-K27 HydrophobicContact CD1-CD 3.76Å; L22-K27 HydrophobicContact CD1-CG 4.25Å; K27-I34 HydrophobicContact CB-CD1 4.01Å; K27-I34 HydrophobicContact CG-CD1 4.37Å; K27-I59 HydrophobicContact CG-CG2 4.3Å |
| 28 | K | 97.1 | Very high | 95.9 | Very high | 105 Ų | 105 | 78.6 Ų | 78.6 | 46% | 0.457 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129 | 168.4 | -166.9 | 173.6 | -174.1 | 175.1 | 0 | 109.4 | T57 Y58 | K28-T57 CarbonylContact O-C 3.54Å; K28-T57 VanDerWaalsContact O-CA 3.23Å; K28-T57 WeakPolarHBondContact O-CA 2.98Å; K28-Y58 HydrophobicContact CB-CD1 4.36Å; K28-Y58 HydrophobicContact CB-CD2 4.19Å; K28-Y58 HydrophobicContact CB-CE1 4.09Å; K28-Y58 HydrophobicContact CB-CE2 3.89Å; K28-Y58 HydrophobicContact CB-CG 4.42Å; K28-Y58 HydrophobicContact CD-CD1 4.44Å; K28-Y58 HydrophobicContact CD-CE1 3.52Å; K28-Y58 HydrophobicContact CD-CE2 4.24Å; K28-Y58 WeakPolarHBondContact CD-OH 3.36Å; K28-Y58 HydrophobicContact CG-CE1 4.3Å; K28-Y58 PolarHBondContact N-O 2.91Å; K28-Y58 PolarHBondContact O-N 2.79Å |
| 29 | V | 96.7 | Very high | 96.2 | Very high | 69 Ų | 69 | 77.4 Ų | 77.4 | 42% | 0.418 | 38% | 0.384 | S | S | . | . | trans | -137.6 | 127.7 | -179.2 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | G32 I34 T57 | V29-G32 VanDerWaalsContact CG1-C 3.43Å; V29-G32 WeakPolarHBondContact CG1-O 3.34Å; V29-I34 HydrophobicContact CG2-CB 4.44Å; V29-I34 HydrophobicContact CG2-CD1 3.49Å; V29-I34 VanDerWaalsContact CG2-CD1 3.49Å; V29-I34 HydrophobicContact CG2-CG1 3.66Å; V29-T57 HydrophobicContact CB-CG2 4.49Å; V29-T57 HydrophobicContact CG1-CG2 4.2Å; V29-T57 HydrophobicContact CG2-CG2 4.3Å | ||
| 30 | R | 94.2 | Very high | 96.2 | Very high | 162 Ų | 162 | 77.8 Ų | 77.8 | 61% | 0.611 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -143.3 | 121.1 | 168.7 | -179.3 | -176.1 | -174.5 | -173.7 | 2.8 | 108.3 | N56 T57 | R30-N56 HydrophobicContact CB-CB 4.15Å; R30-N56 PolarHBondContact N-O 3.21Å; R30-T57 PolarHBondContact N-OG1 2.93Å; R30-T57 PolarHBondContact O-OG1 3.4Å |
| 31 | N | 93 | Very high | 96.1 | Very high | 125 Ų | 125 | 73.5 Ų | 73.5 | 67% | 0.668 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 54.1 | 56 | -176.2 | -59.5 | -13.1 | 0 | 0 | 0 | 112.5 | S52 | N31-S52 PolarHBondContact O-N 3.16Å; N31-S52 VanDerWaalsContact O-N 3.16Å |
| 32 | G | 94.8 | Very high | 96 | Very high | 36 Ų | 36 | 73 Ų | 73 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -179 | -165.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V29 L50 | V29-G32 VanDerWaalsContact CG1-C 3.43Å; V29-G32 WeakPolarHBondContact CG1-O 3.34Å; G32-L50 CarbonylContact C-O 3.45Å; G32-L50 WeakPolarHBondContact CA-O 3.37Å |
| 33 | H | 97.1 | Very high | 95.9 | Very high | 51 Ų | 51 | 78.7 Ų | 78.7 | 24% | 0.236 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 160.8 | 174.8 | 63.4 | -102.9 | 0 | 0 | 0 | 112.6 | K35 E48 L50 | H33-K35 HydrophobicContact CB-CD 4.34Å; H33-K35 HydrophobicContact CB-CG 4.19Å; H33-E48 IonicContact CD2-OE1 2.85Å; H33-E48 IonicContact CE1-OE1 2.6Å; H33-E48 IonicContact NE2-OE1 2.98Å; H33-E48 PolarHBondContact NE2-OE1 3.25Å; H33-L50 PolarHBondContact N-O 3Å; H33-L50 PolarHBondContact O-N 2.8Å |
| 34 | I | 97.6 | Very high | 95.8 | Very high | 29 Ų | 29 | 73 Ų | 73 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 107.7 | 169.1 | -58.4 | 174.7 | 0 | 0 | 0 | 106 | L22 K27 V29 L47 E48 L49 T57 I59 | L22-I34 HydrophobicContact CD1-CG2 4.02Å; K27-I34 HydrophobicContact CB-CD1 4.01Å; K27-I34 HydrophobicContact CG-CD1 4.37Å; V29-I34 HydrophobicContact CG2-CB 4.44Å; V29-I34 HydrophobicContact CG2-CD1 3.49Å; V29-I34 VanDerWaalsContact CG2-CD1 3.49Å; V29-I34 HydrophobicContact CG2-CG1 3.66Å; I34-L47 HydrophobicContact CG2-CD1 3.99Å; I34-L47 HydrophobicContact CG2-CD2 4.18Å; I34-L47 HydrophobicContact CG2-CG 4.13Å; I34-E48 CarbonylContact C-O 3.56Å; I34-E48 VanDerWaalsContact CA-O 3.31Å; I34-E48 WeakPolarHBondContact CA-O 3.41Å; I34-L49 HydrophobicContact CG1-CG 4.12Å; I34-L49 HydrophobicContact CG2-CD1 4.38Å; I34-L49 HydrophobicContact CG2-CG 4.33Å; I34-T57 HydrophobicContact CD1-CG2 4.41Å; I34-T57 HydrophobicContact CG1-CG2 4.11Å; I34-I59 HydrophobicContact CD1-CG2 3.7Å; I34-I59 HydrophobicContact CG2-CG2 4.37Å |
| 35 | K | 97.1 | Very high | 95.8 | Very high | 114 Ų | 114 | 74.1 Ų | 74.1 | 50% | 0.496 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 144.8 | -174.1 | -70.4 | 179.9 | -177.5 | 176.7 | 0 | 110.6 | H33 I37 E48 | H33-K35 HydrophobicContact CB-CD 4.34Å; H33-K35 HydrophobicContact CB-CG 4.19Å; K35-I37 HydrophobicContact CB-CG2 4.09Å; K35-E48 PolarHBondContact N-O 2.72Å; K35-E48 PolarHBondContact O-N 3.45Å |
| 36 | R | 97.3 | Very high | 95.7 | Very high | 91 Ų | 91 | 73.7 Ų | 73.7 | 34% | 0.343 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 121.4 | 168.3 | -169.3 | -179.7 | -176.1 | 179.2 | -2.3 | 107.6 | S16 V17 G18 L45 V46 L47 | S16-R36 PolarHBondContact O-NE 3.01Å; S16-R36 PolarHBondContact O-NH2 2.83Å; V17-R36 PolarHBondContact O-NH2 2.86Å; G18-R36 PolarHBondContact O-NH1 3.23Å; G18-R36 PolarHBondContact O-NH2 2.84Å; R36-L45 HydrophobicContact CG-CB 4.48Å; R36-L45 VanDerWaalsContact NH2-CD1 3.31Å; R36-V46 WeakPolarHBondContact CA-O 3.37Å; R36-L47 HydrophobicContact CB-CD1 4.46Å |
| 37 | I | 97.4 | Very high | 95.8 | Very high | 44 Ų | 44 | 70.3 Ų | 70.3 | 23% | 0.226 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 164.2 | -176.4 | 66.4 | 168.9 | 0 | 0 | 0 | 109.8 | K35 L45 V46 E48 | K35-I37 HydrophobicContact CB-CG2 4.09Å; I37-L45 CarbonylContact O-C 3.46Å; I37-L45 WeakPolarHBondContact O-CA 3.26Å; I37-V46 HydrophobicContact CD1-CG2 4.4Å; I37-V46 HydrophobicContact CG1-CG2 3.72Å; I37-V46 PolarHBondContact N-O 3.41Å; I37-V46 PolarHBondContact O-N 3.18Å; I37-E48 HydrophobicContact CD1-CB 3.93Å; I37-E48 HydrophobicContact CD1-CG 4.41Å; I37-E48 WeakPolarHBondContact CD1-OE2 3.45Å; I37-E48 HydrophobicContact CG1-CB 4.14Å |
| 38 | T | 97.1 | Very high | 95.8 | Very high | 85 Ų | 85 | 65.6 Ų | 65.6 | 52% | 0.521 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 121.2 | 166.9 | -54.8 | 0 | 0 | 0 | 0 | 108.5 | S44 | T38-S44 WeakPolarHBondContact CA-O 3.17Å |
| 39 | D | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 130.9 | 173.3 | -172.1 | -89.7 | 0 | 0 | 0 | 110 | E41 I42 Q43 S44 V46 K81 W129 R161 | D39-E41 VanDerWaalsContact C-N 3.3Å; D39-E41 PolarHBondContact O-N 3.18Å; D39-E41 VanDerWaalsContact OD1-CB 3.26Å; D39-E41 WeakPolarHBondContact OD1-CB 3.37Å; D39-E41 PolarHBondContact OD1-N 2.9Å; D39-I42 HydrophobicContact CB-CD1 4.48Å; D39-I42 HydrophobicContact CB-CG1 3.83Å; D39-I42 PolarHBondContact OD1-N 2.85Å; D39-Q43 WeakPolarHBondContact O-CA 3.34Å; D39-Q43 PolarHBondContact O-N 2.89Å; D39-S44 PolarHBondContact N-O 3.26Å; D39-V46 HydrophobicContact CB-CB 4.5Å; D39-V46 HydrophobicContact CB-CG1 3.86Å; D39-V46 HydrophobicContact CB-CG2 3.79Å; D39-K81 IonicContact OD1-NZ 3.1Å; D39-K81 PolarHBondContact OD1-NZ 2.79Å; D39-K81 VanDerWaalsContact OD1-NZ 3.1Å; D39-K81 WeakPolarHBondContact OD2-CD 3.4Å; D39-K81 IonicContact OD2-NZ 3.14Å; D39-K81 PolarHBondContact OD2-NZ 2.77Å; D39-K81 VanDerWaalsContact OD2-NZ 3.14Å; D39-W129 HydrophobicContact CB-CZ2 4.29Å; D39-R161 WeakPolarHBondContact OD2-CD 3.31Å; D39-R161 IonicContact OD2-CZ 3.7Å; D39-R161 IonicContact OD2-NE 3.92Å; D39-R161 IonicContact OD2-NH1 2.74Å; D39-R161 PolarHBondContact OD2-NH1 3.47Å |
| 40 | N | 93.2 | Very high | 95.9 | Very high | 142 Ų | 142 | 58.9 Ų | 58.9 | 76% | 0.759 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -27.7 | -175.1 | -64.1 | -16 | 0 | 0 | 0 | 113.5 | ||
| 41 | E | 91.6 | Very high | 95.9 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -42.2 | -174.2 | -172.4 | -178.9 | -174 | 0 | 0 | 111.2 | D39 K81 N128 W129 L185 P186 | D39-E41 VanDerWaalsContact C-N 3.3Å; D39-E41 PolarHBondContact O-N 3.18Å; D39-E41 VanDerWaalsContact OD1-CB 3.26Å; D39-E41 WeakPolarHBondContact OD1-CB 3.37Å; D39-E41 PolarHBondContact OD1-N 2.9Å; E41-K81 WeakPolarHBondContact OE2-CE 3.33Å; E41-K81 IonicContact OE2-NZ 2.69Å; E41-K81 PolarHBondContact OE2-NZ 2.92Å; E41-N128 WeakPolarHBondContact OE1-CB 3.45Å; E41-N128 PolarHBondContact OE1-ND2 2.85Å; E41-W129 VanDerWaalsContact OE2-CD1 3.31Å; E41-L185 HydrophobicContact CG-CD2 3.93Å; E41-P186 WeakPolarHBondContact O-CD 3.49Å; E41-P186 WeakPolarHBondContact O-CG 3.34Å |
| 42 | I | 93.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.062 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 0.1 | 179.8 | 62.1 | 162 | 0 | 0 | 0 | 113.2 | D39 S44 V46 W129 L183 L185 | D39-I42 HydrophobicContact CB-CD1 4.48Å; D39-I42 HydrophobicContact CB-CG1 3.83Å; D39-I42 PolarHBondContact OD1-N 2.85Å; I42-S44 PolarHBondContact O-N 2.74Å; I42-V46 HydrophobicContact CD1-CG1 3.73Å; I42-V46 HydrophobicContact CG1-CG1 4.49Å; I42-W129 HydrophobicContact CD1-CH2 3.97Å; I42-W129 HydrophobicContact CD1-CZ2 3.43Å; I42-W129 VanDerWaalsContact CD1-CZ2 3.43Å; I42-W129 HydrophobicContact CG1-CZ2 3.89Å; I42-W129 HydrophobicContact CG2-CG 4.46Å; I42-L183 HydrophobicContact CD1-CD1 4.03Å; I42-L183 HydrophobicContact CG2-CD1 3.92Å; I42-L183 HydrophobicContact CG2-CD2 4.32Å; I42-L183 HydrophobicContact CG2-CG 4.16Å; I42-L185 HydrophobicContact CG2-CD2 3.87Å |
| 43 | Q | 93.3 | Very high | 95.7 | Very high | 140 Ų | 140 | 52.2 Ų | 52.2 | 65% | 0.654 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 38.5 | -177.9 | -67.3 | -177.8 | -19.7 | 0 | 0 | 113.8 | D39 P186 | D39-Q43 WeakPolarHBondContact O-CA 3.34Å; D39-Q43 PolarHBondContact O-N 2.89Å; Q43-P186 HydrophobicContact CG-CB 4.47Å; Q43-P186 HydrophobicContact CG-CG 4.01Å |
| 44 | S | 93.9 | Very high | 95.3 | Very high | 30 Ų | 30 | 50.5 Ų | 50.5 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 158.9 | -172.5 | -162.3 | 0 | 0 | 0 | 0 | 111.7 | V17 T38 D39 I42 V46 | V17-S44 WeakPolarHBondContact CG2-OG 3.29Å; T38-S44 WeakPolarHBondContact CA-O 3.17Å; D39-S44 PolarHBondContact N-O 3.26Å; I42-S44 PolarHBondContact O-N 2.74Å; S44-V46 PolarHBondContact O-N 2.78Å |
| 45 | L | 96.2 | Very high | 94.9 | Very high | 65 Ų | 65 | 51.5 Ų | 51.5 | 34% | 0.34 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 127 | 178 | -67 | 172.5 | 0 | 0 | 0 | 110.1 | S16 V17 R36 I37 | S16-L45 VanDerWaalsContact CB-O 3.25Å; S16-L45 WeakPolarHBondContact CB-O 3.29Å; S16-L45 PolarHBondContact OG-O 2.74Å; V17-L45 HydrophobicContact CG2-CB 4.24Å; R36-L45 HydrophobicContact CG-CB 4.48Å; R36-L45 VanDerWaalsContact NH2-CD1 3.31Å; I37-L45 CarbonylContact O-C 3.46Å; I37-L45 WeakPolarHBondContact O-CA 3.26Å |
| 46 | V | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 158.6 | 177.5 | -58.6 | 0 | 0 | 0 | 0 | 109.9 | R36 I37 D39 I42 S44 W129 R161 | R36-V46 WeakPolarHBondContact CA-O 3.37Å; I37-V46 HydrophobicContact CD1-CG2 4.4Å; I37-V46 HydrophobicContact CG1-CG2 3.72Å; I37-V46 PolarHBondContact N-O 3.41Å; I37-V46 PolarHBondContact O-N 3.18Å; D39-V46 HydrophobicContact CB-CB 4.5Å; D39-V46 HydrophobicContact CB-CG1 3.86Å; D39-V46 HydrophobicContact CB-CG2 3.79Å; I42-V46 HydrophobicContact CD1-CG1 3.73Å; I42-V46 HydrophobicContact CG1-CG1 4.49Å; S44-V46 PolarHBondContact O-N 2.78Å; V46-W129 HydrophobicContact CB-CH2 4.28Å; V46-W129 HydrophobicContact CG1-CH2 3.52Å; V46-W129 HydrophobicContact CG1-CZ2 3.73Å; V46-R161 HydrophobicContact CB-CB 4.31Å; V46-R161 HydrophobicContact CG2-CB 3.99Å; V46-R161 HydrophobicContact CG2-CG 4.21Å |
| 47 | L | 97.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 110.2 | 172.7 | -168.2 | 75.5 | 0 | 0 | 0 | 109.6 | L14 L22 I34 R36 L49 I59 R161 I162 | L14-L47 HydrophobicContact CD1-CD2 4.2Å; L22-L47 HydrophobicContact CD1-CD1 3.89Å; L22-L47 HydrophobicContact CD1-CD2 3.84Å; L22-L47 HydrophobicContact CD2-CD2 3.62Å; L22-L47 HydrophobicContact CG-CD1 4.48Å; L22-L47 HydrophobicContact CG-CD2 3.97Å; I34-L47 HydrophobicContact CG2-CD1 3.99Å; I34-L47 HydrophobicContact CG2-CD2 4.18Å; I34-L47 HydrophobicContact CG2-CG 4.13Å; R36-L47 HydrophobicContact CB-CD1 4.46Å; L47-L49 HydrophobicContact CB-CD1 4.45Å; L47-L49 HydrophobicContact CD2-CD1 3.76Å; L47-L49 HydrophobicContact CG-CD1 3.81Å; L47-I59 HydrophobicContact CD2-CD1 4.09Å; L47-R161 CarbonylContact O-C 3.57Å; L47-R161 WeakPolarHBondContact O-CA 3.35Å; L47-I162 HydrophobicContact CB-CB 4.4Å; L47-I162 PolarHBondContact N-O 2.91Å; L47-I162 PolarHBondContact O-N 3.19Å |
| 48 | E | 98.2 | Very high | 94.7 | Very high | 18 Ų | 18 | 43.7 Ų | 43.7 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 125.8 | 175.4 | -175.5 | 176 | 81.7 | 0 | 0 | 110.5 | H33 I34 K35 I37 L50 R161 | H33-E48 IonicContact CD2-OE1 2.85Å; H33-E48 IonicContact CE1-OE1 2.6Å; H33-E48 IonicContact NE2-OE1 2.98Å; H33-E48 PolarHBondContact NE2-OE1 3.25Å; I34-E48 CarbonylContact C-O 3.56Å; I34-E48 VanDerWaalsContact CA-O 3.31Å; I34-E48 WeakPolarHBondContact CA-O 3.41Å; K35-E48 PolarHBondContact N-O 2.72Å; K35-E48 PolarHBondContact O-N 3.45Å; I37-E48 HydrophobicContact CD1-CB 3.93Å; I37-E48 HydrophobicContact CD1-CG 4.41Å; I37-E48 WeakPolarHBondContact CD1-OE2 3.45Å; I37-E48 HydrophobicContact CG1-CB 4.14Å; E48-L50 HydrophobicContact CG-CD1 4.05Å; E48-L50 HydrophobicContact CG-CG 3.87Å; E48-L50 WeakPolarHBondContact OE1-CD1 3.08Å; E48-R161 HydrophobicContact CB-CG 4.01Å; E48-R161 HydrophobicContact CG-CG 4.03Å; E48-R161 IonicContact OE2-CZ 3.32Å; E48-R161 VanDerWaalsContact OE2-CZ 3.32Å; E48-R161 IonicContact OE2-NE 2.89Å; E48-R161 PolarHBondContact OE2-NE 2.77Å; E48-R161 IonicContact OE2-NH2 2.85Å; E48-R161 PolarHBondContact OE2-NH2 3.11Å |
| 49 | L | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 120.8 | 169.8 | -68.5 | 65.4 | 0 | 0 | 0 | 107.3 | I34 L47 I59 A158 N159 C160 I162 | I34-L49 HydrophobicContact CG1-CG 4.12Å; I34-L49 HydrophobicContact CG2-CD1 4.38Å; I34-L49 HydrophobicContact CG2-CG 4.33Å; L47-L49 HydrophobicContact CB-CD1 4.45Å; L47-L49 HydrophobicContact CD2-CD1 3.76Å; L47-L49 HydrophobicContact CG-CD1 3.81Å; L49-I59 HydrophobicContact CD2-CD1 4.35Å; L49-I59 HydrophobicContact CD2-CG1 4.03Å; L49-I59 HydrophobicContact CD2-CG2 4.16Å; L49-A158 HydrophobicContact CB-CB 4.47Å; L49-N159 VanDerWaalsContact O-CA 3.29Å; L49-N159 WeakPolarHBondContact O-CA 3.26Å; L49-N159 PolarHBondContact O-N 2.96Å; L49-C160 PolarHBondContact N-O 2.86Å; L49-C160 PolarHBondContact O-N 2.87Å; L49-I162 HydrophobicContact CD1-CD1 3.58Å; L49-I162 HydrophobicContact CD1-CG1 4.12Å; L49-I162 HydrophobicContact CD2-CD1 4.25Å |
| 50 | L | 97.1 | Very high | 94.9 | Very high | 33 Ų | 33 | 40 Ų | 40 | 17% | 0.173 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 143.3 | 177 | -77.4 | 178.2 | 0 | 0 | 0 | 110.1 | G32 H33 E48 L83 | G32-L50 CarbonylContact C-O 3.45Å; G32-L50 WeakPolarHBondContact CA-O 3.37Å; H33-L50 PolarHBondContact N-O 3Å; H33-L50 PolarHBondContact O-N 2.8Å; E48-L50 HydrophobicContact CG-CD1 4.05Å; E48-L50 HydrophobicContact CG-CG 3.87Å; E48-L50 WeakPolarHBondContact OE1-CD1 3.08Å; L50-L83 HydrophobicContact CD2-CD1 3.63Å; L50-L83 HydrophobicContact CG-CD1 4.43Å |
| 51 | G | 94.8 | Very high | 95.1 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 11% | 0.113 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 145.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | N53 N159 | G51-N53 VanDerWaalsContact C-N 3.25Å; G51-N53 PolarHBondContact O-N 2.86Å; G51-N159 PolarHBondContact N-OD1 2.78Å; G51-N159 PolarHBondContact O-ND2 3.21Å; G51-N159 PolarHBondContact O-OD1 3.24Å |
| 52 | S | 92.1 | Very high | 95.4 | Very high | 101 Ų | 101 | 30.7 Ų | 30.7 | 71% | 0.706 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -66.4 | -29.6 | 177.3 | 57.1 | 0 | 0 | 0 | 0 | 112.7 | N31 | N31-S52 PolarHBondContact O-N 3.16Å; N31-S52 VanDerWaalsContact O-N 3.16Å |
| 53 | N | 90.8 | Very high | 95.6 | Very high | 71 Ų | 71 | 32.1 Ų | 32.1 | 38% | 0.38 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -124 | 122 | 171.2 | -176.1 | -14.6 | 0 | 0 | 0 | 110.3 | G51 S55 N56 | G51-N53 VanDerWaalsContact C-N 3.25Å; G51-N53 PolarHBondContact O-N 2.86Å; N53-S55 PolarHBondContact ND2-OG 2.97Å; N53-S55 PolarHBondContact O-N 3.23Å; N53-S55 VanDerWaalsContact O-N 3.16Å; N53-S55 PolarHBondContact OD1-N 3.33Å; N53-S55 PolarHBondContact OD1-OG 3.07Å; N53-N56 HydrophobicContact CB-CB 4.4Å; N53-N56 PolarHBondContact O-N 3.37Å |
| 54 | V | 89 | Confident | 95.8 | Very high | 14 Ų | 14 | 28.1 Ų | 28.1 | 9% | 0.085 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31 | -179.3 | 76.6 | 0 | 0 | 0 | 0 | 112.9 | N56 Y86 Y108 H157 | V54-N56 VanDerWaalsContact C-N 3.27Å; V54-N56 PolarHBondContact O-N 2.89Å; V54-Y86 WeakPolarHBondContact CG2-O 3.22Å; V54-Y108 HydrophobicContact CG1-CE1 4.17Å; V54-H157 HydrophobicContact CG2-CB 3.6Å; V54-H157 WeakPolarHBondContact O-CB 3.23Å; V54-H157 PolarHBondContact O-ND1 2.95Å |
| 55 | S | 90 | Very high | 95.8 | Very high | 51 Ų | 51 | 31.7 Ų | 31.7 | 36% | 0.357 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -19.1 | -178.9 | 66.4 | 0 | 0 | 0 | 0 | 113.9 | N53 | N53-S55 PolarHBondContact ND2-OG 2.97Å; N53-S55 PolarHBondContact O-N 3.23Å; N53-S55 VanDerWaalsContact O-N 3.16Å; N53-S55 PolarHBondContact OD1-N 3.33Å; N53-S55 PolarHBondContact OD1-OG 3.07Å |
| 56 | N | 93.5 | Very high | 95.8 | Very high | 46 Ų | 46 | 39.7 Ų | 39.7 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | -12.3 | -164.8 | -70.7 | -12.2 | 0 | 0 | 0 | 114 | R30 N53 V54 | R30-N56 HydrophobicContact CB-CB 4.15Å; R30-N56 PolarHBondContact N-O 3.21Å; N53-N56 HydrophobicContact CB-CB 4.4Å; N53-N56 PolarHBondContact O-N 3.37Å; V54-N56 VanDerWaalsContact C-N 3.27Å; V54-N56 PolarHBondContact O-N 2.89Å |
| 57 | T | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -127.6 | 117.2 | 175.2 | -63.8 | 0 | 0 | 0 | 0 | 109.2 | K28 V29 R30 I34 A158 | K28-T57 CarbonylContact O-C 3.54Å; K28-T57 VanDerWaalsContact O-CA 3.23Å; K28-T57 WeakPolarHBondContact O-CA 2.98Å; V29-T57 HydrophobicContact CB-CG2 4.49Å; V29-T57 HydrophobicContact CG1-CG2 4.2Å; V29-T57 HydrophobicContact CG2-CG2 4.3Å; R30-T57 PolarHBondContact N-OG1 2.93Å; R30-T57 PolarHBondContact O-OG1 3.4Å; I34-T57 HydrophobicContact CD1-CG2 4.41Å; I34-T57 HydrophobicContact CG1-CG2 4.11Å; T57-A158 HydrophobicContact CG2-CB 4.01Å; T57-A158 WeakPolarHBondContact O-CB 3.47Å; T57-A158 PolarHBondContact O-N 2.67Å |
| 58 | Y | 98 | Very high | 95.7 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 15% | 0.153 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 162.5 | -178.2 | 60 | -102.1 | 0 | 0 | 0 | 112 | K28 Q155 I156 | K28-Y58 HydrophobicContact CB-CD1 4.36Å; K28-Y58 HydrophobicContact CB-CD2 4.19Å; K28-Y58 HydrophobicContact CB-CE1 4.09Å; K28-Y58 HydrophobicContact CB-CE2 3.89Å; K28-Y58 HydrophobicContact CB-CG 4.42Å; K28-Y58 HydrophobicContact CD-CD1 4.44Å; K28-Y58 HydrophobicContact CD-CE1 3.52Å; K28-Y58 HydrophobicContact CD-CE2 4.24Å; K28-Y58 WeakPolarHBondContact CD-OH 3.36Å; K28-Y58 HydrophobicContact CG-CE1 4.3Å; K28-Y58 PolarHBondContact N-O 2.91Å; K28-Y58 PolarHBondContact O-N 2.79Å; Y58-Q155 HydrophobicContact CD2-CG 3.67Å; Y58-Q155 HydrophobicContact CE2-CG 4.32Å; Y58-Q155 HydrophobicContact CG-CG 3.96Å; Y58-I156 CarbonylContact C-O 3.51Å; Y58-I156 WeakPolarHBondContact CA-O 3.34Å; Y58-I156 VanDerWaalsContact CB-O 3.22Å; Y58-I156 WeakPolarHBondContact CB-O 3.17Å |
| 59 | I | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 144.1 | 164.6 | 60.1 | 179.1 | 0 | 0 | 0 | 109.8 | L14 L22 W25 D26 K27 I34 L47 L49 Q155 I156 I162 | L14-I59 HydrophobicContact CD1-CD1 3.55Å; L22-I59 HydrophobicContact CD2-CB 4.47Å; L22-I59 HydrophobicContact CD2-CD1 3.99Å; L22-I59 HydrophobicContact CD2-CG2 4.04Å; W25-I59 HydrophobicContact CD2-CD1 4.13Å; W25-I59 HydrophobicContact CD2-CG1 4.44Å; W25-I59 HydrophobicContact CE3-CB 3.75Å; W25-I59 HydrophobicContact CE3-CD1 3.65Å; W25-I59 HydrophobicContact CE3-CG1 3.53Å; W25-I59 HydrophobicContact CH2-CD1 4.5Å; W25-I59 HydrophobicContact CZ3-CB 4.4Å; W25-I59 HydrophobicContact CZ3-CD1 3.86Å; W25-I59 HydrophobicContact CZ3-CG1 3.73Å; D26-I59 CarbonylContact O-C 3.53Å; D26-I59 WeakPolarHBondContact O-CA 3.26Å; K27-I59 HydrophobicContact CG-CG2 4.3Å; I34-I59 HydrophobicContact CD1-CG2 3.7Å; I34-I59 HydrophobicContact CG2-CG2 4.37Å; L47-I59 HydrophobicContact CD2-CD1 4.09Å; L49-I59 HydrophobicContact CD2-CD1 4.35Å; L49-I59 HydrophobicContact CD2-CG1 4.03Å; L49-I59 HydrophobicContact CD2-CG2 4.16Å; I59-Q155 CarbonylContact O-C 3.53Å; I59-Q155 VanDerWaalsContact O-CA 3.29Å; I59-Q155 WeakPolarHBondContact O-CA 3.43Å; I59-Q155 WeakPolarHBondContact O-CG 3.32Å; I59-I156 HydrophobicContact CD1-CB 4.32Å; I59-I156 HydrophobicContact CD1-CG1 4.49Å; I59-I156 HydrophobicContact CG1-CB 3.9Å; I59-I156 HydrophobicContact CG1-CG1 4.34Å; I59-I156 PolarHBondContact N-O 2.84Å; I59-I156 PolarHBondContact O-N 3.01Å; I59-I162 HydrophobicContact CD1-CD1 3.81Å |
| 60 | S | 98.3 | Very high | 95.6 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 5% | 0.049 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.8 | 179 | -162.9 | 0 | 0 | 0 | 0 | 111.3 | W25 D26 R153 V154 | W25-S60 CarbonylContact C-O 3.56Å; W25-S60 VanDerWaalsContact CA-O 3.29Å; W25-S60 WeakPolarHBondContact CA-O 3.21Å; D26-S60 PolarHBondContact N-O 3.38Å; D26-S60 PolarHBondContact O-N 3.01Å; S60-R153 PolarHBondContact OG-NH1 2.79Å; S60-V154 CarbonylContact C-O 3.5Å; S60-V154 WeakPolarHBondContact CA-O 3.46Å |
| 61 | C | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126 | 176.8 | -167.5 | 0 | 0 | 0 | 0 | 110 | I24 W25 R153 V154 | I24-C61 PolarHBondContact O-SG 2.81Å; W25-C61 HydrophobicContact CD2-CB 3.57Å; W25-C61 HydrophobicContact CE3-CB 3.55Å; W25-C61 HydrophobicContact CG-CB 4.23Å; W25-C61 HydrophobicContact CH2-CB 3.82Å; W25-C61 HydrophobicContact CZ2-CB 3.83Å; W25-C61 HydrophobicContact CZ3-CB 3.67Å; C61-R153 CarbonylContact O-C 3.59Å; C61-R153 VanDerWaalsContact O-CA 3.24Å; C61-R153 WeakPolarHBondContact O-CA 3.38Å; C61-R153 WeakPolarHBondContact O-CG 3.49Å; C61-V154 PolarHBondContact N-O 2.73Å; C61-V154 PolarHBondContact O-N 3.09Å |
| 62 | P | 98.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | S | Bend | cis | -71.2 | 157.6 | 5.2 | -24.1 | 38.9 | 0 | 0 | 0 | 114.6 | M1 I24 D64 K67 L69 L152 R153 | M1-P62 HydrophobicContact CG-CG 4.24Å; M1-P62 HydrophobicContact SD-CB 3.43Å; M1-P62 WeakPolarHBondContact SD-CB 3.3Å; M1-P62 HydrophobicContact SD-CG 3.46Å; M1-P62 WeakPolarHBondContact SD-CG 3.36Å; I24-P62 CarbonylContact O-C 3.57Å; P62-D64 VanDerWaalsContact C-N 3.29Å; P62-D64 PolarHBondContact O-N 2.88Å; P62-K67 HydrophobicContact CB-CB 4.03Å; P62-K67 HydrophobicContact CG-CB 4.16Å; P62-L69 HydrophobicContact CG-CD2 4.44Å; P62-L69 HydrophobicContact CG-CG 4.12Å; P62-L152 WeakPolarHBondContact CD-O 3.24Å; P62-R153 PolarHBondContact O-NH1 2.9Å |
| 63 | A | 97.2 | Very high | 96 | Very high | 42 Ų | 42 | 45.1 Ų | 45.1 | 35% | 0.347 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -58.6 | -41.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I24 D26 P65 | I24-A63 PolarHBondContact O-N 3.1Å; D26-A63 HydrophobicContact CB-CB 4.13Å; D26-A63 WeakPolarHBondContact CB-O 3.19Å; A63-P65 WeakPolarHBondContact O-CD 3.18Å |
| 64 | D | 97 | Very high | 96.3 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 31% | 0.305 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -77.1 | 121.4 | 174.5 | -176.6 | -13.7 | 0 | 0 | 0 | 110.2 | P62 R66 K67 R153 | P62-D64 VanDerWaalsContact C-N 3.29Å; P62-D64 PolarHBondContact O-N 2.88Å; D64-R66 PolarHBondContact O-N 3.06Å; D64-R66 WeakPolarHBondContact OD1-CB 3.32Å; D64-R66 PolarHBondContact OD1-N 2.91Å; D64-K67 HydrophobicContact CB-CB 4.21Å; D64-K67 HydrophobicContact CB-CD 3.91Å; D64-K67 HydrophobicContact CB-CG 3.92Å; D64-K67 PolarHBondContact O-N 3.43Å; D64-K67 WeakPolarHBondContact OD2-CE 3.49Å; D64-R153 PolarHBondContact O-NH2 2.83Å |
| 65 | P | 94.9 | Very high | 96.8 | Very high | 104 Ų | 104 | 43.8 Ų | 43.8 | 68% | 0.675 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.7 | 178.2 | 24.5 | -33.6 | 0 | 0 | 0 | 113.5 | A63 R153 | A63-P65 WeakPolarHBondContact O-CD 3.18Å; P65-R153 VanDerWaalsContact CA-NH2 3.28Å; P65-R153 PolarHBondContact O-NH2 2.86Å |
| 66 | R | 95.6 | Very high | 97.1 | Very high | 234 Ų | 234 | 41.4 Ų | 41.4 | 88% | 0.883 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -14.9 | -178.7 | -56.9 | 174.5 | -176.8 | 173 | 1 | 112.9 | D64 | D64-R66 PolarHBondContact O-N 3.06Å; D64-R66 WeakPolarHBondContact OD1-CB 3.32Å; D64-R66 PolarHBondContact OD1-N 2.91Å |
| 67 | K | 96.3 | Very high | 97.3 | Very high | 125 Ų | 125 | 39.2 Ų | 39.2 | 54% | 0.543 | 19% | 0.194 | S | C | . | . | trans | -93.2 | 157.9 | 179.8 | -66.9 | -177 | -174.3 | 176.4 | 0 | 111.6 | P62 D64 R153 | P62-K67 HydrophobicContact CB-CB 4.03Å; P62-K67 HydrophobicContact CG-CB 4.16Å; D64-K67 HydrophobicContact CB-CB 4.21Å; D64-K67 HydrophobicContact CB-CD 3.91Å; D64-K67 HydrophobicContact CB-CG 3.92Å; D64-K67 PolarHBondContact O-N 3.43Å; D64-K67 WeakPolarHBondContact OD2-CE 3.49Å; K67-R153 PolarHBondContact O-NH2 2.95Å | ||
| 68 | A | 97.1 | Very high | 97.4 | Very high | 26 Ų | 26 | 39.2 Ų | 39.2 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | trans | -118 | 147.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | M1 L152 | M1-A68 PolarHBondContact N-O 3.11Å; A68-L152 WeakPolarHBondContact CA-O 3.33Å; A68-L152 HydrophobicContact CB-CB 4.42Å; A68-L152 HydrophobicContact CB-CD2 3.83Å | ||
| 69 | L | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -59.2 | -56.5 | 170.4 | -81.7 | 169.3 | 0 | 0 | 0 | 110 | M1 F2 I13 P62 I71 V151 L152 V154 | M1-L69 CarbonylContact C-O 3.51Å; M1-L69 WeakPolarHBondContact CA-O 3.41Å; M1-L69 PolarHBondContact N-O 3.25Å; M1-L69 HydrophobicContact SD-CD2 4.4Å; F2-L69 HydrophobicContact CD2-CD2 3.89Å; F2-L69 HydrophobicContact CE2-CD2 3.67Å; F2-L69 PolarHBondContact N-O 2.78Å; I13-L69 HydrophobicContact CG2-CD2 4.45Å; P62-L69 HydrophobicContact CG-CD2 4.44Å; P62-L69 HydrophobicContact CG-CG 4.12Å; L69-I71 HydrophobicContact CB-CD1 4.14Å; L69-I71 HydrophobicContact CB-CG1 4.09Å; L69-I71 HydrophobicContact CD1-CD1 4.28Å; L69-I71 HydrophobicContact CD2-CD1 4.06Å; L69-I71 HydrophobicContact CG-CD1 4.39Å; L69-V151 WeakPolarHBondContact CB-O 3.43Å; L69-V151 HydrophobicContact CD1-CG1 4.02Å; L69-L152 PolarHBondContact N-O 3.17Å; L69-V154 HydrophobicContact CD1-CB 4.42Å; L69-V154 HydrophobicContact CD1-CG2 3.88Å | ||
| 70 | G | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | 73.3 | 39.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | R3 Q7 E150 V151 | R3-G70 WeakPolarHBondContact CA-O 3.47Å; R3-G70 PolarHBondContact N-O 3.29Å; Q7-G70 PolarHBondContact NE2-O 2.89Å; G70-E150 VanDerWaalsContact CA-OE2 3.3Å; G70-E150 WeakPolarHBondContact CA-OE2 3.48Å; G70-V151 PolarHBondContact N-O 3.43Å | ||
| 71 | I | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -92.9 | 125.1 | -179.6 | -65 | 172.7 | 0 | 0 | 0 | 109.1 | F2 Q7 L11 I13 L69 L73 F148 E150 V151 F167 | F2-I71 HydrophobicContact CB-CG1 4.09Å; F2-I71 HydrophobicContact CD2-CD1 4.01Å; F2-I71 HydrophobicContact CD2-CG1 3.92Å; F2-I71 HydrophobicContact CE2-CD1 4.47Å; F2-I71 HydrophobicContact CG-CG1 4.29Å; Q7-I71 VanDerWaalsContact OE1-CA 3.26Å; L11-I71 HydrophobicContact CD2-CB 4.49Å; L11-I71 HydrophobicContact CD2-CD1 3.7Å; L11-I71 HydrophobicContact CD2-CG1 3.63Å; L11-I71 HydrophobicContact CD2-CG2 4.16Å; I13-I71 HydrophobicContact CG2-CD1 3.77Å; L69-I71 HydrophobicContact CB-CD1 4.14Å; L69-I71 HydrophobicContact CB-CG1 4.09Å; L69-I71 HydrophobicContact CD1-CD1 4.28Å; L69-I71 HydrophobicContact CD2-CD1 4.06Å; L69-I71 HydrophobicContact CG-CD1 4.39Å; I71-L73 HydrophobicContact CG2-CB 3.93Å; I71-L73 HydrophobicContact CG2-CG 4.34Å; I71-F148 WeakPolarHBondContact O-CZ 3.27Å; I71-E150 CarbonylContact O-C 3.58Å; I71-E150 WeakPolarHBondContact O-CA 3.12Å; I71-E150 WeakPolarHBondContact O-CB 3.35Å; I71-V151 HydrophobicContact CB-CB 4.32Å; I71-V151 PolarHBondContact N-O 3.39Å; I71-V151 PolarHBondContact O-N 3.46Å; I71-F167 HydrophobicContact CD1-CD2 3.58Å; I71-F167 HydrophobicContact CD1-CE2 3.61Å; I71-F167 HydrophobicContact CD1-CG 4.37Å; I71-F167 HydrophobicContact CD1-CZ 4.43Å; I71-F167 HydrophobicContact CG2-CB 3.95Å; I71-F167 HydrophobicContact CG2-CD1 3.88Å; I71-F167 HydrophobicContact CG2-CD2 3.98Å; I71-F167 HydrophobicContact CG2-CE1 4.37Å; I71-F167 HydrophobicContact CG2-CE2 4.45Å; I71-F167 HydrophobicContact CG2-CG 3.67Å |
| 72 | K | 97.5 | Very high | 97.2 | Very high | 121 Ų | 121 | 39.2 Ų | 39.2 | 53% | 0.526 | 20% | 0.195 | S | C | . | . | trans | -99.8 | -5.4 | -177.7 | -57.8 | -178.3 | -178.8 | 179.2 | 0 | 113.2 | F148 E150 | K72-F148 WeakPolarHBondContact O-CE1 3.44Å; K72-E150 HydrophobicContact CG-CB 4.47Å | ||
| 73 | L | 97.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | trans | -68.4 | 129.5 | 176.5 | -64.1 | 177.2 | 0 | 0 | 0 | 110.2 | Q7 L11 I71 F167 D169 | Q7-L73 HydrophobicContact CB-CD1 4.48Å; Q7-L73 HydrophobicContact CB-CD2 4.27Å; Q7-L73 HydrophobicContact CB-CG 4.16Å; L11-L73 HydrophobicContact CB-CD1 3.65Å; I71-L73 HydrophobicContact CG2-CB 3.93Å; I71-L73 HydrophobicContact CG2-CG 4.34Å; L73-F167 HydrophobicContact CB-CB 3.76Å; L73-F167 HydrophobicContact CD1-CB 3.84Å; L73-F167 HydrophobicContact CG-CB 4.44Å; L73-D169 HydrophobicContact CD2-CB 3.9Å | ||
| 74 | P | 97.1 | Very high | 97 | Very high | 31 Ų | 31 | 45 Ų | 45 | 20% | 0.201 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -78.4 | -23.7 | -168.2 | 28.8 | -34.9 | 0 | 0 | 0 | 114.6 | V136 A137 C168 D169 | P74-V136 VanDerWaalsContact O-CB 3.27Å; P74-V136 WeakPolarHBondContact O-CB 3.19Å; P74-V136 WeakPolarHBondContact O-CG2 3.48Å; P74-V136 PolarHBondContact O-N 3.03Å; P74-A137 HydrophobicContact CB-CB 3.83Å; P74-C168 WeakPolarHBondContact CD-O 3.2Å; P74-D169 WeakPolarHBondContact CG-O 3.49Å |
| 75 | F | 97.6 | Very high | 97 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 126.9 | -177.2 | -62 | -81.2 | 0 | 0 | 0 | 110.7 | N135 F167 C168 D169 L171 | F75-N135 HydrophobicContact CD1-CB 3.92Å; F75-N135 HydrophobicContact CE1-CB 3.71Å; F75-N135 VanDerWaalsContact CE1-CG 3.4Å; F75-N135 VanDerWaalsContact CE1-ND2 3.34Å; F75-N135 WeakPolarHBondContact CE1-ND2 3.42Å; F75-F167 CarbonylContact O-C 3.57Å; F75-F167 WeakPolarHBondContact O-CA 3.22Å; F75-F167 WeakPolarHBondContact O-CD1 3.35Å; F75-C168 PolarHBondContact N-O 3.42Å; F75-C168 PolarHBondContact O-N 2.73Å; F75-D169 WeakPolarHBondContact CE2-O 3.29Å; F75-L171 HydrophobicContact CD1-CD2 3.57Å; F75-L171 HydrophobicContact CD1-CG 3.93Å; F75-L171 HydrophobicContact CE1-CD1 4.13Å; F75-L171 HydrophobicContact CE1-CD2 3.84Å; F75-L171 HydrophobicContact CE1-CG 3.68Å; F75-L171 HydrophobicContact CG-CD2 4.09Å; F75-L171 HydrophobicContact CG-CG 4.48Å; F75-L171 HydrophobicContact CZ-CG 4.06Å |
| 76 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 130.6 | 166.2 | 170.3 | 63.1 | 0 | 0 | 0 | 108.7 | L78 I91 F134 V136 I165 F167 | L76-L78 HydrophobicContact CD1-CD1 3.82Å; L76-L78 HydrophobicContact CD2-CD1 3.62Å; L76-L78 HydrophobicContact CG-CD1 3.45Å; L76-L78 VanDerWaalsContact CG-CD1 3.45Å; L76-I91 HydrophobicContact CB-CD1 4.47Å; L76-I91 HydrophobicContact CD2-CD1 3.29Å; L76-I91 HydrophobicContact CD2-CG1 3.68Å; L76-I91 HydrophobicContact CG-CD1 4.48Å; L76-F134 HydrophobicContact CB-CB 4.26Å; L76-F134 PolarHBondContact N-O 3.05Å; L76-F134 PolarHBondContact O-N 2.79Å; L76-V136 HydrophobicContact CB-CG2 4.23Å; L76-I165 HydrophobicContact CD1-CG2 3.63Å; L76-F167 HydrophobicContact CB-CD1 4.03Å; L76-F167 HydrophobicContact CB-CE1 3.65Å; L76-F167 HydrophobicContact CB-CZ 4.18Å; L76-F167 HydrophobicContact CD1-CD1 4.4Å; L76-F167 HydrophobicContact CD1-CD2 4.24Å; L76-F167 HydrophobicContact CD1-CE1 3.98Å; L76-F167 HydrophobicContact CD1-CE2 3.82Å; L76-F167 HydrophobicContact CD1-CZ 3.68Å; L76-F167 HydrophobicContact CD2-CZ 4.47Å; L76-F167 HydrophobicContact CG-CE1 4.27Å; L76-F167 HydrophobicContact CG-CZ 4.31Å |
| 77 | V | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128.4 | 175.8 | -171.2 | 0 | 0 | 0 | 0 | 110.6 | I132 Y133 I165 Y166 | V77-I132 VanDerWaalsContact CA-O 3.29Å; V77-I132 WeakPolarHBondContact CA-O 3.35Å; V77-Y133 HydrophobicContact CG1-CD1 4.14Å; V77-Y133 HydrophobicContact CG1-CE1 4Å; V77-Y133 HydrophobicContact CG2-CD1 3.62Å; V77-Y133 HydrophobicContact CG2-CE1 3.91Å; V77-I165 WeakPolarHBondContact O-CA 3.24Å; V77-Y166 HydrophobicContact CB-CD1 4.08Å; V77-Y166 HydrophobicContact CB-CD2 4.24Å; V77-Y166 HydrophobicContact CB-CE1 3.63Å; V77-Y166 HydrophobicContact CB-CE2 3.79Å; V77-Y166 HydrophobicContact CB-CG 4.39Å; V77-Y166 VanDerWaalsContact CB-CZ 3.48Å; V77-Y166 HydrophobicContact CG1-CD1 4.47Å; V77-Y166 HydrophobicContact CG1-CE1 3.65Å; V77-Y166 HydrophobicContact CG1-CE2 4.39Å; V77-Y166 HydrophobicContact CG2-CD2 4.42Å; V77-Y166 HydrophobicContact CG2-CE1 4.46Å; V77-Y166 HydrophobicContact CG2-CE2 3.77Å; V77-Y166 PolarHBondContact N-O 3.05Å; V77-Y166 PolarHBondContact O-N 2.94Å |
| 78 | L | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124.3 | 173.1 | -70.6 | 69 | 0 | 0 | 0 | 109 | L76 V80 F89 I132 I156 I165 | L76-L78 HydrophobicContact CD1-CD1 3.82Å; L76-L78 HydrophobicContact CD2-CD1 3.62Å; L76-L78 HydrophobicContact CG-CD1 3.45Å; L76-L78 VanDerWaalsContact CG-CD1 3.45Å; L78-V80 HydrophobicContact CB-CG1 4.07Å; L78-F89 HydrophobicContact CD2-CB 4.22Å; L78-F89 HydrophobicContact CD2-CD1 4Å; L78-F89 HydrophobicContact CD2-CG 4.05Å; L78-I132 HydrophobicContact CB-CB 4.21Å; L78-I132 HydrophobicContact CB-CD1 4.34Å; L78-I132 PolarHBondContact N-O 2.92Å; L78-I132 PolarHBondContact O-N 2.83Å; L78-I156 HydrophobicContact CD2-CD1 3.64Å; L78-I156 HydrophobicContact CG-CD1 4.49Å; L78-I165 HydrophobicContact CD1-CG2 4.4Å; L78-I165 HydrophobicContact CG-CG1 4.34Å; L78-I165 HydrophobicContact CG-CG2 4.27Å |
| 79 | I | 96.9 | Very high | 97.3 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 102.4 | 169.2 | -49.5 | -174.6 | 0 | 0 | 0 | 107.1 | W129 N130 N131 R163 R164 Y166 L183 | I79-W129 HydrophobicContact CG2-CE3 4Å; I79-W129 HydrophobicContact CG2-CZ3 4.27Å; I79-N130 WeakPolarHBondContact CA-O 3.43Å; I79-N131 WeakPolarHBondContact CG1-OD1 3.33Å; I79-R163 HydrophobicContact CB-CB 4.12Å; I79-R163 HydrophobicContact CG2-CB 3.87Å; I79-R163 HydrophobicContact CG2-CG 4.28Å; I79-R163 PolarHBondContact O-N 2.98Å; I79-R164 HydrophobicContact CB-CB 4.4Å; I79-R164 HydrophobicContact CD1-CB 4.08Å; I79-R164 HydrophobicContact CG1-CB 4.27Å; I79-R164 PolarHBondContact N-O 3.39Å; I79-Y166 HydrophobicContact CD1-CE1 4.28Å; I79-Y166 HydrophobicContact CG1-CE1 4.41Å; I79-L183 HydrophobicContact CG2-CD1 4.44Å |
| 80 | V | 97.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 144.1 | -172.4 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | L78 W129 N130 I132 R161 I162 | L78-V80 HydrophobicContact CB-CG1 4.07Å; V80-W129 VanDerWaalsContact C-CE3 3.47Å; V80-N130 PolarHBondContact N-O 2.88Å; V80-N130 PolarHBondContact O-N 3.11Å; V80-I132 HydrophobicContact CG2-CD1 3.46Å; V80-I132 VanDerWaalsContact CG2-CD1 3.46Å; V80-I132 HydrophobicContact CG2-CG1 4.16Å; V80-R161 CarbonylContact C-O 3.59Å; V80-R161 WeakPolarHBondContact CA-O 3.22Å; V80-I162 HydrophobicContact CG1-CB 4.47Å; V80-I162 HydrophobicContact CG1-CG1 4.2Å; V80-I162 HydrophobicContact CG1-CG2 4.3Å |
| 81 | K | 98 | Very high | 97.4 | Very high | 23 Ų | 23 | 32.6 Ų | 32.6 | 10% | 0.1 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 126.3 | 169.9 | -161.2 | 175.1 | -178.8 | 149.1 | 0 | 110 | D39 E41 N128 W129 R161 | D39-K81 IonicContact OD1-NZ 3.1Å; D39-K81 PolarHBondContact OD1-NZ 2.79Å; D39-K81 VanDerWaalsContact OD1-NZ 3.1Å; D39-K81 WeakPolarHBondContact OD2-CD 3.4Å; D39-K81 IonicContact OD2-NZ 3.14Å; D39-K81 PolarHBondContact OD2-NZ 2.77Å; D39-K81 VanDerWaalsContact OD2-NZ 3.14Å; E41-K81 WeakPolarHBondContact OE2-CE 3.33Å; E41-K81 IonicContact OE2-NZ 2.69Å; E41-K81 PolarHBondContact OE2-NZ 2.92Å; K81-N128 CarbonylContact C-O 3.56Å; K81-N128 WeakPolarHBondContact CA-O 3.44Å; K81-W129 HydrophobicContact CB-CD2 3.92Å; K81-W129 HydrophobicContact CB-CE3 4.05Å; K81-W129 HydrophobicContact CB-CG 4.49Å; K81-W129 HydrophobicContact CB-CH2 4.1Å; K81-W129 HydrophobicContact CB-CZ2 3.98Å; K81-W129 HydrophobicContact CB-CZ3 4.13Å; K81-W129 HydrophobicContact CD-CZ2 4.22Å; K81-W129 HydrophobicContact CG-CD2 4.31Å; K81-W129 HydrophobicContact CG-CG 4.44Å; K81-R161 HydrophobicContact CB-CB 3.92Å; K81-R161 PolarHBondContact N-O 3.4Å; K81-R161 PolarHBondContact O-N 2.76Å |
| 82 | N | 96.8 | Very high | 97.5 | Very high | 16 Ų | 16 | 35 Ų | 35 | 9% | 0.086 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 122.2 | 168.9 | -177.7 | 9.5 | 0 | 0 | 0 | 109.6 | N84 L125 E126 N128 | N82-N84 VanDerWaalsContact C-N 3.33Å; N82-N84 PolarHBondContact ND2-OD1 3.45Å; N82-N84 WeakPolarHBondContact OD1-CA 3.35Å; N82-N84 PolarHBondContact OD1-N 2.82Å; N82-L125 HydrophobicContact CB-CB 4.1Å; N82-L125 HydrophobicContact CB-CD1 4.25Å; N82-E126 WeakPolarHBondContact CB-O 3.33Å; N82-E126 PolarHBondContact ND2-O 2.95Å; N82-N128 PolarHBondContact N-O 2.95Å |
| 83 | L | 96.6 | Very high | 97.5 | Very high | 37 Ų | 37 | 29.3 Ų | 29.3 | 19% | 0.194 | 14% | 0.138 | C | C | . | . | trans | -96.1 | 16 | 177.1 | -58.3 | -175.8 | 0 | 0 | 0 | 112.6 | L50 K85 R161 | L50-L83 HydrophobicContact CD2-CD1 3.63Å; L50-L83 HydrophobicContact CG-CD1 4.43Å; L83-K85 PolarHBondContact O-N 2.89Å; L83-R161 HydrophobicContact CD1-CG 4.37Å; L83-R161 HydrophobicContact CD2-CG 4.11Å | ||
| 84 | N | 95.4 | Very high | 97.6 | Very high | 130 Ų | 130 | 30.8 Ų | 30.8 | 70% | 0.695 | 15% | 0.145 | S | C | * | . | S | Bend | trans | 53.7 | 41.9 | -175.7 | -61.1 | -34 | 0 | 0 | 0 | 112.4 | N82 | N82-N84 VanDerWaalsContact C-N 3.33Å; N82-N84 PolarHBondContact ND2-OD1 3.45Å; N82-N84 WeakPolarHBondContact OD1-CA 3.35Å; N82-N84 PolarHBondContact OD1-N 2.82Å |
| 85 | K | 96 | Very high | 97.6 | Very high | 109 Ų | 109 | 29.4 Ų | 29.4 | 47% | 0.474 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -138.7 | 166.1 | -177.7 | -77.7 | -178.7 | -176.4 | -175.7 | 0 | 109.7 | L83 F87 N107 N159 | L83-K85 PolarHBondContact O-N 2.89Å; K85-F87 PolarHBondContact O-N 3.1Å; K85-N107 PolarHBondContact O-ND2 2.84Å; K85-N159 HydrophobicContact CB-CB 3.59Å; K85-N159 HydrophobicContact CD-CB 4.31Å |
| 86 | Y | 97.1 | Very high | 97.7 | Very high | 158 Ų | 158 | 32.1 Ų | 32.1 | 62% | 0.62 | 15% | 0.152 | S | C | * | . | trans | -63.6 | 117.8 | 177.3 | -66.3 | -25.9 | 0 | 0 | 0 | 112 | V54 N107 Y108 N159 | V54-Y86 WeakPolarHBondContact CG2-O 3.22Å; Y86-N107 WeakPolarHBondContact CA-OD1 3.2Å; Y86-Y108 AromaticContact CD1-CD1 3.89Å; Y86-Y108 HydrophobicContact CD1-CD1 3.89Å; Y86-Y108 HydrophobicContact CD1-CG 4.23Å; Y86-Y108 AromaticContact CG-CD1 3.79Å; Y86-Y108 HydrophobicContact CG-CD1 3.79Å; Y86-Y108 HydrophobicContact CG-CG 4.37Å; Y86-N159 VanDerWaalsContact O-CB 3.29Å; Y86-N159 WeakPolarHBondContact O-CB 3.4Å; Y86-N159 PolarHBondContact O-ND2 2.89Å | ||
| 87 | F | 97.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | trans | -124.7 | 150.9 | -177.7 | 171.7 | -105.5 | 0 | 0 | 0 | 110.6 | K85 F89 S106 N107 L123 L125 I132 I156 C160 | K85-F87 PolarHBondContact O-N 3.1Å; F87-F89 HydrophobicContact CE1-CD1 4.06Å; F87-F89 HydrophobicContact CZ-CB 4.42Å; F87-F89 HydrophobicContact CZ-CD1 4.4Å; F87-S106 WeakPolarHBondContact O-CA 3.25Å; F87-N107 PolarHBondContact N-OD1 2.84Å; F87-N107 PolarHBondContact O-N 2.95Å; F87-N107 PolarHBondContact O-OD1 2.99Å; F87-L123 HydrophobicContact CD1-CD2 3.73Å; F87-L123 HydrophobicContact CE1-CD2 3.76Å; F87-L125 HydrophobicContact CB-CD1 4.29Å; F87-L125 HydrophobicContact CD1-CD1 3.82Å; F87-L125 HydrophobicContact CG-CD1 4.36Å; F87-I132 HydrophobicContact CE1-CD1 4.27Å; F87-I156 HydrophobicContact CE2-CG2 3.74Å; F87-I156 HydrophobicContact CZ-CG2 4.03Å; F87-C160 HydrophobicContact CD2-CB 3.56Å; F87-C160 HydrophobicContact CE2-CB 3.59Å; F87-C160 WeakPolarHBondContact CE2-SG 3.2Å; F87-C160 HydrophobicContact CG-CB 4.39Å; F87-C160 HydrophobicContact CZ-CB 4.4Å | ||
| 88 | T | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 148.2 | 179.5 | -64.9 | 0 | 0 | 0 | 0 | 111 | E90 R104 A105 S106 Y108 H157 | T88-E90 HydrophobicContact CG2-CG 4.43Å; T88-R104 HydrophobicContact CG2-CG 3.68Å; T88-A105 VanDerWaalsContact CA-O 3.29Å; T88-A105 WeakPolarHBondContact CA-O 3.38Å; T88-S106 WeakPolarHBondContact CG2-OG 3.48Å; T88-S106 WeakPolarHBondContact OG1-CB 3.45Å; T88-S106 PolarHBondContact OG1-OG 2.81Å; T88-Y108 WeakPolarHBondContact OG1-CE1 3.48Å; T88-Y108 VanDerWaalsContact OG1-CZ 3.27Å; T88-Y108 PolarHBondContact OG1-OH 2.82Å; T88-H157 VanDerWaalsContact O-CB 3.24Å; T88-H157 WeakPolarHBondContact O-CB 3.31Å; T88-H157 PolarHBondContact O-CD2 2.94Å; T88-H157 PolarHBondContact O-N 2.87Å |
| 89 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 155.2 | 160.8 | 69.7 | -92.9 | 0 | 0 | 0 | 110.9 | L78 F87 I91 R104 A105 L123 I132 F134 Q155 I156 | L78-F89 HydrophobicContact CD2-CB 4.22Å; L78-F89 HydrophobicContact CD2-CD1 4Å; L78-F89 HydrophobicContact CD2-CG 4.05Å; F87-F89 HydrophobicContact CE1-CD1 4.06Å; F87-F89 HydrophobicContact CZ-CB 4.42Å; F87-F89 HydrophobicContact CZ-CD1 4.4Å; F89-I91 HydrophobicContact CD2-CD1 4.42Å; F89-I91 HydrophobicContact CD2-CG1 4.07Å; F89-I91 HydrophobicContact CE2-CD1 3.96Å; F89-I91 HydrophobicContact CE2-CG1 4.1Å; F89-R104 WeakPolarHBondContact O-CA 3.29Å; F89-A105 HydrophobicContact CD1-CB 4.13Å; F89-A105 HydrophobicContact CE1-CB 3.54Å; F89-A105 HydrophobicContact CE2-CB 4.04Å; F89-A105 HydrophobicContact CZ-CB 3.48Å; F89-A105 VanDerWaalsContact CZ-CB 3.48Å; F89-A105 PolarHBondContact N-O 2.87Å; F89-A105 PolarHBondContact O-N 2.93Å; F89-L123 HydrophobicContact CD1-CD2 4.08Å; F89-L123 HydrophobicContact CE1-CD1 4.17Å; F89-L123 HydrophobicContact CE1-CD2 3.88Å; F89-I132 HydrophobicContact CE1-CD1 4.47Å; F89-I132 HydrophobicContact CE1-CG2 4.08Å; F89-I132 HydrophobicContact CZ-CG2 4.33Å; F89-F134 AromaticContact CE2-CD2 4Å; F89-F134 HydrophobicContact CE2-CD2 4Å; F89-F134 HydrophobicContact CE2-CE2 4.36Å; F89-F134 HydrophobicContact CE2-CG 4.34Å; F89-F134 AromaticContact CZ-CD2 3.78Å; F89-F134 HydrophobicContact CZ-CD2 3.78Å; F89-F134 HydrophobicContact CZ-CE2 4.36Å; F89-F134 HydrophobicContact CZ-CG 4.35Å; F89-Q155 CarbonylContact C-O 3.57Å; F89-Q155 VanDerWaalsContact CA-O 3.29Å; F89-Q155 WeakPolarHBondContact CA-O 3.14Å; F89-I156 HydrophobicContact CB-CD1 3.63Å |
| 90 | E | 98.3 | Very high | 97.8 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 143 | 176.5 | -54.9 | -175.6 | -173 | 0 | 0 | 110.4 | T88 R102 F103 R104 V154 Q155 H157 | T88-E90 HydrophobicContact CG2-CG 4.43Å; E90-R102 WeakPolarHBondContact OE2-CD 3.42Å; E90-R102 IonicContact OE2-CZ 3.18Å; E90-R102 IonicContact OE2-NE 2.8Å; E90-R102 IonicContact OE2-NH1 3.32Å; E90-R102 PolarHBondContact OE2-NH1 2.9Å; E90-F103 CarbonylContact C-O 3.57Å; E90-F103 WeakPolarHBondContact CA-O 3.19Å; E90-R104 HydrophobicContact CG-CB 4.06Å; E90-R104 HydrophobicContact CG-CG 3.95Å; E90-R104 IonicContact OE1-CZ 2.8Å; E90-R104 IonicContact OE1-NE 3.68Å; E90-R104 IonicContact OE1-NH1 3.85Å; E90-V154 WeakPolarHBondContact O-CA 3.39Å; E90-Q155 HydrophobicContact CB-CB 4.26Å; E90-Q155 PolarHBondContact N-O 2.91Å; E90-Q155 PolarHBondContact O-N 3.18Å; E90-H157 IonicContact OE1-CE1 2.73Å; E90-H157 IonicContact OE1-NE2 3.91Å; E90-H157 PolarHBondContact OE1-NE2 2.9Å |
| 91 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128.7 | 172.8 | -46.9 | 168.8 | 0 | 0 | 0 | 107.5 | L76 F89 I93 R102 F103 F134 V136 V151 R153 | L76-I91 HydrophobicContact CB-CD1 4.47Å; L76-I91 HydrophobicContact CD2-CD1 3.29Å; L76-I91 HydrophobicContact CD2-CG1 3.68Å; L76-I91 HydrophobicContact CG-CD1 4.48Å; F89-I91 HydrophobicContact CD2-CD1 4.42Å; F89-I91 HydrophobicContact CD2-CG1 4.07Å; F89-I91 HydrophobicContact CE2-CD1 3.96Å; F89-I91 HydrophobicContact CE2-CG1 4.1Å; I91-I93 HydrophobicContact CG2-CG2 3.82Å; I91-R102 CarbonylContact O-C 3.52Å; I91-R102 WeakPolarHBondContact O-CA 3.31Å; I91-F103 PolarHBondContact N-O 2.83Å; I91-F103 PolarHBondContact O-N 2.79Å; I91-F134 HydrophobicContact CD1-CD1 3.42Å; I91-F134 VanDerWaalsContact CD1-CD1 3.42Å; I91-F134 HydrophobicContact CD1-CE1 3.52Å; I91-F134 HydrophobicContact CD1-CG 4Å; I91-F134 HydrophobicContact CD1-CZ 4.18Å; I91-V136 HydrophobicContact CD1-CG2 4.24Å; I91-V151 HydrophobicContact CG2-CG1 3.73Å; I91-V151 HydrophobicContact CG2-CG2 4.16Å; I91-R153 CarbonylContact C-O 3.5Å; I91-R153 WeakPolarHBondContact CA-O 3.4Å |
| 92 | Q | 98.6 | Very high | 97.8 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 24% | 0.243 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.4 | 168.4 | -168.4 | -179.3 | 21.3 | 0 | 0 | 109.3 | R101 L152 R153 | Q92-R101 CarbonylContact C-O 3.52Å; Q92-R101 WeakPolarHBondContact CA-O 3.38Å; Q92-L152 HydrophobicContact CB-CB 4.38Å; Q92-L152 HydrophobicContact CG-CB 4.33Å; Q92-L152 HydrophobicContact CG-CD1 4.26Å; Q92-L152 PolarHBondContact O-N 2.7Å; Q92-R153 HydrophobicContact CB-CB 3.99Å; Q92-R153 PolarHBondContact N-O 2.82Å; Q92-R153 PolarHBondContact O-N 2.86Å |
| 93 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 161.2 | -178.9 | 66.9 | 88.9 | 0 | 0 | 0 | 110.9 | I91 D95 K100 R101 F103 V136 T140 F148 E150 V151 | I91-I93 HydrophobicContact CG2-CG2 3.82Å; I93-D95 HydrophobicContact CD1-CB 4.19Å; I93-K100 WeakPolarHBondContact O-CA 3.24Å; I93-R101 HydrophobicContact CD1-CB 3.98Å; I93-R101 HydrophobicContact CD1-CG 4.39Å; I93-R101 HydrophobicContact CG1-CB 4.17Å; I93-R101 PolarHBondContact N-O 3.02Å; I93-R101 PolarHBondContact O-N 2.87Å; I93-F103 HydrophobicContact CG1-CD2 4.3Å; I93-F103 HydrophobicContact CG1-CE2 3.98Å; I93-V136 HydrophobicContact CG2-CG1 3.58Å; I93-T140 HydrophobicContact CD1-CG2 3.94Å; I93-F148 HydrophobicContact CB-CD2 4.13Å; I93-F148 HydrophobicContact CB-CE2 4.22Å; I93-F148 HydrophobicContact CG2-CD2 4.21Å; I93-F148 HydrophobicContact CG2-CE2 4.02Å; I93-E150 CarbonylContact C-O 3.45Å; I93-E150 WeakPolarHBondContact CA-O 3.47Å; I93-V151 HydrophobicContact CG2-CG2 4.22Å |
| 94 | L | 98.5 | Very high | 98 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 135.2 | 163.7 | -174.1 | 65.9 | 0 | 0 | 0 | 108 | G98 K100 V149 E150 L152 | L94-G98 WeakPolarHBondContact CD1-O 3.28Å; L94-K100 HydrophobicContact CD1-CG 4.31Å; L94-V149 WeakPolarHBondContact O-CB 3.42Å; L94-V149 PolarHBondContact O-N 3.27Å; L94-E150 HydrophobicContact CB-CG 4.07Å; L94-E150 HydrophobicContact CD2-CG 4.36Å; L94-E150 PolarHBondContact N-O 3Å; L94-E150 PolarHBondContact O-N 2.83Å; L94-L152 HydrophobicContact CB-CD1 4.17Å; L94-L152 HydrophobicContact CB-CD2 4.2Å; L94-L152 HydrophobicContact CB-CG 4.24Å |
| 95 | D | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.011 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 177.4 | 170.5 | 71.2 | 4.5 | 0 | 0 | 0 | 112.3 | I93 E97 G98 V99 R101 T140 T146 N147 V149 | I93-D95 HydrophobicContact CD1-CB 4.19Å; D95-E97 PolarHBondContact O-N 2.98Å; D95-E97 PolarHBondContact OD1-N 2.92Å; D95-G98 PolarHBondContact O-N 2.85Å; D95-G98 PolarHBondContact OD1-N 2.9Å; D95-V99 PolarHBondContact N-O 2.9Å; D95-V99 WeakPolarHBondContact OD1-CA 3.47Å; D95-V99 WeakPolarHBondContact OD1-CB 3.47Å; D95-V99 PolarHBondContact OD1-N 2.9Å; D95-R101 IonicContact OD2-CZ 3.71Å; D95-R101 IonicContact OD2-NE 3.44Å; D95-R101 PolarHBondContact OD2-NE 2.86Å; D95-R101 IonicContact OD2-NH2 3.81Å; D95-R101 PolarHBondContact OD2-NH2 2.57Å; D95-T140 HydrophobicContact CB-CG2 4.22Å; D95-T146 WeakPolarHBondContact CB-OG1 3.5Å; D95-T146 WeakPolarHBondContact OD2-CB 3.34Å; D95-T146 WeakPolarHBondContact OD2-CG2 3.23Å; D95-T146 PolarHBondContact OD2-OG1 3.3Å; D95-N147 CarbonylContact C-O 3.53Å; D95-N147 WeakPolarHBondContact CA-O 3.46Å; D95-N147 WeakPolarHBondContact CB-O 3.37Å; D95-V149 VanDerWaalsContact C-CG2 3.4Å |
| 96 | D | 98.4 | Very high | 98.3 | Very high | 85 Ų | 85 | 42.5 Ų | 42.5 | 46% | 0.455 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -12.8 | -178 | 60.6 | -19.8 | 0 | 0 | 0 | 114.2 | T146 N147 V149 | D96-T146 VanDerWaalsContact OD1-CB 3.28Å; D96-T146 WeakPolarHBondContact OD1-CB 3.49Å; D96-N147 HydrophobicContact CB-CB 4.35Å; D96-N147 PolarHBondContact N-O 2.96Å; D96-N147 PolarHBondContact OD1-N 3.46Å; D96-N147 WeakPolarHBondContact OD2-CB 3.17Å; D96-N147 PolarHBondContact OD2-ND2 3.44Å; D96-V149 HydrophobicContact CB-CG2 4.11Å |
| 97 | E | 98 | Very high | 98.2 | Very high | 134 Ų | 134 | 37.2 Ų | 37.2 | 63% | 0.626 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -0.2 | 167.2 | -64.9 | -174.9 | 165 | 0 | 0 | 112.5 | D95 V99 R101 T146 | D95-E97 PolarHBondContact O-N 2.98Å; D95-E97 PolarHBondContact OD1-N 2.92Å; E97-V99 HydrophobicContact CB-CG2 4.01Å; E97-V99 PolarHBondContact O-N 2.82Å; E97-R101 IonicContact OE2-NH2 2.87Å; E97-R101 PolarHBondContact OE2-NH2 2.87Å; E97-T146 HydrophobicContact CB-CG2 4.41Å; E97-T146 HydrophobicContact CG-CG2 3.64Å; E97-T146 WeakPolarHBondContact OE2-CG2 3.25Å |
| 98 | G | 98 | Very high | 98.1 | Very high | 51 Ų | 51 | 40.7 Ų | 40.7 | 53% | 0.526 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 75.2 | 12.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L94 D95 | L94-G98 WeakPolarHBondContact CD1-O 3.28Å; D95-G98 PolarHBondContact O-N 2.85Å; D95-G98 PolarHBondContact OD1-N 2.9Å |
| 99 | V | 98.4 | Very high | 98 | Very high | 36 Ų | 36 | 42.9 Ų | 42.9 | 22% | 0.218 | 21% | 0.21 | C | C | . | . | trans | -88 | 131.5 | -178.5 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | D95 E97 R101 F117 | D95-V99 PolarHBondContact N-O 2.9Å; D95-V99 WeakPolarHBondContact OD1-CA 3.47Å; D95-V99 WeakPolarHBondContact OD1-CB 3.47Å; D95-V99 PolarHBondContact OD1-N 2.9Å; E97-V99 HydrophobicContact CB-CG2 4.01Å; E97-V99 PolarHBondContact O-N 2.82Å; V99-R101 HydrophobicContact CB-CG 4.5Å; V99-R101 HydrophobicContact CG1-CG 4Å; V99-F117 HydrophobicContact CG1-CD1 4.03Å; V99-F117 HydrophobicContact CG1-CE1 4.05Å | ||
| 100 | K | 98.4 | Very high | 97.9 | Very high | 128 Ų | 128 | 47.6 Ų | 47.6 | 56% | 0.557 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 118.7 | 172.2 | -64.5 | -178.5 | -175.6 | 169.2 | 0 | 109.6 | I93 L94 L152 | I93-K100 WeakPolarHBondContact O-CA 3.24Å; L94-K100 HydrophobicContact CD1-CG 4.31Å; K100-L152 HydrophobicContact CD-CD1 3.96Å; K100-L152 HydrophobicContact CG-CD1 3.8Å |
| 101 | R | 98.4 | Very high | 97.9 | Very high | 20 Ų | 20 | 50 Ų | 50 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 152.4 | 179.6 | -51.5 | -166.4 | -168.1 | -103.5 | 5 | 111 | Q92 I93 D95 E97 V99 P116 Y144 | Q92-R101 CarbonylContact C-O 3.52Å; Q92-R101 WeakPolarHBondContact CA-O 3.38Å; I93-R101 HydrophobicContact CD1-CB 3.98Å; I93-R101 HydrophobicContact CD1-CG 4.39Å; I93-R101 HydrophobicContact CG1-CB 4.17Å; I93-R101 PolarHBondContact N-O 3.02Å; I93-R101 PolarHBondContact O-N 2.87Å; D95-R101 IonicContact OD2-CZ 3.71Å; D95-R101 IonicContact OD2-NE 3.44Å; D95-R101 PolarHBondContact OD2-NE 2.86Å; D95-R101 IonicContact OD2-NH2 3.81Å; D95-R101 PolarHBondContact OD2-NH2 2.57Å; E97-R101 IonicContact OE2-NH2 2.87Å; E97-R101 PolarHBondContact OE2-NH2 2.87Å; V99-R101 HydrophobicContact CB-CG 4.5Å; V99-R101 HydrophobicContact CG1-CG 4Å; R101-P116 PolarHBondContact NH1-O 3.09Å; R101-Y144 HydrophobicContact CB-CE2 3.94Å; R101-Y144 HydrophobicContact CG-CD2 4.43Å; R101-Y144 HydrophobicContact CG-CE2 4.22Å |
| 102 | R | 98.6 | Very high | 97.9 | Very high | 101 Ų | 101 | 54 Ų | 54 | 38% | 0.381 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.9 | 178.5 | -165.9 | -178.3 | -56.1 | -170.5 | 6.3 | 110.9 | E90 I91 F117 I118 C119 | E90-R102 WeakPolarHBondContact OE2-CD 3.42Å; E90-R102 IonicContact OE2-CZ 3.18Å; E90-R102 IonicContact OE2-NE 2.8Å; E90-R102 IonicContact OE2-NH1 3.32Å; E90-R102 PolarHBondContact OE2-NH1 2.9Å; I91-R102 CarbonylContact O-C 3.52Å; I91-R102 WeakPolarHBondContact O-CA 3.31Å; R102-F117 PolarHBondContact N-O 3.47Å; R102-I118 HydrophobicContact CB-CB 4.32Å; R102-I118 HydrophobicContact CB-CG1 4.11Å; R102-I118 CarbonylContact O-C 3.59Å; R102-I118 VanDerWaalsContact O-CA 3.26Å; R102-I118 WeakPolarHBondContact O-CA 3.45Å; R102-C119 PolarHBondContact O-N 2.79Å |
| 103 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 135.6 | 165.3 | -70 | -76.1 | 0 | 0 | 0 | 109.1 | E90 I91 I93 C119 M121 F134 F139 A143 Y144 | E90-F103 CarbonylContact C-O 3.57Å; E90-F103 WeakPolarHBondContact CA-O 3.19Å; I91-F103 PolarHBondContact N-O 2.83Å; I91-F103 PolarHBondContact O-N 2.79Å; I93-F103 HydrophobicContact CG1-CD2 4.3Å; I93-F103 HydrophobicContact CG1-CE2 3.98Å; F103-C119 CarbonylContact C-O 3.57Å; F103-C119 WeakPolarHBondContact CA-O 3.06Å; F103-C119 HydrophobicContact CD1-CB 3.61Å; F103-C119 HydrophobicContact CE1-CB 3.62Å; F103-M121 HydrophobicContact CD1-CE 3.51Å; F103-M121 HydrophobicContact CE1-CE 4.15Å; F103-M121 HydrophobicContact CG-CE 4.44Å; F103-F134 HydrophobicContact CB-CE1 4.37Å; F103-F134 HydrophobicContact CB-CZ 3.75Å; F103-F134 HydrophobicContact CD1-CZ 4.15Å; F103-F134 HydrophobicContact CD2-CZ 4.46Å; F103-F134 HydrophobicContact CG-CE1 4.36Å; F103-F134 AromaticContact CG-CZ 3.87Å; F103-F134 HydrophobicContact CG-CZ 3.87Å; F103-F139 HydrophobicContact CD1-CB 4.4Å; F103-F139 HydrophobicContact CE1-CB 3.88Å; F103-F139 HydrophobicContact CZ-CB 3.99Å; F103-A143 HydrophobicContact CE1-CB 4.04Å; F103-A143 HydrophobicContact CZ-CB 4.31Å; F103-Y144 HydrophobicContact CE1-CE2 4.01Å; F103-Y144 HydrophobicContact CE2-CE2 4.3Å; F103-Y144 HydrophobicContact CZ-CD2 4.1Å; F103-Y144 AromaticContact CZ-CE2 3.61Å; F103-Y144 HydrophobicContact CZ-CE2 3.61Å |
| 104 | R | 98.5 | Very high | 97.8 | Very high | 65 Ų | 65 | 62.3 Ų | 62.3 | 25% | 0.245 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 117.7 | 174.7 | 175.6 | 172.4 | 172.5 | 168.9 | -4.5 | 109.3 | T88 F89 E90 Y108 C119 T120 M121 | T88-R104 HydrophobicContact CG2-CG 3.68Å; F89-R104 WeakPolarHBondContact O-CA 3.29Å; E90-R104 HydrophobicContact CG-CB 4.06Å; E90-R104 HydrophobicContact CG-CG 3.95Å; E90-R104 IonicContact OE1-CZ 2.8Å; E90-R104 IonicContact OE1-NE 3.68Å; E90-R104 IonicContact OE1-NH1 3.85Å; R104-Y108 PolarHBondContact NH2-OH 3.28Å; R104-C119 PolarHBondContact N-O 2.9Å; R104-T120 HydrophobicContact CB-CG2 4.29Å; R104-T120 CarbonylContact O-C 3.57Å; R104-T120 VanDerWaalsContact O-CA 3.28Å; R104-T120 WeakPolarHBondContact O-CA 3.29Å; R104-M121 PolarHBondContact O-N 2.86Å |
| 105 | A | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 67 Ų | 67 | 2% | 0.017 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | T88 F89 M121 L123 | T88-A105 VanDerWaalsContact CA-O 3.29Å; T88-A105 WeakPolarHBondContact CA-O 3.38Å; F89-A105 HydrophobicContact CD1-CB 4.13Å; F89-A105 HydrophobicContact CE1-CB 3.54Å; F89-A105 HydrophobicContact CE2-CB 4.04Å; F89-A105 HydrophobicContact CZ-CB 3.48Å; F89-A105 VanDerWaalsContact CZ-CB 3.48Å; F89-A105 PolarHBondContact N-O 2.87Å; F89-A105 PolarHBondContact O-N 2.93Å; A105-M121 WeakPolarHBondContact CA-O 3.41Å; A105-M121 HydrophobicContact CB-CG 3.89Å; A105-L123 HydrophobicContact CB-CB 4.21Å |
| 106 | S | 97.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.014 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 141.5 | -172.5 | -62.2 | 0 | 0 | 0 | 0 | 111 | F87 T88 Y108 Q109 M121 P122 L123 | F87-S106 WeakPolarHBondContact O-CA 3.25Å; T88-S106 WeakPolarHBondContact CG2-OG 3.48Å; T88-S106 WeakPolarHBondContact OG1-CB 3.45Å; T88-S106 PolarHBondContact OG1-OG 2.81Å; S106-Y108 VanDerWaalsContact C-N 3.27Å; S106-Y108 PolarHBondContact O-N 2.97Å; S106-Y108 PolarHBondContact OG-OH 3.44Å; S106-Q109 PolarHBondContact O-N 2.8Å; S106-M121 PolarHBondContact N-O 3.03Å; S106-M121 VanDerWaalsContact N-O 3.11Å; S106-P122 CarbonylContact O-C 3.59Å; S106-L123 PolarHBondContact O-N 3.12Å |
| 107 | N | 96.7 | Very high | 97.7 | Very high | 48 Ų | 48 | 73.7 Ų | 73.7 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -4.8 | 179.7 | 68.3 | -11.8 | 0 | 0 | 0 | 114.8 | K85 Y86 F87 L123 L125 | K85-N107 PolarHBondContact O-ND2 2.84Å; Y86-N107 WeakPolarHBondContact CA-OD1 3.2Å; F87-N107 PolarHBondContact N-OD1 2.84Å; F87-N107 PolarHBondContact O-N 2.95Å; F87-N107 PolarHBondContact O-OD1 2.99Å; N107-L123 WeakPolarHBondContact CA-O 3.35Å; N107-L123 VanDerWaalsContact CB-O 3.3Å; N107-L123 WeakPolarHBondContact CB-O 3.37Å; N107-L125 HydrophobicContact CB-CD1 4.48Å |
| 108 | Y | 95.6 | Very high | 97.8 | Very high | 74 Ų | 74 | 69.7 Ų | 69.7 | 29% | 0.29 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -3.2 | 172.2 | 52.7 | -95.5 | 0 | 0 | 0 | 113 | V54 Y86 T88 R104 S106 | V54-Y108 HydrophobicContact CG1-CE1 4.17Å; Y86-Y108 AromaticContact CD1-CD1 3.89Å; Y86-Y108 HydrophobicContact CD1-CD1 3.89Å; Y86-Y108 HydrophobicContact CD1-CG 4.23Å; Y86-Y108 AromaticContact CG-CD1 3.79Å; Y86-Y108 HydrophobicContact CG-CD1 3.79Å; Y86-Y108 HydrophobicContact CG-CG 4.37Å; T88-Y108 WeakPolarHBondContact OG1-CE1 3.48Å; T88-Y108 VanDerWaalsContact OG1-CZ 3.27Å; T88-Y108 PolarHBondContact OG1-OH 2.82Å; R104-Y108 PolarHBondContact NH2-OH 3.28Å; S106-Y108 VanDerWaalsContact C-N 3.27Å; S106-Y108 PolarHBondContact O-N 2.97Å; S106-Y108 PolarHBondContact OG-OH 3.44Å |
| 109 | Q | 95.9 | Very high | 97.8 | Very high | 46 Ų | 46 | 67.4 Ų | 67.4 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | trans | -81 | 128.9 | 174 | -175.8 | 67.1 | 36.4 | 0 | 0 | 108.3 | S106 T111 P122 | S106-Q109 PolarHBondContact O-N 2.8Å; Q109-T111 VanDerWaalsContact CG-O 3.32Å; Q109-T111 WeakPolarHBondContact CG-O 3.29Å; Q109-T111 PolarHBondContact NE2-O 2.97Å; Q109-P122 WeakPolarHBondContact O-CA 3.42Å; Q109-P122 VanDerWaalsContact O-CB 3.26Å; Q109-P122 WeakPolarHBondContact O-CB 3.28Å | ||
| 110 | S | 96.2 | Very high | 97.8 | Very high | 100 Ų | 100 | 67 Ų | 67 | 70% | 0.699 | 33% | 0.33 | S | S | * | . | trans | -90.3 | -35.9 | -179 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 111 | T | 97.1 | Very high | 97.8 | Very high | 66 Ų | 66 | 61.4 Ų | 61.4 | 41% | 0.405 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -132.5 | 149.7 | -175 | 59 | 0 | 0 | 0 | 0 | 112.2 | Q109 | Q109-T111 VanDerWaalsContact CG-O 3.32Å; Q109-T111 WeakPolarHBondContact CG-O 3.29Å; Q109-T111 PolarHBondContact NE2-O 2.97Å |
| 112 | T | 98 | Very high | 97.7 | Very high | 84 Ų | 84 | 63.3 Ų | 63.3 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | trans | -69.5 | 134.3 | 171.6 | -58.9 | 0 | 0 | 0 | 0 | 110.1 | V114 T120 M121 P122 | T112-V114 HydrophobicContact CG2-CG2 4.34Å; T112-T120 CarbonylContact C-O 3.53Å; T112-T120 VanDerWaalsContact CA-O 3.24Å; T112-T120 WeakPolarHBondContact CA-O 3.22Å; T112-M121 HydrophobicContact CG2-CB 4.33Å; T112-P122 WeakPolarHBondContact OG1-CD 3.49Å | ||
| 113 | R | 98.2 | Very high | 97.7 | Very high | 148 Ų | 148 | 59.6 Ų | 59.6 | 56% | 0.558 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 123.1 | 174.8 | -59.4 | -178.1 | -176.5 | -92 | 2.1 | 109.1 | C119 T120 | R113-C119 CarbonylContact O-C 3.57Å; R113-C119 VanDerWaalsContact O-CA 3.31Å; R113-C119 WeakPolarHBondContact O-CA 3.46Å; R113-T120 PolarHBondContact N-O 3.06Å; R113-T120 PolarHBondContact O-N 3.08Å |
| 114 | V | 98.3 | Very high | 97.5 | Very high | 77 Ų | 77 | 69.9 Ų | 69.9 | 47% | 0.467 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 121.6 | 178.4 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | T112 A143 Y144 | T112-V114 HydrophobicContact CG2-CG2 4.34Å; V114-A143 HydrophobicContact CG1-CB 4.26Å; V114-A143 WeakPolarHBondContact CG1-O 3.47Å; V114-A143 HydrophobicContact CG2-CB 4.22Å; V114-Y144 HydrophobicContact CG1-CD1 4.24Å; V114-Y144 HydrophobicContact CG1-CE1 3.79Å |
| 115 | K | 98.1 | Very high | 97.4 | Very high | 137 Ų | 137 | 67.9 Ų | 67.9 | 60% | 0.596 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 160.7 | 168.6 | -64.9 | -173.2 | 177.5 | -173.5 | 0 | 108.1 | F117 I118 Y144 | K115-F117 PolarHBondContact O-N 3.44Å; K115-I118 WeakPolarHBondContact CA-O 3.4Å; K115-I118 HydrophobicContact CB-CG2 3.96Å; K115-I118 WeakPolarHBondContact CB-O 3.38Å; K115-I118 HydrophobicContact CD-CG2 4.25Å; K115-I118 PolarHBondContact N-O 3.45Å; K115-I118 PolarHBondContact O-N 3.13Å; K115-I118 VanDerWaalsContact O-N 3.11Å; K115-I118 VanDerWaalsContact O-O 3.09Å; K115-Y144 WeakPolarHBondContact O-CE1 2.97Å; K115-Y144 PolarHBondContact O-OH 3.48Å |
| 116 | P | 97.2 | Very high | 97.3 | Very high | 89 Ų | 89 | 73.6 Ų | 73.6 | 58% | 0.578 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -38.1 | -173.1 | -31.7 | 36.3 | 0 | 0 | 0 | 115.5 | R101 Y144 | R101-P116 PolarHBondContact NH1-O 3.09Å; P116-Y144 WeakPolarHBondContact O-CE1 3.24Å |
| 117 | F | 98.1 | Very high | 97.1 | Very high | 140 Ų | 140 | 76.7 Ų | 76.7 | 61% | 0.614 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -4.3 | -176.4 | -51.7 | -65.2 | 0 | 0 | 0 | 114.4 | V99 R102 K115 | V99-F117 HydrophobicContact CG1-CD1 4.03Å; V99-F117 HydrophobicContact CG1-CE1 4.05Å; R102-F117 PolarHBondContact N-O 3.47Å; K115-F117 PolarHBondContact O-N 3.44Å |
| 118 | I | 98.4 | Very high | 97 | Very high | 49 Ų | 49 | 78.1 Ų | 78.1 | 25% | 0.251 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 131.4 | -177.6 | -172.5 | 168.5 | 0 | 0 | 0 | 112.2 | R102 K115 T120 Y144 | R102-I118 HydrophobicContact CB-CB 4.32Å; R102-I118 HydrophobicContact CB-CG1 4.11Å; R102-I118 CarbonylContact O-C 3.59Å; R102-I118 VanDerWaalsContact O-CA 3.26Å; R102-I118 WeakPolarHBondContact O-CA 3.45Å; K115-I118 WeakPolarHBondContact CA-O 3.4Å; K115-I118 HydrophobicContact CB-CG2 3.96Å; K115-I118 WeakPolarHBondContact CB-O 3.38Å; K115-I118 HydrophobicContact CD-CG2 4.25Å; K115-I118 PolarHBondContact N-O 3.45Å; K115-I118 PolarHBondContact O-N 3.13Å; K115-I118 VanDerWaalsContact O-N 3.11Å; K115-I118 VanDerWaalsContact O-O 3.09Å; I118-T120 HydrophobicContact CD1-CG2 4.19Å; I118-T120 HydrophobicContact CG1-CG2 4.19Å; I118-Y144 PolarHBondContact N-OH 2.9Å |
| 119 | C | 98.5 | Very high | 97.1 | Very high | 3 Ų | 3 | 76.2 Ų | 76.2 | 2% | 0.02 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 118.8 | 169.6 | 175.8 | 0 | 0 | 0 | 0 | 108.5 | R102 F103 R104 R113 A143 Y144 | R102-C119 PolarHBondContact O-N 2.79Å; F103-C119 CarbonylContact C-O 3.57Å; F103-C119 WeakPolarHBondContact CA-O 3.06Å; F103-C119 HydrophobicContact CD1-CB 3.61Å; F103-C119 HydrophobicContact CE1-CB 3.62Å; R104-C119 PolarHBondContact N-O 2.9Å; R113-C119 CarbonylContact O-C 3.57Å; R113-C119 VanDerWaalsContact O-CA 3.31Å; R113-C119 WeakPolarHBondContact O-CA 3.46Å; C119-A143 HydrophobicContact CB-CB 4.41Å; C119-Y144 HydrophobicContact CB-CE2 4.41Å; C119-Y144 WeakPolarHBondContact CB-OH 3.34Å; C119-Y144 PolarHBondContact N-OH 3.48Å; C119-Y144 VanDerWaalsContact N-OH 3.09Å |
| 120 | T | 98.5 | Very high | 97.1 | Very high | 27 Ų | 27 | 74.9 Ų | 74.9 | 17% | 0.166 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 138.5 | 172.8 | 65.2 | 0 | 0 | 0 | 0 | 109.2 | R104 T112 R113 I118 | R104-T120 HydrophobicContact CB-CG2 4.29Å; R104-T120 CarbonylContact O-C 3.57Å; R104-T120 VanDerWaalsContact O-CA 3.28Å; R104-T120 WeakPolarHBondContact O-CA 3.29Å; T112-T120 CarbonylContact C-O 3.53Å; T112-T120 VanDerWaalsContact CA-O 3.24Å; T112-T120 WeakPolarHBondContact CA-O 3.22Å; R113-T120 PolarHBondContact N-O 3.06Å; R113-T120 PolarHBondContact O-N 3.08Å; I118-T120 HydrophobicContact CD1-CG2 4.19Å; I118-T120 HydrophobicContact CG1-CG2 4.19Å |
| 121 | M | 98 | Very high | 97 | Very high | 12 Ų | 12 | 73.2 Ų | 73.2 | 6% | 0.059 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 153.8 | -177 | 65.9 | -175.3 | 73.6 | 0 | 0 | 112.7 | F103 R104 A105 S106 T112 F134 F139 | F103-M121 HydrophobicContact CD1-CE 3.51Å; F103-M121 HydrophobicContact CE1-CE 4.15Å; F103-M121 HydrophobicContact CG-CE 4.44Å; R104-M121 PolarHBondContact O-N 2.86Å; A105-M121 WeakPolarHBondContact CA-O 3.41Å; A105-M121 HydrophobicContact CB-CG 3.89Å; S106-M121 PolarHBondContact N-O 3.03Å; S106-M121 VanDerWaalsContact N-O 3.11Å; T112-M121 HydrophobicContact CG2-CB 4.33Å; M121-F134 HydrophobicContact CE-CE2 3.99Å; M121-F134 HydrophobicContact CE-CZ 4.04Å; M121-F134 HydrophobicContact SD-CE2 3.6Å; M121-F134 VanDerWaalsContact SD-CE2 3.6Å; M121-F134 HydrophobicContact SD-CZ 4.25Å; M121-F139 HydrophobicContact CE-CD1 3.89Å; M121-F139 HydrophobicContact CE-CE1 4.12Å; M121-F139 HydrophobicContact CE-CG 4.27Å; M121-F139 HydrophobicContact SD-CD1 4.19Å; M121-F139 HydrophobicContact SD-CE1 3.82Å; M121-F139 HydrophobicContact SD-CE2 4.44Å; M121-F139 HydrophobicContact SD-CZ 3.97Å |
| 122 | P | 97.9 | Very high | 97 | Very high | 59 Ų | 59 | 70.8 Ų | 70.8 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 147.8 | 172.6 | 27.1 | -35.2 | 0 | 0 | 0 | 111.4 | S106 Q109 T112 | S106-P122 CarbonylContact O-C 3.59Å; Q109-P122 WeakPolarHBondContact O-CA 3.42Å; Q109-P122 VanDerWaalsContact O-CB 3.26Å; Q109-P122 WeakPolarHBondContact O-CB 3.28Å; T112-P122 WeakPolarHBondContact OG1-CD 3.49Å |
| 123 | L | 97.4 | Very high | 96.9 | Very high | 23 Ų | 23 | 71.2 Ų | 71.2 | 12% | 0.12 | 35% | 0.348 | C | S | . | . | trans | -127.8 | 110.9 | 170.6 | 178.2 | 66.4 | 0 | 0 | 0 | 108.8 | F87 F89 A105 S106 N107 L125 I132 | F87-L123 HydrophobicContact CD1-CD2 3.73Å; F87-L123 HydrophobicContact CE1-CD2 3.76Å; F89-L123 HydrophobicContact CD1-CD2 4.08Å; F89-L123 HydrophobicContact CE1-CD1 4.17Å; F89-L123 HydrophobicContact CE1-CD2 3.88Å; A105-L123 HydrophobicContact CB-CB 4.21Å; S106-L123 PolarHBondContact O-N 3.12Å; N107-L123 WeakPolarHBondContact CA-O 3.35Å; N107-L123 VanDerWaalsContact CB-O 3.3Å; N107-L123 WeakPolarHBondContact CB-O 3.37Å; L123-L125 HydrophobicContact CD1-CD2 4.44Å; L123-L125 HydrophobicContact CD2-CD1 4.49Å; L123-L125 HydrophobicContact CD2-CD2 4.07Å; L123-L125 HydrophobicContact CD2-CG 4.26Å; L123-L125 HydrophobicContact CG-CD2 4.06Å; L123-L125 HydrophobicContact CG-CG 4.19Å; L123-I132 HydrophobicContact CD1-CD1 4.22Å; L123-I132 HydrophobicContact CD1-CG1 4.45Å; L123-I132 HydrophobicContact CD1-CG2 3.9Å; L123-I132 HydrophobicContact CD2-CD1 4.13Å | ||
| 124 | R | 95.2 | Very high | 96.8 | Very high | 216 Ų | 216 | 64.5 Ų | 64.5 | 82% | 0.815 | 32% | 0.323 | S | S | * | . | trans | -79.9 | 131 | 170.4 | -173.4 | 175 | -68.2 | 177.5 | -1.1 | 108.9 | ||||
| 125 | L | 96.1 | Very high | 96.8 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 13% | 0.126 | 31% | 0.312 | C | S | . | . | trans | -123.1 | 128.2 | 171.9 | -65.2 | 179.3 | 0 | 0 | 0 | 108.5 | N82 F87 N107 L123 N130 I132 | N82-L125 HydrophobicContact CB-CB 4.1Å; N82-L125 HydrophobicContact CB-CD1 4.25Å; F87-L125 HydrophobicContact CB-CD1 4.29Å; F87-L125 HydrophobicContact CD1-CD1 3.82Å; F87-L125 HydrophobicContact CG-CD1 4.36Å; N107-L125 HydrophobicContact CB-CD1 4.48Å; L123-L125 HydrophobicContact CD1-CD2 4.44Å; L123-L125 HydrophobicContact CD2-CD1 4.49Å; L123-L125 HydrophobicContact CD2-CD2 4.07Å; L123-L125 HydrophobicContact CD2-CG 4.26Å; L123-L125 HydrophobicContact CG-CD2 4.06Å; L123-L125 HydrophobicContact CG-CG 4.19Å; L125-N130 HydrophobicContact CD2-CB 4.2Å; L125-I132 HydrophobicContact CD2-CD1 3.72Å; L125-I132 HydrophobicContact CD2-CG1 4.07Å | ||
| 126 | E | 95.9 | Very high | 96.8 | Very high | 121 Ų | 121 | 56.3 Ų | 56.3 | 57% | 0.565 | 28% | 0.283 | S | S | * | . | trans | -74.3 | 169.9 | 169.3 | -58.5 | -54.3 | 147 | 0 | 0 | 110.3 | N82 N130 | N82-E126 WeakPolarHBondContact CB-O 3.33Å; N82-E126 PolarHBondContact ND2-O 2.95Å; E126-N130 PolarHBondContact N-OD1 2.81Å; E126-N130 PolarHBondContact O-ND2 2.79Å | ||
| 127 | A | 94.4 | Very high | 96.8 | Very high | 68 Ų | 68 | 53.6 Ų | 53.6 | 56% | 0.562 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -61.2 | 149.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 128 | N | 94.8 | Very high | 96.8 | Very high | 78 Ų | 78 | 49.6 Ų | 49.6 | 42% | 0.417 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.6 | -134.7 | 178.5 | -57.4 | -37.2 | 0 | 0 | 0 | 113.6 | E41 K81 N82 N130 | E41-N128 WeakPolarHBondContact OE1-CB 3.45Å; E41-N128 PolarHBondContact OE1-ND2 2.85Å; K81-N128 CarbonylContact C-O 3.56Å; K81-N128 WeakPolarHBondContact CA-O 3.44Å; N82-N128 PolarHBondContact N-O 2.95Å; N128-N130 PolarHBondContact O-ND2 2.84Å |
| 129 | W | 96.7 | Very high | 96.8 | Very high | 33 Ų | 33 | 49.8 Ų | 49.8 | 13% | 0.125 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 133.7 | -171.3 | -74 | 96.9 | 0 | 0 | 0 | 112.3 | D39 E41 I42 V46 I79 V80 K81 R161 R163 L183 | D39-W129 HydrophobicContact CB-CZ2 4.29Å; E41-W129 VanDerWaalsContact OE2-CD1 3.31Å; I42-W129 HydrophobicContact CD1-CH2 3.97Å; I42-W129 HydrophobicContact CD1-CZ2 3.43Å; I42-W129 VanDerWaalsContact CD1-CZ2 3.43Å; I42-W129 HydrophobicContact CG1-CZ2 3.89Å; I42-W129 HydrophobicContact CG2-CG 4.46Å; V46-W129 HydrophobicContact CB-CH2 4.28Å; V46-W129 HydrophobicContact CG1-CH2 3.52Å; V46-W129 HydrophobicContact CG1-CZ2 3.73Å; I79-W129 HydrophobicContact CG2-CE3 4Å; I79-W129 HydrophobicContact CG2-CZ3 4.27Å; V80-W129 VanDerWaalsContact C-CE3 3.47Å; K81-W129 HydrophobicContact CB-CD2 3.92Å; K81-W129 HydrophobicContact CB-CE3 4.05Å; K81-W129 HydrophobicContact CB-CG 4.49Å; K81-W129 HydrophobicContact CB-CH2 4.1Å; K81-W129 HydrophobicContact CB-CZ2 3.98Å; K81-W129 HydrophobicContact CB-CZ3 4.13Å; K81-W129 HydrophobicContact CD-CZ2 4.22Å; K81-W129 HydrophobicContact CG-CD2 4.31Å; K81-W129 HydrophobicContact CG-CG 4.44Å; W129-R161 HydrophobicContact CH2-CB 4.37Å; W129-R163 HydrophobicContact CE3-CB 4.38Å; W129-R163 HydrophobicContact CH2-CB 3.75Å; W129-R163 HydrophobicContact CZ3-CB 3.46Å; W129-R163 VanDerWaalsContact CZ3-CB 3.46Å; W129-L183 HydrophobicContact CB-CD2 3.53Å; W129-L183 HydrophobicContact CD2-CD2 4.04Å; W129-L183 HydrophobicContact CE3-CD2 4.43Å; W129-L183 HydrophobicContact CG-CD2 3.65Å |
| 130 | N | 96.3 | Very high | 96.8 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 10% | 0.096 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 137.1 | -178.1 | -72.9 | -104.9 | 0 | 0 | 0 | 109.8 | I79 V80 L125 E126 N128 I132 | I79-N130 WeakPolarHBondContact CA-O 3.43Å; V80-N130 PolarHBondContact N-O 2.88Å; V80-N130 PolarHBondContact O-N 3.11Å; L125-N130 HydrophobicContact CD2-CB 4.2Å; E126-N130 PolarHBondContact N-OD1 2.81Å; E126-N130 PolarHBondContact O-ND2 2.79Å; N128-N130 PolarHBondContact O-ND2 2.84Å; N130-I132 HydrophobicContact CB-CG1 4.42Å |
| 131 | N | 94.4 | Very high | 96.8 | Very high | 66 Ų | 66 | 53.2 Ų | 53.2 | 35% | 0.353 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 99.6 | 165.5 | -70.2 | -40 | 0 | 0 | 0 | 108.5 | I79 Y133 | I79-N131 WeakPolarHBondContact CG1-OD1 3.33Å; N131-Y133 HydrophobicContact CB-CD2 4.43Å; N131-Y133 HydrophobicContact CB-CE2 3.64Å; N131-Y133 WeakPolarHBondContact O-CD2 3.26Å |
| 132 | I | 96.2 | Very high | 96.8 | Very high | 15 Ų | 15 | 59.7 Ų | 59.7 | 8% | 0.077 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 113.5 | 178.7 | -53.5 | 168.8 | 0 | 0 | 0 | 108.1 | V77 L78 V80 F87 F89 L123 L125 N130 | V77-I132 VanDerWaalsContact CA-O 3.29Å; V77-I132 WeakPolarHBondContact CA-O 3.35Å; L78-I132 HydrophobicContact CB-CB 4.21Å; L78-I132 HydrophobicContact CB-CD1 4.34Å; L78-I132 PolarHBondContact N-O 2.92Å; L78-I132 PolarHBondContact O-N 2.83Å; V80-I132 HydrophobicContact CG2-CD1 3.46Å; V80-I132 VanDerWaalsContact CG2-CD1 3.46Å; V80-I132 HydrophobicContact CG2-CG1 4.16Å; F87-I132 HydrophobicContact CE1-CD1 4.27Å; F89-I132 HydrophobicContact CE1-CD1 4.47Å; F89-I132 HydrophobicContact CE1-CG2 4.08Å; F89-I132 HydrophobicContact CZ-CG2 4.33Å; L123-I132 HydrophobicContact CD1-CD1 4.22Å; L123-I132 HydrophobicContact CD1-CG1 4.45Å; L123-I132 HydrophobicContact CD1-CG2 3.9Å; L123-I132 HydrophobicContact CD2-CD1 4.13Å; L125-I132 HydrophobicContact CD2-CD1 3.72Å; L125-I132 HydrophobicContact CD2-CG1 4.07Å; N130-I132 HydrophobicContact CB-CG1 4.42Å |
| 133 | Y | 95.9 | Very high | 96.8 | Very high | 92 Ų | 92 | 58 Ų | 58 | 36% | 0.361 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.2 | 171.9 | -60.7 | -90.9 | 0 | 0 | 0 | 109.8 | V77 N131 L171 | V77-Y133 HydrophobicContact CG1-CD1 4.14Å; V77-Y133 HydrophobicContact CG1-CE1 4Å; V77-Y133 HydrophobicContact CG2-CD1 3.62Å; V77-Y133 HydrophobicContact CG2-CE1 3.91Å; N131-Y133 HydrophobicContact CB-CD2 4.43Å; N131-Y133 HydrophobicContact CB-CE2 3.64Å; N131-Y133 WeakPolarHBondContact O-CD2 3.26Å; Y133-L171 HydrophobicContact CD1-CD2 3.61Å; Y133-L171 HydrophobicContact CE1-CD2 4.34Å; Y133-L171 HydrophobicContact CG-CD2 4.21Å |
| 134 | F | 97.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 58.6 Ų | 58.6 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 109.1 | 179.6 | -170 | -83.7 | 0 | 0 | 0 | 109.9 | L76 F89 I91 F103 M121 V136 F139 | L76-F134 HydrophobicContact CB-CB 4.26Å; L76-F134 PolarHBondContact N-O 3.05Å; L76-F134 PolarHBondContact O-N 2.79Å; F89-F134 AromaticContact CE2-CD2 4Å; F89-F134 HydrophobicContact CE2-CD2 4Å; F89-F134 HydrophobicContact CE2-CE2 4.36Å; F89-F134 HydrophobicContact CE2-CG 4.34Å; F89-F134 AromaticContact CZ-CD2 3.78Å; F89-F134 HydrophobicContact CZ-CD2 3.78Å; F89-F134 HydrophobicContact CZ-CE2 4.36Å; F89-F134 HydrophobicContact CZ-CG 4.35Å; I91-F134 HydrophobicContact CD1-CD1 3.42Å; I91-F134 VanDerWaalsContact CD1-CD1 3.42Å; I91-F134 HydrophobicContact CD1-CE1 3.52Å; I91-F134 HydrophobicContact CD1-CG 4Å; I91-F134 HydrophobicContact CD1-CZ 4.18Å; F103-F134 HydrophobicContact CB-CE1 4.37Å; F103-F134 HydrophobicContact CB-CZ 3.75Å; F103-F134 HydrophobicContact CD1-CZ 4.15Å; F103-F134 HydrophobicContact CD2-CZ 4.46Å; F103-F134 HydrophobicContact CG-CE1 4.36Å; F103-F134 AromaticContact CG-CZ 3.87Å; F103-F134 HydrophobicContact CG-CZ 3.87Å; M121-F134 HydrophobicContact CE-CE2 3.99Å; M121-F134 HydrophobicContact CE-CZ 4.04Å; M121-F134 HydrophobicContact SD-CE2 3.6Å; M121-F134 VanDerWaalsContact SD-CE2 3.6Å; M121-F134 HydrophobicContact SD-CZ 4.25Å; F134-V136 HydrophobicContact CD1-CB 4.38Å; F134-V136 HydrophobicContact CD1-CG2 3.66Å; F134-V136 HydrophobicContact CE1-CB 4.41Å; F134-V136 HydrophobicContact CE1-CG2 4.04Å; F134-V136 PolarHBondContact O-N 2.69Å; F134-V136 VanDerWaalsContact O-N 3.17Å; F134-F139 AromaticContact CD1-CD2 3.95Å; F134-F139 HydrophobicContact CD1-CD2 3.95Å; F134-F139 HydrophobicContact CD1-CE2 4.41Å; F134-F139 AromaticContact CD2-CD2 3.93Å; F134-F139 HydrophobicContact CD2-CD2 3.93Å; F134-F139 AromaticContact CD2-CE2 3.7Å; F134-F139 HydrophobicContact CD2-CE2 3.7Å; F134-F139 HydrophobicContact CE1-CB 4.28Å; F134-F139 AromaticContact CE1-CD2 3.57Å; F134-F139 HydrophobicContact CE1-CD2 3.57Å; F134-F139 HydrophobicContact CE1-CE2 4.33Å; F134-F139 HydrophobicContact CE1-CG 4.25Å; F134-F139 AromaticContact CE2-CD2 3.57Å; F134-F139 HydrophobicContact CE2-CD2 3.57Å; F134-F139 AromaticContact CE2-CE2 3.62Å; F134-F139 HydrophobicContact CE2-CE2 3.62Å; F134-F139 HydrophobicContact CE2-CG 4.29Å; F134-F139 HydrophobicContact CE2-CZ 4.35Å; F134-F139 HydrophobicContact CG-CD2 4.12Å; F134-F139 HydrophobicContact CG-CE2 4.12Å; F134-F139 HydrophobicContact CZ-CB 4.13Å; F134-F139 AromaticContact CZ-CD2 3.37Å; F134-F139 HydrophobicContact CZ-CD2 3.37Å; F134-F139 AromaticContact CZ-CE2 3.94Å; F134-F139 HydrophobicContact CZ-CE2 3.94Å; F134-F139 AromaticContact CZ-CG 3.86Å; F134-F139 HydrophobicContact CZ-CG 3.86Å |
| 135 | N | 97.7 | Very high | 97 | Very high | 43 Ų | 43 | 50.5 Ų | 50.5 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 90.6 | 177.5 | -171.7 | -17.7 | 0 | 0 | 0 | 110.4 | F75 A137 D138 F139 | F75-N135 HydrophobicContact CD1-CB 3.92Å; F75-N135 HydrophobicContact CE1-CB 3.71Å; F75-N135 VanDerWaalsContact CE1-CG 3.4Å; F75-N135 VanDerWaalsContact CE1-ND2 3.34Å; F75-N135 WeakPolarHBondContact CE1-ND2 3.42Å; N135-A137 VanDerWaalsContact C-N 3.31Å; N135-A137 PolarHBondContact O-N 3.27Å; N135-A137 PolarHBondContact OD1-N 3.06Å; N135-D138 HydrophobicContact CB-CB 3.95Å; N135-D138 WeakPolarHBondContact ND2-CB 3.32Å; N135-D138 PolarHBondContact O-N 2.91Å; N135-D138 WeakPolarHBondContact OD1-CB 3.42Å; N135-D138 PolarHBondContact OD1-N 3.2Å; N135-D138 VanDerWaalsContact OD1-N 3.15Å; N135-F139 WeakPolarHBondContact O-CB 3.24Å; N135-F139 WeakPolarHBondContact O-CD2 3.47Å; N135-F139 PolarHBondContact O-N 3.35Å |
| 136 | V | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.8 | -41.6 | -174.6 | -173.7 | 0 | 0 | 0 | 0 | 111.3 | P74 L76 I91 I93 F134 T140 F148 V151 | P74-V136 VanDerWaalsContact O-CB 3.27Å; P74-V136 WeakPolarHBondContact O-CB 3.19Å; P74-V136 WeakPolarHBondContact O-CG2 3.48Å; P74-V136 PolarHBondContact O-N 3.03Å; L76-V136 HydrophobicContact CB-CG2 4.23Å; I91-V136 HydrophobicContact CD1-CG2 4.24Å; I93-V136 HydrophobicContact CG2-CG1 3.58Å; F134-V136 HydrophobicContact CD1-CB 4.38Å; F134-V136 HydrophobicContact CD1-CG2 3.66Å; F134-V136 HydrophobicContact CE1-CB 4.41Å; F134-V136 HydrophobicContact CE1-CG2 4.04Å; F134-V136 PolarHBondContact O-N 2.69Å; F134-V136 VanDerWaalsContact O-N 3.17Å; V136-T140 WeakPolarHBondContact O-CB 3.48Å; V136-T140 PolarHBondContact O-N 2.94Å; V136-T140 PolarHBondContact O-OG1 3.38Å; V136-F148 HydrophobicContact CB-CD2 4.43Å; V136-F148 HydrophobicContact CB-CE2 4.36Å; V136-F148 HydrophobicContact CG1-CD2 3.52Å; V136-F148 HydrophobicContact CG1-CE2 3.53Å; V136-F148 HydrophobicContact CG1-CG 4.21Å; V136-F148 HydrophobicContact CG1-CZ 4.25Å; V136-V151 HydrophobicContact CG1-CG2 4.42Å |
| 137 | A | 97.7 | Very high | 97.2 | Very high | 32 Ų | 32 | 47.4 Ų | 47.4 | 26% | 0.264 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.8 | -48.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | P74 N135 T140 K141 F148 | P74-A137 HydrophobicContact CB-CB 3.83Å; N135-A137 VanDerWaalsContact C-N 3.31Å; N135-A137 PolarHBondContact O-N 3.27Å; N135-A137 PolarHBondContact OD1-N 3.06Å; A137-T140 WeakPolarHBondContact O-CB 3.44Å; A137-T140 PolarHBondContact O-N 3.22Å; A137-K141 PolarHBondContact O-N 3.2Å; A137-F148 HydrophobicContact CB-CB 4.05Å; A137-F148 HydrophobicContact CB-CD1 4.23Å; A137-F148 HydrophobicContact CB-CG 4.44Å |
| 138 | D | 98.1 | Very high | 97.4 | Very high | 55 Ų | 55 | 45.7 Ų | 45.7 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 179 | 172 | 51.4 | 0 | 0 | 0 | 112.6 | N135 T140 K141 R142 | N135-D138 HydrophobicContact CB-CB 3.95Å; N135-D138 WeakPolarHBondContact ND2-CB 3.32Å; N135-D138 PolarHBondContact O-N 2.91Å; N135-D138 WeakPolarHBondContact OD1-CB 3.42Å; N135-D138 PolarHBondContact OD1-N 3.2Å; N135-D138 VanDerWaalsContact OD1-N 3.15Å; D138-T140 VanDerWaalsContact C-N 3.32Å; D138-T140 PolarHBondContact O-N 3.19Å; D138-K141 PolarHBondContact O-N 3.28Å; D138-R142 VanDerWaalsContact CG-CZ 3.45Å; D138-R142 WeakPolarHBondContact O-CB 2.78Å; D138-R142 PolarHBondContact O-N 3.17Å; D138-R142 IonicContact OD1-CZ 3.96Å; D138-R142 IonicContact OD1-NH1 3.9Å; D138-R142 PolarHBondContact OD1-NH1 2.6Å; D138-R142 IonicContact OD1-NH2 2.67Å; D138-R142 IonicContact OD2-CZ 3.57Å; D138-R142 IonicContact OD2-NH1 3.45Å; D138-R142 PolarHBondContact OD2-NH1 2.73Å; D138-R142 IonicContact OD2-NH2 3.97Å; D138-R142 PolarHBondContact OD2-NH2 3.26Å |
| 139 | F | 98.2 | Very high | 97.6 | Very high | 53 Ų | 53 | 44.7 Ų | 44.7 | 23% | 0.232 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.5 | -37 | 172.7 | -79.3 | -61.1 | 0 | 0 | 0 | 112.6 | F103 M121 F134 N135 R142 A143 | F103-F139 HydrophobicContact CD1-CB 4.4Å; F103-F139 HydrophobicContact CE1-CB 3.88Å; F103-F139 HydrophobicContact CZ-CB 3.99Å; M121-F139 HydrophobicContact CE-CD1 3.89Å; M121-F139 HydrophobicContact CE-CE1 4.12Å; M121-F139 HydrophobicContact CE-CG 4.27Å; M121-F139 HydrophobicContact SD-CD1 4.19Å; M121-F139 HydrophobicContact SD-CE1 3.82Å; M121-F139 HydrophobicContact SD-CE2 4.44Å; M121-F139 HydrophobicContact SD-CZ 3.97Å; F134-F139 AromaticContact CD1-CD2 3.95Å; F134-F139 HydrophobicContact CD1-CD2 3.95Å; F134-F139 HydrophobicContact CD1-CE2 4.41Å; F134-F139 AromaticContact CD2-CD2 3.93Å; F134-F139 HydrophobicContact CD2-CD2 3.93Å; F134-F139 AromaticContact CD2-CE2 3.7Å; F134-F139 HydrophobicContact CD2-CE2 3.7Å; F134-F139 HydrophobicContact CE1-CB 4.28Å; F134-F139 AromaticContact CE1-CD2 3.57Å; F134-F139 HydrophobicContact CE1-CD2 3.57Å; F134-F139 HydrophobicContact CE1-CE2 4.33Å; F134-F139 HydrophobicContact CE1-CG 4.25Å; F134-F139 AromaticContact CE2-CD2 3.57Å; F134-F139 HydrophobicContact CE2-CD2 3.57Å; F134-F139 AromaticContact CE2-CE2 3.62Å; F134-F139 HydrophobicContact CE2-CE2 3.62Å; F134-F139 HydrophobicContact CE2-CG 4.29Å; F134-F139 HydrophobicContact CE2-CZ 4.35Å; F134-F139 HydrophobicContact CG-CD2 4.12Å; F134-F139 HydrophobicContact CG-CE2 4.12Å; F134-F139 HydrophobicContact CZ-CB 4.13Å; F134-F139 AromaticContact CZ-CD2 3.37Å; F134-F139 HydrophobicContact CZ-CD2 3.37Å; F134-F139 AromaticContact CZ-CE2 3.94Å; F134-F139 HydrophobicContact CZ-CE2 3.94Å; F134-F139 AromaticContact CZ-CG 3.86Å; F134-F139 HydrophobicContact CZ-CG 3.86Å; N135-F139 WeakPolarHBondContact O-CB 3.24Å; N135-F139 WeakPolarHBondContact O-CD2 3.47Å; N135-F139 PolarHBondContact O-N 3.35Å; F139-R142 VanDerWaalsContact CD1-NH2 3.28Å; F139-A143 WeakPolarHBondContact O-CB 3.29Å; F139-A143 PolarHBondContact O-N 2.84Å |
| 140 | T | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -49 | 174 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | I93 D95 V136 A137 D138 R142 A143 Y144 F148 | I93-T140 HydrophobicContact CD1-CG2 3.94Å; D95-T140 HydrophobicContact CB-CG2 4.22Å; V136-T140 WeakPolarHBondContact O-CB 3.48Å; V136-T140 PolarHBondContact O-N 2.94Å; V136-T140 PolarHBondContact O-OG1 3.38Å; A137-T140 WeakPolarHBondContact O-CB 3.44Å; A137-T140 PolarHBondContact O-N 3.22Å; D138-T140 VanDerWaalsContact C-N 3.32Å; D138-T140 PolarHBondContact O-N 3.19Å; T140-R142 PolarHBondContact O-N 2.85Å; T140-A143 PolarHBondContact O-N 3.07Å; T140-Y144 PolarHBondContact O-N 2.86Å; T140-F148 HydrophobicContact CG2-CB 4.33Å |
| 141 | K | 98.4 | Very high | 97.7 | Very high | 103 Ų | 103 | 42.7 Ų | 42.7 | 45% | 0.448 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.3 | -47.6 | 179.5 | -168.3 | 62.8 | 172.7 | -177.3 | 0 | 112.8 | A137 D138 G145 T146 N147 | A137-K141 PolarHBondContact O-N 3.2Å; D138-K141 PolarHBondContact O-N 3.28Å; K141-G145 PolarHBondContact NZ-O 2.95Å; K141-G145 VanDerWaalsContact O-CA 3.25Å; K141-G145 WeakPolarHBondContact O-CA 3.47Å; K141-G145 PolarHBondContact O-N 3.2Å; K141-T146 VanDerWaalsContact CA-O 3.31Å; K141-T146 WeakPolarHBondContact CA-O 3.39Å; K141-T146 PolarHBondContact N-O 3.15Å; K141-N147 PolarHBondContact NZ-OD1 2.7Å |
| 142 | R | 97.9 | Very high | 97.9 | Very high | 148 Ų | 148 | 40.2 Ų | 40.2 | 56% | 0.558 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -68.9 | -39 | -179.1 | -75.2 | -161.9 | -62.5 | -99 | -12.2 | 113.8 | D138 F139 T140 | D138-R142 VanDerWaalsContact CG-CZ 3.45Å; D138-R142 WeakPolarHBondContact O-CB 2.78Å; D138-R142 PolarHBondContact O-N 3.17Å; D138-R142 IonicContact OD1-CZ 3.96Å; D138-R142 IonicContact OD1-NH1 3.9Å; D138-R142 PolarHBondContact OD1-NH1 2.6Å; D138-R142 IonicContact OD1-NH2 2.67Å; D138-R142 IonicContact OD2-CZ 3.57Å; D138-R142 IonicContact OD2-NH1 3.45Å; D138-R142 PolarHBondContact OD2-NH1 2.73Å; D138-R142 IonicContact OD2-NH2 3.97Å; D138-R142 PolarHBondContact OD2-NH2 3.26Å; F139-R142 VanDerWaalsContact CD1-NH2 3.28Å; T140-R142 PolarHBondContact O-N 2.85Å |
| 143 | A | 97.8 | Very high | 98 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 19% | 0.19 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -78.2 | -32.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F103 V114 C119 F139 T140 | F103-A143 HydrophobicContact CE1-CB 4.04Å; F103-A143 HydrophobicContact CZ-CB 4.31Å; V114-A143 HydrophobicContact CG1-CB 4.26Å; V114-A143 WeakPolarHBondContact CG1-O 3.47Å; V114-A143 HydrophobicContact CG2-CB 4.22Å; C119-A143 HydrophobicContact CB-CB 4.41Å; F139-A143 WeakPolarHBondContact O-CB 3.29Å; F139-A143 PolarHBondContact O-N 2.84Å; T140-A143 PolarHBondContact O-N 3.07Å |
| 144 | Y | 98.2 | Very high | 98.2 | Very high | 35 Ų | 35 | 37 Ų | 37 | 14% | 0.137 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -130.3 | -9.1 | -167.3 | -56.8 | -70 | 0 | 0 | 0 | 115.1 | R101 F103 V114 K115 P116 I118 C119 T140 T146 | R101-Y144 HydrophobicContact CB-CE2 3.94Å; R101-Y144 HydrophobicContact CG-CD2 4.43Å; R101-Y144 HydrophobicContact CG-CE2 4.22Å; F103-Y144 HydrophobicContact CE1-CE2 4.01Å; F103-Y144 HydrophobicContact CE2-CE2 4.3Å; F103-Y144 HydrophobicContact CZ-CD2 4.1Å; F103-Y144 AromaticContact CZ-CE2 3.61Å; F103-Y144 HydrophobicContact CZ-CE2 3.61Å; V114-Y144 HydrophobicContact CG1-CD1 4.24Å; V114-Y144 HydrophobicContact CG1-CE1 3.79Å; K115-Y144 WeakPolarHBondContact O-CE1 2.97Å; K115-Y144 PolarHBondContact O-OH 3.48Å; P116-Y144 WeakPolarHBondContact O-CE1 3.24Å; I118-Y144 PolarHBondContact N-OH 2.9Å; C119-Y144 HydrophobicContact CB-CE2 4.41Å; C119-Y144 WeakPolarHBondContact CB-OH 3.34Å; C119-Y144 PolarHBondContact N-OH 3.48Å; C119-Y144 VanDerWaalsContact N-OH 3.09Å; T140-Y144 PolarHBondContact O-N 2.86Å; Y144-T146 PolarHBondContact O-N 2.99Å |
| 145 | G | 98.1 | Very high | 98.2 | Very high | 46 Ų | 46 | 38 Ų | 38 | 47% | 0.474 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 75.2 | -7.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K141 | K141-G145 PolarHBondContact NZ-O 2.95Å; K141-G145 VanDerWaalsContact O-CA 3.25Å; K141-G145 WeakPolarHBondContact O-CA 3.47Å; K141-G145 PolarHBondContact O-N 3.2Å |
| 146 | T | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -92.3 | 166.5 | -178 | 60.8 | 0 | 0 | 0 | 0 | 112.4 | D95 D96 E97 K141 Y144 | D95-T146 WeakPolarHBondContact CB-OG1 3.5Å; D95-T146 WeakPolarHBondContact OD2-CB 3.34Å; D95-T146 WeakPolarHBondContact OD2-CG2 3.23Å; D95-T146 PolarHBondContact OD2-OG1 3.3Å; D96-T146 VanDerWaalsContact OD1-CB 3.28Å; D96-T146 WeakPolarHBondContact OD1-CB 3.49Å; E97-T146 HydrophobicContact CB-CG2 4.41Å; E97-T146 HydrophobicContact CG-CG2 3.64Å; E97-T146 WeakPolarHBondContact OE2-CG2 3.25Å; K141-T146 VanDerWaalsContact CA-O 3.31Å; K141-T146 WeakPolarHBondContact CA-O 3.39Å; K141-T146 PolarHBondContact N-O 3.15Å; Y144-T146 PolarHBondContact O-N 2.99Å |
| 147 | N | 98.5 | Very high | 98.2 | Very high | 77 Ų | 77 | 36.2 Ų | 36.2 | 41% | 0.412 | 19% | 0.188 | S | C | . | . | P | Polyproline II helix | trans | -100.8 | 137.6 | 179.2 | -54.9 | -58.3 | 0 | 0 | 0 | 110.8 | D95 D96 K141 | D95-N147 CarbonylContact C-O 3.53Å; D95-N147 WeakPolarHBondContact CA-O 3.46Å; D95-N147 WeakPolarHBondContact CB-O 3.37Å; D96-N147 HydrophobicContact CB-CB 4.35Å; D96-N147 PolarHBondContact N-O 2.96Å; D96-N147 PolarHBondContact OD1-N 3.46Å; D96-N147 WeakPolarHBondContact OD2-CB 3.17Å; D96-N147 PolarHBondContact OD2-ND2 3.44Å; K141-N147 PolarHBondContact NZ-OD1 2.7Å |
| 148 | F | 98.4 | Very high | 98.2 | Very high | 31 Ų | 31 | 34.7 Ų | 34.7 | 14% | 0.136 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 132.2 | 174.9 | 164.8 | -103.7 | 0 | 0 | 0 | 111.4 | I71 K72 I93 V136 A137 T140 V151 | I71-F148 WeakPolarHBondContact O-CZ 3.27Å; K72-F148 WeakPolarHBondContact O-CE1 3.44Å; I93-F148 HydrophobicContact CB-CD2 4.13Å; I93-F148 HydrophobicContact CB-CE2 4.22Å; I93-F148 HydrophobicContact CG2-CD2 4.21Å; I93-F148 HydrophobicContact CG2-CE2 4.02Å; V136-F148 HydrophobicContact CB-CD2 4.43Å; V136-F148 HydrophobicContact CB-CE2 4.36Å; V136-F148 HydrophobicContact CG1-CD2 3.52Å; V136-F148 HydrophobicContact CG1-CE2 3.53Å; V136-F148 HydrophobicContact CG1-CG 4.21Å; V136-F148 HydrophobicContact CG1-CZ 4.25Å; A137-F148 HydrophobicContact CB-CB 4.05Å; A137-F148 HydrophobicContact CB-CD1 4.23Å; A137-F148 HydrophobicContact CB-CG 4.44Å; T140-F148 HydrophobicContact CG2-CB 4.33Å; F148-V151 HydrophobicContact CE2-CG2 3.72Å; F148-V151 HydrophobicContact CZ-CG2 3.8Å |
| 149 | V | 98.1 | Very high | 98.1 | Very high | 58 Ų | 58 | 32.6 Ų | 32.6 | 35% | 0.352 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -56.8 | 175.5 | 175.8 | 0 | 0 | 0 | 0 | 111 | L94 D95 D96 | L94-V149 WeakPolarHBondContact O-CB 3.42Å; L94-V149 PolarHBondContact O-N 3.27Å; D95-V149 VanDerWaalsContact C-CG2 3.4Å; D96-V149 HydrophobicContact CB-CG2 4.11Å |
| 150 | E | 97.9 | Very high | 98.1 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 153.5 | 179.7 | 59.5 | 174.8 | -152.8 | 0 | 0 | 113.3 | R3 G70 I71 K72 I93 L94 L152 | R3-E150 IonicContact CZ-OE1 3.48Å; R3-E150 IonicContact CZ-OE2 3.66Å; R3-E150 IonicContact NE-OE1 3.5Å; R3-E150 PolarHBondContact NE-OE1 2.96Å; R3-E150 IonicContact NE-OE2 2.9Å; R3-E150 PolarHBondContact NE-OE2 3.15Å; R3-E150 IonicContact NH2-OE1 2.67Å; R3-E150 PolarHBondContact NH2-OE1 2.96Å; R3-E150 IonicContact NH2-OE2 3.55Å; G70-E150 VanDerWaalsContact CA-OE2 3.3Å; G70-E150 WeakPolarHBondContact CA-OE2 3.48Å; I71-E150 CarbonylContact O-C 3.58Å; I71-E150 WeakPolarHBondContact O-CA 3.12Å; I71-E150 WeakPolarHBondContact O-CB 3.35Å; K72-E150 HydrophobicContact CG-CB 4.47Å; I93-E150 CarbonylContact C-O 3.45Å; I93-E150 WeakPolarHBondContact CA-O 3.47Å; L94-E150 HydrophobicContact CB-CG 4.07Å; L94-E150 HydrophobicContact CD2-CG 4.36Å; L94-E150 PolarHBondContact N-O 3Å; L94-E150 PolarHBondContact O-N 2.83Å; E150-L152 HydrophobicContact CG-CD2 4.08Å; E150-L152 WeakPolarHBondContact OE1-CD2 3.33Å |
| 151 | V | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 128.7 | 166.6 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | L69 G70 I71 I91 I93 V136 F148 V154 F167 | L69-V151 WeakPolarHBondContact CB-O 3.43Å; L69-V151 HydrophobicContact CD1-CG1 4.02Å; G70-V151 PolarHBondContact N-O 3.43Å; I71-V151 HydrophobicContact CB-CB 4.32Å; I71-V151 PolarHBondContact N-O 3.39Å; I71-V151 PolarHBondContact O-N 3.46Å; I91-V151 HydrophobicContact CG2-CG1 3.73Å; I91-V151 HydrophobicContact CG2-CG2 4.16Å; I93-V151 HydrophobicContact CG2-CG2 4.22Å; V136-V151 HydrophobicContact CG1-CG2 4.42Å; F148-V151 HydrophobicContact CE2-CG2 3.72Å; F148-V151 HydrophobicContact CZ-CG2 3.8Å; V151-V154 HydrophobicContact CG1-CG2 3.97Å; V151-F167 HydrophobicContact CB-CE1 4.34Å; V151-F167 HydrophobicContact CB-CZ 4.17Å; V151-F167 HydrophobicContact CG1-CZ 4.01Å; V151-F167 HydrophobicContact CG2-CE1 3.57Å; V151-F167 HydrophobicContact CG2-CZ 3.86Å |
| 152 | L | 98.3 | Very high | 98.1 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 7% | 0.068 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -43.1 | 177.4 | -58.3 | -179.7 | 0 | 0 | 0 | 111.6 | P62 A68 L69 Q92 L94 K100 E150 | P62-L152 WeakPolarHBondContact CD-O 3.24Å; A68-L152 WeakPolarHBondContact CA-O 3.33Å; A68-L152 HydrophobicContact CB-CB 4.42Å; A68-L152 HydrophobicContact CB-CD2 3.83Å; L69-L152 PolarHBondContact N-O 3.17Å; Q92-L152 HydrophobicContact CB-CB 4.38Å; Q92-L152 HydrophobicContact CG-CB 4.33Å; Q92-L152 HydrophobicContact CG-CD1 4.26Å; Q92-L152 PolarHBondContact O-N 2.7Å; L94-L152 HydrophobicContact CB-CD1 4.17Å; L94-L152 HydrophobicContact CB-CD2 4.2Å; L94-L152 HydrophobicContact CB-CG 4.24Å; K100-L152 HydrophobicContact CD-CD1 3.96Å; K100-L152 HydrophobicContact CG-CD1 3.8Å; E150-L152 HydrophobicContact CG-CD2 4.08Å; E150-L152 WeakPolarHBondContact OE1-CD2 3.33Å |
| 153 | R | 98.5 | Very high | 98 | Very high | 39 Ų | 39 | 22.1 Ų | 22.1 | 15% | 0.147 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 144.1 | -172.9 | -179 | 168.5 | -65.8 | -73.9 | -11.3 | 111.8 | S60 C61 P62 D64 P65 K67 I91 Q92 | S60-R153 PolarHBondContact OG-NH1 2.79Å; C61-R153 CarbonylContact O-C 3.59Å; C61-R153 VanDerWaalsContact O-CA 3.24Å; C61-R153 WeakPolarHBondContact O-CA 3.38Å; C61-R153 WeakPolarHBondContact O-CG 3.49Å; P62-R153 PolarHBondContact O-NH1 2.9Å; D64-R153 PolarHBondContact O-NH2 2.83Å; P65-R153 VanDerWaalsContact CA-NH2 3.28Å; P65-R153 PolarHBondContact O-NH2 2.86Å; K67-R153 PolarHBondContact O-NH2 2.95Å; I91-R153 CarbonylContact C-O 3.5Å; I91-R153 WeakPolarHBondContact CA-O 3.4Å; Q92-R153 HydrophobicContact CB-CB 3.99Å; Q92-R153 PolarHBondContact N-O 2.82Å; Q92-R153 PolarHBondContact O-N 2.86Å |
| 154 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.8 | 170.3 | 177.4 | 0 | 0 | 0 | 0 | 108.4 | I13 W25 S60 C61 L69 E90 V151 I156 F167 | I13-V154 HydrophobicContact CD1-CB 4.24Å; I13-V154 HydrophobicContact CD1-CG1 4.46Å; I13-V154 HydrophobicContact CD1-CG2 4.14Å; W25-V154 HydrophobicContact CH2-CB 4.36Å; W25-V154 HydrophobicContact CH2-CG1 4.05Å; W25-V154 HydrophobicContact CZ3-CG1 4.47Å; S60-V154 CarbonylContact C-O 3.5Å; S60-V154 WeakPolarHBondContact CA-O 3.46Å; C61-V154 PolarHBondContact N-O 2.73Å; C61-V154 PolarHBondContact O-N 3.09Å; L69-V154 HydrophobicContact CD1-CB 4.42Å; L69-V154 HydrophobicContact CD1-CG2 3.88Å; E90-V154 WeakPolarHBondContact O-CA 3.39Å; V151-V154 HydrophobicContact CG1-CG2 3.97Å; V154-I156 HydrophobicContact CG1-CD1 3.8Å; V154-I156 HydrophobicContact CG1-CG1 4.38Å; V154-F167 HydrophobicContact CG2-CE2 4.27Å; V154-F167 HydrophobicContact CG2-CZ 3.95Å |
| 155 | Q | 98.3 | Very high | 98 | Very high | 30 Ų | 30 | 20 Ų | 20 | 14% | 0.14 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 127.5 | 175.5 | -174.7 | 173.6 | -76 | 0 | 0 | 109.8 | Y58 I59 F89 E90 H157 | Y58-Q155 HydrophobicContact CD2-CG 3.67Å; Y58-Q155 HydrophobicContact CE2-CG 4.32Å; Y58-Q155 HydrophobicContact CG-CG 3.96Å; I59-Q155 CarbonylContact O-C 3.53Å; I59-Q155 VanDerWaalsContact O-CA 3.29Å; I59-Q155 WeakPolarHBondContact O-CA 3.43Å; I59-Q155 WeakPolarHBondContact O-CG 3.32Å; F89-Q155 CarbonylContact C-O 3.57Å; F89-Q155 VanDerWaalsContact CA-O 3.29Å; F89-Q155 WeakPolarHBondContact CA-O 3.14Å; E90-Q155 HydrophobicContact CB-CB 4.26Å; E90-Q155 PolarHBondContact N-O 2.91Å; E90-Q155 PolarHBondContact O-N 3.18Å; Q155-H157 PolarHBondContact NE2-CE1 3.32Å; Q155-H157 PolarHBondContact NE2-NE2 2.8Å |
| 156 | I | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.3 | 178 | -48.2 | -56.7 | 0 | 0 | 0 | 108.5 | W25 Y58 I59 L78 F87 F89 V154 I162 I165 | W25-I156 HydrophobicContact CH2-CG1 4.28Å; W25-I156 HydrophobicContact CZ3-CG1 4.2Å; Y58-I156 CarbonylContact C-O 3.51Å; Y58-I156 WeakPolarHBondContact CA-O 3.34Å; Y58-I156 VanDerWaalsContact CB-O 3.22Å; Y58-I156 WeakPolarHBondContact CB-O 3.17Å; I59-I156 HydrophobicContact CD1-CB 4.32Å; I59-I156 HydrophobicContact CD1-CG1 4.49Å; I59-I156 HydrophobicContact CG1-CB 3.9Å; I59-I156 HydrophobicContact CG1-CG1 4.34Å; I59-I156 PolarHBondContact N-O 2.84Å; I59-I156 PolarHBondContact O-N 3.01Å; L78-I156 HydrophobicContact CD2-CD1 3.64Å; L78-I156 HydrophobicContact CG-CD1 4.49Å; F87-I156 HydrophobicContact CE2-CG2 3.74Å; F87-I156 HydrophobicContact CZ-CG2 4.03Å; F89-I156 HydrophobicContact CB-CD1 3.63Å; V154-I156 HydrophobicContact CG1-CD1 3.8Å; V154-I156 HydrophobicContact CG1-CG1 4.38Å; I156-I162 HydrophobicContact CB-CD1 4.15Å; I156-I162 HydrophobicContact CG1-CD1 4.47Å; I156-I162 HydrophobicContact CG2-CD1 3.65Å; I156-I162 HydrophobicContact CG2-CG1 4.43Å; I156-I165 HydrophobicContact CD1-CD1 4.01Å; I156-I165 HydrophobicContact CG1-CD1 3.56Å |
| 157 | H | 98.2 | Very high | 97.9 | Very high | 5 Ų | 5 | 17.9 Ų | 17.9 | 2% | 0.023 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 168.9 | -178.8 | -65.3 | -103.1 | 0 | 0 | 0 | 112.3 | V54 T88 E90 Q155 | V54-H157 HydrophobicContact CG2-CB 3.6Å; V54-H157 WeakPolarHBondContact O-CB 3.23Å; V54-H157 PolarHBondContact O-ND1 2.95Å; T88-H157 VanDerWaalsContact O-CB 3.24Å; T88-H157 WeakPolarHBondContact O-CB 3.31Å; T88-H157 PolarHBondContact O-CD2 2.94Å; T88-H157 PolarHBondContact O-N 2.87Å; E90-H157 IonicContact OE1-CE1 2.73Å; E90-H157 IonicContact OE1-NE2 3.91Å; E90-H157 PolarHBondContact OE1-NE2 2.9Å; Q155-H157 PolarHBondContact NE2-CE1 3.32Å; Q155-H157 PolarHBondContact NE2-NE2 2.8Å |
| 158 | A | 96.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -58.8 | 170.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L49 T57 | L49-A158 HydrophobicContact CB-CB 4.47Å; T57-A158 HydrophobicContact CG2-CB 4.01Å; T57-A158 WeakPolarHBondContact O-CB 3.47Å; T57-A158 PolarHBondContact O-N 2.67Å |
| 159 | N | 96.8 | Very high | 97.6 | Very high | 10 Ų | 10 | 15.5 Ų | 15.5 | 5% | 0.053 | 7% | 0.073 | C | C | . | . | S | Bend | trans | 74.3 | 39.3 | 179.2 | -53 | -39.6 | 0 | 0 | 0 | 114.8 | L49 G51 K85 Y86 | L49-N159 VanDerWaalsContact O-CA 3.29Å; L49-N159 WeakPolarHBondContact O-CA 3.26Å; L49-N159 PolarHBondContact O-N 2.96Å; G51-N159 PolarHBondContact N-OD1 2.78Å; G51-N159 PolarHBondContact O-ND2 3.21Å; G51-N159 PolarHBondContact O-OD1 3.24Å; K85-N159 HydrophobicContact CB-CB 3.59Å; K85-N159 HydrophobicContact CD-CB 4.31Å; Y86-N159 VanDerWaalsContact O-CB 3.29Å; Y86-N159 WeakPolarHBondContact O-CB 3.4Å; Y86-N159 PolarHBondContact O-ND2 2.89Å |
| 160 | C | 97.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 164.5 | 170.5 | 65.2 | 0 | 0 | 0 | 0 | 111 | L49 F87 | L49-C160 PolarHBondContact N-O 2.86Å; L49-C160 PolarHBondContact O-N 2.87Å; F87-C160 HydrophobicContact CD2-CB 3.56Å; F87-C160 HydrophobicContact CE2-CB 3.59Å; F87-C160 WeakPolarHBondContact CE2-SG 3.2Å; F87-C160 HydrophobicContact CG-CB 4.39Å; F87-C160 HydrophobicContact CZ-CB 4.4Å |
| 161 | R | 98.1 | Very high | 97 | Very high | 52 Ų | 52 | 22.8 Ų | 22.8 | 20% | 0.196 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133 | 157.7 | -63.9 | 170.2 | -179.8 | 173.6 | -1.7 | 108.7 | D39 V46 L47 E48 V80 K81 L83 W129 | D39-R161 WeakPolarHBondContact OD2-CD 3.31Å; D39-R161 IonicContact OD2-CZ 3.7Å; D39-R161 IonicContact OD2-NE 3.92Å; D39-R161 IonicContact OD2-NH1 2.74Å; D39-R161 PolarHBondContact OD2-NH1 3.47Å; V46-R161 HydrophobicContact CB-CB 4.31Å; V46-R161 HydrophobicContact CG2-CB 3.99Å; V46-R161 HydrophobicContact CG2-CG 4.21Å; L47-R161 CarbonylContact O-C 3.57Å; L47-R161 WeakPolarHBondContact O-CA 3.35Å; E48-R161 HydrophobicContact CB-CG 4.01Å; E48-R161 HydrophobicContact CG-CG 4.03Å; E48-R161 IonicContact OE2-CZ 3.32Å; E48-R161 VanDerWaalsContact OE2-CZ 3.32Å; E48-R161 IonicContact OE2-NE 2.89Å; E48-R161 PolarHBondContact OE2-NE 2.77Å; E48-R161 IonicContact OE2-NH2 2.85Å; E48-R161 PolarHBondContact OE2-NH2 3.11Å; V80-R161 CarbonylContact C-O 3.59Å; V80-R161 WeakPolarHBondContact CA-O 3.22Å; K81-R161 HydrophobicContact CB-CB 3.92Å; K81-R161 PolarHBondContact N-O 3.4Å; K81-R161 PolarHBondContact O-N 2.76Å; L83-R161 HydrophobicContact CD1-CG 4.37Å; L83-R161 HydrophobicContact CD2-CG 4.11Å; W129-R161 HydrophobicContact CH2-CB 4.37Å |
| 162 | I | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.6 | -174.9 | -48.3 | 172.7 | 0 | 0 | 0 | 108.5 | L14 S16 L47 L49 I59 V80 I156 I165 | L14-I162 HydrophobicContact CD1-CG2 4.46Å; L14-I162 HydrophobicContact CD2-CB 4.39Å; L14-I162 HydrophobicContact CD2-CG2 3.66Å; S16-I162 WeakPolarHBondContact CB-O 3.47Å; L47-I162 HydrophobicContact CB-CB 4.4Å; L47-I162 PolarHBondContact N-O 2.91Å; L47-I162 PolarHBondContact O-N 3.19Å; L49-I162 HydrophobicContact CD1-CD1 3.58Å; L49-I162 HydrophobicContact CD1-CG1 4.12Å; L49-I162 HydrophobicContact CD2-CD1 4.25Å; I59-I162 HydrophobicContact CD1-CD1 3.81Å; V80-I162 HydrophobicContact CG1-CB 4.47Å; V80-I162 HydrophobicContact CG1-CG1 4.2Å; V80-I162 HydrophobicContact CG1-CG2 4.3Å; I156-I162 HydrophobicContact CB-CD1 4.15Å; I156-I162 HydrophobicContact CG1-CD1 4.47Å; I156-I162 HydrophobicContact CG2-CD1 3.65Å; I156-I162 HydrophobicContact CG2-CG1 4.43Å; I162-I165 HydrophobicContact CD1-CD1 4.5Å; I162-I165 HydrophobicContact CG2-CD1 3.92Å; I162-I165 HydrophobicContact CG2-CG1 3.71Å |
| 163 | R | 97.1 | Very high | 96 | Very high | 31 Ų | 31 | 26 Ų | 26 | 12% | 0.117 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -48.6 | 172.2 | -180 | 70.8 | -174.3 | 81.9 | 7.1 | 111.3 | F15 S16 V17 I79 W129 L183 | F15-R163 VanDerWaalsContact CE2-CZ 3.46Å; F15-R163 VanDerWaalsContact CE2-NH2 3.3Å; S16-R163 WeakPolarHBondContact CB-O 3.13Å; S16-R163 PolarHBondContact N-O 3.29Å; S16-R163 WeakPolarHBondContact OG-CA 3.43Å; S16-R163 PolarHBondContact OG-NH1 3.01Å; S16-R163 VanDerWaalsContact OG-NH1 3.13Å; S16-R163 PolarHBondContact OG-O 2.82Å; V17-R163 VanDerWaalsContact CG2-CZ 3.47Å; V17-R163 VanDerWaalsContact CG2-NH1 3.28Å; I79-R163 HydrophobicContact CB-CB 4.12Å; I79-R163 HydrophobicContact CG2-CB 3.87Å; I79-R163 HydrophobicContact CG2-CG 4.28Å; I79-R163 PolarHBondContact O-N 2.98Å; W129-R163 HydrophobicContact CE3-CB 4.38Å; W129-R163 HydrophobicContact CH2-CB 3.75Å; W129-R163 HydrophobicContact CZ3-CB 3.46Å; W129-R163 VanDerWaalsContact CZ3-CB 3.46Å; R163-L183 HydrophobicContact CG-CD1 4.23Å |
| 164 | R | 96.8 | Very high | 95.3 | Very high | 14 Ų | 14 | 27.9 Ų | 27.9 | 5% | 0.053 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 147 | -177.5 | -164.6 | -177.4 | -85.6 | -87.4 | 14.4 | 111 | S12 L14 F15 I79 Y166 E180 | S12-R164 PolarHBondContact OG-NH1 2.83Å; S12-R164 VanDerWaalsContact OG-NH1 3.09Å; L14-R164 CarbonylContact O-C 3.51Å; L14-R164 VanDerWaalsContact O-CA 3.28Å; L14-R164 WeakPolarHBondContact O-CA 3.31Å; L14-R164 WeakPolarHBondContact O-CG 3.39Å; F15-R164 HydrophobicContact CD2-CB 4.46Å; F15-R164 HydrophobicContact CD2-CG 4.22Å; F15-R164 VanDerWaalsContact CD2-NH2 3.32Å; F15-R164 VanDerWaalsContact CZ-NH2 3.34Å; I79-R164 HydrophobicContact CB-CB 4.4Å; I79-R164 HydrophobicContact CD1-CB 4.08Å; I79-R164 HydrophobicContact CG1-CB 4.27Å; I79-R164 PolarHBondContact N-O 3.39Å; R164-Y166 HydrophobicContact CG-CD1 3.9Å; R164-E180 PolarHBondContact NE-O 2.97Å; R164-E180 PolarHBondContact NH2-O 2.76Å |
| 165 | I | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 123.7 | 167.8 | -51.3 | 173.3 | 0 | 0 | 0 | 107.2 | I13 L14 W25 L76 V77 L78 I156 I162 | I13-I165 HydrophobicContact CD1-CB 4.46Å; I13-I165 HydrophobicContact CD1-CG2 3.8Å; I13-I165 HydrophobicContact CG1-CB 4Å; I13-I165 HydrophobicContact CG1-CG2 3.76Å; I13-I165 WeakPolarHBondContact CG1-O 3.41Å; I13-I165 PolarHBondContact N-O 2.95Å; L14-I165 HydrophobicContact CB-CB 4.02Å; L14-I165 HydrophobicContact CB-CD1 4.09Å; L14-I165 HydrophobicContact CB-CG1 4.1Å; L14-I165 HydrophobicContact CD1-CD1 4.05Å; L14-I165 PolarHBondContact N-O 3.24Å; L14-I165 VanDerWaalsContact N-O 3.08Å; L14-I165 PolarHBondContact O-N 2.76Å; W25-I165 HydrophobicContact CH2-CD1 3.76Å; W25-I165 HydrophobicContact CZ2-CD1 4.06Å; L76-I165 HydrophobicContact CD1-CG2 3.63Å; V77-I165 WeakPolarHBondContact O-CA 3.24Å; L78-I165 HydrophobicContact CD1-CG2 4.4Å; L78-I165 HydrophobicContact CG-CG1 4.34Å; L78-I165 HydrophobicContact CG-CG2 4.27Å; I156-I165 HydrophobicContact CD1-CD1 4.01Å; I156-I165 HydrophobicContact CG1-CD1 3.56Å; I162-I165 HydrophobicContact CD1-CD1 4.5Å; I162-I165 HydrophobicContact CG2-CD1 3.92Å; I162-I165 HydrophobicContact CG2-CG1 3.71Å |
| 166 | Y | 96.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 162.2 | -178.3 | 67.1 | -86.7 | 0 | 0 | 0 | 111.3 | F10 L11 V77 I79 R164 C168 F181 | F10-Y166 AromaticContact CD1-CD2 3.85Å; F10-Y166 HydrophobicContact CD1-CD2 3.85Å; F10-Y166 AromaticContact CD1-CE2 3.65Å; F10-Y166 HydrophobicContact CD1-CE2 3.65Å; F10-Y166 AromaticContact CE1-CE2 3.99Å; F10-Y166 HydrophobicContact CE1-CE2 3.99Å; L11-Y166 CarbonylContact O-C 3.52Å; L11-Y166 VanDerWaalsContact O-CA 3.24Å; L11-Y166 WeakPolarHBondContact O-CA 3.44Å; L11-Y166 WeakPolarHBondContact O-CB 3.37Å; V77-Y166 HydrophobicContact CB-CD1 4.08Å; V77-Y166 HydrophobicContact CB-CD2 4.24Å; V77-Y166 HydrophobicContact CB-CE1 3.63Å; V77-Y166 HydrophobicContact CB-CE2 3.79Å; V77-Y166 HydrophobicContact CB-CG 4.39Å; V77-Y166 VanDerWaalsContact CB-CZ 3.48Å; V77-Y166 HydrophobicContact CG1-CD1 4.47Å; V77-Y166 HydrophobicContact CG1-CE1 3.65Å; V77-Y166 HydrophobicContact CG1-CE2 4.39Å; V77-Y166 HydrophobicContact CG2-CD2 4.42Å; V77-Y166 HydrophobicContact CG2-CE1 4.46Å; V77-Y166 HydrophobicContact CG2-CE2 3.77Å; V77-Y166 PolarHBondContact N-O 3.05Å; V77-Y166 PolarHBondContact O-N 2.94Å; I79-Y166 HydrophobicContact CD1-CE1 4.28Å; I79-Y166 HydrophobicContact CG1-CE1 4.41Å; R164-Y166 HydrophobicContact CG-CD1 3.9Å; Y166-C168 HydrophobicContact CD2-CB 4.5Å; Y166-C168 HydrophobicContact CE2-CB 4.36Å; Y166-F181 AromaticContact CD1-CD1 3.97Å; Y166-F181 HydrophobicContact CD1-CD1 3.97Å; Y166-F181 HydrophobicContact CD1-CE1 4.09Å; Y166-F181 HydrophobicContact CD2-CD1 4.2Å; Y166-F181 AromaticContact CD2-CE1 3.94Å; Y166-F181 HydrophobicContact CD2-CE1 3.94Å; Y166-F181 AromaticContact CE1-CD1 3.89Å; Y166-F181 HydrophobicContact CE1-CD1 3.89Å; Y166-F181 HydrophobicContact CE1-CE1 4.43Å; Y166-F181 HydrophobicContact CE2-CD1 4.14Å; Y166-F181 HydrophobicContact CE2-CE1 4.31Å; Y166-F181 HydrophobicContact CG-CD1 4.1Å; Y166-F181 AromaticContact CG-CE1 3.8Å; Y166-F181 HydrophobicContact CG-CE1 3.8Å; Y166-F181 AromaticContact CZ-CD1 3.97Å |
| 167 | F | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 152 | 170.2 | -70.8 | -96 | 0 | 0 | 0 | 110.8 | F10 L11 I13 I71 L73 F75 L76 V151 V154 | F10-F167 CarbonylContact C-O 3.51Å; F10-F167 WeakPolarHBondContact CA-O 3.41Å; L11-F167 HydrophobicContact CB-CB 4.47Å; L11-F167 PolarHBondContact N-O 2.79Å; L11-F167 PolarHBondContact O-N 3.39Å; I13-F167 HydrophobicContact CD1-CE2 3.93Å; I13-F167 HydrophobicContact CG1-CE2 4.45Å; I13-F167 HydrophobicContact CG2-CD2 4.4Å; I13-F167 HydrophobicContact CG2-CE2 4.48Å; I71-F167 HydrophobicContact CD1-CD2 3.58Å; I71-F167 HydrophobicContact CD1-CE2 3.61Å; I71-F167 HydrophobicContact CD1-CG 4.37Å; I71-F167 HydrophobicContact CD1-CZ 4.43Å; I71-F167 HydrophobicContact CG2-CB 3.95Å; I71-F167 HydrophobicContact CG2-CD1 3.88Å; I71-F167 HydrophobicContact CG2-CD2 3.98Å; I71-F167 HydrophobicContact CG2-CE1 4.37Å; I71-F167 HydrophobicContact CG2-CE2 4.45Å; I71-F167 HydrophobicContact CG2-CG 3.67Å; L73-F167 HydrophobicContact CB-CB 3.76Å; L73-F167 HydrophobicContact CD1-CB 3.84Å; L73-F167 HydrophobicContact CG-CB 4.44Å; F75-F167 CarbonylContact O-C 3.57Å; F75-F167 WeakPolarHBondContact O-CA 3.22Å; F75-F167 WeakPolarHBondContact O-CD1 3.35Å; L76-F167 HydrophobicContact CB-CD1 4.03Å; L76-F167 HydrophobicContact CB-CE1 3.65Å; L76-F167 HydrophobicContact CB-CZ 4.18Å; L76-F167 HydrophobicContact CD1-CD1 4.4Å; L76-F167 HydrophobicContact CD1-CD2 4.24Å; L76-F167 HydrophobicContact CD1-CE1 3.98Å; L76-F167 HydrophobicContact CD1-CE2 3.82Å; L76-F167 HydrophobicContact CD1-CZ 3.68Å; L76-F167 HydrophobicContact CD2-CZ 4.47Å; L76-F167 HydrophobicContact CG-CE1 4.27Å; L76-F167 HydrophobicContact CG-CZ 4.31Å; V151-F167 HydrophobicContact CB-CE1 4.34Å; V151-F167 HydrophobicContact CB-CZ 4.17Å; V151-F167 HydrophobicContact CG1-CZ 4.01Å; V151-F167 HydrophobicContact CG2-CE1 3.57Å; V151-F167 HydrophobicContact CG2-CZ 3.86Å; V154-F167 HydrophobicContact CG2-CE2 4.27Å; V154-F167 HydrophobicContact CG2-CZ 3.95Å |
| 168 | C | 96.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 158.4 | 173.4 | 53.9 | 0 | 0 | 0 | 0 | 112.8 | G9 F10 P74 F75 Y166 R170 Y172 | G9-C168 WeakPolarHBondContact O-CA 3.28Å; G9-C168 VanDerWaalsContact O-CB 3.31Å; G9-C168 WeakPolarHBondContact O-CB 3.33Å; F10-C168 HydrophobicContact CD1-CB 3.93Å; F10-C168 HydrophobicContact CE1-CB 4.18Å; P74-C168 WeakPolarHBondContact CD-O 3.2Å; F75-C168 PolarHBondContact N-O 3.42Å; F75-C168 PolarHBondContact O-N 2.73Å; Y166-C168 HydrophobicContact CD2-CB 4.5Å; Y166-C168 HydrophobicContact CE2-CB 4.36Å; C168-R170 PolarHBondContact SG-O 2.86Å; C168-Y172 HydrophobicContact CB-CD2 4.23Å; C168-Y172 HydrophobicContact CB-CE2 4.05Å |
| 169 | D | 94.8 | Very high | 92.2 | Very high | 58 Ų | 58 | 42.9 Ų | 42.9 | 31% | 0.31 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -74.9 | -34.1 | 179.8 | 52.7 | 2.9 | 0 | 0 | 0 | 112.9 | G9 L73 P74 F75 Y172 | G9-D169 PolarHBondContact N-OD2 3.37Å; G9-D169 PolarHBondContact O-N 3.25Å; L73-D169 HydrophobicContact CD2-CB 3.9Å; P74-D169 WeakPolarHBondContact CG-O 3.49Å; F75-D169 WeakPolarHBondContact CE2-O 3.29Å; D169-Y172 WeakPolarHBondContact OD1-CE2 3.42Å; D169-Y172 PolarHBondContact OD1-OH 3.03Å; D169-Y172 VanDerWaalsContact OD1-OH 3.08Å |
| 170 | R | 93.6 | Very high | 91.5 | Very high | 123 Ų | 123 | 47.6 Ų | 47.6 | 46% | 0.464 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -137.6 | 170 | 176.7 | 67.6 | -173.1 | -173 | 143.2 | 15.4 | 111.8 | C168 Y172 E176 | C168-R170 PolarHBondContact SG-O 2.86Å; R170-Y172 HydrophobicContact CG-CD2 4.02Å; R170-Y172 HydrophobicContact CG-CE1 4.37Å; R170-Y172 HydrophobicContact CG-CE2 3.6Å; R170-Y172 VanDerWaalsContact O-CD2 3.26Å; R170-Y172 WeakPolarHBondContact O-CD2 3.49Å; R170-E176 IonicContact CZ-OE1 3.63Å; R170-E176 IonicContact NH1-OE1 3.88Å; R170-E176 IonicContact NH2-OE1 2.77Å; R170-E176 PolarHBondContact NH2-OE1 2.67Å |
| 171 | L | 90.2 | Very high | 90.7 | Very high | 96 Ų | 96 | 48.3 Ų | 48.3 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -75.9 | 126.7 | 166.8 | -65.9 | 176.6 | 0 | 0 | 0 | 108.8 | F75 Y133 | F75-L171 HydrophobicContact CD1-CD2 3.57Å; F75-L171 HydrophobicContact CD1-CG 3.93Å; F75-L171 HydrophobicContact CE1-CD1 4.13Å; F75-L171 HydrophobicContact CE1-CD2 3.84Å; F75-L171 HydrophobicContact CE1-CG 3.68Å; F75-L171 HydrophobicContact CG-CD2 4.09Å; F75-L171 HydrophobicContact CG-CG 4.48Å; F75-L171 HydrophobicContact CZ-CG 4.06Å; Y133-L171 HydrophobicContact CD1-CD2 3.61Å; Y133-L171 HydrophobicContact CE1-CD2 4.34Å; Y133-L171 HydrophobicContact CG-CD2 4.21Å |
| 172 | Y | 89 | Confident | 90 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 14% | 0.141 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -102.8 | 137.5 | 175.1 | -71.4 | -95.3 | 0 | 0 | 0 | 109.1 | F10 C168 D169 R170 E176 | F10-Y172 HydrophobicContact CD1-CE2 4.47Å; F10-Y172 AromaticContact CE1-CD2 3.47Å; F10-Y172 HydrophobicContact CE1-CD2 3.47Å; F10-Y172 VanDerWaalsContact CE1-CD2 3.47Å; F10-Y172 AromaticContact CE1-CE2 3.71Å; F10-Y172 HydrophobicContact CE1-CE2 3.71Å; F10-Y172 AromaticContact CE1-CG 3.94Å; F10-Y172 HydrophobicContact CE1-CG 3.94Å; F10-Y172 HydrophobicContact CE2-CD1 4.38Å; F10-Y172 HydrophobicContact CE2-CD2 4.38Å; F10-Y172 HydrophobicContact CE2-CE1 4.03Å; F10-Y172 HydrophobicContact CE2-CE2 4.05Å; F10-Y172 AromaticContact CE2-CZ 3.85Å; F10-Y172 AromaticContact CZ-CD1 3.69Å; F10-Y172 HydrophobicContact CZ-CD1 3.69Å; F10-Y172 AromaticContact CZ-CD2 3.38Å; F10-Y172 HydrophobicContact CZ-CD2 3.38Å; F10-Y172 AromaticContact CZ-CE1 3.76Å; F10-Y172 HydrophobicContact CZ-CE1 3.76Å; F10-Y172 AromaticContact CZ-CE2 3.46Å; F10-Y172 HydrophobicContact CZ-CE2 3.46Å; F10-Y172 VanDerWaalsContact CZ-CE2 3.46Å; F10-Y172 AromaticContact CZ-CG 3.5Å; F10-Y172 HydrophobicContact CZ-CG 3.5Å; F10-Y172 VanDerWaalsContact CZ-CG 3.5Å; F10-Y172 AromaticContact CZ-CZ 3.64Å; C168-Y172 HydrophobicContact CB-CD2 4.23Å; C168-Y172 HydrophobicContact CB-CE2 4.05Å; D169-Y172 WeakPolarHBondContact OD1-CE2 3.42Å; D169-Y172 PolarHBondContact OD1-OH 3.03Å; D169-Y172 VanDerWaalsContact OD1-OH 3.08Å; R170-Y172 HydrophobicContact CG-CD2 4.02Å; R170-Y172 HydrophobicContact CG-CE1 4.37Å; R170-Y172 HydrophobicContact CG-CE2 3.6Å; R170-Y172 VanDerWaalsContact O-CD2 3.26Å; R170-Y172 WeakPolarHBondContact O-CD2 3.49Å; Y172-E176 HydrophobicContact CD1-CB 3.92Å |
| 173 | S | 87.6 | Confident | 89.1 | Confident | 44 Ų | 44 | 50.2 Ų | 50.2 | 31% | 0.308 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -67.5 | 161.3 | 167 | 59.1 | 0 | 0 | 0 | 0 | 111 | E175 E176 L177 | S173-E175 WeakPolarHBondContact CB-OE2 3.19Å; S173-E175 PolarHBondContact O-N 2.9Å; S173-E176 PolarHBondContact N-OE2 3.35Å; S173-E176 PolarHBondContact O-N 2.77Å; S173-E176 VanDerWaalsContact OG-CD 3.31Å; S173-E176 WeakPolarHBondContact OG-CG 3.43Å; S173-E176 PolarHBondContact OG-N 3.38Å; S173-E176 PolarHBondContact OG-OE2 3.42Å; S173-L177 WeakPolarHBondContact O-CG 3.41Å; S173-L177 PolarHBondContact O-N 2.87Å; S173-L177 VanDerWaalsContact O-N 3.15Å |
| 174 | E | 83.2 | Confident | 88.2 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -32.4 | 177.7 | -173.1 | 64.8 | -157 | 0 | 0 | 111.1 | K182 | E174-K182 WeakPolarHBondContact O-CE 3.33Å; E174-K182 PolarHBondContact O-NZ 3.03Å; E174-K182 WeakPolarHBondContact OE1-CB 3.49Å; E174-K182 WeakPolarHBondContact OE1-CG 3.49Å |
| 175 | E | 85.3 | Confident | 87.3 | Confident | 151 Ų | 151 | 60.1 Ų | 60.1 | 71% | 0.706 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -43.7 | 176.5 | -62.9 | 78 | -165.8 | 0 | 0 | 112 | S173 L177 K182 | S173-E175 WeakPolarHBondContact CB-OE2 3.19Å; S173-E175 PolarHBondContact O-N 2.9Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 3.5Å; E175-K182 PolarHBondContact O-NZ 2.72Å |
| 176 | E | 86.1 | Confident | 86.2 | Confident | 90 Ų | 90 | 62.5 Ų | 62.5 | 42% | 0.421 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -18.2 | -178.6 | -67.7 | 170.2 | 117.6 | 0 | 0 | 113.8 | R170 Y172 S173 | R170-E176 IonicContact CZ-OE1 3.63Å; R170-E176 IonicContact NH1-OE1 3.88Å; R170-E176 IonicContact NH2-OE1 2.77Å; R170-E176 PolarHBondContact NH2-OE1 2.67Å; Y172-E176 HydrophobicContact CD1-CB 3.92Å; S173-E176 PolarHBondContact N-OE2 3.35Å; S173-E176 PolarHBondContact O-N 2.77Å; S173-E176 VanDerWaalsContact OG-CD 3.31Å; S173-E176 WeakPolarHBondContact OG-CG 3.43Å; S173-E176 PolarHBondContact OG-N 3.38Å; S173-E176 PolarHBondContact OG-OE2 3.42Å |
| 177 | L | 85.4 | Confident | 85 | Confident | 8 Ų | 8 | 68.6 Ų | 68.6 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -62.3 | 133.4 | 177.4 | -75.7 | 178.3 | 0 | 0 | 0 | 110.2 | F10 S173 E175 F181 K182 | F10-L177 HydrophobicContact CE1-CD2 3.72Å; F10-L177 HydrophobicContact CZ-CD2 3.88Å; S173-L177 WeakPolarHBondContact O-CG 3.41Å; S173-L177 PolarHBondContact O-N 2.87Å; S173-L177 VanDerWaalsContact O-N 3.15Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 3.5Å; L177-F181 HydrophobicContact CB-CB 4.36Å; L177-F181 HydrophobicContact CD2-CB 4.12Å; L177-K182 HydrophobicContact CB-CG 3.91Å; L177-K182 WeakPolarHBondContact O-CE 3.3Å |
| 178 | P | 84.9 | Confident | 83.2 | Confident | 42 Ų | 42 | 76.9 Ų | 76.9 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | trans | -59.5 | 148.9 | 167.7 | -20.6 | 31.7 | 0 | 0 | 0 | 110.4 | F10 E180 F181 K182 | F10-P178 HydrophobicContact CD2-CG 4.41Å; F10-P178 HydrophobicContact CE2-CG 3.97Å; P178-E180 HydrophobicContact CB-CG 4.48Å; P178-E180 VanDerWaalsContact CB-OE1 3.22Å; P178-E180 WeakPolarHBondContact CB-OE1 3.41Å; P178-E180 VanDerWaalsContact CB-OE2 3.23Å; P178-E180 WeakPolarHBondContact CB-OE2 3.46Å; P178-E180 PolarHBondContact O-N 2.91Å; P178-F181 HydrophobicContact CB-CD2 3.99Å; P178-F181 HydrophobicContact CG-CD2 4Å; P178-F181 HydrophobicContact CG-CE2 4.42Å; P178-F181 WeakPolarHBondContact O-CB 3.27Å; P178-F181 PolarHBondContact O-N 2.73Å; P178-K182 PolarHBondContact O-N 2.89Å | ||
| 179 | A | 82.8 | Confident | 81.2 | Confident | 59 Ų | 59 | 82.4 Ų | 82.4 | 49% | 0.488 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -54.5 | -34 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F181 K182 Y184 | A179-F181 PolarHBondContact O-N 3.08Å; A179-K182 PolarHBondContact O-N 3.32Å; A179-Y184 WeakPolarHBondContact O-CE2 3.49Å |
| 180 | E | 82.5 | Confident | 79 | Confident | 108 Ų | 108 | 85.8 Ų | 85.8 | 51% | 0.505 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -69.2 | -14.7 | 177.7 | 69.8 | -81.9 | -168 | 0 | 0 | 114.4 | R164 P178 | R164-E180 PolarHBondContact NE-O 2.97Å; R164-E180 PolarHBondContact NH2-O 2.76Å; P178-E180 HydrophobicContact CB-CG 4.48Å; P178-E180 VanDerWaalsContact CB-OE1 3.22Å; P178-E180 WeakPolarHBondContact CB-OE1 3.41Å; P178-E180 VanDerWaalsContact CB-OE2 3.23Å; P178-E180 WeakPolarHBondContact CB-OE2 3.46Å; P178-E180 PolarHBondContact O-N 2.91Å |
| 181 | F | 81.3 | Confident | 77 | Confident | 17 Ų | 17 | 91 Ų | 91 | 8% | 0.075 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -96.3 | -18.4 | 174.9 | -73.2 | -98.2 | 0 | 0 | 0 | 113.5 | F10 Y166 L177 P178 A179 | F10-F181 HydrophobicContact CB-CE1 3.83Å; F10-F181 HydrophobicContact CB-CE2 4.25Å; F10-F181 HydrophobicContact CB-CZ 3.5Å; F10-F181 HydrophobicContact CD1-CD1 4.21Å; F10-F181 AromaticContact CD1-CE1 3.96Å; F10-F181 HydrophobicContact CD1-CE1 3.96Å; F10-F181 HydrophobicContact CD1-CZ 4.27Å; F10-F181 HydrophobicContact CG-CE1 4.03Å; F10-F181 HydrophobicContact CG-CE2 4.3Å; F10-F181 AromaticContact CG-CZ 3.88Å; F10-F181 HydrophobicContact CG-CZ 3.88Å; Y166-F181 AromaticContact CD1-CD1 3.97Å; Y166-F181 HydrophobicContact CD1-CD1 3.97Å; Y166-F181 HydrophobicContact CD1-CE1 4.09Å; Y166-F181 HydrophobicContact CD2-CD1 4.2Å; Y166-F181 AromaticContact CD2-CE1 3.94Å; Y166-F181 HydrophobicContact CD2-CE1 3.94Å; Y166-F181 AromaticContact CE1-CD1 3.89Å; Y166-F181 HydrophobicContact CE1-CD1 3.89Å; Y166-F181 HydrophobicContact CE1-CE1 4.43Å; Y166-F181 HydrophobicContact CE2-CD1 4.14Å; Y166-F181 HydrophobicContact CE2-CE1 4.31Å; Y166-F181 HydrophobicContact CG-CD1 4.1Å; Y166-F181 AromaticContact CG-CE1 3.8Å; Y166-F181 HydrophobicContact CG-CE1 3.8Å; Y166-F181 AromaticContact CZ-CD1 3.97Å; L177-F181 HydrophobicContact CB-CB 4.36Å; L177-F181 HydrophobicContact CD2-CB 4.12Å; P178-F181 HydrophobicContact CB-CD2 3.99Å; P178-F181 HydrophobicContact CG-CD2 4Å; P178-F181 HydrophobicContact CG-CE2 4.42Å; P178-F181 WeakPolarHBondContact O-CB 3.27Å; P178-F181 PolarHBondContact O-N 2.73Å; A179-F181 PolarHBondContact O-N 3.08Å |
| 182 | K | 82.6 | Confident | 74.9 | Confident | 49 Ų | 49 | 93.3 Ų | 93.3 | 21% | 0.213 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -73.7 | 152.4 | 179.3 | -56.9 | -164.2 | -165.8 | -159.7 | 0 | 112.2 | E174 E175 L177 P178 A179 Y184 | E174-K182 WeakPolarHBondContact O-CE 3.33Å; E174-K182 PolarHBondContact O-NZ 3.03Å; E174-K182 WeakPolarHBondContact OE1-CB 3.49Å; E174-K182 WeakPolarHBondContact OE1-CG 3.49Å; E175-K182 PolarHBondContact O-NZ 2.72Å; L177-K182 HydrophobicContact CB-CG 3.91Å; L177-K182 WeakPolarHBondContact O-CE 3.3Å; P178-K182 PolarHBondContact O-N 2.89Å; A179-K182 PolarHBondContact O-N 3.32Å; K182-Y184 HydrophobicContact CB-CD2 4.5Å; K182-Y184 HydrophobicContact CB-CE2 3.86Å |
| 183 | L | 79.5 | Confident | 72.8 | Confident | 43 Ų | 43 | 101.5 Ų | 101.5 | 23% | 0.225 | 53% | 0.525 | C | S | . | . | trans | -102 | 107.5 | 173.3 | -170.4 | 73 | 0 | 0 | 0 | 109.5 | I42 I79 W129 R163 | I42-L183 HydrophobicContact CD1-CD1 4.03Å; I42-L183 HydrophobicContact CG2-CD1 3.92Å; I42-L183 HydrophobicContact CG2-CD2 4.32Å; I42-L183 HydrophobicContact CG2-CG 4.16Å; I79-L183 HydrophobicContact CG2-CD1 4.44Å; W129-L183 HydrophobicContact CB-CD2 3.53Å; W129-L183 HydrophobicContact CD2-CD2 4.04Å; W129-L183 HydrophobicContact CE3-CD2 4.43Å; W129-L183 HydrophobicContact CG-CD2 3.65Å; R163-L183 HydrophobicContact CG-CD1 4.23Å | ||
| 184 | Y | 78.7 | Confident | 72.1 | Confident | 145 Ų | 145 | 104.4 Ų | 104.4 | 57% | 0.569 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -92 | 128.4 | 175.5 | -60.9 | -78.3 | 0 | 0 | 0 | 110.6 | A179 K182 | A179-Y184 WeakPolarHBondContact O-CE2 3.49Å; K182-Y184 HydrophobicContact CB-CD2 4.5Å; K182-Y184 HydrophobicContact CB-CE2 3.86Å |
| 185 | L | 77.4 | Confident | 71.5 | Confident | 109 Ų | 109 | 105.7 Ų | 105.7 | 57% | 0.571 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -86.6 | 137.5 | 164.3 | -66.6 | 170.9 | 0 | 0 | 0 | 108.6 | E41 I42 | E41-L185 HydrophobicContact CG-CD2 3.93Å; I42-L185 HydrophobicContact CG2-CD2 3.87Å |
| 186 | P | 74.3 | Confident | 70.7 | Confident | 49 Ų | 49 | 103.2 Ų | 103.2 | 32% | 0.318 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -61 | 138.6 | 173.7 | 26.2 | -32.3 | 0 | 0 | 0 | 110.1 | E41 Q43 Q188 | E41-P186 WeakPolarHBondContact O-CD 3.49Å; E41-P186 WeakPolarHBondContact O-CG 3.34Å; Q43-P186 HydrophobicContact CG-CB 4.47Å; Q43-P186 HydrophobicContact CG-CG 4.01Å; P186-Q188 PolarHBondContact O-N 2.76Å |
| 187 | V | 71.3 | Confident | 69.8 | Low | 132 Ų | 132 | 103.9 Ų | 103.9 | 80% | 0.8 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 120.9 | 173.1 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | V189 | V187-V189 VanDerWaalsContact C-N 3.33Å; V187-V189 PolarHBondContact O-N 3.37Å |
| 188 | Q | 60.5 | Low | 68.8 | Low | 175 Ų | 175 | 109.9 Ų | 109.9 | 82% | 0.818 | 57% | 0.574 | S | S | * | * | trans | -68 | 97.2 | 168.7 | -70.1 | -175 | -12.1 | 0 | 0 | 107.6 | P186 N190 | P186-Q188 PolarHBondContact O-N 2.76Å; Q188-N190 VanDerWaalsContact C-N 3.35Å; Q188-N190 PolarHBondContact O-N 3.1Å | ||
| 189 | V | 54.1 | Low | 67.7 | Low | 117 Ų | 117 | 114.5 Ų | 114.5 | 71% | 0.709 | 59% | 0.594 | S | S | * | * | trans | -69.6 | 102 | 165.7 | -175.3 | 0 | 0 | 0 | 0 | 105.4 | V187 R191 | V187-V189 VanDerWaalsContact C-N 3.33Å; V187-V189 PolarHBondContact O-N 3.37Å; V189-R191 VanDerWaalsContact C-N 3.32Å; V189-R191 PolarHBondContact O-N 2.78Å | ||
| 190 | N | 49.5 | Very low | 66.7 | Low | 129 Ų | 129 | 118.4 Ų | 118.4 | 69% | 0.69 | 60% | 0.601 | S | S | * | * | trans | -56.1 | 99.9 | 168.5 | -81.4 | -17.2 | 0 | 0 | 0 | 107.6 | Q188 N192 | Q188-N190 VanDerWaalsContact C-N 3.35Å; Q188-N190 PolarHBondContact O-N 3.1Å; N190-N192 PolarHBondContact O-N 2.97Å | ||
| 191 | R | 50.1 | Low | 65.5 | Low | 231 Ų | 231 | 119.2 Ų | 119.2 | 87% | 0.872 | 61% | 0.609 | S | S | * | * | trans | -74.8 | 71.9 | 165.8 | -77.2 | -175.3 | 174 | 174.6 | -2.3 | 108 | V189 | V189-R191 VanDerWaalsContact C-N 3.32Å; V189-R191 PolarHBondContact O-N 2.78Å | ||
| 192 | N | 46 | Very low | 64.1 | Low | 145 Ų | 145 | 127.8 Ų | 127.8 | 78% | 0.775 | 65% | 0.653 | S | S | * | * | trans | -109.3 | 68.8 | 160.7 | -79.4 | 2.4 | 0 | 0 | 0 | 108 | N190 | N190-N192 PolarHBondContact O-N 2.97Š| ||
| 193 | T | 45.5 | Very low | 62.4 | Low | 209 Ų | 209 | 134.9 Ų | 134.9 | 100% | 1.282 | 69% | 0.694 | S | S | * | * | trans | -155.7 | 0 | 152.4 | 50.1 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 193 of 193 residues in 197.2 ms
(Link to these results)