| 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 | S | 96.6 | Very high | 93 | Very high | 106 Ų | 106 | 68.7 Ų | 68.7 | 74% | 0.741 | 45% | 0.445 | S | S | * | . | 0 | 167 | 0 | 48.4 | 0 | 0 | 0 | 0 | 108.8 | L59 | S1-L59 CarbonylContact C-O 3.59Å; S1-L59 VanDerWaalsContact CA-O 3.23Å; S1-L59 WeakPolarHBondContact CA-O 3.33Å | |||
| 2 | C | 96.4 | Very high | 93 | Very high | 22 Ų | 22 | 69.4 Ų | 69.4 | 15% | 0.149 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 116.4 | 174.6 | 165.2 | 0 | 0 | 0 | 0 | 108.9 | W16 T58 L59 C76 | C2-W16 HydrophobicContact CB-CH2 3.81Å; C2-W16 HydrophobicContact CB-CZ2 4.02Å; C2-T58 CarbonylContact O-C 3.59Å; C2-T58 WeakPolarHBondContact O-CA 3.37Å; C2-L59 PolarHBondContact N-O 3.44Å; C2-L59 PolarHBondContact O-N 2.95Å; C2-C76 HydrophobicContact CB-CB 3.37Å; C2-C76 WeakPolarHBondContact CB-SG 3.4Å; C2-C76 WeakPolarHBondContact SG-CB 3.36Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 3.18Å |
| 3 | A | 96.1 | Very high | 93.1 | Very high | 78 Ų | 78 | 71.8 Ų | 71.8 | 65% | 0.645 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 131.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 4 | A | 93.1 | Very high | 93.4 | Very high | 18 Ų | 18 | 67.1 Ų | 67.1 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | trans | -98.8 | 145.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | F7 F9 N57 | A4-F7 HydrophobicContact CB-CE1 3.81Å; A4-F7 HydrophobicContact CB-CE2 4.44Å; A4-F7 HydrophobicContact CB-CZ 3.61Å; A4-F9 HydrophobicContact CB-CB 4.28Å; A4-F9 HydrophobicContact CB-CD2 3.5Å; A4-F9 VanDerWaalsContact CB-CD2 3.5Å; A4-F9 HydrophobicContact CB-CE2 4.19Å; A4-F9 HydrophobicContact CB-CG 4.23Å; A4-N57 PolarHBondContact N-O 3.34Å | ||
| 5 | S | 91.8 | Very high | 93.6 | Very high | 105 Ų | 105 | 62.9 Ų | 62.9 | 73% | 0.734 | 38% | 0.376 | S | S | * | . | trans | -146.7 | 153.2 | 176.9 | 58.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 6 | G | 89.5 | Confident | 93.9 | Very high | 89 Ų | 89 | 59.8 Ų | 59.8 | 92% | 0.918 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 88.4 | 1.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 7 | F | 88.5 | Confident | 94.1 | Very high | 41 Ų | 41 | 56.7 Ų | 56.7 | 18% | 0.18 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -153.6 | 165 | 174.1 | 65.3 | -83.2 | 0 | 0 | 0 | 111.3 | A4 F9 Y12 M14 Y78 | A4-F7 HydrophobicContact CB-CE1 3.81Å; A4-F7 HydrophobicContact CB-CE2 4.44Å; A4-F7 HydrophobicContact CB-CZ 3.61Å; F7-F9 HydrophobicContact CE2-CB 4.24Å; F7-F9 HydrophobicContact CE2-CD2 4.37Å; F7-F9 HydrophobicContact CZ-CD2 4.45Å; F7-F9 PolarHBondContact O-N 3.31Å; F7-Y12 AromaticContact CD2-CD2 3.87Å; F7-Y12 HydrophobicContact CD2-CD2 3.87Å; F7-Y12 HydrophobicContact CD2-CE2 4.31Å; F7-Y12 HydrophobicContact CE2-CD2 4.35Å; F7-M14 HydrophobicContact CE2-SD 4.09Å; F7-M14 HydrophobicContact CZ-CE 4.26Å; F7-M14 HydrophobicContact CZ-SD 4.16Å; F7-Y78 HydrophobicContact CD2-CD1 4.48Å; F7-Y78 HydrophobicContact CD2-CE1 4.35Å; F7-Y78 HydrophobicContact CE2-CD1 4.18Å; F7-Y78 HydrophobicContact CE2-CE1 4.45Å; F7-Y78 HydrophobicContact CE2-CG 4.46Å; F7-Y78 HydrophobicContact CZ-CD1 4.23Å |
| 8 | D | 91.6 | Very high | 94.3 | Very high | 77 Ų | 77 | 54.6 Ų | 54.6 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | trans | -77.4 | 85.9 | 174.9 | -175.3 | -4.1 | 0 | 0 | 0 | 110.7 | S10 R11 Y12 | D8-S10 PolarHBondContact O-N 2.99Å; D8-S10 VanDerWaalsContact O-N 3.09Å; D8-S10 WeakPolarHBondContact OD1-CB 3.4Å; D8-S10 PolarHBondContact OD1-N 3Å; D8-S10 PolarHBondContact OD1-OG 3.4Å; D8-R11 HydrophobicContact CB-CG 4.43Å; D8-R11 PolarHBondContact O-N 2.97Å; D8-R11 VanDerWaalsContact O-N 3.14Å; D8-R11 WeakPolarHBondContact OD2-CD 3.38Å; D8-R11 WeakPolarHBondContact OD2-CG 3.3Å; D8-Y12 WeakPolarHBondContact O-CD2 3.34Å; D8-Y12 WeakPolarHBondContact O-CE2 3.49Å | ||
| 9 | F | 93.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -49.2 | -36.7 | 179.9 | 176.3 | -95.8 | 0 | 0 | 0 | 112.9 | A4 F7 R11 Y12 M14 R52 N54 N57 L59 | A4-F9 HydrophobicContact CB-CB 4.28Å; A4-F9 HydrophobicContact CB-CD2 3.5Å; A4-F9 VanDerWaalsContact CB-CD2 3.5Å; A4-F9 HydrophobicContact CB-CE2 4.19Å; A4-F9 HydrophobicContact CB-CG 4.23Å; F7-F9 HydrophobicContact CE2-CB 4.24Å; F7-F9 HydrophobicContact CE2-CD2 4.37Å; F7-F9 HydrophobicContact CZ-CD2 4.45Å; F7-F9 PolarHBondContact O-N 3.31Å; F9-R11 PolarHBondContact O-N 3.25Å; F9-R11 VanDerWaalsContact O-N 3.15Å; F9-Y12 PolarHBondContact O-N 3.1Å; F9-M14 HydrophobicContact CD2-CE 4.22Å; F9-M14 HydrophobicContact CD2-CG 3.97Å; F9-M14 HydrophobicContact CD2-SD 3.93Å; F9-M14 HydrophobicContact CE2-CB 4.42Å; F9-M14 HydrophobicContact CE2-CE 3.96Å; F9-M14 HydrophobicContact CE2-CG 3.5Å; F9-M14 HydrophobicContact CE2-SD 3.93Å; F9-M14 HydrophobicContact CZ-CG 4.04Å; F9-R52 VanDerWaalsContact CD1-NH2 3.32Å; F9-R52 HydrophobicContact CE1-CB 4.18Å; F9-R52 VanDerWaalsContact CE1-NH2 3.27Å; F9-R52 HydrophobicContact CZ-CB 4.13Å; F9-R52 PolarHBondContact O-NH2 2.92Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.3Å; F9-N57 HydrophobicContact CB-CB 3.93Å; F9-N57 HydrophobicContact CD1-CB 4.39Å; F9-N57 HydrophobicContact CG-CB 4.17Å; F9-L59 HydrophobicContact CE2-CB 4.22Å; F9-L59 HydrophobicContact CZ-CB 4.15Å |
| 10 | S | 93.7 | Very high | 94.5 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 30% | 0.301 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -65 | -19.5 | -174.4 | 77.7 | 0 | 0 | 0 | 0 | 114 | D8 P33 | D8-S10 PolarHBondContact O-N 2.99Å; D8-S10 VanDerWaalsContact O-N 3.09Å; D8-S10 WeakPolarHBondContact OD1-CB 3.4Å; D8-S10 PolarHBondContact OD1-N 3Å; D8-S10 PolarHBondContact OD1-OG 3.4Å; S10-P33 VanDerWaalsContact O-CB 3.28Å; S10-P33 WeakPolarHBondContact O-CB 3.09Å |
| 11 | R | 92.9 | Very high | 94.5 | Very high | 177 Ų | 177 | 56 Ų | 56 | 67% | 0.668 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -94.8 | -7.6 | -175.7 | -66 | -172.3 | 72.9 | 171.9 | 4.5 | 114.4 | D8 F9 | D8-R11 HydrophobicContact CB-CG 4.43Å; D8-R11 PolarHBondContact O-N 2.97Å; D8-R11 VanDerWaalsContact O-N 3.14Å; D8-R11 WeakPolarHBondContact OD2-CD 3.38Å; D8-R11 WeakPolarHBondContact OD2-CG 3.3Å; F9-R11 PolarHBondContact O-N 3.25Å; F9-R11 VanDerWaalsContact O-N 3.15Å |
| 12 | Y | 92.6 | Very high | 94.5 | Very high | 77 Ų | 77 | 55.4 Ų | 55.4 | 30% | 0.302 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -120.6 | 153.1 | -169.8 | -59.9 | -68.5 | 0 | 0 | 0 | 113.6 | F7 D8 F9 R52 Y78 | F7-Y12 AromaticContact CD2-CD2 3.87Å; F7-Y12 HydrophobicContact CD2-CD2 3.87Å; F7-Y12 HydrophobicContact CD2-CE2 4.31Å; F7-Y12 HydrophobicContact CE2-CD2 4.35Å; D8-Y12 WeakPolarHBondContact O-CD2 3.34Å; D8-Y12 WeakPolarHBondContact O-CE2 3.49Å; F9-Y12 PolarHBondContact O-N 3.1Å; Y12-R52 PolarHBondContact O-NH1 3.21Å; Y12-Y78 VanDerWaalsContact CB-CE2 3.45Å; Y12-Y78 AromaticContact CD1-CE2 3.62Å; Y12-Y78 HydrophobicContact CD1-CE2 3.62Å; Y12-Y78 AromaticContact CD1-CZ 3.69Å; Y12-Y78 WeakPolarHBondContact CD1-OH 3.47Å; Y12-Y78 HydrophobicContact CD2-CE2 4.19Å; Y12-Y78 AromaticContact CD2-CZ 3.93Å; Y12-Y78 HydrophobicContact CE1-CE2 4.43Å; Y12-Y78 WeakPolarHBondContact CE1-OH 3.32Å; Y12-Y78 HydrophobicContact CG-CD2 4.39Å; Y12-Y78 AromaticContact CG-CE2 3.47Å; Y12-Y78 HydrophobicContact CG-CE2 3.47Å; Y12-Y78 VanDerWaalsContact CG-CE2 3.47Å; Y12-Y78 AromaticContact CG-CZ 3.6Å |
| 13 | W | 95.2 | Very high | 94.4 | Very high | 101 Ų | 101 | 61.3 Ų | 61.3 | 38% | 0.383 | 37% | 0.365 | S | S | . | . | trans | -70.5 | 143.1 | 166.1 | -71.9 | 64.5 | 0 | 0 | 0 | 109.6 | E30 I31 N32 T37 | W13-E30 HydrophobicContact CE3-CB 4.29Å; W13-E30 HydrophobicContact CE3-CG 3.49Å; W13-E30 VanDerWaalsContact CE3-CG 3.49Å; W13-E30 HydrophobicContact CZ3-CG 3.64Å; W13-I31 WeakPolarHBondContact CA-O 3.42Å; W13-N32 HydrophobicContact CD2-CB 3.73Å; W13-N32 HydrophobicContact CE3-CB 4.03Å; W13-N32 HydrophobicContact CG-CB 4.42Å; W13-N32 HydrophobicContact CH2-CB 3.75Å; W13-N32 HydrophobicContact CZ2-CB 3.4Å; W13-N32 HydrophobicContact CZ3-CB 4.04Å; W13-T37 HydrophobicContact CH2-CG2 3.98Å | ||
| 14 | M | 96.5 | Very high | 94.3 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.03 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 137.2 | -176.5 | -63.8 | -61.3 | -52.3 | 0 | 0 | 109.6 | F7 F9 E30 I31 L59 Y78 | F7-M14 HydrophobicContact CE2-SD 4.09Å; F7-M14 HydrophobicContact CZ-CE 4.26Å; F7-M14 HydrophobicContact CZ-SD 4.16Å; F9-M14 HydrophobicContact CD2-CE 4.22Å; F9-M14 HydrophobicContact CD2-CG 3.97Å; F9-M14 HydrophobicContact CD2-SD 3.93Å; F9-M14 HydrophobicContact CE2-CB 4.42Å; F9-M14 HydrophobicContact CE2-CE 3.96Å; F9-M14 HydrophobicContact CE2-CG 3.5Å; F9-M14 HydrophobicContact CE2-SD 3.93Å; F9-M14 HydrophobicContact CZ-CG 4.04Å; M14-E30 CarbonylContact O-C 3.46Å; M14-E30 WeakPolarHBondContact O-CA 3.31Å; M14-E30 WeakPolarHBondContact O-CB 3.44Å; M14-I31 HydrophobicContact CB-CG2 4.43Å; M14-I31 PolarHBondContact N-O 2.79Å; M14-I31 VanDerWaalsContact N-O 3.11Å; M14-I31 PolarHBondContact O-N 2.9Å; M14-L59 HydrophobicContact CB-CD1 3.75Å; M14-L59 HydrophobicContact CB-CD2 3.91Å; M14-L59 HydrophobicContact CB-CG 4.35Å; M14-Y78 HydrophobicContact SD-CD2 4.37Å; M14-Y78 HydrophobicContact SD-CG 4.37Å |
| 15 | S | 97.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 64.2 Ų | 64.2 | 3% | 0.028 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 154.6 | -169.7 | -61.6 | 0 | 0 | 0 | 0 | 112 | G29 E30 C76 Y77 | S15-G29 CarbonylContact C-O 3.56Å; S15-G29 WeakPolarHBondContact CA-O 3.45Å; S15-E30 VanDerWaalsContact OG-CB 3.24Å; S15-E30 WeakPolarHBondContact OG-CB 3.3Å; S15-C76 CarbonylContact O-C 3.59Å; S15-C76 WeakPolarHBondContact O-CA 3.1Å; S15-Y77 PolarHBondContact N-O 3.08Å; S15-Y77 PolarHBondContact O-N 3.29Å |
| 16 | W | 97.9 | Very high | 94.7 | Very high | 13 Ų | 13 | 62.2 Ų | 62.2 | 5% | 0.049 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 138.3 | 164 | -77.5 | 100.4 | 0 | 0 | 0 | 110.3 | C2 I28 G29 L59 Y60 L61 Y75 C76 | C2-W16 HydrophobicContact CB-CH2 3.81Å; C2-W16 HydrophobicContact CB-CZ2 4.02Å; W16-I28 HydrophobicContact CB-CB 4.07Å; W16-I28 HydrophobicContact CB-CD1 4.19Å; W16-I28 WeakPolarHBondContact O-CB 3.33Å; W16-I28 PolarHBondContact O-N 3.09Å; W16-G29 PolarHBondContact N-O 3.18Å; W16-L59 HydrophobicContact CD2-CD2 4.29Å; W16-L59 HydrophobicContact CG-CD2 4.26Å; W16-L59 HydrophobicContact CZ2-CD2 4.19Å; W16-L59 HydrophobicContact CZ2-CG 4.29Å; W16-L59 VanDerWaalsContact NE1-CG 3.33Å; W16-Y60 PolarHBondContact NE1-O 3.04Å; W16-Y60 VanDerWaalsContact NE1-O 3.16Å; W16-L61 HydrophobicContact CB-CD1 4.27Å; W16-L61 HydrophobicContact CB-CD2 4.38Å; W16-L61 HydrophobicContact CD2-CB 3.87Å; W16-L61 HydrophobicContact CD2-CD1 4.47Å; W16-L61 HydrophobicContact CD2-CD2 3.97Å; W16-L61 HydrophobicContact CD2-CG 4.34Å; W16-L61 HydrophobicContact CE3-CB 4.46Å; W16-L61 HydrophobicContact CE3-CD2 4.11Å; W16-L61 HydrophobicContact CG-CB 4.17Å; W16-L61 HydrophobicContact CG-CD1 3.93Å; W16-L61 HydrophobicContact CG-CD2 4.08Å; W16-L61 HydrophobicContact CG-CG 4.31Å; W16-L61 HydrophobicContact CZ2-CB 3.95Å; W16-Y75 WeakPolarHBondContact CA-O 3.35Å; W16-C76 HydrophobicContact CE3-CB 4.44Å; W16-C76 HydrophobicContact CH2-CB 4.2Å; W16-C76 HydrophobicContact CZ2-CB 4.4Å; W16-C76 HydrophobicContact CZ3-CB 4.23Å |
| 17 | V | 97.4 | Very high | 95 | Very high | 7 Ų | 7 | 62.1 Ų | 62.1 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 147 | 176.8 | -179.2 | 0 | 0 | 0 | 0 | 107.5 | L25 E26 Y75 W84 | V17-L25 HydrophobicContact CG1-CB 3.93Å; V17-L25 HydrophobicContact CG1-CD2 3.82Å; V17-L25 HydrophobicContact CG1-CG 4.41Å; V17-E26 CarbonylContact C-O 3.59Å; V17-E26 WeakPolarHBondContact CA-O 3.47Å; V17-E26 WeakPolarHBondContact CG1-O 3.49Å; V17-Y75 PolarHBondContact N-O 3.08Å; V17-Y75 PolarHBondContact O-N 3.13Å; V17-W84 HydrophobicContact CB-CH2 4.17Å; V17-W84 HydrophobicContact CB-CZ3 3.81Å; V17-W84 HydrophobicContact CG1-CH2 4.01Å; V17-W84 HydrophobicContact CG1-CZ3 3.9Å; V17-W84 HydrophobicContact CG2-CH2 3.93Å; V17-W84 HydrophobicContact CG2-CZ3 3.95Å |
| 18 | R | 97 | Very high | 95.4 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 7% | 0.072 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 159.3 | 170.9 | 66.2 | 177.5 | -169.5 | 177.5 | 2.1 | 112.7 | E26 I28 D70 A72 L73 Y74 | R18-E26 HydrophobicContact CG-CB 4.17Å; R18-E26 IonicContact CZ-OE2 2.78Å; R18-E26 PolarHBondContact N-O 3.05Å; R18-E26 IonicContact NE-OE2 3.2Å; R18-E26 PolarHBondContact NE-OE2 2.83Å; R18-E26 IonicContact NH2-OE1 2.71Å; R18-E26 IonicContact NH2-OE2 3.67Å; R18-E26 PolarHBondContact NH2-OE2 2.88Å; R18-E26 PolarHBondContact O-N 2.86Å; R18-I28 HydrophobicContact CB-CD1 4.01Å; R18-I28 HydrophobicContact CB-CG1 4.41Å; R18-I28 HydrophobicContact CG-CD1 4.08Å; R18-I28 HydrophobicContact CG-CG1 4.05Å; R18-D70 IonicContact CZ-OD1 2.9Å; R18-D70 IonicContact NH1-OD1 3.91Å; R18-D70 PolarHBondContact NH1-OD1 3.09Å; R18-D70 IonicContact NH2-OD1 2.83Å; R18-A72 HydrophobicContact CB-CB 4.02Å; R18-L73 CarbonylContact C-O 3.4Å; R18-L73 WeakPolarHBondContact CA-O 3.32Å; R18-L73 WeakPolarHBondContact CB-O 2.97Å; R18-Y74 HydrophobicContact CB-CD1 3.89Å; R18-Y74 HydrophobicContact CB-CE1 3.86Å; R18-Y74 HydrophobicContact CB-CG 4.27Å; R18-Y74 HydrophobicContact CG-CE1 4.49Å |
| 19 | Q | 97.4 | Very high | 95.7 | Very high | 70 Ų | 70 | 56.5 Ų | 56.5 | 33% | 0.327 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 107 | 173.5 | -168.7 | 178.2 | 23.9 | 0 | 0 | 109.7 | K23 L25 A72 L73 Y75 | Q19-K23 WeakPolarHBondContact CG-O 3.23Å; Q19-K23 PolarHBondContact NE2-O 2.78Å; Q19-L25 HydrophobicContact CB-CD2 4.09Å; Q19-A72 WeakPolarHBondContact O-CA 3.32Å; Q19-A72 VanDerWaalsContact O-CB 3.3Å; Q19-A72 WeakPolarHBondContact O-CB 3.49Å; Q19-L73 HydrophobicContact CB-CB 4.49Å; Q19-L73 PolarHBondContact N-O 2.8Å; Q19-L73 PolarHBondContact O-N 3.11Å; Q19-Y75 HydrophobicContact CB-CE2 4.09Å |
| 20 | A | 96.1 | Very high | 95.9 | Very high | 15 Ų | 15 | 58.7 Ų | 58.7 | 12% | 0.124 | 31% | 0.313 | C | S | . | . | trans | -74.6 | 153.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | G22 K23 A72 | A20-G22 PolarHBondContact O-N 3.21Å; A20-K23 HydrophobicContact CB-CB 4.17Å; A20-K23 HydrophobicContact CB-CD 4.03Å; A20-K23 HydrophobicContact CB-CG 4.16Å; A20-K23 PolarHBondContact O-N 2.86Å; A20-A72 HydrophobicContact CB-CB 4.37Å | ||
| 21 | P | 94.9 | Very high | 96.1 | Very high | 107 Ų | 107 | 56.8 Ų | 56.8 | 70% | 0.695 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 127.1 | 176.5 | -26.2 | 34.7 | 0 | 0 | 0 | 111.9 | K23 T71 | P21-K23 PolarHBondContact O-N 3.13Å; P21-T71 WeakPolarHBondContact CD-O 3.35Å |
| 22 | G | 95.1 | Very high | 96.3 | Very high | 94 Ų | 94 | 49 Ų | 49 | 97% | 0.969 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A20 | A20-G22 PolarHBondContact O-N 3.21Š|
| 23 | K | 94.9 | Very high | 96.4 | Very high | 146 Ų | 146 | 46.9 Ų | 46.9 | 64% | 0.635 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -113.8 | 161.2 | 175.9 | -60.1 | -164.5 | -177.2 | 176.2 | 0 | 112 | Q19 A20 P21 | Q19-K23 WeakPolarHBondContact CG-O 3.23Å; Q19-K23 PolarHBondContact NE2-O 2.78Å; A20-K23 HydrophobicContact CB-CB 4.17Å; A20-K23 HydrophobicContact CB-CD 4.03Å; A20-K23 HydrophobicContact CB-CG 4.16Å; A20-K23 PolarHBondContact O-N 2.86Å; P21-K23 PolarHBondContact O-N 3.13Å |
| 24 | G | 95.2 | Very high | 96.5 | Very high | 55 Ų | 55 | 47.3 Ų | 47.3 | 57% | 0.567 | 28% | 0.276 | S | S | * | . | trans | -71.4 | 177.6 | 170 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 25 | L | 95.6 | Very high | 96.5 | Very high | 102 Ų | 102 | 49.6 Ų | 49.6 | 53% | 0.534 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 131 | 172.6 | -68 | 167.4 | 0 | 0 | 0 | 110.1 | V17 Q19 Y75 W84 | V17-L25 HydrophobicContact CG1-CB 3.93Å; V17-L25 HydrophobicContact CG1-CD2 3.82Å; V17-L25 HydrophobicContact CG1-CG 4.41Å; Q19-L25 HydrophobicContact CB-CD2 4.09Å; L25-Y75 HydrophobicContact CD2-CD2 4.47Å; L25-Y75 HydrophobicContact CD2-CE2 4.36Å; L25-W84 HydrophobicContact CD1-CH2 3.92Å; L25-W84 HydrophobicContact CD1-CZ2 4.42Å; L25-W84 HydrophobicContact CD1-CZ3 4.45Å; L25-W84 HydrophobicContact CD2-CH2 4.49Å; L25-W84 HydrophobicContact CD2-CZ3 4.32Å |
| 26 | E | 96.1 | Very high | 96.5 | Very high | 64 Ų | 64 | 53.4 Ų | 53.4 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 118.3 | 176.9 | -176.1 | -178.1 | -160.6 | 0 | 0 | 108.7 | V17 R18 L44 | V17-E26 CarbonylContact C-O 3.59Å; V17-E26 WeakPolarHBondContact CA-O 3.47Å; V17-E26 WeakPolarHBondContact CG1-O 3.49Å; R18-E26 HydrophobicContact CG-CB 4.17Å; R18-E26 IonicContact CZ-OE2 2.78Å; R18-E26 PolarHBondContact N-O 3.05Å; R18-E26 IonicContact NE-OE2 3.2Å; R18-E26 PolarHBondContact NE-OE2 2.83Å; R18-E26 IonicContact NH2-OE1 2.71Å; R18-E26 IonicContact NH2-OE2 3.67Å; R18-E26 PolarHBondContact NH2-OE2 2.88Å; R18-E26 PolarHBondContact O-N 2.86Å; E26-L44 HydrophobicContact CG-CD1 4.29Å |
| 27 | W | 96.8 | Very high | 96.5 | Very high | 86 Ų | 86 | 55.5 Ų | 55.5 | 33% | 0.326 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 133.3 | 175.1 | -180 | 82.5 | 0 | 0 | 0 | 110.2 | G29 E30 N39 T41 | W27-G29 VanDerWaalsContact CE2-C 3.48Å; W27-G29 VanDerWaalsContact CE2-CA 3.5Å; W27-G29 PolarHBondContact NE1-O 2.73Å; W27-E30 HydrophobicContact CH2-CG 4.46Å; W27-E30 HydrophobicContact CZ2-CB 3.82Å; W27-E30 HydrophobicContact CZ2-CG 3.67Å; W27-N39 HydrophobicContact CH2-CB 3.73Å; W27-N39 HydrophobicContact CZ2-CB 4.35Å; W27-T41 VanDerWaalsContact CE3-OG1 3.29Å; W27-T41 WeakPolarHBondContact O-CB 3.41Å; W27-T41 PolarHBondContact O-OG1 2.88Å |
| 28 | I | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -47.8 | 179.6 | -61.5 | 180 | 0 | 0 | 0 | 110.4 | W16 R18 Y40 T41 L44 F48 L61 Y74 | W16-I28 HydrophobicContact CB-CB 4.07Å; W16-I28 HydrophobicContact CB-CD1 4.19Å; W16-I28 WeakPolarHBondContact O-CB 3.33Å; W16-I28 PolarHBondContact O-N 3.09Å; R18-I28 HydrophobicContact CB-CD1 4.01Å; R18-I28 HydrophobicContact CB-CG1 4.41Å; R18-I28 HydrophobicContact CG-CD1 4.08Å; R18-I28 HydrophobicContact CG-CG1 4.05Å; I28-Y40 WeakPolarHBondContact O-CA 3.39Å; I28-T41 PolarHBondContact O-N 2.78Å; I28-L44 HydrophobicContact CB-CD1 4.48Å; I28-L44 HydrophobicContact CG1-CD1 4.14Å; I28-F48 HydrophobicContact CG2-CB 4.08Å; I28-F48 HydrophobicContact CG2-CD2 3.7Å; I28-F48 HydrophobicContact CG2-CE2 4.49Å; I28-F48 HydrophobicContact CG2-CG 4.08Å; I28-L61 HydrophobicContact CD1-CD2 3.94Å; I28-L61 HydrophobicContact CG2-CD1 4.34Å; I28-Y74 HydrophobicContact CD1-CD1 3.64Å; I28-Y74 HydrophobicContact CD1-CE1 3.51Å |
| 29 | G | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.5 | 173.9 | -172 | 0 | 0 | 0 | 0 | 0 | 112.1 | S15 W16 W27 N39 | S15-G29 CarbonylContact C-O 3.56Å; S15-G29 WeakPolarHBondContact CA-O 3.45Å; W16-G29 PolarHBondContact N-O 3.18Å; W27-G29 VanDerWaalsContact CE2-C 3.48Å; W27-G29 VanDerWaalsContact CE2-CA 3.5Å; W27-G29 PolarHBondContact NE1-O 2.73Å; G29-N39 CarbonylContact C-O 3.58Å; G29-N39 WeakPolarHBondContact CA-O 3.3Å |
| 30 | E | 97.2 | Very high | 96.5 | Very high | 47 Ų | 47 | 59.1 Ų | 59.1 | 22% | 0.22 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 156.9 | 178 | 72.4 | -173 | 160.9 | 0 | 0 | 111.2 | W13 M14 S15 W27 I38 N39 | W13-E30 HydrophobicContact CE3-CB 4.29Å; W13-E30 HydrophobicContact CE3-CG 3.49Å; W13-E30 VanDerWaalsContact CE3-CG 3.49Å; W13-E30 HydrophobicContact CZ3-CG 3.64Å; M14-E30 CarbonylContact O-C 3.46Å; M14-E30 WeakPolarHBondContact O-CA 3.31Å; M14-E30 WeakPolarHBondContact O-CB 3.44Å; S15-E30 VanDerWaalsContact OG-CB 3.24Å; S15-E30 WeakPolarHBondContact OG-CB 3.3Å; W27-E30 HydrophobicContact CH2-CG 4.46Å; W27-E30 HydrophobicContact CZ2-CB 3.82Å; W27-E30 HydrophobicContact CZ2-CG 3.67Å; E30-I38 WeakPolarHBondContact O-CA 3.41Å; E30-I38 VanDerWaalsContact O-CG2 3.23Å; E30-I38 WeakPolarHBondContact O-CG2 3.44Å; E30-N39 HydrophobicContact CG-CB 4.1Å; E30-N39 PolarHBondContact N-O 2.9Å; E30-N39 PolarHBondContact O-N 2.84Å; E30-N39 PolarHBondContact OE1-ND2 2.83Å |
| 31 | I | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 136.6 | 179 | -175.1 | 161.6 | 0 | 0 | 0 | 110.4 | W13 M14 I38 I50 R52 L59 | W13-I31 WeakPolarHBondContact CA-O 3.42Å; M14-I31 HydrophobicContact CB-CG2 4.43Å; M14-I31 PolarHBondContact N-O 2.79Å; M14-I31 VanDerWaalsContact N-O 3.11Å; M14-I31 PolarHBondContact O-N 2.9Å; I31-I38 HydrophobicContact CB-CG1 4.43Å; I31-I38 HydrophobicContact CB-CG2 4.46Å; I31-I38 HydrophobicContact CD1-CD1 3.91Å; I31-I38 HydrophobicContact CD1-CG1 3.97Å; I31-I38 HydrophobicContact CG1-CD1 4.48Å; I31-I38 HydrophobicContact CG1-CG1 3.98Å; I31-I50 HydrophobicContact CB-CG2 3.85Å; I31-I50 HydrophobicContact CD1-CG2 4.5Å; I31-I50 HydrophobicContact CG2-CG2 3.62Å; I31-R52 HydrophobicContact CD1-CG 3.99Å; I31-R52 HydrophobicContact CG1-CG 4.43Å; I31-R52 HydrophobicContact CG2-CB 4.47Å; I31-L59 HydrophobicContact CG2-CD1 3.52Å |
| 32 | N | 96.3 | Very high | 96.6 | Very high | 13 Ų | 13 | 60.4 Ų | 60.4 | 7% | 0.07 | 36% | 0.359 | C | S | . | . | trans | -78.2 | 166.6 | 179.1 | 77.8 | -27 | 0 | 0 | 0 | 112.2 | W13 D34 S35 S36 T37 R52 | W13-N32 HydrophobicContact CD2-CB 3.73Å; W13-N32 HydrophobicContact CE3-CB 4.03Å; W13-N32 HydrophobicContact CG-CB 4.42Å; W13-N32 HydrophobicContact CH2-CB 3.75Å; W13-N32 HydrophobicContact CZ2-CB 3.4Å; W13-N32 HydrophobicContact CZ3-CB 4.04Å; N32-D34 VanDerWaalsContact CG-OD1 3.23Å; N32-D34 PolarHBondContact ND2-OD1 2.81Å; N32-D34 PolarHBondContact O-N 2.74Å; N32-D34 PolarHBondContact OD1-OD1 2.75Å; N32-S35 PolarHBondContact O-N 3.03Å; N32-S35 VanDerWaalsContact OD1-C 3.3Å; N32-S35 VanDerWaalsContact OD1-CA 3.25Å; N32-S35 WeakPolarHBondContact OD1-CA 3Å; N32-S35 PolarHBondContact OD1-N 2.78Å; N32-S35 VanDerWaalsContact OD1-N 3.08Å; N32-S36 PolarHBondContact ND2-OG 2.96Å; N32-S36 PolarHBondContact OD1-N 2.02Å; N32-T37 PolarHBondContact N-O 3.47Å; N32-T37 VanDerWaalsContact N-O 3.13Å; N32-T37 PolarHBondContact OD1-N 3.26Å; N32-T37 PolarHBondContact OD1-O 3.04Å; N32-T37 VanDerWaalsContact OD1-O 3.08Å; N32-R52 VanDerWaalsContact O-CD 3.32Å; N32-R52 WeakPolarHBondContact O-CD 3.4Å; N32-R52 PolarHBondContact O-NH1 2.91Å; N32-R52 VanDerWaalsContact O-NH1 3.11Å | ||
| 33 | P | 96.3 | Very high | 96.4 | Very high | 34 Ų | 34 | 59.8 Ų | 59.8 | 22% | 0.221 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.5 | -46.6 | -179.3 | -40.2 | 44 | 0 | 0 | 0 | 117.1 | S10 R52 N54 | S10-P33 VanDerWaalsContact O-CB 3.28Å; S10-P33 WeakPolarHBondContact O-CB 3.09Å; P33-R52 VanDerWaalsContact CA-NH1 3.3Å; P33-N54 PolarHBondContact O-ND2 2.82Å |
| 34 | D | 96.1 | Very high | 96.4 | Very high | 110 Ų | 110 | 53 Ų | 53 | 59% | 0.588 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 4.1 | -175 | 66.7 | 7.8 | 0 | 0 | 0 | 113.2 | N32 S36 | N32-D34 VanDerWaalsContact CG-OD1 3.23Å; N32-D34 PolarHBondContact ND2-OD1 2.81Å; N32-D34 PolarHBondContact O-N 2.74Å; N32-D34 PolarHBondContact OD1-OD1 2.75Å; D34-S36 VanDerWaalsContact CG-OG 3.31Å; D34-S36 PolarHBondContact O-N 3.2Å; D34-S36 VanDerWaalsContact O-N 3.17Å; D34-S36 VanDerWaalsContact OD1-CB 3.24Å; D34-S36 WeakPolarHBondContact OD1-CB 3.01Å; D34-S36 PolarHBondContact OD1-N 3.02Å; D34-S36 PolarHBondContact OD1-OG 2.84Å; D34-S36 PolarHBondContact OD2-OG 2.87Å |
| 35 | S | 97.1 | Very high | 96.2 | Very high | 53 Ų | 53 | 56.5 Ų | 56.5 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 61.5 | 11.7 | -177.9 | -47.1 | 0 | 0 | 0 | 0 | 115.4 | N32 T37 R52 | N32-S35 PolarHBondContact O-N 3.03Å; N32-S35 VanDerWaalsContact OD1-C 3.3Å; N32-S35 VanDerWaalsContact OD1-CA 3.25Å; N32-S35 WeakPolarHBondContact OD1-CA 3Å; N32-S35 PolarHBondContact OD1-N 2.78Å; N32-S35 VanDerWaalsContact OD1-N 3.08Å; S35-T37 VanDerWaalsContact C-N 3.3Å; S35-R52 WeakPolarHBondContact OG-CD 3.46Å; S35-R52 VanDerWaalsContact OG-CG 3.25Å; S35-R52 WeakPolarHBondContact OG-CG 3.44Å |
| 36 | S | 97.4 | Very high | 96.1 | Very high | 84 Ų | 84 | 57.6 Ų | 57.6 | 59% | 0.587 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -73.1 | -23.8 | 177.7 | 63.5 | 0 | 0 | 0 | 0 | 113.2 | N32 D34 | N32-S36 PolarHBondContact ND2-OG 2.96Å; N32-S36 PolarHBondContact OD1-N 2.02Å; D34-S36 VanDerWaalsContact CG-OG 3.31Å; D34-S36 PolarHBondContact O-N 3.2Å; D34-S36 VanDerWaalsContact O-N 3.17Å; D34-S36 VanDerWaalsContact OD1-CB 3.24Å; D34-S36 WeakPolarHBondContact OD1-CB 3.01Å; D34-S36 PolarHBondContact OD1-N 3.02Å; D34-S36 PolarHBondContact OD1-OG 2.84Å; D34-S36 PolarHBondContact OD2-OG 2.87Å |
| 37 | T | 97.7 | Very high | 96.1 | Very high | 57 Ų | 57 | 55.8 Ų | 55.8 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | trans | -127.9 | 130.6 | -178.5 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | W13 N32 S35 | W13-T37 HydrophobicContact CH2-CG2 3.98Å; N32-T37 PolarHBondContact N-O 3.47Å; N32-T37 VanDerWaalsContact N-O 3.13Å; N32-T37 PolarHBondContact OD1-N 3.26Å; N32-T37 PolarHBondContact OD1-O 3.04Å; N32-T37 VanDerWaalsContact OD1-O 3.08Å; S35-T37 VanDerWaalsContact C-N 3.3Å | ||
| 38 | I | 97.6 | Very high | 96.1 | Very high | 62 Ų | 62 | 51.7 Ų | 51.7 | 32% | 0.318 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 120.5 | 173.4 | -44.5 | 178.2 | 0 | 0 | 0 | 108.7 | E30 I31 Y40 I50 | E30-I38 WeakPolarHBondContact O-CA 3.41Å; E30-I38 VanDerWaalsContact O-CG2 3.23Å; E30-I38 WeakPolarHBondContact O-CG2 3.44Å; I31-I38 HydrophobicContact CB-CG1 4.43Å; I31-I38 HydrophobicContact CB-CG2 4.46Å; I31-I38 HydrophobicContact CD1-CD1 3.91Å; I31-I38 HydrophobicContact CD1-CG1 3.97Å; I31-I38 HydrophobicContact CG1-CD1 4.48Å; I31-I38 HydrophobicContact CG1-CG1 3.98Å; I38-Y40 HydrophobicContact CB-CE2 3.85Å; I38-Y40 HydrophobicContact CG2-CD2 3.99Å; I38-Y40 HydrophobicContact CG2-CE1 4.39Å; I38-Y40 HydrophobicContact CG2-CE2 3.25Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.49Å; I38-I50 HydrophobicContact CG2-CB 4.18Å; I38-I50 HydrophobicContact CG2-CD1 4.48Å |
| 39 | N | 97.2 | Very high | 96 | Very high | 67 Ų | 67 | 55.6 Ų | 55.6 | 36% | 0.358 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 146.8 | 174.6 | -58.9 | -40.1 | 0 | 0 | 0 | 109.5 | W27 G29 E30 | W27-N39 HydrophobicContact CH2-CB 3.73Å; W27-N39 HydrophobicContact CZ2-CB 4.35Å; G29-N39 CarbonylContact C-O 3.58Å; G29-N39 WeakPolarHBondContact CA-O 3.3Å; E30-N39 HydrophobicContact CG-CB 4.1Å; E30-N39 PolarHBondContact N-O 2.9Å; E30-N39 PolarHBondContact O-N 2.84Å; E30-N39 PolarHBondContact OE1-ND2 2.83Å |
| 40 | Y | 97.4 | Very high | 96 | Very high | 44 Ų | 44 | 55.7 Ų | 55.7 | 17% | 0.173 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 152.9 | -179.7 | -71.1 | -87.6 | 0 | 0 | 0 | 111.1 | I28 I38 P42 K45 F48 I50 | I28-Y40 WeakPolarHBondContact O-CA 3.39Å; I38-Y40 HydrophobicContact CB-CE2 3.85Å; I38-Y40 HydrophobicContact CG2-CD2 3.99Å; I38-Y40 HydrophobicContact CG2-CE1 4.39Å; I38-Y40 HydrophobicContact CG2-CE2 3.25Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.49Å; Y40-P42 WeakPolarHBondContact O-CD 3.44Å; Y40-K45 HydrophobicContact CD2-CD 4.44Å; Y40-K45 HydrophobicContact CD2-CG 3.97Å; Y40-K45 HydrophobicContact CG-CB 4.12Å; Y40-K45 HydrophobicContact CG-CG 4.02Å; Y40-F48 WeakPolarHBondContact CE1-O 3.38Å; Y40-I50 HydrophobicContact CD1-CD1 4.36Å; Y40-I50 HydrophobicContact CE1-CD1 3.85Å; Y40-I50 HydrophobicContact CE1-CG1 3.84Å; Y40-I50 PolarHBondContact OH-N 2.61Å |
| 41 | T | 96.5 | Very high | 96.1 | Very high | 30 Ų | 30 | 55.9 Ų | 55.9 | 18% | 0.184 | 32% | 0.32 | C | S | . | . | trans | -64.4 | 124 | 157.4 | -68.4 | 0 | 0 | 0 | 0 | 108.6 | W27 I28 S43 L44 K45 | W27-T41 VanDerWaalsContact CE3-OG1 3.29Å; W27-T41 WeakPolarHBondContact O-CB 3.41Å; W27-T41 PolarHBondContact O-OG1 2.88Å; I28-T41 PolarHBondContact O-N 2.78Å; T41-S43 VanDerWaalsContact C-N 3.27Å; T41-S43 WeakPolarHBondContact CG2-OG 3.34Å; T41-S43 PolarHBondContact O-N 3.28Å; T41-S43 VanDerWaalsContact O-N 3.13Å; T41-L44 HydrophobicContact CG2-CD1 4.27Å; T41-L44 HydrophobicContact CG2-CG 4.09Å; T41-L44 PolarHBondContact O-N 3.16Å; T41-K45 PolarHBondContact O-N 3.41Å | ||
| 42 | P | 95.2 | Very high | 96.1 | Very high | 118 Ų | 118 | 57 Ų | 57 | 77% | 0.766 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -38.8 | -171.4 | -30.7 | 35.9 | 0 | 0 | 0 | 114.8 | Y40 L44 | Y40-P42 WeakPolarHBondContact O-CD 3.44Å; P42-L44 PolarHBondContact O-N 3.14Å |
| 43 | S | 92.4 | Very high | 96.1 | Very high | 82 Ų | 82 | 58.2 Ų | 58.2 | 57% | 0.573 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -15.3 | 179.2 | 55 | 0 | 0 | 0 | 0 | 114.3 | T41 | T41-S43 VanDerWaalsContact C-N 3.27Å; T41-S43 WeakPolarHBondContact CG2-OG 3.34Å; T41-S43 PolarHBondContact O-N 3.28Å; T41-S43 VanDerWaalsContact O-N 3.13Å |
| 44 | L | 93.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -13.7 | -172.6 | -56.6 | -173.2 | 0 | 0 | 0 | 113.5 | E26 I28 T41 P42 D46 K47 F48 | E26-L44 HydrophobicContact CG-CD1 4.29Å; I28-L44 HydrophobicContact CB-CD1 4.48Å; I28-L44 HydrophobicContact CG1-CD1 4.14Å; T41-L44 HydrophobicContact CG2-CD1 4.27Å; T41-L44 HydrophobicContact CG2-CG 4.09Å; T41-L44 PolarHBondContact O-N 3.16Å; P42-L44 PolarHBondContact O-N 3.14Å; L44-D46 VanDerWaalsContact C-N 3.27Å; L44-D46 PolarHBondContact O-N 3.23Å; L44-K47 PolarHBondContact O-N 2.84Å; L44-F48 HydrophobicContact CB-CD2 3.91Å; L44-F48 HydrophobicContact CB-CE2 4.11Å; L44-F48 HydrophobicContact CD1-CE2 4.43Å; L44-F48 HydrophobicContact CD2-CE2 4.23Å; L44-F48 HydrophobicContact CG-CE2 4.49Å; L44-F48 WeakPolarHBondContact O-CD2 3.48Å; L44-F48 PolarHBondContact O-N 2.9Å |
| 45 | K | 92.4 | Very high | 96.2 | Very high | 128 Ų | 128 | 58.8 Ų | 58.8 | 56% | 0.557 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -35.7 | -175.8 | -176.4 | 179.3 | 176.2 | -178 | 0 | 113.9 | Y40 T41 K47 | Y40-K45 HydrophobicContact CD2-CD 4.44Å; Y40-K45 HydrophobicContact CD2-CG 3.97Å; Y40-K45 HydrophobicContact CG-CB 4.12Å; Y40-K45 HydrophobicContact CG-CG 4.02Å; T41-K45 PolarHBondContact O-N 3.41Å; K45-K47 VanDerWaalsContact C-N 3.29Å; K45-K47 PolarHBondContact O-N 2.84Å |
| 46 | D | 93.3 | Very high | 96.2 | Very high | 125 Ų | 125 | 62.4 Ų | 62.4 | 67% | 0.668 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -10 | -177.9 | -66.6 | -28.8 | 0 | 0 | 0 | 113.7 | L44 | L44-D46 VanDerWaalsContact C-N 3.27Å; L44-D46 PolarHBondContact O-N 3.23Å |
| 47 | K | 95.3 | Very high | 96.1 | Very high | 26 Ų | 26 | 61.3 Ų | 61.3 | 11% | 0.113 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -34.1 | -176.4 | -60.2 | -173.8 | 176.7 | -167.3 | 0 | 112.6 | L44 K45 S64 E69 D70 | L44-K47 PolarHBondContact O-N 2.84Å; K45-K47 VanDerWaalsContact C-N 3.29Å; K45-K47 PolarHBondContact O-N 2.84Å; K47-S64 PolarHBondContact O-N 3.21Å; K47-E69 IonicContact NZ-OE1 2.73Å; K47-E69 PolarHBondContact NZ-OE1 2.89Å; K47-D70 WeakPolarHBondContact CD-OD2 3.24Å; K47-D70 VanDerWaalsContact NZ-CG 3.25Å; K47-D70 IonicContact NZ-OD1 2.74Å; K47-D70 PolarHBondContact NZ-OD1 3.23Å; K47-D70 IonicContact NZ-OD2 2.75Å; K47-D70 PolarHBondContact NZ-OD2 3.15Å |
| 48 | F | 96 | Very high | 96.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.6 | -171.4 | -54.5 | -63.7 | 0 | 0 | 0 | 112.3 | I28 Y40 L44 L61 Q62 M63 V66 D70 Y74 | I28-F48 HydrophobicContact CG2-CB 4.08Å; I28-F48 HydrophobicContact CG2-CD2 3.7Å; I28-F48 HydrophobicContact CG2-CE2 4.49Å; I28-F48 HydrophobicContact CG2-CG 4.08Å; Y40-F48 WeakPolarHBondContact CE1-O 3.38Å; L44-F48 HydrophobicContact CB-CD2 3.91Å; L44-F48 HydrophobicContact CB-CE2 4.11Å; L44-F48 HydrophobicContact CD1-CE2 4.43Å; L44-F48 HydrophobicContact CD2-CE2 4.23Å; L44-F48 HydrophobicContact CG-CE2 4.49Å; L44-F48 WeakPolarHBondContact O-CD2 3.48Å; L44-F48 PolarHBondContact O-N 2.9Å; F48-L61 HydrophobicContact CB-CD1 3.79Å; F48-L61 HydrophobicContact CB-CG 4.49Å; F48-L61 HydrophobicContact CD1-CD1 4.46Å; F48-L61 HydrophobicContact CD1-CD2 4.35Å; F48-L61 HydrophobicContact CD1-CG 4.31Å; F48-L61 HydrophobicContact CG-CD1 4.3Å; F48-Q62 CarbonylContact C-O 3.56Å; F48-Q62 WeakPolarHBondContact CA-O 3.33Å; F48-M63 HydrophobicContact CD1-CB 4.38Å; F48-M63 HydrophobicContact CD1-CE 4.35Å; F48-M63 HydrophobicContact CD1-CG 3.76Å; F48-M63 HydrophobicContact CE1-CB 4.42Å; F48-M63 HydrophobicContact CE1-CE 3.76Å; F48-M63 HydrophobicContact CE1-CG 3.79Å; F48-M63 HydrophobicContact CE1-SD 4.47Å; F48-V66 HydrophobicContact CE1-CG1 3.72Å; F48-V66 HydrophobicContact CZ-CG1 4.25Å; F48-D70 HydrophobicContact CZ-CB 4.44Å; F48-Y74 HydrophobicContact CE1-CE1 4.13Å; F48-Y74 HydrophobicContact CZ-CE1 4.14Å; F48-Y74 WeakPolarHBondContact CZ-OH 3.46Å |
| 49 | I | 96.5 | Very high | 96.1 | Very high | 81 Ų | 81 | 56.3 Ų | 56.3 | 42% | 0.415 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 119.8 | 172.9 | -57.8 | 169.7 | 0 | 0 | 0 | 107.6 | Q62 | I49-Q62 HydrophobicContact CB-CB 4.22Å; I49-Q62 PolarHBondContact N-O 3.03Å; I49-Q62 PolarHBondContact O-N 3.12Å |
| 50 | I | 97.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 135 | 175.3 | -58.3 | 173.3 | 0 | 0 | 0 | 108.7 | I31 I38 Y40 L59 L61 | I31-I50 HydrophobicContact CB-CG2 3.85Å; I31-I50 HydrophobicContact CD1-CG2 4.5Å; I31-I50 HydrophobicContact CG2-CG2 3.62Å; I38-I50 HydrophobicContact CG2-CB 4.18Å; I38-I50 HydrophobicContact CG2-CD1 4.48Å; Y40-I50 HydrophobicContact CD1-CD1 4.36Å; Y40-I50 HydrophobicContact CE1-CD1 3.85Å; Y40-I50 HydrophobicContact CE1-CG1 3.84Å; Y40-I50 PolarHBondContact OH-N 2.61Å; I50-L59 HydrophobicContact CG2-CD1 4.05Å; I50-L61 HydrophobicContact CG1-CD1 3.74Å |
| 51 | S | 97.9 | Very high | 96.2 | Very high | 51 Ų | 51 | 55.8 Ų | 55.8 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 166.6 | 171.5 | 62.4 | 0 | 0 | 0 | 0 | 110.4 | Y60 | S51-Y60 PolarHBondContact N-O 2.8Å; S51-Y60 VanDerWaalsContact N-O 3.17Å; S51-Y60 PolarHBondContact O-N 2.93Å; S51-Y60 WeakPolarHBondContact OG-CB 3.47Å |
| 52 | R | 97.8 | Very high | 96.2 | Very high | 25 Ų | 25 | 59.8 Ų | 59.8 | 9% | 0.094 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 153.6 | -177.1 | 63.8 | -176.6 | -66.2 | 158.3 | 3.1 | 111.5 | F9 Y12 I31 N32 P33 S35 N54 T58 L59 | F9-R52 VanDerWaalsContact CD1-NH2 3.32Å; F9-R52 HydrophobicContact CE1-CB 4.18Å; F9-R52 VanDerWaalsContact CE1-NH2 3.27Å; F9-R52 HydrophobicContact CZ-CB 4.13Å; F9-R52 PolarHBondContact O-NH2 2.92Å; Y12-R52 PolarHBondContact O-NH1 3.21Å; I31-R52 HydrophobicContact CD1-CG 3.99Å; I31-R52 HydrophobicContact CG1-CG 4.43Å; I31-R52 HydrophobicContact CG2-CB 4.47Å; N32-R52 VanDerWaalsContact O-CD 3.32Å; N32-R52 WeakPolarHBondContact O-CD 3.4Å; N32-R52 PolarHBondContact O-NH1 2.91Å; N32-R52 VanDerWaalsContact O-NH1 3.11Å; P33-R52 VanDerWaalsContact CA-NH1 3.3Å; S35-R52 WeakPolarHBondContact OG-CD 3.46Å; S35-R52 VanDerWaalsContact OG-CG 3.25Å; S35-R52 WeakPolarHBondContact OG-CG 3.44Å; R52-N54 PolarHBondContact NE-OD1 3.24Å; R52-N54 PolarHBondContact NH2-OD1 3.28Å; R52-T58 CarbonylContact C-O 3.41Å; R52-T58 WeakPolarHBondContact CA-O 3.23Å; R52-L59 HydrophobicContact CB-CD1 4.18Å |
| 53 | D | 97.8 | Very high | 96.2 | Very high | 39 Ų | 39 | 57 Ų | 57 | 21% | 0.209 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 107.6 | 171.3 | -176.3 | -24.8 | 0 | 0 | 0 | 108.3 | A55 K56 N57 T58 Y60 | D53-A55 WeakPolarHBondContact OD1-CB 3.36Å; D53-A55 PolarHBondContact OD1-N 3.13Å; D53-K56 HydrophobicContact CB-CB 4.19Å; D53-K56 PolarHBondContact O-N 2.83Å; D53-K56 PolarHBondContact OD1-N 3.16Å; D53-K56 VanDerWaalsContact OD1-N 3.08Å; D53-K56 WeakPolarHBondContact OD2-CD 3.48Å; D53-K56 WeakPolarHBondContact OD2-CG 3.48Å; D53-K56 IonicContact OD2-NZ 3.74Å; D53-K56 PolarHBondContact OD2-NZ 2.77Å; D53-N57 PolarHBondContact O-N 2.82Å; D53-T58 PolarHBondContact N-O 3.11Å; D53-T58 PolarHBondContact O-N 3.19Å; D53-Y60 HydrophobicContact CB-CE2 3.88Å |
| 54 | N | 96.9 | Very high | 96.1 | Very high | 57 Ų | 57 | 56.3 Ų | 56.3 | 31% | 0.305 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -29.7 | -178.2 | -70.8 | -17.1 | 0 | 0 | 0 | 112.5 | F9 P33 R52 K56 N57 | F9-N54 WeakPolarHBondContact CE1-OD1 3.3Å; P33-N54 PolarHBondContact O-ND2 2.82Å; R52-N54 PolarHBondContact NE-OD1 3.24Å; R52-N54 PolarHBondContact NH2-OD1 3.28Å; N54-K56 VanDerWaalsContact C-N 3.26Å; N54-K56 PolarHBondContact O-N 3.17Å; N54-N57 PolarHBondContact O-N 2.89Å; N54-N57 PolarHBondContact O-OD1 2.93Å |
| 55 | A | 96.2 | Very high | 95.9 | Very high | 100 Ų | 100 | 62.9 Ų | 62.9 | 83% | 0.826 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -29.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D53 | D53-A55 WeakPolarHBondContact OD1-CB 3.36Å; D53-A55 PolarHBondContact OD1-N 3.13Å |
| 56 | K | 97.1 | Very high | 96 | Very high | 129 Ų | 129 | 59 Ų | 59 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 1.7 | 176.2 | -60.6 | -166.8 | -170.3 | 91.3 | 0 | 114.3 | D53 N54 T58 | D53-K56 HydrophobicContact CB-CB 4.19Å; D53-K56 PolarHBondContact O-N 2.83Å; D53-K56 PolarHBondContact OD1-N 3.16Å; D53-K56 VanDerWaalsContact OD1-N 3.08Å; D53-K56 WeakPolarHBondContact OD2-CD 3.48Å; D53-K56 WeakPolarHBondContact OD2-CG 3.48Å; D53-K56 IonicContact OD2-NZ 3.74Å; D53-K56 PolarHBondContact OD2-NZ 2.77Å; N54-K56 VanDerWaalsContact C-N 3.26Å; N54-K56 PolarHBondContact O-N 3.17Å; K56-T58 PolarHBondContact O-N 2.78Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-T58 PolarHBondContact O-OG1 2.99Å |
| 57 | N | 96.1 | Very high | 96 | Very high | 61 Ų | 61 | 60.6 Ų | 60.6 | 33% | 0.326 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 40.2 | -171.1 | -62.2 | -35.8 | 0 | 0 | 0 | 113 | A4 F9 D53 N54 | A4-N57 PolarHBondContact N-O 3.34Å; F9-N57 HydrophobicContact CB-CB 3.93Å; F9-N57 HydrophobicContact CD1-CB 4.39Å; F9-N57 HydrophobicContact CG-CB 4.17Å; D53-N57 PolarHBondContact O-N 2.82Å; N54-N57 PolarHBondContact O-N 2.89Å; N54-N57 PolarHBondContact O-OD1 2.93Å |
| 58 | T | 97.6 | Very high | 96 | Very high | 13 Ų | 13 | 62.8 Ų | 62.8 | 8% | 0.08 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.5 | -169.7 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | C2 R52 D53 K56 Y60 | C2-T58 CarbonylContact O-C 3.59Å; C2-T58 WeakPolarHBondContact O-CA 3.37Å; R52-T58 CarbonylContact C-O 3.41Å; R52-T58 WeakPolarHBondContact CA-O 3.23Å; D53-T58 PolarHBondContact N-O 3.11Å; D53-T58 PolarHBondContact O-N 3.19Å; K56-T58 PolarHBondContact O-N 2.78Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-T58 PolarHBondContact O-OG1 2.99Å; T58-Y60 HydrophobicContact CG2-CD1 4.35Å; T58-Y60 HydrophobicContact CG2-CD2 4.23Å; T58-Y60 HydrophobicContact CG2-CE1 3.75Å; T58-Y60 HydrophobicContact CG2-CE2 3.62Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.38Å |
| 59 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 140.7 | 170.7 | -169.9 | 70.9 | 0 | 0 | 0 | 110.3 | S1 C2 F9 M14 W16 I31 I50 R52 C76 | S1-L59 CarbonylContact C-O 3.59Å; S1-L59 VanDerWaalsContact CA-O 3.23Å; S1-L59 WeakPolarHBondContact CA-O 3.33Å; C2-L59 PolarHBondContact N-O 3.44Å; C2-L59 PolarHBondContact O-N 2.95Å; F9-L59 HydrophobicContact CE2-CB 4.22Å; F9-L59 HydrophobicContact CZ-CB 4.15Å; M14-L59 HydrophobicContact CB-CD1 3.75Å; M14-L59 HydrophobicContact CB-CD2 3.91Å; M14-L59 HydrophobicContact CB-CG 4.35Å; W16-L59 HydrophobicContact CD2-CD2 4.29Å; W16-L59 HydrophobicContact CG-CD2 4.26Å; W16-L59 HydrophobicContact CZ2-CD2 4.19Å; W16-L59 HydrophobicContact CZ2-CG 4.29Å; W16-L59 VanDerWaalsContact NE1-CG 3.33Å; I31-L59 HydrophobicContact CG2-CD1 3.52Å; I50-L59 HydrophobicContact CG2-CD1 4.05Å; R52-L59 HydrophobicContact CB-CD1 4.18Å; L59-C76 HydrophobicContact CD2-CB 4.11Å |
| 60 | Y | 98.3 | Very high | 95.7 | Very high | 75 Ų | 75 | 64.2 Ų | 64.2 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 146.7 | 180 | -60 | -87.3 | 0 | 0 | 0 | 110.8 | W16 S51 D53 T58 | W16-Y60 PolarHBondContact NE1-O 3.04Å; W16-Y60 VanDerWaalsContact NE1-O 3.16Å; S51-Y60 PolarHBondContact N-O 2.8Å; S51-Y60 VanDerWaalsContact N-O 3.17Å; S51-Y60 PolarHBondContact O-N 2.93Å; S51-Y60 WeakPolarHBondContact OG-CB 3.47Å; D53-Y60 HydrophobicContact CB-CE2 3.88Å; T58-Y60 HydrophobicContact CG2-CD1 4.35Å; T58-Y60 HydrophobicContact CG2-CD2 4.23Å; T58-Y60 HydrophobicContact CG2-CE1 3.75Å; T58-Y60 HydrophobicContact CG2-CE2 3.62Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.38Å |
| 61 | L | 97.9 | Very high | 95.7 | Very high | 26 Ų | 26 | 65.7 Ų | 65.7 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 105.9 | 169.9 | -170.8 | 67.9 | 0 | 0 | 0 | 106.5 | W16 I28 F48 I50 M63 Y74 | W16-L61 HydrophobicContact CB-CD1 4.27Å; W16-L61 HydrophobicContact CB-CD2 4.38Å; W16-L61 HydrophobicContact CD2-CB 3.87Å; W16-L61 HydrophobicContact CD2-CD1 4.47Å; W16-L61 HydrophobicContact CD2-CD2 3.97Å; W16-L61 HydrophobicContact CD2-CG 4.34Å; W16-L61 HydrophobicContact CE3-CB 4.46Å; W16-L61 HydrophobicContact CE3-CD2 4.11Å; W16-L61 HydrophobicContact CG-CB 4.17Å; W16-L61 HydrophobicContact CG-CD1 3.93Å; W16-L61 HydrophobicContact CG-CD2 4.08Å; W16-L61 HydrophobicContact CG-CG 4.31Å; W16-L61 HydrophobicContact CZ2-CB 3.95Å; I28-L61 HydrophobicContact CD1-CD2 3.94Å; I28-L61 HydrophobicContact CG2-CD1 4.34Å; F48-L61 HydrophobicContact CB-CD1 3.79Å; F48-L61 HydrophobicContact CB-CG 4.49Å; F48-L61 HydrophobicContact CD1-CD1 4.46Å; F48-L61 HydrophobicContact CD1-CD2 4.35Å; F48-L61 HydrophobicContact CD1-CG 4.31Å; F48-L61 HydrophobicContact CG-CD1 4.3Å; I50-L61 HydrophobicContact CG1-CD1 3.74Å; L61-M63 HydrophobicContact CD2-CE 4.11Å; L61-Y74 HydrophobicContact CD2-CD1 3.63Å; L61-Y74 HydrophobicContact CD2-CE1 3.98Å |
| 62 | Q | 97.4 | Very high | 95.7 | Very high | 114 Ų | 114 | 63.5 Ų | 63.5 | 53% | 0.533 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 132 | 172.4 | 176.8 | 178 | -16.2 | 0 | 0 | 108.9 | F48 I49 | F48-Q62 CarbonylContact C-O 3.56Å; F48-Q62 WeakPolarHBondContact CA-O 3.33Å; I49-Q62 HydrophobicContact CB-CB 4.22Å; I49-Q62 PolarHBondContact N-O 3.03Å; I49-Q62 PolarHBondContact O-N 3.12Å |
| 63 | M | 95.1 | Very high | 95.7 | Very high | 59 Ų | 59 | 65.4 Ų | 65.4 | 29% | 0.291 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 116.8 | -176.7 | -64.7 | 177.9 | 146.9 | 0 | 0 | 108.6 | F48 L61 V66 Y74 V90 | F48-M63 HydrophobicContact CD1-CB 4.38Å; F48-M63 HydrophobicContact CD1-CE 4.35Å; F48-M63 HydrophobicContact CD1-CG 3.76Å; F48-M63 HydrophobicContact CE1-CB 4.42Å; F48-M63 HydrophobicContact CE1-CE 3.76Å; F48-M63 HydrophobicContact CE1-CG 3.79Å; F48-M63 HydrophobicContact CE1-SD 4.47Å; L61-M63 HydrophobicContact CD2-CE 4.11Å; M63-V66 HydrophobicContact CB-CG1 3.77Å; M63-V66 HydrophobicContact CG-CG1 4.27Å; M63-Y74 HydrophobicContact CE-CD1 3.6Å; M63-Y74 HydrophobicContact CE-CD2 3.91Å; M63-Y74 HydrophobicContact CE-CE1 3.16Å; M63-Y74 HydrophobicContact CE-CE2 3.54Å; M63-Y74 HydrophobicContact CE-CG 3.94Å; M63-Y74 WeakPolarHBondContact CE-OH 3.35Å; M63-V90 HydrophobicContact CE-CG1 4.43Å; M63-V90 HydrophobicContact CE-CG2 4.32Å; M63-V90 HydrophobicContact SD-CG1 4.18Å |
| 64 | S | 90.3 | Very high | 95.7 | Very high | 67 Ų | 67 | 63.9 Ų | 63.9 | 47% | 0.469 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -117.3 | -45.9 | -171.5 | -55.4 | 0 | 0 | 0 | 0 | 113.6 | K47 | K47-S64 PolarHBondContact O-N 3.21Š|
| 65 | K | 89.5 | Confident | 95.7 | Very high | 142 Ų | 142 | 62.9 Ų | 62.9 | 62% | 0.617 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -115.4 | 40.7 | -175.4 | -61 | -178.2 | -174.3 | 169.7 | 0 | 111.7 | ||
| 66 | V | 93.4 | Very high | 95.7 | Very high | 46 Ų | 46 | 58.7 Ų | 58.7 | 28% | 0.279 | 29% | 0.288 | S | S | . | . | trans | -73.1 | 147.9 | -178.2 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | F48 M63 D70 V92 | F48-V66 HydrophobicContact CE1-CG1 3.72Å; F48-V66 HydrophobicContact CZ-CG1 4.25Å; M63-V66 HydrophobicContact CB-CG1 3.77Å; M63-V66 HydrophobicContact CG-CG1 4.27Å; V66-D70 WeakPolarHBondContact CA-OD2 3.06Å; V66-D70 HydrophobicContact CB-CB 4.26Å; V66-D70 HydrophobicContact CG1-CB 4.31Å; V66-V92 HydrophobicContact CB-CG2 4.25Å; V66-V92 HydrophobicContact CG2-CG1 4.28Å; V66-V92 HydrophobicContact CG2-CG2 4.1Å | ||
| 67 | R | 94.1 | Very high | 95.5 | Very high | 160 Ų | 160 | 53.9 Ų | 53.9 | 60% | 0.604 | 27% | 0.266 | S | S | * | . | trans | -127.1 | 172.8 | 177 | -63.9 | 177.2 | -178.2 | -176.5 | -1.7 | 109.5 | E69 D70 V92 | R67-E69 HydrophobicContact CB-CG 3.97Å; R67-E69 PolarHBondContact O-N 2.85Å; R67-E69 VanDerWaalsContact O-N 3.13Å; R67-D70 PolarHBondContact N-OD2 3.34Å; R67-D70 WeakPolarHBondContact O-CB 3.1Å; R67-D70 PolarHBondContact O-N 2.98Å; R67-V92 WeakPolarHBondContact O-CB 3.25Å | ||
| 68 | S | 94.1 | Very high | 95 | Very high | 72 Ų | 72 | 51.4 Ų | 51.4 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -54.3 | -34 | 178.6 | 54 | 0 | 0 | 0 | 0 | 113.4 | D70 T71 V92 | S68-D70 PolarHBondContact O-N 3.04Å; S68-T71 VanDerWaalsContact O-CB 3.3Å; S68-T71 WeakPolarHBondContact O-CB 3.23Å; S68-T71 PolarHBondContact O-N 2.72Å; S68-T71 VanDerWaalsContact O-N 3.09Å; S68-T71 PolarHBondContact O-OG1 3.14Å; S68-V92 WeakPolarHBondContact CA-O 3.24Å |
| 69 | E | 92.4 | Very high | 93.9 | Very high | 111 Ų | 111 | 59.3 Ų | 59.3 | 52% | 0.519 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -62.7 | -17.4 | 174.5 | 71.4 | -158.8 | -160.3 | 0 | 0 | 114.6 | K47 R67 T71 | K47-E69 IonicContact NZ-OE1 2.73Å; K47-E69 PolarHBondContact NZ-OE1 2.89Å; R67-E69 HydrophobicContact CB-CG 3.97Å; R67-E69 PolarHBondContact O-N 2.85Å; R67-E69 VanDerWaalsContact O-N 3.13Å; E69-T71 VanDerWaalsContact C-N 3.3Å |
| 70 | D | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -89.1 | 3.5 | 176.9 | -57.7 | -57.9 | 0 | 0 | 0 | 112.1 | R18 K47 F48 V66 R67 S68 A72 Y74 | R18-D70 IonicContact CZ-OD1 2.9Å; R18-D70 IonicContact NH1-OD1 3.91Å; R18-D70 PolarHBondContact NH1-OD1 3.09Å; R18-D70 IonicContact NH2-OD1 2.83Å; K47-D70 WeakPolarHBondContact CD-OD2 3.24Å; K47-D70 VanDerWaalsContact NZ-CG 3.25Å; K47-D70 IonicContact NZ-OD1 2.74Å; K47-D70 PolarHBondContact NZ-OD1 3.23Å; K47-D70 IonicContact NZ-OD2 2.75Å; K47-D70 PolarHBondContact NZ-OD2 3.15Å; F48-D70 HydrophobicContact CZ-CB 4.44Å; V66-D70 WeakPolarHBondContact CA-OD2 3.06Å; V66-D70 HydrophobicContact CB-CB 4.26Å; V66-D70 HydrophobicContact CG1-CB 4.31Å; R67-D70 PolarHBondContact N-OD2 3.34Å; R67-D70 WeakPolarHBondContact O-CB 3.1Å; R67-D70 PolarHBondContact O-N 2.98Å; S68-D70 PolarHBondContact O-N 3.04Å; D70-A72 PolarHBondContact O-N 2.8Å; D70-Y74 PolarHBondContact O-OH 3.37Å |
| 71 | T | 96.9 | Very high | 91.4 | Very high | 33 Ų | 33 | 63.9 Ų | 63.9 | 20% | 0.202 | 32% | 0.32 | C | S | . | . | trans | -61.2 | 116.6 | 170.6 | -66.5 | 0 | 0 | 0 | 0 | 110.4 | P21 S68 E69 V90 T91 V92 | P21-T71 WeakPolarHBondContact CD-O 3.35Å; S68-T71 VanDerWaalsContact O-CB 3.3Å; S68-T71 WeakPolarHBondContact O-CB 3.23Å; S68-T71 PolarHBondContact O-N 2.72Å; S68-T71 VanDerWaalsContact O-N 3.09Å; S68-T71 PolarHBondContact O-OG1 3.14Å; E69-T71 VanDerWaalsContact C-N 3.3Å; T71-V90 WeakPolarHBondContact CA-O 3.45Å; T71-T91 HydrophobicContact CG2-CG2 4.25Å; T71-V92 PolarHBondContact OG1-N 2.74Å; T71-V92 PolarHBondContact OG1-O 2.8Å | ||
| 72 | A | 97.4 | Very high | 90.6 | Very high | 4 Ų | 4 | 67.6 Ų | 67.6 | 3% | 0.033 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 167.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R18 Q19 A20 D70 Y74 V90 | R18-A72 HydrophobicContact CB-CB 4.02Å; Q19-A72 WeakPolarHBondContact O-CA 3.32Å; Q19-A72 VanDerWaalsContact O-CB 3.3Å; Q19-A72 WeakPolarHBondContact O-CB 3.49Å; A20-A72 HydrophobicContact CB-CB 4.37Å; D70-A72 PolarHBondContact O-N 2.8Å; A72-Y74 HydrophobicContact CB-CD2 4.23Å; A72-Y74 HydrophobicContact CB-CE2 3.71Å; A72-Y74 WeakPolarHBondContact O-CD2 3.21Å; A72-V90 PolarHBondContact N-O 3.16Å; A72-V90 VanDerWaalsContact N-O 3.1Å; A72-V90 PolarHBondContact O-N 3.08Å |
| 73 | L | 97.9 | Very high | 90.1 | Very high | 66 Ų | 66 | 68.9 Ų | 68.9 | 35% | 0.346 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 134.5 | 158.5 | -73.5 | 161.7 | 0 | 0 | 0 | 109.1 | R18 Q19 Y75 T88 | R18-L73 CarbonylContact C-O 3.4Å; R18-L73 WeakPolarHBondContact CA-O 3.32Å; R18-L73 WeakPolarHBondContact CB-O 2.97Å; Q19-L73 HydrophobicContact CB-CB 4.49Å; Q19-L73 PolarHBondContact N-O 2.8Å; Q19-L73 PolarHBondContact O-N 3.11Å; L73-Y75 HydrophobicContact CB-CE2 3.56Å; L73-Y75 WeakPolarHBondContact CB-OH 3.38Å; L73-Y75 VanDerWaalsContact CD1-OH 3.3Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.45Å; L73-T88 CarbonylContact C-O 3.48Å; L73-T88 WeakPolarHBondContact CA-O 3.28Å |
| 74 | Y | 98.1 | Very high | 90 | Very high | 7 Ų | 7 | 70.7 Ų | 70.7 | 3% | 0.027 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.1 | -179.1 | -74.3 | -99.1 | 0 | 0 | 0 | 110.7 | R18 I28 F48 L61 M63 D70 A72 G87 T88 V90 | R18-Y74 HydrophobicContact CB-CD1 3.89Å; R18-Y74 HydrophobicContact CB-CE1 3.86Å; R18-Y74 HydrophobicContact CB-CG 4.27Å; R18-Y74 HydrophobicContact CG-CE1 4.49Å; I28-Y74 HydrophobicContact CD1-CD1 3.64Å; I28-Y74 HydrophobicContact CD1-CE1 3.51Å; F48-Y74 HydrophobicContact CE1-CE1 4.13Å; F48-Y74 HydrophobicContact CZ-CE1 4.14Å; F48-Y74 WeakPolarHBondContact CZ-OH 3.46Å; L61-Y74 HydrophobicContact CD2-CD1 3.63Å; L61-Y74 HydrophobicContact CD2-CE1 3.98Å; M63-Y74 HydrophobicContact CE-CD1 3.6Å; M63-Y74 HydrophobicContact CE-CD2 3.91Å; M63-Y74 HydrophobicContact CE-CE1 3.16Å; M63-Y74 HydrophobicContact CE-CE2 3.54Å; M63-Y74 HydrophobicContact CE-CG 3.94Å; M63-Y74 WeakPolarHBondContact CE-OH 3.35Å; D70-Y74 PolarHBondContact O-OH 3.37Å; A72-Y74 HydrophobicContact CB-CD2 4.23Å; A72-Y74 HydrophobicContact CB-CE2 3.71Å; A72-Y74 WeakPolarHBondContact O-CD2 3.21Å; Y74-G87 CarbonylContact O-C 3.55Å; Y74-G87 VanDerWaalsContact O-CA 3.23Å; Y74-G87 WeakPolarHBondContact O-CA 3.21Å; Y74-T88 PolarHBondContact N-O 3.01Å; Y74-T88 PolarHBondContact O-N 2.95Å; Y74-V90 HydrophobicContact CD2-CB 3.88Å; Y74-V90 HydrophobicContact CD2-CG2 3.76Å; Y74-V90 HydrophobicContact CE2-CB 3.84Å; Y74-V90 HydrophobicContact CE2-CG2 4.17Å |
| 75 | Y | 97.5 | Very high | 90.1 | Very high | 36 Ų | 36 | 68.6 Ų | 68.6 | 14% | 0.141 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.9 | -174.6 | -53.6 | -91.5 | 0 | 0 | 0 | 110.2 | W16 V17 Q19 L25 L73 W84 G87 | W16-Y75 WeakPolarHBondContact CA-O 3.35Å; V17-Y75 PolarHBondContact N-O 3.08Å; V17-Y75 PolarHBondContact O-N 3.13Å; Q19-Y75 HydrophobicContact CB-CE2 4.09Å; L25-Y75 HydrophobicContact CD2-CD2 4.47Å; L25-Y75 HydrophobicContact CD2-CE2 4.36Å; L73-Y75 HydrophobicContact CB-CE2 3.56Å; L73-Y75 WeakPolarHBondContact CB-OH 3.38Å; L73-Y75 VanDerWaalsContact CD1-OH 3.3Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.45Å; Y75-W84 HydrophobicContact CG-CE3 4.21Å; Y75-W84 HydrophobicContact CG-CZ3 4.39Å; Y75-G87 VanDerWaalsContact CE1-CA 3.49Å |
| 76 | C | 95.6 | Very high | 90.3 | Very high | 12 Ų | 12 | 70.9 Ų | 70.9 | 8% | 0.081 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 146.1 | 158.6 | 53.6 | 0 | 0 | 0 | 0 | 109.1 | C2 S15 W16 L59 G85 | C2-C76 HydrophobicContact CB-CB 3.37Å; C2-C76 WeakPolarHBondContact CB-SG 3.4Å; C2-C76 WeakPolarHBondContact SG-CB 3.36Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 3.18Å; S15-C76 CarbonylContact O-C 3.59Å; S15-C76 WeakPolarHBondContact O-CA 3.1Å; W16-C76 HydrophobicContact CE3-CB 4.44Å; W16-C76 HydrophobicContact CH2-CB 4.2Å; W16-C76 HydrophobicContact CZ2-CB 4.4Å; W16-C76 HydrophobicContact CZ3-CB 4.23Å; L59-C76 HydrophobicContact CD2-CB 4.11Å; C76-G85 PolarHBondContact O-N 3Å |
| 77 | Y | 92.8 | Very high | 90.4 | Very high | 28 Ų | 28 | 69.8 Ų | 69.8 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 140.9 | -174.7 | 175 | -119.6 | 0 | 0 | 0 | 111 | S15 Y79 D82 Y83 W84 | S15-Y77 PolarHBondContact N-O 3.08Å; S15-Y77 PolarHBondContact O-N 3.29Å; Y77-Y79 AromaticContact CE1-CD2 3.78Å; Y77-Y79 HydrophobicContact CE1-CD2 3.78Å; Y77-Y79 HydrophobicContact CE1-CG 4.24Å; Y77-Y79 VanDerWaalsContact CZ-CA 3.48Å; Y77-Y79 AromaticContact CZ-CD2 3.99Å; Y77-Y79 WeakPolarHBondContact OH-CD2 3.25Å; Y77-D82 VanDerWaalsContact CE2-OD1 3.31Å; Y77-D82 WeakPolarHBondContact CE2-OD1 3.38Å; Y77-D82 PolarHBondContact OH-OD1 3.03Å; Y77-Y83 WeakPolarHBondContact CA-O 3.45Å; Y77-Y83 VanDerWaalsContact CD2-O 3.3Å; Y77-Y83 WeakPolarHBondContact CD2-O 3.02Å; Y77-W84 AromaticContact CD2-CD1 3.89Å; Y77-W84 AromaticContact CD2-CD2 3.6Å; Y77-W84 HydrophobicContact CD2-CD2 3.6Å; Y77-W84 AromaticContact CD2-CE2 3.3Å; Y77-W84 HydrophobicContact CD2-CE3 4.16Å; Y77-W84 AromaticContact CD2-CG 3.96Å; Y77-W84 HydrophobicContact CD2-CG 3.96Å; Y77-W84 HydrophobicContact CD2-CH2 4.2Å; Y77-W84 AromaticContact CD2-CZ2 3.63Å; Y77-W84 HydrophobicContact CD2-CZ2 3.63Å; Y77-W84 HydrophobicContact CD2-CZ3 4.45Å; Y77-W84 AromaticContact CD2-NE1 3.49Å; Y77-W84 AromaticContact CE2-CD1 3.89Å; Y77-W84 HydrophobicContact CE2-CD2 4.14Å; Y77-W84 AromaticContact CE2-CE2 3.4Å; Y77-W84 VanDerWaalsContact CE2-CE2 3.4Å; Y77-W84 HydrophobicContact CE2-CG 4.41Å; Y77-W84 AromaticContact CE2-CZ2 3.68Å; Y77-W84 HydrophobicContact CE2-CZ2 3.68Å; Y77-W84 AromaticContact CE2-NE1 3.23Å; Y77-W84 HydrophobicContact CG-CD2 4.35Å; Y77-W84 HydrophobicContact CG-CE3 4.5Å; Y77-W84 HydrophobicContact CG-CH2 4.24Å; Y77-W84 HydrophobicContact CG-CZ2 4.08Å; Y77-W84 HydrophobicContact CG-CZ3 4.46Å |
| 78 | Y | 86.6 | Confident | 90.5 | Very high | 9 Ų | 9 | 66.5 Ų | 66.5 | 4% | 0.035 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 107.8 | 172.2 | 166.2 | -135.5 | 0 | 0 | 0 | 109.5 | F7 Y12 M14 A80 M81 D82 Y83 | F7-Y78 HydrophobicContact CD2-CD1 4.48Å; F7-Y78 HydrophobicContact CD2-CE1 4.35Å; F7-Y78 HydrophobicContact CE2-CD1 4.18Å; F7-Y78 HydrophobicContact CE2-CE1 4.45Å; F7-Y78 HydrophobicContact CE2-CG 4.46Å; F7-Y78 HydrophobicContact CZ-CD1 4.23Å; Y12-Y78 VanDerWaalsContact CB-CE2 3.45Å; Y12-Y78 AromaticContact CD1-CE2 3.62Å; Y12-Y78 HydrophobicContact CD1-CE2 3.62Å; Y12-Y78 AromaticContact CD1-CZ 3.69Å; Y12-Y78 WeakPolarHBondContact CD1-OH 3.47Å; Y12-Y78 HydrophobicContact CD2-CE2 4.19Å; Y12-Y78 AromaticContact CD2-CZ 3.93Å; Y12-Y78 HydrophobicContact CE1-CE2 4.43Å; Y12-Y78 WeakPolarHBondContact CE1-OH 3.32Å; Y12-Y78 HydrophobicContact CG-CD2 4.39Å; Y12-Y78 AromaticContact CG-CE2 3.47Å; Y12-Y78 HydrophobicContact CG-CE2 3.47Å; Y12-Y78 VanDerWaalsContact CG-CE2 3.47Å; Y12-Y78 AromaticContact CG-CZ 3.6Å; M14-Y78 HydrophobicContact SD-CD2 4.37Å; M14-Y78 HydrophobicContact SD-CG 4.37Å; Y78-A80 HydrophobicContact CD2-CB 4.5Å; Y78-A80 HydrophobicContact CE2-CB 3.57Å; Y78-A80 PolarHBondContact O-N 3.4Å; Y78-M81 HydrophobicContact CD1-CB 3.71Å; Y78-M81 HydrophobicContact CD1-CG 4.18Å; Y78-M81 HydrophobicContact CE1-CB 3.36Å; Y78-M81 HydrophobicContact CE1-CG 3.31Å; Y78-M81 HydrophobicContact CE1-SD 3.62Å; Y78-D82 PolarHBondContact O-N 2.71Å; Y78-D82 VanDerWaalsContact O-N 3.16Å; Y78-Y83 HydrophobicContact CD1-CD2 4.13Å; Y78-Y83 PolarHBondContact N-O 2.96Å; Y78-Y83 PolarHBondContact O-N 3.17Å |
| 79 | Y | 74 | Confident | 90.6 | Very high | 179 Ų | 179 | 67 Ų | 67 | 70% | 0.702 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -62.1 | -42 | -170.6 | -178.6 | -98.6 | 0 | 0 | 0 | 114 | Y77 M81 D82 | Y77-Y79 AromaticContact CE1-CD2 3.78Å; Y77-Y79 HydrophobicContact CE1-CD2 3.78Å; Y77-Y79 HydrophobicContact CE1-CG 4.24Å; Y77-Y79 VanDerWaalsContact CZ-CA 3.48Å; Y77-Y79 AromaticContact CZ-CD2 3.99Å; Y77-Y79 WeakPolarHBondContact OH-CD2 3.25Å; Y79-M81 PolarHBondContact O-N 3.45Å; Y79-D82 PolarHBondContact O-N 2.63Å |
| 80 | A | 73.4 | Confident | 90.8 | Very high | 72 Ų | 72 | 63.5 Ų | 63.5 | 60% | 0.595 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -73.7 | -12.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y78 | Y78-A80 HydrophobicContact CD2-CB 4.5Å; Y78-A80 HydrophobicContact CE2-CB 3.57Å; Y78-A80 PolarHBondContact O-N 3.4Å |
| 81 | M | 70.7 | Confident | 90.9 | Very high | 99 Ų | 99 | 68.8 Ų | 68.8 | 49% | 0.488 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -125 | 11 | 171.9 | -70.6 | -175.6 | 160.2 | 0 | 0 | 113.1 | Y78 Y79 Y83 | Y78-M81 HydrophobicContact CD1-CB 3.71Å; Y78-M81 HydrophobicContact CD1-CG 4.18Å; Y78-M81 HydrophobicContact CE1-CB 3.36Å; Y78-M81 HydrophobicContact CE1-CG 3.31Å; Y78-M81 HydrophobicContact CE1-SD 3.62Å; Y79-M81 PolarHBondContact O-N 3.45Å; M81-Y83 HydrophobicContact CB-CD2 3.36Å; M81-Y83 HydrophobicContact CB-CE2 3.6Å; M81-Y83 HydrophobicContact CB-CG 4.41Å; M81-Y83 HydrophobicContact CG-CD2 4.33Å; M81-Y83 HydrophobicContact CG-CE2 4.26Å; M81-Y83 PolarHBondContact O-N 2.95Å; M81-Y83 VanDerWaalsContact O-N 3.14Å; M81-Y83 HydrophobicContact SD-CD2 4.1Å; M81-Y83 HydrophobicContact SD-CE2 3.69Å |
| 82 | D | 81.3 | Confident | 90.7 | Very high | 104 Ų | 104 | 68.6 Ų | 68.6 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 36.9 | -176.2 | -157.3 | 22.4 | 0 | 0 | 0 | 113.8 | Y77 Y78 Y79 W84 | Y77-D82 VanDerWaalsContact CE2-OD1 3.31Å; Y77-D82 WeakPolarHBondContact CE2-OD1 3.38Å; Y77-D82 PolarHBondContact OH-OD1 3.03Å; Y78-D82 PolarHBondContact O-N 2.71Å; Y78-D82 VanDerWaalsContact O-N 3.16Å; Y79-D82 PolarHBondContact O-N 2.63Å; D82-W84 PolarHBondContact OD1-NE1 2.6Å |
| 83 | Y | 86.3 | Confident | 90.3 | Very high | 140 Ų | 140 | 73.5 Ų | 73.5 | 55% | 0.549 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 124.8 | 178.4 | -83.5 | -63.7 | 0 | 0 | 0 | 110.7 | Y77 Y78 M81 | Y77-Y83 WeakPolarHBondContact CA-O 3.45Å; Y77-Y83 VanDerWaalsContact CD2-O 3.3Å; Y77-Y83 WeakPolarHBondContact CD2-O 3.02Å; Y78-Y83 HydrophobicContact CD1-CD2 4.13Å; Y78-Y83 PolarHBondContact N-O 2.96Å; Y78-Y83 PolarHBondContact O-N 3.17Å; M81-Y83 HydrophobicContact CB-CD2 3.36Å; M81-Y83 HydrophobicContact CB-CE2 3.6Å; M81-Y83 HydrophobicContact CB-CG 4.41Å; M81-Y83 HydrophobicContact CG-CD2 4.33Å; M81-Y83 HydrophobicContact CG-CE2 4.26Å; M81-Y83 PolarHBondContact O-N 2.95Å; M81-Y83 VanDerWaalsContact O-N 3.14Å; M81-Y83 HydrophobicContact SD-CD2 4.1Å; M81-Y83 HydrophobicContact SD-CE2 3.69Å |
| 84 | W | 92.9 | Very high | 89.2 | Confident | 98 Ų | 98 | 78.7 Ų | 78.7 | 37% | 0.371 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 136.6 | 175.7 | -68.5 | 81.7 | 0 | 0 | 0 | 110.7 | V17 L25 Y75 Y77 D82 | V17-W84 HydrophobicContact CB-CH2 4.17Å; V17-W84 HydrophobicContact CB-CZ3 3.81Å; V17-W84 HydrophobicContact CG1-CH2 4.01Å; V17-W84 HydrophobicContact CG1-CZ3 3.9Å; V17-W84 HydrophobicContact CG2-CH2 3.93Å; V17-W84 HydrophobicContact CG2-CZ3 3.95Å; L25-W84 HydrophobicContact CD1-CH2 3.92Å; L25-W84 HydrophobicContact CD1-CZ2 4.42Å; L25-W84 HydrophobicContact CD1-CZ3 4.45Å; L25-W84 HydrophobicContact CD2-CH2 4.49Å; L25-W84 HydrophobicContact CD2-CZ3 4.32Å; Y75-W84 HydrophobicContact CG-CE3 4.21Å; Y75-W84 HydrophobicContact CG-CZ3 4.39Å; Y77-W84 AromaticContact CD2-CD1 3.89Å; Y77-W84 AromaticContact CD2-CD2 3.6Å; Y77-W84 HydrophobicContact CD2-CD2 3.6Å; Y77-W84 AromaticContact CD2-CE2 3.3Å; Y77-W84 HydrophobicContact CD2-CE3 4.16Å; Y77-W84 AromaticContact CD2-CG 3.96Å; Y77-W84 HydrophobicContact CD2-CG 3.96Å; Y77-W84 HydrophobicContact CD2-CH2 4.2Å; Y77-W84 AromaticContact CD2-CZ2 3.63Å; Y77-W84 HydrophobicContact CD2-CZ2 3.63Å; Y77-W84 HydrophobicContact CD2-CZ3 4.45Å; Y77-W84 AromaticContact CD2-NE1 3.49Å; Y77-W84 AromaticContact CE2-CD1 3.89Å; Y77-W84 HydrophobicContact CE2-CD2 4.14Å; Y77-W84 AromaticContact CE2-CE2 3.4Å; Y77-W84 VanDerWaalsContact CE2-CE2 3.4Å; Y77-W84 HydrophobicContact CE2-CG 4.41Å; Y77-W84 AromaticContact CE2-CZ2 3.68Å; Y77-W84 HydrophobicContact CE2-CZ2 3.68Å; Y77-W84 AromaticContact CE2-NE1 3.23Å; Y77-W84 HydrophobicContact CG-CD2 4.35Å; Y77-W84 HydrophobicContact CG-CE3 4.5Å; Y77-W84 HydrophobicContact CG-CH2 4.24Å; Y77-W84 HydrophobicContact CG-CZ2 4.08Å; Y77-W84 HydrophobicContact CG-CZ3 4.46Å; D82-W84 PolarHBondContact OD1-NE1 2.6Å |
| 85 | G | 92.9 | Very high | 88.7 | Confident | 23 Ų | 23 | 82.3 Ų | 82.3 | 24% | 0.237 | 46% | 0.459 | C | S | . | . | trans | -65.2 | 159.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111 | C76 G87 | C76-G85 PolarHBondContact O-N 3Å; G85-G87 PolarHBondContact O-N 3.36Å | ||
| 86 | Q | 93.1 | Very high | 88.3 | Confident | 190 Ų | 190 | 84.7 Ų | 84.7 | 89% | 0.888 | 48% | 0.476 | S | S | * | . | trans | -60.7 | -18.5 | 178.3 | -66.3 | -64.2 | -39.9 | 0 | 0 | 113.7 | ||||
| 87 | G | 94.4 | Very high | 87.9 | Confident | 23 Ų | 23 | 88.8 Ų | 88.8 | 24% | 0.237 | 50% | 0.498 | C | S | . | . | trans | 86.9 | 153.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y74 Y75 G85 | Y74-G87 CarbonylContact O-C 3.55Å; Y74-G87 VanDerWaalsContact O-CA 3.23Å; Y74-G87 WeakPolarHBondContact O-CA 3.21Å; Y75-G87 VanDerWaalsContact CE1-CA 3.49Å; G85-G87 PolarHBondContact O-N 3.36Å | ||
| 88 | T | 97.3 | Very high | 87.6 | Confident | 91 Ų | 91 | 92.4 Ų | 92.4 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 129.3 | 172.8 | -69 | 0 | 0 | 0 | 0 | 109.5 | L73 Y74 V90 | L73-T88 CarbonylContact C-O 3.48Å; L73-T88 WeakPolarHBondContact CA-O 3.28Å; Y74-T88 PolarHBondContact N-O 3.01Å; Y74-T88 PolarHBondContact O-N 2.95Å; T88-V90 HydrophobicContact CG2-CG2 4.44Å |
| 89 | S | 97.1 | Very high | 87.6 | Confident | 81 Ų | 81 | 97.6 Ų | 97.6 | 57% | 0.566 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.3 | 126.1 | 174.9 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 90 | V | 96.4 | Very high | 88.5 | Confident | 39 Ų | 39 | 92.1 Ų | 92.1 | 24% | 0.236 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.5 | 172.2 | -179.9 | 0 | 0 | 0 | 0 | 107.7 | M63 T71 A72 Y74 T88 V92 | M63-V90 HydrophobicContact CE-CG1 4.43Å; M63-V90 HydrophobicContact CE-CG2 4.32Å; M63-V90 HydrophobicContact SD-CG1 4.18Å; T71-V90 WeakPolarHBondContact CA-O 3.45Å; A72-V90 PolarHBondContact N-O 3.16Å; A72-V90 VanDerWaalsContact N-O 3.1Å; A72-V90 PolarHBondContact O-N 3.08Å; Y74-V90 HydrophobicContact CD2-CB 3.88Å; Y74-V90 HydrophobicContact CD2-CG2 3.76Å; Y74-V90 HydrophobicContact CE2-CB 3.84Å; Y74-V90 HydrophobicContact CE2-CG2 4.17Å; T88-V90 HydrophobicContact CG2-CG2 4.44Å; V90-V92 HydrophobicContact CG1-CG2 4.28Å |
| 91 | T | 95.9 | Very high | 89.6 | Confident | 111 Ų | 111 | 93.6 Ų | 93.6 | 68% | 0.681 | 54% | 0.537 | S | S | * | . | trans | -112 | 125.3 | 176.7 | -54.9 | 0 | 0 | 0 | 0 | 109 | T71 | T71-T91 HydrophobicContact CG2-CG2 4.25Š| ||
| 92 | V | 92.8 | Very high | 91.1 | Very high | 28 Ų | 28 | 93.2 Ų | 93.2 | 17% | 0.17 | 54% | 0.541 | C | S | . | . | trans | -113.1 | 116.9 | 178.2 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | V66 R67 S68 T71 V90 | V66-V92 HydrophobicContact CB-CG2 4.25Å; V66-V92 HydrophobicContact CG2-CG1 4.28Å; V66-V92 HydrophobicContact CG2-CG2 4.1Å; R67-V92 WeakPolarHBondContact O-CB 3.25Å; S68-V92 WeakPolarHBondContact CA-O 3.24Å; T71-V92 PolarHBondContact OG1-N 2.74Å; T71-V92 PolarHBondContact OG1-O 2.8Å; V90-V92 HydrophobicContact CG1-CG2 4.28Å | ||
| 93 | S | 88.3 | Confident | 91.9 | Very high | 107 Ų | 107 | 92.3 Ų | 92.3 | 75% | 0.748 | 54% | 0.539 | S | S | * | . | trans | -93 | 152.1 | 172.8 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 94 | S | 75.1 | Confident | 92.4 | Very high | 176 Ų | 176 | 87.9 Ų | 87.9 | 100% | 1.231 | 54% | 0.539 | S | S | * | . | trans | -72 | 0 | 171.2 | 55.9 | 0 | 0 | 0 | 0 | 112.7 |
Retrieved 94 of 94 residues in 22.8 ms
(Link to these results)