| 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 | 97.4 | Very high | 95.7 | Very high | 108 Ų | 108 | 69.9 Ų | 69.9 | 76% | 0.755 | 45% | 0.448 | S | S | * | . | 0 | 168.5 | 0 | 49.8 | 0 | 0 | 0 | 0 | 109 | L59 | S1-L59 CarbonylContact C-O 3.58Å; S1-L59 WeakPolarHBondContact CA-O 3.32Å | |||
| 2 | C | 98.1 | Very high | 95.6 | Very high | 20 Ų | 20 | 70 Ų | 70 | 14% | 0.135 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 116.2 | 175.6 | 164.8 | 0 | 0 | 0 | 0 | 109 | W16 T58 L59 C76 | C2-W16 HydrophobicContact CB-CH2 3.72Å; C2-W16 HydrophobicContact CB-CZ2 3.99Å; C2-T58 CarbonylContact O-C 3.56Å; C2-T58 WeakPolarHBondContact O-CA 3.34Å; C2-L59 HydrophobicContact CB-CB 4.43Å; C2-L59 PolarHBondContact N-O 3.27Å; C2-L59 PolarHBondContact O-N 3.24Å; C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.47Å; C2-C76 WeakPolarHBondContact SG-CB 3.32Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 3.32Å |
| 3 | A | 97.9 | Very high | 95.7 | Very high | 80 Ų | 80 | 70.9 Ų | 70.9 | 66% | 0.661 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 127.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 4 | A | 96.3 | Very high | 95.8 | Very high | 17 Ų | 17 | 66.2 Ų | 66.2 | 14% | 0.14 | 40% | 0.396 | C | S | . | . | trans | -95.2 | 146.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F7 F9 N57 | A4-F7 HydrophobicContact CB-CE1 4.03Å; A4-F7 HydrophobicContact CB-CE2 4.34Å; A4-F7 HydrophobicContact CB-CZ 3.66Å; A4-F9 HydrophobicContact CB-CB 4.31Å; A4-F9 HydrophobicContact CB-CD2 3.49Å; A4-F9 VanDerWaalsContact CB-CD2 3.49Å; A4-F9 HydrophobicContact CB-CE2 4.16Å; A4-F9 HydrophobicContact CB-CG 4.24Å; A4-N57 PolarHBondContact N-O 2.97Å | ||
| 5 | S | 95 | Very high | 95.9 | Very high | 105 Ų | 105 | 61.8 Ų | 61.8 | 73% | 0.734 | 37% | 0.37 | S | S | * | . | trans | -147.8 | 160.2 | 173.1 | 61.7 | 0 | 0 | 0 | 0 | 109.7 | F7 | S5-F7 WeakPolarHBondContact O-CD1 3.42Š| ||
| 6 | G | 93.3 | Very high | 96 | Very high | 83 Ų | 83 | 58.5 Ų | 58.5 | 86% | 0.856 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 84.6 | 0.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 7 | F | 92.4 | Very high | 96.1 | Very high | 42 Ų | 42 | 55.2 Ų | 55.2 | 18% | 0.184 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -153.2 | 164.9 | 172.5 | 61.9 | -85.9 | 0 | 0 | 0 | 111.4 | A4 S5 F9 Y12 M14 R78 | A4-F7 HydrophobicContact CB-CE1 4.03Å; A4-F7 HydrophobicContact CB-CE2 4.34Å; A4-F7 HydrophobicContact CB-CZ 3.66Å; S5-F7 WeakPolarHBondContact O-CD1 3.42Å; F7-F9 HydrophobicContact CE2-CB 4.3Å; F7-F9 HydrophobicContact CE2-CD2 4.31Å; F7-F9 PolarHBondContact O-N 2.98Å; F7-Y12 AromaticContact CD2-CD2 3.71Å; F7-Y12 HydrophobicContact CD2-CD2 3.71Å; F7-Y12 HydrophobicContact CD2-CE2 4.07Å; F7-Y12 HydrophobicContact CE2-CD2 4.21Å; F7-M14 HydrophobicContact CE2-SD 4.15Å; F7-M14 HydrophobicContact CZ-CE 4.35Å; F7-M14 HydrophobicContact CZ-SD 4.23Å; F7-R78 HydrophobicContact CE2-CG 4.05Å; F7-R78 HydrophobicContact CZ-CB 4.29Å; F7-R78 HydrophobicContact CZ-CG 4.26Å |
| 8 | D | 95.1 | Very high | 96.2 | Very high | 81 Ų | 81 | 53.3 Ų | 53.3 | 43% | 0.433 | 32% | 0.315 | S | S | . | . | trans | -75.2 | 89 | 173.7 | -176.7 | -3.8 | 0 | 0 | 0 | 110.3 | S10 R11 Y12 | D8-S10 PolarHBondContact O-N 3.1Å; D8-S10 VanDerWaalsContact O-N 3.09Å; D8-S10 WeakPolarHBondContact OD1-CB 3.39Å; D8-S10 PolarHBondContact OD1-N 3.05Å; D8-S10 PolarHBondContact OD1-OG 3.13Å; D8-R11 HydrophobicContact CB-CG 4.33Å; D8-R11 PolarHBondContact O-N 3.31Å; D8-R11 VanDerWaalsContact O-N 3.09Å; D8-R11 WeakPolarHBondContact OD2-CD 3.28Å; D8-R11 VanDerWaalsContact OD2-CG 3.24Å; D8-R11 WeakPolarHBondContact OD2-CG 3.36Å; D8-Y12 WeakPolarHBondContact O-CD2 3.36Å | ||
| 9 | F | 96.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -49.9 | -36.3 | -178.7 | 176.9 | -99.5 | 0 | 0 | 0 | 112.8 | A4 F7 R11 Y12 M14 R52 N54 N57 L59 | A4-F9 HydrophobicContact CB-CB 4.31Å; A4-F9 HydrophobicContact CB-CD2 3.49Å; A4-F9 VanDerWaalsContact CB-CD2 3.49Å; A4-F9 HydrophobicContact CB-CE2 4.16Å; A4-F9 HydrophobicContact CB-CG 4.24Å; F7-F9 HydrophobicContact CE2-CB 4.3Å; F7-F9 HydrophobicContact CE2-CD2 4.31Å; F7-F9 PolarHBondContact O-N 2.98Å; F9-R11 PolarHBondContact O-N 2.9Å; F9-R11 VanDerWaalsContact O-N 3.12Å; F9-Y12 PolarHBondContact O-N 3.09Å; F9-M14 HydrophobicContact CD2-CE 4.33Å; F9-M14 HydrophobicContact CD2-CG 4.07Å; F9-M14 HydrophobicContact CD2-SD 3.97Å; F9-M14 HydrophobicContact CE2-CE 3.99Å; F9-M14 HydrophobicContact CE2-CG 3.54Å; F9-M14 HydrophobicContact CE2-SD 3.9Å; F9-M14 HydrophobicContact CZ-CG 4.08Å; F9-R52 VanDerWaalsContact CD1-NH2 3.3Å; F9-R52 HydrophobicContact CE1-CB 4.18Å; F9-R52 HydrophobicContact CZ-CB 4.13Å; F9-R52 PolarHBondContact O-NH2 3.14Å; F9-N54 WeakPolarHBondContact CD1-OD1 3.46Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.34Å; F9-N57 HydrophobicContact CB-CB 3.88Å; F9-N57 WeakPolarHBondContact CB-OD1 3.37Å; F9-N57 HydrophobicContact CD1-CB 4.35Å; F9-N57 HydrophobicContact CG-CB 4.12Å; F9-L59 HydrophobicContact CE2-CB 4.28Å; F9-L59 HydrophobicContact CZ-CB 4.17Å |
| 10 | S | 96 | Very high | 96.3 | Very high | 47 Ų | 47 | 52.9 Ų | 52.9 | 33% | 0.329 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -66 | -14.2 | -175.8 | 77.2 | 0 | 0 | 0 | 0 | 114.2 | D8 P33 | D8-S10 PolarHBondContact O-N 3.1Å; D8-S10 VanDerWaalsContact O-N 3.09Å; D8-S10 WeakPolarHBondContact OD1-CB 3.39Å; D8-S10 PolarHBondContact OD1-N 3.05Å; D8-S10 PolarHBondContact OD1-OG 3.13Å; S10-P33 VanDerWaalsContact O-CB 3.3Å; S10-P33 WeakPolarHBondContact O-CB 3.47Å |
| 11 | R | 95 | Very high | 96.2 | Very high | 185 Ų | 185 | 55.2 Ų | 55.2 | 70% | 0.698 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -98.2 | -10.7 | -177.1 | -66.3 | -171.4 | 71.2 | 160.3 | 4.7 | 114.9 | D8 F9 | D8-R11 HydrophobicContact CB-CG 4.33Å; D8-R11 PolarHBondContact O-N 3.31Å; D8-R11 VanDerWaalsContact O-N 3.09Å; D8-R11 WeakPolarHBondContact OD2-CD 3.28Å; D8-R11 VanDerWaalsContact OD2-CG 3.24Å; D8-R11 WeakPolarHBondContact OD2-CG 3.36Å; F9-R11 PolarHBondContact O-N 2.9Å; F9-R11 VanDerWaalsContact O-N 3.12Å |
| 12 | Y | 95.3 | Very high | 96.2 | Very high | 71 Ų | 71 | 54.2 Ų | 54.2 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -113.1 | 148.6 | -173 | -61.5 | -83.8 | 0 | 0 | 0 | 112.1 | F7 D8 F9 R52 R78 | F7-Y12 AromaticContact CD2-CD2 3.71Å; F7-Y12 HydrophobicContact CD2-CD2 3.71Å; F7-Y12 HydrophobicContact CD2-CE2 4.07Å; F7-Y12 HydrophobicContact CE2-CD2 4.21Å; D8-Y12 WeakPolarHBondContact O-CD2 3.36Å; F9-Y12 PolarHBondContact O-N 3.09Å; Y12-R52 PolarHBondContact O-NH1 3.21Å; Y12-R78 HydrophobicContact CD1-CG 4.21Å; Y12-R78 HydrophobicContact CG-CG 3.89Å |
| 13 | W | 96.1 | Very high | 96.1 | Very high | 82 Ų | 82 | 60.3 Ų | 60.3 | 31% | 0.311 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 148.1 | 161 | -74.9 | 67.9 | 0 | 0 | 0 | 108.7 | E30 I31 N32 P33 T37 D79 | W13-E30 HydrophobicContact CE3-CB 4.21Å; W13-E30 HydrophobicContact CE3-CG 3.48Å; W13-E30 VanDerWaalsContact CE3-CG 3.48Å; W13-E30 VanDerWaalsContact CZ3-CD 3.45Å; W13-E30 HydrophobicContact CZ3-CG 3.57Å; W13-E30 WeakPolarHBondContact CZ3-OE1 3.14Å; W13-I31 WeakPolarHBondContact CA-O 3.18Å; W13-N32 HydrophobicContact CD2-CB 3.62Å; W13-N32 HydrophobicContact CE3-CB 3.92Å; W13-N32 HydrophobicContact CG-CB 4.31Å; W13-N32 HydrophobicContact CH2-CB 3.68Å; W13-N32 HydrophobicContact CZ2-CB 3.34Å; W13-N32 HydrophobicContact CZ3-CB 3.95Å; W13-P33 VanDerWaalsContact CD1-CD 3.43Å; W13-T37 HydrophobicContact CH2-CG2 3.92Å; W13-T37 HydrophobicContact CZ3-CG2 4.5Å; W13-D79 HydrophobicContact CB-CB 3.58Å; W13-D79 PolarHBondContact O-N 3.04Å |
| 14 | M | 97.3 | Very high | 96 | Very high | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.025 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 132.6 | -177.1 | -63.5 | -62.3 | -53.1 | 0 | 0 | 109.4 | F7 F9 E30 I31 L59 A77 R78 | F7-M14 HydrophobicContact CE2-SD 4.15Å; F7-M14 HydrophobicContact CZ-CE 4.35Å; F7-M14 HydrophobicContact CZ-SD 4.23Å; F9-M14 HydrophobicContact CD2-CE 4.33Å; F9-M14 HydrophobicContact CD2-CG 4.07Å; F9-M14 HydrophobicContact CD2-SD 3.97Å; F9-M14 HydrophobicContact CE2-CE 3.99Å; F9-M14 HydrophobicContact CE2-CG 3.54Å; F9-M14 HydrophobicContact CE2-SD 3.9Å; F9-M14 HydrophobicContact CZ-CG 4.08Å; M14-E30 CarbonylContact O-C 3.53Å; M14-E30 VanDerWaalsContact O-CA 3.26Å; M14-E30 WeakPolarHBondContact O-CA 3.14Å; M14-I31 HydrophobicContact CB-CG2 4.39Å; M14-I31 PolarHBondContact N-O 2.78Å; M14-I31 VanDerWaalsContact N-O 3.1Å; M14-I31 PolarHBondContact O-N 3.07Å; M14-L59 HydrophobicContact CB-CD1 3.81Å; M14-L59 HydrophobicContact CB-CD2 3.89Å; M14-L59 HydrophobicContact CB-CG 4.37Å; M14-A77 WeakPolarHBondContact CA-O 3.39Å; M14-A77 WeakPolarHBondContact CE-O 3.34Å; M14-R78 HydrophobicContact CE-CB 4.28Å; M14-R78 HydrophobicContact SD-CB 4Å; M14-R78 HydrophobicContact SD-CG 3.95Å |
| 15 | S | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 154.5 | -175.4 | -82.4 | 0 | 0 | 0 | 0 | 112.7 | W27 G29 E30 C76 A77 D79 F85 | S15-W27 PolarHBondContact OG-NE1 2.91Å; S15-W27 VanDerWaalsContact OG-NE1 3.1Å; S15-G29 WeakPolarHBondContact CA-O 3.14Å; S15-E30 WeakPolarHBondContact OG-CB 3.44Å; S15-C76 CarbonylContact O-C 3.45Å; S15-C76 VanDerWaalsContact O-CA 3.31Å; S15-C76 WeakPolarHBondContact O-CA 3.45Å; S15-A77 PolarHBondContact N-O 3.37Å; S15-A77 PolarHBondContact O-N 3.21Å; S15-D79 WeakPolarHBondContact CB-OD2 3.39Å; S15-D79 PolarHBondContact OG-OD2 2.8Å; S15-F85 VanDerWaalsContact CB-CE1 3.41Å; S15-F85 WeakPolarHBondContact OG-CE1 3.25Å |
| 16 | W | 97.9 | Very high | 96 | Very high | 9 Ų | 9 | 61.3 Ų | 61.3 | 3% | 0.034 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 136.4 | 160.9 | -76 | 100.3 | 0 | 0 | 0 | 110.4 | C2 I28 G29 L59 Y60 L61 Y75 C76 | C2-W16 HydrophobicContact CB-CH2 3.72Å; C2-W16 HydrophobicContact CB-CZ2 3.99Å; W16-I28 HydrophobicContact CB-CB 4.11Å; W16-I28 HydrophobicContact CB-CD1 4.22Å; W16-I28 WeakPolarHBondContact O-CB 3.4Å; W16-I28 PolarHBondContact O-N 2.92Å; W16-G29 PolarHBondContact N-O 2.88Å; W16-L59 HydrophobicContact CD2-CD2 4.23Å; W16-L59 HydrophobicContact CG-CD2 4.26Å; W16-L59 HydrophobicContact CZ2-CB 4.46Å; W16-L59 HydrophobicContact CZ2-CD2 4.07Å; W16-L59 HydrophobicContact CZ2-CG 4.17Å; W16-L59 VanDerWaalsContact NE1-CG 3.31Å; W16-Y60 PolarHBondContact NE1-O 2.76Å; W16-Y60 VanDerWaalsContact NE1-O 3.14Å; W16-L61 HydrophobicContact CB-CD1 4.34Å; W16-L61 HydrophobicContact CB-CD2 4.17Å; W16-L61 HydrophobicContact CD2-CB 3.83Å; W16-L61 HydrophobicContact CD2-CD2 3.83Å; W16-L61 HydrophobicContact CD2-CG 4.31Å; W16-L61 HydrophobicContact CE3-CB 4.43Å; W16-L61 HydrophobicContact CE3-CD2 4Å; W16-L61 HydrophobicContact CG-CB 4.12Å; W16-L61 HydrophobicContact CG-CD1 4Å; W16-L61 HydrophobicContact CG-CD2 3.89Å; W16-L61 HydrophobicContact CG-CG 4.25Å; W16-L61 HydrophobicContact CZ2-CB 3.94Å; W16-Y75 WeakPolarHBondContact CA-O 3.34Å; W16-C76 HydrophobicContact CE3-CB 4.31Å; W16-C76 HydrophobicContact CH2-CB 4.11Å; W16-C76 HydrophobicContact CZ2-CB 4.36Å; W16-C76 HydrophobicContact CZ3-CB 4.09Å |
| 17 | V | 97.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 143.6 | 177.5 | -178.8 | 0 | 0 | 0 | 0 | 107.6 | L25 E26 Y74 Y75 F85 W88 | V17-L25 HydrophobicContact CG1-CB 3.89Å; V17-L25 HydrophobicContact CG1-CD2 4.05Å; V17-L25 HydrophobicContact CG1-CG 4.44Å; V17-E26 CarbonylContact C-O 3.6Å; V17-E26 WeakPolarHBondContact CA-O 3.19Å; V17-E26 WeakPolarHBondContact CG1-O 3.39Å; V17-Y74 CarbonylContact O-C 3.56Å; V17-Y75 PolarHBondContact N-O 3.12Å; V17-Y75 PolarHBondContact O-N 3.23Å; V17-F85 HydrophobicContact CG2-CE2 4.27Å; V17-F85 HydrophobicContact CG2-CZ 4.26Å; V17-W88 HydrophobicContact CB-CH2 4.18Å; V17-W88 HydrophobicContact CB-CZ3 3.81Å; V17-W88 HydrophobicContact CG1-CH2 4.08Å; V17-W88 HydrophobicContact CG1-CZ3 3.96Å; V17-W88 HydrophobicContact CG2-CH2 3.87Å; V17-W88 HydrophobicContact CG2-CZ3 3.88Å |
| 18 | R | 97.2 | Very high | 96.3 | Very high | 21 Ų | 21 | 59 Ų | 59 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 159.6 | 171.9 | 68 | 177.1 | -170.9 | 177.3 | 1 | 112.7 | E26 I28 D70 A72 L73 Y74 | R18-E26 HydrophobicContact CG-CB 4.19Å; R18-E26 IonicContact CZ-OE2 3.22Å; R18-E26 VanDerWaalsContact CZ-OE2 3.22Å; R18-E26 PolarHBondContact N-O 2.73Å; R18-E26 IonicContact NE-OE2 2.73Å; R18-E26 PolarHBondContact NE-OE2 2.78Å; R18-E26 IonicContact NH2-OE1 3.67Å; R18-E26 IonicContact NH2-OE2 2.82Å; R18-E26 PolarHBondContact NH2-OE2 2.96Å; R18-E26 PolarHBondContact O-N 2.82Å; R18-I28 HydrophobicContact CB-CD1 4.04Å; R18-I28 HydrophobicContact CB-CG1 4.43Å; R18-I28 HydrophobicContact CG-CD1 4.1Å; R18-I28 HydrophobicContact CG-CG1 4.09Å; R18-D70 IonicContact NH1-OD1 3.21Å; R18-D70 PolarHBondContact NH1-OD1 3.12Å; R18-A72 HydrophobicContact CB-CB 4Å; R18-A72 HydrophobicContact CG-CB 4.47Å; R18-L73 CarbonylContact C-O 3.47Å; R18-L73 WeakPolarHBondContact CA-O 3.39Å; R18-Y74 HydrophobicContact CB-CD1 3.89Å; R18-Y74 HydrophobicContact CB-CE1 3.9Å; R18-Y74 HydrophobicContact CB-CG 4.26Å |
| 19 | Q | 97.9 | Very high | 96.4 | Very high | 70 Ų | 70 | 55.1 Ų | 55.1 | 33% | 0.327 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 105.4 | 175.4 | -168.3 | 176.8 | 19.3 | 0 | 0 | 109.8 | K23 L25 A72 L73 Y75 | Q19-K23 WeakPolarHBondContact CG-O 3.22Å; Q19-K23 PolarHBondContact NE2-O 2.88Å; Q19-L25 HydrophobicContact CB-CD2 4.07Å; Q19-L25 HydrophobicContact CG-CD2 4.35Å; Q19-A72 WeakPolarHBondContact O-CA 3.44Å; Q19-A72 WeakPolarHBondContact O-CB 3.42Å; Q19-L73 PolarHBondContact N-O 2.94Å; Q19-L73 PolarHBondContact O-N 3.17Å; Q19-Y75 HydrophobicContact CB-CE2 3.92Å; Q19-Y75 PolarHBondContact OE1-OH 3.09Å; Q19-Y75 VanDerWaalsContact OE1-OH 3.13Å |
| 20 | A | 96.6 | Very high | 96.4 | Very high | 27 Ų | 27 | 56.7 Ų | 56.7 | 22% | 0.223 | 30% | 0.304 | C | S | . | . | trans | -70.8 | 152.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G22 K23 A72 | A20-G22 PolarHBondContact O-N 2.81Å; A20-K23 HydrophobicContact CB-CB 4.09Å; A20-K23 HydrophobicContact CB-CG 3.94Å; A20-K23 WeakPolarHBondContact O-CB 3.48Å; A20-K23 PolarHBondContact O-N 3.05Å; A20-A72 HydrophobicContact CB-CB 4.48Å | ||
| 21 | P | 95.8 | Very high | 96.5 | Very high | 102 Ų | 102 | 54.5 Ų | 54.5 | 66% | 0.662 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 126.5 | 177.1 | -26.5 | 34.5 | 0 | 0 | 0 | 112.2 | K23 T71 | P21-K23 PolarHBondContact O-N 3.44Å; P21-T71 WeakPolarHBondContact CD-O 3.42Å; P21-T71 HydrophobicContact CG-CG2 4.47Å |
| 22 | G | 95.9 | Very high | 96.5 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 91% | 0.907 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 12.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A20 | A20-G22 PolarHBondContact O-N 2.81Š|
| 23 | K | 95.9 | Very high | 96.6 | Very high | 148 Ų | 148 | 44.5 Ų | 44.5 | 64% | 0.643 | 26% | 0.256 | S | S | * | . | trans | -115.8 | 163.2 | 176.9 | -58.7 | -63.4 | -175.8 | 178.8 | 0 | 111.8 | Q19 A20 P21 | Q19-K23 WeakPolarHBondContact CG-O 3.22Å; Q19-K23 PolarHBondContact NE2-O 2.88Å; A20-K23 HydrophobicContact CB-CB 4.09Å; A20-K23 HydrophobicContact CB-CG 3.94Å; A20-K23 WeakPolarHBondContact O-CB 3.48Å; A20-K23 PolarHBondContact O-N 3.05Å; P21-K23 PolarHBondContact O-N 3.44Å | ||
| 24 | G | 95.9 | Very high | 96.6 | Very high | 55 Ų | 55 | 45.8 Ų | 45.8 | 57% | 0.567 | 27% | 0.269 | S | S | * | . | trans | -73.1 | 178.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 25 | L | 95.9 | Very high | 96.6 | Very high | 101 Ų | 101 | 48 Ų | 48 | 53% | 0.529 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 133 | 172.4 | -63.2 | 175.1 | 0 | 0 | 0 | 110.2 | V17 Q19 Y75 W88 | V17-L25 HydrophobicContact CG1-CB 3.89Å; V17-L25 HydrophobicContact CG1-CD2 4.05Å; V17-L25 HydrophobicContact CG1-CG 4.44Å; Q19-L25 HydrophobicContact CB-CD2 4.07Å; Q19-L25 HydrophobicContact CG-CD2 4.35Å; L25-Y75 HydrophobicContact CD2-CD2 4.41Å; L25-Y75 HydrophobicContact CD2-CE2 4.07Å; L25-W88 HydrophobicContact CD1-CH2 3.91Å; L25-W88 HydrophobicContact CD1-CZ2 4.5Å; L25-W88 HydrophobicContact CD1-CZ3 4.44Å |
| 26 | E | 96 | Very high | 96.6 | Very high | 67 Ų | 67 | 52 Ų | 52 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 117.4 | 174.7 | -176.7 | -177.1 | -160.2 | 0 | 0 | 108.5 | V17 R18 L44 | V17-E26 CarbonylContact C-O 3.6Å; V17-E26 WeakPolarHBondContact CA-O 3.19Å; V17-E26 WeakPolarHBondContact CG1-O 3.39Å; R18-E26 HydrophobicContact CG-CB 4.19Å; R18-E26 IonicContact CZ-OE2 3.22Å; R18-E26 VanDerWaalsContact CZ-OE2 3.22Å; R18-E26 PolarHBondContact N-O 2.73Å; R18-E26 IonicContact NE-OE2 2.73Å; R18-E26 PolarHBondContact NE-OE2 2.78Å; R18-E26 IonicContact NH2-OE1 3.67Å; R18-E26 IonicContact NH2-OE2 2.82Å; R18-E26 PolarHBondContact NH2-OE2 2.96Å; R18-E26 PolarHBondContact O-N 2.82Å; E26-L44 HydrophobicContact CG-CD1 4.33Å |
| 27 | W | 96.1 | Very high | 96.6 | Very high | 75 Ų | 75 | 54.3 Ų | 54.3 | 28% | 0.284 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 132.4 | 175.3 | 178.7 | 81.4 | 0 | 0 | 0 | 110.3 | S15 G29 E30 N39 Y40 T41 F85 | S15-W27 PolarHBondContact OG-NE1 2.91Å; S15-W27 VanDerWaalsContact OG-NE1 3.1Å; W27-G29 VanDerWaalsContact CE2-CA 3.48Å; W27-G29 VanDerWaalsContact CZ2-C 3.44Å; W27-E30 HydrophobicContact CZ2-CB 3.82Å; W27-E30 HydrophobicContact CZ2-CG 3.71Å; W27-N39 HydrophobicContact CH2-CB 3.79Å; W27-N39 HydrophobicContact CZ2-CB 4.36Å; W27-Y40 VanDerWaalsContact CZ3-C 3.49Å; W27-T41 VanDerWaalsContact CE3-OG1 3.28Å; W27-T41 WeakPolarHBondContact O-CB 3.31Å; W27-T41 PolarHBondContact O-OG1 3.26Å; W27-F85 AromaticContact CD1-CZ 3.84Å |
| 28 | I | 96.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -47.6 | 179.6 | -60.8 | -179.6 | 0 | 0 | 0 | 110.2 | W16 R18 Y40 T41 L44 F48 L61 Y74 | W16-I28 HydrophobicContact CB-CB 4.11Å; W16-I28 HydrophobicContact CB-CD1 4.22Å; W16-I28 WeakPolarHBondContact O-CB 3.4Å; W16-I28 PolarHBondContact O-N 2.92Å; R18-I28 HydrophobicContact CB-CD1 4.04Å; R18-I28 HydrophobicContact CB-CG1 4.43Å; R18-I28 HydrophobicContact CG-CD1 4.1Å; R18-I28 HydrophobicContact CG-CG1 4.09Å; I28-Y40 WeakPolarHBondContact O-CA 3.39Å; I28-T41 PolarHBondContact O-N 3.21Å; I28-L44 HydrophobicContact CB-CD1 4.43Å; I28-L44 HydrophobicContact CG1-CD1 4.14Å; I28-L44 HydrophobicContact CG2-CD1 4.48Å; I28-F48 HydrophobicContact CG2-CB 3.97Å; I28-F48 HydrophobicContact CG2-CD2 3.85Å; I28-F48 HydrophobicContact CG2-CG 3.98Å; I28-L61 HydrophobicContact CD1-CD2 3.89Å; I28-L61 HydrophobicContact CG2-CD1 4.38Å; I28-Y74 HydrophobicContact CD1-CD1 3.71Å; I28-Y74 HydrophobicContact CD1-CE1 3.57Å |
| 29 | G | 96.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.2 | 171.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S15 W16 W27 N39 I50 | S15-G29 WeakPolarHBondContact CA-O 3.14Å; W16-G29 PolarHBondContact N-O 2.88Å; W27-G29 VanDerWaalsContact CE2-CA 3.48Å; W27-G29 VanDerWaalsContact CZ2-C 3.44Å; G29-N39 CarbonylContact C-O 3.56Å; G29-N39 WeakPolarHBondContact CA-O 3.13Å; G29-I50 WeakPolarHBondContact O-CD1 2.97Å |
| 30 | E | 96.5 | Very high | 96.4 | Very high | 34 Ų | 34 | 58 Ų | 58 | 16% | 0.159 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 156.5 | -179.5 | 72.5 | -173.2 | 163.1 | 0 | 0 | 110.9 | W13 M14 S15 W27 I38 N39 | W13-E30 HydrophobicContact CE3-CB 4.21Å; W13-E30 HydrophobicContact CE3-CG 3.48Å; W13-E30 VanDerWaalsContact CE3-CG 3.48Å; W13-E30 VanDerWaalsContact CZ3-CD 3.45Å; W13-E30 HydrophobicContact CZ3-CG 3.57Å; W13-E30 WeakPolarHBondContact CZ3-OE1 3.14Å; M14-E30 CarbonylContact O-C 3.53Å; M14-E30 VanDerWaalsContact O-CA 3.26Å; M14-E30 WeakPolarHBondContact O-CA 3.14Å; S15-E30 WeakPolarHBondContact OG-CB 3.44Å; W27-E30 HydrophobicContact CZ2-CB 3.82Å; W27-E30 HydrophobicContact CZ2-CG 3.71Å; E30-I38 VanDerWaalsContact O-CA 3.31Å; E30-I38 WeakPolarHBondContact O-CA 3.34Å; E30-I38 WeakPolarHBondContact O-CG2 3.4Å; E30-N39 HydrophobicContact CG-CB 4.04Å; E30-N39 PolarHBondContact N-O 2.89Å; E30-N39 PolarHBondContact O-N 3.02Å; E30-N39 PolarHBondContact OE1-ND2 2.84Å |
| 31 | I | 97.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 134.5 | 176.1 | -175.6 | 161.5 | 0 | 0 | 0 | 110.5 | W13 M14 I38 I50 R52 L59 | W13-I31 WeakPolarHBondContact CA-O 3.18Å; M14-I31 HydrophobicContact CB-CG2 4.39Å; M14-I31 PolarHBondContact N-O 2.78Å; M14-I31 VanDerWaalsContact N-O 3.1Å; M14-I31 PolarHBondContact O-N 3.07Å; I31-I38 HydrophobicContact CB-CG1 4.41Å; 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 3.83Å; I31-I50 HydrophobicContact CD1-CG2 4.5Å; I31-I50 HydrophobicContact CG2-CG2 3.6Å; I31-R52 HydrophobicContact CD1-CG 3.95Å; I31-R52 HydrophobicContact CG1-CG 4.39Å; I31-R52 HydrophobicContact CG2-CB 4.48Å; I31-L59 HydrophobicContact CG2-CD1 3.48Å; I31-L59 VanDerWaalsContact CG2-CD1 3.48Å |
| 32 | N | 96.3 | Very high | 96.3 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | trans | -75.5 | 164.6 | 179.6 | 79.2 | -29.2 | 0 | 0 | 0 | 112.4 | W13 D34 S35 S36 T37 R52 | W13-N32 HydrophobicContact CD2-CB 3.62Å; W13-N32 HydrophobicContact CE3-CB 3.92Å; W13-N32 HydrophobicContact CG-CB 4.31Å; W13-N32 HydrophobicContact CH2-CB 3.68Å; W13-N32 HydrophobicContact CZ2-CB 3.34Å; W13-N32 HydrophobicContact CZ3-CB 3.95Å; N32-D34 VanDerWaalsContact C-N 3.33Å; N32-D34 VanDerWaalsContact CG-OD1 3.22Å; N32-D34 PolarHBondContact ND2-OD1 2.93Å; N32-D34 PolarHBondContact O-N 3.12Å; N32-D34 PolarHBondContact OD1-OD1 2.9Å; N32-D34 VanDerWaalsContact OD1-OD1 3.13Å; N32-S35 PolarHBondContact O-N 2.92Å; N32-S35 VanDerWaalsContact O-N 3.12Å; N32-S35 VanDerWaalsContact OD1-C 3.3Å; N32-S35 VanDerWaalsContact OD1-CA 3.25Å; N32-S35 WeakPolarHBondContact OD1-CA 3.34Å; N32-S35 PolarHBondContact OD1-N 2.88Å; N32-S36 PolarHBondContact ND2-OG 2.85Å; N32-S36 PolarHBondContact OD1-N 3.27Å; N32-T37 PolarHBondContact N-O 2.63Å; N32-T37 VanDerWaalsContact N-O 3.09Å; N32-T37 PolarHBondContact OD1-N 2.55Å; N32-T37 PolarHBondContact OD1-O 3.23Å; N32-T37 VanDerWaalsContact OD1-O 3.12Å; N32-R52 WeakPolarHBondContact O-CD 3.49Å; N32-R52 PolarHBondContact O-NH1 2.82Å; N32-R52 VanDerWaalsContact O-NH1 3.16Å | ||
| 33 | P | 96.8 | Very high | 96 | Very high | 33 Ų | 33 | 59 Ų | 59 | 21% | 0.214 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -43.9 | -46.6 | 179.2 | -40.9 | 43.2 | 0 | 0 | 0 | 117 | S10 W13 R52 N54 | S10-P33 VanDerWaalsContact O-CB 3.3Å; S10-P33 WeakPolarHBondContact O-CB 3.47Å; W13-P33 VanDerWaalsContact CD1-CD 3.43Å; P33-R52 VanDerWaalsContact CA-NH1 3.34Å; P33-N54 PolarHBondContact O-ND2 2.02Å |
| 34 | D | 96.4 | Very high | 95.8 | Very high | 110 Ų | 110 | 52.2 Ų | 52.2 | 59% | 0.588 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 3.2 | -175.1 | 67.2 | 12 | 0 | 0 | 0 | 113.6 | N32 S36 | N32-D34 VanDerWaalsContact C-N 3.33Å; N32-D34 VanDerWaalsContact CG-OD1 3.22Å; N32-D34 PolarHBondContact ND2-OD1 2.93Å; N32-D34 PolarHBondContact O-N 3.12Å; N32-D34 PolarHBondContact OD1-OD1 2.9Å; N32-D34 VanDerWaalsContact OD1-OD1 3.13Å; D34-S36 PolarHBondContact O-N 3.2Å; D34-S36 WeakPolarHBondContact OD1-CB 3.33Å; D34-S36 PolarHBondContact OD1-N 2.85Å; D34-S36 PolarHBondContact OD1-OG 2.89Å; D34-S36 PolarHBondContact OD2-OG 3.21Å |
| 35 | S | 97.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 55.6 Ų | 55.6 | 36% | 0.357 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 62.5 | 11.5 | -177.9 | -45.5 | 0 | 0 | 0 | 0 | 115.6 | N32 T37 R52 | N32-S35 PolarHBondContact O-N 2.92Å; N32-S35 VanDerWaalsContact O-N 3.12Å; N32-S35 VanDerWaalsContact OD1-C 3.3Å; N32-S35 VanDerWaalsContact OD1-CA 3.25Å; N32-S35 WeakPolarHBondContact OD1-CA 3.34Å; N32-S35 PolarHBondContact OD1-N 2.88Å; S35-T37 VanDerWaalsContact C-N 3.32Å; S35-R52 WeakPolarHBondContact OG-CD 3.44Å; S35-R52 WeakPolarHBondContact OG-CG 3.4Å |
| 36 | S | 97.4 | Very high | 95.2 | Very high | 85 Ų | 85 | 57.9 Ų | 57.9 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -73.9 | -23.7 | 177.1 | 63.9 | 0 | 0 | 0 | 0 | 113.3 | N32 D34 | N32-S36 PolarHBondContact ND2-OG 2.85Å; N32-S36 PolarHBondContact OD1-N 3.27Å; D34-S36 PolarHBondContact O-N 3.2Å; D34-S36 WeakPolarHBondContact OD1-CB 3.33Å; D34-S36 PolarHBondContact OD1-N 2.85Å; D34-S36 PolarHBondContact OD1-OG 2.89Å; D34-S36 PolarHBondContact OD2-OG 3.21Å |
| 37 | T | 97.1 | Very high | 95 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 34% | 0.344 | 31% | 0.314 | S | S | . | . | trans | -127.4 | 130.6 | -178.4 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | W13 N32 S35 | W13-T37 HydrophobicContact CH2-CG2 3.92Å; W13-T37 HydrophobicContact CZ3-CG2 4.5Å; N32-T37 PolarHBondContact N-O 2.63Å; N32-T37 VanDerWaalsContact N-O 3.09Å; N32-T37 PolarHBondContact OD1-N 2.55Å; N32-T37 PolarHBondContact OD1-O 3.23Å; N32-T37 VanDerWaalsContact OD1-O 3.12Å; S35-T37 VanDerWaalsContact C-N 3.32Å | ||
| 38 | I | 97 | Very high | 94.9 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 32% | 0.323 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 121.2 | 174 | -45.3 | 178.7 | 0 | 0 | 0 | 108.3 | E30 I31 Y40 I50 | E30-I38 VanDerWaalsContact O-CA 3.31Å; E30-I38 WeakPolarHBondContact O-CA 3.34Å; E30-I38 WeakPolarHBondContact O-CG2 3.4Å; I31-I38 HydrophobicContact CB-CG1 4.41Å; 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 3.9Å; I38-Y40 HydrophobicContact CG2-CD2 4.01Å; I38-Y40 HydrophobicContact CG2-CE1 4.39Å; I38-Y40 HydrophobicContact CG2-CE2 3.25Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.48Å; I38-I50 HydrophobicContact CG2-CB 4.18Å |
| 39 | N | 95.7 | Very high | 94.9 | Very high | 67 Ų | 67 | 57 Ų | 57 | 36% | 0.358 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 148.4 | 174.7 | -58.7 | -44.2 | 0 | 0 | 0 | 109.5 | W27 G29 E30 | W27-N39 HydrophobicContact CH2-CB 3.79Å; W27-N39 HydrophobicContact CZ2-CB 4.36Å; G29-N39 CarbonylContact C-O 3.56Å; G29-N39 WeakPolarHBondContact CA-O 3.13Å; E30-N39 HydrophobicContact CG-CB 4.04Å; E30-N39 PolarHBondContact N-O 2.89Å; E30-N39 PolarHBondContact O-N 3.02Å; E30-N39 PolarHBondContact OE1-ND2 2.84Å |
| 40 | Y | 96.2 | Very high | 95 | Very high | 43 Ų | 43 | 57.1 Ų | 57.1 | 17% | 0.169 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 153.3 | -179.1 | -70 | -88.6 | 0 | 0 | 0 | 110.7 | W27 I28 I38 P42 K45 F48 I50 | W27-Y40 VanDerWaalsContact CZ3-C 3.49Å; I28-Y40 WeakPolarHBondContact O-CA 3.39Å; I38-Y40 HydrophobicContact CB-CE2 3.9Å; I38-Y40 HydrophobicContact CG2-CD2 4.01Å; I38-Y40 HydrophobicContact CG2-CE1 4.39Å; I38-Y40 HydrophobicContact CG2-CE2 3.25Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.48Å; Y40-P42 WeakPolarHBondContact O-CD 2.81Å; Y40-K45 HydrophobicContact CD2-CD 4.45Å; Y40-K45 HydrophobicContact CD2-CG 3.94Å; Y40-K45 HydrophobicContact CG-CB 4.12Å; Y40-K45 HydrophobicContact CG-CG 4.03Å; Y40-F48 VanDerWaalsContact CE1-O 3.25Å; Y40-F48 WeakPolarHBondContact CE1-O 3.45Å; Y40-I50 HydrophobicContact CD1-CD1 4.34Å; Y40-I50 HydrophobicContact CE1-CB 4.5Å; Y40-I50 HydrophobicContact CE1-CD1 3.84Å; Y40-I50 HydrophobicContact CE1-CG1 3.83Å; Y40-I50 PolarHBondContact OH-N 2.89Å |
| 41 | T | 95.1 | Very high | 95.1 | Very high | 30 Ų | 30 | 57.9 Ų | 57.9 | 18% | 0.184 | 33% | 0.33 | C | S | . | . | trans | -63.4 | 124.9 | 157.1 | -68.7 | 0 | 0 | 0 | 0 | 108.5 | W27 I28 S43 L44 K45 | W27-T41 VanDerWaalsContact CE3-OG1 3.28Å; W27-T41 WeakPolarHBondContact O-CB 3.31Å; W27-T41 PolarHBondContact O-OG1 3.26Å; I28-T41 PolarHBondContact O-N 3.21Å; T41-S43 VanDerWaalsContact C-N 3.26Å; T41-S43 WeakPolarHBondContact CG2-OG 3.39Å; T41-S43 PolarHBondContact O-N 3.37Å; T41-S43 VanDerWaalsContact O-N 3.12Å; T41-L44 HydrophobicContact CG2-CD1 4.29Å; T41-L44 HydrophobicContact CG2-CG 4.14Å; T41-L44 PolarHBondContact O-N 2.81Å; T41-K45 PolarHBondContact O-N 2.6Å | ||
| 42 | P | 93.8 | Very high | 95.2 | Very high | 117 Ų | 117 | 59 Ų | 59 | 76% | 0.76 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -37.8 | -171.5 | -30.7 | 35.8 | 0 | 0 | 0 | 114.8 | Y40 L44 | Y40-P42 WeakPolarHBondContact O-CD 2.81Å; P42-L44 PolarHBondContact O-N 3.1Å |
| 43 | S | 90.6 | Very high | 95.2 | Very high | 89 Ų | 89 | 60.4 Ų | 60.4 | 62% | 0.622 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -14.5 | 178.7 | 54 | 0 | 0 | 0 | 0 | 114.3 | T41 | T41-S43 VanDerWaalsContact C-N 3.26Å; T41-S43 WeakPolarHBondContact CG2-OG 3.39Å; T41-S43 PolarHBondContact O-N 3.37Å; T41-S43 VanDerWaalsContact O-N 3.12Å |
| 44 | L | 90.9 | Very high | 95.3 | Very high | 6 Ų | 6 | 61.7 Ų | 61.7 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -14.2 | -172.6 | -59.8 | -173.2 | 0 | 0 | 0 | 113.2 | E26 I28 T41 P42 D46 K47 F48 | E26-L44 HydrophobicContact CG-CD1 4.33Å; I28-L44 HydrophobicContact CB-CD1 4.43Å; I28-L44 HydrophobicContact CG1-CD1 4.14Å; I28-L44 HydrophobicContact CG2-CD1 4.48Å; T41-L44 HydrophobicContact CG2-CD1 4.29Å; T41-L44 HydrophobicContact CG2-CG 4.14Å; T41-L44 PolarHBondContact O-N 2.81Å; P42-L44 PolarHBondContact O-N 3.1Å; L44-D46 VanDerWaalsContact C-N 3.29Å; L44-D46 PolarHBondContact O-N 2.91Å; L44-K47 PolarHBondContact O-N 3.09Å; L44-K47 VanDerWaalsContact O-N 3.09Å; L44-F48 HydrophobicContact CB-CD2 3.94Å; L44-F48 HydrophobicContact CB-CE2 4.29Å; L44-F48 HydrophobicContact CD2-CE2 4.18Å; L44-F48 WeakPolarHBondContact O-CD2 3.21Å; L44-F48 PolarHBondContact O-N 3.29Å |
| 45 | K | 89.1 | Confident | 95.3 | Very high | 127 Ų | 127 | 61 Ų | 61 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -37.1 | -175.2 | -176.2 | 178.2 | 177.7 | -179.1 | 0 | 114.2 | Y40 T41 K47 | Y40-K45 HydrophobicContact CD2-CD 4.45Å; Y40-K45 HydrophobicContact CD2-CG 3.94Å; Y40-K45 HydrophobicContact CG-CB 4.12Å; Y40-K45 HydrophobicContact CG-CG 4.03Å; T41-K45 PolarHBondContact O-N 2.6Å; K45-K47 VanDerWaalsContact C-N 3.32Å |
| 46 | D | 90.6 | Very high | 95.4 | Very high | 148 Ų | 148 | 64.8 Ų | 64.8 | 79% | 0.791 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -10.1 | -176.4 | -63.8 | -27.2 | 0 | 0 | 0 | 113.4 | L44 | L44-D46 VanDerWaalsContact C-N 3.29Å; L44-D46 PolarHBondContact O-N 2.91Å |
| 47 | K | 92.3 | Very high | 95.4 | Very high | 41 Ų | 41 | 63.7 Ų | 63.7 | 18% | 0.178 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -35.8 | -179.3 | -69.9 | -171.8 | 172.8 | -165.9 | 0 | 112.4 | L44 K45 S64 E69 D70 | L44-K47 PolarHBondContact O-N 3.09Å; L44-K47 VanDerWaalsContact O-N 3.09Å; K45-K47 VanDerWaalsContact C-N 3.32Å; K47-S64 PolarHBondContact O-N 3.23Å; K47-S64 PolarHBondContact O-OG 3.23Å; K47-E69 IonicContact NZ-OE1 3.9Å; K47-E69 PolarHBondContact NZ-OE1 3.36Å; K47-D70 IonicContact NZ-OD1 3.02Å; K47-D70 PolarHBondContact NZ-OD1 2.73Å; K47-D70 IonicContact NZ-OD2 2.84Å; K47-D70 PolarHBondContact NZ-OD2 3.16Å |
| 48 | F | 94.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.2 | -170.7 | -60.8 | -69.7 | 0 | 0 | 0 | 111.9 | I28 Y40 L44 L61 Q62 M63 Y74 | I28-F48 HydrophobicContact CG2-CB 3.97Å; I28-F48 HydrophobicContact CG2-CD2 3.85Å; I28-F48 HydrophobicContact CG2-CG 3.98Å; Y40-F48 VanDerWaalsContact CE1-O 3.25Å; Y40-F48 WeakPolarHBondContact CE1-O 3.45Å; L44-F48 HydrophobicContact CB-CD2 3.94Å; L44-F48 HydrophobicContact CB-CE2 4.29Å; L44-F48 HydrophobicContact CD2-CE2 4.18Å; L44-F48 WeakPolarHBondContact O-CD2 3.21Å; L44-F48 PolarHBondContact O-N 3.29Å; F48-L61 HydrophobicContact CB-CD1 3.83Å; F48-L61 HydrophobicContact CD1-CD1 4.13Å; F48-L61 HydrophobicContact CD1-CD2 4.25Å; F48-L61 HydrophobicContact CD1-CG 4.1Å; F48-L61 HydrophobicContact CG-CD1 4.25Å; F48-Q62 WeakPolarHBondContact CA-O 3.26Å; F48-M63 HydrophobicContact CD1-CB 4.07Å; F48-M63 HydrophobicContact CD1-CG 3.7Å; F48-M63 HydrophobicContact CD1-SD 4.45Å; F48-M63 HydrophobicContact CE1-CB 3.97Å; F48-M63 HydrophobicContact CE1-CE 4.18Å; F48-M63 HydrophobicContact CE1-CG 3.64Å; F48-M63 HydrophobicContact CE1-SD 3.84Å; F48-Y74 HydrophobicContact CE1-CE1 4.07Å; F48-Y74 HydrophobicContact CZ-CE1 4.21Å |
| 49 | I | 96.4 | Very high | 95.5 | Very high | 82 Ų | 82 | 58.8 Ų | 58.8 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.2 | 172.9 | -58.1 | 171.9 | 0 | 0 | 0 | 107.7 | Q62 | I49-Q62 HydrophobicContact CB-CB 4.22Å; I49-Q62 PolarHBondContact N-O 3.02Å; I49-Q62 PolarHBondContact O-N 2.8Å |
| 50 | I | 97.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.015 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 135.1 | 175.1 | -58.1 | 173.3 | 0 | 0 | 0 | 108.6 | G29 I31 I38 Y40 L59 Y60 L61 | G29-I50 WeakPolarHBondContact O-CD1 2.97Å; I31-I50 HydrophobicContact CB-CG2 3.83Å; I31-I50 HydrophobicContact CD1-CG2 4.5Å; I31-I50 HydrophobicContact CG2-CG2 3.6Å; I38-I50 HydrophobicContact CG2-CB 4.18Å; Y40-I50 HydrophobicContact CD1-CD1 4.34Å; Y40-I50 HydrophobicContact CE1-CB 4.5Å; Y40-I50 HydrophobicContact CE1-CD1 3.84Å; Y40-I50 HydrophobicContact CE1-CG1 3.83Å; Y40-I50 PolarHBondContact OH-N 2.89Å; I50-L59 HydrophobicContact CG2-CD1 4.02Å; I50-Y60 WeakPolarHBondContact CA-O 3.47Å; I50-L61 HydrophobicContact CG1-CD1 3.76Å |
| 51 | S | 98.3 | Very high | 95.7 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 164.8 | 171.4 | 63.4 | 0 | 0 | 0 | 0 | 110.5 | Y60 | S51-Y60 PolarHBondContact N-O 2.99Å; S51-Y60 VanDerWaalsContact N-O 3.16Å; S51-Y60 PolarHBondContact O-N 3.11Å |
| 52 | R | 98.4 | Very high | 95.8 | Very high | 25 Ų | 25 | 62.3 Ų | 62.3 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 153 | -178.1 | 63.9 | -175.2 | -66 | 158.9 | 2.6 | 111.6 | F9 Y12 I31 N32 P33 S35 N54 T58 L59 | F9-R52 VanDerWaalsContact CD1-NH2 3.3Å; F9-R52 HydrophobicContact CE1-CB 4.18Å; F9-R52 HydrophobicContact CZ-CB 4.13Å; F9-R52 PolarHBondContact O-NH2 3.14Å; Y12-R52 PolarHBondContact O-NH1 3.21Å; I31-R52 HydrophobicContact CD1-CG 3.95Å; I31-R52 HydrophobicContact CG1-CG 4.39Å; I31-R52 HydrophobicContact CG2-CB 4.48Å; N32-R52 WeakPolarHBondContact O-CD 3.49Å; N32-R52 PolarHBondContact O-NH1 2.82Å; N32-R52 VanDerWaalsContact O-NH1 3.16Å; P33-R52 VanDerWaalsContact CA-NH1 3.34Å; S35-R52 WeakPolarHBondContact OG-CD 3.44Å; S35-R52 WeakPolarHBondContact OG-CG 3.4Å; R52-N54 VanDerWaalsContact CZ-OD1 3.24Å; R52-N54 PolarHBondContact NE-OD1 2.83Å; R52-N54 PolarHBondContact NH2-OD1 2.77Å; R52-T58 CarbonylContact C-O 3.58Å; R52-T58 WeakPolarHBondContact CA-O 3.5Å; R52-L59 HydrophobicContact CB-CD1 4.14Å |
| 53 | D | 98.3 | Very high | 95.9 | Very high | 42 Ų | 42 | 59.6 Ų | 59.6 | 23% | 0.225 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 104.9 | 172.1 | -176.6 | -23.8 | 0 | 0 | 0 | 108.1 | A55 K56 N57 T58 Y60 | D53-A55 VanDerWaalsContact C-N 3.33Å; D53-A55 WeakPolarHBondContact OD1-CB 3.02Å; D53-A55 PolarHBondContact OD1-N 3.14Å; D53-K56 HydrophobicContact CB-CB 4.24Å; D53-K56 CarbonylContact O-C 3.59Å; D53-K56 PolarHBondContact O-N 2.82Å; D53-K56 PolarHBondContact OD1-N 3.16Å; D53-K56 VanDerWaalsContact OD1-N 3.13Å; D53-K56 WeakPolarHBondContact OD2-CD 2.97Å; D53-K56 WeakPolarHBondContact OD2-CE 3.2Å; D53-K56 WeakPolarHBondContact OD2-CG 3.35Å; D53-K56 IonicContact OD2-NZ 2.91Å; D53-K56 PolarHBondContact OD2-NZ 2.92Å; D53-N57 PolarHBondContact O-N 3.1Å; D53-T58 PolarHBondContact N-O 2.85Å; D53-T58 PolarHBondContact O-N 2.94Å; D53-Y60 HydrophobicContact CB-CE2 3.83Å |
| 54 | N | 97.9 | Very high | 95.8 | Very high | 59 Ų | 59 | 57.5 Ų | 57.5 | 32% | 0.316 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -28.7 | -177.7 | -72.9 | -17.1 | 0 | 0 | 0 | 112.4 | F9 P33 R52 K56 N57 | F9-N54 WeakPolarHBondContact CD1-OD1 3.46Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.34Å; P33-N54 PolarHBondContact O-ND2 2.02Å; R52-N54 VanDerWaalsContact CZ-OD1 3.24Å; R52-N54 PolarHBondContact NE-OD1 2.83Å; R52-N54 PolarHBondContact NH2-OD1 2.77Å; N54-K56 PolarHBondContact O-N 2.99Å; N54-N57 PolarHBondContact O-N 2.93Å; N54-N57 PolarHBondContact O-OD1 2.85Å |
| 55 | A | 97.2 | Very high | 95.6 | Very high | 96 Ų | 96 | 65.8 Ų | 65.8 | 79% | 0.793 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -28 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D53 | D53-A55 VanDerWaalsContact C-N 3.33Å; D53-A55 WeakPolarHBondContact OD1-CB 3.02Å; D53-A55 PolarHBondContact OD1-N 3.14Å |
| 56 | K | 97.9 | Very high | 95.6 | Very high | 131 Ų | 131 | 62.7 Ų | 62.7 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 2.5 | 177.1 | -61.5 | -177.5 | -166.4 | 134 | 0 | 114 | D53 N54 T58 | D53-K56 HydrophobicContact CB-CB 4.24Å; D53-K56 CarbonylContact O-C 3.59Å; D53-K56 PolarHBondContact O-N 2.82Å; D53-K56 PolarHBondContact OD1-N 3.16Å; D53-K56 VanDerWaalsContact OD1-N 3.13Å; D53-K56 WeakPolarHBondContact OD2-CD 2.97Å; D53-K56 WeakPolarHBondContact OD2-CE 3.2Å; D53-K56 WeakPolarHBondContact OD2-CG 3.35Å; D53-K56 IonicContact OD2-NZ 2.91Å; D53-K56 PolarHBondContact OD2-NZ 2.92Å; N54-K56 PolarHBondContact O-N 2.99Å; K56-T58 PolarHBondContact O-N 3.03Å; K56-T58 VanDerWaalsContact O-N 3.11Å; K56-T58 PolarHBondContact O-OG1 2.82Å |
| 57 | N | 97.8 | Very high | 95.7 | Very high | 61 Ų | 61 | 62.4 Ų | 62.4 | 33% | 0.326 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 39.4 | -171.8 | -60.8 | -36.8 | 0 | 0 | 0 | 113 | A4 F9 D53 N54 | A4-N57 PolarHBondContact N-O 2.97Å; F9-N57 HydrophobicContact CB-CB 3.88Å; F9-N57 WeakPolarHBondContact CB-OD1 3.37Å; F9-N57 HydrophobicContact CD1-CB 4.35Å; F9-N57 HydrophobicContact CG-CB 4.12Å; D53-N57 PolarHBondContact O-N 3.1Å; N54-N57 PolarHBondContact O-N 2.93Å; N54-N57 PolarHBondContact O-OD1 2.85Å |
| 58 | T | 98.5 | Very high | 95.8 | Very high | 16 Ų | 16 | 64 Ų | 64 | 10% | 0.098 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.4 | -169.8 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | C2 R52 D53 K56 Y60 | C2-T58 CarbonylContact O-C 3.56Å; C2-T58 WeakPolarHBondContact O-CA 3.34Å; R52-T58 CarbonylContact C-O 3.58Å; R52-T58 WeakPolarHBondContact CA-O 3.5Å; D53-T58 PolarHBondContact N-O 2.85Å; D53-T58 PolarHBondContact O-N 2.94Å; K56-T58 PolarHBondContact O-N 3.03Å; K56-T58 VanDerWaalsContact O-N 3.11Å; K56-T58 PolarHBondContact O-OG1 2.82Å; T58-Y60 HydrophobicContact CG2-CD1 4.33Å; T58-Y60 HydrophobicContact CG2-CD2 4.29Å; T58-Y60 HydrophobicContact CG2-CE1 3.71Å; T58-Y60 HydrophobicContact CG2-CE2 3.66Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.34Å |
| 59 | L | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 141.2 | 170.9 | -171.4 | 71.5 | 0 | 0 | 0 | 110.4 | S1 C2 F9 M14 W16 I31 I50 R52 C76 | S1-L59 CarbonylContact C-O 3.58Å; S1-L59 WeakPolarHBondContact CA-O 3.32Å; C2-L59 HydrophobicContact CB-CB 4.43Å; C2-L59 PolarHBondContact N-O 3.27Å; C2-L59 PolarHBondContact O-N 3.24Å; F9-L59 HydrophobicContact CE2-CB 4.28Å; F9-L59 HydrophobicContact CZ-CB 4.17Å; M14-L59 HydrophobicContact CB-CD1 3.81Å; M14-L59 HydrophobicContact CB-CD2 3.89Å; M14-L59 HydrophobicContact CB-CG 4.37Å; W16-L59 HydrophobicContact CD2-CD2 4.23Å; W16-L59 HydrophobicContact CG-CD2 4.26Å; W16-L59 HydrophobicContact CZ2-CB 4.46Å; W16-L59 HydrophobicContact CZ2-CD2 4.07Å; W16-L59 HydrophobicContact CZ2-CG 4.17Å; W16-L59 VanDerWaalsContact NE1-CG 3.31Å; I31-L59 HydrophobicContact CG2-CD1 3.48Å; I31-L59 VanDerWaalsContact CG2-CD1 3.48Å; I50-L59 HydrophobicContact CG2-CD1 4.02Å; R52-L59 HydrophobicContact CB-CD1 4.14Å; L59-C76 HydrophobicContact CD2-CB 4.05Å |
| 60 | Y | 98.6 | Very high | 95.5 | Very high | 75 Ų | 75 | 65 Ų | 65 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 146.6 | 179.9 | -58.1 | -88.1 | 0 | 0 | 0 | 110.6 | W16 I50 S51 D53 T58 | W16-Y60 PolarHBondContact NE1-O 2.76Å; W16-Y60 VanDerWaalsContact NE1-O 3.14Å; I50-Y60 WeakPolarHBondContact CA-O 3.47Å; S51-Y60 PolarHBondContact N-O 2.99Å; S51-Y60 VanDerWaalsContact N-O 3.16Å; S51-Y60 PolarHBondContact O-N 3.11Å; D53-Y60 HydrophobicContact CB-CE2 3.83Å; T58-Y60 HydrophobicContact CG2-CD1 4.33Å; T58-Y60 HydrophobicContact CG2-CD2 4.29Å; T58-Y60 HydrophobicContact CG2-CE1 3.71Å; T58-Y60 HydrophobicContact CG2-CE2 3.66Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.34Å |
| 61 | L | 98 | Very high | 95.5 | Very high | 21 Ų | 21 | 66.4 Ų | 66.4 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 103 | 170.3 | -172.1 | 63.4 | 0 | 0 | 0 | 106.2 | W16 I28 F48 I50 M63 Y74 | W16-L61 HydrophobicContact CB-CD1 4.34Å; W16-L61 HydrophobicContact CB-CD2 4.17Å; W16-L61 HydrophobicContact CD2-CB 3.83Å; W16-L61 HydrophobicContact CD2-CD2 3.83Å; W16-L61 HydrophobicContact CD2-CG 4.31Å; W16-L61 HydrophobicContact CE3-CB 4.43Å; W16-L61 HydrophobicContact CE3-CD2 4Å; W16-L61 HydrophobicContact CG-CB 4.12Å; W16-L61 HydrophobicContact CG-CD1 4Å; W16-L61 HydrophobicContact CG-CD2 3.89Å; W16-L61 HydrophobicContact CG-CG 4.25Å; W16-L61 HydrophobicContact CZ2-CB 3.94Å; I28-L61 HydrophobicContact CD1-CD2 3.89Å; I28-L61 HydrophobicContact CG2-CD1 4.38Å; F48-L61 HydrophobicContact CB-CD1 3.83Å; F48-L61 HydrophobicContact CD1-CD1 4.13Å; F48-L61 HydrophobicContact CD1-CD2 4.25Å; F48-L61 HydrophobicContact CD1-CG 4.1Å; F48-L61 HydrophobicContact CG-CD1 4.25Å; I50-L61 HydrophobicContact CG1-CD1 3.76Å; L61-M63 HydrophobicContact CD2-CE 3.47Å; L61-M63 VanDerWaalsContact CD2-CE 3.47Å; L61-M63 HydrophobicContact CG-CE 4.04Å; L61-M63 HydrophobicContact CG-CG 4.36Å; L61-Y74 HydrophobicContact CD2-CD1 3.71Å; L61-Y74 HydrophobicContact CD2-CE1 4.03Å |
| 62 | Q | 97.3 | Very high | 95.4 | Very high | 118 Ų | 118 | 64.1 Ų | 64.1 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 128.5 | 171.3 | 175.7 | 176.8 | -12.1 | 0 | 0 | 108.1 | F48 I49 | F48-Q62 WeakPolarHBondContact CA-O 3.26Å; I49-Q62 HydrophobicContact CB-CB 4.22Å; I49-Q62 PolarHBondContact N-O 3.02Å; I49-Q62 PolarHBondContact O-N 2.8Å |
| 63 | M | 94.3 | Very high | 95.4 | Very high | 61 Ų | 61 | 65.4 Ų | 65.4 | 30% | 0.3 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.6 | -178 | -46.4 | -173.9 | 171.5 | 0 | 0 | 108.6 | F48 L61 V66 Y74 L94 | F48-M63 HydrophobicContact CD1-CB 4.07Å; F48-M63 HydrophobicContact CD1-CG 3.7Å; F48-M63 HydrophobicContact CD1-SD 4.45Å; F48-M63 HydrophobicContact CE1-CB 3.97Å; F48-M63 HydrophobicContact CE1-CE 4.18Å; F48-M63 HydrophobicContact CE1-CG 3.64Å; F48-M63 HydrophobicContact CE1-SD 3.84Å; L61-M63 HydrophobicContact CD2-CE 3.47Å; L61-M63 VanDerWaalsContact CD2-CE 3.47Å; L61-M63 HydrophobicContact CG-CE 4.04Å; L61-M63 HydrophobicContact CG-CG 4.36Å; M63-V66 HydrophobicContact CB-CG1 3.61Å; M63-V66 HydrophobicContact SD-CG1 4.4Å; M63-Y74 HydrophobicContact CE-CD1 3.49Å; M63-Y74 VanDerWaalsContact CE-CD1 3.49Å; M63-Y74 HydrophobicContact CE-CD2 4.21Å; M63-Y74 HydrophobicContact CE-CE1 3.36Å; M63-Y74 HydrophobicContact CE-CE2 4.13Å; M63-Y74 HydrophobicContact CE-CG 3.91Å; M63-Y74 HydrophobicContact SD-CE1 4.36Å; M63-L94 HydrophobicContact CE-CD2 4.3Å; M63-L94 HydrophobicContact SD-CD2 3.44Å; M63-L94 WeakPolarHBondContact SD-CD2 3.3Å |
| 64 | S | 89.7 | Confident | 95.4 | Very high | 44 Ų | 44 | 63.5 Ų | 63.5 | 31% | 0.308 | 33% | 0.327 | S | S | . | . | trans | -122.9 | 145.3 | 177.9 | 70 | 0 | 0 | 0 | 0 | 110.5 | K47 V66 | K47-S64 PolarHBondContact O-N 3.23Å; K47-S64 PolarHBondContact O-OG 3.23Å; S64-V66 VanDerWaalsContact C-N 3.26Å; S64-V66 PolarHBondContact O-N 3.09Å | ||
| 65 | K | 86.3 | Confident | 95.5 | Very high | 180 Ų | 180 | 62.5 Ų | 62.5 | 78% | 0.783 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 52.9 | 42.5 | 179.5 | -55 | 174.4 | -178 | 171.7 | 0 | 113 | ||
| 66 | V | 89.7 | Confident | 95.5 | Very high | 62 Ų | 62 | 58.5 Ų | 58.5 | 38% | 0.376 | 29% | 0.285 | S | S | . | . | trans | -58.6 | 138.7 | 178.4 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | M63 S64 V96 | M63-V66 HydrophobicContact CB-CG1 3.61Å; M63-V66 HydrophobicContact SD-CG1 4.4Å; S64-V66 VanDerWaalsContact C-N 3.26Å; S64-V66 PolarHBondContact O-N 3.09Å; V66-V96 HydrophobicContact CB-CG2 4.21Å; V66-V96 HydrophobicContact CG2-CG1 4.46Å; V66-V96 HydrophobicContact CG2-CG2 4.36Å | ||
| 67 | R | 92.7 | Very high | 95.4 | Very high | 143 Ų | 143 | 52.3 Ų | 52.3 | 54% | 0.54 | 26% | 0.258 | S | S | . | . | trans | -127.8 | 171.3 | 179.5 | -68.5 | 172.1 | -178.8 | -170.5 | -0 | 110.4 | E69 D70 V96 | R67-E69 VanDerWaalsContact CB-CD 3.47Å; R67-E69 HydrophobicContact CB-CG 3.88Å; R67-E69 WeakPolarHBondContact CB-OE2 3.21Å; R67-E69 VanDerWaalsContact CD-OE1 3.22Å; R67-E69 WeakPolarHBondContact CD-OE1 3.4Å; R67-E69 WeakPolarHBondContact CD-OE2 3.31Å; R67-E69 IonicContact NH1-OE1 3.4Å; R67-E69 PolarHBondContact O-N 2.76Å; R67-E69 VanDerWaalsContact O-N 3.17Å; R67-D70 PolarHBondContact N-OD2 3.09Å; R67-D70 WeakPolarHBondContact O-CB 3.47Å; R67-D70 PolarHBondContact O-N 2.84Å; R67-V96 WeakPolarHBondContact O-CB 3.21Å | ||
| 68 | S | 93.6 | Very high | 95.3 | Very high | 75 Ų | 75 | 50.3 Ų | 50.3 | 52% | 0.524 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -55.4 | -33.9 | 178.5 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | D70 T71 V96 | S68-D70 PolarHBondContact O-N 2.82Å; S68-T71 VanDerWaalsContact O-CB 3.28Å; S68-T71 WeakPolarHBondContact O-CB 3.25Å; S68-T71 PolarHBondContact O-N 3.13Å; S68-T71 VanDerWaalsContact O-N 3.09Å; S68-T71 PolarHBondContact O-OG1 2.99Å; S68-T71 VanDerWaalsContact O-OG1 3.05Å; S68-V96 WeakPolarHBondContact CA-O 3.48Å |
| 69 | E | 91.8 | Very high | 94.9 | Very high | 102 Ų | 102 | 50.1 Ų | 50.1 | 48% | 0.477 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -62 | -18.6 | 174 | 69.6 | -133 | -146.8 | 0 | 0 | 114.7 | K47 R67 T71 | K47-E69 IonicContact NZ-OE1 3.9Å; K47-E69 PolarHBondContact NZ-OE1 3.36Å; R67-E69 VanDerWaalsContact CB-CD 3.47Å; R67-E69 HydrophobicContact CB-CG 3.88Å; R67-E69 WeakPolarHBondContact CB-OE2 3.21Å; R67-E69 VanDerWaalsContact CD-OE1 3.22Å; R67-E69 WeakPolarHBondContact CD-OE1 3.4Å; R67-E69 WeakPolarHBondContact CD-OE2 3.31Å; R67-E69 IonicContact NH1-OE1 3.4Å; R67-E69 PolarHBondContact O-N 2.76Å; R67-E69 VanDerWaalsContact O-N 3.17Å; E69-T71 VanDerWaalsContact C-N 3.31Å |
| 70 | D | 93.8 | Very high | 94 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.011 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -90.9 | 4.3 | 178.2 | -58.7 | -54.2 | 0 | 0 | 0 | 111.7 | R18 K47 R67 S68 A72 Y74 | R18-D70 IonicContact NH1-OD1 3.21Å; R18-D70 PolarHBondContact NH1-OD1 3.12Å; K47-D70 IonicContact NZ-OD1 3.02Å; K47-D70 PolarHBondContact NZ-OD1 2.73Å; K47-D70 IonicContact NZ-OD2 2.84Å; K47-D70 PolarHBondContact NZ-OD2 3.16Å; R67-D70 PolarHBondContact N-OD2 3.09Å; R67-D70 WeakPolarHBondContact O-CB 3.47Å; R67-D70 PolarHBondContact O-N 2.84Å; S68-D70 PolarHBondContact O-N 2.82Å; D70-A72 PolarHBondContact O-N 3.05Å; D70-A72 VanDerWaalsContact O-N 3.14Å; D70-Y74 PolarHBondContact O-OH 3.12Å |
| 71 | T | 96.6 | Very high | 92.8 | Very high | 31 Ų | 31 | 54.5 Ų | 54.5 | 19% | 0.19 | 28% | 0.276 | C | S | . | . | trans | -63.8 | 113.1 | 170.4 | -66.2 | 0 | 0 | 0 | 0 | 110 | P21 S68 E69 L94 T95 V96 | P21-T71 WeakPolarHBondContact CD-O 3.42Å; P21-T71 HydrophobicContact CG-CG2 4.47Å; S68-T71 VanDerWaalsContact O-CB 3.28Å; S68-T71 WeakPolarHBondContact O-CB 3.25Å; S68-T71 PolarHBondContact O-N 3.13Å; S68-T71 VanDerWaalsContact O-N 3.09Å; S68-T71 PolarHBondContact O-OG1 2.99Å; S68-T71 VanDerWaalsContact O-OG1 3.05Å; E69-T71 VanDerWaalsContact C-N 3.31Å; T71-L94 WeakPolarHBondContact CA-O 3.46Å; T71-T95 HydrophobicContact CG2-CG2 4.36Å; T71-V96 PolarHBondContact OG1-N 3.04Å; T71-V96 PolarHBondContact OG1-O 3.2Å | ||
| 72 | A | 97.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 3% | 0.025 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 167.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R18 Q19 A20 D70 Y74 L94 | R18-A72 HydrophobicContact CB-CB 4Å; R18-A72 HydrophobicContact CG-CB 4.47Å; Q19-A72 WeakPolarHBondContact O-CA 3.44Å; Q19-A72 WeakPolarHBondContact O-CB 3.42Å; A20-A72 HydrophobicContact CB-CB 4.48Å; D70-A72 PolarHBondContact O-N 3.05Å; D70-A72 VanDerWaalsContact O-N 3.14Å; A72-Y74 HydrophobicContact CB-CD2 4.23Å; A72-Y74 HydrophobicContact CB-CE2 3.75Å; A72-Y74 WeakPolarHBondContact O-CD2 3.18Å; A72-L94 PolarHBondContact N-O 2.93Å; A72-L94 VanDerWaalsContact N-O 3.1Å; A72-L94 PolarHBondContact O-N 2.58Å |
| 73 | L | 98.2 | Very high | 89.7 | Confident | 51 Ų | 51 | 59.7 Ų | 59.7 | 27% | 0.267 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 128.7 | 162.1 | -135.6 | 131.7 | 0 | 0 | 0 | 109.1 | R18 Q19 Y75 T92 T93 | R18-L73 CarbonylContact C-O 3.47Å; R18-L73 WeakPolarHBondContact CA-O 3.39Å; Q19-L73 PolarHBondContact N-O 2.94Å; Q19-L73 PolarHBondContact O-N 3.17Å; L73-Y75 HydrophobicContact CB-CE2 4.02Å; L73-Y75 HydrophobicContact CD2-CD1 4.08Å; L73-Y75 HydrophobicContact CD2-CE1 3.3Å; L73-Y75 HydrophobicContact CD2-CE2 3.92Å; L73-Y75 WeakPolarHBondContact CD2-OH 3.46Å; L73-T92 CarbonylContact C-O 3.59Å; L73-T92 WeakPolarHBondContact CA-O 3.12Å; L73-T93 WeakPolarHBondContact CD1-OG1 3.24Å |
| 74 | Y | 98.3 | Very high | 89.1 | Confident | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125 | -176.2 | -73.9 | -100.2 | 0 | 0 | 0 | 110.4 | V17 R18 I28 F48 L61 M63 D70 A72 G91 T92 L94 | V17-Y74 CarbonylContact O-C 3.56Å; R18-Y74 HydrophobicContact CB-CD1 3.89Å; R18-Y74 HydrophobicContact CB-CE1 3.9Å; R18-Y74 HydrophobicContact CB-CG 4.26Å; I28-Y74 HydrophobicContact CD1-CD1 3.71Å; I28-Y74 HydrophobicContact CD1-CE1 3.57Å; F48-Y74 HydrophobicContact CE1-CE1 4.07Å; F48-Y74 HydrophobicContact CZ-CE1 4.21Å; L61-Y74 HydrophobicContact CD2-CD1 3.71Å; L61-Y74 HydrophobicContact CD2-CE1 4.03Å; M63-Y74 HydrophobicContact CE-CD1 3.49Å; M63-Y74 VanDerWaalsContact CE-CD1 3.49Å; M63-Y74 HydrophobicContact CE-CD2 4.21Å; M63-Y74 HydrophobicContact CE-CE1 3.36Å; M63-Y74 HydrophobicContact CE-CE2 4.13Å; M63-Y74 HydrophobicContact CE-CG 3.91Å; M63-Y74 HydrophobicContact SD-CE1 4.36Å; D70-Y74 PolarHBondContact O-OH 3.12Å; A72-Y74 HydrophobicContact CB-CD2 4.23Å; A72-Y74 HydrophobicContact CB-CE2 3.75Å; A72-Y74 WeakPolarHBondContact O-CD2 3.18Å; Y74-G91 CarbonylContact O-C 3.4Å; Y74-G91 WeakPolarHBondContact O-CA 3.4Å; Y74-T92 PolarHBondContact N-O 2.72Å; Y74-T92 PolarHBondContact O-N 3.43Å; Y74-L94 HydrophobicContact CD2-CB 3.97Å; Y74-L94 HydrophobicContact CE2-CB 3.79Å; Y74-L94 HydrophobicContact CE2-CD2 4.05Å |
| 75 | Y | 98.4 | Very high | 89.2 | Confident | 38 Ų | 38 | 62.2 Ų | 62.2 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 139.8 | -178.2 | -50.6 | -90.5 | 0 | 0 | 0 | 110 | W16 V17 Q19 L25 L73 W88 G91 | W16-Y75 WeakPolarHBondContact CA-O 3.34Å; V17-Y75 PolarHBondContact N-O 3.12Å; V17-Y75 PolarHBondContact O-N 3.23Å; Q19-Y75 HydrophobicContact CB-CE2 3.92Å; Q19-Y75 PolarHBondContact OE1-OH 3.09Å; Q19-Y75 VanDerWaalsContact OE1-OH 3.13Å; L25-Y75 HydrophobicContact CD2-CD2 4.41Å; L25-Y75 HydrophobicContact CD2-CE2 4.07Å; L73-Y75 HydrophobicContact CB-CE2 4.02Å; L73-Y75 HydrophobicContact CD2-CD1 4.08Å; L73-Y75 HydrophobicContact CD2-CE1 3.3Å; L73-Y75 HydrophobicContact CD2-CE2 3.92Å; L73-Y75 WeakPolarHBondContact CD2-OH 3.46Å; Y75-W88 HydrophobicContact CG-CE3 4.25Å; Y75-W88 HydrophobicContact CG-CZ3 4.4Å; Y75-G91 VanDerWaalsContact CD1-CA 3.43Å |
| 76 | C | 97.6 | Very high | 89.4 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 145.9 | 159 | 54.3 | 0 | 0 | 0 | 0 | 108.9 | C2 S15 W16 L59 G89 | C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.47Å; C2-C76 WeakPolarHBondContact SG-CB 3.32Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 3.32Å; S15-C76 CarbonylContact O-C 3.45Å; S15-C76 VanDerWaalsContact O-CA 3.31Å; S15-C76 WeakPolarHBondContact O-CA 3.45Å; W16-C76 HydrophobicContact CE3-CB 4.31Å; W16-C76 HydrophobicContact CH2-CB 4.11Å; W16-C76 HydrophobicContact CZ2-CB 4.36Å; W16-C76 HydrophobicContact CZ3-CB 4.09Å; L59-C76 HydrophobicContact CD2-CB 4.05Å; C76-G89 PolarHBondContact O-N 2.82Å |
| 77 | A | 96.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 151.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | M14 S15 F85 Y87 W88 | M14-A77 WeakPolarHBondContact CA-O 3.39Å; M14-A77 WeakPolarHBondContact CE-O 3.34Å; S15-A77 PolarHBondContact N-O 3.37Å; S15-A77 PolarHBondContact O-N 3.21Å; A77-F85 HydrophobicContact CB-CB 4.1Å; A77-F85 HydrophobicContact CB-CD1 3.55Å; A77-F85 HydrophobicContact CB-CE1 4.06Å; A77-F85 HydrophobicContact CB-CG 3.85Å; A77-Y87 CarbonylContact C-O 3.4Å; A77-Y87 WeakPolarHBondContact CA-O 3.16Å; A77-W88 HydrophobicContact CB-CD2 4Å; A77-W88 HydrophobicContact CB-CE3 4.04Å; A77-W88 HydrophobicContact CB-CG 4.49Å; A77-W88 HydrophobicContact CB-CZ3 4.32Å |
| 78 | R | 95.6 | Very high | 89.7 | Confident | 19 Ų | 19 | 57 Ų | 57 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 133.7 | 173.6 | -173.2 | -174.3 | 81.8 | 164.5 | 13.8 | 110 | F7 Y12 M14 F85 D86 Y87 | F7-R78 HydrophobicContact CE2-CG 4.05Å; F7-R78 HydrophobicContact CZ-CB 4.29Å; F7-R78 HydrophobicContact CZ-CG 4.26Å; Y12-R78 HydrophobicContact CD1-CG 4.21Å; Y12-R78 HydrophobicContact CG-CG 3.89Å; M14-R78 HydrophobicContact CE-CB 4.28Å; M14-R78 HydrophobicContact SD-CB 4Å; M14-R78 HydrophobicContact SD-CG 3.95Å; R78-F85 WeakPolarHBondContact O-CA 3.41Å; R78-D86 IonicContact CZ-OD1 3.23Å; R78-D86 IonicContact CZ-OD2 2.55Å; R78-D86 IonicContact NE-OD1 2.86Å; R78-D86 PolarHBondContact NE-OD1 3.22Å; R78-D86 IonicContact NE-OD2 3.43Å; R78-D86 VanDerWaalsContact NH2-CG 3.27Å; R78-D86 IonicContact NH2-OD1 2.93Å; R78-D86 PolarHBondContact NH2-OD1 2.63Å; R78-D86 IonicContact NH2-OD2 3.74Å; R78-D86 PolarHBondContact NH2-OD2 3.03Å; R78-Y87 PolarHBondContact N-O 2.84Å; R78-Y87 VanDerWaalsContact NE-CD2 3.33Å |
| 79 | D | 90.6 | Very high | 89.8 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 6% | 0.064 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 128.1 | 175 | -74.9 | -63.6 | 0 | 0 | 0 | 111.2 | W13 S15 F85 | W13-D79 HydrophobicContact CB-CB 3.58Å; W13-D79 PolarHBondContact O-N 3.04Å; S15-D79 WeakPolarHBondContact CB-OD2 3.39Å; S15-D79 PolarHBondContact OG-OD2 2.8Å; D79-F85 VanDerWaalsContact CG-CE1 3.48Å; D79-F85 WeakPolarHBondContact OD1-CD1 3.18Å; D79-F85 WeakPolarHBondContact OD1-CE1 3.35Å |
| 80 | I | 79.5 | Confident | 90 | Very high | 79 Ų | 79 | 58.6 Ų | 58.6 | 41% | 0.405 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -35 | 170.9 | -40.4 | 164.6 | 0 | 0 | 0 | 111.4 | H84 D86 | I80-H84 PolarHBondContact N-O 3.13Å; I80-D86 HydrophobicContact CD1-CB 3.48Å; I80-D86 VanDerWaalsContact CD1-CB 3.48Å; I80-D86 WeakPolarHBondContact CD1-OD1 3.46Å; I80-D86 WeakPolarHBondContact CD1-OD2 3.21Å; I80-D86 HydrophobicContact CG1-CB 4.24Å; I80-D86 VanDerWaalsContact CG1-CG 3.42Å; I80-D86 WeakPolarHBondContact CG1-OD1 3.42Å |
| 81 | T | 72.1 | Confident | 90.2 | Very high | 88 Ų | 88 | 60 Ų | 60 | 54% | 0.54 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 172.4 | 179 | 62.5 | 0 | 0 | 0 | 0 | 109.2 | A83 H84 | T81-A83 PolarHBondContact O-N 3.42Å; T81-H84 PolarHBondContact O-N 3.34Å |
| 82 | T | 64.8 | Low | 90.2 | Very high | 155 Ų | 155 | 62.7 Ų | 62.7 | 95% | 0.951 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -0.3 | -175.4 | 37.5 | 0 | 0 | 0 | 0 | 116.5 | ||
| 83 | A | 66.1 | Low | 90.2 | Very high | 94 Ų | 94 | 66.8 Ų | 66.8 | 78% | 0.777 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -152.2 | 15.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T81 | T81-A83 PolarHBondContact O-N 3.42Š|
| 84 | H | 82.3 | Confident | 90.1 | Very high | 108 Ų | 108 | 66.8 Ų | 66.8 | 50% | 0.5 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 118.5 | -174.8 | -165 | 56.8 | 0 | 0 | 0 | 114.1 | I80 T81 | I80-H84 PolarHBondContact N-O 3.13Å; T81-H84 PolarHBondContact O-N 3.34Å |
| 85 | F | 90.5 | Very high | 90 | Very high | 49 Ų | 49 | 71.6 Ų | 71.6 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 116.3 | 170.9 | -55.4 | -63.5 | 0 | 0 | 0 | 110.4 | S15 V17 W27 A77 R78 D79 W88 | S15-F85 VanDerWaalsContact CB-CE1 3.41Å; S15-F85 WeakPolarHBondContact OG-CE1 3.25Å; V17-F85 HydrophobicContact CG2-CE2 4.27Å; V17-F85 HydrophobicContact CG2-CZ 4.26Å; W27-F85 AromaticContact CD1-CZ 3.84Å; A77-F85 HydrophobicContact CB-CB 4.1Å; A77-F85 HydrophobicContact CB-CD1 3.55Å; A77-F85 HydrophobicContact CB-CE1 4.06Å; A77-F85 HydrophobicContact CB-CG 3.85Å; R78-F85 WeakPolarHBondContact O-CA 3.41Å; D79-F85 VanDerWaalsContact CG-CE1 3.48Å; D79-F85 WeakPolarHBondContact OD1-CD1 3.18Å; D79-F85 WeakPolarHBondContact OD1-CE1 3.35Å; F85-W88 HydrophobicContact CB-CZ2 3.72Å; F85-W88 VanDerWaalsContact CB-NE1 3.32Å; F85-W88 AromaticContact CD2-CH2 3.84Å; F85-W88 HydrophobicContact CD2-CH2 3.84Å; F85-W88 AromaticContact CD2-CZ2 3.33Å; F85-W88 HydrophobicContact CD2-CZ2 3.33Å; F85-W88 HydrophobicContact CE2-CH2 4.24Å; F85-W88 HydrophobicContact CE2-CZ2 4.16Å; F85-W88 HydrophobicContact CG-CH2 4.46Å; F85-W88 AromaticContact CG-CZ2 3.78Å; F85-W88 HydrophobicContact CG-CZ2 3.78Å; F85-W88 PolarHBondContact O-NE1 2.86Å |
| 86 | D | 90.6 | Very high | 89.8 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 31% | 0.31 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -19.3 | 176.4 | 65.9 | -30 | 0 | 0 | 0 | 114.4 | R78 I80 | R78-D86 IonicContact CZ-OD1 3.23Å; R78-D86 IonicContact CZ-OD2 2.55Å; R78-D86 IonicContact NE-OD1 2.86Å; R78-D86 PolarHBondContact NE-OD1 3.22Å; R78-D86 IonicContact NE-OD2 3.43Å; R78-D86 VanDerWaalsContact NH2-CG 3.27Å; R78-D86 IonicContact NH2-OD1 2.93Å; R78-D86 PolarHBondContact NH2-OD1 2.63Å; R78-D86 IonicContact NH2-OD2 3.74Å; R78-D86 PolarHBondContact NH2-OD2 3.03Å; I80-D86 HydrophobicContact CD1-CB 3.48Å; I80-D86 VanDerWaalsContact CD1-CB 3.48Å; I80-D86 WeakPolarHBondContact CD1-OD1 3.46Å; I80-D86 WeakPolarHBondContact CD1-OD2 3.21Å; I80-D86 HydrophobicContact CG1-CB 4.24Å; I80-D86 VanDerWaalsContact CG1-CG 3.42Å; I80-D86 WeakPolarHBondContact CG1-OD1 3.42Å |
| 87 | Y | 92.8 | Very high | 89.4 | Confident | 120 Ų | 120 | 75.7 Ų | 75.7 | 47% | 0.471 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.4 | 171.7 | -67.9 | -87.8 | 0 | 0 | 0 | 110.8 | A77 R78 | A77-Y87 CarbonylContact C-O 3.4Å; A77-Y87 WeakPolarHBondContact CA-O 3.16Å; R78-Y87 PolarHBondContact N-O 2.84Å; R78-Y87 VanDerWaalsContact NE-CD2 3.33Å |
| 88 | W | 96.1 | Very high | 88.6 | Confident | 98 Ų | 98 | 84.1 Ų | 84.1 | 37% | 0.371 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137.8 | 176.1 | -69.1 | 78.4 | 0 | 0 | 0 | 109.8 | V17 L25 Y75 A77 F85 | V17-W88 HydrophobicContact CB-CH2 4.18Å; V17-W88 HydrophobicContact CB-CZ3 3.81Å; V17-W88 HydrophobicContact CG1-CH2 4.08Å; V17-W88 HydrophobicContact CG1-CZ3 3.96Å; V17-W88 HydrophobicContact CG2-CH2 3.87Å; V17-W88 HydrophobicContact CG2-CZ3 3.88Å; L25-W88 HydrophobicContact CD1-CH2 3.91Å; L25-W88 HydrophobicContact CD1-CZ2 4.5Å; L25-W88 HydrophobicContact CD1-CZ3 4.44Å; Y75-W88 HydrophobicContact CG-CE3 4.25Å; Y75-W88 HydrophobicContact CG-CZ3 4.4Å; A77-W88 HydrophobicContact CB-CD2 4Å; A77-W88 HydrophobicContact CB-CE3 4.04Å; A77-W88 HydrophobicContact CB-CG 4.49Å; A77-W88 HydrophobicContact CB-CZ3 4.32Å; F85-W88 HydrophobicContact CB-CZ2 3.72Å; F85-W88 VanDerWaalsContact CB-NE1 3.32Å; F85-W88 AromaticContact CD2-CH2 3.84Å; F85-W88 HydrophobicContact CD2-CH2 3.84Å; F85-W88 AromaticContact CD2-CZ2 3.33Å; F85-W88 HydrophobicContact CD2-CZ2 3.33Å; F85-W88 HydrophobicContact CE2-CH2 4.24Å; F85-W88 HydrophobicContact CE2-CZ2 4.16Å; F85-W88 HydrophobicContact CG-CH2 4.46Å; F85-W88 AromaticContact CG-CZ2 3.78Å; F85-W88 HydrophobicContact CG-CZ2 3.78Å; F85-W88 PolarHBondContact O-NE1 2.86Å |
| 89 | G | 96.4 | Very high | 88.2 | Confident | 25 Ų | 25 | 87.4 Ų | 87.4 | 26% | 0.258 | 51% | 0.51 | S | S | . | . | trans | -67.1 | 157.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | C76 G91 | C76-G89 PolarHBondContact O-N 2.82Å; G89-G91 PolarHBondContact O-N 2.99Å; G89-G91 VanDerWaalsContact O-N 3.07Å | ||
| 90 | Q | 96.4 | Very high | 88.1 | Confident | 185 Ų | 185 | 91.4 Ų | 91.4 | 86% | 0.864 | 53% | 0.534 | S | S | * | . | trans | -63 | -15 | 175.5 | -63 | -60 | -46.5 | 0 | 0 | 113.3 | ||||
| 91 | G | 96.8 | Very high | 88.6 | Confident | 32 Ų | 32 | 92.1 Ų | 92.1 | 33% | 0.33 | 54% | 0.541 | S | S | . | . | trans | 83.3 | 163.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y74 Y75 G89 | Y74-G91 CarbonylContact O-C 3.4Å; Y74-G91 WeakPolarHBondContact O-CA 3.4Å; Y75-G91 VanDerWaalsContact CD1-CA 3.43Å; G89-G91 PolarHBondContact O-N 2.99Å; G89-G91 VanDerWaalsContact O-N 3.07Å | ||
| 92 | T | 97.8 | Very high | 89.6 | Confident | 88 Ų | 88 | 92.3 Ų | 92.3 | 54% | 0.54 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 136.1 | 176 | -170.8 | 0 | 0 | 0 | 0 | 110.1 | L73 Y74 | L73-T92 CarbonylContact C-O 3.59Å; L73-T92 WeakPolarHBondContact CA-O 3.12Å; Y74-T92 PolarHBondContact N-O 2.72Å; Y74-T92 PolarHBondContact O-N 3.43Å |
| 93 | T | 97.4 | Very high | 91.1 | Very high | 88 Ų | 88 | 88.4 Ų | 88.4 | 54% | 0.54 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 125.5 | 178.7 | -53.2 | 0 | 0 | 0 | 0 | 109.8 | L73 | L73-T93 WeakPolarHBondContact CD1-OG1 3.24Å |
| 94 | L | 95.8 | Very high | 92.8 | Very high | 52 Ų | 52 | 88 Ų | 88 | 27% | 0.272 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125 | 164.2 | 177.7 | 66.1 | 0 | 0 | 0 | 108.5 | M63 T71 A72 Y74 V96 | M63-L94 HydrophobicContact CE-CD2 4.3Å; M63-L94 HydrophobicContact SD-CD2 3.44Å; M63-L94 WeakPolarHBondContact SD-CD2 3.3Å; T71-L94 WeakPolarHBondContact CA-O 3.46Å; A72-L94 PolarHBondContact N-O 2.93Å; A72-L94 VanDerWaalsContact N-O 3.1Å; A72-L94 PolarHBondContact O-N 2.58Å; Y74-L94 HydrophobicContact CD2-CB 3.97Å; Y74-L94 HydrophobicContact CE2-CB 3.79Å; Y74-L94 HydrophobicContact CE2-CD2 4.05Å; L94-V96 HydrophobicContact CD1-CG2 4.42Å; L94-V96 HydrophobicContact CD2-CG2 4.17Å; L94-V96 HydrophobicContact CG-CG2 4Å |
| 95 | T | 96 | Very high | 93.5 | Very high | 104 Ų | 104 | 86.6 Ų | 86.6 | 64% | 0.638 | 50% | 0.498 | S | S | * | . | trans | -114.6 | 126.5 | 172.6 | -55.7 | 0 | 0 | 0 | 0 | 109.2 | T71 | T71-T95 HydrophobicContact CG2-CG2 4.36Š| ||
| 96 | V | 93.4 | Very high | 93.8 | Very high | 28 Ų | 28 | 89.5 Ų | 89.5 | 17% | 0.17 | 52% | 0.52 | C | S | . | . | trans | -120.3 | 116 | 177.8 | -173.4 | 0 | 0 | 0 | 0 | 107.8 | V66 R67 S68 T71 L94 | V66-V96 HydrophobicContact CB-CG2 4.21Å; V66-V96 HydrophobicContact CG2-CG1 4.46Å; V66-V96 HydrophobicContact CG2-CG2 4.36Å; R67-V96 WeakPolarHBondContact O-CB 3.21Å; S68-V96 WeakPolarHBondContact CA-O 3.48Å; T71-V96 PolarHBondContact OG1-N 3.04Å; T71-V96 PolarHBondContact OG1-O 3.2Å; L94-V96 HydrophobicContact CD1-CG2 4.42Å; L94-V96 HydrophobicContact CD2-CG2 4.17Å; L94-V96 HydrophobicContact CG-CG2 4Å | ||
| 97 | S | 89.5 | Confident | 94 | Very high | 106 Ų | 106 | 92.1 Ų | 92.1 | 74% | 0.741 | 54% | 0.537 | S | S | * | . | trans | -102.1 | 152.6 | 171.9 | 56.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 98 | S | 79.8 | Confident | 94.1 | Very high | 179 Ų | 179 | 89.5 Ų | 89.5 | 100% | 1.252 | 54% | 0.543 | S | S | * | . | trans | -71.6 | 0 | 172 | 56.8 | 0 | 0 | 0 | 0 | 112.8 |
Retrieved 98 of 98 residues in 21 ms
(Link to these results)