| 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 | 97.3 | Very high | 95.7 | Very high | 108 Ų | 108 | 69.6 Ų | 69.6 | 76% | 0.755 | 45% | 0.446 | S | S | * | . | 0 | 168.7 | 0 | 49.6 | 0 | 0 | 0 | 0 | 108.9 | L59 | S1-L59 CarbonylContact C-O 3.44Å; S1-L59 WeakPolarHBondContact CA-O 3.33Å | |||
| 2 | C | 97.9 | Very high | 95.7 | Very high | 21 Ų | 21 | 70.7 Ų | 70.7 | 14% | 0.142 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 114.2 | 175.8 | 164.4 | 0 | 0 | 0 | 0 | 109.2 | W16 T58 L59 C76 | C2-W16 HydrophobicContact CB-CH2 3.72Å; C2-W16 HydrophobicContact CB-CZ2 3.94Å; C2-T58 CarbonylContact O-C 3.56Å; C2-T58 WeakPolarHBondContact O-CA 3.34Å; C2-L59 HydrophobicContact CB-CB 4.44Å; C2-L59 PolarHBondContact N-O 3.13Å; C2-L59 PolarHBondContact O-N 3.32Å; C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.29Å; C2-C76 WeakPolarHBondContact SG-CB 3.43Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3.4Å |
| 3 | A | 97.8 | Very high | 95.9 | Very high | 78 Ų | 78 | 71.5 Ų | 71.5 | 65% | 0.645 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 127.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 4 | A | 96.2 | Very high | 96 | Very high | 18 Ų | 18 | 66.6 Ų | 66.6 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | trans | -93.3 | 145.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F7 F9 N57 | A4-F7 HydrophobicContact CB-CE1 3.98Å; A4-F7 HydrophobicContact CB-CE2 4.34Å; A4-F7 HydrophobicContact CB-CZ 3.64Å; A4-F9 HydrophobicContact CB-CB 4.24Å; A4-F9 HydrophobicContact CB-CD2 3.45Å; A4-F9 VanDerWaalsContact CB-CD2 3.45Å; A4-F9 HydrophobicContact CB-CE2 4.15Å; A4-F9 HydrophobicContact CB-CG 4.2Å; A4-N57 PolarHBondContact N-O 2.97Å | ||
| 5 | S | 94.9 | Very high | 96.1 | Very high | 104 Ų | 104 | 62.2 Ų | 62.2 | 73% | 0.727 | 37% | 0.371 | S | S | * | . | trans | -146 | 160 | 173.1 | 60.6 | 0 | 0 | 0 | 0 | 109.8 | F7 | S5-F7 VanDerWaalsContact C-N 3.35Å; S5-F7 WeakPolarHBondContact O-CD1 3.47Å; S5-F7 PolarHBondContact O-N 3.25Å | ||
| 6 | G | 93.6 | Very high | 96.3 | Very high | 84 Ų | 84 | 58.9 Ų | 58.9 | 87% | 0.866 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 83.1 | 1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 7 | F | 92.6 | Very high | 96.4 | Very high | 42 Ų | 42 | 55.6 Ų | 55.6 | 18% | 0.184 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -154 | 163.6 | 172.9 | 62.8 | -85.2 | 0 | 0 | 0 | 111.5 | A4 S5 F9 Y12 M14 R78 | A4-F7 HydrophobicContact CB-CE1 3.98Å; A4-F7 HydrophobicContact CB-CE2 4.34Å; A4-F7 HydrophobicContact CB-CZ 3.64Å; S5-F7 VanDerWaalsContact C-N 3.35Å; S5-F7 WeakPolarHBondContact O-CD1 3.47Å; S5-F7 PolarHBondContact O-N 3.25Å; F7-F9 HydrophobicContact CE2-CB 4.29Å; F7-F9 HydrophobicContact CE2-CD2 4.33Å; F7-F9 PolarHBondContact O-N 3.38Å; F7-Y12 AromaticContact CD2-CD2 3.7Å; F7-Y12 HydrophobicContact CD2-CD2 3.7Å; F7-Y12 HydrophobicContact CD2-CE2 4.14Å; F7-Y12 HydrophobicContact CE2-CD2 4.24Å; F7-M14 HydrophobicContact CE2-SD 4.04Å; F7-M14 HydrophobicContact CZ-CE 4.22Å; F7-M14 HydrophobicContact CZ-SD 4.09Å; F7-R78 HydrophobicContact CE2-CB 4.47Å; F7-R78 HydrophobicContact CE2-CG 4.01Å; F7-R78 HydrophobicContact CZ-CB 4.2Å; F7-R78 HydrophobicContact CZ-CG 4.23Å |
| 8 | D | 94.9 | Very high | 96.4 | Very high | 77 Ų | 77 | 53.8 Ų | 53.8 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | trans | -74.3 | 89.7 | 173.7 | -177.8 | -2.4 | 0 | 0 | 0 | 110.4 | S10 R11 Y12 | D8-S10 PolarHBondContact O-N 3.19Å; D8-S10 VanDerWaalsContact O-N 3.12Å; D8-S10 WeakPolarHBondContact OD1-CB 3.1Å; D8-S10 PolarHBondContact OD1-N 3Å; D8-S10 PolarHBondContact OD1-OG 3.12Å; D8-R11 HydrophobicContact CB-CG 4.44Å; D8-R11 PolarHBondContact O-N 2.98Å; D8-R11 WeakPolarHBondContact OD2-CD 3.33Å; D8-R11 VanDerWaalsContact OD2-CG 3.27Å; D8-R11 WeakPolarHBondContact OD2-CG 3.33Å; D8-R11 IonicContact OD2-NE 3.76Å; D8-Y12 WeakPolarHBondContact O-CD2 3.33Å | ||
| 9 | F | 96.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -51.1 | -36.5 | -178.2 | 176.2 | -97.2 | 0 | 0 | 0 | 112.9 | A4 F7 R11 Y12 M14 R52 N54 N57 L59 | A4-F9 HydrophobicContact CB-CB 4.24Å; A4-F9 HydrophobicContact CB-CD2 3.45Å; A4-F9 VanDerWaalsContact CB-CD2 3.45Å; A4-F9 HydrophobicContact CB-CE2 4.15Å; A4-F9 HydrophobicContact CB-CG 4.2Å; F7-F9 HydrophobicContact CE2-CB 4.29Å; F7-F9 HydrophobicContact CE2-CD2 4.33Å; F7-F9 PolarHBondContact O-N 3.38Å; F9-R11 PolarHBondContact O-N 3.42Å; F9-R11 VanDerWaalsContact O-N 3.14Å; F9-Y12 PolarHBondContact O-N 3.08Å; F9-M14 HydrophobicContact CD2-CE 4.26Å; F9-M14 HydrophobicContact CD2-CG 4Å; F9-M14 HydrophobicContact CD2-SD 3.94Å; F9-M14 HydrophobicContact CE2-CB 4.47Å; F9-M14 HydrophobicContact CE2-CE 3.97Å; F9-M14 HydrophobicContact CE2-CG 3.5Å; F9-M14 VanDerWaalsContact CE2-CG 3.5Å; F9-M14 HydrophobicContact CE2-SD 3.92Å; F9-M14 HydrophobicContact CZ-CG 4.05Å; F9-R52 VanDerWaalsContact CD1-NH2 3.32Å; F9-R52 HydrophobicContact CE1-CB 4.18Å; F9-R52 VanDerWaalsContact CE1-NH2 3.26Å; F9-R52 HydrophobicContact CZ-CB 4.12Å; F9-R52 PolarHBondContact O-NH2 2.89Å; F9-N54 WeakPolarHBondContact CD1-OD1 3.42Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.07Å; F9-N57 HydrophobicContact CB-CB 3.9Å; F9-N57 WeakPolarHBondContact CB-OD1 3.42Å; F9-N57 HydrophobicContact CD1-CB 4.39Å; F9-N57 HydrophobicContact CG-CB 4.16Å; F9-L59 HydrophobicContact CE2-CB 4.25Å; F9-L59 HydrophobicContact CZ-CB 4.17Å |
| 10 | S | 96.1 | Very high | 96.5 | Very high | 46 Ų | 46 | 53.3 Ų | 53.3 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -64.4 | -18.7 | -176.8 | 77.2 | 0 | 0 | 0 | 0 | 113.6 | D8 P33 | D8-S10 PolarHBondContact O-N 3.19Å; D8-S10 VanDerWaalsContact O-N 3.12Å; D8-S10 WeakPolarHBondContact OD1-CB 3.1Å; D8-S10 PolarHBondContact OD1-N 3Å; D8-S10 PolarHBondContact OD1-OG 3.12Å; S10-P33 VanDerWaalsContact O-CB 3.26Å; S10-P33 WeakPolarHBondContact O-CB 3.37Å |
| 11 | R | 95.4 | Very high | 96.4 | Very high | 188 Ų | 188 | 55.6 Ų | 55.6 | 71% | 0.709 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -93.7 | -11.2 | -177.9 | -73.8 | -173.3 | 159.3 | -168.2 | -9 | 115 | D8 F9 | D8-R11 HydrophobicContact CB-CG 4.44Å; D8-R11 PolarHBondContact O-N 2.98Å; D8-R11 WeakPolarHBondContact OD2-CD 3.33Å; D8-R11 VanDerWaalsContact OD2-CG 3.27Å; D8-R11 WeakPolarHBondContact OD2-CG 3.33Å; D8-R11 IonicContact OD2-NE 3.76Å; F9-R11 PolarHBondContact O-N 3.42Å; F9-R11 VanDerWaalsContact O-N 3.14Å |
| 12 | Y | 96 | Very high | 96.3 | Very high | 82 Ų | 82 | 54.7 Ų | 54.7 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -114.1 | 148.5 | -173 | -63.3 | -83.9 | 0 | 0 | 0 | 112.2 | F7 D8 F9 R52 R78 | F7-Y12 AromaticContact CD2-CD2 3.7Å; F7-Y12 HydrophobicContact CD2-CD2 3.7Å; F7-Y12 HydrophobicContact CD2-CE2 4.14Å; F7-Y12 HydrophobicContact CE2-CD2 4.24Å; D8-Y12 WeakPolarHBondContact O-CD2 3.33Å; F9-Y12 PolarHBondContact O-N 3.08Å; Y12-R52 PolarHBondContact O-NH1 2.9Å; Y12-R78 HydrophobicContact CD1-CG 4.17Å; Y12-R78 HydrophobicContact CG-CG 3.9Å |
| 13 | W | 97.1 | Very high | 96.2 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 31% | 0.307 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 146.9 | 161.2 | -74.7 | 66.7 | 0 | 0 | 0 | 109.1 | E30 I31 N32 P33 T37 V79 | W13-E30 HydrophobicContact CE3-CB 4.28Å; W13-E30 VanDerWaalsContact CE3-CD 3.44Å; W13-E30 HydrophobicContact CE3-CG 3.5Å; W13-E30 VanDerWaalsContact CE3-CG 3.5Å; W13-E30 HydrophobicContact CZ3-CG 3.6Å; W13-E30 WeakPolarHBondContact CZ3-OE1 3.36Å; W13-I31 WeakPolarHBondContact CA-O 3.26Å; W13-N32 HydrophobicContact CD2-CB 3.62Å; W13-N32 HydrophobicContact CE3-CB 3.95Å; W13-N32 HydrophobicContact CG-CB 4.3Å; W13-N32 HydrophobicContact CH2-CB 3.72Å; W13-N32 HydrophobicContact CZ2-CB 3.35Å; W13-N32 HydrophobicContact CZ3-CB 3.99Å; W13-P33 VanDerWaalsContact CD1-CD 3.45Å; W13-T37 HydrophobicContact CH2-CG2 3.91Å; W13-V79 HydrophobicContact CB-CB 3.8Å; W13-V79 HydrophobicContact CB-CG2 3.85Å; W13-V79 PolarHBondContact O-N 2.96Å |
| 14 | M | 98 | Very high | 96.1 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.02 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 138.1 | -176.9 | -63.5 | -61.3 | -54.7 | 0 | 0 | 109.6 | F7 F9 E30 I31 L59 A77 R78 | F7-M14 HydrophobicContact CE2-SD 4.04Å; F7-M14 HydrophobicContact CZ-CE 4.22Å; F7-M14 HydrophobicContact CZ-SD 4.09Å; F9-M14 HydrophobicContact CD2-CE 4.26Å; F9-M14 HydrophobicContact CD2-CG 4Å; F9-M14 HydrophobicContact CD2-SD 3.94Å; F9-M14 HydrophobicContact CE2-CB 4.47Å; F9-M14 HydrophobicContact CE2-CE 3.97Å; F9-M14 HydrophobicContact CE2-CG 3.5Å; F9-M14 VanDerWaalsContact CE2-CG 3.5Å; F9-M14 HydrophobicContact CE2-SD 3.92Å; F9-M14 HydrophobicContact CZ-CG 4.05Å; M14-E30 CarbonylContact O-C 3.51Å; M14-E30 WeakPolarHBondContact O-CA 3.4Å; M14-I31 HydrophobicContact CB-CG2 4.38Å; M14-I31 PolarHBondContact N-O 3.23Å; M14-I31 PolarHBondContact O-N 2.88Å; M14-L59 HydrophobicContact CB-CD1 3.76Å; M14-L59 HydrophobicContact CB-CD2 3.89Å; M14-L59 HydrophobicContact CB-CG 4.35Å; M14-A77 WeakPolarHBondContact CA-O 3.22Å; M14-A77 WeakPolarHBondContact CE-O 3.17Å; M14-R78 HydrophobicContact CE-CB 4.37Å; M14-R78 HydrophobicContact SD-CB 4.05Å; M14-R78 HydrophobicContact SD-CG 4.05Å |
| 15 | S | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 152.4 | -172.1 | -70 | 0 | 0 | 0 | 0 | 112.1 | W27 G29 E30 C76 A77 V79 F84 | S15-W27 PolarHBondContact OG-NE1 3.16Å; S15-G29 VanDerWaalsContact CA-O 3.31Å; S15-G29 WeakPolarHBondContact CA-O 3.47Å; S15-E30 WeakPolarHBondContact OG-CB 3.49Å; S15-C76 CarbonylContact O-C 3.53Å; S15-C76 VanDerWaalsContact O-CA 3.28Å; S15-C76 WeakPolarHBondContact O-CA 3.19Å; S15-A77 PolarHBondContact N-O 3.36Å; S15-A77 PolarHBondContact O-N 3.09Å; S15-V79 WeakPolarHBondContact OG-CG2 3.11Å; S15-F84 WeakPolarHBondContact OG-CE1 3.23Å |
| 16 | W | 98.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 61.9 Ų | 61.9 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 138.1 | 163.5 | -76.8 | 101.7 | 0 | 0 | 0 | 110.3 | C2 I28 G29 L59 Y60 L61 Y75 C76 | C2-W16 HydrophobicContact CB-CH2 3.72Å; C2-W16 HydrophobicContact CB-CZ2 3.94Å; W16-I28 HydrophobicContact CB-CB 4.1Å; W16-I28 HydrophobicContact CB-CD1 4.19Å; W16-I28 WeakPolarHBondContact O-CB 3.41Å; W16-I28 PolarHBondContact O-N 3.09Å; W16-G29 PolarHBondContact N-O 2.78Å; W16-L59 HydrophobicContact CD2-CD2 4.25Å; W16-L59 HydrophobicContact CG-CD2 4.24Å; W16-L59 HydrophobicContact CZ2-CD2 4.14Å; W16-L59 HydrophobicContact CZ2-CG 4.27Å; W16-L59 VanDerWaalsContact NE1-CG 3.33Å; W16-Y60 PolarHBondContact NE1-O 2.87Å; W16-Y60 VanDerWaalsContact NE1-O 3.13Å; W16-L61 HydrophobicContact CB-CD1 4.26Å; W16-L61 HydrophobicContact CB-CD2 4.36Å; W16-L61 HydrophobicContact CD2-CB 3.88Å; W16-L61 HydrophobicContact CD2-CD2 4Å; W16-L61 HydrophobicContact CD2-CG 4.37Å; W16-L61 HydrophobicContact CE3-CB 4.5Å; W16-L61 HydrophobicContact CE3-CD2 4.16Å; W16-L61 HydrophobicContact CG-CB 4.15Å; W16-L61 HydrophobicContact CG-CD1 3.94Å; W16-L61 HydrophobicContact CG-CD2 4.08Å; W16-L61 HydrophobicContact CG-CG 4.3Å; W16-L61 HydrophobicContact CZ2-CB 3.99Å; W16-Y75 CarbonylContact C-O 3.58Å; W16-Y75 WeakPolarHBondContact CA-O 3.41Å; W16-Y75 VanDerWaalsContact CE3-C 3.45Å; W16-C76 HydrophobicContact CE3-CB 4.3Å; W16-C76 HydrophobicContact CH2-CB 4.08Å; W16-C76 HydrophobicContact CZ2-CB 4.31Å; W16-C76 HydrophobicContact CZ3-CB 4.08Å |
| 17 | V | 97.9 | Very high | 96.3 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 143.7 | 178.2 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | L25 E26 Y75 W87 | V17-L25 HydrophobicContact CG1-CB 3.91Å; V17-L25 HydrophobicContact CG1-CD2 3.85Å; V17-L25 HydrophobicContact CG1-CG 4.4Å; V17-E26 CarbonylContact C-O 3.4Å; V17-E26 WeakPolarHBondContact CA-O 3.39Å; V17-E26 WeakPolarHBondContact CG1-O 3.41Å; V17-Y75 PolarHBondContact N-O 3.26Å; V17-Y75 PolarHBondContact O-N 3.19Å; V17-W87 HydrophobicContact CB-CH2 4.11Å; V17-W87 HydrophobicContact CB-CZ3 3.78Å; V17-W87 HydrophobicContact CG1-CH2 4.03Å; V17-W87 HydrophobicContact CG1-CZ3 3.95Å; V17-W87 HydrophobicContact CG2-CH2 3.78Å; V17-W87 HydrophobicContact CG2-CZ3 3.83Å |
| 18 | R | 97.3 | Very high | 96.5 | Very high | 23 Ų | 23 | 59.2 Ų | 59.2 | 9% | 0.087 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 158.7 | 172 | 67.8 | 177.6 | -171.3 | 176.5 | 1.1 | 112.7 | E26 I28 D70 A72 L73 Y74 | R18-E26 HydrophobicContact CG-CB 4.18Å; R18-E26 IonicContact CZ-OE2 2.93Å; R18-E26 VanDerWaalsContact CZ-OE2 3.22Å; R18-E26 PolarHBondContact N-O 2.93Å; R18-E26 IonicContact NE-OE2 2.73Å; R18-E26 PolarHBondContact NE-OE2 2.77Å; R18-E26 IonicContact NH2-OE1 3.22Å; R18-E26 IonicContact NH2-OE2 3.16Å; R18-E26 PolarHBondContact NH2-OE2 2.79Å; R18-E26 PolarHBondContact O-N 2.81Å; R18-I28 HydrophobicContact CB-CD1 4.06Å; R18-I28 HydrophobicContact CB-CG1 4.43Å; R18-I28 HydrophobicContact CG-CD1 4.14Å; R18-I28 HydrophobicContact CG-CG1 4.11Å; R18-D70 IonicContact NH1-OD1 3.04Å; R18-D70 PolarHBondContact NH1-OD1 2.85Å; R18-A72 HydrophobicContact CB-CB 4.01Å; R18-A72 HydrophobicContact CG-CB 4.49Å; R18-L73 CarbonylContact C-O 3.46Å; R18-L73 WeakPolarHBondContact CA-O 3.5Å; R18-L73 WeakPolarHBondContact CB-O 3.49Å; R18-Y74 HydrophobicContact CB-CD1 3.81Å; R18-Y74 HydrophobicContact CB-CE1 3.72Å; R18-Y74 HydrophobicContact CB-CG 4.27Å; R18-Y74 HydrophobicContact CG-CE1 4.38Å |
| 19 | Q | 97.8 | Very high | 96.6 | Very high | 72 Ų | 72 | 55.6 Ų | 55.6 | 34% | 0.336 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 105.9 | 173.3 | -169.4 | 175.8 | 22.2 | 0 | 0 | 109.8 | K23 L25 A72 L73 Y75 | Q19-K23 WeakPolarHBondContact CG-O 2.98Å; Q19-K23 PolarHBondContact NE2-O 2.81Å; Q19-K23 VanDerWaalsContact NE2-O 3.13Å; Q19-L25 HydrophobicContact CB-CD2 4.08Å; Q19-A72 CarbonylContact O-C 3.47Å; Q19-A72 WeakPolarHBondContact O-CA 3.25Å; Q19-A72 WeakPolarHBondContact O-CB 3.31Å; Q19-L73 PolarHBondContact N-O 3.12Å; Q19-L73 PolarHBondContact O-N 3.03Å; Q19-Y75 HydrophobicContact CB-CE2 4.06Å; Q19-Y75 PolarHBondContact OE1-OH 3.44Å |
| 20 | A | 96.3 | Very high | 96.7 | Very high | 26 Ų | 26 | 57.2 Ų | 57.2 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | trans | -71.8 | 152.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G22 K23 A72 | A20-G22 PolarHBondContact O-N 2.92Å; A20-K23 HydrophobicContact CB-CB 4.11Å; A20-K23 HydrophobicContact CB-CG 3.96Å; A20-K23 WeakPolarHBondContact O-CB 3.43Å; A20-K23 PolarHBondContact O-N 3.07Å; A20-A72 HydrophobicContact CB-CB 4.44Å | ||
| 21 | P | 95.4 | Very high | 96.8 | Very high | 102 Ų | 102 | 55.1 Ų | 55.1 | 66% | 0.662 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 127.3 | 177.1 | -26.5 | 34.8 | 0 | 0 | 0 | 112.1 | K23 T71 | P21-K23 PolarHBondContact O-N 3.45Å; P21-T71 WeakPolarHBondContact CD-O 3.49Å |
| 22 | G | 95.4 | Very high | 96.9 | Very high | 89 Ų | 89 | 46.9 Ų | 46.9 | 92% | 0.918 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 11.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A20 | A20-G22 PolarHBondContact O-N 2.92Š|
| 23 | K | 95.3 | Very high | 97 | Very high | 148 Ų | 148 | 44.6 Ų | 44.6 | 64% | 0.643 | 26% | 0.257 | S | S | * | . | trans | -115.4 | 162.1 | 176.4 | -59 | -65.2 | -175.4 | 177.1 | 0 | 111.6 | Q19 A20 P21 | Q19-K23 WeakPolarHBondContact CG-O 2.98Å; Q19-K23 PolarHBondContact NE2-O 2.81Å; Q19-K23 VanDerWaalsContact NE2-O 3.13Å; A20-K23 HydrophobicContact CB-CB 4.11Å; A20-K23 HydrophobicContact CB-CG 3.96Å; A20-K23 WeakPolarHBondContact O-CB 3.43Å; A20-K23 PolarHBondContact O-N 3.07Å; P21-K23 PolarHBondContact O-N 3.45Å | ||
| 24 | G | 95.5 | Very high | 96.9 | Very high | 55 Ų | 55 | 46 Ų | 46 | 57% | 0.567 | 27% | 0.27 | S | S | * | . | trans | -72.7 | 177.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 25 | L | 96.1 | Very high | 96.9 | Very high | 102 Ų | 102 | 48.3 Ų | 48.3 | 53% | 0.534 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 130.4 | 172.4 | -67.8 | 168.1 | 0 | 0 | 0 | 110.1 | V17 Q19 Y75 W87 | V17-L25 HydrophobicContact CG1-CB 3.91Å; V17-L25 HydrophobicContact CG1-CD2 3.85Å; V17-L25 HydrophobicContact CG1-CG 4.4Å; Q19-L25 HydrophobicContact CB-CD2 4.08Å; L25-Y75 HydrophobicContact CD2-CD2 4.25Å; L25-Y75 HydrophobicContact CD2-CE2 3.94Å; L25-W87 HydrophobicContact CD1-CH2 4.13Å |
| 26 | E | 96.3 | Very high | 96.9 | Very high | 66 Ų | 66 | 52.4 Ų | 52.4 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 117.8 | 175.1 | -175.9 | -178 | -158.3 | 0 | 0 | 108.6 | V17 R18 L44 | V17-E26 CarbonylContact C-O 3.4Å; V17-E26 WeakPolarHBondContact CA-O 3.39Å; V17-E26 WeakPolarHBondContact CG1-O 3.41Å; R18-E26 HydrophobicContact CG-CB 4.18Å; R18-E26 IonicContact CZ-OE2 2.93Å; R18-E26 VanDerWaalsContact CZ-OE2 3.22Å; R18-E26 PolarHBondContact N-O 2.93Å; R18-E26 IonicContact NE-OE2 2.73Å; R18-E26 PolarHBondContact NE-OE2 2.77Å; R18-E26 IonicContact NH2-OE1 3.22Å; R18-E26 IonicContact NH2-OE2 3.16Å; R18-E26 PolarHBondContact NH2-OE2 2.79Å; R18-E26 PolarHBondContact O-N 2.81Å; E26-L44 HydrophobicContact CG-CD1 4.29Å |
| 27 | W | 96.8 | Very high | 96.9 | Very high | 71 Ų | 71 | 54.6 Ų | 54.6 | 27% | 0.269 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 131.8 | 175.3 | 178.6 | 79.6 | 0 | 0 | 0 | 110 | S15 G29 E30 N39 T41 F84 | S15-W27 PolarHBondContact OG-NE1 3.16Å; W27-G29 VanDerWaalsContact CZ2-C 3.43Å; W27-G29 VanDerWaalsContact CZ2-CA 3.41Å; W27-G29 PolarHBondContact NE1-O 3.16Å; W27-E30 HydrophobicContact CZ2-CB 3.81Å; W27-E30 HydrophobicContact CZ2-CG 3.68Å; W27-N39 HydrophobicContact CH2-CB 3.74Å; W27-N39 HydrophobicContact CZ2-CB 4.33Å; W27-T41 VanDerWaalsContact CE3-OG1 3.31Å; W27-T41 WeakPolarHBondContact O-CB 3.02Å; W27-T41 PolarHBondContact O-OG1 2.73Å; W27-F84 AromaticContact CD1-CZ 3.68Å |
| 28 | I | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -47.6 | 179.7 | -60 | -178.5 | 0 | 0 | 0 | 110.2 | W16 R18 Y40 T41 L44 F48 L61 Y74 | W16-I28 HydrophobicContact CB-CB 4.1Å; W16-I28 HydrophobicContact CB-CD1 4.19Å; W16-I28 WeakPolarHBondContact O-CB 3.41Å; W16-I28 PolarHBondContact O-N 3.09Å; R18-I28 HydrophobicContact CB-CD1 4.06Å; R18-I28 HydrophobicContact CB-CG1 4.43Å; R18-I28 HydrophobicContact CG-CD1 4.14Å; R18-I28 HydrophobicContact CG-CG1 4.11Å; I28-Y40 WeakPolarHBondContact O-CA 3.28Å; I28-T41 PolarHBondContact O-N 2.93Å; I28-L44 HydrophobicContact CB-CD1 4.46Å; I28-L44 HydrophobicContact CG1-CD1 4.18Å; I28-L44 HydrophobicContact CG2-CD1 4.49Å; I28-F48 HydrophobicContact CG2-CB 3.94Å; I28-F48 HydrophobicContact CG2-CD2 3.68Å; I28-F48 HydrophobicContact CG2-CE2 4.5Å; I28-F48 HydrophobicContact CG2-CG 3.98Å; I28-L61 HydrophobicContact CD1-CD2 3.94Å; I28-L61 HydrophobicContact CG2-CD1 4.37Å; I28-Y74 HydrophobicContact CD1-CD1 3.71Å; I28-Y74 HydrophobicContact CD1-CE1 3.56Å |
| 29 | G | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.7 | 174.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112 | S15 W16 W27 N39 | S15-G29 VanDerWaalsContact CA-O 3.31Å; S15-G29 WeakPolarHBondContact CA-O 3.47Å; W16-G29 PolarHBondContact N-O 2.78Å; W27-G29 VanDerWaalsContact CZ2-C 3.43Å; W27-G29 VanDerWaalsContact CZ2-CA 3.41Å; W27-G29 PolarHBondContact NE1-O 3.16Å; G29-N39 CarbonylContact C-O 3.6Å; G29-N39 WeakPolarHBondContact CA-O 3.37Å |
| 30 | E | 97.5 | Very high | 96.8 | Very high | 35 Ų | 35 | 58.3 Ų | 58.3 | 16% | 0.164 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 156.7 | 179.6 | 74.2 | -172.3 | 164.2 | 0 | 0 | 111.6 | W13 M14 S15 W27 I38 N39 | W13-E30 HydrophobicContact CE3-CB 4.28Å; W13-E30 VanDerWaalsContact CE3-CD 3.44Å; W13-E30 HydrophobicContact CE3-CG 3.5Å; W13-E30 VanDerWaalsContact CE3-CG 3.5Å; W13-E30 HydrophobicContact CZ3-CG 3.6Å; W13-E30 WeakPolarHBondContact CZ3-OE1 3.36Å; M14-E30 CarbonylContact O-C 3.51Å; M14-E30 WeakPolarHBondContact O-CA 3.4Å; S15-E30 WeakPolarHBondContact OG-CB 3.49Å; W27-E30 HydrophobicContact CZ2-CB 3.81Å; W27-E30 HydrophobicContact CZ2-CG 3.68Å; E30-I38 VanDerWaalsContact O-CA 3.31Å; E30-I38 WeakPolarHBondContact O-CA 3.49Å; E30-I38 VanDerWaalsContact O-CG2 3.25Å; E30-I38 WeakPolarHBondContact O-CG2 3.14Å; E30-N39 HydrophobicContact CG-CB 4.1Å; E30-N39 PolarHBondContact N-O 2.82Å; E30-N39 PolarHBondContact O-N 3.04Å; E30-N39 PolarHBondContact OE1-ND2 3.21Å |
| 31 | I | 98.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.3 | 178.7 | -175 | 161.3 | 0 | 0 | 0 | 110.4 | W13 M14 I38 I50 R52 L59 | W13-I31 WeakPolarHBondContact CA-O 3.26Å; M14-I31 HydrophobicContact CB-CG2 4.38Å; M14-I31 PolarHBondContact N-O 3.23Å; M14-I31 PolarHBondContact O-N 2.88Å; I31-I38 HydrophobicContact CB-CG1 4.43Å; I31-I38 HydrophobicContact CB-CG2 4.47Å; I31-I38 HydrophobicContact CD1-CD1 3.89Å; I31-I38 HydrophobicContact CD1-CG1 3.95Å; I31-I38 HydrophobicContact CG1-CD1 4.47Å; I31-I38 HydrophobicContact CG1-CG1 3.98Å; I31-I50 HydrophobicContact CB-CG2 3.87Å; I31-I50 HydrophobicContact CG2-CG2 3.62Å; 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 3.51Å |
| 32 | N | 97.3 | Very high | 96.7 | Very high | 14 Ų | 14 | 59.2 Ų | 59.2 | 8% | 0.075 | 35% | 0.353 | C | S | . | . | trans | -78 | 166 | 179.6 | 77.6 | -25.7 | 0 | 0 | 0 | 112.3 | W13 D34 S35 S36 T37 R52 | W13-N32 HydrophobicContact CD2-CB 3.62Å; W13-N32 HydrophobicContact CE3-CB 3.95Å; W13-N32 HydrophobicContact CG-CB 4.3Å; W13-N32 HydrophobicContact CH2-CB 3.72Å; W13-N32 HydrophobicContact CZ2-CB 3.35Å; W13-N32 HydrophobicContact CZ3-CB 3.99Å; N32-D34 VanDerWaalsContact C-N 3.33Å; N32-D34 PolarHBondContact ND2-OD1 2.84Å; N32-D34 PolarHBondContact O-N 2.69Å; N32-D34 PolarHBondContact OD1-OD1 2.01Å; N32-D34 VanDerWaalsContact OD1-OD1 3.11Å; N32-S35 PolarHBondContact O-N 2.62Å; N32-S35 VanDerWaalsContact OD1-C 3.31Å; N32-S35 VanDerWaalsContact OD1-CA 3.23Å; N32-S35 WeakPolarHBondContact OD1-CA 3.42Å; N32-S35 PolarHBondContact OD1-N 3.35Å; N32-S36 PolarHBondContact ND2-OG 3.49Å; N32-S36 PolarHBondContact OD1-N 2.87Å; N32-T37 PolarHBondContact N-O 2.86Å; N32-T37 VanDerWaalsContact N-O 3.12Å; N32-T37 PolarHBondContact OD1-N 2.85Å; N32-T37 PolarHBondContact OD1-O 2.91Å; N32-T37 VanDerWaalsContact OD1-O 3.11Å; N32-R52 VanDerWaalsContact C-NH1 3.35Å; N32-R52 VanDerWaalsContact O-CD 3.29Å; N32-R52 WeakPolarHBondContact O-CD 2.97Å; N32-R52 PolarHBondContact O-NH1 3.14Å | ||
| 33 | P | 97.5 | Very high | 96.5 | Very high | 35 Ų | 35 | 59.1 Ų | 59.1 | 23% | 0.227 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44 | -46.8 | 179.1 | -41.9 | 44.2 | 0 | 0 | 0 | 117.1 | S10 W13 R52 N54 | S10-P33 VanDerWaalsContact O-CB 3.26Å; S10-P33 WeakPolarHBondContact O-CB 3.37Å; W13-P33 VanDerWaalsContact CD1-CD 3.45Å; P33-R52 VanDerWaalsContact CA-NH1 3.3Å; P33-N54 PolarHBondContact O-ND2 2.83Å |
| 34 | D | 96.6 | Very high | 96.3 | Very high | 109 Ų | 109 | 52.4 Ų | 52.4 | 58% | 0.583 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 3.3 | -174 | 66 | 9.7 | 0 | 0 | 0 | 113.3 | N32 S36 | N32-D34 VanDerWaalsContact C-N 3.33Å; N32-D34 PolarHBondContact ND2-OD1 2.84Å; N32-D34 PolarHBondContact O-N 2.69Å; N32-D34 PolarHBondContact OD1-OD1 2.01Å; N32-D34 VanDerWaalsContact OD1-OD1 3.11Å; D34-S36 VanDerWaalsContact CG-OG 3.32Å; D34-S36 PolarHBondContact O-N 2.85Å; D34-S36 VanDerWaalsContact OD1-CB 3.25Å; D34-S36 WeakPolarHBondContact OD1-CB 3.37Å; D34-S36 PolarHBondContact OD1-N 2.79Å; D34-S36 PolarHBondContact OD1-OG 3.39Å; D34-S36 PolarHBondContact OD2-OG 2.87Å |
| 35 | S | 97.4 | Very high | 95.9 | Very high | 53 Ų | 53 | 55.9 Ų | 55.9 | 37% | 0.371 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 62.1 | 11.9 | -177.8 | -46.2 | 0 | 0 | 0 | 0 | 115.4 | N32 T37 R52 | N32-S35 PolarHBondContact O-N 2.62Å; N32-S35 VanDerWaalsContact OD1-C 3.31Å; N32-S35 VanDerWaalsContact OD1-CA 3.23Å; N32-S35 WeakPolarHBondContact OD1-CA 3.42Å; N32-S35 PolarHBondContact OD1-N 3.35Å; S35-T37 VanDerWaalsContact C-N 3.3Å; S35-R52 WeakPolarHBondContact OG-CD 3.41Å; S35-R52 WeakPolarHBondContact OG-CG 3.08Å |
| 36 | S | 97.6 | Very high | 95.7 | Very high | 86 Ų | 86 | 58.3 Ų | 58.3 | 60% | 0.601 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -73.5 | -23.1 | 176.8 | 64 | 0 | 0 | 0 | 0 | 113.1 | N32 D34 | N32-S36 PolarHBondContact ND2-OG 3.49Å; N32-S36 PolarHBondContact OD1-N 2.87Å; D34-S36 VanDerWaalsContact CG-OG 3.32Å; D34-S36 PolarHBondContact O-N 2.85Å; D34-S36 VanDerWaalsContact OD1-CB 3.25Å; D34-S36 WeakPolarHBondContact OD1-CB 3.37Å; D34-S36 PolarHBondContact OD1-N 2.79Å; D34-S36 PolarHBondContact OD1-OG 3.39Å; D34-S36 PolarHBondContact OD2-OG 2.87Å |
| 37 | T | 97.8 | Very high | 95.5 | Very high | 56 Ų | 56 | 57 Ų | 57 | 34% | 0.344 | 32% | 0.316 | S | S | . | . | trans | -128.1 | 129.8 | -178.8 | -55 | 0 | 0 | 0 | 0 | 110.7 | W13 N32 S35 | W13-T37 HydrophobicContact CH2-CG2 3.91Å; N32-T37 PolarHBondContact N-O 2.86Å; N32-T37 VanDerWaalsContact N-O 3.12Å; N32-T37 PolarHBondContact OD1-N 2.85Å; N32-T37 PolarHBondContact OD1-O 2.91Å; N32-T37 VanDerWaalsContact OD1-O 3.11Å; S35-T37 VanDerWaalsContact C-N 3.3Å | ||
| 38 | I | 97.7 | Very high | 95.4 | Very high | 64 Ų | 64 | 53.7 Ų | 53.7 | 33% | 0.328 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 121.4 | 173.2 | -44.5 | 178.8 | 0 | 0 | 0 | 108.6 | E30 I31 Y40 I50 | E30-I38 VanDerWaalsContact O-CA 3.31Å; E30-I38 WeakPolarHBondContact O-CA 3.49Å; E30-I38 VanDerWaalsContact O-CG2 3.25Å; E30-I38 WeakPolarHBondContact O-CG2 3.14Å; I31-I38 HydrophobicContact CB-CG1 4.43Å; I31-I38 HydrophobicContact CB-CG2 4.47Å; I31-I38 HydrophobicContact CD1-CD1 3.89Å; I31-I38 HydrophobicContact CD1-CG1 3.95Å; I31-I38 HydrophobicContact CG1-CD1 4.47Å; I31-I38 HydrophobicContact CG1-CG1 3.98Å; I38-Y40 HydrophobicContact CB-CE2 3.89Å; I38-Y40 HydrophobicContact CG2-CD2 4.01Å; I38-Y40 HydrophobicContact CG2-CE1 4.39Å; I38-Y40 HydrophobicContact CG2-CE2 3.26Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.49Å; I38-I50 HydrophobicContact CG2-CB 4.22Å |
| 39 | N | 96.9 | Very high | 95.4 | Very high | 67 Ų | 67 | 57.6 Ų | 57.6 | 36% | 0.358 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 147 | 174.9 | -57.6 | -41.9 | 0 | 0 | 0 | 109.5 | W27 G29 E30 | W27-N39 HydrophobicContact CH2-CB 3.74Å; W27-N39 HydrophobicContact CZ2-CB 4.33Å; G29-N39 CarbonylContact C-O 3.6Å; G29-N39 WeakPolarHBondContact CA-O 3.37Å; E30-N39 HydrophobicContact CG-CB 4.1Å; E30-N39 PolarHBondContact N-O 2.82Å; E30-N39 PolarHBondContact O-N 3.04Å; E30-N39 PolarHBondContact OE1-ND2 3.21Å |
| 40 | Y | 97.1 | Very high | 95.4 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 17% | 0.173 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 153.5 | 179.9 | -70 | -88.1 | 0 | 0 | 0 | 110.8 | I28 I38 K45 F48 I50 | I28-Y40 WeakPolarHBondContact O-CA 3.28Å; I38-Y40 HydrophobicContact CB-CE2 3.89Å; I38-Y40 HydrophobicContact CG2-CD2 4.01Å; I38-Y40 HydrophobicContact CG2-CE1 4.39Å; I38-Y40 HydrophobicContact CG2-CE2 3.26Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.49Å; Y40-K45 HydrophobicContact CD2-CD 4.46Å; Y40-K45 HydrophobicContact CD2-CG 3.95Å; Y40-K45 HydrophobicContact CG-CB 4.13Å; Y40-K45 HydrophobicContact CG-CG 4.01Å; Y40-F48 WeakPolarHBondContact CE1-O 3.16Å; Y40-I50 HydrophobicContact CD1-CD1 4.35Å; Y40-I50 HydrophobicContact CE1-CB 4.45Å; Y40-I50 HydrophobicContact CE1-CD1 3.85Å; Y40-I50 HydrophobicContact CE1-CG1 3.81Å; Y40-I50 PolarHBondContact OH-N 3.26Å |
| 41 | T | 95.8 | Very high | 95.4 | Very high | 32 Ų | 32 | 58.5 Ų | 58.5 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | trans | -64.4 | 125.3 | 157.5 | -67.8 | 0 | 0 | 0 | 0 | 108.6 | W27 I28 S43 L44 K45 | W27-T41 VanDerWaalsContact CE3-OG1 3.31Å; W27-T41 WeakPolarHBondContact O-CB 3.02Å; W27-T41 PolarHBondContact O-OG1 2.73Å; I28-T41 PolarHBondContact O-N 2.93Å; T41-S43 VanDerWaalsContact C-N 3.28Å; T41-S43 WeakPolarHBondContact CG2-OG 3.46Å; T41-S43 PolarHBondContact O-N 3.46Å; T41-S43 VanDerWaalsContact O-N 3.14Å; T41-L44 HydrophobicContact CG2-CD1 4.33Å; T41-L44 HydrophobicContact CG2-CG 4.15Å; T41-L44 PolarHBondContact O-N 3.14Å; T41-K45 PolarHBondContact O-N 3.4Å | ||
| 42 | P | 93.7 | Very high | 95.5 | Very high | 116 Ų | 116 | 59.7 Ų | 59.7 | 75% | 0.753 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -39.2 | -171.8 | -30.5 | 35.8 | 0 | 0 | 0 | 114.8 | L44 | P42-L44 PolarHBondContact O-N 2.78Š|
| 43 | S | 90.4 | Very high | 95.5 | Very high | 87 Ų | 87 | 61 Ų | 61 | 61% | 0.608 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -15.1 | 178.8 | 54 | 0 | 0 | 0 | 0 | 114.3 | T41 | T41-S43 VanDerWaalsContact C-N 3.28Å; T41-S43 WeakPolarHBondContact CG2-OG 3.46Å; T41-S43 PolarHBondContact O-N 3.46Å; T41-S43 VanDerWaalsContact O-N 3.14Å |
| 44 | L | 90.7 | Very high | 95.5 | Very high | 6 Ų | 6 | 62.2 Ų | 62.2 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -13.2 | -171.9 | -60.4 | -171.6 | 0 | 0 | 0 | 113.4 | E26 I28 T41 P42 D46 K47 F48 | E26-L44 HydrophobicContact CG-CD1 4.29Å; I28-L44 HydrophobicContact CB-CD1 4.46Å; I28-L44 HydrophobicContact CG1-CD1 4.18Å; I28-L44 HydrophobicContact CG2-CD1 4.49Å; T41-L44 HydrophobicContact CG2-CD1 4.33Å; T41-L44 HydrophobicContact CG2-CG 4.15Å; T41-L44 PolarHBondContact O-N 3.14Å; P42-L44 PolarHBondContact O-N 2.78Å; L44-D46 VanDerWaalsContact C-N 3.3Å; L44-D46 PolarHBondContact O-N 3.5Å; L44-K47 PolarHBondContact O-N 2.91Å; L44-K47 VanDerWaalsContact O-N 3.14Å; L44-F48 HydrophobicContact CB-CD2 3.95Å; L44-F48 HydrophobicContact CB-CE2 4.26Å; L44-F48 HydrophobicContact CD1-CE2 4.47Å; L44-F48 HydrophobicContact CD2-CE2 4.19Å; L44-F48 PolarHBondContact O-N 3.25Å |
| 45 | K | 89 | Confident | 95.5 | Very high | 128 Ų | 128 | 61.6 Ų | 61.6 | 56% | 0.557 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -36.7 | -175 | -176 | 179.4 | 177.5 | -177.2 | 0 | 114 | Y40 T41 K47 | Y40-K45 HydrophobicContact CD2-CD 4.46Å; Y40-K45 HydrophobicContact CD2-CG 3.95Å; Y40-K45 HydrophobicContact CG-CB 4.13Å; Y40-K45 HydrophobicContact CG-CG 4.01Å; T41-K45 PolarHBondContact O-N 3.4Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 3.22Å |
| 46 | D | 90.6 | Very high | 95.6 | Very high | 153 Ų | 153 | 65.2 Ų | 65.2 | 82% | 0.818 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -10.3 | -176.1 | -63.2 | -26.9 | 0 | 0 | 0 | 113.5 | L44 | L44-D46 VanDerWaalsContact C-N 3.3Å; L44-D46 PolarHBondContact O-N 3.5Å |
| 47 | K | 92.4 | Very high | 95.6 | Very high | 39 Ų | 39 | 64.1 Ų | 64.1 | 17% | 0.17 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -34 | -178.9 | -68.6 | -171.8 | 174 | -167.8 | 0 | 112.9 | L44 K45 S64 E69 D70 | L44-K47 PolarHBondContact O-N 2.91Å; L44-K47 VanDerWaalsContact O-N 3.14Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 3.22Å; K47-S64 PolarHBondContact O-N 2.99Å; K47-E69 IonicContact NZ-OE1 3.51Å; K47-E69 PolarHBondContact NZ-OE1 3.05Å; K47-D70 IonicContact NZ-OD1 2.69Å; K47-D70 PolarHBondContact NZ-OD1 3.29Å; K47-D70 VanDerWaalsContact NZ-OD1 3.16Å; K47-D70 IonicContact NZ-OD2 2.79Å; K47-D70 PolarHBondContact NZ-OD2 3.14Å |
| 48 | F | 94.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.009 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 134.5 | -171.8 | -59.4 | -60.7 | 0 | 0 | 0 | 111.6 | I28 Y40 L44 L61 Q62 M63 Y74 | I28-F48 HydrophobicContact CG2-CB 3.94Å; I28-F48 HydrophobicContact CG2-CD2 3.68Å; I28-F48 HydrophobicContact CG2-CE2 4.5Å; I28-F48 HydrophobicContact CG2-CG 3.98Å; Y40-F48 WeakPolarHBondContact CE1-O 3.16Å; L44-F48 HydrophobicContact CB-CD2 3.95Å; L44-F48 HydrophobicContact CB-CE2 4.26Å; L44-F48 HydrophobicContact CD1-CE2 4.47Å; L44-F48 HydrophobicContact CD2-CE2 4.19Å; L44-F48 PolarHBondContact O-N 3.25Å; F48-L61 HydrophobicContact CB-CD1 3.84Å; F48-L61 HydrophobicContact CD1-CD1 4.33Å; F48-L61 HydrophobicContact CD1-CD2 4.33Å; F48-L61 HydrophobicContact CD1-CG 4.26Å; F48-L61 HydrophobicContact CG-CD1 4.28Å; F48-Q62 WeakPolarHBondContact CA-O 3.31Å; F48-M63 HydrophobicContact CD1-CB 4Å; F48-M63 HydrophobicContact CD1-CE 4.16Å; F48-M63 HydrophobicContact CD1-CG 3.69Å; F48-M63 HydrophobicContact CE1-CB 3.94Å; F48-M63 HydrophobicContact CE1-CE 3.48Å; F48-M63 VanDerWaalsContact CE1-CE 3.48Å; F48-M63 HydrophobicContact CE1-CG 3.71Å; F48-M63 HydrophobicContact CE1-SD 4.38Å; F48-M63 HydrophobicContact CZ-CE 4.29Å; F48-Y74 HydrophobicContact CE1-CE1 4.4Å; F48-Y74 HydrophobicContact CZ-CE1 4.33Å |
| 49 | I | 96.4 | Very high | 95.6 | Very high | 82 Ų | 82 | 59.2 Ų | 59.2 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 117.6 | 173.3 | -58.5 | 171.2 | 0 | 0 | 0 | 107.3 | Q62 | I49-Q62 HydrophobicContact CB-CB 4.21Å; I49-Q62 PolarHBondContact N-O 2.92Å; I49-Q62 PolarHBondContact O-N 2.98Å |
| 50 | I | 98.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.015 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 134.3 | 174.9 | -58.5 | 173.9 | 0 | 0 | 0 | 108.5 | I31 I38 Y40 L59 L61 | I31-I50 HydrophobicContact CB-CG2 3.87Å; I31-I50 HydrophobicContact CG2-CG2 3.62Å; I38-I50 HydrophobicContact CG2-CB 4.22Å; Y40-I50 HydrophobicContact CD1-CD1 4.35Å; Y40-I50 HydrophobicContact CE1-CB 4.45Å; Y40-I50 HydrophobicContact CE1-CD1 3.85Å; Y40-I50 HydrophobicContact CE1-CG1 3.81Å; Y40-I50 PolarHBondContact OH-N 3.26Å; I50-L59 HydrophobicContact CG2-CD1 4.03Å; I50-L61 HydrophobicContact CG1-CD1 3.76Å |
| 51 | S | 98.3 | Very high | 95.8 | Very high | 51 Ų | 51 | 58.6 Ų | 58.6 | 36% | 0.357 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 165.1 | 171.7 | 63 | 0 | 0 | 0 | 0 | 110.4 | Y60 | S51-Y60 PolarHBondContact N-O 3.22Å; S51-Y60 PolarHBondContact O-N 2.92Å; S51-Y60 WeakPolarHBondContact OG-CB 3.43Å |
| 52 | R | 98.4 | Very high | 95.8 | Very high | 26 Ų | 26 | 62.5 Ų | 62.5 | 10% | 0.098 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 152.2 | -177.5 | 64 | -176 | -66 | 158.1 | 3.3 | 111.6 | 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 3.26Å; F9-R52 HydrophobicContact CZ-CB 4.12Å; F9-R52 PolarHBondContact O-NH2 2.89Å; Y12-R52 PolarHBondContact O-NH1 2.9Å; I31-R52 HydrophobicContact CD1-CG 3.95Å; I31-R52 HydrophobicContact CG1-CG 4.39Å; I31-R52 HydrophobicContact CG2-CB 4.48Å; N32-R52 VanDerWaalsContact C-NH1 3.35Å; N32-R52 VanDerWaalsContact O-CD 3.29Å; N32-R52 WeakPolarHBondContact O-CD 2.97Å; N32-R52 PolarHBondContact O-NH1 3.14Å; P33-R52 VanDerWaalsContact CA-NH1 3.3Å; S35-R52 WeakPolarHBondContact OG-CD 3.41Å; S35-R52 WeakPolarHBondContact OG-CG 3.08Å; R52-N54 VanDerWaalsContact CZ-OD1 3.24Å; R52-N54 PolarHBondContact NE-OD1 2.84Å; R52-N54 PolarHBondContact NH2-OD1 2.76Å; R52-T58 CarbonylContact C-O 3.6Å; R52-T58 WeakPolarHBondContact CA-O 3.39Å; R52-L59 HydrophobicContact CB-CD1 4.16Å |
| 53 | D | 98.2 | Very high | 95.9 | Very high | 43 Ų | 43 | 59.7 Ų | 59.7 | 23% | 0.23 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 107.1 | 171.7 | -177 | -23.5 | 0 | 0 | 0 | 108.2 | A55 K56 N57 T58 Y60 | D53-A55 VanDerWaalsContact C-N 3.35Å; D53-A55 WeakPolarHBondContact OD1-CB 3.4Å; D53-A55 PolarHBondContact OD1-N 3.48Å; D53-K56 HydrophobicContact CB-CB 4.22Å; D53-K56 PolarHBondContact O-N 2.78Å; D53-K56 PolarHBondContact OD1-N 3.13Å; D53-K56 VanDerWaalsContact OD1-N 3.09Å; D53-K56 WeakPolarHBondContact OD2-CD 3.22Å; D53-K56 VanDerWaalsContact OD2-CE 3.23Å; D53-K56 WeakPolarHBondContact OD2-CE 3.49Å; D53-K56 WeakPolarHBondContact OD2-CG 3.38Å; D53-K56 IonicContact OD2-NZ 2.82Å; D53-K56 PolarHBondContact OD2-NZ 2.82Å; D53-N57 PolarHBondContact O-N 2.65Å; D53-T58 PolarHBondContact N-O 2.89Å; D53-T58 PolarHBondContact O-N 2.8Å; D53-Y60 HydrophobicContact CB-CE2 3.83Å |
| 54 | N | 97.8 | Very high | 95.8 | Very high | 59 Ų | 59 | 57.7 Ų | 57.7 | 32% | 0.316 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -28.7 | -178.2 | -71.7 | -17.7 | 0 | 0 | 0 | 112.4 | F9 P33 R52 K56 N57 | F9-N54 WeakPolarHBondContact CD1-OD1 3.42Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.07Å; P33-N54 PolarHBondContact O-ND2 2.83Å; R52-N54 VanDerWaalsContact CZ-OD1 3.24Å; R52-N54 PolarHBondContact NE-OD1 2.84Å; R52-N54 PolarHBondContact NH2-OD1 2.76Å; N54-K56 VanDerWaalsContact C-N 3.26Å; N54-K56 PolarHBondContact O-N 3.18Å; N54-N57 PolarHBondContact O-N 3.39Å; N54-N57 PolarHBondContact O-OD1 2.99Å |
| 55 | A | 97.1 | Very high | 95.6 | Very high | 97 Ų | 97 | 65.9 Ų | 65.9 | 80% | 0.802 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -29.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D53 | D53-A55 VanDerWaalsContact C-N 3.35Å; D53-A55 WeakPolarHBondContact OD1-CB 3.4Å; D53-A55 PolarHBondContact OD1-N 3.48Å |
| 56 | K | 97.8 | Very high | 95.7 | Very high | 129 Ų | 129 | 62.9 Ų | 62.9 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 2.1 | 177.2 | -61.8 | -178.6 | -167.7 | 155.3 | 0 | 114 | D53 N54 T58 | D53-K56 HydrophobicContact CB-CB 4.22Å; D53-K56 PolarHBondContact O-N 2.78Å; D53-K56 PolarHBondContact OD1-N 3.13Å; D53-K56 VanDerWaalsContact OD1-N 3.09Å; D53-K56 WeakPolarHBondContact OD2-CD 3.22Å; D53-K56 VanDerWaalsContact OD2-CE 3.23Å; D53-K56 WeakPolarHBondContact OD2-CE 3.49Å; D53-K56 WeakPolarHBondContact OD2-CG 3.38Å; D53-K56 IonicContact OD2-NZ 2.82Å; D53-K56 PolarHBondContact OD2-NZ 2.82Å; N54-K56 VanDerWaalsContact C-N 3.26Å; N54-K56 PolarHBondContact O-N 3.18Å; K56-T58 PolarHBondContact O-N 3.06Å; K56-T58 VanDerWaalsContact O-N 3.11Å; K56-T58 PolarHBondContact O-OG1 2.86Å |
| 57 | N | 97.7 | Very high | 95.8 | Very high | 63 Ų | 63 | 62.6 Ų | 62.6 | 34% | 0.337 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 39.1 | -171.5 | -61.6 | -39.1 | 0 | 0 | 0 | 112.9 | A4 F9 D53 N54 | A4-N57 PolarHBondContact N-O 2.97Å; F9-N57 HydrophobicContact CB-CB 3.9Å; F9-N57 WeakPolarHBondContact CB-OD1 3.42Å; F9-N57 HydrophobicContact CD1-CB 4.39Å; F9-N57 HydrophobicContact CG-CB 4.16Å; D53-N57 PolarHBondContact O-N 2.65Å; N54-N57 PolarHBondContact O-N 3.39Å; N54-N57 PolarHBondContact O-OD1 2.99Å |
| 58 | T | 98.4 | Very high | 95.9 | Very high | 16 Ų | 16 | 64.2 Ų | 64.2 | 10% | 0.098 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 130.8 | -169.2 | -60.1 | 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 3.6Å; R52-T58 WeakPolarHBondContact CA-O 3.39Å; D53-T58 PolarHBondContact N-O 2.89Å; D53-T58 PolarHBondContact O-N 2.8Å; K56-T58 PolarHBondContact O-N 3.06Å; K56-T58 VanDerWaalsContact O-N 3.11Å; K56-T58 PolarHBondContact O-OG1 2.86Å; T58-Y60 HydrophobicContact CG2-CD1 4.33Å; T58-Y60 HydrophobicContact CG2-CD2 4.3Å; T58-Y60 HydrophobicContact CG2-CE1 3.71Å; T58-Y60 HydrophobicContact CG2-CE2 3.68Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.47Å |
| 59 | L | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 140.8 | 170.8 | -170.5 | 71.6 | 0 | 0 | 0 | 110.4 | S1 C2 F9 M14 W16 I31 I50 R52 C76 | S1-L59 CarbonylContact C-O 3.44Å; S1-L59 WeakPolarHBondContact CA-O 3.33Å; C2-L59 HydrophobicContact CB-CB 4.44Å; C2-L59 PolarHBondContact N-O 3.13Å; C2-L59 PolarHBondContact O-N 3.32Å; F9-L59 HydrophobicContact CE2-CB 4.25Å; F9-L59 HydrophobicContact CZ-CB 4.17Å; M14-L59 HydrophobicContact CB-CD1 3.76Å; M14-L59 HydrophobicContact CB-CD2 3.89Å; M14-L59 HydrophobicContact CB-CG 4.35Å; W16-L59 HydrophobicContact CD2-CD2 4.25Å; W16-L59 HydrophobicContact CG-CD2 4.24Å; W16-L59 HydrophobicContact CZ2-CD2 4.14Å; W16-L59 HydrophobicContact CZ2-CG 4.27Å; W16-L59 VanDerWaalsContact NE1-CG 3.33Å; I31-L59 HydrophobicContact CG2-CD1 3.51Å; I50-L59 HydrophobicContact CG2-CD1 4.03Å; R52-L59 HydrophobicContact CB-CD1 4.16Å; L59-C76 HydrophobicContact CD2-CB 4.05Å |
| 60 | Y | 98.6 | Very high | 95.6 | Very high | 74 Ų | 74 | 65.6 Ų | 65.6 | 29% | 0.29 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 147.2 | 179 | -58.3 | -87.4 | 0 | 0 | 0 | 110.8 | W16 S51 D53 T58 | W16-Y60 PolarHBondContact NE1-O 2.87Å; W16-Y60 VanDerWaalsContact NE1-O 3.13Å; S51-Y60 PolarHBondContact N-O 3.22Å; S51-Y60 PolarHBondContact O-N 2.92Å; S51-Y60 WeakPolarHBondContact OG-CB 3.43Å; D53-Y60 HydrophobicContact CB-CE2 3.83Å; T58-Y60 HydrophobicContact CG2-CD1 4.33Å; T58-Y60 HydrophobicContact CG2-CD2 4.3Å; T58-Y60 HydrophobicContact CG2-CE1 3.71Å; T58-Y60 HydrophobicContact CG2-CE2 3.68Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.47Å |
| 61 | L | 98.1 | Very high | 95.5 | Very high | 24 Ų | 24 | 66.9 Ų | 66.9 | 13% | 0.126 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 104.9 | 169.6 | -171.6 | 66.9 | 0 | 0 | 0 | 106 | W16 I28 F48 I50 M63 Y74 | W16-L61 HydrophobicContact CB-CD1 4.26Å; W16-L61 HydrophobicContact CB-CD2 4.36Å; W16-L61 HydrophobicContact CD2-CB 3.88Å; W16-L61 HydrophobicContact CD2-CD2 4Å; W16-L61 HydrophobicContact CD2-CG 4.37Å; W16-L61 HydrophobicContact CE3-CB 4.5Å; W16-L61 HydrophobicContact CE3-CD2 4.16Å; W16-L61 HydrophobicContact CG-CB 4.15Å; W16-L61 HydrophobicContact CG-CD1 3.94Å; W16-L61 HydrophobicContact CG-CD2 4.08Å; W16-L61 HydrophobicContact CG-CG 4.3Å; W16-L61 HydrophobicContact CZ2-CB 3.99Å; I28-L61 HydrophobicContact CD1-CD2 3.94Å; I28-L61 HydrophobicContact CG2-CD1 4.37Å; F48-L61 HydrophobicContact CB-CD1 3.84Å; F48-L61 HydrophobicContact CD1-CD1 4.33Å; F48-L61 HydrophobicContact CD1-CD2 4.33Å; F48-L61 HydrophobicContact CD1-CG 4.26Å; F48-L61 HydrophobicContact CG-CD1 4.28Å; I50-L61 HydrophobicContact CG1-CD1 3.76Å; L61-M63 HydrophobicContact CD2-CE 3.89Å; L61-M63 HydrophobicContact CD2-CG 4.38Å; L61-M63 HydrophobicContact CG-CG 4.18Å; L61-Y74 HydrophobicContact CD2-CD1 3.77Å; L61-Y74 HydrophobicContact CD2-CE1 4.1Å |
| 62 | Q | 97.3 | Very high | 95.5 | Very high | 114 Ų | 114 | 64.6 Ų | 64.6 | 53% | 0.533 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 130.4 | 170.4 | 175.7 | 177.5 | -18.3 | 0 | 0 | 108.2 | F48 I49 | F48-Q62 WeakPolarHBondContact CA-O 3.31Å; I49-Q62 HydrophobicContact CB-CB 4.21Å; I49-Q62 PolarHBondContact N-O 2.92Å; I49-Q62 PolarHBondContact O-N 2.98Å |
| 63 | M | 94.6 | Very high | 95.5 | Very high | 58 Ų | 58 | 65.5 Ų | 65.5 | 29% | 0.286 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.5 | -174 | -49.8 | 170.6 | 112.4 | 0 | 0 | 107.8 | F48 L61 V66 Y74 L93 | F48-M63 HydrophobicContact CD1-CB 4Å; F48-M63 HydrophobicContact CD1-CE 4.16Å; F48-M63 HydrophobicContact CD1-CG 3.69Å; F48-M63 HydrophobicContact CE1-CB 3.94Å; F48-M63 HydrophobicContact CE1-CE 3.48Å; F48-M63 VanDerWaalsContact CE1-CE 3.48Å; F48-M63 HydrophobicContact CE1-CG 3.71Å; F48-M63 HydrophobicContact CE1-SD 4.38Å; F48-M63 HydrophobicContact CZ-CE 4.29Å; L61-M63 HydrophobicContact CD2-CE 3.89Å; L61-M63 HydrophobicContact CD2-CG 4.38Å; L61-M63 HydrophobicContact CG-CG 4.18Å; M63-V66 HydrophobicContact CB-CG1 3.66Å; M63-Y74 HydrophobicContact CE-CD1 3.6Å; M63-Y74 HydrophobicContact CE-CD2 4.12Å; M63-Y74 HydrophobicContact CE-CE1 3.07Å; M63-Y74 HydrophobicContact CE-CE2 3.68Å; M63-Y74 HydrophobicContact CE-CG 4.09Å; M63-Y74 WeakPolarHBondContact CE-OH 3.49Å; M63-L93 HydrophobicContact CE-CD2 3.68Å; M63-L93 HydrophobicContact SD-CD2 3.64Å |
| 64 | S | 89.9 | Confident | 95.5 | Very high | 44 Ų | 44 | 63.7 Ų | 63.7 | 31% | 0.308 | 33% | 0.328 | S | S | . | . | trans | -116.9 | 142.2 | -178.7 | -58.4 | 0 | 0 | 0 | 0 | 110.2 | K47 V66 | K47-S64 PolarHBondContact O-N 2.99Å; S64-V66 VanDerWaalsContact C-N 3.29Å; S64-V66 PolarHBondContact O-N 3.11Å | ||
| 65 | K | 86.6 | Confident | 95.5 | Very high | 179 Ų | 179 | 62.9 Ų | 62.9 | 78% | 0.778 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 54.4 | 43.2 | 179.1 | -54.4 | 175.1 | -178.7 | 173.1 | 0 | 112.8 | ||
| 66 | V | 90 | Very high | 95.5 | Very high | 64 Ų | 64 | 58.8 Ų | 58.8 | 39% | 0.388 | 29% | 0.286 | S | S | . | . | trans | -57.9 | 137.6 | 178 | -68.4 | 0 | 0 | 0 | 0 | 111.1 | M63 S64 V95 | M63-V66 HydrophobicContact CB-CG1 3.66Å; S64-V66 VanDerWaalsContact C-N 3.29Å; S64-V66 PolarHBondContact O-N 3.11Å; V66-V95 HydrophobicContact CB-CG2 4.27Å; V66-V95 HydrophobicContact CG2-CG2 4.48Å | ||
| 67 | R | 93 | Very high | 95.5 | Very high | 147 Ų | 147 | 52.8 Ų | 52.8 | 56% | 0.555 | 26% | 0.26 | S | S | * | . | trans | -127.1 | 170.6 | 179.1 | -67.4 | 175.4 | -174.3 | -168.8 | -1.9 | 110.2 | E69 D70 V95 | R67-E69 HydrophobicContact CB-CG 3.9Å; R67-E69 PolarHBondContact O-N 3.38Å; R67-E69 VanDerWaalsContact O-N 3.16Å; R67-D70 PolarHBondContact N-OD2 2.97Å; R67-D70 WeakPolarHBondContact O-CB 3.21Å; R67-D70 PolarHBondContact O-N 2.79Å; R67-V95 WeakPolarHBondContact O-CB 3.25Å | ||
| 68 | S | 93.7 | Very high | 95.4 | Very high | 74 Ų | 74 | 50.9 Ų | 50.9 | 52% | 0.517 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -54.4 | -34.6 | 177.7 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | D70 T71 V95 | S68-D70 PolarHBondContact O-N 3.01Å; S68-T71 VanDerWaalsContact O-CB 3.26Å; S68-T71 WeakPolarHBondContact O-CB 3.2Å; S68-T71 PolarHBondContact O-N 2.74Å; S68-T71 VanDerWaalsContact O-N 3.08Å; S68-T71 PolarHBondContact O-OG1 3.07Å; S68-V95 WeakPolarHBondContact CA-O 3.23Å |
| 69 | E | 91.7 | Very high | 95.1 | Very high | 110 Ų | 110 | 51.6 Ų | 51.6 | 51% | 0.514 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -62.9 | -18.1 | 174.4 | 70.3 | -158.9 | -158.5 | 0 | 0 | 114.6 | K47 R67 T71 | K47-E69 IonicContact NZ-OE1 3.51Å; K47-E69 PolarHBondContact NZ-OE1 3.05Å; R67-E69 HydrophobicContact CB-CG 3.9Å; R67-E69 PolarHBondContact O-N 3.38Å; R67-E69 VanDerWaalsContact O-N 3.16Å; E69-T71 VanDerWaalsContact C-N 3.29Å |
| 70 | D | 93.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -89.7 | 5.7 | 176.4 | -59.1 | -55.1 | 0 | 0 | 0 | 112 | R18 K47 R67 S68 A72 Y74 | R18-D70 IonicContact NH1-OD1 3.04Å; R18-D70 PolarHBondContact NH1-OD1 2.85Å; K47-D70 IonicContact NZ-OD1 2.69Å; K47-D70 PolarHBondContact NZ-OD1 3.29Å; K47-D70 VanDerWaalsContact NZ-OD1 3.16Å; K47-D70 IonicContact NZ-OD2 2.79Å; K47-D70 PolarHBondContact NZ-OD2 3.14Å; R67-D70 PolarHBondContact N-OD2 2.97Å; R67-D70 WeakPolarHBondContact O-CB 3.21Å; R67-D70 PolarHBondContact O-N 2.79Å; S68-D70 PolarHBondContact O-N 3.01Å; D70-A72 PolarHBondContact O-N 2.84Å; D70-Y74 PolarHBondContact O-OH 3.11Å |
| 71 | T | 96.6 | Very high | 93.4 | Very high | 30 Ų | 30 | 59.1 Ų | 59.1 | 18% | 0.184 | 29% | 0.285 | C | S | . | . | trans | -65.1 | 114.2 | 170.3 | -65.9 | 0 | 0 | 0 | 0 | 110.3 | P21 S68 E69 L93 T94 V95 | P21-T71 WeakPolarHBondContact CD-O 3.49Å; S68-T71 VanDerWaalsContact O-CB 3.26Å; S68-T71 WeakPolarHBondContact O-CB 3.2Å; S68-T71 PolarHBondContact O-N 2.74Å; S68-T71 VanDerWaalsContact O-N 3.08Å; S68-T71 PolarHBondContact O-OG1 3.07Å; E69-T71 VanDerWaalsContact C-N 3.29Å; T71-L93 WeakPolarHBondContact CA-O 3.26Å; T71-T94 HydrophobicContact CG2-CG2 4.35Å; T71-V95 PolarHBondContact OG1-N 3.11Å; T71-V95 PolarHBondContact OG1-O 2.74Å | ||
| 72 | A | 97.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 67.3 Ų | 67.3 | 3% | 0.025 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 166.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R18 Q19 A20 D70 Y74 L93 | R18-A72 HydrophobicContact CB-CB 4.01Å; R18-A72 HydrophobicContact CG-CB 4.49Å; Q19-A72 CarbonylContact O-C 3.47Å; Q19-A72 WeakPolarHBondContact O-CA 3.25Å; Q19-A72 WeakPolarHBondContact O-CB 3.31Å; A20-A72 HydrophobicContact CB-CB 4.44Å; D70-A72 PolarHBondContact O-N 2.84Å; A72-Y74 HydrophobicContact CB-CD2 4.24Å; A72-Y74 HydrophobicContact CB-CE2 3.69Å; A72-Y74 WeakPolarHBondContact O-CD2 3.49Å; A72-L93 PolarHBondContact N-O 3.04Å; A72-L93 VanDerWaalsContact N-O 3.12Å; A72-L93 PolarHBondContact O-N 3.01Å |
| 73 | L | 98.1 | Very high | 91.8 | Very high | 45 Ų | 45 | 65.3 Ų | 65.3 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 135.4 | 158.4 | -139.5 | 96.7 | 0 | 0 | 0 | 109.5 | R18 Q19 Y75 T91 T92 | R18-L73 CarbonylContact C-O 3.46Å; R18-L73 WeakPolarHBondContact CA-O 3.5Å; R18-L73 WeakPolarHBondContact CB-O 3.49Å; Q19-L73 PolarHBondContact N-O 3.12Å; Q19-L73 PolarHBondContact O-N 3.03Å; L73-Y75 HydrophobicContact CB-CE2 3.89Å; L73-Y75 HydrophobicContact CD2-CD1 4.21Å; L73-Y75 HydrophobicContact CD2-CE1 3.36Å; L73-Y75 HydrophobicContact CD2-CE2 3.8Å; L73-Y75 WeakPolarHBondContact CD2-OH 3.5Å; L73-Y75 HydrophobicContact CG-CE2 4.37Å; L73-T91 CarbonylContact C-O 3.59Å; L73-T91 WeakPolarHBondContact CA-O 3.27Å; L73-T92 WeakPolarHBondContact CD1-OG1 3.38Å |
| 74 | Y | 98.3 | Very high | 91.3 | Very high | 6 Ų | 6 | 66 Ų | 66 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 127 | -179.7 | -73.8 | -96.9 | 0 | 0 | 0 | 110.5 | R18 I28 F48 L61 M63 D70 A72 G90 T91 L93 | R18-Y74 HydrophobicContact CB-CD1 3.81Å; R18-Y74 HydrophobicContact CB-CE1 3.72Å; R18-Y74 HydrophobicContact CB-CG 4.27Å; R18-Y74 HydrophobicContact CG-CE1 4.38Å; I28-Y74 HydrophobicContact CD1-CD1 3.71Å; I28-Y74 HydrophobicContact CD1-CE1 3.56Å; F48-Y74 HydrophobicContact CE1-CE1 4.4Å; F48-Y74 HydrophobicContact CZ-CE1 4.33Å; L61-Y74 HydrophobicContact CD2-CD1 3.77Å; L61-Y74 HydrophobicContact CD2-CE1 4.1Å; M63-Y74 HydrophobicContact CE-CD1 3.6Å; M63-Y74 HydrophobicContact CE-CD2 4.12Å; M63-Y74 HydrophobicContact CE-CE1 3.07Å; M63-Y74 HydrophobicContact CE-CE2 3.68Å; M63-Y74 HydrophobicContact CE-CG 4.09Å; M63-Y74 WeakPolarHBondContact CE-OH 3.49Å; D70-Y74 PolarHBondContact O-OH 3.11Å; A72-Y74 HydrophobicContact CB-CD2 4.24Å; A72-Y74 HydrophobicContact CB-CE2 3.69Å; A72-Y74 WeakPolarHBondContact O-CD2 3.49Å; Y74-G90 CarbonylContact O-C 3.59Å; Y74-G90 WeakPolarHBondContact O-CA 3.16Å; Y74-T91 PolarHBondContact N-O 3.19Å; Y74-T91 PolarHBondContact O-N 2.95Å; Y74-L93 HydrophobicContact CD2-CB 3.93Å; Y74-L93 HydrophobicContact CE2-CB 3.83Å; Y74-L93 HydrophobicContact CE2-CD2 4.06Å |
| 75 | Y | 98.4 | Very high | 91.2 | Very high | 42 Ų | 42 | 66.9 Ų | 66.9 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 138.7 | -177.9 | -52.5 | -94.2 | 0 | 0 | 0 | 110.2 | W16 V17 Q19 L25 L73 W87 G90 | W16-Y75 CarbonylContact C-O 3.58Å; W16-Y75 WeakPolarHBondContact CA-O 3.41Å; W16-Y75 VanDerWaalsContact CE3-C 3.45Å; V17-Y75 PolarHBondContact N-O 3.26Å; V17-Y75 PolarHBondContact O-N 3.19Å; Q19-Y75 HydrophobicContact CB-CE2 4.06Å; Q19-Y75 PolarHBondContact OE1-OH 3.44Å; L25-Y75 HydrophobicContact CD2-CD2 4.25Å; L25-Y75 HydrophobicContact CD2-CE2 3.94Å; L73-Y75 HydrophobicContact CB-CE2 3.89Å; L73-Y75 HydrophobicContact CD2-CD1 4.21Å; L73-Y75 HydrophobicContact CD2-CE1 3.36Å; L73-Y75 HydrophobicContact CD2-CE2 3.8Å; L73-Y75 WeakPolarHBondContact CD2-OH 3.5Å; L73-Y75 HydrophobicContact CG-CE2 4.37Å; Y75-W87 HydrophobicContact CD1-CE3 4.5Å; Y75-W87 HydrophobicContact CG-CE3 4.23Å; Y75-W87 HydrophobicContact CG-CZ3 4.36Å; Y75-G90 VanDerWaalsContact CD1-CA 3.49Å |
| 76 | C | 97.7 | Very high | 91.4 | Very high | 11 Ų | 11 | 64.4 Ų | 64.4 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 147.3 | 158.9 | 55 | 0 | 0 | 0 | 0 | 109.3 | C2 S15 W16 L59 G88 | C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.29Å; C2-C76 WeakPolarHBondContact SG-CB 3.43Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3.4Å; S15-C76 CarbonylContact O-C 3.53Å; S15-C76 VanDerWaalsContact O-CA 3.28Å; S15-C76 WeakPolarHBondContact O-CA 3.19Å; W16-C76 HydrophobicContact CE3-CB 4.3Å; W16-C76 HydrophobicContact CH2-CB 4.08Å; W16-C76 HydrophobicContact CZ2-CB 4.31Å; W16-C76 HydrophobicContact CZ3-CB 4.08Å; L59-C76 HydrophobicContact CD2-CB 4.05Å; C76-G88 PolarHBondContact O-N 2.6Å |
| 77 | A | 97.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 147.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | M14 S15 F84 Y86 W87 | M14-A77 WeakPolarHBondContact CA-O 3.22Å; M14-A77 WeakPolarHBondContact CE-O 3.17Å; S15-A77 PolarHBondContact N-O 3.36Å; S15-A77 PolarHBondContact O-N 3.09Å; A77-F84 HydrophobicContact CB-CB 4.19Å; A77-F84 HydrophobicContact CB-CD1 3.87Å; A77-F84 HydrophobicContact CB-CG 4.16Å; A77-Y86 CarbonylContact C-O 3.4Å; A77-Y86 WeakPolarHBondContact CA-O 3.35Å; A77-Y86 WeakPolarHBondContact CB-O 3.45Å; A77-W87 HydrophobicContact CB-CD2 3.94Å; A77-W87 HydrophobicContact CB-CE3 4.04Å; A77-W87 HydrophobicContact CB-CG 4.39Å; A77-W87 HydrophobicContact CB-CZ2 4.5Å; A77-W87 HydrophobicContact CB-CZ3 4.36Å |
| 78 | R | 96.3 | Very high | 91.8 | Very high | 24 Ų | 24 | 60.4 Ų | 60.4 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 139.8 | 167.8 | -171.1 | -177.6 | 83.8 | 170 | 10.3 | 109.3 | F7 Y12 M14 F84 D85 Y86 | F7-R78 HydrophobicContact CE2-CB 4.47Å; F7-R78 HydrophobicContact CE2-CG 4.01Å; F7-R78 HydrophobicContact CZ-CB 4.2Å; F7-R78 HydrophobicContact CZ-CG 4.23Å; Y12-R78 HydrophobicContact CD1-CG 4.17Å; Y12-R78 HydrophobicContact CG-CG 3.9Å; M14-R78 HydrophobicContact CE-CB 4.37Å; M14-R78 HydrophobicContact SD-CB 4.05Å; M14-R78 HydrophobicContact SD-CG 4.05Å; R78-F84 WeakPolarHBondContact O-CA 3.36Å; R78-D85 IonicContact CZ-OD1 3.42Å; R78-D85 IonicContact CZ-OD2 3.39Å; R78-D85 IonicContact NE-OD1 3.49Å; R78-D85 PolarHBondContact NE-OD1 2.62Å; R78-D85 IonicContact NE-OD2 3.55Å; R78-D85 PolarHBondContact NE-OD2 2.83Å; R78-D85 VanDerWaalsContact NH2-CG 3.25Å; R78-D85 IonicContact NH2-OD1 2.65Å; R78-D85 PolarHBondContact NH2-OD1 2.84Å; R78-D85 IonicContact NH2-OD2 3.36Å; R78-D85 PolarHBondContact NH2-OD2 3Å; R78-D85 PolarHBondContact O-N 3.12Å; R78-Y86 PolarHBondContact N-O 3.38Å |
| 79 | V | 92.1 | Very high | 91.9 | Very high | 31 Ų | 31 | 65.9 Ų | 65.9 | 19% | 0.188 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 114.5 | 173.7 | -164.5 | 0 | 0 | 0 | 0 | 109.2 | W13 S15 F84 | W13-V79 HydrophobicContact CB-CB 3.8Å; W13-V79 HydrophobicContact CB-CG2 3.85Å; W13-V79 PolarHBondContact O-N 2.96Å; S15-V79 WeakPolarHBondContact OG-CG2 3.11Å; V79-F84 HydrophobicContact CG2-CD1 4.16Å; V79-F84 HydrophobicContact CG2-CE1 3.87Å |
| 80 | G | 84.4 | Confident | 92.2 | Very high | 16 Ų | 16 | 62.1 Ų | 62.1 | 17% | 0.165 | 30% | 0.299 | C | S | . | . | trans | -84.8 | -172.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y82 S83 D85 | G80-Y82 VanDerWaalsContact C-N 3.25Å; G80-Y82 PolarHBondContact O-N 3.25Å; G80-S83 WeakPolarHBondContact CA-O 3.44Å; G80-S83 PolarHBondContact N-O 3.21Å; G80-D85 WeakPolarHBondContact CA-OD2 3.13Å | ||
| 81 | R | 77 | Confident | 92.3 | Very high | 215 Ų | 215 | 66.2 Ų | 66.2 | 81% | 0.811 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -64.5 | -26.2 | -173.6 | -152.8 | 178.3 | -164.3 | -138.5 | 9.4 | 114.2 | ||
| 82 | Y | 77.8 | Confident | 92.4 | Very high | 196 Ų | 196 | 69.3 Ų | 69.3 | 77% | 0.769 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -142.8 | 1.8 | -177.1 | -55 | -69.6 | 0 | 0 | 0 | 114.1 | G80 | G80-Y82 VanDerWaalsContact C-N 3.25Å; G80-Y82 PolarHBondContact O-N 3.25Å |
| 83 | S | 82.5 | Confident | 92.3 | Very high | 73 Ų | 73 | 71.6 Ų | 71.6 | 51% | 0.51 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -164.7 | 168.5 | -169 | 54 | 0 | 0 | 0 | 0 | 112.3 | G80 | G80-S83 WeakPolarHBondContact CA-O 3.44Å; G80-S83 PolarHBondContact N-O 3.21Å |
| 84 | F | 85.8 | Confident | 92.2 | Very high | 71 Ų | 71 | 74.4 Ų | 74.4 | 31% | 0.311 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 112.4 | 163.8 | -59.3 | -62 | 0 | 0 | 0 | 109.2 | S15 W27 A77 R78 V79 W87 | S15-F84 WeakPolarHBondContact OG-CE1 3.23Å; W27-F84 AromaticContact CD1-CZ 3.68Å; A77-F84 HydrophobicContact CB-CB 4.19Å; A77-F84 HydrophobicContact CB-CD1 3.87Å; A77-F84 HydrophobicContact CB-CG 4.16Å; R78-F84 WeakPolarHBondContact O-CA 3.36Å; V79-F84 HydrophobicContact CG2-CD1 4.16Å; V79-F84 HydrophobicContact CG2-CE1 3.87Å; F84-W87 HydrophobicContact CB-CZ2 3.57Å; F84-W87 HydrophobicContact CD2-CH2 4.1Å; F84-W87 AromaticContact CD2-CZ2 3.55Å; F84-W87 HydrophobicContact CD2-CZ2 3.55Å; F84-W87 HydrophobicContact CE2-CZ2 4.49Å; F84-W87 HydrophobicContact CG-CH2 4.47Å; F84-W87 AromaticContact CG-CZ2 3.76Å; F84-W87 HydrophobicContact CG-CZ2 3.76Å; F84-W87 PolarHBondContact O-NE1 2.97Å |
| 85 | D | 86.4 | Confident | 92 | Very high | 64 Ų | 64 | 75.5 Ų | 75.5 | 34% | 0.342 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -20.2 | -172.9 | 51.8 | 9.4 | 0 | 0 | 0 | 113.8 | R78 G80 | R78-D85 IonicContact CZ-OD1 3.42Å; R78-D85 IonicContact CZ-OD2 3.39Å; R78-D85 IonicContact NE-OD1 3.49Å; R78-D85 PolarHBondContact NE-OD1 2.62Å; R78-D85 IonicContact NE-OD2 3.55Å; R78-D85 PolarHBondContact NE-OD2 2.83Å; R78-D85 VanDerWaalsContact NH2-CG 3.25Å; R78-D85 IonicContact NH2-OD1 2.65Å; R78-D85 PolarHBondContact NH2-OD1 2.84Å; R78-D85 IonicContact NH2-OD2 3.36Å; R78-D85 PolarHBondContact NH2-OD2 3Å; R78-D85 PolarHBondContact O-N 3.12Å; G80-D85 WeakPolarHBondContact CA-OD2 3.13Å |
| 86 | Y | 91.7 | Very high | 91.6 | Very high | 126 Ų | 126 | 78.6 Ų | 78.6 | 49% | 0.494 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 131.1 | 172.3 | -69.5 | -94.8 | 0 | 0 | 0 | 110.9 | A77 R78 | A77-Y86 CarbonylContact C-O 3.4Å; A77-Y86 WeakPolarHBondContact CA-O 3.35Å; A77-Y86 WeakPolarHBondContact CB-O 3.45Å; R78-Y86 PolarHBondContact N-O 3.38Å |
| 87 | W | 96 | Very high | 90.7 | Very high | 102 Ų | 102 | 86.5 Ų | 86.5 | 39% | 0.386 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 138.7 | 179.4 | -69.5 | 78.1 | 0 | 0 | 0 | 110.8 | V17 L25 Y75 A77 F84 | V17-W87 HydrophobicContact CB-CH2 4.11Å; V17-W87 HydrophobicContact CB-CZ3 3.78Å; V17-W87 HydrophobicContact CG1-CH2 4.03Å; V17-W87 HydrophobicContact CG1-CZ3 3.95Å; V17-W87 HydrophobicContact CG2-CH2 3.78Å; V17-W87 HydrophobicContact CG2-CZ3 3.83Å; L25-W87 HydrophobicContact CD1-CH2 4.13Å; Y75-W87 HydrophobicContact CD1-CE3 4.5Å; Y75-W87 HydrophobicContact CG-CE3 4.23Å; Y75-W87 HydrophobicContact CG-CZ3 4.36Å; A77-W87 HydrophobicContact CB-CD2 3.94Å; A77-W87 HydrophobicContact CB-CE3 4.04Å; A77-W87 HydrophobicContact CB-CG 4.39Å; A77-W87 HydrophobicContact CB-CZ2 4.5Å; A77-W87 HydrophobicContact CB-CZ3 4.36Å; F84-W87 HydrophobicContact CB-CZ2 3.57Å; F84-W87 HydrophobicContact CD2-CH2 4.1Å; F84-W87 AromaticContact CD2-CZ2 3.55Å; F84-W87 HydrophobicContact CD2-CZ2 3.55Å; F84-W87 HydrophobicContact CE2-CZ2 4.49Å; F84-W87 HydrophobicContact CG-CH2 4.47Å; F84-W87 AromaticContact CG-CZ2 3.76Å; F84-W87 HydrophobicContact CG-CZ2 3.76Å; F84-W87 PolarHBondContact O-NE1 2.97Å |
| 88 | G | 96 | Very high | 90.3 | Very high | 26 Ų | 26 | 90.8 Ų | 90.8 | 27% | 0.268 | 49% | 0.487 | S | S | . | . | trans | -68.5 | 159.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | C76 G90 | C76-G88 PolarHBondContact O-N 2.6Å; G88-G90 PolarHBondContact O-N 3Å; G88-G90 VanDerWaalsContact O-N 3.09Å | ||
| 89 | Q | 95.8 | Very high | 90 | Very high | 188 Ų | 188 | 94.3 Ų | 94.3 | 88% | 0.879 | 51% | 0.508 | S | S | * | . | trans | -62.5 | -17.7 | 177.4 | -65.1 | -62.9 | -36.8 | 0 | 0 | 113.3 | ||||
| 90 | G | 96.4 | Very high | 89.9 | Confident | 32 Ų | 32 | 97.8 Ų | 97.8 | 33% | 0.33 | 53% | 0.525 | S | S | . | . | trans | 85.3 | 159.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y74 Y75 G88 | Y74-G90 CarbonylContact O-C 3.59Å; Y74-G90 WeakPolarHBondContact O-CA 3.16Å; Y75-G90 VanDerWaalsContact CD1-CA 3.49Å; G88-G90 PolarHBondContact O-N 3Å; G88-G90 VanDerWaalsContact O-N 3.09Å | ||
| 91 | T | 97.6 | Very high | 90.2 | Very high | 87 Ų | 87 | 102.6 Ų | 102.6 | 53% | 0.534 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 133.6 | 174.9 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | L73 Y74 | L73-T91 CarbonylContact C-O 3.59Å; L73-T91 WeakPolarHBondContact CA-O 3.27Å; Y74-T91 PolarHBondContact N-O 3.19Å; Y74-T91 PolarHBondContact O-N 2.95Å |
| 92 | T | 97.4 | Very high | 91.1 | Very high | 95 Ų | 95 | 95.6 Ų | 95.6 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 129.3 | 174.2 | -48.3 | 0 | 0 | 0 | 0 | 109.5 | L73 | L73-T92 WeakPolarHBondContact CD1-OG1 3.38Å |
| 93 | L | 95.8 | Very high | 91.9 | Very high | 52 Ų | 52 | 88.9 Ų | 88.9 | 27% | 0.272 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.5 | 162.1 | 177.3 | 66.3 | 0 | 0 | 0 | 108 | M63 T71 A72 Y74 V95 | M63-L93 HydrophobicContact CE-CD2 3.68Å; M63-L93 HydrophobicContact SD-CD2 3.64Å; T71-L93 WeakPolarHBondContact CA-O 3.26Å; A72-L93 PolarHBondContact N-O 3.04Å; A72-L93 VanDerWaalsContact N-O 3.12Å; A72-L93 PolarHBondContact O-N 3.01Å; Y74-L93 HydrophobicContact CD2-CB 3.93Å; Y74-L93 HydrophobicContact CE2-CB 3.83Å; Y74-L93 HydrophobicContact CE2-CD2 4.06Å; L93-V95 HydrophobicContact CD1-CG2 4.47Å; L93-V95 HydrophobicContact CD2-CG2 4.22Å; L93-V95 HydrophobicContact CG-CG2 4.05Å |
| 94 | T | 96.1 | Very high | 92.6 | Very high | 104 Ų | 104 | 90 Ų | 90 | 64% | 0.638 | 51% | 0.514 | S | S | * | . | trans | -115 | 126.2 | 174 | -55.6 | 0 | 0 | 0 | 0 | 109 | T71 | T71-T94 HydrophobicContact CG2-CG2 4.35Š| ||
| 95 | V | 93.6 | Very high | 93.1 | Very high | 28 Ų | 28 | 91.5 Ų | 91.5 | 17% | 0.17 | 53% | 0.53 | C | S | . | . | trans | -119 | 115 | 178.6 | -173.8 | 0 | 0 | 0 | 0 | 107.8 | V66 R67 S68 T71 L93 | V66-V95 HydrophobicContact CB-CG2 4.27Å; V66-V95 HydrophobicContact CG2-CG2 4.48Å; R67-V95 WeakPolarHBondContact O-CB 3.25Å; S68-V95 WeakPolarHBondContact CA-O 3.23Å; T71-V95 PolarHBondContact OG1-N 3.11Å; T71-V95 PolarHBondContact OG1-O 2.74Å; L93-V95 HydrophobicContact CD1-CG2 4.47Å; L93-V95 HydrophobicContact CD2-CG2 4.22Å; L93-V95 HydrophobicContact CG-CG2 4.05Å | ||
| 96 | S | 89.4 | Confident | 93.7 | Very high | 108 Ų | 108 | 93.8 Ų | 93.8 | 76% | 0.755 | 55% | 0.546 | S | S | * | . | trans | -92.5 | 152.6 | 172.6 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 97 | S | 78.6 | Confident | 93.9 | Very high | 177 Ų | 177 | 90.8 Ų | 90.8 | 100% | 1.238 | 55% | 0.55 | S | S | * | * | trans | -73.1 | 0 | 171.7 | 56.2 | 0 | 0 | 0 | 0 | 112.7 |
Retrieved 97 of 97 residues in 20.8 ms
(Link to these results)