| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 27.8 | Very low | 40.3 | Very low | 230 Ų | 230 | 120.2 Ų | 120.2 | 100% | 1.133 | 63% | 0.631 | S | S | * | * | 0 | 12.9 | 0 | -158.3 | 166.9 | 64.6 | 0 | 0 | 113.2 | |||||
| 2 | I | 26.6 | Very low | 44.3 | Very low | 154 Ų | 154 | 115.6 Ų | 115.6 | 79% | 0.79 | 61% | 0.608 | S | S | * | * | trans | -115.4 | -7.4 | -175.7 | -66.9 | 173.8 | 0 | 0 | 0 | 112.9 | L4 | I2-L4 PolarHBondContact O-N 2.71Š| ||
| 3 | T | 26.2 | Very low | 47.6 | Very low | 130 Ų | 130 | 107.5 Ų | 107.5 | 80% | 0.798 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 8.1 | -173.1 | -25.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 4 | L | 26.2 | Very low | 50.8 | Low | 166 Ų | 166 | 103.8 Ų | 103.8 | 87% | 0.869 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 4.9 | -167 | -94.8 | 154.8 | 0 | 0 | 0 | 116 | I2 | I2-L4 PolarHBondContact O-N 2.71Š|
| 5 | L | 26.7 | Very low | 53.8 | Low | 170 Ų | 170 | 102.4 Ų | 102.4 | 89% | 0.89 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -121.4 | -6.7 | -175.8 | -85 | 159 | 0 | 0 | 0 | 115.6 | ||
| 6 | F | 28.8 | Very low | 56.4 | Low | 145 Ų | 145 | 98.3 Ų | 98.3 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -91.6 | -9.6 | -170.8 | -102.8 | -84.4 | 0 | 0 | 0 | 116.5 | ||
| 7 | S | 36.9 | Very low | 58.7 | Low | 38 Ų | 38 | 93.5 Ų | 93.5 | 27% | 0.266 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -128.3 | -0.1 | -151.1 | -154.3 | 0 | 0 | 0 | 0 | 118.6 | I149 | S7-I149 VanDerWaalsContact OG-CA 3.27Å; S7-I149 WeakPolarHBondContact OG-CA 3.33Å; S7-I149 WeakPolarHBondContact OG-CG2 3.27Å; S7-I149 PolarHBondContact OG-O 2.89Å |
| 8 | L | 43 | Very low | 60.8 | Low | 105 Ų | 105 | 89.2 Ų | 89.2 | 55% | 0.55 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -110.4 | -28.1 | -174.1 | -65.7 | -178.9 | 0 | 0 | 0 | 115.7 | P37 | L8-P37 HydrophobicContact CD1-CG 4.3Å; L8-P37 HydrophobicContact CD2-CG 3.45Å; L8-P37 VanDerWaalsContact CD2-CG 3.45Å; L8-P37 HydrophobicContact CG-CG 4.49Å |
| 9 | N | 54.5 | Low | 62.7 | Low | 144 Ų | 144 | 89.7 Ų | 89.7 | 77% | 0.77 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -96.7 | -11.5 | 178.8 | -71.9 | -9.4 | 0 | 0 | 0 | 113.1 | N12 | N9-N12 PolarHBondContact O-ND2 3.48Š|
| 10 | C | 64.3 | Low | 64.3 | Low | 28 Ų | 28 | 86.6 Ų | 86.6 | 19% | 0.189 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -91 | -6.3 | -170.8 | -58.7 | 0 | 0 | 0 | 0 | 113.5 | S63 A64 E65 | C10-S63 CarbonylContact O-C 3.58Å; C10-S63 WeakPolarHBondContact O-CA 3.46Å; C10-S63 PolarHBondContact O-OG 3.09Å; C10-A64 HydrophobicContact CB-CB 4.14Å; C10-A64 PolarHBondContact O-N 2.96Å; C10-E65 HydrophobicContact CB-CB 4.46Å; C10-E65 HydrophobicContact CB-CG 3.76Å |
| 11 | F | 82.7 | Confident | 65.6 | Low | 12 Ų | 12 | 84.3 Ų | 84.3 | 5% | 0.053 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125.7 | 173.9 | -179.1 | -87.3 | 0 | 0 | 0 | 107.8 | F61 S62 M67 F70 F142 | F11-F61 AromaticContact CD2-CD2 3.97Å; F11-F61 HydrophobicContact CD2-CD2 3.97Å; F11-F61 HydrophobicContact CE1-CB 4.4Å; F11-F61 HydrophobicContact CE2-CB 3.83Å; F11-F61 HydrophobicContact CE2-CD1 4.48Å; F11-F61 AromaticContact CE2-CD2 3.26Å; F11-F61 HydrophobicContact CE2-CD2 3.26Å; F11-F61 AromaticContact CE2-CE2 3.87Å; F11-F61 HydrophobicContact CE2-CE2 3.87Å; F11-F61 AromaticContact CE2-CG 3.61Å; F11-F61 HydrophobicContact CE2-CG 3.61Å; F11-F61 HydrophobicContact CZ-CB 3.65Å; F11-F61 AromaticContact CZ-CD2 3.96Å; F11-F61 HydrophobicContact CZ-CD2 3.96Å; F11-F61 AromaticContact CZ-CG 3.81Å; F11-F61 HydrophobicContact CZ-CG 3.81Å; F11-S62 WeakPolarHBondContact CA-O 2.99Å; F11-M67 HydrophobicContact CD2-CE 3.92Å; F11-F70 HydrophobicContact CD2-CE2 4.45Å; F11-F70 HydrophobicContact CD2-CZ 4.23Å; F11-F70 AromaticContact CE2-CE1 3.8Å; F11-F70 HydrophobicContact CE2-CE1 3.8Å; F11-F70 AromaticContact CE2-CE2 3.92Å; F11-F70 HydrophobicContact CE2-CE2 3.92Å; F11-F70 AromaticContact CE2-CZ 3.3Å; F11-F70 HydrophobicContact CE2-CZ 3.3Å; F11-F70 HydrophobicContact CZ-CE1 4.24Å; F11-F70 HydrophobicContact CZ-CE2 4.41Å; F11-F70 AromaticContact CZ-CZ 3.59Å; F11-F70 HydrophobicContact CZ-CZ 3.59Å; F11-F142 HydrophobicContact CD1-CD1 4.45Å; F11-F142 AromaticContact CE1-CD1 3.81Å; F11-F142 HydrophobicContact CE1-CD1 3.81Å; F11-F142 AromaticContact CE1-CE1 3.59Å; F11-F142 HydrophobicContact CE1-CE1 3.59Å; F11-F142 HydrophobicContact CE1-CZ 4.37Å; F11-F142 AromaticContact CZ-CD1 3.93Å; F11-F142 HydrophobicContact CZ-CD1 3.93Å; F11-F142 AromaticContact CZ-CE1 3.83Å; F11-F142 HydrophobicContact CZ-CE1 3.83Å |
| 12 | N | 88.5 | Confident | 68.6 | Low | 65 Ų | 65 | 79 Ų | 79 | 35% | 0.348 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 132.5 | 176.2 | -58.9 | -75.1 | 0 | 0 | 0 | 109.3 | N9 N14 D33 F61 S62 | N9-N12 PolarHBondContact O-ND2 3.48Å; N12-N14 PolarHBondContact O-N 2.74Å; N12-D33 WeakPolarHBondContact CA-OD2 3.49Å; N12-D33 PolarHBondContact OD1-OD2 2.7Å; N12-F61 CarbonylContact O-C 3.56Å; N12-F61 WeakPolarHBondContact O-CA 3.33Å; N12-F61 WeakPolarHBondContact O-CB 3.24Å; N12-S62 PolarHBondContact N-O 3.31Å; N12-S62 VanDerWaalsContact N-O 3.07Å; N12-S62 PolarHBondContact O-N 3.11Å |
| 13 | S | 86.4 | Confident | 71.9 | Confident | 11 Ų | 11 | 76.2 Ų | 76.2 | 8% | 0.077 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 111.2 | 168 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | D33 | S13-D33 VanDerWaalsContact CB-OD1 3.26Å; S13-D33 WeakPolarHBondContact CB-OD1 3.43Å; S13-D33 PolarHBondContact N-OD1 2.76Å; S13-D33 VanDerWaalsContact N-OD1 3.1Å; S13-D33 PolarHBondContact N-OD2 2.87Å; S13-D33 WeakPolarHBondContact O-CA 3.5Å; S13-D33 WeakPolarHBondContact O-CB 2.89Å |
| 14 | N | 92.6 | Very high | 75.1 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -42.8 | -176.8 | -59.3 | -34.6 | 0 | 0 | 0 | 111.9 | N12 N60 S62 | N12-N14 PolarHBondContact O-N 2.74Å; N14-N60 HydrophobicContact CB-CB 4.46Å; N14-N60 WeakPolarHBondContact CB-OD1 3.34Å; N14-N60 PolarHBondContact N-O 3.49Å; N14-N60 PolarHBondContact ND2-OD1 2.79Å; N14-S62 PolarHBondContact ND2-OG 3.02Å |
| 15 | W | 95.9 | Very high | 78.5 | Confident | 83 Ų | 83 | 70.2 Ų | 70.2 | 31% | 0.314 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 159 | 174.4 | 53.1 | -98.2 | 0 | 0 | 0 | 110.7 | N17 S30 E58 N60 T113 | W15-N17 WeakPolarHBondContact CZ3-ND2 3.43Å; W15-S30 CarbonylContact C-O 3.51Å; W15-S30 WeakPolarHBondContact CA-O 3.49Å; W15-S30 WeakPolarHBondContact CB-O 3.42Å; W15-E58 HydrophobicContact CH2-CG 3.8Å; W15-E58 WeakPolarHBondContact CH2-OE1 3.35Å; W15-E58 HydrophobicContact CZ3-CB 4.12Å; W15-E58 HydrophobicContact CZ3-CG 3.68Å; W15-E58 WeakPolarHBondContact CZ3-OE1 3.43Å; W15-N60 HydrophobicContact CD2-CB 3.43Å; W15-N60 VanDerWaalsContact CD2-CB 3.43Å; W15-N60 HydrophobicContact CE3-CB 3.94Å; W15-N60 HydrophobicContact CG-CB 3.92Å; W15-N60 HydrophobicContact CH2-CB 3.81Å; W15-N60 HydrophobicContact CZ2-CB 3.33Å; W15-N60 HydrophobicContact CZ3-CB 4.09Å; W15-N60 PolarHBondContact N-O 3.07Å; W15-N60 VanDerWaalsContact NE1-CB 3.32Å; W15-N60 PolarHBondContact O-N 3.31Å; W15-T113 HydrophobicContact CH2-CG2 3.88Å |
| 16 | M | 95.6 | Very high | 81.8 | Confident | 37 Ų | 37 | 65.4 Ų | 65.4 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 141.7 | 173.4 | -176.9 | 170.7 | 69.5 | 0 | 0 | 110 | W28 Q29 S30 L34 R57 E58 I59 | M16-W28 HydrophobicContact CB-CZ3 4.07Å; M16-W28 HydrophobicContact CE-CE3 4.45Å; M16-W28 HydrophobicContact CE-CH2 3.67Å; M16-W28 HydrophobicContact CE-CZ3 3.4Å; M16-W28 HydrophobicContact CG-CZ3 4.08Å; M16-Q29 CarbonylContact O-C 3.57Å; M16-Q29 VanDerWaalsContact O-CA 3.27Å; M16-Q29 WeakPolarHBondContact O-CA 3.26Å; M16-S30 PolarHBondContact N-O 3.33Å; M16-S30 PolarHBondContact O-N 3.31Å; M16-L34 HydrophobicContact CE-CD1 3.64Å; M16-R57 HydrophobicContact CG-CG 4.11Å; M16-R57 HydrophobicContact SD-CG 4.08Å; M16-E58 CarbonylContact C-O 3.58Å; M16-E58 VanDerWaalsContact CA-O 3.27Å; M16-E58 WeakPolarHBondContact CA-O 3.09Å; M16-E58 WeakPolarHBondContact CG-O 3.27Å; M16-I59 HydrophobicContact CG-CG1 3.96Å; M16-I59 HydrophobicContact SD-CD1 4.31Å; M16-I59 HydrophobicContact SD-CG1 3.88Å |
| 17 | N | 95.8 | Very high | 85 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 9% | 0.086 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 152.9 | 170.1 | 72.9 | 64.6 | 0 | 0 | 0 | 111.8 | W15 L26 W28 Q29 R57 E58 | W15-N17 WeakPolarHBondContact CZ3-ND2 3.43Å; N17-L26 HydrophobicContact CB-CD1 3.99Å; N17-W28 CarbonylContact C-O 3.59Å; N17-W28 WeakPolarHBondContact CA-O 3.25Å; N17-Q29 HydrophobicContact CB-CB 4.09Å; N17-R57 WeakPolarHBondContact O-CA 3.37Å; N17-E58 PolarHBondContact N-O 3.13Å; N17-E58 PolarHBondContact ND2-OE1 3.07Å; N17-E58 PolarHBondContact O-N 2.79Å |
| 18 | L | 96.2 | Very high | 87.8 | Confident | 17 Ų | 17 | 59 Ų | 59 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.1 | 174.3 | -58.7 | 175.2 | 0 | 0 | 0 | 108.7 | L27 W28 L45 I55 S56 R57 | L18-L27 PolarHBondContact O-N 3.46Å; L18-W28 HydrophobicContact CB-CB 4.29Å; L18-W28 HydrophobicContact CD1-CB 4.34Å; L18-W28 HydrophobicContact CD1-CD2 4.47Å; L18-W28 HydrophobicContact CD1-CE3 3.99Å; L18-W28 HydrophobicContact CG-CE3 3.93Å; L18-W28 PolarHBondContact N-O 3.16Å; L18-W28 PolarHBondContact O-N 2.84Å; L18-L45 HydrophobicContact CD1-CD2 3.49Å; L18-L45 VanDerWaalsContact CD1-CD2 3.49Å; L18-I55 HydrophobicContact CB-CG2 4.02Å; L18-I55 HydrophobicContact CD2-CG2 3.9Å; L18-I55 HydrophobicContact CG-CG2 4.41Å; L18-S56 CarbonylContact C-O 3.51Å; L18-S56 WeakPolarHBondContact CA-O 3.4Å; L18-R57 HydrophobicContact CD2-CB 3.65Å; L18-R57 HydrophobicContact CD2-CG 3.67Å |
| 19 | R | 96.6 | Very high | 90.3 | Very high | 99 Ų | 99 | 60.3 Ų | 60.3 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 151.4 | 175.7 | -66.8 | 173.4 | -179.5 | -85.2 | -1.8 | 109.8 | G21 G24 K25 L26 I55 S56 | R19-G21 PolarHBondContact O-N 2.96Å; R19-G24 PolarHBondContact NH1-O 2.86Å; R19-K25 CarbonylContact C-O 3.6Å; R19-K25 WeakPolarHBondContact CA-O 3.42Å; R19-K25 WeakPolarHBondContact CB-O 3.47Å; R19-L26 HydrophobicContact CG-CD1 4.18Å; R19-I55 CarbonylContact O-C 3.6Å; R19-I55 WeakPolarHBondContact O-CA 3.13Å; R19-S56 PolarHBondContact N-O 2.95Å; R19-S56 PolarHBondContact O-N 3.07Å |
| 20 | D | 94.3 | Very high | 92.3 | Very high | 27 Ų | 27 | 54.5 Ų | 54.5 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 122.3 | 164 | -176.2 | -54.9 | 0 | 0 | 0 | 108.3 | E22 T23 G24 K25 L27 C52 | D20-E22 PolarHBondContact O-N 2.97Å; D20-E22 WeakPolarHBondContact OD1-CA 3.48Å; D20-E22 WeakPolarHBondContact OD1-CB 3.17Å; D20-E22 PolarHBondContact OD1-N 2.79Å; D20-T23 VanDerWaalsContact CB-OG1 3.27Å; D20-T23 WeakPolarHBondContact CB-OG1 3.33Å; D20-T23 VanDerWaalsContact CG-OG1 3.26Å; D20-T23 PolarHBondContact OD1-N 2.81Å; D20-T23 PolarHBondContact OD1-OG1 2.95Å; D20-G24 VanDerWaalsContact O-CA 3.26Å; D20-G24 WeakPolarHBondContact O-CA 3.43Å; D20-G24 PolarHBondContact O-N 2.86Å; D20-K25 HydrophobicContact CB-CB 4.35Å; D20-K25 PolarHBondContact N-O 2.89Å; D20-L27 HydrophobicContact CB-CD1 4.16Å; D20-L27 HydrophobicContact CB-CG 4.39Å; D20-C52 PolarHBondContact OD2-SG 2.83Å |
| 21 | G | 91.8 | Very high | 93.7 | Very high | 38 Ų | 38 | 58 Ų | 58 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R19 V54 | R19-G21 PolarHBondContact O-N 2.96Å; G21-V54 WeakPolarHBondContact CA-O 3.4Å; G21-V54 PolarHBondContact N-O 2.87Å |
| 22 | E | 92.2 | Very high | 94.2 | Very high | 118 Ų | 118 | 63 Ų | 63 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -39.4 | 178.6 | -59.5 | -170.9 | 156 | 0 | 0 | 111.7 | D20 R53 | D20-E22 PolarHBondContact O-N 2.97Å; D20-E22 WeakPolarHBondContact OD1-CA 3.48Å; D20-E22 WeakPolarHBondContact OD1-CB 3.17Å; D20-E22 PolarHBondContact OD1-N 2.79Å; E22-R53 IonicContact OE1-CZ 2.67Å; E22-R53 IonicContact OE1-NE 3.37Å; E22-R53 PolarHBondContact OE1-NE 2.82Å; E22-R53 IonicContact OE1-NH2 3.77Å; E22-R53 PolarHBondContact OE1-NH2 2.91Å |
| 23 | T | 94.8 | Very high | 94.4 | Very high | 97 Ų | 97 | 61.1 Ų | 61.1 | 60% | 0.595 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -15.2 | -174.4 | 67.4 | 0 | 0 | 0 | 0 | 114.2 | D20 K25 | D20-T23 VanDerWaalsContact CB-OG1 3.27Å; D20-T23 WeakPolarHBondContact CB-OG1 3.33Å; D20-T23 VanDerWaalsContact CG-OG1 3.26Å; D20-T23 PolarHBondContact OD1-N 2.81Å; D20-T23 PolarHBondContact OD1-OG1 2.95Å; T23-K25 PolarHBondContact O-N 2.99Å; T23-K25 WeakPolarHBondContact OG1-CB 3.46Å; T23-K25 PolarHBondContact OG1-N 2.89Å |
| 24 | G | 94.5 | Very high | 94.7 | Very high | 38 Ų | 38 | 61.3 Ų | 61.3 | 39% | 0.392 | 32% | 0.324 | S | S | . | . | trans | 71.2 | 0.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R19 D20 L26 | R19-G24 PolarHBondContact NH1-O 2.86Å; D20-G24 VanDerWaalsContact O-CA 3.26Å; D20-G24 WeakPolarHBondContact O-CA 3.43Å; D20-G24 PolarHBondContact O-N 2.86Å; G24-L26 PolarHBondContact O-N 2.96Å | ||
| 25 | K | 96.2 | Very high | 94.6 | Very high | 131 Ų | 131 | 59 Ų | 59 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | trans | -60 | 129.5 | 179.2 | 179.7 | -177.8 | 174.3 | -175 | 0 | 110.2 | R19 D20 T23 L27 | R19-K25 CarbonylContact C-O 3.6Å; R19-K25 WeakPolarHBondContact CA-O 3.42Å; R19-K25 WeakPolarHBondContact CB-O 3.47Å; D20-K25 HydrophobicContact CB-CB 4.35Å; D20-K25 PolarHBondContact N-O 2.89Å; T23-K25 PolarHBondContact O-N 2.99Å; T23-K25 WeakPolarHBondContact OG1-CB 3.46Å; T23-K25 PolarHBondContact OG1-N 2.89Å; K25-L27 PolarHBondContact O-N 2.99Å | ||
| 26 | L | 96.5 | Very high | 94.4 | Very high | 69 Ų | 69 | 58.6 Ų | 58.6 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 123.6 | 172 | -174 | 69.5 | 0 | 0 | 0 | 110.3 | N17 R19 G24 | N17-L26 HydrophobicContact CB-CD1 3.99Å; R19-L26 HydrophobicContact CG-CD1 4.18Å; G24-L26 PolarHBondContact O-N 2.96Å |
| 27 | L | 94.9 | Very high | 94.3 | Very high | 19 Ų | 19 | 59 Ų | 59 | 10% | 0.099 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -39.2 | 179 | -62.2 | 174.5 | 0 | 0 | 0 | 111.3 | L18 D20 K25 P46 V49 | L18-L27 PolarHBondContact O-N 3.46Å; D20-L27 HydrophobicContact CB-CD1 4.16Å; D20-L27 HydrophobicContact CB-CG 4.39Å; K25-L27 PolarHBondContact O-N 2.99Å; L27-P46 HydrophobicContact CB-CG 4.32Å; L27-P46 WeakPolarHBondContact O-CD 3.41Å; L27-P46 VanDerWaalsContact O-CG 3.28Å; L27-P46 WeakPolarHBondContact O-CG 3.3Å; L27-V49 HydrophobicContact CD1-CB 4.41Å; L27-V49 HydrophobicContact CD1-CG2 4Å |
| 28 | W | 96.5 | Very high | 94 | Very high | 29 Ų | 29 | 62.7 Ų | 62.7 | 11% | 0.11 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 151.1 | -175.9 | 179.3 | 86.1 | 0 | 0 | 0 | 110.8 | M16 N17 L18 L34 A43 H44 L45 | M16-W28 HydrophobicContact CB-CZ3 4.07Å; M16-W28 HydrophobicContact CE-CE3 4.45Å; M16-W28 HydrophobicContact CE-CH2 3.67Å; M16-W28 HydrophobicContact CE-CZ3 3.4Å; M16-W28 HydrophobicContact CG-CZ3 4.08Å; N17-W28 CarbonylContact C-O 3.59Å; N17-W28 WeakPolarHBondContact CA-O 3.25Å; L18-W28 HydrophobicContact CB-CB 4.29Å; L18-W28 HydrophobicContact CD1-CB 4.34Å; L18-W28 HydrophobicContact CD1-CD2 4.47Å; L18-W28 HydrophobicContact CD1-CE3 3.99Å; L18-W28 HydrophobicContact CG-CE3 3.93Å; L18-W28 PolarHBondContact N-O 3.16Å; L18-W28 PolarHBondContact O-N 2.84Å; W28-L34 HydrophobicContact CH2-CD1 3.78Å; W28-L34 HydrophobicContact CZ2-CD1 4.46Å; W28-A43 HydrophobicContact CZ2-CB 4.02Å; W28-H44 PolarHBondContact NE1-O 2.59Å; W28-L45 HydrophobicContact CB-CG 4.48Å; W28-L45 HydrophobicContact CG-CG 4.26Å |
| 29 | Q | 96.7 | Very high | 93.7 | Very high | 133 Ų | 133 | 65.7 Ų | 65.7 | 62% | 0.621 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149 | 152.6 | 169.7 | 69.1 | 177.7 | 46.7 | 0 | 0 | 110.7 | M16 N17 | M16-Q29 CarbonylContact O-C 3.57Å; M16-Q29 VanDerWaalsContact O-CA 3.27Å; M16-Q29 WeakPolarHBondContact O-CA 3.26Å; N17-Q29 HydrophobicContact CB-CB 4.09Å |
| 30 | S | 94.6 | Very high | 93.6 | Very high | 23 Ų | 23 | 65.1 Ų | 65.1 | 16% | 0.161 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 151.7 | 168.9 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | W15 M16 E32 | W15-S30 CarbonylContact C-O 3.51Å; W15-S30 WeakPolarHBondContact CA-O 3.49Å; W15-S30 WeakPolarHBondContact CB-O 3.42Å; M16-S30 PolarHBondContact N-O 3.33Å; M16-S30 PolarHBondContact O-N 3.31Å; S30-E32 WeakPolarHBondContact OG-CB 3.33Å; S30-E32 PolarHBondContact OG-N 3.31Å |
| 31 | S | 95 | Very high | 93.6 | Very high | 101 Ų | 101 | 64.6 Ų | 64.6 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | trans | -108.6 | 10.2 | 169.4 | 59.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 32 | E | 92.7 | Very high | 93.8 | Very high | 117 Ų | 117 | 67.7 Ų | 67.7 | 55% | 0.547 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -79.8 | 144.7 | 173.8 | -64.3 | 178.6 | 177.6 | 0 | 0 | 110.5 | S30 L34 | S30-E32 WeakPolarHBondContact OG-CB 3.33Å; S30-E32 PolarHBondContact OG-N 3.31Å; E32-L34 HydrophobicContact CB-CD2 4.43Å; E32-L34 PolarHBondContact O-N 2.77Å |
| 33 | D | 92.6 | Very high | 94 | Very high | 26 Ų | 26 | 62.3 Ų | 62.3 | 14% | 0.139 | 36% | 0.357 | C | S | . | . | trans | -80.5 | 90.6 | 176.3 | -171.1 | -7 | 0 | 0 | 0 | 111.4 | N12 S13 S35 I36 H41 | N12-D33 WeakPolarHBondContact CA-OD2 3.49Å; N12-D33 PolarHBondContact OD1-OD2 2.7Å; S13-D33 VanDerWaalsContact CB-OD1 3.26Å; S13-D33 WeakPolarHBondContact CB-OD1 3.43Å; S13-D33 PolarHBondContact N-OD1 2.76Å; S13-D33 VanDerWaalsContact N-OD1 3.1Å; S13-D33 PolarHBondContact N-OD2 2.87Å; S13-D33 WeakPolarHBondContact O-CA 3.5Å; S13-D33 WeakPolarHBondContact O-CB 2.89Å; D33-S35 PolarHBondContact O-N 2.89Å; D33-S35 WeakPolarHBondContact OD1-CA 3.29Å; D33-S35 VanDerWaalsContact OD1-CB 3.26Å; D33-S35 WeakPolarHBondContact OD1-CB 3.15Å; D33-S35 PolarHBondContact OD1-N 2.91Å; D33-S35 PolarHBondContact OD1-OG 3.18Å; D33-I36 HydrophobicContact CB-CD1 3.92Å; D33-I36 HydrophobicContact CB-CG1 4.09Å; D33-I36 WeakPolarHBondContact O-CG1 2.93Å; D33-H41 PolarHBondContact O-CE1 3.04Å | ||
| 34 | L | 91.9 | Very high | 94 | Very high | 15 Ų | 15 | 62.4 Ų | 62.4 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 3.4 | 177.9 | -57.5 | 179.9 | 0 | 0 | 0 | 113.8 | M16 W28 E32 H41 S152 V154 | M16-L34 HydrophobicContact CE-CD1 3.64Å; W28-L34 HydrophobicContact CH2-CD1 3.78Å; W28-L34 HydrophobicContact CZ2-CD1 4.46Å; E32-L34 HydrophobicContact CB-CD2 4.43Å; E32-L34 PolarHBondContact O-N 2.77Å; L34-H41 HydrophobicContact CD2-CB 3.64Å; L34-S152 WeakPolarHBondContact O-CB 3.41Å; L34-S152 PolarHBondContact O-OG 3.18Å; L34-V154 HydrophobicContact CB-CG2 4.23Å; L34-V154 HydrophobicContact CD1-CG2 4.49Å |
| 35 | S | 91.7 | Very high | 94 | Very high | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -11.5 | 176.7 | 78.1 | 0 | 0 | 0 | 0 | 113.3 | D33 P37 | D33-S35 PolarHBondContact O-N 2.89Å; D33-S35 WeakPolarHBondContact OD1-CA 3.29Å; D33-S35 VanDerWaalsContact OD1-CB 3.26Å; D33-S35 WeakPolarHBondContact OD1-CB 3.15Å; D33-S35 PolarHBondContact OD1-N 2.91Å; D33-S35 PolarHBondContact OD1-OG 3.18Å; S35-P37 WeakPolarHBondContact O-CD 3.12Å |
| 36 | I | 91.6 | Very high | 93.8 | Very high | 75 Ų | 75 | 56.7 Ų | 56.7 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | trans | -62.3 | 123.2 | 179.9 | -62.2 | 168.2 | 0 | 0 | 0 | 109.8 | D33 L39 H41 | D33-I36 HydrophobicContact CB-CD1 3.92Å; D33-I36 HydrophobicContact CB-CG1 4.09Å; D33-I36 WeakPolarHBondContact O-CG1 2.93Å; I36-L39 HydrophobicContact CB-CD2 4.13Å; I36-L39 HydrophobicContact CG2-CD2 3.55Å; I36-L39 HydrophobicContact CG2-CG 4.42Å; I36-H41 PolarHBondContact O-NE2 3.48Å | ||
| 37 | P | 92.3 | Very high | 93.5 | Very high | 44 Ų | 44 | 55.2 Ų | 55.2 | 29% | 0.286 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -81.5 | 170.5 | 178.2 | 34.3 | -36.8 | 0 | 0 | 0 | 112.4 | L8 S35 L39 T151 | L8-P37 HydrophobicContact CD1-CG 4.3Å; L8-P37 HydrophobicContact CD2-CG 3.45Å; L8-P37 VanDerWaalsContact CD2-CG 3.45Å; L8-P37 HydrophobicContact CG-CG 4.49Å; S35-P37 WeakPolarHBondContact O-CD 3.12Å; P37-L39 PolarHBondContact O-N 3.47Å; P37-T151 WeakPolarHBondContact CA-O 3.48Å; P37-T151 WeakPolarHBondContact CB-O 3.37Å |
| 38 | G | 90.1 | Very high | 93.2 | Very high | 94 Ų | 94 | 57.5 Ų | 57.5 | 97% | 0.969 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 78.7 | -8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 39 | L | 89.6 | Confident | 92.9 | Very high | 81 Ų | 81 | 56.4 Ų | 56.4 | 42% | 0.424 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -123.1 | 147.1 | 172.1 | 79.6 | 94.4 | 0 | 0 | 0 | 110.3 | I36 P37 H41 | I36-L39 HydrophobicContact CB-CD2 4.13Å; I36-L39 HydrophobicContact CG2-CD2 3.55Å; I36-L39 HydrophobicContact CG2-CG 4.42Å; P37-L39 PolarHBondContact O-N 3.47Å; L39-H41 HydrophobicContact CD1-CB 4.32Å; L39-H41 WeakPolarHBondContact CD1-CE1 3.33Å; L39-H41 VanDerWaalsContact CD1-CG 3.49Å; L39-H41 VanDerWaalsContact CD1-ND1 3.33Å; L39-H41 WeakPolarHBondContact CD1-ND1 3.48Å; L39-H41 WeakPolarHBondContact CD1-NE2 3.34Å |
| 40 | E | 94.2 | Very high | 92.4 | Very high | 86 Ų | 86 | 52.2 Ų | 52.2 | 40% | 0.402 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 105.3 | 173.1 | -171.4 | -179.2 | 87 | 0 | 0 | 108.7 | R153 R155 | E40-R153 HydrophobicContact CG-CB 4.49Å; E40-R155 HydrophobicContact CG-CB 4.22Å; E40-R155 IonicContact OE1-CZ 2.77Å; E40-R155 IonicContact OE1-NE 3.22Å; E40-R155 PolarHBondContact OE1-NE 2.81Å; E40-R155 IonicContact OE1-NH2 3.15Å; E40-R155 PolarHBondContact OE1-NH2 3.02Å; E40-R155 IonicContact OE2-CZ 2.74Å; E40-R155 IonicContact OE2-NE 2.82Å; E40-R155 IonicContact OE2-NH2 2.81Å; E40-R155 PolarHBondContact OE2-NH2 2.93Å |
| 41 | H | 95.3 | Very high | 91.9 | Very high | 16 Ų | 16 | 59.5 Ų | 59.5 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 164.4 | 178.1 | -59.8 | -93.4 | 0 | 0 | 0 | 110.5 | D33 L34 I36 L39 R153 V154 R155 | D33-H41 PolarHBondContact O-CE1 3.04Å; L34-H41 HydrophobicContact CD2-CB 3.64Å; I36-H41 PolarHBondContact O-NE2 3.48Å; L39-H41 HydrophobicContact CD1-CB 4.32Å; L39-H41 WeakPolarHBondContact CD1-CE1 3.33Å; L39-H41 VanDerWaalsContact CD1-CG 3.49Å; L39-H41 VanDerWaalsContact CD1-ND1 3.33Å; L39-H41 WeakPolarHBondContact CD1-ND1 3.48Å; L39-H41 WeakPolarHBondContact CD1-NE2 3.34Å; H41-R153 PolarHBondContact CD2-O 3.37Å; H41-R153 PolarHBondContact N-O 2.83Å; H41-V154 HydrophobicContact CB-CB 4.46Å; H41-V154 HydrophobicContact CB-CG1 4.28Å; H41-V154 HydrophobicContact CB-CG2 4.15Å; H41-V154 CarbonylContact O-C 3.51Å; H41-V154 WeakPolarHBondContact O-CA 3.11Å; H41-R155 PolarHBondContact O-N 2.91Å |
| 42 | Q | 96.2 | Very high | 91.6 | Very high | 103 Ų | 103 | 55.4 Ų | 55.4 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.4 | 175.5 | -60.6 | -173.4 | -1.8 | 0 | 0 | 110.5 | R155 F157 | Q42-R155 WeakPolarHBondContact CA-O 3.37Å; Q42-F157 HydrophobicContact CB-CD2 4.41Å; Q42-F157 HydrophobicContact CB-CE2 4.13Å; Q42-F157 HydrophobicContact CG-CE2 3.94Å |
| 43 | A | 95.4 | Very high | 91.3 | Very high | 6 Ų | 6 | 57 Ų | 57 | 5% | 0.05 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 129.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | W28 L45 V154 R155 L156 F157 | W28-A43 HydrophobicContact CZ2-CB 4.02Å; A43-L45 HydrophobicContact CB-CD1 3.85Å; A43-V154 HydrophobicContact CB-CG1 3.8Å; A43-R155 PolarHBondContact N-O 2.93Å; A43-L156 HydrophobicContact CB-CD2 3.98Å; A43-F157 PolarHBondContact O-N 2.91Å |
| 44 | H | 96.2 | Very high | 91.3 | Very high | 98 Ų | 98 | 56.6 Ų | 56.6 | 45% | 0.454 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 103.1 | 178.2 | -64.2 | -95.9 | 0 | 0 | 0 | 109.1 | W28 F157 V159 | W28-H44 PolarHBondContact NE1-O 2.59Å; H44-F157 WeakPolarHBondContact CA-O 3.28Å; H44-F157 AromaticContact CE1-CD2 3.82Å; H44-F157 AromaticContact CE1-CG 3.88Å; H44-V159 HydrophobicContact CB-CG2 4.26Å |
| 45 | L | 93.8 | Very high | 91.3 | Very high | 9 Ų | 9 | 57.3 Ų | 57.3 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 148.5 | -177.9 | -62.9 | 94.5 | 0 | 0 | 0 | 110.1 | L18 W28 A43 A47 V49 L156 F157 Y158 V159 | L18-L45 HydrophobicContact CD1-CD2 3.49Å; L18-L45 VanDerWaalsContact CD1-CD2 3.49Å; W28-L45 HydrophobicContact CB-CG 4.48Å; W28-L45 HydrophobicContact CG-CG 4.26Å; A43-L45 HydrophobicContact CB-CD1 3.85Å; L45-A47 PolarHBondContact O-N 2.88Å; L45-V49 HydrophobicContact CB-CG1 4.07Å; L45-V49 HydrophobicContact CD2-CG1 4.28Å; L45-V49 HydrophobicContact CD2-CG2 4.27Å; L45-L156 HydrophobicContact CD1-CB 4.27Å; L45-L156 HydrophobicContact CD1-CD2 3.89Å; L45-L156 HydrophobicContact CD1-CG 4.46Å; L45-F157 PolarHBondContact N-O 3.09Å; L45-Y158 CarbonylContact O-C 3.56Å; L45-Y158 WeakPolarHBondContact O-CA 3.16Å; L45-V159 PolarHBondContact O-N 2.88Å |
| 46 | P | 92.7 | Very high | 91.5 | Very high | 40 Ų | 40 | 58.9 Ų | 58.9 | 26% | 0.26 | 32% | 0.324 | S | S | . | . | trans | -63.7 | 136 | 170.7 | 28.5 | -34.9 | 0 | 0 | 0 | 109.9 | L27 T48 V49 V159 | L27-P46 HydrophobicContact CB-CG 4.32Å; L27-P46 WeakPolarHBondContact O-CD 3.41Å; L27-P46 VanDerWaalsContact O-CG 3.28Å; L27-P46 WeakPolarHBondContact O-CG 3.3Å; P46-T48 PolarHBondContact O-N 3.04Å; P46-V49 WeakPolarHBondContact O-CB 3.43Å; P46-V49 VanDerWaalsContact O-CG1 3.24Å; P46-V49 WeakPolarHBondContact O-CG1 3.25Å; P46-V49 PolarHBondContact O-N 2.91Å; P46-V159 CarbonylContact C-O 3.56Å; P46-V159 VanDerWaalsContact CA-O 3.31Å; P46-V159 WeakPolarHBondContact CA-O 3.33Å | ||
| 47 | A | 89.7 | Confident | 91.7 | Very high | 38 Ų | 38 | 55.5 Ų | 55.5 | 31% | 0.314 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -55.4 | -20.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L45 V49 L50 V159 | L45-A47 PolarHBondContact O-N 2.88Å; A47-V49 PolarHBondContact O-N 3.32Å; A47-L50 PolarHBondContact O-N 2.86Å; A47-V159 PolarHBondContact N-O 3.44Å |
| 48 | T | 88.6 | Confident | 92 | Very high | 67 Ų | 67 | 55.1 Ų | 55.1 | 41% | 0.411 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -60.7 | -23.4 | 173.8 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | P46 L50 K51 | P46-T48 PolarHBondContact O-N 3.04Å; T48-L50 PolarHBondContact O-N 2.94Å; T48-K51 WeakPolarHBondContact O-CB 3.15Å; T48-K51 PolarHBondContact O-N 3.1Å |
| 49 | V | 89.2 | Confident | 92.2 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -58.6 | -31.3 | 177.7 | 73.9 | 0 | 0 | 0 | 0 | 112.4 | L27 L45 P46 A47 K51 C52 I55 Y158 | L27-V49 HydrophobicContact CD1-CB 4.41Å; L27-V49 HydrophobicContact CD1-CG2 4Å; L45-V49 HydrophobicContact CB-CG1 4.07Å; L45-V49 HydrophobicContact CD2-CG1 4.28Å; L45-V49 HydrophobicContact CD2-CG2 4.27Å; P46-V49 WeakPolarHBondContact O-CB 3.43Å; P46-V49 VanDerWaalsContact O-CG1 3.24Å; P46-V49 WeakPolarHBondContact O-CG1 3.25Å; P46-V49 PolarHBondContact O-N 2.91Å; A47-V49 PolarHBondContact O-N 3.32Å; V49-K51 PolarHBondContact O-N 2.97Å; V49-C52 WeakPolarHBondContact O-CB 2.89Å; V49-C52 PolarHBondContact O-N 2.87Å; V49-C52 VanDerWaalsContact O-N 3.14Å; V49-I55 HydrophobicContact CG2-CD1 3.41Å; V49-I55 VanDerWaalsContact CG2-CD1 3.41Å; V49-I55 HydrophobicContact CG2-CG1 4.08Å; V49-Y158 HydrophobicContact CG1-CD1 3.79Å; V49-Y158 HydrophobicContact CG1-CE1 3.71Å |
| 50 | L | 86.4 | Confident | 92.5 | Very high | 44 Ų | 44 | 48.4 Ų | 48.4 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -69.1 | -11.7 | 178.9 | -64.8 | 172.4 | 0 | 0 | 0 | 113.3 | A47 T48 A129 L132 Y158 | A47-L50 PolarHBondContact O-N 2.86Å; T48-L50 PolarHBondContact O-N 2.94Å; L50-A129 HydrophobicContact CD1-CB 3.51Å; L50-L132 HydrophobicContact CD1-CD1 4.06Å; L50-L132 HydrophobicContact CD2-CD1 3.7Å; L50-Y158 HydrophobicContact CD1-CD1 3.84Å; L50-Y158 HydrophobicContact CD1-CD2 4.37Å; L50-Y158 HydrophobicContact CD1-CE1 4.13Å; L50-Y158 HydrophobicContact CD1-CG 3.96Å; L50-Y158 HydrophobicContact CD2-CD1 4.06Å; L50-Y158 HydrophobicContact CD2-CE1 3.48Å; L50-Y158 VanDerWaalsContact CD2-CE1 3.48Å; L50-Y158 HydrophobicContact CD2-CE2 4.47Å; L50-Y158 HydrophobicContact CG-CD1 3.78Å; L50-Y158 HydrophobicContact CG-CE1 3.73Å; L50-Y158 HydrophobicContact CG-CG 4.41Å |
| 51 | K | 85.8 | Confident | 92.6 | Very high | 177 Ų | 177 | 44.3 Ų | 44.3 | 77% | 0.77 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -96.2 | -10.9 | 176.9 | -57 | -179.3 | -179.8 | 179.8 | 0 | 112.4 | T48 V49 | T48-K51 WeakPolarHBondContact O-CB 3.15Å; T48-K51 PolarHBondContact O-N 3.1Å; V49-K51 PolarHBondContact O-N 2.97Å |
| 52 | C | 87.7 | Confident | 92.6 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 10% | 0.101 | 23% | 0.229 | C | C | . | . | trans | -73.6 | 128.5 | -179.3 | -63.3 | 0 | 0 | 0 | 0 | 109.7 | D20 V49 V54 I55 | D20-C52 PolarHBondContact OD2-SG 2.83Å; V49-C52 WeakPolarHBondContact O-CB 2.89Å; V49-C52 PolarHBondContact O-N 2.87Å; V49-C52 VanDerWaalsContact O-N 3.14Å; C52-V54 VanDerWaalsContact C-N 3.35Å; C52-I55 HydrophobicContact CB-CG1 3.99Å | ||
| 53 | R | 87.3 | Confident | 92.6 | Very high | 150 Ų | 150 | 40.2 Ų | 40.2 | 57% | 0.566 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -68.7 | -38.4 | 172.6 | -173.9 | 179 | 63.7 | 84.4 | 3.8 | 111.5 | E22 A120 | E22-R53 IonicContact OE1-CZ 2.67Å; E22-R53 IonicContact OE1-NE 3.37Å; E22-R53 PolarHBondContact OE1-NE 2.82Å; E22-R53 IonicContact OE1-NH2 3.77Å; E22-R53 PolarHBondContact OE1-NH2 2.91Å; R53-A120 PolarHBondContact O-N 3.26Å |
| 54 | V | 90.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 135.3 | 177.9 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | G21 C52 A117 I118 E119 | G21-V54 WeakPolarHBondContact CA-O 3.4Å; G21-V54 PolarHBondContact N-O 2.87Å; C52-V54 VanDerWaalsContact C-N 3.35Å; V54-A117 HydrophobicContact CG1-CB 4.09Å; V54-I118 WeakPolarHBondContact CA-O 3.36Å; V54-E119 HydrophobicContact CG2-CG 4.24Å |
| 55 | I | 93.4 | Very high | 92.3 | Very high | 30 Ų | 30 | 41.2 Ų | 41.2 | 15% | 0.154 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.1 | 169.9 | -60.7 | 166.1 | 0 | 0 | 0 | 107.2 | L18 R19 V49 C52 I118 | L18-I55 HydrophobicContact CB-CG2 4.02Å; L18-I55 HydrophobicContact CD2-CG2 3.9Å; L18-I55 HydrophobicContact CG-CG2 4.41Å; R19-I55 CarbonylContact O-C 3.6Å; R19-I55 WeakPolarHBondContact O-CA 3.13Å; V49-I55 HydrophobicContact CG2-CD1 3.41Å; V49-I55 VanDerWaalsContact CG2-CD1 3.41Å; V49-I55 HydrophobicContact CG2-CG1 4.08Å; C52-I55 HydrophobicContact CB-CG1 3.99Å; I55-I118 HydrophobicContact CB-CB 4.31Å; I55-I118 PolarHBondContact N-O 2.87Å; I55-I118 PolarHBondContact O-N 3.02Å |
| 56 | S | 95.6 | Very high | 92.3 | Very high | 39 Ų | 39 | 45 Ų | 45 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 122.5 | 168.8 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | L18 R19 | L18-S56 CarbonylContact C-O 3.51Å; L18-S56 WeakPolarHBondContact CA-O 3.4Å; R19-S56 PolarHBondContact N-O 2.95Å; R19-S56 PolarHBondContact O-N 3.07Å |
| 57 | R | 96.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.5 | 177.6 | 177.8 | -176.5 | 68.5 | -161.5 | 2.2 | 109.6 | M16 N17 L18 I59 Q74 F101 Q115 N116 I118 | M16-R57 HydrophobicContact CG-CG 4.11Å; M16-R57 HydrophobicContact SD-CG 4.08Å; N17-R57 WeakPolarHBondContact O-CA 3.37Å; L18-R57 HydrophobicContact CD2-CB 3.65Å; L18-R57 HydrophobicContact CD2-CG 3.67Å; R57-I59 HydrophobicContact CG-CD1 4.47Å; R57-I59 HydrophobicContact CG-CG1 3.99Å; R57-Q74 VanDerWaalsContact NH1-CD 3.35Å; R57-F101 VanDerWaalsContact NH2-CD2 3.34Å; R57-Q115 CarbonylContact O-C 3.58Å; R57-Q115 VanDerWaalsContact O-CA 3.3Å; R57-Q115 WeakPolarHBondContact O-CA 3.32Å; R57-N116 PolarHBondContact N-O 2.76Å; R57-N116 PolarHBondContact NH2-ND2 2.92Å; R57-N116 PolarHBondContact O-N 2.74Å; R57-I118 HydrophobicContact CB-CD1 4.26Å |
| 58 | E | 96.8 | Very high | 92.8 | Very high | 37 Ų | 37 | 47.3 Ų | 47.3 | 17% | 0.173 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127 | 169.1 | -167.8 | 173.9 | 78.7 | 0 | 0 | 109.4 | W15 M16 N17 T113 W114 Q115 | W15-E58 HydrophobicContact CH2-CG 3.8Å; W15-E58 WeakPolarHBondContact CH2-OE1 3.35Å; W15-E58 HydrophobicContact CZ3-CB 4.12Å; W15-E58 HydrophobicContact CZ3-CG 3.68Å; W15-E58 WeakPolarHBondContact CZ3-OE1 3.43Å; M16-E58 CarbonylContact C-O 3.58Å; M16-E58 VanDerWaalsContact CA-O 3.27Å; M16-E58 WeakPolarHBondContact CA-O 3.09Å; M16-E58 WeakPolarHBondContact CG-O 3.27Å; N17-E58 PolarHBondContact N-O 3.13Å; N17-E58 PolarHBondContact ND2-OE1 3.07Å; N17-E58 PolarHBondContact O-N 2.79Å; E58-T113 HydrophobicContact CG-CG2 3.34Å; E58-W114 WeakPolarHBondContact CA-O 3.2Å; E58-Q115 HydrophobicContact CB-CG 4.31Å; E58-Q115 HydrophobicContact CG-CG 3.91Å; E58-Q115 PolarHBondContact OE2-NE2 2.78Å |
| 59 | I | 95.2 | Very high | 93.2 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 9% | 0.087 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 128.6 | 176.4 | -57.9 | 171.7 | 0 | 0 | 0 | 107.3 | M16 R57 F61 L72 T113 W114 | M16-I59 HydrophobicContact CG-CG1 3.96Å; M16-I59 HydrophobicContact SD-CD1 4.31Å; M16-I59 HydrophobicContact SD-CG1 3.88Å; R57-I59 HydrophobicContact CG-CD1 4.47Å; R57-I59 HydrophobicContact CG-CG1 3.99Å; I59-F61 HydrophobicContact CG2-CD1 4.43Å; I59-L72 HydrophobicContact CD1-CD1 4.31Å; I59-T113 CarbonylContact O-C 3.57Å; I59-T113 WeakPolarHBondContact O-CA 3.35Å; I59-W114 PolarHBondContact N-O 3.27Å; I59-W114 PolarHBondContact O-N 2.83Å |
| 60 | N | 96.8 | Very high | 93.5 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 9% | 0.086 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.1 | 165.7 | -173.8 | -92.4 | 0 | 0 | 0 | 109.5 | N14 W15 T111 N112 T113 | N14-N60 HydrophobicContact CB-CB 4.46Å; N14-N60 WeakPolarHBondContact CB-OD1 3.34Å; N14-N60 PolarHBondContact N-O 3.49Å; N14-N60 PolarHBondContact ND2-OD1 2.79Å; W15-N60 HydrophobicContact CD2-CB 3.43Å; W15-N60 VanDerWaalsContact CD2-CB 3.43Å; W15-N60 HydrophobicContact CE3-CB 3.94Å; W15-N60 HydrophobicContact CG-CB 3.92Å; W15-N60 HydrophobicContact CH2-CB 3.81Å; W15-N60 HydrophobicContact CZ2-CB 3.33Å; W15-N60 HydrophobicContact CZ3-CB 4.09Å; W15-N60 PolarHBondContact N-O 3.07Å; W15-N60 VanDerWaalsContact NE1-CB 3.32Å; W15-N60 PolarHBondContact O-N 3.31Å; N60-T111 WeakPolarHBondContact OD1-CG2 3.37Å; N60-N112 CarbonylContact C-O 3.45Å; N60-N112 VanDerWaalsContact CA-O 3.25Å; N60-N112 WeakPolarHBondContact CA-O 3.43Å; N60-N112 PolarHBondContact ND2-O 3.05Å; N60-T113 PolarHBondContact ND2-OG1 2.85Å |
| 61 | F | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 152.1 | -178.2 | 68.1 | -89.7 | 0 | 0 | 0 | 110.4 | F11 N12 I59 F70 F103 V106 T111 N112 W114 | F11-F61 AromaticContact CD2-CD2 3.97Å; F11-F61 HydrophobicContact CD2-CD2 3.97Å; F11-F61 HydrophobicContact CE1-CB 4.4Å; F11-F61 HydrophobicContact CE2-CB 3.83Å; F11-F61 HydrophobicContact CE2-CD1 4.48Å; F11-F61 AromaticContact CE2-CD2 3.26Å; F11-F61 HydrophobicContact CE2-CD2 3.26Å; F11-F61 AromaticContact CE2-CE2 3.87Å; F11-F61 HydrophobicContact CE2-CE2 3.87Å; F11-F61 AromaticContact CE2-CG 3.61Å; F11-F61 HydrophobicContact CE2-CG 3.61Å; F11-F61 HydrophobicContact CZ-CB 3.65Å; F11-F61 AromaticContact CZ-CD2 3.96Å; F11-F61 HydrophobicContact CZ-CD2 3.96Å; F11-F61 AromaticContact CZ-CG 3.81Å; F11-F61 HydrophobicContact CZ-CG 3.81Å; N12-F61 CarbonylContact O-C 3.56Å; N12-F61 WeakPolarHBondContact O-CA 3.33Å; N12-F61 WeakPolarHBondContact O-CB 3.24Å; I59-F61 HydrophobicContact CG2-CD1 4.43Å; F61-F70 HydrophobicContact CD1-CE1 4.5Å; F61-F70 HydrophobicContact CE1-CD1 4.44Å; F61-F70 AromaticContact CE1-CE1 3.96Å; F61-F70 HydrophobicContact CE1-CE1 3.96Å; F61-F70 HydrophobicContact CE2-CD1 4.18Å; F61-F70 AromaticContact CE2-CE1 3.98Å; F61-F70 HydrophobicContact CE2-CE1 3.98Å; F61-F70 AromaticContact CZ-CD1 3.8Å; F61-F70 HydrophobicContact CZ-CD1 3.8Å; F61-F70 AromaticContact CZ-CE1 3.66Å; F61-F70 HydrophobicContact CZ-CE1 3.66Å; F61-F103 HydrophobicContact CE1-CD2 4.17Å; F61-F103 HydrophobicContact CE1-CE2 4.09Å; F61-F103 HydrophobicContact CE1-CZ 4.42Å; F61-F103 HydrophobicContact CZ-CD1 4.11Å; F61-F103 HydrophobicContact CZ-CD2 4.2Å; F61-F103 HydrophobicContact CZ-CE1 4Å; F61-F103 HydrophobicContact CZ-CE2 4.08Å; F61-F103 HydrophobicContact CZ-CG 4.21Å; F61-F103 AromaticContact CZ-CZ 3.98Å; F61-F103 HydrophobicContact CZ-CZ 3.98Å; F61-V106 HydrophobicContact CE2-CG1 4.18Å; F61-V106 HydrophobicContact CE2-CG2 4.14Å; F61-V106 HydrophobicContact CZ-CG2 4.27Å; F61-T111 CarbonylContact O-C 3.58Å; F61-T111 WeakPolarHBondContact O-CA 3.06Å; F61-N112 HydrophobicContact CD1-CB 4.42Å; F61-N112 HydrophobicContact CE1-CB 3.85Å; F61-N112 HydrophobicContact CE2-CB 4.18Å; F61-N112 HydrophobicContact CZ-CB 3.72Å; F61-N112 PolarHBondContact N-O 2.74Å; F61-N112 PolarHBondContact O-N 2.92Å; F61-W114 HydrophobicContact CE1-CB 4.13Å; F61-W114 HydrophobicContact CE1-CE3 4.4Å |
| 62 | S | 95.4 | Very high | 94.5 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 144.8 | 171.5 | -60.3 | 0 | 0 | 0 | 0 | 109.8 | F11 N12 N14 S110 T111 | F11-S62 WeakPolarHBondContact CA-O 2.99Å; N12-S62 PolarHBondContact N-O 3.31Å; N12-S62 VanDerWaalsContact N-O 3.07Å; N12-S62 PolarHBondContact O-N 3.11Å; N14-S62 PolarHBondContact ND2-OG 3.02Å; S62-S110 CarbonylContact C-O 3.55Å; S62-S110 VanDerWaalsContact CA-O 3.24Å; S62-S110 WeakPolarHBondContact CA-O 3.45Å; S62-T111 PolarHBondContact OG-OG1 2.96Å |
| 63 | S | 95.2 | Very high | 94.9 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 132.4 | 168.5 | -164.1 | 0 | 0 | 0 | 0 | 112.9 | C10 E65 M67 N109 S110 | C10-S63 CarbonylContact O-C 3.58Å; C10-S63 WeakPolarHBondContact O-CA 3.46Å; C10-S63 PolarHBondContact O-OG 3.09Å; S63-E65 PolarHBondContact OG-N 3Å; S63-E65 PolarHBondContact OG-O 2.87Å; S63-M67 VanDerWaalsContact OG-CE 3.25Å; S63-M67 WeakPolarHBondContact OG-CE 3.42Å; S63-N109 CarbonylContact O-C 3.58Å; S63-N109 WeakPolarHBondContact O-CA 3.27Å; S63-N109 PolarHBondContact O-N 3.16Å; S63-S110 PolarHBondContact N-O 3.19Å; S63-S110 PolarHBondContact O-N 2.77Å; S63-S110 VanDerWaalsContact O-N 3.1Å |
| 64 | A | 93.5 | Very high | 95.2 | Very high | 38 Ų | 38 | 33.5 Ų | 33.5 | 31% | 0.314 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -76.1 | -33.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C10 N109 | C10-A64 HydrophobicContact CB-CB 4.14Å; C10-A64 PolarHBondContact O-N 2.96Å; A64-N109 PolarHBondContact O-N 3.33Å; A64-N109 VanDerWaalsContact O-N 3.16Å |
| 65 | E | 92.1 | Very high | 95.3 | Very high | 88 Ų | 88 | 35 Ų | 35 | 41% | 0.411 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -95.6 | 157 | -176.9 | -63 | -62.7 | 148 | 0 | 0 | 111.3 | C10 S63 | C10-E65 HydrophobicContact CB-CB 4.46Å; C10-E65 HydrophobicContact CB-CG 3.76Å; S63-E65 PolarHBondContact OG-N 3Å; S63-E65 PolarHBondContact OG-O 2.87Å |
| 66 | Q | 94.6 | Very high | 95.1 | Very high | 88 Ų | 88 | 34.3 Ų | 34.3 | 41% | 0.411 | 17% | 0.173 | S | C | . | . | trans | -74.7 | 143.6 | 167.8 | -176.7 | 170 | -64.2 | 0 | 0 | 109.6 | E68 F105 V106 P108 | Q66-E68 PolarHBondContact NE2-OE1 2.8Å; Q66-F105 HydrophobicContact CG-CE2 3.74Å; Q66-F105 HydrophobicContact CG-CZ 3.75Å; Q66-V106 WeakPolarHBondContact CA-O 3.35Å; Q66-P108 HydrophobicContact CB-CB 4.28Å; Q66-P108 HydrophobicContact CB-CG 4.3Å | ||
| 67 | M | 95.5 | Very high | 94.8 | Very high | 8 Ų | 8 | 34.6 Ų | 34.6 | 4% | 0.039 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 133.7 | 166.7 | -63.1 | 175.7 | -108.6 | 0 | 0 | 109.4 | F11 S63 F70 F105 V106 D144 I149 | F11-M67 HydrophobicContact CD2-CE 3.92Å; S63-M67 VanDerWaalsContact OG-CE 3.25Å; S63-M67 WeakPolarHBondContact OG-CE 3.42Å; M67-F70 HydrophobicContact CB-CB 4.18Å; M67-F70 HydrophobicContact CE-CD2 4.3Å; M67-F70 HydrophobicContact CE-CG 4.45Å; M67-F70 HydrophobicContact SD-CB 3.94Å; M67-F70 HydrophobicContact SD-CD2 3.43Å; M67-F70 WeakPolarHBondContact SD-CD2 3.33Å; M67-F70 HydrophobicContact SD-CE2 4.15Å; M67-F70 HydrophobicContact SD-CG 3.82Å; M67-F105 WeakPolarHBondContact O-CA 3.42Å; M67-F105 WeakPolarHBondContact O-CD2 3.21Å; M67-V106 HydrophobicContact CB-CB 3.99Å; M67-V106 HydrophobicContact CB-CG2 4.15Å; M67-V106 HydrophobicContact CE-CB 4.11Å; M67-V106 HydrophobicContact CE-CG1 4.03Å; M67-V106 HydrophobicContact CE-CG2 4.02Å; M67-V106 PolarHBondContact N-O 2.81Å; M67-V106 VanDerWaalsContact N-O 3.13Å; M67-V106 PolarHBondContact O-N 3.39Å; M67-V106 HydrophobicContact SD-CG2 4.44Å; M67-D144 WeakPolarHBondContact CA-OD2 3.24Å; M67-D144 HydrophobicContact CB-CB 4.22Å; M67-D144 HydrophobicContact CG-CB 4.21Å; M67-I149 HydrophobicContact CG-CD1 4.5Å; M67-I149 HydrophobicContact SD-CD1 3.55Å; M67-I149 VanDerWaalsContact SD-CD1 3.55Å |
| 68 | E | 96.3 | Very high | 94.3 | Very high | 118 Ų | 118 | 34.7 Ų | 34.7 | 55% | 0.551 | 17% | 0.17 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -41.3 | -178.1 | -68.2 | -59.7 | 148.9 | 0 | 0 | 111.8 | Q66 D144 | Q66-E68 PolarHBondContact NE2-OE1 2.8Å; E68-D144 PolarHBondContact N-OD1 3.19Å; E68-D144 PolarHBondContact N-OD2 2.82Å |
| 69 | K | 96.8 | Very high | 93.6 | Very high | 93 Ų | 93 | 36.6 Ų | 36.6 | 40% | 0.404 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 75.8 | -176.9 | -167.2 | -175.9 | -174.2 | -175.1 | 0 | 110.1 | W71 E102 D144 G145 | K69-W71 VanDerWaalsContact O-CD1 3.31Å; K69-E102 WeakPolarHBondContact CE-OE1 3.37Å; K69-E102 WeakPolarHBondContact CE-OE2 3.47Å; K69-E102 IonicContact NZ-OE1 2.68Å; K69-E102 IonicContact NZ-OE2 3.68Å; K69-D144 PolarHBondContact N-OD1 2.82Å; K69-D144 WeakPolarHBondContact O-CA 3.49Å; K69-G145 PolarHBondContact O-N 3.05Å |
| 70 | F | 96.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 127.5 | 176.7 | -178.3 | -127.7 | 0 | 0 | 0 | 111.7 | F11 F61 M67 L72 F103 G104 V106 W114 F142 Y143 I149 | F11-F70 HydrophobicContact CD2-CE2 4.45Å; F11-F70 HydrophobicContact CD2-CZ 4.23Å; F11-F70 AromaticContact CE2-CE1 3.8Å; F11-F70 HydrophobicContact CE2-CE1 3.8Å; F11-F70 AromaticContact CE2-CE2 3.92Å; F11-F70 HydrophobicContact CE2-CE2 3.92Å; F11-F70 AromaticContact CE2-CZ 3.3Å; F11-F70 HydrophobicContact CE2-CZ 3.3Å; F11-F70 HydrophobicContact CZ-CE1 4.24Å; F11-F70 HydrophobicContact CZ-CE2 4.41Å; F11-F70 AromaticContact CZ-CZ 3.59Å; F11-F70 HydrophobicContact CZ-CZ 3.59Å; F61-F70 HydrophobicContact CD1-CE1 4.5Å; F61-F70 HydrophobicContact CE1-CD1 4.44Å; F61-F70 AromaticContact CE1-CE1 3.96Å; F61-F70 HydrophobicContact CE1-CE1 3.96Å; F61-F70 HydrophobicContact CE2-CD1 4.18Å; F61-F70 AromaticContact CE2-CE1 3.98Å; F61-F70 HydrophobicContact CE2-CE1 3.98Å; F61-F70 AromaticContact CZ-CD1 3.8Å; F61-F70 HydrophobicContact CZ-CD1 3.8Å; F61-F70 AromaticContact CZ-CE1 3.66Å; F61-F70 HydrophobicContact CZ-CE1 3.66Å; M67-F70 HydrophobicContact CB-CB 4.18Å; M67-F70 HydrophobicContact CE-CD2 4.3Å; M67-F70 HydrophobicContact CE-CG 4.45Å; M67-F70 HydrophobicContact SD-CB 3.94Å; M67-F70 HydrophobicContact SD-CD2 3.43Å; M67-F70 WeakPolarHBondContact SD-CD2 3.33Å; M67-F70 HydrophobicContact SD-CE2 4.15Å; M67-F70 HydrophobicContact SD-CG 3.82Å; F70-L72 HydrophobicContact CE2-CD2 4.19Å; F70-L72 HydrophobicContact CZ-CD2 3.9Å; F70-F103 HydrophobicContact CB-CB 4.35Å; F70-F103 HydrophobicContact CB-CD1 4.45Å; F70-F103 HydrophobicContact CD1-CB 3.66Å; F70-F103 HydrophobicContact CD1-CD1 4.07Å; F70-F103 AromaticContact CD1-CG 3.99Å; F70-F103 HydrophobicContact CD1-CG 3.99Å; F70-F103 HydrophobicContact CE1-CB 4.44Å; F70-F103 HydrophobicContact CG-CB 4.4Å; F70-F103 WeakPolarHBondContact O-CB 3.45Å; F70-F103 PolarHBondContact O-N 2.91Å; F70-G104 WeakPolarHBondContact CB-O 3.45Å; F70-G104 PolarHBondContact N-O 2.89Å; F70-G104 PolarHBondContact O-N 2.81Å; F70-V106 HydrophobicContact CB-CG2 3.62Å; F70-V106 HydrophobicContact CD1-CG2 4.01Å; F70-V106 HydrophobicContact CG-CG2 4.05Å; F70-W114 HydrophobicContact CD1-CZ3 4.44Å; F70-W114 HydrophobicContact CE1-CE3 4.23Å; F70-W114 AromaticContact CE1-CZ3 3.92Å; F70-W114 HydrophobicContact CE1-CZ3 3.92Å; F70-F142 HydrophobicContact CE2-CB 4.29Å; F70-F142 HydrophobicContact CE2-CD1 4.01Å; F70-F142 AromaticContact CZ-CD1 3.89Å; F70-F142 HydrophobicContact CZ-CD1 3.89Å; F70-Y143 VanDerWaalsContact CA-O 3.3Å; F70-Y143 WeakPolarHBondContact CA-O 3.42Å; F70-Y143 WeakPolarHBondContact CD2-O 3.16Å; F70-I149 HydrophobicContact CD2-CD1 4.32Å |
| 71 | W | 97.2 | Very high | 90.5 | Very high | 40 Ų | 40 | 47 Ų | 47 | 15% | 0.152 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 164 | 176.5 | 69.1 | -81 | 0 | 0 | 0 | 112.5 | K69 E73 H100 F101 E102 Y143 G145 | K69-W71 VanDerWaalsContact O-CD1 3.31Å; W71-E73 HydrophobicContact CH2-CB 4.41Å; W71-E73 HydrophobicContact CZ3-CB 3.78Å; W71-H100 AromaticContact CD2-NE2 3.89Å; W71-H100 AromaticContact CE3-CD2 3.33Å; W71-H100 AromaticContact CE3-NE2 3.39Å; W71-H100 AromaticContact CZ3-CD2 3.46Å; W71-H100 VanDerWaalsContact CZ3-CD2 3.46Å; W71-H100 WeakPolarHBondContact CZ3-CD2 3.15Å; W71-H100 AromaticContact CZ3-NE2 3.87Å; W71-F101 CarbonylContact C-O 3.5Å; W71-F101 VanDerWaalsContact CA-O 3.26Å; W71-F101 WeakPolarHBondContact CA-O 3.26Å; W71-F101 VanDerWaalsContact CB-O 3.25Å; W71-F101 WeakPolarHBondContact CB-O 3.26Å; W71-E102 HydrophobicContact CB-CB 4.31Å; W71-E102 HydrophobicContact CB-CG 4.33Å; W71-Y143 AromaticContact CD2-CD2 3.98Å; W71-Y143 HydrophobicContact CD2-CD2 3.98Å; W71-Y143 HydrophobicContact CD2-CG 4.2Å; W71-Y143 AromaticContact CE2-CD2 3.67Å; W71-Y143 AromaticContact CE2-CG 3.52Å; W71-Y143 HydrophobicContact CE3-CD2 4.03Å; W71-Y143 HydrophobicContact CH2-CD1 4.39Å; W71-Y143 AromaticContact CH2-CD2 3.47Å; W71-Y143 HydrophobicContact CH2-CD2 3.47Å; W71-Y143 VanDerWaalsContact CH2-CD2 3.47Å; W71-Y143 HydrophobicContact CH2-CE1 4.45Å; W71-Y143 AromaticContact CH2-CE2 3.51Å; W71-Y143 HydrophobicContact CH2-CE2 3.51Å; W71-Y143 AromaticContact CH2-CG 3.94Å; W71-Y143 HydrophobicContact CH2-CG 3.94Å; W71-Y143 AromaticContact CZ2-CD1 3.76Å; W71-Y143 HydrophobicContact CZ2-CD1 3.76Å; W71-Y143 AromaticContact CZ2-CD2 3.41Å; W71-Y143 HydrophobicContact CZ2-CD2 3.41Å; W71-Y143 VanDerWaalsContact CZ2-CD2 3.41Å; W71-Y143 HydrophobicContact CZ2-CE1 4.19Å; W71-Y143 AromaticContact CZ2-CE2 3.84Å; W71-Y143 HydrophobicContact CZ2-CE2 3.84Å; W71-Y143 AromaticContact CZ2-CG 3.36Å; W71-Y143 HydrophobicContact CZ2-CG 3.36Å; W71-Y143 AromaticContact CZ3-CD2 3.81Å; W71-Y143 HydrophobicContact CZ3-CD2 3.81Å; W71-Y143 AromaticContact CZ3-CE2 3.96Å; W71-Y143 HydrophobicContact CZ3-CE2 3.96Å; W71-Y143 PolarHBondContact N-O 2.8Å; W71-Y143 AromaticContact NE1-CG 3.85Å; W71-Y143 PolarHBondContact O-N 3.01Å; W71-G145 PolarHBondContact NE1-O 3.16Å |
| 72 | L | 95.6 | Very high | 88.6 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 136.4 | -178.8 | -54.3 | 176.6 | 0 | 0 | 0 | 111.4 | I59 F70 H100 F101 W114 T140 N141 F142 | I59-L72 HydrophobicContact CD1-CD1 4.31Å; F70-L72 HydrophobicContact CE2-CD2 4.19Å; F70-L72 HydrophobicContact CZ-CD2 3.9Å; L72-H100 WeakPolarHBondContact O-CA 3.49Å; L72-F101 HydrophobicContact CB-CB 4.44Å; L72-F101 PolarHBondContact N-O 3.49Å; L72-F101 PolarHBondContact O-N 3.35Å; L72-W114 HydrophobicContact CB-CH2 4.38Å; L72-W114 HydrophobicContact CD1-CE3 4.23Å; L72-W114 HydrophobicContact CD1-CH2 3.77Å; L72-W114 HydrophobicContact CD1-CZ3 3.33Å; L72-W114 HydrophobicContact CD2-CZ3 4.42Å; L72-W114 HydrophobicContact CG-CH2 3.71Å; L72-W114 HydrophobicContact CG-CZ3 3.52Å; L72-T140 HydrophobicContact CD1-CG2 4.49Å; L72-T140 HydrophobicContact CD2-CG2 4.21Å; L72-N141 WeakPolarHBondContact CA-O 3.16Å; L72-F142 HydrophobicContact CD2-CB 4.19Å; L72-F142 HydrophobicContact CD2-CD1 3.07Å; L72-F142 HydrophobicContact CD2-CE1 3.4Å; L72-F142 VanDerWaalsContact CD2-CE1 3.4Å; L72-F142 HydrophobicContact CD2-CG 3.69Å; L72-F142 HydrophobicContact CD2-CZ 4.28Å |
| 73 | E | 95.8 | Very high | 86.7 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 9% | 0.089 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.4 | 159.2 | -164.9 | -176.6 | -133.4 | 0 | 0 | 108.7 | W71 K75 R98 W99 N141 Y143 | W71-E73 HydrophobicContact CH2-CB 4.41Å; W71-E73 HydrophobicContact CZ3-CB 3.78Å; E73-K75 VanDerWaalsContact CD-CE 3.47Å; E73-K75 WeakPolarHBondContact OE2-CE 3.15Å; E73-K75 IonicContact OE2-NZ 2.96Å; E73-K75 PolarHBondContact OE2-NZ 2.96Å; E73-R98 HydrophobicContact CG-CG 3.99Å; E73-R98 WeakPolarHBondContact OE1-CD 3.38Å; E73-R98 IonicContact OE1-CZ 3.68Å; E73-R98 IonicContact OE1-NE 3.82Å; E73-R98 IonicContact OE1-NH1 3.71Å; E73-R98 PolarHBondContact OE1-NH1 2.91Å; E73-W99 WeakPolarHBondContact CA-O 3.33Å; E73-N141 HydrophobicContact CB-CB 4.24Å; E73-N141 PolarHBondContact N-O 2.89Å; E73-N141 PolarHBondContact O-N 3.3Å; E73-Y143 HydrophobicContact CB-CE2 3.96Å |
| 74 | Q | 93.9 | Very high | 84.7 | Confident | 16 Ų | 16 | 60 Ų | 60 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132.8 | 172.7 | -71.7 | -171.3 | -57.4 | 0 | 0 | 111.4 | R57 R98 W99 F101 I138 E139 T140 | R57-Q74 VanDerWaalsContact NH1-CD 3.35Å; Q74-R98 CarbonylContact O-C 3.59Å; Q74-R98 WeakPolarHBondContact O-CA 3.36Å; Q74-W99 HydrophobicContact CB-CB 4.39Å; Q74-W99 HydrophobicContact CB-CE3 4.13Å; Q74-W99 PolarHBondContact N-O 3.1Å; Q74-W99 PolarHBondContact O-N 2.58Å; Q74-F101 VanDerWaalsContact OE1-CE2 3.28Å; Q74-I138 HydrophobicContact CB-CG2 4.36Å; Q74-I138 HydrophobicContact CG-CG2 4.46Å; Q74-E139 CarbonylContact C-O 3.58Å; Q74-E139 WeakPolarHBondContact CA-O 3.11Å; Q74-T140 HydrophobicContact CG-CG2 3.77Å; Q74-T140 PolarHBondContact NE2-OG1 2.78Å |
| 75 | K | 92.5 | Very high | 82.9 | Confident | 48 Ų | 48 | 67 Ų | 67 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 122.7 | -178.9 | -66.9 | -172.4 | -179.1 | 141.7 | 0 | 108.9 | E73 F77 Y95 I138 E139 | E73-K75 VanDerWaalsContact CD-CE 3.47Å; E73-K75 WeakPolarHBondContact OE2-CE 3.15Å; E73-K75 IonicContact OE2-NZ 2.96Å; E73-K75 PolarHBondContact OE2-NZ 2.96Å; K75-F77 HydrophobicContact CB-CD2 4.26Å; K75-F77 HydrophobicContact CB-CE2 3.53Å; K75-F77 HydrophobicContact CB-CZ 3.96Å; K75-F77 HydrophobicContact CD-CE2 4.41Å; K75-F77 HydrophobicContact CD-CZ 4.14Å; K75-Y95 HydrophobicContact CB-CD2 4.19Å; K75-Y95 HydrophobicContact CB-CE2 3.56Å; K75-Y95 HydrophobicContact CD-CE2 3.91Å; K75-Y95 HydrophobicContact CG-CD2 4.49Å; K75-Y95 HydrophobicContact CG-CE2 3.57Å; K75-I138 WeakPolarHBondContact O-CA 3.47Å; K75-E139 HydrophobicContact CB-CB 4.28Å; K75-E139 PolarHBondContact N-O 2.92Å; K75-E139 PolarHBondContact O-N 3.24Å |
| 76 | V | 89.8 | Confident | 81.7 | Confident | 16 Ų | 16 | 69.7 Ų | 69.7 | 10% | 0.097 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 119.4 | 175.7 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | R96 I97 W99 V136 I138 | V76-R96 PolarHBondContact O-N 2.84Å; V76-I97 HydrophobicContact CB-CG2 3.58Å; V76-I97 HydrophobicContact CG1-CG2 4.46Å; V76-I97 HydrophobicContact CG2-CG2 3.47Å; V76-I97 VanDerWaalsContact CG2-CG2 3.47Å; V76-I97 PolarHBondContact N-O 3.21Å; V76-W99 HydrophobicContact CG2-CE3 4.16Å; V76-W99 HydrophobicContact CG2-CH2 3.7Å; V76-W99 HydrophobicContact CG2-CZ2 4.5Å; V76-W99 HydrophobicContact CG2-CZ3 3.49Å; V76-W99 VanDerWaalsContact CG2-CZ3 3.49Å; V76-V136 HydrophobicContact CG1-CG1 3.72Å; V76-I138 HydrophobicContact CG2-CG1 4.29Å |
| 77 | F | 89.6 | Confident | 80.6 | Confident | 44 Ų | 44 | 72.3 Ų | 72.3 | 19% | 0.193 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.6 | 174.7 | -63.5 | -83.6 | 0 | 0 | 0 | 109.4 | K75 F93 I94 Y95 V136 V137 E139 | K75-F77 HydrophobicContact CB-CD2 4.26Å; K75-F77 HydrophobicContact CB-CE2 3.53Å; K75-F77 HydrophobicContact CB-CZ 3.96Å; K75-F77 HydrophobicContact CD-CE2 4.41Å; K75-F77 HydrophobicContact CD-CZ 4.14Å; F77-F93 HydrophobicContact CB-CB 4.15Å; F77-F93 HydrophobicContact CB-CD1 3.8Å; F77-F93 HydrophobicContact CB-CG 4.36Å; F77-F93 HydrophobicContact CD1-CB 4.19Å; F77-I94 WeakPolarHBondContact CA-O 3.39Å; F77-Y95 HydrophobicContact CD1-CD2 4.35Å; F77-Y95 AromaticContact CE1-CD2 3.9Å; F77-Y95 HydrophobicContact CE1-CD2 3.9Å; F77-Y95 HydrophobicContact CZ-CD2 4.14Å; F77-V136 CarbonylContact O-C 3.59Å; F77-V136 WeakPolarHBondContact O-CA 3.43Å; F77-V137 PolarHBondContact N-O 2.84Å; F77-V137 PolarHBondContact O-N 3.35Å; F77-E139 HydrophobicContact CD2-CB 4.22Å; F77-E139 HydrophobicContact CE2-CB 3.73Å |
| 78 | V | 85.3 | Confident | 78.9 | Confident | 7 Ų | 7 | 76.9 Ų | 76.9 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123 | 171.3 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | E80 I94 R96 L127 L132 V136 | V78-E80 PolarHBondContact O-N 2.67Å; V78-I94 PolarHBondContact N-O 2.84Å; V78-I94 PolarHBondContact O-N 2.98Å; V78-R96 HydrophobicContact CB-CG 4.06Å; V78-R96 HydrophobicContact CG2-CB 4.45Å; V78-R96 HydrophobicContact CG2-CG 3.51Å; V78-L127 HydrophobicContact CG1-CD1 3.98Å; V78-L132 HydrophobicContact CG1-CD2 4.23Å; V78-L132 HydrophobicContact CG2-CD2 4.34Å; V78-V136 HydrophobicContact CG2-CG2 4.27Å |
| 79 | K | 81.7 | Confident | 77.3 | Confident | 77 Ų | 77 | 77.4 Ų | 77.4 | 34% | 0.335 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 116.7 | 171 | 179 | 170.7 | 170.4 | 179.5 | 0 | 108.6 | V91 F93 N135 | K79-V91 HydrophobicContact CD-CG1 3.5Å; K79-V91 HydrophobicContact CG-CG1 3.52Å; K79-F93 HydrophobicContact CB-CD1 4.06Å; K79-F93 HydrophobicContact CB-CE1 3.7Å; K79-F93 HydrophobicContact CB-CZ 4.12Å; K79-F93 HydrophobicContact CD-CZ 4.45Å; K79-F93 HydrophobicContact CG-CZ 4.5Å; K79-N135 HydrophobicContact CB-CB 3.98Å; K79-N135 WeakPolarHBondContact CB-O 3.45Å; K79-N135 PolarHBondContact N-O 3.39Å |
| 80 | E | 70.4 | Confident | 75.7 | Confident | 78 Ų | 78 | 78 Ų | 78 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 167.9 | 171.8 | -111.1 | 178.7 | -134.1 | 0 | 0 | 110.4 | V78 C92 I94 R96 | V78-E80 PolarHBondContact O-N 2.67Å; E80-C92 PolarHBondContact N-O 2.88Å; E80-I94 HydrophobicContact CB-CD1 4.03Å; E80-I94 HydrophobicContact CB-CG1 4.16Å; E80-I94 VanDerWaalsContact CD-CD1 3.5Å; E80-I94 HydrophobicContact CG-CD1 4.35Å; E80-I94 WeakPolarHBondContact OE2-CD1 3.45Å; E80-R96 IonicContact OE1-CZ 3.07Å; E80-R96 IonicContact OE1-NH2 2.79Å; E80-R96 PolarHBondContact OE1-NH2 2.78Å |
| 81 | Q | 56.9 | Low | 74.1 | Confident | 172 Ų | 172 | 81 Ų | 81 | 80% | 0.804 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -37.5 | 146.5 | -160.6 | -79.4 | -175.7 | -23.1 | 0 | 0 | 116.2 | I83 | Q81-I83 PolarHBondContact O-N 2.87Å; Q81-I83 VanDerWaalsContact O-N 3.16Å |
| 82 | I | 56.4 | Low | 72.7 | Confident | 97 Ų | 97 | 81.7 Ų | 81.7 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 116.5 | 172.8 | -51.4 | 170.2 | 0 | 0 | 0 | 108.3 | E84 F89 L90 | I82-E84 PolarHBondContact O-N 2.8Å; I82-F89 HydrophobicContact CB-CD1 4.42Å; I82-F89 HydrophobicContact CG2-CB 3.46Å; I82-F89 VanDerWaalsContact CG2-CB 3.46Å; I82-F89 HydrophobicContact CG2-CD1 3.42Å; I82-F89 VanDerWaalsContact CG2-CD1 3.42Å; I82-F89 HydrophobicContact CG2-CG 3.88Å; I82-L90 CarbonylContact C-O 3.52Å; I82-L90 WeakPolarHBondContact CA-O 3.3Å |
| 83 | I | 55.5 | Low | 71.5 | Confident | 89 Ų | 89 | 85.3 Ų | 85.3 | 46% | 0.456 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 108.1 | 171.4 | -57.8 | 172.1 | 0 | 0 | 0 | 105.9 | Q81 L90 C92 | Q81-I83 PolarHBondContact O-N 2.87Å; Q81-I83 VanDerWaalsContact O-N 3.16Å; I83-L90 HydrophobicContact CB-CB 4.45Å; I83-L90 PolarHBondContact N-O 2.88Å; I83-L90 PolarHBondContact O-N 3.24Å; I83-C92 HydrophobicContact CD1-CB 4.22Å |
| 84 | E | 51.8 | Low | 70.5 | Confident | 121 Ų | 121 | 87.5 Ų | 87.5 | 57% | 0.565 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 119.8 | 170.3 | -171 | 178.9 | 173.6 | 0 | 0 | 108.8 | I82 I88 F89 | I82-E84 PolarHBondContact O-N 2.8Å; E84-I88 WeakPolarHBondContact CA-O 3.38Å; E84-F89 HydrophobicContact CB-CD1 4.23Å; E84-F89 HydrophobicContact CB-CE1 4.12Å; E84-F89 HydrophobicContact CG-CD1 4.27Å; E84-F89 HydrophobicContact CG-CE1 3.9Å; E84-F89 HydrophobicContact CG-CZ 4.27Å |
| 85 | R | 57.5 | Low | 69.6 | Low | 185 Ų | 185 | 91.5 Ų | 91.5 | 70% | 0.698 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 113.5 | 173.3 | -149.5 | -179.5 | -168.4 | -139.3 | 2.6 | 109.1 | D87 I88 | R85-D87 PolarHBondContact O-N 2.81Å; R85-I88 PolarHBondContact N-O 2.95Å; R85-I88 WeakPolarHBondContact O-CB 3.44Å; R85-I88 PolarHBondContact O-N 2.86Å |
| 86 | N | 65.9 | Low | 68.9 | Low | 144 Ų | 144 | 94.1 Ų | 94.1 | 77% | 0.77 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 57.2 | 179.9 | -56.8 | -27 | 0 | 0 | 0 | 112.8 | I88 | N86-I88 PolarHBondContact O-N 2.74Š|
| 87 | D | 70.7 | Confident | 68.6 | Low | 143 Ų | 143 | 95.5 Ų | 95.5 | 77% | 0.765 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 7 | -177.7 | -53.1 | -57.7 | 0 | 0 | 0 | 115.7 | R85 | R85-D87 PolarHBondContact O-N 2.81Š|
| 88 | I | 61.3 | Low | 68.6 | Low | 105 Ų | 105 | 100.5 Ų | 100.5 | 54% | 0.538 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.5 | 173.1 | -57.9 | 172.5 | 0 | 0 | 0 | 109 | E84 R85 N86 L90 | E84-I88 WeakPolarHBondContact CA-O 3.38Å; R85-I88 PolarHBondContact N-O 2.95Å; R85-I88 WeakPolarHBondContact O-CB 3.44Å; R85-I88 PolarHBondContact O-N 2.86Å; N86-I88 PolarHBondContact O-N 2.74Å; I88-L90 HydrophobicContact CG2-CD2 4.45Å; I88-L90 HydrophobicContact CG2-CG 4.12Å |
| 89 | F | 63.2 | Low | 68.9 | Low | 129 Ų | 129 | 102.7 Ų | 102.7 | 57% | 0.566 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 101.2 | 173.8 | -71.1 | -74.2 | 0 | 0 | 0 | 109.8 | I82 E84 | I82-F89 HydrophobicContact CB-CD1 4.42Å; I82-F89 HydrophobicContact CG2-CB 3.46Å; I82-F89 VanDerWaalsContact CG2-CB 3.46Å; I82-F89 HydrophobicContact CG2-CD1 3.42Å; I82-F89 VanDerWaalsContact CG2-CD1 3.42Å; I82-F89 HydrophobicContact CG2-CG 3.88Å; E84-F89 HydrophobicContact CB-CD1 4.23Å; E84-F89 HydrophobicContact CB-CE1 4.12Å; E84-F89 HydrophobicContact CG-CD1 4.27Å; E84-F89 HydrophobicContact CG-CE1 3.9Å; E84-F89 HydrophobicContact CG-CZ 4.27Å |
| 90 | L | 62 | Low | 69.5 | Low | 104 Ų | 104 | 104.1 Ų | 104.1 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 123.8 | 174.6 | -76.5 | 171.3 | 0 | 0 | 0 | 110.7 | I82 I83 I88 | I82-L90 CarbonylContact C-O 3.52Å; I82-L90 WeakPolarHBondContact CA-O 3.3Å; I83-L90 HydrophobicContact CB-CB 4.45Å; I83-L90 PolarHBondContact N-O 2.88Å; I83-L90 PolarHBondContact O-N 3.24Å; I88-L90 HydrophobicContact CG2-CD2 4.45Å; I88-L90 HydrophobicContact CG2-CG 4.12Å |
| 91 | V | 63.4 | Low | 70.7 | Confident | 64 Ų | 64 | 101.3 Ų | 101.3 | 39% | 0.388 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 116 | 170.1 | 174.3 | 0 | 0 | 0 | 0 | 108.8 | K79 F93 | K79-V91 HydrophobicContact CD-CG1 3.5Å; K79-V91 HydrophobicContact CG-CG1 3.52Å; V91-F93 HydrophobicContact CG1-CD2 4.26Å; V91-F93 HydrophobicContact CG1-CE2 3.82Å; V91-F93 HydrophobicContact CG1-CZ 4.4Å |
| 92 | C | 67.9 | Low | 72.6 | Confident | 55 Ų | 55 | 97.8 Ų | 97.8 | 37% | 0.372 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 136.2 | 175.9 | -164.6 | 0 | 0 | 0 | 0 | 110.5 | E80 I83 | E80-C92 PolarHBondContact N-O 2.88Å; I83-C92 HydrophobicContact CD1-CB 4.22Å |
| 93 | F | 69.4 | Low | 74.5 | Confident | 79 Ų | 79 | 96 Ų | 96 | 35% | 0.346 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.1 | 169.7 | -78.1 | -89.8 | 0 | 0 | 0 | 108.6 | F77 K79 V91 V137 | F77-F93 HydrophobicContact CB-CB 4.15Å; F77-F93 HydrophobicContact CB-CD1 3.8Å; F77-F93 HydrophobicContact CB-CG 4.36Å; F77-F93 HydrophobicContact CD1-CB 4.19Å; K79-F93 HydrophobicContact CB-CD1 4.06Å; K79-F93 HydrophobicContact CB-CE1 3.7Å; K79-F93 HydrophobicContact CB-CZ 4.12Å; K79-F93 HydrophobicContact CD-CZ 4.45Å; K79-F93 HydrophobicContact CG-CZ 4.5Å; V91-F93 HydrophobicContact CG1-CD2 4.26Å; V91-F93 HydrophobicContact CG1-CE2 3.82Å; V91-F93 HydrophobicContact CG1-CZ 4.4Å; F93-V137 HydrophobicContact CE1-CG2 3.99Å |
| 94 | I | 75.2 | Confident | 76.5 | Confident | 64 Ų | 64 | 92.5 Ų | 92.5 | 33% | 0.328 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 124.8 | 173.1 | -60.8 | -170.2 | 0 | 0 | 0 | 108.4 | F77 V78 E80 R96 | F77-I94 WeakPolarHBondContact CA-O 3.39Å; V78-I94 PolarHBondContact N-O 2.84Å; V78-I94 PolarHBondContact O-N 2.98Å; E80-I94 HydrophobicContact CB-CD1 4.03Å; E80-I94 HydrophobicContact CB-CG1 4.16Å; E80-I94 VanDerWaalsContact CD-CD1 3.5Å; E80-I94 HydrophobicContact CG-CD1 4.35Å; E80-I94 WeakPolarHBondContact OE2-CD1 3.45Å; I94-R96 PolarHBondContact O-N 2.89Å |
| 95 | Y | 74.6 | Confident | 78.6 | Confident | 100 Ų | 100 | 91.4 Ų | 91.4 | 39% | 0.392 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 115.7 | 168.9 | -179 | -113.6 | 0 | 0 | 0 | 109.6 | K75 F77 I97 R98 | K75-Y95 HydrophobicContact CB-CD2 4.19Å; K75-Y95 HydrophobicContact CB-CE2 3.56Å; K75-Y95 HydrophobicContact CD-CE2 3.91Å; K75-Y95 HydrophobicContact CG-CD2 4.49Å; K75-Y95 HydrophobicContact CG-CE2 3.57Å; F77-Y95 HydrophobicContact CD1-CD2 4.35Å; F77-Y95 AromaticContact CE1-CD2 3.9Å; F77-Y95 HydrophobicContact CE1-CD2 3.9Å; F77-Y95 HydrophobicContact CZ-CD2 4.14Å; Y95-I97 WeakPolarHBondContact CE2-O 3.37Å; Y95-R98 WeakPolarHBondContact OH-CA 3.25Å; Y95-R98 WeakPolarHBondContact OH-CB 3.35Å; Y95-R98 VanDerWaalsContact OH-CD 3.29Å; Y95-R98 WeakPolarHBondContact OH-CD 3.18Å; Y95-R98 WeakPolarHBondContact OH-CG 3.37Å |
| 96 | R | 78.4 | Confident | 80.5 | Confident | 104 Ų | 104 | 82.6 Ų | 82.6 | 39% | 0.392 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -47.6 | -176 | -71.2 | -60.2 | -170.2 | 118.8 | -9.8 | 112.9 | V76 V78 E80 I94 | V76-R96 PolarHBondContact O-N 2.84Å; V78-R96 HydrophobicContact CB-CG 4.06Å; V78-R96 HydrophobicContact CG2-CB 4.45Å; V78-R96 HydrophobicContact CG2-CG 3.51Å; E80-R96 IonicContact OE1-CZ 3.07Å; E80-R96 IonicContact OE1-NH2 2.79Å; E80-R96 PolarHBondContact OE1-NH2 2.78Å; I94-R96 PolarHBondContact O-N 2.89Å |
| 97 | I | 84.1 | Confident | 81.9 | Confident | 44 Ų | 44 | 80.6 Ų | 80.6 | 23% | 0.226 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 152.2 | -172.9 | -169.3 | 162.3 | 0 | 0 | 0 | 112 | V76 Y95 W99 A121 | V76-I97 HydrophobicContact CB-CG2 3.58Å; V76-I97 HydrophobicContact CG1-CG2 4.46Å; V76-I97 HydrophobicContact CG2-CG2 3.47Å; V76-I97 VanDerWaalsContact CG2-CG2 3.47Å; V76-I97 PolarHBondContact N-O 3.21Å; Y95-I97 WeakPolarHBondContact CE2-O 3.37Å; I97-W99 HydrophobicContact CD1-CZ2 4.25Å; I97-W99 HydrophobicContact CG2-CH2 4.35Å; I97-W99 HydrophobicContact CG2-CZ2 4.01Å; I97-A121 HydrophobicContact CD1-CB 3.93Å |
| 98 | R | 89.9 | Confident | 83.1 | Confident | 150 Ų | 150 | 76.2 Ų | 76.2 | 57% | 0.566 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 139.1 | 169.8 | -154.4 | 160.8 | 47.6 | 165.1 | -1.4 | 111 | E73 Q74 Y95 | E73-R98 HydrophobicContact CG-CG 3.99Å; E73-R98 WeakPolarHBondContact OE1-CD 3.38Å; E73-R98 IonicContact OE1-CZ 3.68Å; E73-R98 IonicContact OE1-NE 3.82Å; E73-R98 IonicContact OE1-NH1 3.71Å; E73-R98 PolarHBondContact OE1-NH1 2.91Å; Q74-R98 CarbonylContact O-C 3.59Å; Q74-R98 WeakPolarHBondContact O-CA 3.36Å; Y95-R98 WeakPolarHBondContact OH-CA 3.25Å; Y95-R98 WeakPolarHBondContact OH-CB 3.35Å; Y95-R98 VanDerWaalsContact OH-CD 3.29Å; Y95-R98 WeakPolarHBondContact OH-CD 3.18Å; Y95-R98 WeakPolarHBondContact OH-CG 3.37Å |
| 99 | W | 90.8 | Very high | 84.6 | Confident | 53 Ų | 53 | 77.9 Ų | 77.9 | 20% | 0.201 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 148.2 | 160.7 | -57.7 | -56 | 0 | 0 | 0 | 111.1 | E73 Q74 V76 I97 F101 I118 | E73-W99 WeakPolarHBondContact CA-O 3.33Å; Q74-W99 HydrophobicContact CB-CB 4.39Å; Q74-W99 HydrophobicContact CB-CE3 4.13Å; Q74-W99 PolarHBondContact N-O 3.1Å; Q74-W99 PolarHBondContact O-N 2.58Å; V76-W99 HydrophobicContact CG2-CE3 4.16Å; V76-W99 HydrophobicContact CG2-CH2 3.7Å; V76-W99 HydrophobicContact CG2-CZ2 4.5Å; V76-W99 HydrophobicContact CG2-CZ3 3.49Å; V76-W99 VanDerWaalsContact CG2-CZ3 3.49Å; I97-W99 HydrophobicContact CD1-CZ2 4.25Å; I97-W99 HydrophobicContact CG2-CH2 4.35Å; I97-W99 HydrophobicContact CG2-CZ2 4.01Å; W99-F101 HydrophobicContact CB-CD2 4.21Å; W99-F101 HydrophobicContact CB-CE2 3.31Å; W99-F101 HydrophobicContact CB-CZ 3.53Å; W99-F101 HydrophobicContact CG-CE2 4.17Å; W99-F101 HydrophobicContact CG-CZ 4.02Å; W99-I118 HydrophobicContact CD2-CG2 4.01Å; W99-I118 HydrophobicContact CE3-CG2 4.16Å; W99-I118 HydrophobicContact CH2-CG2 3.56Å; W99-I118 HydrophobicContact CZ2-CG2 3.36Å; W99-I118 HydrophobicContact CZ3-CG2 3.96Å |
| 100 | H | 94.5 | Very high | 86.2 | Confident | 107 Ų | 107 | 72.5 Ų | 72.5 | 50% | 0.495 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.4 | 176.2 | 172.3 | -78.9 | 0 | 0 | 0 | 108.1 | W71 L72 | W71-H100 AromaticContact CD2-NE2 3.89Å; W71-H100 AromaticContact CE3-CD2 3.33Å; W71-H100 AromaticContact CE3-NE2 3.39Å; W71-H100 AromaticContact CZ3-CD2 3.46Å; W71-H100 VanDerWaalsContact CZ3-CD2 3.46Å; W71-H100 WeakPolarHBondContact CZ3-CD2 3.15Å; W71-H100 AromaticContact CZ3-NE2 3.87Å; L72-H100 WeakPolarHBondContact O-CA 3.49Å |
| 101 | F | 95.1 | Very high | 87.9 | Confident | 19 Ų | 19 | 71.6 Ų | 71.6 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 128.8 | 179.8 | -55.1 | -79.9 | 0 | 0 | 0 | 109.4 | R57 W71 L72 Q74 W99 W114 N116 I118 | R57-F101 VanDerWaalsContact NH2-CD2 3.34Å; W71-F101 CarbonylContact C-O 3.5Å; W71-F101 VanDerWaalsContact CA-O 3.26Å; W71-F101 WeakPolarHBondContact CA-O 3.26Å; W71-F101 VanDerWaalsContact CB-O 3.25Å; W71-F101 WeakPolarHBondContact CB-O 3.26Å; L72-F101 HydrophobicContact CB-CB 4.44Å; L72-F101 PolarHBondContact N-O 3.49Å; L72-F101 PolarHBondContact O-N 3.35Å; Q74-F101 VanDerWaalsContact OE1-CE2 3.28Å; W99-F101 HydrophobicContact CB-CD2 4.21Å; W99-F101 HydrophobicContact CB-CE2 3.31Å; W99-F101 HydrophobicContact CB-CZ 3.53Å; W99-F101 HydrophobicContact CG-CE2 4.17Å; W99-F101 HydrophobicContact CG-CZ 4.02Å; F101-W114 HydrophobicContact CB-CH2 3.55Å; F101-W114 HydrophobicContact CB-CZ2 3.43Å; F101-W114 VanDerWaalsContact CB-CZ2 3.43Å; F101-W114 WeakPolarHBondContact O-CH2 3.33Å; F101-N116 HydrophobicContact CD1-CB 3.84Å; F101-N116 WeakPolarHBondContact CD1-OD1 3.44Å; F101-N116 HydrophobicContact CE1-CB 3.97Å; F101-I118 HydrophobicContact CZ-CG1 4.03Å |
| 102 | E | 96.9 | Very high | 89.4 | Confident | 98 Ų | 98 | 70.2 Ų | 70.2 | 46% | 0.458 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.2 | 178.3 | -172.2 | 170.1 | 160.2 | 0 | 0 | 110.2 | K69 W71 W114 | K69-E102 WeakPolarHBondContact CE-OE1 3.37Å; K69-E102 WeakPolarHBondContact CE-OE2 3.47Å; K69-E102 IonicContact NZ-OE1 2.68Å; K69-E102 IonicContact NZ-OE2 3.68Å; W71-E102 HydrophobicContact CB-CB 4.31Å; W71-E102 HydrophobicContact CB-CG 4.33Å; E102-W114 VanDerWaalsContact C-CZ2 3.4Å; E102-W114 WeakPolarHBondContact O-CZ2 3.48Å |
| 103 | F | 96.4 | Very high | 90.8 | Very high | 59 Ų | 59 | 71 Ų | 71 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -46.2 | 172.1 | -178.5 | -94.3 | 0 | 0 | 0 | 110.5 | F61 F70 F105 V106 N112 W114 | F61-F103 HydrophobicContact CE1-CD2 4.17Å; F61-F103 HydrophobicContact CE1-CE2 4.09Å; F61-F103 HydrophobicContact CE1-CZ 4.42Å; F61-F103 HydrophobicContact CZ-CD1 4.11Å; F61-F103 HydrophobicContact CZ-CD2 4.2Å; F61-F103 HydrophobicContact CZ-CE1 4Å; F61-F103 HydrophobicContact CZ-CE2 4.08Å; F61-F103 HydrophobicContact CZ-CG 4.21Å; F61-F103 AromaticContact CZ-CZ 3.98Å; F61-F103 HydrophobicContact CZ-CZ 3.98Å; F70-F103 HydrophobicContact CB-CB 4.35Å; F70-F103 HydrophobicContact CB-CD1 4.45Å; F70-F103 HydrophobicContact CD1-CB 3.66Å; F70-F103 HydrophobicContact CD1-CD1 4.07Å; F70-F103 AromaticContact CD1-CG 3.99Å; F70-F103 HydrophobicContact CD1-CG 3.99Å; F70-F103 HydrophobicContact CE1-CB 4.44Å; F70-F103 HydrophobicContact CG-CB 4.4Å; F70-F103 WeakPolarHBondContact O-CB 3.45Å; F70-F103 PolarHBondContact O-N 2.91Å; F103-F105 WeakPolarHBondContact CE1-O 3.41Å; F103-V106 HydrophobicContact CD1-CG2 3.66Å; F103-V106 HydrophobicContact CE1-CG2 3.74Å; F103-N112 HydrophobicContact CE2-CB 4.1Å; F103-N112 HydrophobicContact CZ-CB 3.66Å; F103-W114 HydrophobicContact CB-CD2 4.04Å; F103-W114 HydrophobicContact CB-CE3 4.11Å; F103-W114 HydrophobicContact CB-CH2 4.04Å; F103-W114 HydrophobicContact CB-CZ2 3.99Å; F103-W114 HydrophobicContact CB-CZ3 4.08Å; F103-W114 HydrophobicContact CD2-CB 3.77Å; F103-W114 AromaticContact CD2-CD1 3.86Å; F103-W114 AromaticContact CD2-CD2 3.74Å; F103-W114 HydrophobicContact CD2-CD2 3.74Å; F103-W114 HydrophobicContact CD2-CE3 4.22Å; F103-W114 AromaticContact CD2-CG 3.54Å; F103-W114 HydrophobicContact CD2-CG 3.54Å; F103-W114 HydrophobicContact CE2-CB 3.95Å; F103-W114 HydrophobicContact CE2-CG 4.18Å; F103-W114 HydrophobicContact CG-CD2 4.35Å |
| 104 | G | 96.7 | Very high | 92.1 | Very high | 15 Ų | 15 | 68.1 Ų | 68.1 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 98.2 | -141.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F70 | F70-G104 WeakPolarHBondContact CB-O 3.45Å; F70-G104 PolarHBondContact N-O 2.89Å; F70-G104 PolarHBondContact O-N 2.81Å |
| 105 | F | 96.8 | Very high | 93 | Very high | 99 Ų | 99 | 71.3 Ų | 71.3 | 43% | 0.434 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 132.9 | -173.2 | -174.9 | -95.8 | 0 | 0 | 0 | 112.4 | Q66 M67 F103 I107 | Q66-F105 HydrophobicContact CG-CE2 3.74Å; Q66-F105 HydrophobicContact CG-CZ 3.75Å; M67-F105 WeakPolarHBondContact O-CA 3.42Å; M67-F105 WeakPolarHBondContact O-CD2 3.21Å; F103-F105 WeakPolarHBondContact CE1-O 3.41Å; F105-I107 HydrophobicContact CD1-CG1 4.18Å; F105-I107 HydrophobicContact CE1-CG1 3.78Å |
| 106 | V | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.7 | 174.5 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | F61 Q66 M67 F70 F103 | F61-V106 HydrophobicContact CE2-CG1 4.18Å; F61-V106 HydrophobicContact CE2-CG2 4.14Å; F61-V106 HydrophobicContact CZ-CG2 4.27Å; Q66-V106 WeakPolarHBondContact CA-O 3.35Å; M67-V106 HydrophobicContact CB-CB 3.99Å; M67-V106 HydrophobicContact CB-CG2 4.15Å; M67-V106 HydrophobicContact CE-CB 4.11Å; M67-V106 HydrophobicContact CE-CG1 4.03Å; M67-V106 HydrophobicContact CE-CG2 4.02Å; M67-V106 PolarHBondContact N-O 2.81Å; M67-V106 VanDerWaalsContact N-O 3.13Å; M67-V106 PolarHBondContact O-N 3.39Å; M67-V106 HydrophobicContact SD-CG2 4.44Å; F70-V106 HydrophobicContact CB-CG2 3.62Å; F70-V106 HydrophobicContact CD1-CG2 4.01Å; F70-V106 HydrophobicContact CG-CG2 4.05Å; F103-V106 HydrophobicContact CD1-CG2 3.66Å; F103-V106 HydrophobicContact CE1-CG2 3.74Å |
| 107 | I | 96.1 | Very high | 94.5 | Very high | 101 Ų | 101 | 65.2 Ų | 65.2 | 52% | 0.518 | 33% | 0.333 | S | S | . | . | trans | -68.3 | 138.1 | 175.8 | -63.7 | 166.7 | 0 | 0 | 0 | 109 | F105 S110 | F105-I107 HydrophobicContact CD1-CG1 4.18Å; F105-I107 HydrophobicContact CE1-CG1 3.78Å; I107-S110 WeakPolarHBondContact O-CB 3.03Å; I107-S110 PolarHBondContact O-N 2.89Å; I107-S110 PolarHBondContact O-OG 3.43Å | ||
| 108 | P | 94.6 | Very high | 94.8 | Very high | 52 Ų | 52 | 64 Ų | 64 | 34% | 0.338 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 143.4 | 174.7 | 25.7 | -34 | 0 | 0 | 0 | 111.5 | Q66 S110 | Q66-P108 HydrophobicContact CB-CB 4.28Å; Q66-P108 HydrophobicContact CB-CG 4.3Å; P108-S110 PolarHBondContact O-N 2.86Å |
| 109 | N | 94.4 | Very high | 94.6 | Very high | 139 Ų | 139 | 62.9 Ų | 62.9 | 74% | 0.743 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 32.7 | -174.6 | -56.6 | -71.8 | 0 | 0 | 0 | 114.1 | S63 A64 | S63-N109 CarbonylContact O-C 3.58Å; S63-N109 WeakPolarHBondContact O-CA 3.27Å; S63-N109 PolarHBondContact O-N 3.16Å; A64-N109 PolarHBondContact O-N 3.33Å; A64-N109 VanDerWaalsContact O-N 3.16Å |
| 110 | S | 96.3 | Very high | 93.7 | Very high | 17 Ų | 17 | 63.1 Ų | 63.1 | 12% | 0.119 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 160.3 | 178.4 | 69.5 | 0 | 0 | 0 | 0 | 112.5 | S62 S63 I107 P108 N112 | S62-S110 CarbonylContact C-O 3.55Å; S62-S110 VanDerWaalsContact CA-O 3.24Å; S62-S110 WeakPolarHBondContact CA-O 3.45Å; S63-S110 PolarHBondContact N-O 3.19Å; S63-S110 PolarHBondContact O-N 2.77Å; S63-S110 VanDerWaalsContact O-N 3.1Å; I107-S110 WeakPolarHBondContact O-CB 3.03Å; I107-S110 PolarHBondContact O-N 2.89Å; I107-S110 PolarHBondContact O-OG 3.43Å; P108-S110 PolarHBondContact O-N 2.86Å; S110-N112 PolarHBondContact OG-ND2 2.82Å |
| 111 | T | 96.5 | Very high | 92.3 | Very high | 85 Ų | 85 | 60.2 Ų | 60.2 | 52% | 0.521 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 126.6 | 166.9 | -61 | 0 | 0 | 0 | 0 | 107.9 | N60 F61 S62 | N60-T111 WeakPolarHBondContact OD1-CG2 3.37Å; F61-T111 CarbonylContact O-C 3.58Å; F61-T111 WeakPolarHBondContact O-CA 3.06Å; S62-T111 PolarHBondContact OG-OG1 2.96Å |
| 112 | N | 96.5 | Very high | 90.5 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 147.4 | -172.4 | -58.8 | -80 | 0 | 0 | 0 | 110.2 | N60 F61 F103 S110 | N60-N112 CarbonylContact C-O 3.45Å; N60-N112 VanDerWaalsContact CA-O 3.25Å; N60-N112 WeakPolarHBondContact CA-O 3.43Å; N60-N112 PolarHBondContact ND2-O 3.05Å; F61-N112 HydrophobicContact CD1-CB 4.42Å; F61-N112 HydrophobicContact CE1-CB 3.85Å; F61-N112 HydrophobicContact CE2-CB 4.18Å; F61-N112 HydrophobicContact CZ-CB 3.72Å; F61-N112 PolarHBondContact N-O 2.74Å; F61-N112 PolarHBondContact O-N 2.92Å; F103-N112 HydrophobicContact CE2-CB 4.1Å; F103-N112 HydrophobicContact CZ-CB 3.66Å; S110-N112 PolarHBondContact OG-ND2 2.82Å |
| 113 | T | 96.5 | Very high | 88.2 | Confident | 72 Ų | 72 | 67 Ų | 67 | 44% | 0.442 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.6 | 168.9 | -61.2 | 0 | 0 | 0 | 0 | 108.4 | W15 E58 I59 N60 | W15-T113 HydrophobicContact CH2-CG2 3.88Å; E58-T113 HydrophobicContact CG-CG2 3.34Å; I59-T113 CarbonylContact O-C 3.57Å; I59-T113 WeakPolarHBondContact O-CA 3.35Å; N60-T113 PolarHBondContact ND2-OG1 2.85Å |
| 114 | W | 96.3 | Very high | 86.1 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 7% | 0.072 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 118.3 | -176.1 | -178.7 | 22.4 | 0 | 0 | 0 | 111.3 | E58 I59 F61 F70 L72 F101 E102 F103 N116 | E58-W114 WeakPolarHBondContact CA-O 3.2Å; I59-W114 PolarHBondContact N-O 3.27Å; I59-W114 PolarHBondContact O-N 2.83Å; F61-W114 HydrophobicContact CE1-CB 4.13Å; F61-W114 HydrophobicContact CE1-CE3 4.4Å; F70-W114 HydrophobicContact CD1-CZ3 4.44Å; F70-W114 HydrophobicContact CE1-CE3 4.23Å; F70-W114 AromaticContact CE1-CZ3 3.92Å; F70-W114 HydrophobicContact CE1-CZ3 3.92Å; L72-W114 HydrophobicContact CB-CH2 4.38Å; L72-W114 HydrophobicContact CD1-CE3 4.23Å; L72-W114 HydrophobicContact CD1-CH2 3.77Å; L72-W114 HydrophobicContact CD1-CZ3 3.33Å; L72-W114 HydrophobicContact CD2-CZ3 4.42Å; L72-W114 HydrophobicContact CG-CH2 3.71Å; L72-W114 HydrophobicContact CG-CZ3 3.52Å; F101-W114 HydrophobicContact CB-CH2 3.55Å; F101-W114 HydrophobicContact CB-CZ2 3.43Å; F101-W114 VanDerWaalsContact CB-CZ2 3.43Å; F101-W114 WeakPolarHBondContact O-CH2 3.33Å; E102-W114 VanDerWaalsContact C-CZ2 3.4Å; E102-W114 WeakPolarHBondContact O-CZ2 3.48Å; F103-W114 HydrophobicContact CB-CD2 4.04Å; F103-W114 HydrophobicContact CB-CE3 4.11Å; F103-W114 HydrophobicContact CB-CH2 4.04Å; F103-W114 HydrophobicContact CB-CZ2 3.99Å; F103-W114 HydrophobicContact CB-CZ3 4.08Å; F103-W114 HydrophobicContact CD2-CB 3.77Å; F103-W114 AromaticContact CD2-CD1 3.86Å; F103-W114 AromaticContact CD2-CD2 3.74Å; F103-W114 HydrophobicContact CD2-CD2 3.74Å; F103-W114 HydrophobicContact CD2-CE3 4.22Å; F103-W114 AromaticContact CD2-CG 3.54Å; F103-W114 HydrophobicContact CD2-CG 3.54Å; F103-W114 HydrophobicContact CE2-CB 3.95Å; F103-W114 HydrophobicContact CE2-CG 4.18Å; F103-W114 HydrophobicContact CG-CD2 4.35Å; W114-N116 VanDerWaalsContact CD2-ND2 3.34Å; W114-N116 VanDerWaalsContact CE2-OD1 3.24Å; W114-N116 WeakPolarHBondContact CZ2-OD1 3.2Å; W114-N116 PolarHBondContact NE1-ND2 2.97Å; W114-N116 PolarHBondContact NE1-OD1 2.9Å |
| 115 | Q | 95.1 | Very high | 84.1 | Confident | 130 Ų | 130 | 74 Ų | 74 | 61% | 0.607 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 135 | 176.3 | -67.3 | 178.4 | -20.2 | 0 | 0 | 111.1 | R57 E58 | R57-Q115 CarbonylContact O-C 3.58Å; R57-Q115 VanDerWaalsContact O-CA 3.3Å; R57-Q115 WeakPolarHBondContact O-CA 3.32Å; E58-Q115 HydrophobicContact CB-CG 4.31Å; E58-Q115 HydrophobicContact CG-CG 3.91Å; E58-Q115 PolarHBondContact OE2-NE2 2.78Å |
| 116 | N | 93.3 | Very high | 82.4 | Confident | 19 Ų | 19 | 73.8 Ų | 73.8 | 10% | 0.102 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 146.2 | 178.6 | -71.1 | -61.5 | 0 | 0 | 0 | 110.3 | R57 F101 W114 | R57-N116 PolarHBondContact N-O 2.76Å; R57-N116 PolarHBondContact NH2-ND2 2.92Å; R57-N116 PolarHBondContact O-N 2.74Å; F101-N116 HydrophobicContact CD1-CB 3.84Å; F101-N116 WeakPolarHBondContact CD1-OD1 3.44Å; F101-N116 HydrophobicContact CE1-CB 3.97Å; W114-N116 VanDerWaalsContact CD2-ND2 3.34Å; W114-N116 VanDerWaalsContact CE2-OD1 3.24Å; W114-N116 WeakPolarHBondContact CZ2-OD1 3.2Å; W114-N116 PolarHBondContact NE1-ND2 2.97Å; W114-N116 PolarHBondContact NE1-OD1 2.9Å |
| 117 | A | 91.6 | Very high | 81.1 | Confident | 57 Ų | 57 | 75.6 Ų | 75.6 | 47% | 0.471 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | V54 | V54-A117 HydrophobicContact CG1-CB 4.09Å |
| 118 | I | 90.1 | Very high | 80.1 | Confident | 20 Ų | 20 | 74.2 Ų | 74.2 | 10% | 0.103 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 110.7 | 174.7 | -53.7 | 175.3 | 0 | 0 | 0 | 107.1 | V54 I55 R57 W99 F101 | V54-I118 WeakPolarHBondContact CA-O 3.36Å; I55-I118 HydrophobicContact CB-CB 4.31Å; I55-I118 PolarHBondContact N-O 2.87Å; I55-I118 PolarHBondContact O-N 3.02Å; R57-I118 HydrophobicContact CB-CD1 4.26Å; W99-I118 HydrophobicContact CD2-CG2 4.01Å; W99-I118 HydrophobicContact CE3-CG2 4.16Å; W99-I118 HydrophobicContact CH2-CG2 3.56Å; W99-I118 HydrophobicContact CZ2-CG2 3.36Å; W99-I118 HydrophobicContact CZ3-CG2 3.96Å; F101-I118 HydrophobicContact CZ-CG1 4.03Å |
| 119 | E | 84.6 | Confident | 79.1 | Confident | 126 Ų | 126 | 73.4 Ų | 73.4 | 59% | 0.589 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 135.6 | 179.7 | -59.7 | -170.9 | 172.5 | 0 | 0 | 110.8 | V54 | V54-E119 HydrophobicContact CG2-CG 4.24Å |
| 120 | A | 72.3 | Confident | 78.3 | Confident | 58 Ų | 58 | 71.6 Ų | 71.6 | 48% | 0.479 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 131.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | R53 A122 | R53-A120 PolarHBondContact O-N 3.26Å; A120-A122 PolarHBondContact O-N 2.94Å |
| 121 | A | 66.2 | Low | 77.5 | Confident | 46 Ų | 46 | 75.3 Ų | 75.3 | 38% | 0.38 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -64 | 127.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | I97 D123 A124 | I97-A121 HydrophobicContact CD1-CB 3.93Å; A121-D123 PolarHBondContact O-N 3.06Å; A121-D123 VanDerWaalsContact O-N 3.11Å; A121-A124 HydrophobicContact CB-CB 4.02Å; A121-A124 PolarHBondContact O-N 2.89Å; A121-A124 VanDerWaalsContact O-N 3.09Å |
| 122 | A | 55.8 | Low | 77 | Confident | 101 Ų | 101 | 72 Ų | 72 | 84% | 0.835 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -32 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A120 | A120-A122 PolarHBondContact O-N 2.94Š|
| 123 | D | 49.4 | Very low | 76.7 | Confident | 158 Ų | 158 | 73.4 Ų | 73.4 | 85% | 0.845 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 4.9 | -175.9 | -55.2 | -32.2 | 0 | 0 | 0 | 113.4 | A121 Q125 | A121-D123 PolarHBondContact O-N 3.06Å; A121-D123 VanDerWaalsContact O-N 3.11Å; D123-Q125 PolarHBondContact O-N 2.77Å |
| 124 | A | 52 | Low | 76.5 | Confident | 53 Ų | 53 | 70.5 Ų | 70.5 | 44% | 0.438 | 43% | 0.427 | S | S | . | . | trans | -68.7 | 109.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | A121 V126 | A121-A124 HydrophobicContact CB-CB 4.02Å; A121-A124 PolarHBondContact O-N 2.89Å; A121-A124 VanDerWaalsContact O-N 3.09Å; A124-V126 PolarHBondContact O-N 2.68Å | ||
| 125 | Q | 55 | Low | 76.2 | Confident | 169 Ų | 169 | 71.9 Ų | 71.9 | 79% | 0.79 | 44% | 0.436 | S | S | * | . | trans | -54.1 | 99.7 | 157.2 | -93.4 | -178.5 | -0.1 | 0 | 0 | 106.9 | D123 L127 | D123-Q125 PolarHBondContact O-N 2.77Å; Q125-L127 PolarHBondContact O-N 3.22Å | ||
| 126 | V | 61.9 | Low | 76 | Confident | 94 Ų | 94 | 65.9 Ų | 65.9 | 57% | 0.57 | 41% | 0.408 | S | S | * | . | trans | -65.5 | 103.8 | 176.5 | -174.6 | 0 | 0 | 0 | 0 | 105.4 | A124 | A124-V126 PolarHBondContact O-N 2.68Š| ||
| 127 | L | 69.7 | Low | 75.9 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 20% | 0.199 | 41% | 0.405 | C | S | . | . | trans | -56.5 | 142.6 | 174.2 | -67.5 | 172.9 | 0 | 0 | 0 | 108.1 | V78 Q125 L132 | V78-L127 HydrophobicContact CG1-CD1 3.98Å; Q125-L127 PolarHBondContact O-N 3.22Å; L127-L132 HydrophobicContact CB-CD1 4.33Å; L127-L132 HydrophobicContact CB-CD2 3.74Å; L127-L132 HydrophobicContact CB-CG 3.84Å; L127-L132 HydrophobicContact CD1-CD2 3.9Å; L127-L132 HydrophobicContact CG-CD2 4.4Å; L127-L132 WeakPolarHBondContact O-CD1 3.39Å | ||
| 128 | P | 73.3 | Confident | 76 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 47% | 0.468 | 39% | 0.389 | S | S | . | . | trans | -56.2 | 145.4 | 179 | 21.4 | -32.6 | 0 | 0 | 0 | 110.9 | S130 L131 L132 | P128-S130 PolarHBondContact O-N 2.79Å; P128-L131 HydrophobicContact CG-CB 4.22Å; P128-L131 HydrophobicContact CG-CD1 3.66Å; P128-L131 HydrophobicContact CG-CG 3.87Å; P128-L131 PolarHBondContact O-N 3.07Å; P128-L132 PolarHBondContact O-N 2.81Å; P128-L132 VanDerWaalsContact O-N 3.16Å | ||
| 129 | A | 74.7 | Confident | 76.2 | Confident | 35 Ų | 35 | 63.9 Ų | 63.9 | 29% | 0.289 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -51.5 | -35.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L50 L131 L132 N133 | L50-A129 HydrophobicContact CD1-CB 3.51Å; A129-L131 VanDerWaalsContact C-N 3.3Å; A129-L131 PolarHBondContact O-N 3.2Å; A129-L132 PolarHBondContact O-N 2.86Å; A129-N133 VanDerWaalsContact O-CB 3.27Å; A129-N133 WeakPolarHBondContact O-CB 3.41Å; A129-N133 PolarHBondContact O-N 2.82Å |
| 130 | S | 78 | Confident | 76.7 | Confident | 100 Ų | 100 | 58.3 Ų | 58.3 | 70% | 0.699 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.9 | -32.4 | 176.6 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | P128 | P128-S130 PolarHBondContact O-N 2.79Å |
| 131 | L | 79.1 | Confident | 77.8 | Confident | 95 Ų | 95 | 55.9 Ų | 55.9 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -82 | -30.7 | 174.4 | -70.3 | -179.8 | 0 | 0 | 0 | 112 | P128 A129 N135 | P128-L131 HydrophobicContact CG-CB 4.22Å; P128-L131 HydrophobicContact CG-CD1 3.66Å; P128-L131 HydrophobicContact CG-CG 3.87Å; P128-L131 PolarHBondContact O-N 3.07Å; A129-L131 VanDerWaalsContact C-N 3.3Å; A129-L131 PolarHBondContact O-N 3.2Å; L131-N135 WeakPolarHBondContact O-CB 3.34Å; L131-N135 PolarHBondContact O-ND2 3Å |
| 132 | L | 86.6 | Confident | 79.2 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -79.8 | -31 | 179.6 | -65.6 | 179 | 0 | 0 | 0 | 112.9 | L50 V78 L127 P128 A129 G134 N135 V136 Y158 | L50-L132 HydrophobicContact CD1-CD1 4.06Å; L50-L132 HydrophobicContact CD2-CD1 3.7Å; V78-L132 HydrophobicContact CG1-CD2 4.23Å; V78-L132 HydrophobicContact CG2-CD2 4.34Å; L127-L132 HydrophobicContact CB-CD1 4.33Å; L127-L132 HydrophobicContact CB-CD2 3.74Å; L127-L132 HydrophobicContact CB-CG 3.84Å; L127-L132 HydrophobicContact CD1-CD2 3.9Å; L127-L132 HydrophobicContact CG-CD2 4.4Å; L127-L132 WeakPolarHBondContact O-CD1 3.39Å; P128-L132 PolarHBondContact O-N 2.81Å; P128-L132 VanDerWaalsContact O-N 3.16Å; A129-L132 PolarHBondContact O-N 2.86Å; L132-G134 PolarHBondContact O-N 3.42Å; L132-G134 VanDerWaalsContact O-N 3.14Å; L132-N135 PolarHBondContact O-N 3.32Å; L132-V136 HydrophobicContact CB-CG2 3.92Å; L132-V136 HydrophobicContact CD2-CG2 3.68Å; L132-V136 HydrophobicContact CG-CG2 4.35Å; L132-V136 PolarHBondContact O-N 2.88Å; L132-Y158 HydrophobicContact CB-CD2 3.84Å; L132-Y158 HydrophobicContact CB-CE2 3.54Å |
| 133 | N | 89.7 | Confident | 81.1 | Confident | 65 Ų | 65 | 51.4 Ų | 51.4 | 35% | 0.348 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 115.8 | -174 | -172.8 | 34.8 | 0 | 0 | 0 | 112 | A129 N135 F157 Y158 | A129-N133 VanDerWaalsContact O-CB 3.27Å; A129-N133 WeakPolarHBondContact O-CB 3.41Å; A129-N133 PolarHBondContact O-N 2.82Å; N133-N135 PolarHBondContact O-N 3.28Å; N133-F157 WeakPolarHBondContact OD1-CA 3.38Å; N133-F157 WeakPolarHBondContact OD1-CB 3.27Å; N133-Y158 HydrophobicContact CB-CD2 4.5Å; N133-Y158 PolarHBondContact OD1-N 2.85Å |
| 134 | G | 91.3 | Very high | 83.3 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 11% | 0.113 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | -3.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L132 R155 L156 F157 | L132-G134 PolarHBondContact O-N 3.42Å; L132-G134 VanDerWaalsContact O-N 3.14Å; G134-R155 WeakPolarHBondContact O-CD 3.49Å; G134-R155 PolarHBondContact O-NH1 2.83Å; G134-L156 WeakPolarHBondContact CA-O 3.44Å; G134-L156 PolarHBondContact N-O 3.14Å; G134-F157 VanDerWaalsContact CA-CE1 3.46Å |
| 135 | N | 90.4 | Very high | 85.4 | Confident | 47 Ų | 47 | 43.9 Ų | 43.9 | 25% | 0.251 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -9.6 | -177.7 | -70.5 | -37.5 | 0 | 0 | 0 | 113 | K79 L131 L132 N133 | K79-N135 HydrophobicContact CB-CB 3.98Å; K79-N135 WeakPolarHBondContact CB-O 3.45Å; K79-N135 PolarHBondContact N-O 3.39Å; L131-N135 WeakPolarHBondContact O-CB 3.34Å; L131-N135 PolarHBondContact O-ND2 3Å; L132-N135 PolarHBondContact O-N 3.32Å; N133-N135 PolarHBondContact O-N 3.28Å |
| 136 | V | 90.8 | Very high | 87.4 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 131.1 | 174.9 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | V76 F77 V78 L132 R155 L156 Y158 | V76-V136 HydrophobicContact CG1-CG1 3.72Å; F77-V136 CarbonylContact O-C 3.59Å; F77-V136 WeakPolarHBondContact O-CA 3.43Å; V78-V136 HydrophobicContact CG2-CG2 4.27Å; L132-V136 HydrophobicContact CB-CG2 3.92Å; L132-V136 HydrophobicContact CD2-CG2 3.68Å; L132-V136 HydrophobicContact CG-CG2 4.35Å; L132-V136 PolarHBondContact O-N 2.88Å; V136-R155 CarbonylContact O-C 3.54Å; V136-R155 WeakPolarHBondContact O-CA 3.42Å; V136-L156 HydrophobicContact CB-CB 4.2Å; V136-L156 HydrophobicContact CB-CD1 4.45Å; V136-L156 HydrophobicContact CB-CG 4.4Å; V136-L156 HydrophobicContact CG1-CB 4.49Å; V136-L156 HydrophobicContact CG1-CD1 3.92Å; V136-L156 HydrophobicContact CG1-CG 4.17Å; V136-L156 PolarHBondContact O-N 3.42Å; V136-Y158 HydrophobicContact CG2-CE2 4.12Å |
| 137 | V | 92.5 | Very high | 88.9 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.5 | 168 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | F77 F93 R153 V154 R155 | F77-V137 PolarHBondContact N-O 2.84Å; F77-V137 PolarHBondContact O-N 3.35Å; F93-V137 HydrophobicContact CE1-CG2 3.99Å; V137-R153 HydrophobicContact CG1-CB 4.05Å; V137-R153 HydrophobicContact CG1-CG 4.36Å; V137-V154 CarbonylContact C-O 3.53Å; V137-V154 WeakPolarHBondContact CA-O 3.36Å; V137-R155 HydrophobicContact CG2-CB 4.34Å; V137-R155 HydrophobicContact CG2-CG 4.46Å |
| 138 | I | 93.3 | Very high | 90.1 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 117.4 | 168.4 | -58 | -172 | 0 | 0 | 0 | 107.8 | Q74 K75 V76 R153 V154 L156 | Q74-I138 HydrophobicContact CB-CG2 4.36Å; Q74-I138 HydrophobicContact CG-CG2 4.46Å; K75-I138 WeakPolarHBondContact O-CA 3.47Å; V76-I138 HydrophobicContact CG2-CG1 4.29Å; I138-R153 CarbonylContact O-C 3.58Å; I138-R153 WeakPolarHBondContact O-CA 3.47Å; I138-V154 PolarHBondContact N-O 2.99Å; I138-V154 PolarHBondContact O-N 3.39Å; I138-L156 HydrophobicContact CD1-CD1 3.78Å; I138-L156 HydrophobicContact CD1-CD2 4.42Å; I138-L156 HydrophobicContact CD1-CG 4.41Å; I138-L156 HydrophobicContact CG1-CD1 4.07Å; I138-L156 HydrophobicContact CG1-CG 4.35Å |
| 139 | E | 94.5 | Very high | 91 | Very high | 22 Ų | 22 | 42.4 Ų | 42.4 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 128.5 | 165.7 | -177.2 | 179.3 | 86.4 | 0 | 0 | 108.8 | Q74 K75 F77 T151 S152 R153 | Q74-E139 CarbonylContact C-O 3.58Å; Q74-E139 WeakPolarHBondContact CA-O 3.11Å; K75-E139 HydrophobicContact CB-CB 4.28Å; K75-E139 PolarHBondContact N-O 2.92Å; K75-E139 PolarHBondContact O-N 3.24Å; F77-E139 HydrophobicContact CD2-CB 4.22Å; F77-E139 HydrophobicContact CE2-CB 3.73Å; E139-T151 HydrophobicContact CG-CG2 3.58Å; E139-S152 CarbonylContact C-O 3.58Å; E139-S152 WeakPolarHBondContact CA-O 3.31Å; E139-R153 HydrophobicContact CB-CG 4.24Å; E139-R153 HydrophobicContact CG-CG 4.22Å; E139-R153 IonicContact OE2-CZ 3.93Å; E139-R153 IonicContact OE2-NE 2.76Å; E139-R153 PolarHBondContact OE2-NE 2.81Å; E139-R153 IonicContact OE2-NH2 3.9Å; E139-R153 PolarHBondContact OE2-NH2 3.14Å |
| 140 | T | 95.3 | Very high | 91.8 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 119.9 | 176.7 | -53.8 | 0 | 0 | 0 | 0 | 108.8 | L72 Q74 F142 T151 S152 | L72-T140 HydrophobicContact CD1-CG2 4.49Å; L72-T140 HydrophobicContact CD2-CG2 4.21Å; Q74-T140 HydrophobicContact CG-CG2 3.77Å; Q74-T140 PolarHBondContact NE2-OG1 2.78Å; T140-F142 HydrophobicContact CG2-CD2 4.14Å; T140-F142 HydrophobicContact CG2-CE1 4.24Å; T140-F142 HydrophobicContact CG2-CE2 3.56Å; T140-F142 HydrophobicContact CG2-CZ 3.6Å; T140-T151 CarbonylContact O-C 3.57Å; T140-T151 WeakPolarHBondContact O-CA 3.33Å; T140-S152 PolarHBondContact N-O 3.18Å; T140-S152 PolarHBondContact O-N 3.02Å |
| 141 | N | 95.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 125.4 | 173.7 | -62.1 | -54.4 | 0 | 0 | 0 | 108.8 | L72 E73 Y143 L148 T151 | L72-N141 WeakPolarHBondContact CA-O 3.16Å; E73-N141 HydrophobicContact CB-CB 4.24Å; E73-N141 PolarHBondContact N-O 2.89Å; E73-N141 PolarHBondContact O-N 3.3Å; N141-Y143 HydrophobicContact CB-CD2 4.2Å; N141-Y143 HydrophobicContact CB-CE2 3.37Å; N141-L148 HydrophobicContact CB-CD1 3.82Å; N141-T151 WeakPolarHBondContact OD1-CB 3.5Å; N141-T151 WeakPolarHBondContact OD1-CG2 3.49Å; N141-T151 PolarHBondContact OD1-OG1 3.22Å |
| 142 | F | 95.1 | Very high | 93.3 | Very high | 16 Ų | 16 | 34.1 Ų | 34.1 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 130.2 | 179.9 | -62.2 | -100.5 | 0 | 0 | 0 | 109.1 | F11 F70 L72 T140 I149 S150 | F11-F142 HydrophobicContact CD1-CD1 4.45Å; F11-F142 AromaticContact CE1-CD1 3.81Å; F11-F142 HydrophobicContact CE1-CD1 3.81Å; F11-F142 AromaticContact CE1-CE1 3.59Å; F11-F142 HydrophobicContact CE1-CE1 3.59Å; F11-F142 HydrophobicContact CE1-CZ 4.37Å; F11-F142 AromaticContact CZ-CD1 3.93Å; F11-F142 HydrophobicContact CZ-CD1 3.93Å; F11-F142 AromaticContact CZ-CE1 3.83Å; F11-F142 HydrophobicContact CZ-CE1 3.83Å; F70-F142 HydrophobicContact CE2-CB 4.29Å; F70-F142 HydrophobicContact CE2-CD1 4.01Å; F70-F142 AromaticContact CZ-CD1 3.89Å; F70-F142 HydrophobicContact CZ-CD1 3.89Å; L72-F142 HydrophobicContact CD2-CB 4.19Å; L72-F142 HydrophobicContact CD2-CD1 3.07Å; L72-F142 HydrophobicContact CD2-CE1 3.4Å; L72-F142 VanDerWaalsContact CD2-CE1 3.4Å; L72-F142 HydrophobicContact CD2-CG 3.69Å; L72-F142 HydrophobicContact CD2-CZ 4.28Å; T140-F142 HydrophobicContact CG2-CD2 4.14Å; T140-F142 HydrophobicContact CG2-CE1 4.24Å; T140-F142 HydrophobicContact CG2-CE2 3.56Å; T140-F142 HydrophobicContact CG2-CZ 3.6Å; F142-I149 HydrophobicContact CB-CB 4.2Å; F142-I149 WeakPolarHBondContact O-CB 3.26Å; F142-I149 PolarHBondContact O-N 3.24Å; F142-S150 WeakPolarHBondContact CD2-OG 3.42Å; F142-S150 PolarHBondContact N-O 2.93Å |
| 143 | Y | 95.9 | Very high | 93.7 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 15% | 0.149 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 148.8 | -175.4 | -66.9 | -91.1 | 0 | 0 | 0 | 112.8 | F70 W71 E73 N141 L147 L148 | F70-Y143 VanDerWaalsContact CA-O 3.3Å; F70-Y143 WeakPolarHBondContact CA-O 3.42Å; F70-Y143 WeakPolarHBondContact CD2-O 3.16Å; W71-Y143 AromaticContact CD2-CD2 3.98Å; W71-Y143 HydrophobicContact CD2-CD2 3.98Å; W71-Y143 HydrophobicContact CD2-CG 4.2Å; W71-Y143 AromaticContact CE2-CD2 3.67Å; W71-Y143 AromaticContact CE2-CG 3.52Å; W71-Y143 HydrophobicContact CE3-CD2 4.03Å; W71-Y143 HydrophobicContact CH2-CD1 4.39Å; W71-Y143 AromaticContact CH2-CD2 3.47Å; W71-Y143 HydrophobicContact CH2-CD2 3.47Å; W71-Y143 VanDerWaalsContact CH2-CD2 3.47Å; W71-Y143 HydrophobicContact CH2-CE1 4.45Å; W71-Y143 AromaticContact CH2-CE2 3.51Å; W71-Y143 HydrophobicContact CH2-CE2 3.51Å; W71-Y143 AromaticContact CH2-CG 3.94Å; W71-Y143 HydrophobicContact CH2-CG 3.94Å; W71-Y143 AromaticContact CZ2-CD1 3.76Å; W71-Y143 HydrophobicContact CZ2-CD1 3.76Å; W71-Y143 AromaticContact CZ2-CD2 3.41Å; W71-Y143 HydrophobicContact CZ2-CD2 3.41Å; W71-Y143 VanDerWaalsContact CZ2-CD2 3.41Å; W71-Y143 HydrophobicContact CZ2-CE1 4.19Å; W71-Y143 AromaticContact CZ2-CE2 3.84Å; W71-Y143 HydrophobicContact CZ2-CE2 3.84Å; W71-Y143 AromaticContact CZ2-CG 3.36Å; W71-Y143 HydrophobicContact CZ2-CG 3.36Å; W71-Y143 AromaticContact CZ3-CD2 3.81Å; W71-Y143 HydrophobicContact CZ3-CD2 3.81Å; W71-Y143 AromaticContact CZ3-CE2 3.96Å; W71-Y143 HydrophobicContact CZ3-CE2 3.96Å; W71-Y143 PolarHBondContact N-O 2.8Å; W71-Y143 AromaticContact NE1-CG 3.85Å; W71-Y143 PolarHBondContact O-N 3.01Å; E73-Y143 HydrophobicContact CB-CE2 3.96Å; N141-Y143 HydrophobicContact CB-CD2 4.2Å; N141-Y143 HydrophobicContact CB-CE2 3.37Å; Y143-L147 CarbonylContact C-O 3.55Å; Y143-L147 WeakPolarHBondContact CA-O 3.37Å; Y143-L147 WeakPolarHBondContact CD1-O 3.27Å; Y143-L148 HydrophobicContact CD1-CB 4.1Å; Y143-L148 HydrophobicContact CD1-CD1 4.21Å; Y143-L148 HydrophobicContact CE1-CB 3.8Å; Y143-L148 HydrophobicContact CE1-CD1 3.74Å; Y143-L148 HydrophobicContact CE1-CG 4.36Å; Y143-L148 HydrophobicContact CE2-CD1 4.16Å |
| 144 | D | 95.6 | Very high | 94 | Very high | 35 Ų | 35 | 36.9 Ų | 36.9 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 105.4 | 158 | -178.5 | 15.1 | 0 | 0 | 0 | 108.9 | M67 E68 K69 L147 I149 | M67-D144 WeakPolarHBondContact CA-OD2 3.24Å; M67-D144 HydrophobicContact CB-CB 4.22Å; M67-D144 HydrophobicContact CG-CB 4.21Å; E68-D144 PolarHBondContact N-OD1 3.19Å; E68-D144 PolarHBondContact N-OD2 2.82Å; K69-D144 PolarHBondContact N-OD1 2.82Å; K69-D144 WeakPolarHBondContact O-CA 3.49Å; D144-L147 PolarHBondContact N-O 2.83Å; D144-L147 WeakPolarHBondContact O-CB 3.44Å; D144-L147 PolarHBondContact O-N 2.85Å; D144-I149 HydrophobicContact CB-CD1 3.99Å; D144-I149 HydrophobicContact CB-CG1 4.41Å |
| 145 | G | 95.8 | Very high | 94.2 | Very high | 18 Ų | 18 | 38.1 Ų | 38.1 | 19% | 0.186 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | -123.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | K69 W71 L147 | K69-G145 PolarHBondContact O-N 3.05Å; W71-G145 PolarHBondContact NE1-O 3.16Å; G145-L147 VanDerWaalsContact C-N 3.34Å |
| 146 | P | 95.8 | Very high | 94.3 | Very high | 133 Ų | 133 | 36.7 Ų | 36.7 | 86% | 0.864 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -8.4 | 176.5 | 34.8 | -35.1 | 0 | 0 | 0 | 114 | ||
| 147 | L | 94.7 | Very high | 94.5 | Very high | 103 Ų | 103 | 38.7 Ų | 38.7 | 54% | 0.539 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 121.1 | -174 | 178.9 | 65 | 0 | 0 | 0 | 110.6 | Y143 D144 G145 I149 | Y143-L147 CarbonylContact C-O 3.55Å; Y143-L147 WeakPolarHBondContact CA-O 3.37Å; Y143-L147 WeakPolarHBondContact CD1-O 3.27Å; D144-L147 PolarHBondContact N-O 2.83Å; D144-L147 WeakPolarHBondContact O-CB 3.44Å; D144-L147 PolarHBondContact O-N 2.85Å; G145-L147 VanDerWaalsContact C-N 3.34Å; L147-I149 PolarHBondContact O-N 3.42Å |
| 148 | L | 94.6 | Very high | 94.4 | Very high | 81 Ų | 81 | 39.8 Ų | 39.8 | 42% | 0.424 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 118.9 | 169.6 | -180 | 68 | 0 | 0 | 0 | 109.8 | N141 Y143 | N141-L148 HydrophobicContact CB-CD1 3.82Å; Y143-L148 HydrophobicContact CD1-CB 4.1Å; Y143-L148 HydrophobicContact CD1-CD1 4.21Å; Y143-L148 HydrophobicContact CE1-CB 3.8Å; Y143-L148 HydrophobicContact CE1-CD1 3.74Å; Y143-L148 HydrophobicContact CE1-CG 4.36Å; Y143-L148 HydrophobicContact CE2-CD1 4.16Å |
| 149 | I | 91.8 | Very high | 94.2 | Very high | 24 Ų | 24 | 44.9 Ų | 44.9 | 12% | 0.123 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -53.7 | 179.3 | -60.6 | 173 | 0 | 0 | 0 | 110 | S7 M67 F70 F142 D144 L147 | S7-I149 VanDerWaalsContact OG-CA 3.27Å; S7-I149 WeakPolarHBondContact OG-CA 3.33Å; S7-I149 WeakPolarHBondContact OG-CG2 3.27Å; S7-I149 PolarHBondContact OG-O 2.89Å; M67-I149 HydrophobicContact CG-CD1 4.5Å; M67-I149 HydrophobicContact SD-CD1 3.55Å; M67-I149 VanDerWaalsContact SD-CD1 3.55Å; F70-I149 HydrophobicContact CD2-CD1 4.32Å; F142-I149 HydrophobicContact CB-CB 4.2Å; F142-I149 WeakPolarHBondContact O-CB 3.26Å; F142-I149 PolarHBondContact O-N 3.24Å; D144-I149 HydrophobicContact CB-CD1 3.99Å; D144-I149 HydrophobicContact CB-CG1 4.41Å; L147-I149 PolarHBondContact O-N 3.42Å |
| 150 | S | 91.7 | Very high | 94.2 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 161.5 | -178.2 | 71.2 | 0 | 0 | 0 | 0 | 111.6 | F142 | F142-S150 WeakPolarHBondContact CD2-OG 3.42Å; F142-S150 PolarHBondContact N-O 2.93Å |
| 151 | T | 94.2 | Very high | 94.2 | Very high | 41 Ų | 41 | 48 Ų | 48 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 119.5 | 172.4 | -61 | 0 | 0 | 0 | 0 | 109.1 | P37 E139 T140 N141 | P37-T151 WeakPolarHBondContact CA-O 3.48Å; P37-T151 WeakPolarHBondContact CB-O 3.37Å; E139-T151 HydrophobicContact CG-CG2 3.58Å; T140-T151 CarbonylContact O-C 3.57Å; T140-T151 WeakPolarHBondContact O-CA 3.33Å; N141-T151 WeakPolarHBondContact OD1-CB 3.5Å; N141-T151 WeakPolarHBondContact OD1-CG2 3.49Å; N141-T151 PolarHBondContact OD1-OG1 3.22Å |
| 152 | S | 94.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 159.2 | 174.5 | 80.8 | 0 | 0 | 0 | 0 | 111.7 | L34 E139 T140 | L34-S152 WeakPolarHBondContact O-CB 3.41Å; L34-S152 PolarHBondContact O-OG 3.18Å; E139-S152 CarbonylContact C-O 3.58Å; E139-S152 WeakPolarHBondContact CA-O 3.31Å; T140-S152 PolarHBondContact N-O 3.18Å; T140-S152 PolarHBondContact O-N 3.02Å |
| 153 | R | 94.9 | Very high | 94.1 | Very high | 125 Ų | 125 | 52.3 Ų | 52.3 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 132.9 | 178.6 | -69.3 | -176.8 | 180 | 140.4 | 1.7 | 110.6 | E40 H41 V137 I138 E139 | E40-R153 HydrophobicContact CG-CB 4.49Å; H41-R153 PolarHBondContact CD2-O 3.37Å; H41-R153 PolarHBondContact N-O 2.83Å; V137-R153 HydrophobicContact CG1-CB 4.05Å; V137-R153 HydrophobicContact CG1-CG 4.36Å; I138-R153 CarbonylContact O-C 3.58Å; I138-R153 WeakPolarHBondContact O-CA 3.47Å; E139-R153 HydrophobicContact CB-CG 4.24Å; E139-R153 HydrophobicContact CG-CG 4.22Å; E139-R153 IonicContact OE2-CZ 3.93Å; E139-R153 IonicContact OE2-NE 2.76Å; E139-R153 PolarHBondContact OE2-NE 2.81Å; E139-R153 IonicContact OE2-NH2 3.9Å; E139-R153 PolarHBondContact OE2-NH2 3.14Å |
| 154 | V | 95.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 53.2 Ų | 53.2 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 119.1 | 178 | -170.2 | 0 | 0 | 0 | 0 | 109.2 | L34 H41 A43 V137 I138 L156 | L34-V154 HydrophobicContact CB-CG2 4.23Å; L34-V154 HydrophobicContact CD1-CG2 4.49Å; H41-V154 HydrophobicContact CB-CB 4.46Å; H41-V154 HydrophobicContact CB-CG1 4.28Å; H41-V154 HydrophobicContact CB-CG2 4.15Å; H41-V154 CarbonylContact O-C 3.51Å; H41-V154 WeakPolarHBondContact O-CA 3.11Å; A43-V154 HydrophobicContact CB-CG1 3.8Å; V137-V154 CarbonylContact C-O 3.53Å; V137-V154 WeakPolarHBondContact CA-O 3.36Å; I138-V154 PolarHBondContact N-O 2.99Å; I138-V154 PolarHBondContact O-N 3.39Å; V154-L156 HydrophobicContact CG1-CD2 4.04Å |
| 155 | R | 94.8 | Very high | 93.8 | Very high | 38 Ų | 38 | 54.4 Ų | 54.4 | 14% | 0.143 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 130.9 | 170.2 | -175.9 | 175.5 | -61.7 | -70.6 | -12.4 | 110 | E40 H41 Q42 A43 G134 V136 V137 F157 | E40-R155 HydrophobicContact CG-CB 4.22Å; E40-R155 IonicContact OE1-CZ 2.77Å; E40-R155 IonicContact OE1-NE 3.22Å; E40-R155 PolarHBondContact OE1-NE 2.81Å; E40-R155 IonicContact OE1-NH2 3.15Å; E40-R155 PolarHBondContact OE1-NH2 3.02Å; E40-R155 IonicContact OE2-CZ 2.74Å; E40-R155 IonicContact OE2-NE 2.82Å; E40-R155 IonicContact OE2-NH2 2.81Å; E40-R155 PolarHBondContact OE2-NH2 2.93Å; H41-R155 PolarHBondContact O-N 2.91Å; Q42-R155 WeakPolarHBondContact CA-O 3.37Å; A43-R155 PolarHBondContact N-O 2.93Å; G134-R155 WeakPolarHBondContact O-CD 3.49Å; G134-R155 PolarHBondContact O-NH1 2.83Å; V136-R155 CarbonylContact O-C 3.54Å; V136-R155 WeakPolarHBondContact O-CA 3.42Å; V137-R155 HydrophobicContact CG2-CB 4.34Å; V137-R155 HydrophobicContact CG2-CG 4.46Å; R155-F157 HydrophobicContact CB-CE2 4.4Å; R155-F157 HydrophobicContact CG-CE2 3.88Å; R155-F157 HydrophobicContact CG-CZ 4.13Å |
| 156 | L | 94 | Very high | 93.7 | Very high | 17 Ų | 17 | 57 Ų | 57 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 135 | -179.2 | -50.5 | -172.6 | 0 | 0 | 0 | 111.6 | A43 L45 G134 V136 I138 V154 Y158 | A43-L156 HydrophobicContact CB-CD2 3.98Å; L45-L156 HydrophobicContact CD1-CB 4.27Å; L45-L156 HydrophobicContact CD1-CD2 3.89Å; L45-L156 HydrophobicContact CD1-CG 4.46Å; G134-L156 WeakPolarHBondContact CA-O 3.44Å; G134-L156 PolarHBondContact N-O 3.14Å; V136-L156 HydrophobicContact CB-CB 4.2Å; V136-L156 HydrophobicContact CB-CD1 4.45Å; V136-L156 HydrophobicContact CB-CG 4.4Å; V136-L156 HydrophobicContact CG1-CB 4.49Å; V136-L156 HydrophobicContact CG1-CD1 3.92Å; V136-L156 HydrophobicContact CG1-CG 4.17Å; V136-L156 PolarHBondContact O-N 3.42Å; I138-L156 HydrophobicContact CD1-CD1 3.78Å; I138-L156 HydrophobicContact CD1-CD2 4.42Å; I138-L156 HydrophobicContact CD1-CG 4.41Å; I138-L156 HydrophobicContact CG1-CD1 4.07Å; I138-L156 HydrophobicContact CG1-CG 4.35Å; V154-L156 HydrophobicContact CG1-CD2 4.04Å; L156-Y158 HydrophobicContact CB-CE2 4.21Å; L156-Y158 WeakPolarHBondContact CD1-OH 3.31Å |
| 157 | F | 94.3 | Very high | 93.5 | Very high | 45 Ų | 45 | 51.2 Ų | 51.2 | 20% | 0.197 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.2 | 167.9 | -63.5 | -89.9 | 0 | 0 | 0 | 109 | Q42 A43 H44 L45 N133 G134 R155 | Q42-F157 HydrophobicContact CB-CD2 4.41Å; Q42-F157 HydrophobicContact CB-CE2 4.13Å; Q42-F157 HydrophobicContact CG-CE2 3.94Å; A43-F157 PolarHBondContact O-N 2.91Å; H44-F157 WeakPolarHBondContact CA-O 3.28Å; H44-F157 AromaticContact CE1-CD2 3.82Å; H44-F157 AromaticContact CE1-CG 3.88Å; L45-F157 PolarHBondContact N-O 3.09Å; N133-F157 WeakPolarHBondContact OD1-CA 3.38Å; N133-F157 WeakPolarHBondContact OD1-CB 3.27Å; G134-F157 VanDerWaalsContact CA-CE1 3.46Å; R155-F157 HydrophobicContact CB-CE2 4.4Å; R155-F157 HydrophobicContact CG-CE2 3.88Å; R155-F157 HydrophobicContact CG-CZ 4.13Å |
| 158 | Y | 90.4 | Very high | 93.4 | Very high | 30 Ų | 30 | 46.8 Ų | 46.8 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 106.7 | 178.6 | -58.1 | -81 | 0 | 0 | 0 | 108.1 | L45 V49 L50 L132 N133 V136 L156 | L45-Y158 CarbonylContact O-C 3.56Å; L45-Y158 WeakPolarHBondContact O-CA 3.16Å; V49-Y158 HydrophobicContact CG1-CD1 3.79Å; V49-Y158 HydrophobicContact CG1-CE1 3.71Å; L50-Y158 HydrophobicContact CD1-CD1 3.84Å; L50-Y158 HydrophobicContact CD1-CD2 4.37Å; L50-Y158 HydrophobicContact CD1-CE1 4.13Å; L50-Y158 HydrophobicContact CD1-CG 3.96Å; L50-Y158 HydrophobicContact CD2-CD1 4.06Å; L50-Y158 HydrophobicContact CD2-CE1 3.48Å; L50-Y158 VanDerWaalsContact CD2-CE1 3.48Å; L50-Y158 HydrophobicContact CD2-CE2 4.47Å; L50-Y158 HydrophobicContact CG-CD1 3.78Å; L50-Y158 HydrophobicContact CG-CE1 3.73Å; L50-Y158 HydrophobicContact CG-CG 4.41Å; L132-Y158 HydrophobicContact CB-CD2 3.84Å; L132-Y158 HydrophobicContact CB-CE2 3.54Å; N133-Y158 HydrophobicContact CB-CD2 4.5Å; N133-Y158 PolarHBondContact OD1-N 2.85Å; V136-Y158 HydrophobicContact CG2-CE2 4.12Å; L156-Y158 HydrophobicContact CB-CE2 4.21Å; L156-Y158 WeakPolarHBondContact CD1-OH 3.31Å |
| 159 | V | 90.3 | Very high | 93.3 | Very high | 133 Ų | 133 | 43.7 Ų | 43.7 | 81% | 0.806 | 22% | 0.217 | S | C | * | . | trans | -112.7 | 0 | -173.7 | -62.7 | 0 | 0 | 0 | 0 | 113.1 | H44 L45 P46 A47 | H44-V159 HydrophobicContact CB-CG2 4.26Å; L45-V159 PolarHBondContact O-N 2.88Å; P46-V159 CarbonylContact C-O 3.56Å; P46-V159 VanDerWaalsContact CA-O 3.31Å; P46-V159 WeakPolarHBondContact CA-O 3.33Å; A47-V159 PolarHBondContact N-O 3.44Å |
Retrieved 159 of 159 residues in 215.6 ms
(Link to these results)