| 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 | 53.3 | Low | 77.4 | Confident | 203 Ų | 203 | 71.1 Ų | 71.1 | 100% | 1 | 45% | 0.446 | S | S | * | . | 0 | 133.1 | 0 | -80.2 | -174.9 | -142.7 | 0 | 0 | 108.4 | L6 | M1-L6 HydrophobicContact SD-CD2 4.06Š| |||
| 2 | T | 62.2 | Low | 78.7 | Confident | 99 Ų | 99 | 83 Ų | 83 | 61% | 0.607 | 48% | 0.476 | S | S | * | . | trans | -74.1 | 151.3 | 173.8 | 52.3 | 0 | 0 | 0 | 0 | 110.2 | A4 A5 | T2-A4 PolarHBondContact O-N 3.39Å; T2-A5 PolarHBondContact O-N 3.03Å | ||
| 3 | T | 66.5 | Low | 79.9 | Confident | 69 Ų | 69 | 80.7 Ų | 80.7 | 42% | 0.423 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.4 | -36.3 | 177.9 | -53.1 | 0 | 0 | 0 | 0 | 112 | A5 L6 T7 A29 | T3-A5 PolarHBondContact O-N 3.09Å; T3-L6 WeakPolarHBondContact O-CB 3.4Å; T3-L6 PolarHBondContact O-N 3.22Å; T3-L6 VanDerWaalsContact O-N 3.09Å; T3-T7 HydrophobicContact CG2-CG2 4.49Å; T3-T7 PolarHBondContact O-N 3.32Å; T3-T7 VanDerWaalsContact O-N 3.16Å; T3-T7 PolarHBondContact O-OG1 2.82Å; T3-A29 HydrophobicContact CG2-CB 4Å |
| 4 | A | 66.4 | Low | 80.8 | Confident | 71 Ų | 71 | 81.4 Ų | 81.4 | 59% | 0.587 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.6 | -37.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T2 L6 T7 A8 | T2-A4 PolarHBondContact O-N 3.39Å; A4-L6 VanDerWaalsContact C-N 3.28Å; A4-L6 PolarHBondContact O-N 3.22Å; A4-T7 PolarHBondContact O-OG1 3.3Å; A4-A8 PolarHBondContact O-N 3.07Å |
| 5 | A | 73.8 | Confident | 81.7 | Confident | 63 Ų | 63 | 79 Ų | 79 | 52% | 0.521 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.5 | -27.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T2 T3 | T2-A5 PolarHBondContact O-N 3.03Å; T3-A5 PolarHBondContact O-N 3.09Å |
| 6 | L | 77.8 | Confident | 82.6 | Confident | 39 Ų | 39 | 76.9 Ų | 76.9 | 20% | 0.204 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -75.8 | -37.7 | 178 | -67.4 | 167.3 | 0 | 0 | 0 | 111.6 | M1 T3 A4 K84 F86 | M1-L6 HydrophobicContact SD-CD2 4.06Å; T3-L6 WeakPolarHBondContact O-CB 3.4Å; T3-L6 PolarHBondContact O-N 3.22Å; T3-L6 VanDerWaalsContact O-N 3.09Å; A4-L6 VanDerWaalsContact C-N 3.28Å; A4-L6 PolarHBondContact O-N 3.22Å; L6-K84 HydrophobicContact CD1-CD 4.42Å; L6-F86 HydrophobicContact CD2-CE1 4.49Å; L6-F86 HydrophobicContact CD2-CZ 4.33Å |
| 7 | T | 86 | Confident | 83.5 | Confident | 17 Ų | 17 | 74.2 Ų | 74.2 | 10% | 0.104 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -78.2 | -32.1 | -178 | 55 | 0 | 0 | 0 | 0 | 113.1 | T3 A4 G9 L10 E11 Y19 A29 | T3-T7 HydrophobicContact CG2-CG2 4.49Å; T3-T7 PolarHBondContact O-N 3.32Å; T3-T7 VanDerWaalsContact O-N 3.16Å; T3-T7 PolarHBondContact O-OG1 2.82Å; A4-T7 PolarHBondContact O-OG1 3.3Å; T7-G9 PolarHBondContact O-N 3.06Å; T7-G9 VanDerWaalsContact O-N 3.12Å; T7-L10 WeakPolarHBondContact O-CB 3.18Å; T7-L10 PolarHBondContact O-N 3.22Å; T7-E11 PolarHBondContact O-N 2.8Å; T7-Y19 WeakPolarHBondContact CB-OH 3.45Å; T7-Y19 HydrophobicContact CG2-CE2 3.82Å; T7-A29 HydrophobicContact CG2-CB 3.66Å |
| 8 | A | 86.5 | Confident | 84.3 | Confident | 46 Ų | 46 | 70.1 Ų | 70.1 | 38% | 0.38 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.2 | -28.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A4 R12 | A4-A8 PolarHBondContact O-N 3.07Å; A8-R12 WeakPolarHBondContact O-CD 3.33Å; A8-R12 WeakPolarHBondContact O-CG 3.4Å |
| 9 | G | 91.4 | Very high | 85 | Confident | 44 Ų | 44 | 67.1 Ų | 67.1 | 45% | 0.454 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -73.3 | -32.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T7 | T7-G9 PolarHBondContact O-N 3.06Å; T7-G9 VanDerWaalsContact O-N 3.12Å |
| 10 | L | 94.3 | Very high | 85.6 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 9% | 0.094 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -75.1 | -38.3 | -177 | -56 | 177.6 | 0 | 0 | 0 | 111.7 | T7 R12 I13 Y19 V21 F86 V88 | T7-L10 WeakPolarHBondContact O-CB 3.18Å; T7-L10 PolarHBondContact O-N 3.22Å; L10-R12 PolarHBondContact O-N 2.97Å; L10-I13 HydrophobicContact CD2-CD1 4.12Å; L10-I13 WeakPolarHBondContact O-CB 3.36Å; L10-I13 WeakPolarHBondContact O-CG1 3.48Å; L10-I13 PolarHBondContact O-N 3.12Å; L10-Y19 HydrophobicContact CB-CD1 3.77Å; L10-Y19 HydrophobicContact CB-CE1 4.21Å; L10-Y19 HydrophobicContact CB-CG 4.01Å; L10-Y19 HydrophobicContact CD1-CD1 4.37Å; L10-Y19 HydrophobicContact CD1-CD2 3.72Å; L10-Y19 HydrophobicContact CD1-CE2 4.27Å; L10-Y19 HydrophobicContact CD1-CG 3.81Å; L10-V21 HydrophobicContact CD1-CG2 3.72Å; L10-F86 HydrophobicContact CD1-CD1 4.22Å; L10-F86 HydrophobicContact CD2-CD1 4.33Å; L10-V88 HydrophobicContact CD2-CG2 3.98Å |
| 11 | E | 92.9 | Very high | 86.2 | Confident | 113 Ų | 113 | 60.9 Ų | 60.9 | 53% | 0.528 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.5 | 176.2 | -67.6 | 173.6 | -167.2 | 0 | 0 | 113.1 | T7 I13 Y19 | T7-E11 PolarHBondContact O-N 2.8Å; E11-I13 VanDerWaalsContact C-N 3.34Å; E11-Y19 HydrophobicContact CG-CE1 3.79Å |
| 12 | R | 93.9 | Very high | 88.2 | Confident | 214 Ų | 214 | 51.5 Ų | 51.5 | 81% | 0.808 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 0.9 | -179.5 | -67.5 | 176.7 | 64.4 | -176.9 | 0.2 | 113.3 | A8 L10 | A8-R12 WeakPolarHBondContact O-CD 3.33Å; A8-R12 WeakPolarHBondContact O-CG 3.4Å; L10-R12 PolarHBondContact O-N 2.97Å |
| 13 | I | 93.8 | Very high | 89.8 | Confident | 53 Ų | 53 | 47.6 Ų | 47.6 | 27% | 0.272 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -75.2 | 127.8 | -179.5 | -66.2 | 172.3 | 0 | 0 | 0 | 108.9 | L10 E11 Q16 V88 R90 | L10-I13 HydrophobicContact CD2-CD1 4.12Å; L10-I13 WeakPolarHBondContact O-CB 3.36Å; L10-I13 WeakPolarHBondContact O-CG1 3.48Å; L10-I13 PolarHBondContact O-N 3.12Å; E11-I13 VanDerWaalsContact C-N 3.34Å; I13-Q16 HydrophobicContact CB-CB 4.04Å; I13-Q16 HydrophobicContact CG2-CB 4.28Å; I13-Q16 WeakPolarHBondContact O-CB 3.49Å; I13-Q16 PolarHBondContact O-N 3.4Å; I13-V88 HydrophobicContact CD1-CB 4.49Å; I13-V88 HydrophobicContact CD1-CG1 4.15Å; I13-V88 HydrophobicContact CD1-CG2 3.79Å; I13-V88 HydrophobicContact CG2-CG1 4.4Å; I13-R90 HydrophobicContact CG2-CG 4.35Å |
| 14 | P | 93.3 | Very high | 90.8 | Very high | 90 Ų | 90 | 51.6 Ų | 51.6 | 58% | 0.584 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 142.1 | 176.1 | -25 | 34.3 | 0 | 0 | 0 | 112.6 | Q16 R90 | P14-Q16 PolarHBondContact O-N 2.95Å; P14-Q16 VanDerWaalsContact O-N 3.14Å; P14-R90 PolarHBondContact O-NE 3.35Å; P14-R90 PolarHBondContact O-NH2 2.76Å; P14-R90 VanDerWaalsContact O-NH2 3.09Å |
| 15 | D | 94 | Very high | 92 | Very high | 46 Ų | 46 | 55.9 Ų | 55.9 | 25% | 0.246 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 13.2 | -179.9 | -44.8 | -55.4 | 0 | 0 | 0 | 114.4 | R90 Q91 N93 H95 | D15-R90 CarbonylContact O-C 3.55Å; D15-R90 WeakPolarHBondContact O-CA 3.43Å; D15-R90 IonicContact OD2-NH2 3.25Å; D15-R90 PolarHBondContact OD2-NH2 3.22Å; D15-Q91 HydrophobicContact CB-CB 4.32Å; D15-Q91 PolarHBondContact O-N 3.25Å; D15-N93 PolarHBondContact OD1-ND2 3.47Å; D15-H95 IonicContact OD2-CE1 3.8Å; D15-H95 IonicContact OD2-NE2 3.02Å; D15-H95 PolarHBondContact OD2-NE2 3.37Å |
| 16 | Q | 95.6 | Very high | 92.8 | Very high | 45 Ų | 45 | 54.3 Ų | 54.3 | 21% | 0.21 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 131 | 177.3 | 175.6 | -89.8 | -36.8 | 0 | 0 | 110.7 | I13 P14 G18 V88 | I13-Q16 HydrophobicContact CB-CB 4.04Å; I13-Q16 HydrophobicContact CG2-CB 4.28Å; I13-Q16 WeakPolarHBondContact O-CB 3.49Å; I13-Q16 PolarHBondContact O-N 3.4Å; P14-Q16 PolarHBondContact O-N 2.95Å; P14-Q16 VanDerWaalsContact O-N 3.14Å; Q16-G18 VanDerWaalsContact NE2-CA 3.28Å; Q16-V88 HydrophobicContact CB-CG1 4.08Å; Q16-V88 HydrophobicContact CG-CG1 3.6Å |
| 17 | V | 97.4 | Very high | 93.6 | Very high | 32 Ų | 32 | 54.9 Ų | 54.9 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | -13.8 | 178 | -64.7 | 0 | 0 | 0 | 0 | 113 | G32 E33 K89 Q91 | V17-G32 WeakPolarHBondContact O-CA 3.42Å; V17-E33 HydrophobicContact CB-CG 4.42Å; V17-E33 PolarHBondContact O-N 2.9Å; V17-K89 HydrophobicContact CG2-CB 3.99Å; V17-K89 HydrophobicContact CG2-CD 3.85Å; V17-K89 HydrophobicContact CG2-CG 3.67Å; V17-K89 WeakPolarHBondContact CG2-O 3.43Å; V17-K89 PolarHBondContact N-O 3.14Å; V17-Q91 HydrophobicContact CG1-CG 3.69Å |
| 18 | G | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.8 | 160.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q16 A31 K89 | Q16-G18 VanDerWaalsContact NE2-CA 3.28Å; G18-A31 CarbonylContact C-O 3.59Å; G18-A31 WeakPolarHBondContact CA-O 3.36Å; G18-K89 PolarHBondContact N-O 3.11Å; G18-K89 PolarHBondContact O-N 3.45Å |
| 19 | Y | 98.3 | Very high | 94.5 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 5% | 0.051 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 158.3 | 173.2 | 66.4 | -107.7 | 0 | 0 | 0 | 112.6 | T7 L10 E11 V21 A29 S30 A31 V87 | T7-Y19 WeakPolarHBondContact CB-OH 3.45Å; T7-Y19 HydrophobicContact CG2-CE2 3.82Å; L10-Y19 HydrophobicContact CB-CD1 3.77Å; L10-Y19 HydrophobicContact CB-CE1 4.21Å; L10-Y19 HydrophobicContact CB-CG 4.01Å; L10-Y19 HydrophobicContact CD1-CD1 4.37Å; L10-Y19 HydrophobicContact CD1-CD2 3.72Å; L10-Y19 HydrophobicContact CD1-CE2 4.27Å; L10-Y19 HydrophobicContact CD1-CG 3.81Å; E11-Y19 HydrophobicContact CG-CE1 3.79Å; Y19-V21 HydrophobicContact CD2-CG2 4.49Å; Y19-A29 HydrophobicContact CE2-CB 4.34Å; Y19-S30 VanDerWaalsContact O-CA 3.3Å; Y19-S30 WeakPolarHBondContact O-CA 3.38Å; Y19-A31 HydrophobicContact CD1-CB 4.04Å; Y19-A31 HydrophobicContact CD2-CB 4.48Å; Y19-A31 HydrophobicContact CE1-CB 3.46Å; Y19-A31 VanDerWaalsContact CE1-CB 3.46Å; Y19-A31 HydrophobicContact CE2-CB 3.93Å; Y19-A31 PolarHBondContact N-O 3.18Å; Y19-A31 PolarHBondContact O-N 3.32Å; Y19-A31 VanDerWaalsContact O-N 3.14Å; Y19-A31 WeakPolarHBondContact OH-CB 3.4Å; Y19-V87 CarbonylContact C-O 3.59Å; Y19-V87 WeakPolarHBondContact CA-O 3.49Å; Y19-V87 VanDerWaalsContact CB-O 3.28Å; Y19-V87 WeakPolarHBondContact CB-O 3.3Å |
| 20 | L | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 140.9 | 168.6 | -62.2 | 161.9 | 0 | 0 | 0 | 109.6 | I22 V27 A29 L34 T40 A41 V87 | L20-I22 HydrophobicContact CB-CD1 4.21Å; L20-I22 HydrophobicContact CB-CG1 4.07Å; L20-V27 HydrophobicContact CD2-CG1 4.22Å; L20-A29 CarbonylContact C-O 3.59Å; L20-A29 WeakPolarHBondContact CA-O 3.43Å; L20-L34 HydrophobicContact CD1-CB 4.36Å; L20-L34 HydrophobicContact CD1-CD1 4.06Å; L20-L34 HydrophobicContact CD2-CB 4.14Å; L20-L34 WeakPolarHBondContact CD2-O 3.28Å; L20-L34 HydrophobicContact CG-CB 3.91Å; L20-L34 HydrophobicContact CG-CD1 3.96Å; L20-T40 HydrophobicContact CD1-CG2 4.08Å; L20-A41 HydrophobicContact CD1-CB 4.05Å; L20-V87 HydrophobicContact CB-CB 4.08Å; L20-V87 HydrophobicContact CB-CG2 4.4Å; L20-V87 PolarHBondContact N-O 3.04Å; L20-V87 PolarHBondContact O-N 3.05Å |
| 21 | V | 97.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.2 | 166.3 | -174.8 | 0 | 0 | 0 | 0 | 107.4 | L10 Y19 L28 A29 K84 V85 F86 | L10-V21 HydrophobicContact CD1-CG2 3.72Å; Y19-V21 HydrophobicContact CD2-CG2 4.49Å; V21-L28 HydrophobicContact CB-CB 4.45Å; V21-L28 HydrophobicContact CG1-CB 4.29Å; V21-L28 HydrophobicContact CG1-CD1 4.33Å; V21-L28 PolarHBondContact O-N 3.3Å; V21-A29 HydrophobicContact CB-CB 4.14Å; V21-A29 HydrophobicContact CG2-CB 4.17Å; V21-A29 PolarHBondContact N-O 3.06Å; V21-A29 PolarHBondContact O-N 3.45Å; V21-K84 HydrophobicContact CG1-CB 4.41Å; V21-K84 HydrophobicContact CG1-CD 4.28Å; V21-V85 WeakPolarHBondContact CA-O 3.47Å; V21-F86 HydrophobicContact CG1-CD1 4.29Å; V21-F86 HydrophobicContact CG1-CE1 3.99Å; V21-F86 HydrophobicContact CG1-CZ 4.41Å; V21-F86 HydrophobicContact CG2-CD1 4Å; V21-F86 HydrophobicContact CG2-CE1 4.16Å |
| 22 | I | 96.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 135.3 | -169.3 | -47.4 | 164.9 | 0 | 0 | 0 | 109.2 | L20 A41 M45 K84 V85 V87 | L20-I22 HydrophobicContact CB-CD1 4.21Å; L20-I22 HydrophobicContact CB-CG1 4.07Å; I22-A41 HydrophobicContact CD1-CB 3.7Å; I22-A41 HydrophobicContact CG1-CB 4.18Å; I22-M45 HydrophobicContact CB-CG 4.4Å; I22-M45 HydrophobicContact CB-SD 4.23Å; I22-M45 HydrophobicContact CD1-CG 4.13Å; I22-M45 HydrophobicContact CG2-CE 4.45Å; I22-M45 HydrophobicContact CG2-CG 3.64Å; I22-M45 HydrophobicContact CG2-SD 3.78Å; I22-K84 CarbonylContact O-C 3.52Å; I22-K84 VanDerWaalsContact O-CA 3.3Å; I22-K84 WeakPolarHBondContact O-CA 3.39Å; I22-V85 HydrophobicContact CB-CB 4.32Å; I22-V85 PolarHBondContact N-O 2.9Å; I22-V85 PolarHBondContact O-N 3.26Å; I22-V87 HydrophobicContact CD1-CG2 4.17Å |
| 23 | S | 94.1 | Very high | 95.3 | Very high | 17 Ų | 17 | 47.7 Ų | 47.7 | 12% | 0.119 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -175.4 | 167.4 | 64.8 | 0 | 0 | 0 | 0 | 110.7 | D25 G26 | S23-D25 PolarHBondContact O-N 2.88Å; S23-D25 PolarHBondContact OG-N 2.9Å; S23-G26 PolarHBondContact N-O 3.49Å; S23-G26 PolarHBondContact O-N 3.47Å; S23-G26 PolarHBondContact OG-O 3.22Å |
| 24 | E | 89.1 | Confident | 95.5 | Very high | 154 Ų | 154 | 45.2 Ų | 45.2 | 72% | 0.72 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -28.7 | 172.7 | -61.9 | -160.5 | 146.2 | 0 | 0 | 113.1 | ||
| 25 | D | 90.1 | Very high | 95.7 | Very high | 161 Ų | 161 | 47 Ų | 47 | 86% | 0.861 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -12.1 | -178.5 | -52.3 | -54.8 | 0 | 0 | 0 | 113.6 | S23 | S23-D25 PolarHBondContact O-N 2.88Å; S23-D25 PolarHBondContact OG-N 2.9Å |
| 26 | G | 91.1 | Very high | 95.7 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.9 | -158.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S23 L28 | S23-G26 PolarHBondContact N-O 3.49Å; S23-G26 PolarHBondContact O-N 3.47Å; S23-G26 PolarHBondContact OG-O 3.22Å; G26-L28 PolarHBondContact O-N 2.82Å |
| 27 | V | 95.6 | Very high | 95.8 | Very high | 51 Ų | 51 | 50.8 Ų | 50.8 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 119.6 | -179.9 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | L20 A41 | L20-V27 HydrophobicContact CD2-CG1 4.22Å; V27-A41 HydrophobicContact CG2-CB 3.63Å |
| 28 | L | 94.5 | Very high | 95.7 | Very high | 73 Ų | 73 | 56.4 Ų | 56.4 | 38% | 0.382 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -32.8 | 177.7 | -62.9 | -178.2 | 0 | 0 | 0 | 113 | V21 G26 K84 | V21-L28 HydrophobicContact CB-CB 4.45Å; V21-L28 HydrophobicContact CG1-CB 4.29Å; V21-L28 HydrophobicContact CG1-CD1 4.33Å; V21-L28 PolarHBondContact O-N 3.3Å; G26-L28 PolarHBondContact O-N 2.82Å; L28-K84 HydrophobicContact CD1-CD 3.9Å; L28-K84 HydrophobicContact CD1-CG 4.14Å |
| 29 | A | 96 | Very high | 95.6 | Very high | 16 Ų | 16 | 63.3 Ų | 63.3 | 13% | 0.132 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 146.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110 | T3 T7 Y19 L20 V21 | T3-A29 HydrophobicContact CG2-CB 4Å; T7-A29 HydrophobicContact CG2-CB 3.66Å; Y19-A29 HydrophobicContact CE2-CB 4.34Å; L20-A29 CarbonylContact C-O 3.59Å; L20-A29 WeakPolarHBondContact CA-O 3.43Å; V21-A29 HydrophobicContact CB-CB 4.14Å; V21-A29 HydrophobicContact CG2-CB 4.17Å; V21-A29 PolarHBondContact N-O 3.06Å; V21-A29 PolarHBondContact O-N 3.45Å |
| 30 | S | 96.6 | Very high | 95.6 | Very high | 27 Ų | 27 | 63.6 Ų | 63.6 | 19% | 0.189 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 155.4 | 174 | 66.2 | 0 | 0 | 0 | 0 | 109.9 | Y19 L34 N36 | Y19-S30 VanDerWaalsContact O-CA 3.3Å; Y19-S30 WeakPolarHBondContact O-CA 3.38Å; S30-L34 WeakPolarHBondContact CB-O 3.4Å; S30-N36 PolarHBondContact OG-N 2.91Å |
| 31 | A | 97.5 | Very high | 95.6 | Very high | 22 Ų | 22 | 63.9 Ų | 63.9 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 164.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G18 Y19 L34 | G18-A31 CarbonylContact C-O 3.59Å; G18-A31 WeakPolarHBondContact CA-O 3.36Å; Y19-A31 HydrophobicContact CD1-CB 4.04Å; Y19-A31 HydrophobicContact CD2-CB 4.48Å; Y19-A31 HydrophobicContact CE1-CB 3.46Å; Y19-A31 VanDerWaalsContact CE1-CB 3.46Å; Y19-A31 HydrophobicContact CE2-CB 3.93Å; Y19-A31 PolarHBondContact N-O 3.18Å; Y19-A31 PolarHBondContact O-N 3.32Å; Y19-A31 VanDerWaalsContact O-N 3.14Å; Y19-A31 WeakPolarHBondContact OH-CB 3.4Å; A31-L34 PolarHBondContact O-N 3.09Å |
| 32 | G | 97.1 | Very high | 95.6 | Very high | 46 Ų | 46 | 65.4 Ų | 65.4 | 47% | 0.474 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.6 | -139.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V17 L34 E35 | V17-G32 WeakPolarHBondContact O-CA 3.42Å; G32-L34 PolarHBondContact O-N 2.93Å; G32-E35 VanDerWaalsContact O-CB 3.3Å; G32-E35 WeakPolarHBondContact O-CB 3.38Å; G32-E35 PolarHBondContact O-N 3.4Å |
| 33 | E | 97.9 | Very high | 95.6 | Very high | 118 Ų | 118 | 67.4 Ų | 67.4 | 55% | 0.551 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -8.4 | -179.4 | -64.6 | -175.6 | 175.7 | 0 | 0 | 114.7 | V17 K89 | V17-E33 HydrophobicContact CB-CG 4.42Å; V17-E33 PolarHBondContact O-N 2.9Å; E33-K89 HydrophobicContact CB-CD 4.39Å; E33-K89 WeakPolarHBondContact OE2-CD 3.48Å; E33-K89 VanDerWaalsContact OE2-CE 3.25Å; E33-K89 WeakPolarHBondContact OE2-CE 3.47Å; E33-K89 IonicContact OE2-NZ 2.65Å; E33-K89 PolarHBondContact OE2-NZ 2.96Å |
| 34 | L | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 9.9 | 176.2 | -62.6 | -178.5 | 0 | 0 | 0 | 112.7 | L20 S30 A31 G32 N36 D37 T40 Y76 V87 K89 | L20-L34 HydrophobicContact CD1-CB 4.36Å; L20-L34 HydrophobicContact CD1-CD1 4.06Å; L20-L34 HydrophobicContact CD2-CB 4.14Å; L20-L34 WeakPolarHBondContact CD2-O 3.28Å; L20-L34 HydrophobicContact CG-CB 3.91Å; L20-L34 HydrophobicContact CG-CD1 3.96Å; S30-L34 WeakPolarHBondContact CB-O 3.4Å; A31-L34 PolarHBondContact O-N 3.09Å; G32-L34 PolarHBondContact O-N 2.93Å; L34-N36 PolarHBondContact O-N 2.93Å; L34-D37 PolarHBondContact O-N 2.9Å; L34-D37 VanDerWaalsContact O-N 3.17Å; L34-T40 HydrophobicContact CD2-CG2 4.03Å; L34-Y76 HydrophobicContact CD1-CE1 4.08Å; L34-Y76 HydrophobicContact CD2-CE1 4.06Å; L34-V87 HydrophobicContact CD1-CG1 4.37Å; L34-K89 HydrophobicContact CD1-CB 3.98Å; L34-K89 HydrophobicContact CD2-CD 4.49Å; L34-K89 HydrophobicContact CG-CB 4.33Å |
| 35 | E | 97.7 | Very high | 96.1 | Very high | 127 Ų | 127 | 61 Ų | 61 | 59% | 0.593 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 122 | 178.8 | -172.4 | 177 | -175.1 | 0 | 0 | 111 | G32 D37 | G32-E35 VanDerWaalsContact O-CB 3.3Å; G32-E35 WeakPolarHBondContact O-CB 3.38Å; G32-E35 PolarHBondContact O-N 3.4Å; E35-D37 PolarHBondContact O-N 2.84Å; E35-D37 VanDerWaalsContact O-N 3.11Å |
| 36 | N | 94.8 | Very high | 96.4 | Very high | 125 Ų | 125 | 59.6 Ų | 59.6 | 67% | 0.668 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 20.3 | -177.1 | -55 | -50 | 0 | 0 | 0 | 115.2 | S30 L34 E38 | S30-N36 PolarHBondContact OG-N 2.91Å; L34-N36 PolarHBondContact O-N 2.93Å; N36-E38 VanDerWaalsContact C-N 3.32Å; N36-E38 PolarHBondContact O-N 2.82Å |
| 37 | D | 97.1 | Very high | 96.7 | Very high | 46 Ų | 46 | 61.9 Ų | 61.9 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | trans | -82 | 77.3 | 176.8 | -171.5 | -7.5 | 0 | 0 | 0 | 111.4 | L34 E35 H39 T40 A41 | L34-D37 PolarHBondContact O-N 2.9Å; L34-D37 VanDerWaalsContact O-N 3.17Å; E35-D37 PolarHBondContact O-N 2.84Å; E35-D37 VanDerWaalsContact O-N 3.11Å; D37-H39 PolarHBondContact O-N 3.33Å; D37-H39 PolarHBondContact OD1-N 2.6Å; D37-T40 VanDerWaalsContact CG-CB 3.46Å; D37-T40 VanDerWaalsContact CG-OG1 3.22Å; D37-T40 PolarHBondContact OD1-N 3.34Å; D37-T40 PolarHBondContact OD1-OG1 3.45Å; D37-T40 WeakPolarHBondContact OD2-CB 3.26Å; D37-T40 PolarHBondContact OD2-OG1 3.29Å; D37-A41 PolarHBondContact O-N 3.37Å; D37-A41 VanDerWaalsContact O-N 3.14Å | ||
| 38 | E | 95.2 | Very high | 96.6 | Very high | 150 Ų | 150 | 59.7 Ų | 59.7 | 70% | 0.701 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65 | -26.8 | 177.5 | -64.7 | -171.6 | 161.2 | 0 | 0 | 112.8 | N36 A41 G42 | N36-E38 VanDerWaalsContact C-N 3.32Å; N36-E38 PolarHBondContact O-N 2.82Å; E38-A41 WeakPolarHBondContact O-CB 3.44Å; E38-A41 PolarHBondContact O-N 3.03Å; E38-G42 PolarHBondContact O-N 2.93Å |
| 39 | H | 96.7 | Very high | 96.6 | Very high | 145 Ų | 145 | 62.8 Ų | 62.8 | 67% | 0.671 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.5 | -52.1 | 178.5 | -180 | 69.5 | 0 | 0 | 0 | 110.5 | D37 A41 G42 V43 | D37-H39 PolarHBondContact O-N 3.33Å; D37-H39 PolarHBondContact OD1-N 2.6Å; H39-A41 VanDerWaalsContact C-N 3.26Å; H39-A41 PolarHBondContact O-N 3.13Å; H39-G42 PolarHBondContact O-N 3.37Å; H39-G42 VanDerWaalsContact O-N 3.13Å; H39-V43 WeakPolarHBondContact O-CG2 3.4Å; H39-V43 PolarHBondContact O-N 3.14Å |
| 40 | T | 97.3 | Very high | 96.5 | Very high | 19 Ų | 19 | 65.4 Ų | 65.4 | 12% | 0.117 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.2 | -38.8 | 175.2 | -65.7 | 0 | 0 | 0 | 0 | 111 | L20 L34 D37 G42 V43 M44 Y76 | L20-T40 HydrophobicContact CD1-CG2 4.08Å; L34-T40 HydrophobicContact CD2-CG2 4.03Å; D37-T40 VanDerWaalsContact CG-CB 3.46Å; D37-T40 VanDerWaalsContact CG-OG1 3.22Å; D37-T40 PolarHBondContact OD1-N 3.34Å; D37-T40 PolarHBondContact OD1-OG1 3.45Å; D37-T40 WeakPolarHBondContact OD2-CB 3.26Å; D37-T40 PolarHBondContact OD2-OG1 3.29Å; T40-G42 PolarHBondContact O-N 3.36Å; T40-V43 PolarHBondContact O-N 3.44Å; T40-M44 HydrophobicContact CG2-CE 4.29Å; T40-M44 HydrophobicContact CG2-CG 4.15Å; T40-M44 WeakPolarHBondContact O-CB 3.38Å; T40-M44 VanDerWaalsContact O-CG 3.23Å; T40-M44 WeakPolarHBondContact O-CG 3.24Å; T40-M44 PolarHBondContact O-N 2.92Å; T40-Y76 HydrophobicContact CG2-CE1 4.44Å |
| 41 | A | 97.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 65.3 Ų | 65.3 | 4% | 0.041 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.9 | -46 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L20 I22 V27 D37 E38 H39 M44 M45 | L20-A41 HydrophobicContact CD1-CB 4.05Å; I22-A41 HydrophobicContact CD1-CB 3.7Å; I22-A41 HydrophobicContact CG1-CB 4.18Å; V27-A41 HydrophobicContact CG2-CB 3.63Å; D37-A41 PolarHBondContact O-N 3.37Å; D37-A41 VanDerWaalsContact O-N 3.14Å; E38-A41 WeakPolarHBondContact O-CB 3.44Å; E38-A41 PolarHBondContact O-N 3.03Å; H39-A41 VanDerWaalsContact C-N 3.26Å; H39-A41 PolarHBondContact O-N 3.13Å; A41-M44 PolarHBondContact O-N 3.02Å; A41-M45 WeakPolarHBondContact O-CB 3.41Å; A41-M45 WeakPolarHBondContact O-CG 3.49Å; A41-M45 PolarHBondContact O-N 3.11Å |
| 42 | G | 97.3 | Very high | 95.9 | Very high | 35 Ų | 35 | 66 Ų | 66 | 36% | 0.361 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | E38 H39 T40 M45 Q46 | E38-G42 PolarHBondContact O-N 2.93Å; H39-G42 PolarHBondContact O-N 3.37Å; H39-G42 VanDerWaalsContact O-N 3.13Å; T40-G42 PolarHBondContact O-N 3.36Å; G42-M45 PolarHBondContact O-N 3.42Å; G42-Q46 WeakPolarHBondContact O-CG 3.36Å; G42-Q46 PolarHBondContact O-N 3.19Å |
| 43 | V | 97.7 | Very high | 95.5 | Very high | 49 Ų | 49 | 73.6 Ų | 73.6 | 30% | 0.297 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.4 | -47 | 177.6 | 174.5 | 0 | 0 | 0 | 0 | 111 | H39 T40 M45 Q46 M47 | H39-V43 WeakPolarHBondContact O-CG2 3.4Å; H39-V43 PolarHBondContact O-N 3.14Å; T40-V43 PolarHBondContact O-N 3.44Å; V43-M45 VanDerWaalsContact C-N 3.33Å; V43-M45 PolarHBondContact O-N 2.92Å; V43-Q46 PolarHBondContact O-N 2.99Å; V43-M47 HydrophobicContact CG1-CE 3.85Å; V43-M47 HydrophobicContact CG1-SD 4.31Å; V43-M47 WeakPolarHBondContact O-CG 3.46Å; V43-M47 PolarHBondContact O-N 3.22Å |
| 44 | M | 97.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 75.2 Ų | 75.2 | 3% | 0.03 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 179.2 | -70.5 | -65.5 | 163.4 | 0 | 0 | 112 | T40 A41 M47 V48 Y76 V78 V87 | T40-M44 HydrophobicContact CG2-CE 4.29Å; T40-M44 HydrophobicContact CG2-CG 4.15Å; T40-M44 WeakPolarHBondContact O-CB 3.38Å; T40-M44 VanDerWaalsContact O-CG 3.23Å; T40-M44 WeakPolarHBondContact O-CG 3.24Å; T40-M44 PolarHBondContact O-N 2.92Å; A41-M44 PolarHBondContact O-N 3.02Å; M44-M47 PolarHBondContact O-N 2.83Å; M44-M47 HydrophobicContact SD-SD 4.38Å; M44-V48 WeakPolarHBondContact O-CB 3.48Å; M44-V48 WeakPolarHBondContact O-CG2 3.23Å; M44-V48 PolarHBondContact O-N 2.86Å; M44-Y76 HydrophobicContact CE-CD1 3.96Å; M44-Y76 HydrophobicContact CE-CD2 3.27Å; M44-Y76 HydrophobicContact CE-CE1 4.4Å; M44-Y76 HydrophobicContact CE-CE2 3.72Å; M44-Y76 HydrophobicContact CE-CG 3.38Å; M44-V78 HydrophobicContact SD-CG2 3.87Å; M44-V87 HydrophobicContact CB-CG2 4Å; M44-V87 HydrophobicContact CG-CG1 4.2Å; M44-V87 HydrophobicContact CG-CG2 4.07Å; M44-V87 HydrophobicContact SD-CG1 4.41Å |
| 45 | M | 95.9 | Very high | 94 | Very high | 29 Ų | 29 | 82 Ų | 82 | 14% | 0.143 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 174.9 | -79.1 | -65.1 | -75.2 | 0 | 0 | 112.5 | I22 A41 G42 V43 V48 R49 V85 | I22-M45 HydrophobicContact CB-CG 4.4Å; I22-M45 HydrophobicContact CB-SD 4.23Å; I22-M45 HydrophobicContact CD1-CG 4.13Å; I22-M45 HydrophobicContact CG2-CE 4.45Å; I22-M45 HydrophobicContact CG2-CG 3.64Å; I22-M45 HydrophobicContact CG2-SD 3.78Å; A41-M45 WeakPolarHBondContact O-CB 3.41Å; A41-M45 WeakPolarHBondContact O-CG 3.49Å; A41-M45 PolarHBondContact O-N 3.11Å; G42-M45 PolarHBondContact O-N 3.42Å; V43-M45 VanDerWaalsContact C-N 3.33Å; V43-M45 PolarHBondContact O-N 2.92Å; M45-V48 PolarHBondContact O-N 2.91Å; M45-R49 WeakPolarHBondContact O-CB 3.33Å; M45-R49 VanDerWaalsContact O-CG 3.28Å; M45-R49 WeakPolarHBondContact O-CG 3.36Å; M45-R49 PolarHBondContact O-N 3.07Å; M45-V85 HydrophobicContact SD-CB 3.98Å; M45-V85 HydrophobicContact SD-CG2 3.52Å; M45-V85 VanDerWaalsContact SD-CG2 3.52Å |
| 46 | Q | 96.3 | Very high | 93.1 | Very high | 133 Ų | 133 | 82.7 Ų | 82.7 | 62% | 0.621 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.4 | -43.3 | 176 | -73.6 | -179.6 | -13.6 | 0 | 0 | 111.9 | G42 V43 R49 T50 | G42-Q46 WeakPolarHBondContact O-CG 3.36Å; G42-Q46 PolarHBondContact O-N 3.19Å; V43-Q46 PolarHBondContact O-N 2.99Å; Q46-R49 PolarHBondContact O-N 2.76Å; Q46-T50 WeakPolarHBondContact O-CB 3.25Å; Q46-T50 PolarHBondContact O-N 2.89Å; Q46-T50 PolarHBondContact O-OG1 2.87Å |
| 47 | M | 96.4 | Very high | 92.4 | Very high | 76 Ų | 76 | 83 Ų | 83 | 37% | 0.374 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 175.2 | -71.6 | -178.3 | 172.7 | 0 | 0 | 111.3 | V43 M44 R49 T50 A51 M67 V69 | V43-M47 HydrophobicContact CG1-CE 3.85Å; V43-M47 HydrophobicContact CG1-SD 4.31Å; V43-M47 WeakPolarHBondContact O-CG 3.46Å; V43-M47 PolarHBondContact O-N 3.22Å; M44-M47 PolarHBondContact O-N 2.83Å; M44-M47 HydrophobicContact SD-SD 4.38Å; M47-R49 PolarHBondContact O-N 3.06Å; M47-T50 PolarHBondContact O-N 3.47Å; M47-A51 WeakPolarHBondContact O-CB 3.28Å; M47-A51 PolarHBondContact O-N 2.84Å; M47-M67 HydrophobicContact CB-CE 3.8Å; M47-M67 HydrophobicContact CB-SD 4.23Å; M47-V69 HydrophobicContact SD-CG2 4.06Å |
| 48 | V | 94.6 | Very high | 91.5 | Very high | 6 Ų | 6 | 84.8 Ų | 84.8 | 4% | 0.036 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 177.9 | 165.9 | 0 | 0 | 0 | 0 | 111.6 | M44 M45 T50 A51 C52 F64 M67 V78 I80 V85 | M44-V48 WeakPolarHBondContact O-CB 3.48Å; M44-V48 WeakPolarHBondContact O-CG2 3.23Å; M44-V48 PolarHBondContact O-N 2.86Å; M45-V48 PolarHBondContact O-N 2.91Å; V48-T50 PolarHBondContact O-N 2.65Å; V48-A51 PolarHBondContact O-N 2.87Å; V48-C52 WeakPolarHBondContact O-CB 3.19Å; V48-C52 PolarHBondContact O-N 2.82Å; V48-C52 PolarHBondContact O-SG 2.84Å; V48-F64 HydrophobicContact CG1-CZ 4.44Å; V48-M67 HydrophobicContact CG2-CE 3.75Å; V48-V78 HydrophobicContact CG2-CG1 3.59Å; V48-I80 HydrophobicContact CG1-CD1 3.41Å; V48-I80 VanDerWaalsContact CG1-CD1 3.41Å; V48-I80 HydrophobicContact CG1-CG1 3.89Å; V48-V85 HydrophobicContact CG1-CG2 4.16Å; V48-V85 HydrophobicContact CG2-CG1 4.03Å |
| 49 | R | 93.3 | Very high | 90.7 | Very high | 138 Ų | 138 | 79.8 Ų | 79.8 | 52% | 0.521 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 178.2 | -76.4 | 174.4 | 175.4 | 179.7 | 0.3 | 111.8 | M45 Q46 M47 R53 | M45-R49 WeakPolarHBondContact O-CB 3.33Å; M45-R49 VanDerWaalsContact O-CG 3.28Å; M45-R49 WeakPolarHBondContact O-CG 3.36Å; M45-R49 PolarHBondContact O-N 3.07Å; Q46-R49 PolarHBondContact O-N 2.76Å; M47-R49 PolarHBondContact O-N 3.06Å; R49-R53 WeakPolarHBondContact O-CG 3.19Å |
| 50 | T | 94.1 | Very high | 89.7 | Confident | 70 Ų | 70 | 79.4 Ų | 79.4 | 43% | 0.429 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.9 | -49.3 | 178.4 | -59.1 | 0 | 0 | 0 | 0 | 110.7 | Q46 M47 V48 C52 R53 F54 | Q46-T50 WeakPolarHBondContact O-CB 3.25Å; Q46-T50 PolarHBondContact O-N 2.89Å; Q46-T50 PolarHBondContact O-OG1 2.87Å; M47-T50 PolarHBondContact O-N 3.47Å; V48-T50 PolarHBondContact O-N 2.65Å; T50-C52 VanDerWaalsContact C-N 3.26Å; T50-C52 PolarHBondContact O-N 2.87Å; T50-R53 WeakPolarHBondContact O-CB 3.5Å; T50-R53 PolarHBondContact O-N 2.97Å; T50-F54 HydrophobicContact CG2-CE2 3.97Å; T50-F54 WeakPolarHBondContact O-CD2 3.45Å; T50-F54 WeakPolarHBondContact O-CE2 3.21Å |
| 51 | A | 92.5 | Very high | 88.8 | Confident | 25 Ų | 25 | 84.2 Ų | 84.2 | 21% | 0.207 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -56.4 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | M47 V48 R53 F54 F64 M67 | M47-A51 WeakPolarHBondContact O-CB 3.28Å; M47-A51 PolarHBondContact O-N 2.84Å; V48-A51 PolarHBondContact O-N 2.87Å; A51-R53 PolarHBondContact O-N 2.91Å; A51-F54 PolarHBondContact O-N 2.84Å; A51-F64 HydrophobicContact CB-CD1 4.15Å; A51-F64 HydrophobicContact CB-CE1 3.47Å; A51-F64 VanDerWaalsContact CB-CE1 3.47Å; A51-F64 HydrophobicContact CB-CZ 4.1Å; A51-M67 HydrophobicContact CB-SD 4.19Å |
| 52 | C | 89.4 | Confident | 87.9 | Confident | 37 Ų | 37 | 87.3 Ų | 87.3 | 25% | 0.25 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -19.1 | 179 | -76.9 | 0 | 0 | 0 | 0 | 114.8 | V48 T50 F54 P63 I80 | V48-C52 WeakPolarHBondContact O-CB 3.19Å; V48-C52 PolarHBondContact O-N 2.82Å; V48-C52 PolarHBondContact O-SG 2.84Å; T50-C52 VanDerWaalsContact C-N 3.26Å; T50-C52 PolarHBondContact O-N 2.87Å; C52-F54 VanDerWaalsContact C-N 3.3Å; C52-P63 HydrophobicContact CB-CG 4.22Å; C52-I80 VanDerWaalsContact SG-CD1 3.57Å |
| 53 | R | 88.9 | Confident | 87.3 | Confident | 206 Ų | 206 | 87.5 Ų | 87.5 | 78% | 0.777 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -21.4 | 174 | -66.9 | 173.4 | -179.6 | 177.5 | -0.9 | 112.2 | R49 T50 A51 R55 | R49-R53 WeakPolarHBondContact O-CG 3.19Å; T50-R53 WeakPolarHBondContact O-CB 3.5Å; T50-R53 PolarHBondContact O-N 2.97Å; A51-R53 PolarHBondContact O-N 2.91Å; R53-R55 PolarHBondContact O-N 2.99Å |
| 54 | F | 84.7 | Confident | 87 | Confident | 152 Ų | 152 | 87.3 Ų | 87.3 | 67% | 0.667 | 47% | 0.474 | S | S | * | . | trans | -84.4 | 96.1 | 176 | -62 | -81.5 | 0 | 0 | 0 | 109.2 | T50 A51 C52 P63 | T50-F54 HydrophobicContact CG2-CE2 3.97Å; T50-F54 WeakPolarHBondContact O-CD2 3.45Å; T50-F54 WeakPolarHBondContact O-CE2 3.21Å; A51-F54 PolarHBondContact O-N 2.84Å; C52-F54 VanDerWaalsContact C-N 3.3Å; F54-P63 WeakPolarHBondContact O-CB 3.16Å | ||
| 55 | R | 79.8 | Confident | 86.7 | Confident | 142 Ų | 142 | 96.3 Ų | 96.3 | 54% | 0.536 | 51% | 0.513 | S | S | . | . | trans | -104.8 | 132.3 | 168.7 | -66.1 | -166.4 | 179.6 | -102.7 | 3.8 | 109.2 | R53 S57 D61 P63 | R53-R55 PolarHBondContact O-N 2.99Å; R55-S57 PolarHBondContact O-N 3.48Å; R55-D61 PolarHBondContact NH1-O 3.46Å; R55-P63 HydrophobicContact CG-CB 4.45Å | ||
| 56 | L | 78 | Confident | 86.7 | Confident | 143 Ų | 143 | 102.9 Ų | 102.9 | 75% | 0.749 | 54% | 0.536 | S | S | * | . | trans | -63.6 | 128.4 | 167.7 | -75.6 | 155.4 | 0 | 0 | 0 | 107.9 | G58 S59 | L56-G58 PolarHBondContact O-N 3.2Å; L56-S59 PolarHBondContact O-N 2.95Å; L56-S59 VanDerWaalsContact O-N 3.09Å; L56-S59 PolarHBondContact O-OG 3.27Å | ||
| 57 | S | 79.5 | Confident | 86.7 | Confident | 130 Ų | 130 | 98.1 Ų | 98.1 | 91% | 0.909 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 126.2 | -178.1 | -54.6 | 0 | 0 | 0 | 0 | 110.2 | R55 | R55-S57 PolarHBondContact O-N 3.48Š|
| 58 | G | 78.3 | Confident | 86.7 | Confident | 85 Ų | 85 | 97.2 Ų | 97.2 | 88% | 0.876 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | -3.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L56 | L56-G58 PolarHBondContact O-N 3.2Š|
| 59 | S | 78.8 | Confident | 86.9 | Confident | 45 Ų | 45 | 98.8 Ų | 98.8 | 32% | 0.315 | 53% | 0.525 | S | S | . | . | trans | -87.1 | 127.1 | 174.8 | 75 | 0 | 0 | 0 | 0 | 111.9 | L56 D61 | L56-S59 PolarHBondContact O-N 2.95Å; L56-S59 VanDerWaalsContact O-N 3.09Å; L56-S59 PolarHBondContact O-OG 3.27Å; S59-D61 VanDerWaalsContact C-N 3.34Å | ||
| 60 | T | 76.1 | Confident | 87 | Confident | 137 Ų | 137 | 98.2 Ų | 98.2 | 84% | 0.84 | 53% | 0.531 | S | S | * | . | trans | -84.1 | -12.1 | 169.1 | 50.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 61 | D | 78 | Confident | 87 | Confident | 119 Ų | 119 | 98.4 Ų | 98.4 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -73.4 | 167.4 | -174.9 | -70.9 | -20 | 0 | 0 | 0 | 113.1 | R55 S59 | R55-D61 PolarHBondContact NH1-O 3.46Å; S59-D61 VanDerWaalsContact C-N 3.34Å |
| 62 | A | 78.8 | Confident | 87 | Confident | 71 Ų | 71 | 105.4 Ų | 105.4 | 59% | 0.587 | 56% | 0.557 | S | S | * | * | trans | -56.1 | 140.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F64 | A62-F64 PolarHBondContact O-N 2.87Å; A62-F64 VanDerWaalsContact O-N 3.12Å | ||
| 63 | P | 84.8 | Confident | 87.2 | Confident | 39 Ų | 39 | 109.3 Ų | 109.3 | 25% | 0.253 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -61.3 | -26.9 | -175 | 22.6 | -30.8 | 0 | 0 | 0 | 112.6 | C52 F54 R55 | C52-P63 HydrophobicContact CB-CG 4.22Å; F54-P63 WeakPolarHBondContact O-CB 3.16Å; R55-P63 HydrophobicContact CG-CB 4.45Å |
| 64 | F | 91.3 | Very high | 87.5 | Confident | 45 Ų | 45 | 101.7 Ų | 101.7 | 20% | 0.197 | 55% | 0.548 | C | S | . | . | trans | -156.8 | 156 | 171.6 | 55.7 | -88.4 | 0 | 0 | 0 | 110.1 | V48 A51 A62 M67 I80 | V48-F64 HydrophobicContact CG1-CZ 4.44Å; A51-F64 HydrophobicContact CB-CD1 4.15Å; A51-F64 HydrophobicContact CB-CE1 3.47Å; A51-F64 VanDerWaalsContact CB-CE1 3.47Å; A51-F64 HydrophobicContact CB-CZ 4.1Å; A62-F64 PolarHBondContact O-N 2.87Å; A62-F64 VanDerWaalsContact O-N 3.12Å; F64-M67 HydrophobicContact CD2-CB 4.17Å; F64-M67 HydrophobicContact CE2-CB 3.95Å; F64-M67 HydrophobicContact CZ-CB 4.5Å; F64-I80 HydrophobicContact CE2-CD1 4.38Å; F64-I80 HydrophobicContact CE2-CG1 4.47Å; F64-I80 HydrophobicContact CZ-CD1 4.01Å | ||
| 65 | K | 92.3 | Very high | 88.1 | Confident | 194 Ų | 194 | 95.3 Ų | 95.3 | 84% | 0.843 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -86.4 | -32.1 | 168.5 | -68.1 | -177.7 | 179.8 | 177.1 | 0 | 112.3 | T79 | K65-T79 WeakPolarHBondContact O-CG2 3.37Å; K65-T79 PolarHBondContact O-OG1 3.42Å |
| 66 | R | 95.1 | Very high | 89 | Confident | 168 Ų | 168 | 89.8 Ų | 89.8 | 63% | 0.634 | 50% | 0.501 | S | S | * | . | trans | -153.2 | 134 | -175.4 | -169 | 169.7 | 74.2 | -172.5 | -2.2 | 110 | V77 V78 | R66-V77 VanDerWaalsContact CD-CG1 3.44Å; R66-V77 HydrophobicContact CG-CG1 3.71Å; R66-V78 CarbonylContact C-O 3.56Å; R66-V78 WeakPolarHBondContact CA-O 3.15Å | ||
| 67 | M | 96.3 | Very high | 89.9 | Confident | 32 Ų | 32 | 84.3 Ų | 84.3 | 16% | 0.158 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 136.2 | 169.6 | 179.1 | 179.6 | 75.1 | 0 | 0 | 107.8 | M47 V48 A51 F64 V78 | M47-M67 HydrophobicContact CB-CE 3.8Å; M47-M67 HydrophobicContact CB-SD 4.23Å; V48-M67 HydrophobicContact CG2-CE 3.75Å; A51-M67 HydrophobicContact CB-SD 4.19Å; F64-M67 HydrophobicContact CD2-CB 4.17Å; F64-M67 HydrophobicContact CE2-CB 3.95Å; F64-M67 HydrophobicContact CZ-CB 4.5Å; M67-V78 HydrophobicContact CB-CB 4.33Å; M67-V78 HydrophobicContact CE-CB 3.98Å; M67-V78 HydrophobicContact CE-CG1 4.16Å; M67-V78 HydrophobicContact CE-CG2 4.01Å; M67-V78 PolarHBondContact N-O 3.09Å; M67-V78 PolarHBondContact O-N 3.25Å |
| 68 | S | 97 | Very high | 90.8 | Very high | 57 Ų | 57 | 78.1 Ų | 78.1 | 40% | 0.399 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 128.4 | 177.2 | -57 | 0 | 0 | 0 | 0 | 109.8 | Y76 | S68-Y76 CarbonylContact C-O 3.51Å; S68-Y76 VanDerWaalsContact CA-O 3.26Å; S68-Y76 WeakPolarHBondContact CA-O 3.17Å |
| 69 | V | 97.3 | Very high | 91.7 | Very high | 40 Ų | 40 | 76.4 Ų | 76.4 | 24% | 0.242 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 104.7 | 171.7 | -173.4 | 0 | 0 | 0 | 0 | 106.5 | M47 L71 V75 Y76 | M47-V69 HydrophobicContact SD-CG2 4.06Å; V69-L71 HydrophobicContact CG1-CD1 3.95Å; V69-V75 WeakPolarHBondContact O-CA 3.16Å; V69-Y76 HydrophobicContact CB-CD2 4.37Å; V69-Y76 PolarHBondContact N-O 3.02Å; V69-Y76 PolarHBondContact O-N 3.25Å |
| 70 | I | 96.1 | Very high | 92.4 | Very high | 126 Ų | 126 | 77.6 Ų | 77.6 | 65% | 0.646 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 118.2 | -175.1 | -55.8 | 171.9 | 0 | 0 | 0 | 107.8 | V75 | I70-V75 HydrophobicContact CG1-CG2 3.96Å |
| 71 | L | 94.4 | Very high | 93.2 | Very high | 73 Ų | 73 | 74.7 Ų | 74.7 | 38% | 0.382 | 39% | 0.39 | S | S | . | . | trans | -112.4 | 176.6 | 170.3 | -59.5 | 102.6 | 0 | 0 | 0 | 109.2 | V69 F74 Y76 N92 | V69-L71 HydrophobicContact CG1-CD1 3.95Å; L71-F74 CarbonylContact C-O 3.5Å; L71-F74 WeakPolarHBondContact CA-O 3.3Å; L71-F74 HydrophobicContact CB-CE2 4.45Å; L71-F74 WeakPolarHBondContact CB-O 3.48Å; L71-F74 HydrophobicContact CD1-CD2 3.93Å; L71-F74 HydrophobicContact CD1-CE2 3.56Å; L71-F74 HydrophobicContact CD1-CZ 4.24Å; L71-F74 HydrophobicContact CD2-CE2 4.42Å; L71-F74 HydrophobicContact CD2-CZ 4.31Å; L71-F74 HydrophobicContact CG-CE2 4.36Å; L71-F74 PolarHBondContact N-O 3.21Å; L71-Y76 HydrophobicContact CD1-CD2 3.91Å; L71-Y76 HydrophobicContact CD1-CE2 4.11Å; L71-N92 PolarHBondContact O-ND2 2.89Å; L71-N92 VanDerWaalsContact O-ND2 3.09Å | ||
| 72 | E | 91.6 | Very high | 93.7 | Very high | 172 Ų | 172 | 72.1 Ų | 72.1 | 80% | 0.804 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -58.5 | -55.6 | -176.2 | -170.4 | 167.9 | -172.4 | 0 | 0 | 111.7 | N92 | E72-N92 PolarHBondContact O-ND2 3.37Š|
| 73 | D | 94 | Very high | 94.3 | Very high | 119 Ų | 119 | 76.8 Ų | 76.8 | 64% | 0.636 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -94.1 | -19.2 | -173.3 | -57.6 | -44.4 | 0 | 0 | 0 | 114.5 | N92 | D73-N92 VanDerWaalsContact C-CB 3.44Å; D73-N92 WeakPolarHBondContact O-CB 3.45Å; D73-N92 PolarHBondContact O-N 3.4Å |
| 74 | F | 95.9 | Very high | 94.7 | Very high | 47 Ų | 47 | 77.6 Ų | 77.6 | 21% | 0.206 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 160.3 | -175.3 | 58.9 | -91.5 | 0 | 0 | 0 | 112.8 | L71 Y76 K89 R90 | L71-F74 CarbonylContact C-O 3.5Å; L71-F74 WeakPolarHBondContact CA-O 3.3Å; L71-F74 HydrophobicContact CB-CE2 4.45Å; L71-F74 WeakPolarHBondContact CB-O 3.48Å; L71-F74 HydrophobicContact CD1-CD2 3.93Å; L71-F74 HydrophobicContact CD1-CE2 3.56Å; L71-F74 HydrophobicContact CD1-CZ 4.24Å; L71-F74 HydrophobicContact CD2-CE2 4.42Å; L71-F74 HydrophobicContact CD2-CZ 4.31Å; L71-F74 HydrophobicContact CG-CE2 4.36Å; L71-F74 PolarHBondContact N-O 3.21Å; F74-Y76 HydrophobicContact CD2-CD2 4.35Å; F74-Y76 HydrophobicContact CD2-CE2 4.02Å; F74-Y76 HydrophobicContact CE2-CD2 4.07Å; F74-Y76 HydrophobicContact CE2-CE1 4.4Å; F74-Y76 AromaticContact CE2-CE2 3.38Å; F74-Y76 HydrophobicContact CE2-CE2 3.38Å; F74-Y76 AromaticContact CE2-CZ 3.53Å; F74-Y76 HydrophobicContact CZ-CE2 4.42Å; F74-K89 HydrophobicContact CB-CG 4.22Å; F74-K89 HydrophobicContact CD2-CD 4.2Å; F74-K89 HydrophobicContact CD2-CG 3.96Å; F74-K89 HydrophobicContact CG-CD 4.43Å; F74-K89 HydrophobicContact CG-CG 4.26Å; F74-R90 CarbonylContact C-O 3.58Å; F74-R90 WeakPolarHBondContact CA-O 3.43Å; F74-R90 WeakPolarHBondContact CB-O 3.34Å |
| 75 | V | 97.3 | Very high | 95 | Very high | 18 Ų | 18 | 75.9 Ų | 75.9 | 11% | 0.109 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133 | 174.4 | 60.5 | 0 | 0 | 0 | 0 | 109.8 | V69 I70 V77 R90 | V69-V75 WeakPolarHBondContact O-CA 3.16Å; I70-V75 HydrophobicContact CG1-CG2 3.96Å; V75-V77 HydrophobicContact CG1-CG2 4.23Å; V75-V77 HydrophobicContact CG2-CG2 4.13Å; V75-R90 HydrophobicContact CG1-CB 3.91Å; V75-R90 PolarHBondContact N-O 3.33Å; V75-R90 PolarHBondContact O-N 2.81Å |
| 76 | Y | 98.1 | Very high | 95.2 | Very high | 26 Ų | 26 | 68 Ų | 68 | 10% | 0.102 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 124.8 | 163.3 | -65.4 | -67.9 | 0 | 0 | 0 | 109.6 | L34 T40 M44 S68 V69 L71 F74 V87 V88 K89 | L34-Y76 HydrophobicContact CD1-CE1 4.08Å; L34-Y76 HydrophobicContact CD2-CE1 4.06Å; T40-Y76 HydrophobicContact CG2-CE1 4.44Å; M44-Y76 HydrophobicContact CE-CD1 3.96Å; M44-Y76 HydrophobicContact CE-CD2 3.27Å; M44-Y76 HydrophobicContact CE-CE1 4.4Å; M44-Y76 HydrophobicContact CE-CE2 3.72Å; M44-Y76 HydrophobicContact CE-CG 3.38Å; S68-Y76 CarbonylContact C-O 3.51Å; S68-Y76 VanDerWaalsContact CA-O 3.26Å; S68-Y76 WeakPolarHBondContact CA-O 3.17Å; V69-Y76 HydrophobicContact CB-CD2 4.37Å; V69-Y76 PolarHBondContact N-O 3.02Å; V69-Y76 PolarHBondContact O-N 3.25Å; L71-Y76 HydrophobicContact CD1-CD2 3.91Å; L71-Y76 HydrophobicContact CD1-CE2 4.11Å; F74-Y76 HydrophobicContact CD2-CD2 4.35Å; F74-Y76 HydrophobicContact CD2-CE2 4.02Å; F74-Y76 HydrophobicContact CE2-CD2 4.07Å; F74-Y76 HydrophobicContact CE2-CE1 4.4Å; F74-Y76 AromaticContact CE2-CE2 3.38Å; F74-Y76 HydrophobicContact CE2-CE2 3.38Å; F74-Y76 AromaticContact CE2-CZ 3.53Å; F74-Y76 HydrophobicContact CZ-CE2 4.42Å; Y76-V87 HydrophobicContact CD1-CG1 4.03Å; Y76-V88 WeakPolarHBondContact CA-O 3.47Å; Y76-K89 HydrophobicContact CD1-CB 3.93Å; Y76-K89 HydrophobicContact CD1-CG 4.11Å; Y76-K89 HydrophobicContact CE1-CB 3.73Å; Y76-K89 HydrophobicContact CE1-CD 3.88Å; Y76-K89 HydrophobicContact CE1-CG 3.68Å |
| 77 | V | 97.7 | Very high | 95.4 | Very high | 27 Ų | 27 | 60 Ų | 60 | 16% | 0.164 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.8 | 175.9 | -175 | 0 | 0 | 0 | 0 | 108.5 | R66 V75 V87 V88 | R66-V77 VanDerWaalsContact CD-CG1 3.44Å; R66-V77 HydrophobicContact CG-CG1 3.71Å; V75-V77 HydrophobicContact CG1-CG2 4.23Å; V75-V77 HydrophobicContact CG2-CG2 4.13Å; V77-V87 WeakPolarHBondContact O-CA 3.44Å; V77-V88 PolarHBondContact N-O 3.17Å; V77-V88 PolarHBondContact O-N 3.21Å |
| 78 | V | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131 | -171.1 | -171.1 | 0 | 0 | 0 | 0 | 111.5 | M44 V48 R66 M67 V85 F86 V87 | M44-V78 HydrophobicContact SD-CG2 3.87Å; V48-V78 HydrophobicContact CG2-CG1 3.59Å; R66-V78 CarbonylContact C-O 3.56Å; R66-V78 WeakPolarHBondContact CA-O 3.15Å; M67-V78 HydrophobicContact CB-CB 4.33Å; M67-V78 HydrophobicContact CE-CB 3.98Å; M67-V78 HydrophobicContact CE-CG1 4.16Å; M67-V78 HydrophobicContact CE-CG2 4.01Å; M67-V78 PolarHBondContact N-O 3.09Å; M67-V78 PolarHBondContact O-N 3.25Å; V78-V85 HydrophobicContact CG1-CG1 3.58Å; V78-F86 CarbonylContact C-O 3.5Å; V78-F86 VanDerWaalsContact CA-O 3.24Å; V78-F86 WeakPolarHBondContact CA-O 3.39Å; V78-V87 HydrophobicContact CG1-CG2 4.18Å; V78-V87 HydrophobicContact CG2-CB 4.47Å; V78-V87 HydrophobicContact CG2-CG1 4.14Å; V78-V87 HydrophobicContact CG2-CG2 4.14Å |
| 79 | T | 96.1 | Very high | 95.5 | Very high | 49 Ų | 49 | 57.4 Ų | 57.4 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 149.6 | 176.7 | -64.8 | 0 | 0 | 0 | 0 | 110.7 | K65 F86 | K65-T79 WeakPolarHBondContact O-CG2 3.37Å; K65-T79 PolarHBondContact O-OG1 3.42Å; T79-F86 PolarHBondContact N-O 2.83Å; T79-F86 PolarHBondContact O-N 3.07Å |
| 80 | I | 94.4 | Very high | 95.5 | Very high | 71 Ų | 71 | 58.8 Ų | 58.8 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 128.9 | 174.9 | -45.5 | 173.7 | 0 | 0 | 0 | 108.9 | V48 C52 F64 K84 V85 | V48-I80 HydrophobicContact CG1-CD1 3.41Å; V48-I80 VanDerWaalsContact CG1-CD1 3.41Å; V48-I80 HydrophobicContact CG1-CG1 3.89Å; C52-I80 VanDerWaalsContact SG-CD1 3.57Å; F64-I80 HydrophobicContact CE2-CD1 4.38Å; F64-I80 HydrophobicContact CE2-CG1 4.47Å; F64-I80 HydrophobicContact CZ-CD1 4.01Å; I80-K84 WeakPolarHBondContact CA-O 3.39Å; I80-V85 HydrophobicContact CG1-CG2 4.41Å |
| 81 | S | 92.1 | Very high | 95.5 | Very high | 75 Ų | 75 | 57.3 Ų | 57.3 | 52% | 0.524 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 133.6 | 172.3 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | Q83 K84 | S81-Q83 VanDerWaalsContact C-N 3.3Å; S81-Q83 PolarHBondContact O-N 2.91Å; S81-K84 PolarHBondContact N-O 3.14Å; S81-K84 WeakPolarHBondContact O-CB 3.3Å; S81-K84 PolarHBondContact O-N 2.9Å |
| 82 | G | 89.9 | Confident | 95.2 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 68% | 0.68 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 42.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | K84 | G82-K84 PolarHBondContact O-N 3.41Š|
| 83 | Q | 89.9 | Confident | 94.7 | Very high | 169 Ų | 169 | 51.7 Ų | 51.7 | 79% | 0.79 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 14.8 | -176.5 | -55.7 | 175 | 80.4 | 0 | 0 | 114.9 | S81 | S81-Q83 VanDerWaalsContact C-N 3.3Å; S81-Q83 PolarHBondContact O-N 2.91Å |
| 84 | K | 94.5 | Very high | 93.4 | Very high | 55 Ų | 55 | 54.9 Ų | 54.9 | 24% | 0.239 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 142 | 174.7 | -62.2 | 173.5 | -174.5 | 176.4 | 0 | 110.2 | L6 V21 I22 L28 I80 S81 G82 F86 | L6-K84 HydrophobicContact CD1-CD 4.42Å; V21-K84 HydrophobicContact CG1-CB 4.41Å; V21-K84 HydrophobicContact CG1-CD 4.28Å; I22-K84 CarbonylContact O-C 3.52Å; I22-K84 VanDerWaalsContact O-CA 3.3Å; I22-K84 WeakPolarHBondContact O-CA 3.39Å; L28-K84 HydrophobicContact CD1-CD 3.9Å; L28-K84 HydrophobicContact CD1-CG 4.14Å; I80-K84 WeakPolarHBondContact CA-O 3.39Å; S81-K84 PolarHBondContact N-O 3.14Å; S81-K84 WeakPolarHBondContact O-CB 3.3Å; S81-K84 PolarHBondContact O-N 2.9Å; G82-K84 PolarHBondContact O-N 3.41Å; K84-F86 HydrophobicContact CB-CD2 4.39Å; K84-F86 HydrophobicContact CB-CE2 3.7Å; K84-F86 HydrophobicContact CB-CZ 4.05Å; K84-F86 HydrophobicContact CD-CZ 4.37Å |
| 85 | V | 96.4 | Very high | 91.8 | Very high | 9 Ų | 9 | 58.8 Ų | 58.8 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 124.8 | 170.8 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | V21 I22 M45 V48 V78 I80 V87 | V21-V85 WeakPolarHBondContact CA-O 3.47Å; I22-V85 HydrophobicContact CB-CB 4.32Å; I22-V85 PolarHBondContact N-O 2.9Å; I22-V85 PolarHBondContact O-N 3.26Å; M45-V85 HydrophobicContact SD-CB 3.98Å; M45-V85 HydrophobicContact SD-CG2 3.52Å; M45-V85 VanDerWaalsContact SD-CG2 3.52Å; V48-V85 HydrophobicContact CG1-CG2 4.16Å; V48-V85 HydrophobicContact CG2-CG1 4.03Å; V78-V85 HydrophobicContact CG1-CG1 3.58Å; I80-V85 HydrophobicContact CG1-CG2 4.41Å; V85-V87 HydrophobicContact CG1-CG2 4.11Å |
| 86 | F | 97.4 | Very high | 90 | Very high | 30 Ų | 30 | 66 Ų | 66 | 13% | 0.132 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.4 | 176.6 | -63.6 | -95.8 | 0 | 0 | 0 | 107.9 | L6 L10 V21 V78 T79 K84 | L6-F86 HydrophobicContact CD2-CE1 4.49Å; L6-F86 HydrophobicContact CD2-CZ 4.33Å; L10-F86 HydrophobicContact CD1-CD1 4.22Å; L10-F86 HydrophobicContact CD2-CD1 4.33Å; V21-F86 HydrophobicContact CG1-CD1 4.29Å; V21-F86 HydrophobicContact CG1-CE1 3.99Å; V21-F86 HydrophobicContact CG1-CZ 4.41Å; V21-F86 HydrophobicContact CG2-CD1 4Å; V21-F86 HydrophobicContact CG2-CE1 4.16Å; V78-F86 CarbonylContact C-O 3.5Å; V78-F86 VanDerWaalsContact CA-O 3.24Å; V78-F86 WeakPolarHBondContact CA-O 3.39Å; T79-F86 PolarHBondContact N-O 2.83Å; T79-F86 PolarHBondContact O-N 3.07Å; K84-F86 HydrophobicContact CB-CD2 4.39Å; K84-F86 HydrophobicContact CB-CE2 3.7Å; K84-F86 HydrophobicContact CB-CZ 4.05Å; K84-F86 HydrophobicContact CD-CZ 4.37Å |
| 87 | V | 98.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131 | 176.6 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | Y19 L20 I22 L34 M44 Y76 V77 V78 V85 | Y19-V87 CarbonylContact C-O 3.59Å; Y19-V87 WeakPolarHBondContact CA-O 3.49Å; Y19-V87 VanDerWaalsContact CB-O 3.28Å; Y19-V87 WeakPolarHBondContact CB-O 3.3Å; L20-V87 HydrophobicContact CB-CB 4.08Å; L20-V87 HydrophobicContact CB-CG2 4.4Å; L20-V87 PolarHBondContact N-O 3.04Å; L20-V87 PolarHBondContact O-N 3.05Å; I22-V87 HydrophobicContact CD1-CG2 4.17Å; L34-V87 HydrophobicContact CD1-CG1 4.37Å; M44-V87 HydrophobicContact CB-CG2 4Å; M44-V87 HydrophobicContact CG-CG1 4.2Å; M44-V87 HydrophobicContact CG-CG2 4.07Å; M44-V87 HydrophobicContact SD-CG1 4.41Å; Y76-V87 HydrophobicContact CD1-CG1 4.03Å; V77-V87 WeakPolarHBondContact O-CA 3.44Å; V78-V87 HydrophobicContact CG1-CG2 4.18Å; V78-V87 HydrophobicContact CG2-CB 4.47Å; V78-V87 HydrophobicContact CG2-CG1 4.14Å; V78-V87 HydrophobicContact CG2-CG2 4.14Å; V85-V87 HydrophobicContact CG1-CG2 4.11Å |
| 88 | V | 98.1 | Very high | 87.3 | Confident | 9 Ų | 9 | 74.8 Ų | 74.8 | 6% | 0.055 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 124 | 173.6 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | L10 I13 Q16 Y76 V77 R90 | L10-V88 HydrophobicContact CD2-CG2 3.98Å; I13-V88 HydrophobicContact CD1-CB 4.49Å; I13-V88 HydrophobicContact CD1-CG1 4.15Å; I13-V88 HydrophobicContact CD1-CG2 3.79Å; I13-V88 HydrophobicContact CG2-CG1 4.4Å; Q16-V88 HydrophobicContact CB-CG1 4.08Å; Q16-V88 HydrophobicContact CG-CG1 3.6Å; Y76-V88 WeakPolarHBondContact CA-O 3.47Å; V77-V88 PolarHBondContact N-O 3.17Å; V77-V88 PolarHBondContact O-N 3.21Å; V88-R90 HydrophobicContact CG1-CG 3.84Å |
| 89 | K | 98.2 | Very high | 85.8 | Confident | 25 Ų | 25 | 82.4 Ų | 82.4 | 11% | 0.109 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 123.2 | 168 | -168.6 | -179.9 | -177.4 | -174.3 | 0 | 108 | V17 G18 E33 L34 F74 Y76 | V17-K89 HydrophobicContact CG2-CB 3.99Å; V17-K89 HydrophobicContact CG2-CD 3.85Å; V17-K89 HydrophobicContact CG2-CG 3.67Å; V17-K89 WeakPolarHBondContact CG2-O 3.43Å; V17-K89 PolarHBondContact N-O 3.14Å; G18-K89 PolarHBondContact N-O 3.11Å; G18-K89 PolarHBondContact O-N 3.45Å; E33-K89 HydrophobicContact CB-CD 4.39Å; E33-K89 WeakPolarHBondContact OE2-CD 3.48Å; E33-K89 VanDerWaalsContact OE2-CE 3.25Å; E33-K89 WeakPolarHBondContact OE2-CE 3.47Å; E33-K89 IonicContact OE2-NZ 2.65Å; E33-K89 PolarHBondContact OE2-NZ 2.96Å; L34-K89 HydrophobicContact CD1-CB 3.98Å; L34-K89 HydrophobicContact CD2-CD 4.49Å; L34-K89 HydrophobicContact CG-CB 4.33Å; F74-K89 HydrophobicContact CB-CG 4.22Å; F74-K89 HydrophobicContact CD2-CD 4.2Å; F74-K89 HydrophobicContact CD2-CG 3.96Å; F74-K89 HydrophobicContact CG-CD 4.43Å; F74-K89 HydrophobicContact CG-CG 4.26Å; Y76-K89 HydrophobicContact CD1-CB 3.93Å; Y76-K89 HydrophobicContact CD1-CG 4.11Å; Y76-K89 HydrophobicContact CE1-CB 3.73Å; Y76-K89 HydrophobicContact CE1-CD 3.88Å; Y76-K89 HydrophobicContact CE1-CG 3.68Å |
| 90 | R | 97 | Very high | 84 | Confident | 69 Ų | 69 | 89.8 Ų | 89.8 | 26% | 0.26 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 146.1 | 176 | -59.1 | 177.1 | 65 | -140 | -7.3 | 109.9 | I13 P14 D15 F74 V75 V88 N92 | I13-R90 HydrophobicContact CG2-CG 4.35Å; P14-R90 PolarHBondContact O-NE 3.35Å; P14-R90 PolarHBondContact O-NH2 2.76Å; P14-R90 VanDerWaalsContact O-NH2 3.09Å; D15-R90 CarbonylContact O-C 3.55Å; D15-R90 WeakPolarHBondContact O-CA 3.43Å; D15-R90 IonicContact OD2-NH2 3.25Å; D15-R90 PolarHBondContact OD2-NH2 3.22Å; F74-R90 CarbonylContact C-O 3.58Å; F74-R90 WeakPolarHBondContact CA-O 3.43Å; F74-R90 WeakPolarHBondContact CB-O 3.34Å; V75-R90 HydrophobicContact CG1-CB 3.91Å; V75-R90 PolarHBondContact N-O 3.33Å; V75-R90 PolarHBondContact O-N 2.81Å; V88-R90 HydrophobicContact CG1-CG 3.84Å; R90-N92 PolarHBondContact O-N 3.18Å |
| 91 | Q | 95.6 | Very high | 83.5 | Confident | 95 Ų | 95 | 90.7 Ų | 90.7 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 137.5 | 168.2 | -67.2 | -177.1 | -35.2 | 0 | 0 | 109.7 | D15 V17 N93 | D15-Q91 HydrophobicContact CB-CB 4.32Å; D15-Q91 PolarHBondContact O-N 3.25Å; V17-Q91 HydrophobicContact CG1-CG 3.69Å; Q91-N93 PolarHBondContact O-N 3.12Å |
| 92 | N | 89.6 | Confident | 83 | Confident | 54 Ų | 54 | 91.5 Ų | 91.5 | 29% | 0.289 | 49% | 0.488 | S | S | . | . | trans | -86.3 | 61.5 | 175 | -171 | 32.4 | 0 | 0 | 0 | 109 | L71 E72 D73 R90 Q94 | L71-N92 PolarHBondContact O-ND2 2.89Å; L71-N92 VanDerWaalsContact O-ND2 3.09Å; E72-N92 PolarHBondContact O-ND2 3.37Å; D73-N92 VanDerWaalsContact C-CB 3.44Å; D73-N92 WeakPolarHBondContact O-CB 3.45Å; D73-N92 PolarHBondContact O-N 3.4Å; R90-N92 PolarHBondContact O-N 3.18Å; N92-Q94 PolarHBondContact O-N 3.16Å | ||
| 93 | N | 81.1 | Confident | 82.6 | Confident | 73 Ų | 73 | 92.9 Ų | 92.9 | 39% | 0.39 | 48% | 0.478 | S | S | . | . | trans | -66.4 | 118.1 | 168.7 | -64 | -26 | 0 | 0 | 0 | 105.8 | D15 Q91 H95 | D15-N93 PolarHBondContact OD1-ND2 3.47Å; Q91-N93 PolarHBondContact O-N 3.12Å; N93-H95 PolarHBondContact O-CD2 3.17Å; N93-H95 VanDerWaalsContact O-CD2 3.22Å; N93-H95 PolarHBondContact O-N 3.09Å | ||
| 94 | Q | 66.1 | Low | 82.2 | Confident | 186 Ų | 186 | 88.5 Ų | 88.5 | 87% | 0.869 | 46% | 0.459 | S | S | * | . | trans | -62.7 | 93.8 | 170.8 | -69.3 | -170.7 | 4.7 | 0 | 0 | 107 | N92 E96 | N92-Q94 PolarHBondContact O-N 3.16Å; Q94-E96 PolarHBondContact O-N 3.45Å; Q94-E96 VanDerWaalsContact O-N 3.11Å | ||
| 95 | H | 61.5 | Low | 81.4 | Confident | 128 Ų | 128 | 90.6 Ų | 90.6 | 59% | 0.593 | 47% | 0.473 | S | S | * | . | trans | -71.7 | 108.3 | 176.3 | -83.4 | -98.2 | 0 | 0 | 0 | 106.6 | D15 N93 | D15-H95 IonicContact OD2-CE1 3.8Å; D15-H95 IonicContact OD2-NE2 3.02Å; D15-H95 PolarHBondContact OD2-NE2 3.37Å; N93-H95 PolarHBondContact O-CD2 3.17Å; N93-H95 VanDerWaalsContact O-CD2 3.22Å; N93-H95 PolarHBondContact O-N 3.09Å | ||
| 96 | E | 59.3 | Low | 80.4 | Confident | 170 Ų | 170 | 96 Ų | 96 | 79% | 0.794 | 50% | 0.501 | S | S | * | . | trans | -53.9 | 144.8 | 162.2 | -71.3 | -171.6 | 162.1 | 0 | 0 | 108.5 | Q94 V98 | Q94-E96 PolarHBondContact O-N 3.45Å; Q94-E96 VanDerWaalsContact O-N 3.11Å; E96-V98 PolarHBondContact O-N 3.22Å; E96-V98 VanDerWaalsContact O-N 3.07Å | ||
| 97 | P | 67.9 | Low | 79.2 | Confident | 116 Ų | 116 | 100.7 Ų | 100.7 | 75% | 0.753 | 53% | 0.527 | S | S | * | . | trans | -53.2 | 122.5 | 176.5 | -20.6 | 30.1 | 0 | 0 | 0 | 109.6 | N99 | P97-N99 PolarHBondContact O-N 3.27Š| ||
| 98 | V | 71.6 | Confident | 77.8 | Confident | 121 Ų | 121 | 108.5 Ų | 108.5 | 73% | 0.733 | 57% | 0.568 | S | S | * | * | trans | -66.3 | 108.7 | 169.7 | -178.6 | 0 | 0 | 0 | 0 | 106.5 | E96 V100 | E96-V98 PolarHBondContact O-N 3.22Å; E96-V98 VanDerWaalsContact O-N 3.07Å; V98-V100 HydrophobicContact CG1-CG2 4.48Å; V98-V100 PolarHBondContact O-N 3.21Å | ||
| 99 | N | 67.3 | Low | 76.1 | Confident | 161 Ų | 161 | 116.8 Ų | 116.8 | 86% | 0.861 | 61% | 0.611 | S | S | * | * | trans | -65.6 | 116.4 | 169.2 | -80.1 | -44.7 | 0 | 0 | 0 | 107.7 | P97 | P97-N99 PolarHBondContact O-N 3.27Š| ||
| 100 | V | 57.8 | Low | 74.1 | Confident | 203 Ų | 203 | 125.1 Ų | 125.1 | 100% | 1.23 | 66% | 0.656 | S | S | * | * | trans | -98.5 | 0 | 175 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | V98 | V98-V100 HydrophobicContact CG1-CG2 4.48Å; V98-V100 PolarHBondContact O-N 3.21Å |
Retrieved 100 of 100 residues in 35.5 ms
(Link to these results)