| 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 | I | 44.1 | Very low | 82.5 | Confident | 204 Ų | 204 | 73.3 Ų | 73.3 | 100% | 1.046 | 38% | 0.376 | S | S | * | . | 0 | 114.7 | 0 | -59.5 | 171 | 0 | 0 | 0 | 104.8 | M3 | I1-M3 PolarHBondContact O-N 3.06Š| |||
| 2 | D | 47.8 | Very low | 83.7 | Confident | 149 Ų | 149 | 68.3 Ų | 68.3 | 80% | 0.797 | 36% | 0.356 | S | S | * | . | trans | -63.8 | 100.8 | -178.4 | -164.7 | 11.6 | 0 | 0 | 0 | 108.2 | L4 | D2-L4 VanDerWaalsContact C-N 3.28Å; D2-L4 PolarHBondContact O-N 3.09Å | ||
| 3 | M | 61.5 | Low | 84.8 | Confident | 166 Ų | 166 | 63.1 Ų | 63.1 | 82% | 0.818 | 33% | 0.329 | S | S | * | . | trans | -80.7 | 83.4 | -175.6 | -69.5 | -153.7 | -62.1 | 0 | 0 | 107.6 | I1 T5 | I1-M3 PolarHBondContact O-N 3.06Å; M3-T5 PolarHBondContact O-N 3.25Å | ||
| 4 | L | 76.6 | Confident | 85.7 | Confident | 96 Ų | 96 | 61 Ų | 61 | 50% | 0.503 | 32% | 0.318 | S | S | . | . | trans | -43.5 | 128.5 | 171.1 | -71.1 | 170.6 | 0 | 0 | 0 | 109.3 | D2 K6 | D2-L4 VanDerWaalsContact C-N 3.28Å; D2-L4 PolarHBondContact O-N 3.09Å; L4-K6 PolarHBondContact O-N 2.9Å | ||
| 5 | T | 90.9 | Very high | 86.4 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | trans | -47.6 | 133.5 | -179.1 | -57.4 | 0 | 0 | 0 | 0 | 110.4 | M3 D32 Y81 | M3-T5 PolarHBondContact O-N 3.25Å; T5-D32 HydrophobicContact CG2-CB 4.42Å; T5-Y81 HydrophobicContact CG2-CE1 4.35Å; T5-Y81 VanDerWaalsContact O-CD1 3.25Å; T5-Y81 WeakPolarHBondContact O-CD1 3.47Å | ||
| 6 | K | 95.4 | Very high | 87 | Confident | 114 Ų | 114 | 63.4 Ų | 63.4 | 50% | 0.496 | 34% | 0.34 | S | S | . | . | trans | -70.1 | 145 | 176.7 | -66.7 | -172.3 | 178.3 | 179.7 | 0 | 110.4 | L4 W29 G31 D32 D85 | L4-K6 PolarHBondContact O-N 2.9Å; K6-W29 HydrophobicContact CB-CZ2 3.7Å; K6-W29 HydrophobicContact CD-CH2 4.2Å; K6-W29 HydrophobicContact CD-CZ2 4.01Å; K6-W29 HydrophobicContact CG-CZ2 4.46Å; K6-G31 CarbonylContact O-C 3.46Å; K6-G31 VanDerWaalsContact O-CA 3.28Å; K6-G31 WeakPolarHBondContact O-CA 3.46Å; K6-D32 PolarHBondContact O-N 3.3Å; K6-D85 VanDerWaalsContact CA-OD2 3.27Å; K6-D85 WeakPolarHBondContact CA-OD2 3.48Å | ||
| 7 | V | 98 | Very high | 87.5 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 131.1 | -176.7 | 70.1 | 0 | 0 | 0 | 0 | 113.1 | V9 D32 Y34 F77 Y81 G83 V84 D85 I86 | V7-V9 HydrophobicContact CG2-CG2 4.32Å; V7-D32 WeakPolarHBondContact CA-O 3.42Å; V7-D32 HydrophobicContact CG2-CB 4.26Å; V7-Y34 HydrophobicContact CG2-CD2 3.52Å; V7-Y34 HydrophobicContact CG2-CE2 3.81Å; V7-F77 HydrophobicContact CG2-CD1 4.21Å; V7-F77 HydrophobicContact CG2-CE1 4.1Å; V7-Y81 HydrophobicContact CB-CD1 3.86Å; V7-Y81 HydrophobicContact CB-CD2 4.13Å; V7-Y81 HydrophobicContact CB-CE1 4.07Å; V7-Y81 HydrophobicContact CB-CE2 4.34Å; V7-Y81 HydrophobicContact CB-CG 3.89Å; V7-Y81 HydrophobicContact CG1-CD1 4.16Å; V7-Y81 HydrophobicContact CG1-CD2 4.03Å; V7-Y81 HydrophobicContact CG1-CG 3.73Å; V7-Y81 HydrophobicContact CG2-CD1 4.47Å; V7-Y81 HydrophobicContact CG2-CD2 4.11Å; V7-Y81 HydrophobicContact CG2-CE1 4.32Å; V7-Y81 HydrophobicContact CG2-CE2 3.95Å; V7-Y81 HydrophobicContact CG2-CG 4.37Å; V7-G83 WeakPolarHBondContact CG1-O 3.39Å; V7-V84 HydrophobicContact CG1-CB 4.16Å; V7-V84 HydrophobicContact CG1-CG1 4.1Å; V7-D85 PolarHBondContact N-OD2 3Å; V7-D85 WeakPolarHBondContact O-CB 3.47Å; V7-D85 PolarHBondContact O-N 2.83Å; V7-I86 PolarHBondContact O-N 2.74Å; V7-I86 VanDerWaalsContact O-N 3.15Å |
| 8 | A | 98.2 | Very high | 88 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L25 D32 Y34 I86 | A8-L25 HydrophobicContact CB-CD1 4.13Å; A8-D32 PolarHBondContact N-O 2.87Å; A8-Y34 PolarHBondContact O-N 3.49Å; A8-I86 CarbonylContact C-O 3.47Å; A8-I86 WeakPolarHBondContact CA-O 3.37Å; A8-I86 HydrophobicContact CB-CB 3.78Å; A8-I86 HydrophobicContact CB-CD1 4.34Å; A8-I86 HydrophobicContact CB-CG1 4.46Å; A8-I86 HydrophobicContact CB-CG2 4.31Å |
| 9 | V | 98.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.9 | -178.2 | -173 | 0 | 0 | 0 | 0 | 109.6 | V7 T36 F77 V84 I86 L87 I88 | V7-V9 HydrophobicContact CG2-CG2 4.32Å; V9-T36 HydrophobicContact CG1-CG2 3.9Å; V9-F77 HydrophobicContact CB-CZ 4.36Å; V9-F77 HydrophobicContact CG1-CE2 3.91Å; V9-F77 HydrophobicContact CG1-CZ 3.89Å; V9-F77 HydrophobicContact CG2-CD1 3.94Å; V9-F77 HydrophobicContact CG2-CD2 4.22Å; V9-F77 HydrophobicContact CG2-CE1 3.54Å; V9-F77 HydrophobicContact CG2-CE2 3.85Å; V9-F77 HydrophobicContact CG2-CG 4.29Å; V9-F77 HydrophobicContact CG2-CZ 3.5Å; V9-F77 VanDerWaalsContact CG2-CZ 3.5Å; V9-V84 HydrophobicContact CG2-CG1 3.91Å; V9-I86 PolarHBondContact N-O 2.89Å; V9-L87 HydrophobicContact CB-CD1 4.26Å; V9-L87 HydrophobicContact CG1-CD1 4.43Å; V9-I88 PolarHBondContact O-N 3.4Å |
| 10 | V | 98.4 | Very high | 89 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 117.2 | 178.5 | -170 | 0 | 0 | 0 | 0 | 109.7 | S13 V21 V22 L25 Y34 T36 I88 N90 | V10-S13 PolarHBondContact O-OG 2.95Å; V10-V21 HydrophobicContact CG1-CB 4.45Å; V10-V21 HydrophobicContact CG1-CG1 4.27Å; V10-V21 HydrophobicContact CG2-CG1 4.02Å; V10-V22 HydrophobicContact CB-CG2 3.82Å; V10-V22 HydrophobicContact CG1-CG2 4.33Å; V10-V22 HydrophobicContact CG2-CG2 3.76Å; V10-L25 HydrophobicContact CG2-CD1 3.64Å; V10-Y34 PolarHBondContact N-O 2.83Å; V10-T36 PolarHBondContact O-N 3.08Å; V10-T36 PolarHBondContact O-OG1 3.36Å; V10-I88 HydrophobicContact CB-CB 4.34Å; V10-I88 HydrophobicContact CG1-CB 4Å; V10-I88 HydrophobicContact CG1-CG2 4.1Å; V10-I88 HydrophobicContact CG2-CB 4.2Å; V10-I88 HydrophobicContact CG2-CG1 4.13Å; V10-N90 HydrophobicContact CG1-CB 4.23Å |
| 11 | T | 98.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 137.9 | -178.7 | 70.3 | 0 | 0 | 0 | 0 | 112.2 | S13 T36 L62 L87 I88 N90 A91 V121 | T11-S13 VanDerWaalsContact C-N 3.34Å; T11-S13 PolarHBondContact O-N 3.4Å; T11-T36 WeakPolarHBondContact CA-OG1 3.33Å; T11-L62 HydrophobicContact CG2-CD2 3.77Å; T11-L87 HydrophobicContact CG2-CD1 4.3Å; T11-I88 PolarHBondContact N-O 3.07Å; T11-I88 PolarHBondContact OG1-O 3.08Å; T11-N90 CarbonylContact O-C 3.46Å; T11-N90 WeakPolarHBondContact O-CB 3.42Å; T11-N90 PolarHBondContact O-ND2 2.85Å; T11-N90 PolarHBondContact OG1-N 2.89Å; T11-A91 PolarHBondContact O-N 3.1Å; T11-A91 VanDerWaalsContact O-N 3.11Å; T11-A91 WeakPolarHBondContact OG1-CB 3.23Å; T11-A91 PolarHBondContact OG1-N 3.3Å; T11-V121 HydrophobicContact CG2-CG1 4.43Å |
| 12 | G | 97.2 | Very high | 92.1 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 14% | 0.144 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 40.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T36 N90 | G12-T36 CarbonylContact C-O 3.48Å; G12-T36 WeakPolarHBondContact CA-O 3.42Å; G12-T36 PolarHBondContact N-O 3.15Å; G12-T36 PolarHBondContact N-OG1 3.21Å; G12-N90 PolarHBondContact O-ND2 2.83Å |
| 13 | S | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -99.1 | 13.9 | -166.9 | 45.1 | 0 | 0 | 0 | 0 | 114.8 | V10 T11 K15 G18 L19 L35 T36 | V10-S13 PolarHBondContact O-OG 2.95Å; T11-S13 VanDerWaalsContact C-N 3.34Å; T11-S13 PolarHBondContact O-N 3.4Å; S13-K15 PolarHBondContact O-N 3.15Å; S13-G18 WeakPolarHBondContact CB-O 3.48Å; S13-L19 VanDerWaalsContact O-CA 3.23Å; S13-L19 WeakPolarHBondContact O-CA 3.28Å; S13-L19 WeakPolarHBondContact O-CB 3.45Å; S13-L19 WeakPolarHBondContact O-CD1 3.47Å; S13-L19 PolarHBondContact O-N 3.41Å; S13-L35 WeakPolarHBondContact OG-CA 3.25Å; S13-T36 PolarHBondContact N-O 3.4Å; S13-T36 PolarHBondContact OG-N 2.92Å; S13-T36 PolarHBondContact OG-O 3.47Å | ||
| 14 | N | 97.8 | Very high | 96.3 | Very high | 34 Ų | 34 | 36 Ų | 36 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -73.5 | -4.9 | 176.9 | 72.6 | -70.3 | 0 | 0 | 0 | 114.9 | L35 A37 A46 | N14-L35 HydrophobicContact CB-CD2 4.31Å; N14-A37 HydrophobicContact CB-CB 3.83Å; N14-A46 HydrophobicContact CB-CB 4Å |
| 15 | K | 96.2 | Very high | 97.3 | Very high | 112 Ų | 112 | 32.8 Ų | 32.8 | 49% | 0.487 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -162 | 165.7 | 177.2 | 62.4 | 175.2 | -179.5 | 172.6 | 0 | 112.5 | S13 | S13-K15 PolarHBondContact O-N 3.15Š|
| 16 | G | 95.5 | Very high | 97.6 | Very high | 48 Ų | 48 | 30.7 Ų | 30.7 | 50% | 0.495 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | 62.2 | -141.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G18 L19 A20 | G16-G18 PolarHBondContact O-N 2.53Å; G16-L19 WeakPolarHBondContact O-CB 3.27Å; G16-L19 PolarHBondContact O-N 3.22Å; G16-L19 VanDerWaalsContact O-N 3.14Å; G16-A20 PolarHBondContact O-N 2.9Å |
| 17 | V | 95.4 | Very high | 97.8 | Very high | 45 Ų | 45 | 31.7 Ų | 31.7 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -55.3 | -48.5 | -176.4 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | L19 A20 V21 L138 L140 | V17-L19 VanDerWaalsContact C-N 3.26Å; V17-L19 PolarHBondContact O-N 2.93Å; V17-A20 WeakPolarHBondContact O-CA 3.47Å; V17-A20 WeakPolarHBondContact O-CB 3.5Å; V17-A20 PolarHBondContact O-N 3.19Å; V17-V21 HydrophobicContact CG1-CG2 4.27Å; V17-V21 WeakPolarHBondContact O-CG2 3.35Å; V17-V21 PolarHBondContact O-N 3.49Å; V17-L138 HydrophobicContact CG1-CD2 3.47Å; V17-L138 VanDerWaalsContact CG1-CD2 3.47Å; V17-L138 HydrophobicContact CG1-CG 4.31Å; V17-L140 HydrophobicContact CG1-CD1 4.04Å; V17-L140 HydrophobicContact CG2-CB 4.47Å |
| 18 | G | 97.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.2 | -35.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S13 G16 V21 V22 N90 | S13-G18 WeakPolarHBondContact CB-O 3.48Å; G16-G18 PolarHBondContact O-N 2.53Å; G18-V21 PolarHBondContact O-N 3.36Å; G18-V22 WeakPolarHBondContact O-CG2 3.45Å; G18-V22 PolarHBondContact O-N 2.87Å; G18-N90 WeakPolarHBondContact CA-ND2 3.37Å; G18-N90 WeakPolarHBondContact CA-OD1 3.49Å; G18-N90 PolarHBondContact N-OD1 2.81Å; G18-N90 VanDerWaalsContact N-OD1 3.12Å |
| 19 | L | 98.2 | Very high | 97.5 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 13% | 0.131 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.2 | -40.8 | 175.5 | -172.9 | 67.6 | 0 | 0 | 0 | 111.4 | S13 G16 V17 V21 V22 R23 L35 A46 L50 | S13-L19 VanDerWaalsContact O-CA 3.23Å; S13-L19 WeakPolarHBondContact O-CA 3.28Å; S13-L19 WeakPolarHBondContact O-CB 3.45Å; S13-L19 WeakPolarHBondContact O-CD1 3.47Å; S13-L19 PolarHBondContact O-N 3.41Å; G16-L19 WeakPolarHBondContact O-CB 3.27Å; G16-L19 PolarHBondContact O-N 3.22Å; G16-L19 VanDerWaalsContact O-N 3.14Å; V17-L19 VanDerWaalsContact C-N 3.26Å; V17-L19 PolarHBondContact O-N 2.93Å; L19-V21 VanDerWaalsContact C-N 3.31Å; L19-V21 PolarHBondContact O-N 3.48Å; L19-V22 PolarHBondContact O-N 3.1Å; L19-R23 WeakPolarHBondContact O-CB 3.44Å; L19-R23 PolarHBondContact O-N 3.29Å; L19-L35 HydrophobicContact CD1-CD1 3.71Å; L19-A46 HydrophobicContact CD1-CB 3.96Å; L19-L50 HydrophobicContact CD1-CD1 3.68Å; L19-L50 HydrophobicContact CD1-CD2 4.39Å; L19-L50 HydrophobicContact CD1-CG 4.04Å |
| 20 | A | 98.1 | Very high | 97.3 | Very high | 46 Ų | 46 | 51 Ų | 51 | 38% | 0.38 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | G16 V17 R23 A24 | G16-A20 PolarHBondContact O-N 2.9Å; V17-A20 WeakPolarHBondContact O-CA 3.47Å; V17-A20 WeakPolarHBondContact O-CB 3.5Å; V17-A20 PolarHBondContact O-N 3.19Å; A20-R23 WeakPolarHBondContact O-CB 3.46Å; A20-R23 PolarHBondContact O-N 2.91Å; A20-A24 WeakPolarHBondContact O-CB 3.44Å; A20-A24 PolarHBondContact O-N 3.41Å |
| 21 | V | 98.1 | Very high | 97.2 | Very high | 33 Ų | 33 | 52.4 Ų | 52.4 | 20% | 0.2 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.3 | -46.9 | 173.6 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | V10 V17 G18 L19 R23 A24 L25 I88 L138 | V10-V21 HydrophobicContact CG1-CB 4.45Å; V10-V21 HydrophobicContact CG1-CG1 4.27Å; V10-V21 HydrophobicContact CG2-CG1 4.02Å; V17-V21 HydrophobicContact CG1-CG2 4.27Å; V17-V21 WeakPolarHBondContact O-CG2 3.35Å; V17-V21 PolarHBondContact O-N 3.49Å; G18-V21 PolarHBondContact O-N 3.36Å; L19-V21 VanDerWaalsContact C-N 3.31Å; L19-V21 PolarHBondContact O-N 3.48Å; V21-R23 VanDerWaalsContact C-N 3.31Å; V21-R23 PolarHBondContact O-N 2.85Å; V21-A24 PolarHBondContact O-N 3.2Å; V21-L25 HydrophobicContact CG1-CD1 3.83Å; V21-L25 HydrophobicContact CG1-CG 4.27Å; V21-L25 WeakPolarHBondContact O-CB 3.49Å; V21-L25 WeakPolarHBondContact O-CG 3.42Å; V21-L25 PolarHBondContact O-N 3Å; V21-I88 HydrophobicContact CG1-CG1 4.28Å; V21-I88 HydrophobicContact CG1-CG2 4.5Å; V21-L138 HydrophobicContact CG2-CD2 3.77Å |
| 22 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 174.5 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | V10 G18 L19 A24 L25 C26 V33 L35 L50 P57 | V10-V22 HydrophobicContact CB-CG2 3.82Å; V10-V22 HydrophobicContact CG1-CG2 4.33Å; V10-V22 HydrophobicContact CG2-CG2 3.76Å; G18-V22 WeakPolarHBondContact O-CG2 3.45Å; G18-V22 PolarHBondContact O-N 2.87Å; L19-V22 PolarHBondContact O-N 3.1Å; V22-A24 VanDerWaalsContact C-N 3.33Å; V22-A24 PolarHBondContact O-N 3.32Å; V22-L25 PolarHBondContact O-N 3.28Å; V22-C26 WeakPolarHBondContact O-CB 3.45Å; V22-C26 PolarHBondContact O-N 3.19Å; V22-C26 PolarHBondContact O-SG 2.86Å; V22-C26 VanDerWaalsContact O-SG 3.32Å; V22-V33 HydrophobicContact CG1-CG1 3.99Å; V22-L35 HydrophobicContact CG1-CB 4.26Å; V22-L35 HydrophobicContact CG1-CD1 4.41Å; V22-L35 HydrophobicContact CG2-CB 4.2Å; V22-L35 HydrophobicContact CG2-CG 4.43Å; V22-L50 HydrophobicContact CB-CD1 4.27Å; V22-L50 HydrophobicContact CG1-CD1 3.55Å; V22-P57 HydrophobicContact CG1-CB 3.77Å |
| 23 | R | 98.6 | Very high | 97.2 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 27% | 0.272 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.9 | -46.3 | 176.1 | -175.2 | -173.4 | -72.6 | 114.6 | 2.2 | 112.1 | L19 A20 V21 K27 L50 E53 L55 | L19-R23 WeakPolarHBondContact O-CB 3.44Å; L19-R23 PolarHBondContact O-N 3.29Å; A20-R23 WeakPolarHBondContact O-CB 3.46Å; A20-R23 PolarHBondContact O-N 2.91Å; V21-R23 VanDerWaalsContact C-N 3.31Å; V21-R23 PolarHBondContact O-N 2.85Å; R23-K27 WeakPolarHBondContact O-CG 3.36Å; R23-K27 PolarHBondContact O-N 3.21Å; R23-L50 HydrophobicContact CB-CD2 3.76Å; R23-L50 HydrophobicContact CG-CD2 4.05Å; R23-E53 VanDerWaalsContact CD-OE2 3.23Å; R23-E53 WeakPolarHBondContact CD-OE2 3.38Å; R23-E53 IonicContact CZ-OE1 2.83Å; R23-E53 VanDerWaalsContact CZ-OE1 3.24Å; R23-E53 IonicContact CZ-OE2 2.87Å; R23-E53 VanDerWaalsContact NE-CD 3.27Å; R23-E53 IonicContact NE-OE1 3.87Å; R23-E53 PolarHBondContact NE-OE1 3.39Å; R23-E53 IonicContact NE-OE2 3.24Å; R23-E53 PolarHBondContact NE-OE2 2.99Å; R23-E53 IonicContact NH2-OE1 2.89Å; R23-E53 PolarHBondContact NH2-OE1 3.45Å; R23-L55 HydrophobicContact CB-CD1 4.27Å; R23-L55 HydrophobicContact CG-CD1 3.61Å |
| 24 | A | 98.4 | Very high | 97.3 | Very high | 40 Ų | 40 | 54.5 Ų | 54.5 | 33% | 0.331 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.7 | -44.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A20 V21 V22 C26 K27 Q28 | A20-A24 WeakPolarHBondContact O-CB 3.44Å; A20-A24 PolarHBondContact O-N 3.41Å; V21-A24 PolarHBondContact O-N 3.2Å; V22-A24 VanDerWaalsContact C-N 3.33Å; V22-A24 PolarHBondContact O-N 3.32Å; A24-C26 PolarHBondContact O-N 2.79Å; A24-K27 PolarHBondContact O-N 2.71Å; A24-K27 VanDerWaalsContact O-N 3.1Å; A24-Q28 WeakPolarHBondContact O-CG 3.14Å; A24-Q28 PolarHBondContact O-N 3.12Å |
| 25 | L | 98.2 | Very high | 97.3 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 15% | 0.147 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 176.1 | -73.3 | 170.8 | 0 | 0 | 0 | 111.1 | A8 V10 V21 V22 K27 Q28 W29 V33 I86 | A8-L25 HydrophobicContact CB-CD1 4.13Å; V10-L25 HydrophobicContact CG2-CD1 3.64Å; V21-L25 HydrophobicContact CG1-CD1 3.83Å; V21-L25 HydrophobicContact CG1-CG 4.27Å; V21-L25 WeakPolarHBondContact O-CB 3.49Å; V21-L25 WeakPolarHBondContact O-CG 3.42Å; V21-L25 PolarHBondContact O-N 3Å; V22-L25 PolarHBondContact O-N 3.28Å; L25-K27 PolarHBondContact O-N 2.84Å; L25-K27 VanDerWaalsContact O-N 3.08Å; L25-Q28 PolarHBondContact O-N 2.88Å; L25-Q28 VanDerWaalsContact O-N 3.1Å; L25-W29 HydrophobicContact CB-CB 4.47Å; L25-W29 HydrophobicContact CD2-CB 4.36Å; L25-W29 WeakPolarHBondContact O-CA 3.36Å; L25-W29 WeakPolarHBondContact O-CB 3.49Å; L25-W29 PolarHBondContact O-N 3Å; L25-V33 HydrophobicContact CB-CG1 3.83Å; L25-V33 HydrophobicContact CB-CG2 3.91Å; L25-V33 HydrophobicContact CD1-CG1 4.24Å; L25-I86 HydrophobicContact CD2-CD1 4.28Å |
| 26 | C | 98.4 | Very high | 97.4 | Very high | 32 Ų | 32 | 47.6 Ų | 47.6 | 22% | 0.216 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.7 | -24.5 | 176.9 | -71.8 | 0 | 0 | 0 | 0 | 113.6 | V22 A24 L55 | V22-C26 WeakPolarHBondContact O-CB 3.45Å; V22-C26 PolarHBondContact O-N 3.19Å; V22-C26 PolarHBondContact O-SG 2.86Å; V22-C26 VanDerWaalsContact O-SG 3.32Å; A24-C26 PolarHBondContact O-N 2.79Å; C26-L55 HydrophobicContact CB-CB 3.97Å; C26-L55 HydrophobicContact CB-CD1 4.12Å; C26-L55 HydrophobicContact CB-CD2 3.95Å; C26-L55 HydrophobicContact CB-CG 4.24Å |
| 27 | K | 98 | Very high | 97.6 | Very high | 134 Ų | 134 | 45.4 Ų | 45.4 | 58% | 0.583 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -87.6 | -24.2 | 178.7 | -69.1 | 177.5 | -177.3 | -174.6 | 0 | 113.7 | R23 A24 L25 L55 | R23-K27 WeakPolarHBondContact O-CG 3.36Å; R23-K27 PolarHBondContact O-N 3.21Å; A24-K27 PolarHBondContact O-N 2.71Å; A24-K27 VanDerWaalsContact O-N 3.1Å; L25-K27 PolarHBondContact O-N 2.84Å; L25-K27 VanDerWaalsContact O-N 3.08Å; K27-L55 HydrophobicContact CG-CD2 3.71Å |
| 28 | Q | 96.5 | Very high | 97.7 | Very high | 160 Ų | 160 | 50.4 Ų | 50.4 | 75% | 0.748 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -123.1 | -26.8 | -166.1 | -61.8 | 178.4 | 7.6 | 0 | 0 | 113.7 | A24 L25 | A24-Q28 WeakPolarHBondContact O-CG 3.14Å; A24-Q28 PolarHBondContact O-N 3.12Å; L25-Q28 PolarHBondContact O-N 2.88Å; L25-Q28 VanDerWaalsContact O-N 3.1Å |
| 29 | W | 94.7 | Very high | 97.7 | Very high | 68 Ų | 68 | 53.8 Ų | 53.8 | 26% | 0.258 | 27% | 0.27 | S | S | . | . | trans | -85.8 | 134.4 | -176.4 | -177 | -110.5 | 0 | 0 | 0 | 111.4 | K6 L25 G31 V33 D85 I86 | K6-W29 HydrophobicContact CB-CZ2 3.7Å; K6-W29 HydrophobicContact CD-CH2 4.2Å; K6-W29 HydrophobicContact CD-CZ2 4.01Å; K6-W29 HydrophobicContact CG-CZ2 4.46Å; L25-W29 HydrophobicContact CB-CB 4.47Å; L25-W29 HydrophobicContact CD2-CB 4.36Å; L25-W29 WeakPolarHBondContact O-CA 3.36Å; L25-W29 WeakPolarHBondContact O-CB 3.49Å; L25-W29 PolarHBondContact O-N 3Å; W29-G31 PolarHBondContact O-N 3.42Å; W29-V33 HydrophobicContact CB-CG2 4.35Å; W29-V33 HydrophobicContact CG-CG2 4.5Å; W29-D85 HydrophobicContact CH2-CB 4.06Å; W29-D85 HydrophobicContact CZ2-CB 3.72Å; W29-I86 HydrophobicContact CD2-CD1 4.09Å; W29-I86 HydrophobicContact CE3-CD1 3.66Å; W29-I86 HydrophobicContact CH2-CD1 3.71Å; W29-I86 HydrophobicContact CH2-CG1 3.96Å; W29-I86 HydrophobicContact CZ2-CD1 4.12Å; W29-I86 HydrophobicContact CZ2-CG1 4.28Å; W29-I86 HydrophobicContact CZ3-CD1 3.48Å; W29-I86 VanDerWaalsContact CZ3-CD1 3.48Å; W29-I86 HydrophobicContact CZ3-CG1 4.22Å | ||
| 30 | Q | 93.8 | Very high | 97.7 | Very high | 178 Ų | 178 | 56.7 Ų | 56.7 | 83% | 0.832 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -94.1 | 83.3 | 174.3 | -67.8 | 168.3 | 52 | 0 | 0 | 109.1 | ||
| 31 | G | 95.8 | Very high | 97.8 | Very high | 30 Ų | 30 | 56.6 Ų | 56.6 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 162.9 | -173.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K6 W29 | K6-G31 CarbonylContact O-C 3.46Å; K6-G31 VanDerWaalsContact O-CA 3.28Å; K6-G31 WeakPolarHBondContact O-CA 3.46Å; W29-G31 PolarHBondContact O-N 3.42Å |
| 32 | D | 98.1 | Very high | 97.8 | Very high | 49 Ų | 49 | 61.8 Ų | 61.8 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 138.5 | 178.1 | -73.6 | -17.3 | 0 | 0 | 0 | 110.8 | T5 K6 V7 A8 Y34 L58 Y81 | T5-D32 HydrophobicContact CG2-CB 4.42Å; K6-D32 PolarHBondContact O-N 3.3Å; V7-D32 WeakPolarHBondContact CA-O 3.42Å; V7-D32 HydrophobicContact CG2-CB 4.26Å; A8-D32 PolarHBondContact N-O 2.87Å; D32-Y34 HydrophobicContact CB-CE2 4.2Å; D32-L58 HydrophobicContact CB-CD1 3.94Å; D32-Y81 HydrophobicContact CB-CE1 4.2Å; D32-Y81 VanDerWaalsContact OD2-CE1 3.27Å; D32-Y81 WeakPolarHBondContact OD2-CE1 3.4Å; D32-Y81 VanDerWaalsContact OD2-CZ 3.29Å; D32-Y81 PolarHBondContact OD2-OH 2.84Å |
| 33 | V | 98.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.024 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 117.1 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | V22 L25 W29 P57 L58 | V22-V33 HydrophobicContact CG1-CG1 3.99Å; L25-V33 HydrophobicContact CB-CG1 3.83Å; L25-V33 HydrophobicContact CB-CG2 3.91Å; L25-V33 HydrophobicContact CD1-CG1 4.24Å; W29-V33 HydrophobicContact CB-CG2 4.35Å; W29-V33 HydrophobicContact CG-CG2 4.5Å; V33-P57 WeakPolarHBondContact O-CA 3.39Å; V33-L58 PolarHBondContact O-N 2.82Å |
| 34 | Y | 98.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 62.2 Ų | 62.2 | 3% | 0.027 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 114.9 | 178.2 | -83.8 | -96.9 | 0 | 0 | 0 | 111.7 | V7 A8 V10 D32 L58 H60 F76 F77 K80 Y81 | V7-Y34 HydrophobicContact CG2-CD2 3.52Å; V7-Y34 HydrophobicContact CG2-CE2 3.81Å; A8-Y34 PolarHBondContact O-N 3.49Å; V10-Y34 PolarHBondContact N-O 2.83Å; D32-Y34 HydrophobicContact CB-CE2 4.2Å; Y34-L58 WeakPolarHBondContact CA-O 3.27Å; Y34-L58 HydrophobicContact CD1-CB 3.93Å; Y34-L58 HydrophobicContact CD2-CB 4.21Å; Y34-L58 HydrophobicContact CD2-CD1 4.42Å; Y34-L58 HydrophobicContact CE1-CB 3.69Å; Y34-L58 HydrophobicContact CE1-CD1 4.41Å; Y34-L58 HydrophobicContact CE2-CB 4Å; Y34-L58 HydrophobicContact CE2-CD1 3.61Å; Y34-L58 HydrophobicContact CE2-CG 4.42Å; Y34-L58 HydrophobicContact CG-CB 4.2Å; Y34-H60 HydrophobicContact CD1-CB 3.69Å; Y34-H60 HydrophobicContact CE1-CB 4Å; Y34-F76 AromaticContact CE1-CE1 3.79Å; Y34-F76 HydrophobicContact CE1-CE1 3.79Å; Y34-F76 HydrophobicContact CE1-CZ 4.16Å; Y34-F76 AromaticContact CZ-CE1 3.71Å; Y34-F76 AromaticContact CZ-CZ 3.99Å; Y34-F76 WeakPolarHBondContact OH-CE1 3.27Å; Y34-F76 WeakPolarHBondContact OH-CZ 3.5Å; Y34-F77 AromaticContact CD1-CE1 3.97Å; Y34-F77 HydrophobicContact CD1-CE1 3.97Å; Y34-F77 AromaticContact CD1-CZ 3.9Å; Y34-F77 HydrophobicContact CD1-CZ 3.9Å; Y34-F77 AromaticContact CD2-CE1 3.6Å; Y34-F77 HydrophobicContact CD2-CE1 3.6Å; Y34-F77 HydrophobicContact CD2-CZ 4.22Å; Y34-F77 HydrophobicContact CE1-CE1 4.21Å; Y34-F77 HydrophobicContact CE1-CZ 4.42Å; Y34-F77 AromaticContact CE2-CE1 3.86Å; Y34-F77 HydrophobicContact CE2-CE1 3.86Å; Y34-F77 AromaticContact CG-CE1 3.63Å; Y34-F77 HydrophobicContact CG-CE1 3.63Å; Y34-F77 AromaticContact CG-CZ 3.76Å; Y34-F77 HydrophobicContact CG-CZ 3.76Å; Y34-K80 PolarHBondContact OH-NZ 3.35Å; Y34-Y81 AromaticContact CE2-CE2 3.68Å; Y34-Y81 HydrophobicContact CE2-CE2 3.68Å; Y34-Y81 AromaticContact CE2-CZ 3.75Å; Y34-Y81 VanDerWaalsContact CE2-OH 3.28Å; Y34-Y81 WeakPolarHBondContact CE2-OH 3.28Å; Y34-Y81 PolarHBondContact OH-OH 3.16Å |
| 35 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 132.3 | 158.5 | -173 | 153.5 | 0 | 0 | 0 | 108.2 | S13 N14 L19 V22 A46 V47 L50 P57 L58 F59 H60 | S13-L35 WeakPolarHBondContact OG-CA 3.25Å; N14-L35 HydrophobicContact CB-CD2 4.31Å; L19-L35 HydrophobicContact CD1-CD1 3.71Å; V22-L35 HydrophobicContact CG1-CB 4.26Å; V22-L35 HydrophobicContact CG1-CD1 4.41Å; V22-L35 HydrophobicContact CG2-CB 4.2Å; V22-L35 HydrophobicContact CG2-CG 4.43Å; L35-A46 HydrophobicContact CD1-CB 3.65Å; L35-A46 HydrophobicContact CD2-CB 4.27Å; L35-V47 HydrophobicContact CB-CG2 4.37Å; L35-V47 HydrophobicContact CD1-CG2 4.44Å; L35-L50 HydrophobicContact CD1-CD1 4.09Å; L35-P57 HydrophobicContact CB-CB 4.49Å; L35-L58 PolarHBondContact N-O 3.05Å; L35-F59 HydrophobicContact CD2-CD2 3.86Å; L35-F59 HydrophobicContact CD2-CE2 4.18Å; L35-F59 WeakPolarHBondContact O-CA 3.24Å; L35-F59 WeakPolarHBondContact O-CD2 3.38Å; L35-H60 PolarHBondContact O-N 2.93Å; L35-H60 VanDerWaalsContact O-N 3.15Å |
| 36 | T | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148.1 | 176.8 | 72.6 | 0 | 0 | 0 | 0 | 111.7 | V9 V10 T11 G12 S13 H60 L62 | V9-T36 HydrophobicContact CG1-CG2 3.9Å; V10-T36 PolarHBondContact O-N 3.08Å; V10-T36 PolarHBondContact O-OG1 3.36Å; T11-T36 WeakPolarHBondContact CA-OG1 3.33Å; G12-T36 CarbonylContact C-O 3.48Å; G12-T36 WeakPolarHBondContact CA-O 3.42Å; G12-T36 PolarHBondContact N-O 3.15Å; G12-T36 PolarHBondContact N-OG1 3.21Å; S13-T36 PolarHBondContact N-O 3.4Å; S13-T36 PolarHBondContact OG-N 2.92Å; S13-T36 PolarHBondContact OG-O 3.47Å; T36-H60 VanDerWaalsContact CA-O 3.24Å; T36-H60 WeakPolarHBondContact CA-O 3.32Å; T36-H60 VanDerWaalsContact CB-O 3.27Å; T36-H60 WeakPolarHBondContact CB-O 3.5Å; T36-H60 HydrophobicContact CG2-CB 4.47Å; T36-L62 HydrophobicContact CG2-CB 4.41Å |
| 37 | A | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 153.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | N14 D39 F59 Q61 L62 | N14-A37 HydrophobicContact CB-CB 3.83Å; A37-D39 VanDerWaalsContact C-N 3.28Å; A37-F59 HydrophobicContact CB-CE2 3.98Å; A37-F59 HydrophobicContact CB-CZ 4.48Å; A37-Q61 WeakPolarHBondContact O-CA 3.27Å; A37-L62 CarbonylContact C-O 3.25Å; A37-L62 VanDerWaalsContact C-O 3.25Å; A37-L62 PolarHBondContact O-N 2.99Å |
| 38 | R | 97.6 | Very high | 97.8 | Very high | 151 Ų | 151 | 61.5 Ų | 61.5 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -66.9 | -34 | 172.7 | 71.2 | -178.4 | -175.5 | -172.7 | 2.8 | 112.3 | Q61 L62 N63 | R38-Q61 PolarHBondContact O-NE2 3.34Å; R38-L62 WeakPolarHBondContact CA-O 3.42Å; R38-L62 PolarHBondContact N-O 3.38Å; R38-N63 HydrophobicContact CB-CB 3.88Å |
| 39 | D | 98.3 | Very high | 97.9 | Very high | 70 Ų | 70 | 55.9 Ų | 55.9 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -105 | 120.8 | -175.8 | -179.2 | -82.2 | 0 | 0 | 0 | 109 | A37 G41 R42 G43 | A37-D39 VanDerWaalsContact C-N 3.28Å; D39-G41 PolarHBondContact OD1-N 3.19Å; D39-R42 HydrophobicContact CB-CB 4.23Å; D39-R42 HydrophobicContact CB-CG 4.38Å; D39-R42 WeakPolarHBondContact OD1-CB 3.49Å; D39-R42 WeakPolarHBondContact OD1-CG 3.48Å; D39-R42 PolarHBondContact OD1-N 2.88Å; D39-G43 PolarHBondContact O-N 3.23Å |
| 40 | V | 98.3 | Very high | 98.1 | Very high | 86 Ų | 86 | 52.7 Ų | 52.7 | 52% | 0.521 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | -174.8 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | R42 G43 Q44 F59 Q61 | V40-R42 PolarHBondContact O-N 3.03Å; V40-G43 PolarHBondContact O-N 3.29Å; V40-G43 VanDerWaalsContact O-N 3.16Å; V40-Q44 WeakPolarHBondContact O-CB 3.38Å; V40-Q44 PolarHBondContact O-N 2.96Å; V40-F59 HydrophobicContact CB-CE1 4.35Å; V40-F59 HydrophobicContact CG1-CE1 4.03Å; V40-F59 HydrophobicContact CG2-CE1 4.28Å; V40-Q61 HydrophobicContact CG2-CB 4.19Å; V40-Q61 HydrophobicContact CG2-CG 3.82Å |
| 41 | G | 98.5 | Very high | 98.3 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 46% | 0.464 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.9 | -47.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D39 G43 Q44 V45 | D39-G41 PolarHBondContact OD1-N 3.19Å; G41-G43 VanDerWaalsContact C-N 3.3Å; G41-G43 PolarHBondContact O-N 3.14Å; G41-Q44 PolarHBondContact O-N 3.38Å; G41-V45 WeakPolarHBondContact O-CG2 3.23Å; G41-V45 PolarHBondContact O-N 3.23Å |
| 42 | R | 98.3 | Very high | 98.4 | Very high | 141 Ų | 141 | 53 Ų | 53 | 53% | 0.532 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.5 | -33.4 | 175.8 | -69 | 178.6 | -178.3 | -175.5 | 0.8 | 112.7 | D39 V40 A46 | D39-R42 HydrophobicContact CB-CB 4.23Å; D39-R42 HydrophobicContact CB-CG 4.38Å; D39-R42 WeakPolarHBondContact OD1-CB 3.49Å; D39-R42 WeakPolarHBondContact OD1-CG 3.48Å; D39-R42 PolarHBondContact OD1-N 2.88Å; V40-R42 PolarHBondContact O-N 3.03Å; R42-A46 WeakPolarHBondContact O-CB 3.4Å; R42-A46 PolarHBondContact O-N 2.71Å |
| 43 | G | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | D39 V40 G41 A46 V47 | D39-G43 PolarHBondContact O-N 3.23Å; V40-G43 PolarHBondContact O-N 3.29Å; V40-G43 VanDerWaalsContact O-N 3.16Å; G41-G43 VanDerWaalsContact C-N 3.3Å; G41-G43 PolarHBondContact O-N 3.14Å; G43-A46 WeakPolarHBondContact O-CB 3.46Å; G43-A46 PolarHBondContact O-N 3.31Å; G43-V47 PolarHBondContact O-N 2.76Å |
| 44 | Q | 98.4 | Very high | 98.4 | Very high | 81 Ų | 81 | 57.4 Ų | 57.4 | 38% | 0.379 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 179.8 | -173.7 | 56.2 | 39.1 | 0 | 0 | 112.2 | V40 G41 A46 V47 E48 | V40-Q44 WeakPolarHBondContact O-CB 3.38Å; V40-Q44 PolarHBondContact O-N 2.96Å; G41-Q44 PolarHBondContact O-N 3.38Å; Q44-A46 PolarHBondContact O-N 2.93Å; Q44-V47 WeakPolarHBondContact O-CB 3.43Å; Q44-V47 PolarHBondContact O-N 3.41Å; Q44-V47 VanDerWaalsContact O-N 3.12Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.36Å; Q44-E48 PolarHBondContact NE2-OE1 2.78Å; Q44-E48 VanDerWaalsContact NE2-OE1 3.15Å; Q44-E48 PolarHBondContact O-N 3.07Å |
| 45 | V | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 58 Ų | 58 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -57.1 | -39 | 173.2 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | G41 E48 S49 | G41-V45 WeakPolarHBondContact O-CG2 3.23Å; G41-V45 PolarHBondContact O-N 3.23Å; V45-E48 PolarHBondContact O-N 2.81Å; V45-S49 WeakPolarHBondContact O-CB 3.41Å; V45-S49 PolarHBondContact O-N 2.95Å |
| 46 | A | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 66.8 Ų | 66.8 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69 | -39.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | N14 L19 L35 R42 G43 Q44 S49 L50 | N14-A46 HydrophobicContact CB-CB 4Å; L19-A46 HydrophobicContact CD1-CB 3.96Å; L35-A46 HydrophobicContact CD1-CB 3.65Å; L35-A46 HydrophobicContact CD2-CB 4.27Å; R42-A46 WeakPolarHBondContact O-CB 3.4Å; R42-A46 PolarHBondContact O-N 2.71Å; G43-A46 WeakPolarHBondContact O-CB 3.46Å; G43-A46 PolarHBondContact O-N 3.31Å; Q44-A46 PolarHBondContact O-N 2.93Å; A46-S49 PolarHBondContact O-N 3.15Å; A46-S49 PolarHBondContact O-OG 3.39Å; A46-L50 PolarHBondContact O-N 2.78Å |
| 47 | V | 98.6 | Very high | 98.3 | Very high | 21 Ų | 21 | 67.1 Ų | 67.1 | 13% | 0.127 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 172.2 | 166.2 | 0 | 0 | 0 | 0 | 111 | L35 G43 Q44 S49 L50 A51 P57 F59 | L35-V47 HydrophobicContact CB-CG2 4.37Å; L35-V47 HydrophobicContact CD1-CG2 4.44Å; G43-V47 PolarHBondContact O-N 2.76Å; Q44-V47 WeakPolarHBondContact O-CB 3.43Å; Q44-V47 PolarHBondContact O-N 3.41Å; Q44-V47 VanDerWaalsContact O-N 3.12Å; V47-S49 VanDerWaalsContact C-N 3.32Å; V47-S49 PolarHBondContact O-N 2.84Å; V47-L50 PolarHBondContact O-N 3.47Å; V47-L50 VanDerWaalsContact O-N 3.15Å; V47-A51 PolarHBondContact O-N 3.16Å; V47-P57 HydrophobicContact CB-CG 4.48Å; V47-P57 HydrophobicContact CG1-CG 4.3Å; V47-P57 HydrophobicContact CG2-CG 4.25Å; V47-F59 HydrophobicContact CG2-CB 3.97Å |
| 48 | E | 98.5 | Very high | 98.4 | Very high | 99 Ų | 99 | 70 Ų | 70 | 46% | 0.463 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 177.9 | -74.2 | 166 | -162.1 | 0 | 0 | 111.9 | Q44 V45 L50 A51 L52 | Q44-E48 WeakPolarHBondContact CG-OE1 3.36Å; Q44-E48 PolarHBondContact NE2-OE1 2.78Å; Q44-E48 VanDerWaalsContact NE2-OE1 3.15Å; Q44-E48 PolarHBondContact O-N 3.07Å; V45-E48 PolarHBondContact O-N 2.81Å; E48-L50 VanDerWaalsContact C-N 3.26Å; E48-L50 PolarHBondContact O-N 3.19Å; E48-A51 WeakPolarHBondContact O-CB 3.35Å; E48-A51 PolarHBondContact O-N 3.15Å; E48-A51 VanDerWaalsContact O-N 3.08Å; E48-L52 WeakPolarHBondContact O-CG 3.39Å; E48-L52 PolarHBondContact O-N 2.89Å |
| 49 | S | 98.6 | Very high | 98.4 | Very high | 43 Ų | 43 | 65.1 Ų | 65.1 | 30% | 0.301 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.5 | -37.1 | 177.3 | 76.7 | 0 | 0 | 0 | 0 | 112.9 | V45 A46 V47 | V45-S49 WeakPolarHBondContact O-CB 3.41Å; V45-S49 PolarHBondContact O-N 2.95Å; A46-S49 PolarHBondContact O-N 3.15Å; A46-S49 PolarHBondContact O-OG 3.39Å; V47-S49 VanDerWaalsContact C-N 3.32Å; V47-S49 PolarHBondContact O-N 2.84Å |
| 50 | L | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -77.9 | -30.7 | 176.3 | -68.6 | 173 | 0 | 0 | 0 | 111.7 | L19 V22 R23 L35 A46 V47 E48 L52 E53 L55 P57 | L19-L50 HydrophobicContact CD1-CD1 3.68Å; L19-L50 HydrophobicContact CD1-CD2 4.39Å; L19-L50 HydrophobicContact CD1-CG 4.04Å; V22-L50 HydrophobicContact CB-CD1 4.27Å; V22-L50 HydrophobicContact CG1-CD1 3.55Å; R23-L50 HydrophobicContact CB-CD2 3.76Å; R23-L50 HydrophobicContact CG-CD2 4.05Å; L35-L50 HydrophobicContact CD1-CD1 4.09Å; A46-L50 PolarHBondContact O-N 2.78Å; V47-L50 PolarHBondContact O-N 3.47Å; V47-L50 VanDerWaalsContact O-N 3.15Å; E48-L50 VanDerWaalsContact C-N 3.26Å; E48-L50 PolarHBondContact O-N 3.19Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 3.04Å; L50-E53 WeakPolarHBondContact O-CA 3.41Å; L50-E53 WeakPolarHBondContact O-CB 3.38Å; L50-E53 PolarHBondContact O-N 2.95Å; L50-L55 HydrophobicContact CB-CB 4.35Å; L50-L55 HydrophobicContact CD2-CD1 4.09Å; L50-L55 WeakPolarHBondContact O-CB 3.34Å; L50-L55 PolarHBondContact O-N 3.43Å; L50-L55 VanDerWaalsContact O-N 3.09Å; L50-P57 HydrophobicContact CB-CG 3.8Å; L50-P57 HydrophobicContact CD1-CB 4.28Å; L50-P57 HydrophobicContact CD1-CG 3.72Å; L50-P57 HydrophobicContact CG-CG 4.42Å |
| 51 | A | 98.1 | Very high | 98.5 | Very high | 54 Ų | 54 | 62 Ų | 62 | 45% | 0.446 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63 | -37 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | V47 E48 E53 G54 L55 | V47-A51 PolarHBondContact O-N 3.16Å; E48-A51 WeakPolarHBondContact O-CB 3.35Å; E48-A51 PolarHBondContact O-N 3.15Å; E48-A51 VanDerWaalsContact O-N 3.08Å; A51-E53 PolarHBondContact O-N 2.85Å; A51-G54 WeakPolarHBondContact O-CA 3.12Å; A51-G54 PolarHBondContact O-N 3.22Å; A51-L55 WeakPolarHBondContact CA-O 3.42Å |
| 52 | L | 98.3 | Very high | 98.5 | Very high | 161 Ų | 161 | 60.1 Ų | 60.1 | 84% | 0.843 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.5 | 172.3 | -65.7 | 174.2 | 0 | 0 | 0 | 112.9 | E48 L50 G54 | E48-L52 WeakPolarHBondContact O-CG 3.39Å; E48-L52 PolarHBondContact O-N 2.89Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 3.04Å; L52-G54 VanDerWaalsContact C-N 3.29Å |
| 53 | E | 98 | Very high | 98.5 | Very high | 84 Ų | 84 | 55.4 Ų | 55.4 | 39% | 0.393 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 3.9 | 172.1 | -58.2 | 179.8 | -136 | 0 | 0 | 113 | R23 L50 A51 L55 | R23-E53 VanDerWaalsContact CD-OE2 3.23Å; R23-E53 WeakPolarHBondContact CD-OE2 3.38Å; R23-E53 IonicContact CZ-OE1 2.83Å; R23-E53 VanDerWaalsContact CZ-OE1 3.24Å; R23-E53 IonicContact CZ-OE2 2.87Å; R23-E53 VanDerWaalsContact NE-CD 3.27Å; R23-E53 IonicContact NE-OE1 3.87Å; R23-E53 PolarHBondContact NE-OE1 3.39Å; R23-E53 IonicContact NE-OE2 3.24Å; R23-E53 PolarHBondContact NE-OE2 2.99Å; R23-E53 IonicContact NH2-OE1 2.89Å; R23-E53 PolarHBondContact NH2-OE1 3.45Å; L50-E53 WeakPolarHBondContact O-CA 3.41Å; L50-E53 WeakPolarHBondContact O-CB 3.38Å; L50-E53 PolarHBondContact O-N 2.95Å; A51-E53 PolarHBondContact O-N 2.85Å; E53-L55 VanDerWaalsContact C-N 3.32Å; E53-L55 HydrophobicContact CB-CD1 4.31Å; E53-L55 HydrophobicContact CB-CG 4.24Å |
| 54 | G | 98.3 | Very high | 98.4 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 63% | 0.629 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 9.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A51 L52 | A51-G54 WeakPolarHBondContact O-CA 3.12Å; A51-G54 PolarHBondContact O-N 3.22Å; L52-G54 VanDerWaalsContact C-N 3.29Å |
| 55 | L | 98.5 | Very high | 98.4 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | trans | -90.4 | 158.9 | 178.9 | -53.6 | 175 | 0 | 0 | 0 | 111 | R23 C26 K27 L50 A51 E53 P57 | R23-L55 HydrophobicContact CB-CD1 4.27Å; R23-L55 HydrophobicContact CG-CD1 3.61Å; C26-L55 HydrophobicContact CB-CB 3.97Å; C26-L55 HydrophobicContact CB-CD1 4.12Å; C26-L55 HydrophobicContact CB-CD2 3.95Å; C26-L55 HydrophobicContact CB-CG 4.24Å; K27-L55 HydrophobicContact CG-CD2 3.71Å; L50-L55 HydrophobicContact CB-CB 4.35Å; L50-L55 HydrophobicContact CD2-CD1 4.09Å; L50-L55 WeakPolarHBondContact O-CB 3.34Å; L50-L55 PolarHBondContact O-N 3.43Å; L50-L55 VanDerWaalsContact O-N 3.09Å; A51-L55 WeakPolarHBondContact CA-O 3.42Å; E53-L55 VanDerWaalsContact C-N 3.32Å; E53-L55 HydrophobicContact CB-CD1 4.31Å; E53-L55 HydrophobicContact CB-CG 4.24Å; L55-P57 VanDerWaalsContact C-CD 3.45Å | ||
| 56 | K | 98.1 | Very high | 98.4 | Very high | 186 Ų | 186 | 52.7 Ų | 52.7 | 81% | 0.809 | 29% | 0.288 | S | S | * | . | trans | -129.1 | 58.7 | -175.9 | -58.8 | -177.9 | -176 | 178.7 | 0 | 112.5 | ||||
| 57 | P | 98.4 | Very high | 98.4 | Very high | 8 Ų | 8 | 56 Ų | 56 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | trans | -66.1 | 146.5 | 172.6 | 32.2 | -36.4 | 0 | 0 | 0 | 110.4 | V22 V33 L35 V47 L50 L55 | V22-P57 HydrophobicContact CG1-CB 3.77Å; V33-P57 WeakPolarHBondContact O-CA 3.39Å; L35-P57 HydrophobicContact CB-CB 4.49Å; V47-P57 HydrophobicContact CB-CG 4.48Å; V47-P57 HydrophobicContact CG1-CG 4.3Å; V47-P57 HydrophobicContact CG2-CG 4.25Å; L50-P57 HydrophobicContact CB-CG 3.8Å; L50-P57 HydrophobicContact CD1-CB 4.28Å; L50-P57 HydrophobicContact CD1-CG 3.72Å; L50-P57 HydrophobicContact CG-CG 4.42Å; L55-P57 VanDerWaalsContact C-CD 3.45Å | ||
| 58 | L | 98.7 | Very high | 98.4 | Very high | 60 Ų | 60 | 60.2 Ų | 60.2 | 31% | 0.314 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 155.2 | 168.8 | -59.7 | 178.3 | 0 | 0 | 0 | 109.6 | D32 V33 Y34 L35 | D32-L58 HydrophobicContact CB-CD1 3.94Å; V33-L58 PolarHBondContact O-N 2.82Å; Y34-L58 WeakPolarHBondContact CA-O 3.27Å; Y34-L58 HydrophobicContact CD1-CB 3.93Å; Y34-L58 HydrophobicContact CD2-CB 4.21Å; Y34-L58 HydrophobicContact CD2-CD1 4.42Å; Y34-L58 HydrophobicContact CE1-CB 3.69Å; Y34-L58 HydrophobicContact CE1-CD1 4.41Å; Y34-L58 HydrophobicContact CE2-CB 4Å; Y34-L58 HydrophobicContact CE2-CD1 3.61Å; Y34-L58 HydrophobicContact CE2-CG 4.42Å; Y34-L58 HydrophobicContact CG-CB 4.2Å; L35-L58 PolarHBondContact N-O 3.05Å |
| 59 | F | 98.7 | Very high | 98.4 | Very high | 50 Ų | 50 | 56 Ų | 56 | 22% | 0.219 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 140.2 | 175.2 | -178.2 | -111.6 | 0 | 0 | 0 | 111.7 | L35 A37 V40 V47 Q61 | L35-F59 HydrophobicContact CD2-CD2 3.86Å; L35-F59 HydrophobicContact CD2-CE2 4.18Å; L35-F59 WeakPolarHBondContact O-CA 3.24Å; L35-F59 WeakPolarHBondContact O-CD2 3.38Å; A37-F59 HydrophobicContact CB-CE2 3.98Å; A37-F59 HydrophobicContact CB-CZ 4.48Å; V40-F59 HydrophobicContact CB-CE1 4.35Å; V40-F59 HydrophobicContact CG1-CE1 4.03Å; V40-F59 HydrophobicContact CG2-CE1 4.28Å; V47-F59 HydrophobicContact CG2-CB 3.97Å; F59-Q61 HydrophobicContact CE1-CB 4.21Å; F59-Q61 HydrophobicContact CZ-CB 4.22Å |
| 60 | H | 98.7 | Very high | 98.4 | Very high | 30 Ų | 30 | 54 Ų | 54 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 134.9 | 160.4 | -167.4 | -72.2 | 0 | 0 | 0 | 109.6 | Y34 L35 T36 L62 F76 F77 | Y34-H60 HydrophobicContact CD1-CB 3.69Å; Y34-H60 HydrophobicContact CE1-CB 4Å; L35-H60 PolarHBondContact O-N 2.93Å; L35-H60 VanDerWaalsContact O-N 3.15Å; T36-H60 VanDerWaalsContact CA-O 3.24Å; T36-H60 WeakPolarHBondContact CA-O 3.32Å; T36-H60 VanDerWaalsContact CB-O 3.27Å; T36-H60 WeakPolarHBondContact CB-O 3.5Å; T36-H60 HydrophobicContact CG2-CB 4.47Å; H60-L62 PolarHBondContact O-N 3.39Å; H60-F76 AromaticContact CD2-CD1 3.38Å; H60-F76 WeakPolarHBondContact CD2-CD1 3.43Å; H60-F76 AromaticContact CD2-CE1 3.68Å; H60-F76 AromaticContact CD2-CG 3.56Å; H60-F76 AromaticContact NE2-CD1 3.73Å; H60-F76 AromaticContact NE2-CD2 3.97Å; H60-F76 AromaticContact NE2-CG 3.47Å; H60-F76 WeakPolarHBondContact NE2-CG 3.29Å; H60-F77 HydrophobicContact CB-CZ 4.38Å |
| 61 | Q | 98.6 | Very high | 98.4 | Very high | 61 Ų | 61 | 58.6 Ų | 58.6 | 29% | 0.285 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 132.7 | 176.2 | -168 | -79.9 | -15 | 0 | 0 | 109.6 | A37 R38 V40 F59 S69 | A37-Q61 WeakPolarHBondContact O-CA 3.27Å; R38-Q61 PolarHBondContact O-NE2 3.34Å; V40-Q61 HydrophobicContact CG2-CB 4.19Å; V40-Q61 HydrophobicContact CG2-CG 3.82Å; F59-Q61 HydrophobicContact CE1-CB 4.21Å; F59-Q61 HydrophobicContact CZ-CB 4.22Å; Q61-S69 PolarHBondContact OE1-OG 3.07Å |
| 62 | L | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | trans | -148.4 | 110.7 | 173.2 | 178.2 | 58.1 | 0 | 0 | 0 | 109.7 | T11 T36 A37 R38 H60 I64 I70 A73 | T11-L62 HydrophobicContact CG2-CD2 3.77Å; T36-L62 HydrophobicContact CG2-CB 4.41Å; A37-L62 CarbonylContact C-O 3.25Å; A37-L62 VanDerWaalsContact C-O 3.25Å; A37-L62 PolarHBondContact O-N 2.99Å; R38-L62 WeakPolarHBondContact CA-O 3.42Å; R38-L62 PolarHBondContact N-O 3.38Å; H60-L62 PolarHBondContact O-N 3.39Å; L62-I64 HydrophobicContact CD2-CG2 4.17Å; L62-I64 HydrophobicContact CG-CG2 4.01Å; L62-I70 HydrophobicContact CD1-CG1 4.06Å; L62-A73 HydrophobicContact CD1-CB 4.01Å | ||
| 63 | N | 98.3 | Very high | 98.4 | Very high | 43 Ų | 43 | 52.6 Ų | 52.6 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | trans | -98.7 | 102.3 | 166 | -179.7 | 16.4 | 0 | 0 | 0 | 109.1 | R38 N65 D66 S69 | R38-N63 HydrophobicContact CB-CB 3.88Å; N63-N65 PolarHBondContact O-N 2.95Å; N63-N65 VanDerWaalsContact O-N 3.1Å; N63-N65 PolarHBondContact OD1-N 3.02Å; N63-D66 HydrophobicContact CB-CB 4.18Å; N63-D66 PolarHBondContact O-N 3.3Å; N63-S69 PolarHBondContact N-OG 3.31Å | ||
| 64 | I | 97.7 | Very high | 98.4 | Very high | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.046 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17.8 | -178.6 | 65.6 | 158.3 | 0 | 0 | 0 | 113.5 | L62 D66 I70 A91 T113 A117 V121 | L62-I64 HydrophobicContact CD2-CG2 4.17Å; L62-I64 HydrophobicContact CG-CG2 4.01Å; I64-D66 PolarHBondContact O-N 3.49Å; I64-I70 VanDerWaalsContact O-CD1 3.32Å; I64-I70 WeakPolarHBondContact O-CD1 2.95Å; I64-A91 HydrophobicContact CD1-CB 3.52Å; I64-A91 HydrophobicContact CG1-CB 4Å; I64-A91 HydrophobicContact CG2-CB 3.99Å; I64-T113 HydrophobicContact CD1-CG2 3.94Å; I64-T113 WeakPolarHBondContact CD1-O 3.48Å; I64-T113 HydrophobicContact CG1-CG2 4.39Å; I64-A117 HydrophobicContact CB-CB 4.2Å; I64-A117 HydrophobicContact CD1-CB 3.87Å; I64-A117 HydrophobicContact CG1-CB 3.98Å; I64-A117 WeakPolarHBondContact O-CB 3.24Å; I64-V121 HydrophobicContact CB-CG2 3.86Å; I64-V121 HydrophobicContact CG2-CG2 3.56Å |
| 65 | N | 97.8 | Very high | 98.4 | Very high | 45 Ų | 45 | 48 Ų | 48 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 4.1 | 175.3 | -77.6 | -45.6 | 0 | 0 | 0 | 113.3 | N63 R112 T113 A117 | N63-N65 PolarHBondContact O-N 2.95Å; N63-N65 VanDerWaalsContact O-N 3.1Å; N63-N65 PolarHBondContact OD1-N 3.02Å; N65-R112 PolarHBondContact OD1-NH1 3.39Å; N65-T113 WeakPolarHBondContact ND2-CG2 3.18Å; N65-T113 PolarHBondContact ND2-OG1 2.89Å; N65-T113 WeakPolarHBondContact OD1-CA 3.5Å; N65-T113 PolarHBondContact OD1-OG1 3.47Å; N65-A117 WeakPolarHBondContact OD1-CB 3.25Å |
| 66 | D | 98.4 | Very high | 98.4 | Very high | 64 Ų | 64 | 50 Ų | 50 | 34% | 0.342 | 26% | 0.257 | S | S | . | . | trans | -125.9 | 112.6 | 178.7 | 173.9 | 3.7 | 0 | 0 | 0 | 109.6 | N63 I64 N68 S69 I70 | N63-D66 HydrophobicContact CB-CB 4.18Å; N63-D66 PolarHBondContact O-N 3.3Å; I64-D66 PolarHBondContact O-N 3.49Å; D66-N68 PolarHBondContact O-N 2.92Å; D66-N68 WeakPolarHBondContact OD1-CB 3.04Å; D66-N68 PolarHBondContact OD1-N 2.86Å; D66-S69 WeakPolarHBondContact O-CB 3.13Å; D66-S69 PolarHBondContact O-N 3.43Å; D66-S69 VanDerWaalsContact O-N 3.16Å; D66-S69 PolarHBondContact OD1-N 3.12Å; D66-I70 WeakPolarHBondContact O-CG1 3.38Å; D66-I70 PolarHBondContact O-N 2.98Å | ||
| 67 | L | 98.1 | Very high | 98.4 | Very high | 74 Ų | 74 | 41.2 Ų | 41.2 | 39% | 0.387 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61 | -33.2 | -177.8 | -171.8 | 63.1 | 0 | 0 | 0 | 112.7 | I70 K71 H124 | L67-I70 PolarHBondContact O-N 2.84Å; L67-K71 HydrophobicContact CG-CD 4.41Å; L67-K71 WeakPolarHBondContact O-CG 3.46Å; L67-K71 PolarHBondContact O-N 2.91Å; L67-H124 VanDerWaalsContact CD1-NE2 3.34Å; L67-H124 WeakPolarHBondContact CD1-NE2 3.47Å |
| 68 | N | 98.5 | Very high | 98.4 | Very high | 109 Ų | 109 | 47 Ų | 47 | 58% | 0.583 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -70.5 | -42.2 | 177.6 | -71.1 | -28.3 | 0 | 0 | 0 | 110.4 | D66 I70 K71 T72 | D66-N68 PolarHBondContact O-N 2.92Å; D66-N68 WeakPolarHBondContact OD1-CB 3.04Å; D66-N68 PolarHBondContact OD1-N 2.86Å; N68-I70 VanDerWaalsContact C-N 3.3Å; N68-I70 PolarHBondContact O-N 3.33Å; N68-K71 PolarHBondContact O-N 3.38Å; N68-T72 WeakPolarHBondContact O-CB 3.42Å; N68-T72 PolarHBondContact O-N 2.96Å; N68-T72 PolarHBondContact O-OG1 2.85Å; N68-T72 VanDerWaalsContact O-OG1 3.06Å |
| 69 | S | 98.7 | Very high | 98.3 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.7 | -42.1 | 172.9 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | Q61 N63 D66 A73 | Q61-S69 PolarHBondContact OE1-OG 3.07Å; N63-S69 PolarHBondContact N-OG 3.31Å; D66-S69 WeakPolarHBondContact O-CB 3.13Å; D66-S69 PolarHBondContact O-N 3.43Å; D66-S69 VanDerWaalsContact O-N 3.16Å; D66-S69 PolarHBondContact OD1-N 3.12Å; S69-A73 WeakPolarHBondContact O-CB 3.34Å; S69-A73 PolarHBondContact O-N 2.8Å |
| 70 | I | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -50.1 | 174.6 | -65.8 | 166.7 | 0 | 0 | 0 | 111.2 | L62 I64 D66 L67 N68 T72 A73 A74 D120 V121 H124 F125 | L62-I70 HydrophobicContact CD1-CG1 4.06Å; I64-I70 VanDerWaalsContact O-CD1 3.32Å; I64-I70 WeakPolarHBondContact O-CD1 2.95Å; D66-I70 WeakPolarHBondContact O-CG1 3.38Å; D66-I70 PolarHBondContact O-N 2.98Å; L67-I70 PolarHBondContact O-N 2.84Å; N68-I70 VanDerWaalsContact C-N 3.3Å; N68-I70 PolarHBondContact O-N 3.33Å; I70-T72 PolarHBondContact O-N 3.27Å; I70-A73 PolarHBondContact O-N 2.95Å; I70-A74 WeakPolarHBondContact O-CB 3.4Å; I70-A74 PolarHBondContact O-N 2.85Å; I70-D120 HydrophobicContact CD1-CB 3.88Å; I70-V121 HydrophobicContact CD1-CG2 3.9Å; I70-V121 HydrophobicContact CG1-CG2 4Å; I70-H124 HydrophobicContact CG2-CB 3.68Å; I70-F125 HydrophobicContact CG2-CD2 4.49Å; I70-F125 HydrophobicContact CG2-CE2 4.3Å |
| 71 | K | 98.6 | Very high | 98.1 | Very high | 97 Ų | 97 | 53 Ų | 53 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | -179.2 | -74.6 | 172.5 | 178.4 | 175.7 | 0 | 112 | L67 N68 A74 A75 | L67-K71 HydrophobicContact CG-CD 4.41Å; L67-K71 WeakPolarHBondContact O-CG 3.46Å; L67-K71 PolarHBondContact O-N 2.91Å; N68-K71 PolarHBondContact O-N 3.38Å; K71-A74 PolarHBondContact O-N 3.24Å; K71-A75 WeakPolarHBondContact O-CB 3.41Å; K71-A75 PolarHBondContact O-N 3.11Å |
| 72 | T | 98.7 | Very high | 97.9 | Very high | 89 Ų | 89 | 52.4 Ų | 52.4 | 55% | 0.546 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 176.2 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | N68 I70 A75 F76 | N68-T72 WeakPolarHBondContact O-CB 3.42Å; N68-T72 PolarHBondContact O-N 2.96Å; N68-T72 PolarHBondContact O-OG1 2.85Å; N68-T72 VanDerWaalsContact O-OG1 3.06Å; I70-T72 PolarHBondContact O-N 3.27Å; T72-A75 PolarHBondContact O-N 3.17Å; T72-F76 WeakPolarHBondContact O-CB 3.44Å; T72-F76 PolarHBondContact O-N 2.93Å |
| 73 | A | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L62 S69 I70 A75 F76 F77 F125 | L62-A73 HydrophobicContact CD1-CB 4.01Å; S69-A73 WeakPolarHBondContact O-CB 3.34Å; S69-A73 PolarHBondContact O-N 2.8Å; I70-A73 PolarHBondContact O-N 2.95Å; A73-A75 PolarHBondContact O-N 3.46Å; A73-F76 WeakPolarHBondContact O-CB 3.33Å; A73-F76 PolarHBondContact O-N 3.02Å; A73-F77 HydrophobicContact CB-CE2 4.45Å; A73-F77 WeakPolarHBondContact O-CD2 3.49Å; A73-F77 PolarHBondContact O-N 3.23Å; A73-F125 HydrophobicContact CB-CE2 4.47Å; A73-F125 HydrophobicContact CB-CZ 4.03Å |
| 74 | A | 98.5 | Very high | 97.7 | Very high | 9 Ų | 9 | 50.2 Ų | 50.2 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I70 K71 F77 K78 H124 F125 L128 | I70-A74 WeakPolarHBondContact O-CB 3.4Å; I70-A74 PolarHBondContact O-N 2.85Å; K71-A74 PolarHBondContact O-N 3.24Å; A74-F77 PolarHBondContact O-N 2.96Å; A74-K78 WeakPolarHBondContact O-CB 3.43Å; A74-K78 PolarHBondContact O-N 2.88Å; A74-H124 HydrophobicContact CB-CB 4.27Å; A74-F125 HydrophobicContact CB-CD2 4.13Å; A74-F125 HydrophobicContact CB-CE2 3.83Å; A74-F125 HydrophobicContact CB-CZ 4.28Å; A74-L128 HydrophobicContact CB-CD1 3.8Å; A74-L128 VanDerWaalsContact O-CD1 3.26Å; A74-L128 WeakPolarHBondContact O-CD1 3.22Å |
| 75 | A | 98.5 | Very high | 97.7 | Very high | 40 Ų | 40 | 50.7 Ų | 50.7 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K71 T72 A73 F77 K78 E79 | K71-A75 WeakPolarHBondContact O-CB 3.41Å; K71-A75 PolarHBondContact O-N 3.11Å; T72-A75 PolarHBondContact O-N 3.17Å; A73-A75 PolarHBondContact O-N 3.46Å; A75-F77 PolarHBondContact O-N 2.92Å; A75-K78 PolarHBondContact O-N 2.92Å; A75-E79 WeakPolarHBondContact O-CB 3.13Å; A75-E79 WeakPolarHBondContact O-CG 3.47Å; A75-E79 PolarHBondContact O-N 3.18Å |
| 76 | F | 98.6 | Very high | 97.6 | Very high | 60 Ų | 60 | 49.4 Ų | 49.4 | 26% | 0.263 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -54.7 | -49.8 | 176.8 | 171.6 | -94.2 | 0 | 0 | 0 | 112.6 | Y34 H60 T72 A73 E79 K80 Y81 | Y34-F76 AromaticContact CE1-CE1 3.79Å; Y34-F76 HydrophobicContact CE1-CE1 3.79Å; Y34-F76 HydrophobicContact CE1-CZ 4.16Å; Y34-F76 AromaticContact CZ-CE1 3.71Å; Y34-F76 AromaticContact CZ-CZ 3.99Å; Y34-F76 WeakPolarHBondContact OH-CE1 3.27Å; Y34-F76 WeakPolarHBondContact OH-CZ 3.5Å; H60-F76 AromaticContact CD2-CD1 3.38Å; H60-F76 WeakPolarHBondContact CD2-CD1 3.43Å; H60-F76 AromaticContact CD2-CE1 3.68Å; H60-F76 AromaticContact CD2-CG 3.56Å; H60-F76 AromaticContact NE2-CD1 3.73Å; H60-F76 AromaticContact NE2-CD2 3.97Å; H60-F76 AromaticContact NE2-CG 3.47Å; H60-F76 WeakPolarHBondContact NE2-CG 3.29Å; T72-F76 WeakPolarHBondContact O-CB 3.44Å; T72-F76 PolarHBondContact O-N 2.93Å; A73-F76 WeakPolarHBondContact O-CB 3.33Å; A73-F76 PolarHBondContact O-N 3.02Å; F76-E79 PolarHBondContact O-N 3.23Å; F76-K80 HydrophobicContact CE1-CD 4.19Å; F76-K80 HydrophobicContact CE2-CD 3.98Å; F76-K80 HydrophobicContact CZ-CD 3.53Å; F76-K80 VanDerWaalsContact O-CB 3.27Å; F76-K80 WeakPolarHBondContact O-CB 3.48Å; F76-K80 PolarHBondContact O-N 3.28Å; F76-Y81 HydrophobicContact CE1-CE2 4.34Å |
| 77 | F | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.8 | -34.6 | -179.3 | -70.2 | -65.1 | 0 | 0 | 0 | 112.6 | V7 V9 Y34 H60 A73 A74 A75 Y81 G82 G83 V84 F125 | V7-F77 HydrophobicContact CG2-CD1 4.21Å; V7-F77 HydrophobicContact CG2-CE1 4.1Å; V9-F77 HydrophobicContact CB-CZ 4.36Å; V9-F77 HydrophobicContact CG1-CE2 3.91Å; V9-F77 HydrophobicContact CG1-CZ 3.89Å; V9-F77 HydrophobicContact CG2-CD1 3.94Å; V9-F77 HydrophobicContact CG2-CD2 4.22Å; V9-F77 HydrophobicContact CG2-CE1 3.54Å; V9-F77 HydrophobicContact CG2-CE2 3.85Å; V9-F77 HydrophobicContact CG2-CG 4.29Å; V9-F77 HydrophobicContact CG2-CZ 3.5Å; V9-F77 VanDerWaalsContact CG2-CZ 3.5Å; Y34-F77 AromaticContact CD1-CE1 3.97Å; Y34-F77 HydrophobicContact CD1-CE1 3.97Å; Y34-F77 AromaticContact CD1-CZ 3.9Å; Y34-F77 HydrophobicContact CD1-CZ 3.9Å; Y34-F77 AromaticContact CD2-CE1 3.6Å; Y34-F77 HydrophobicContact CD2-CE1 3.6Å; Y34-F77 HydrophobicContact CD2-CZ 4.22Å; Y34-F77 HydrophobicContact CE1-CE1 4.21Å; Y34-F77 HydrophobicContact CE1-CZ 4.42Å; Y34-F77 AromaticContact CE2-CE1 3.86Å; Y34-F77 HydrophobicContact CE2-CE1 3.86Å; Y34-F77 AromaticContact CG-CE1 3.63Å; Y34-F77 HydrophobicContact CG-CE1 3.63Å; Y34-F77 AromaticContact CG-CZ 3.76Å; Y34-F77 HydrophobicContact CG-CZ 3.76Å; H60-F77 HydrophobicContact CB-CZ 4.38Å; A73-F77 HydrophobicContact CB-CE2 4.45Å; A73-F77 WeakPolarHBondContact O-CD2 3.49Å; A73-F77 PolarHBondContact O-N 3.23Å; A74-F77 PolarHBondContact O-N 2.96Å; A75-F77 PolarHBondContact O-N 2.92Å; F77-Y81 AromaticContact CD1-CD2 3.89Å; F77-Y81 HydrophobicContact CD1-CD2 3.89Å; F77-Y81 HydrophobicContact CD1-CE2 4.13Å; F77-Y81 HydrophobicContact CE1-CE2 4.45Å; F77-Y81 WeakPolarHBondContact O-CB 3.37Å; F77-Y81 PolarHBondContact O-N 3.03Å; F77-G82 PolarHBondContact O-N 2.88Å; F77-G83 PolarHBondContact O-N 3.48Å; F77-V84 HydrophobicContact CB-CG1 3.68Å; F77-V84 HydrophobicContact CD1-CG1 4.26Å; F77-V84 HydrophobicContact CD2-CG1 4.42Å; F77-V84 HydrophobicContact CG-CG1 3.88Å; F77-F125 AromaticContact CD2-CE1 3.6Å; F77-F125 HydrophobicContact CD2-CE1 3.6Å; F77-F125 AromaticContact CD2-CZ 3.88Å; F77-F125 HydrophobicContact CD2-CZ 3.88Å; F77-F125 HydrophobicContact CE2-CE1 4.11Å; F77-F125 HydrophobicContact CE2-CZ 4.23Å; F77-F125 HydrophobicContact CG-CE1 4.49Å |
| 78 | K | 97.1 | Very high | 97.5 | Very high | 130 Ų | 130 | 43.7 Ų | 43.7 | 57% | 0.565 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.2 | -48.2 | 173.8 | -173.3 | -178.3 | -178.3 | -179.7 | 0 | 111.3 | A74 A75 G82 L128 | A74-K78 WeakPolarHBondContact O-CB 3.43Å; A74-K78 PolarHBondContact O-N 2.88Å; A75-K78 PolarHBondContact O-N 2.92Å; K78-G82 WeakPolarHBondContact O-CA 3.26Å; K78-G82 PolarHBondContact O-N 3.36Å; K78-L128 HydrophobicContact CB-CD1 4.24Å; K78-L128 HydrophobicContact CB-CD2 4.01Å; K78-L128 HydrophobicContact CD-CD2 3.82Å; K78-L128 HydrophobicContact CG-CD2 3.95Å |
| 79 | E | 97 | Very high | 97.4 | Very high | 162 Ų | 162 | 38.7 Ų | 38.7 | 76% | 0.757 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -69.3 | -45.3 | -177.1 | -72.4 | 171.7 | -169.7 | 0 | 0 | 112 | A75 F76 | A75-E79 WeakPolarHBondContact O-CB 3.13Å; A75-E79 WeakPolarHBondContact O-CG 3.47Å; A75-E79 PolarHBondContact O-N 3.18Å; F76-E79 PolarHBondContact O-N 3.23Å |
| 80 | K | 96.6 | Very high | 97.2 | Very high | 100 Ų | 100 | 38.6 Ų | 38.6 | 44% | 0.435 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -78.9 | -36.3 | -174.8 | -174 | 172.8 | 176.1 | -164.5 | 0 | 113.6 | Y34 F76 | Y34-K80 PolarHBondContact OH-NZ 3.35Å; F76-K80 HydrophobicContact CE1-CD 4.19Å; F76-K80 HydrophobicContact CE2-CD 3.98Å; F76-K80 HydrophobicContact CZ-CD 3.53Å; F76-K80 VanDerWaalsContact O-CB 3.27Å; F76-K80 WeakPolarHBondContact O-CB 3.48Å; F76-K80 PolarHBondContact O-N 3.28Å |
| 81 | Y | 96.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -121.2 | -3.3 | -170.2 | -63.7 | -79.2 | 0 | 0 | 0 | 113.9 | T5 V7 D32 Y34 F76 F77 G83 K130 | T5-Y81 HydrophobicContact CG2-CE1 4.35Å; T5-Y81 VanDerWaalsContact O-CD1 3.25Å; T5-Y81 WeakPolarHBondContact O-CD1 3.47Å; V7-Y81 HydrophobicContact CB-CD1 3.86Å; V7-Y81 HydrophobicContact CB-CD2 4.13Å; V7-Y81 HydrophobicContact CB-CE1 4.07Å; V7-Y81 HydrophobicContact CB-CE2 4.34Å; V7-Y81 HydrophobicContact CB-CG 3.89Å; V7-Y81 HydrophobicContact CG1-CD1 4.16Å; V7-Y81 HydrophobicContact CG1-CD2 4.03Å; V7-Y81 HydrophobicContact CG1-CG 3.73Å; V7-Y81 HydrophobicContact CG2-CD1 4.47Å; V7-Y81 HydrophobicContact CG2-CD2 4.11Å; V7-Y81 HydrophobicContact CG2-CE1 4.32Å; V7-Y81 HydrophobicContact CG2-CE2 3.95Å; V7-Y81 HydrophobicContact CG2-CG 4.37Å; D32-Y81 HydrophobicContact CB-CE1 4.2Å; D32-Y81 VanDerWaalsContact OD2-CE1 3.27Å; D32-Y81 WeakPolarHBondContact OD2-CE1 3.4Å; D32-Y81 VanDerWaalsContact OD2-CZ 3.29Å; D32-Y81 PolarHBondContact OD2-OH 2.84Å; Y34-Y81 AromaticContact CE2-CE2 3.68Å; Y34-Y81 HydrophobicContact CE2-CE2 3.68Å; Y34-Y81 AromaticContact CE2-CZ 3.75Å; Y34-Y81 VanDerWaalsContact CE2-OH 3.28Å; Y34-Y81 WeakPolarHBondContact CE2-OH 3.28Å; Y34-Y81 PolarHBondContact OH-OH 3.16Å; F76-Y81 HydrophobicContact CE1-CE2 4.34Å; F77-Y81 AromaticContact CD1-CD2 3.89Å; F77-Y81 HydrophobicContact CD1-CD2 3.89Å; F77-Y81 HydrophobicContact CD1-CE2 4.13Å; F77-Y81 HydrophobicContact CE1-CE2 4.45Å; F77-Y81 WeakPolarHBondContact O-CB 3.37Å; F77-Y81 PolarHBondContact O-N 3.03Å; Y81-G83 VanDerWaalsContact CB-O 3.25Å; Y81-G83 WeakPolarHBondContact CB-O 3.37Å; Y81-G83 PolarHBondContact O-N 3.28Å; Y81-K130 WeakPolarHBondContact O-CE 3.4Å; Y81-K130 PolarHBondContact O-NZ 3.06Å |
| 82 | G | 95.2 | Very high | 96.7 | Very high | 49 Ų | 49 | 35.8 Ų | 35.8 | 51% | 0.505 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 71.4 | 9.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F77 K78 | F77-G82 PolarHBondContact O-N 2.88Å; K78-G82 WeakPolarHBondContact O-CA 3.26Å; K78-G82 PolarHBondContact O-N 3.36Å |
| 83 | G | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 135.2 | -169.9 | -173 | 0 | 0 | 0 | 0 | 0 | 112.6 | V7 F77 Y81 L128 K130 | V7-G83 WeakPolarHBondContact CG1-O 3.39Å; F77-G83 PolarHBondContact O-N 3.48Å; Y81-G83 VanDerWaalsContact CB-O 3.25Å; Y81-G83 WeakPolarHBondContact CB-O 3.37Å; Y81-G83 PolarHBondContact O-N 3.28Å; G83-L128 CarbonylContact C-O 3.51Å; G83-L128 WeakPolarHBondContact CA-O 3.43Å; G83-K130 VanDerWaalsContact C-CE 3.48Å; G83-K130 VanDerWaalsContact O-CE 3.29Å; G83-K130 WeakPolarHBondContact O-CE 3.36Å |
| 84 | V | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 145.3 | 178.2 | -57.2 | 0 | 0 | 0 | 0 | 112 | V7 V9 F77 L87 F125 L128 I129 K130 | V7-V84 HydrophobicContact CG1-CB 4.16Å; V7-V84 HydrophobicContact CG1-CG1 4.1Å; V9-V84 HydrophobicContact CG2-CG1 3.91Å; F77-V84 HydrophobicContact CB-CG1 3.68Å; F77-V84 HydrophobicContact CD1-CG1 4.26Å; F77-V84 HydrophobicContact CD2-CG1 4.42Å; F77-V84 HydrophobicContact CG-CG1 3.88Å; V84-L87 HydrophobicContact CG2-CB 4.48Å; V84-F125 HydrophobicContact CG1-CD1 4.33Å; V84-F125 HydrophobicContact CG1-CE1 4.37Å; V84-F125 HydrophobicContact CG2-CD1 4.41Å; V84-L128 PolarHBondContact N-O 3.06Å; V84-I129 HydrophobicContact CG2-CD1 3.4Å; V84-I129 VanDerWaalsContact CG2-CD1 3.4Å; V84-I129 WeakPolarHBondContact O-CA 3.22Å; V84-K130 PolarHBondContact O-N 3.44Å |
| 85 | D | 96.8 | Very high | 95.7 | Very high | 19 Ų | 19 | 39.3 Ų | 39.3 | 10% | 0.102 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -34.9 | 179.7 | -60.7 | -99.8 | 0 | 0 | 0 | 111.4 | K6 V7 W29 K130 G133 T134 | K6-D85 VanDerWaalsContact CA-OD2 3.27Å; K6-D85 WeakPolarHBondContact CA-OD2 3.48Å; V7-D85 PolarHBondContact N-OD2 3Å; V7-D85 WeakPolarHBondContact O-CB 3.47Å; V7-D85 PolarHBondContact O-N 2.83Å; W29-D85 HydrophobicContact CH2-CB 4.06Å; W29-D85 HydrophobicContact CZ2-CB 3.72Å; D85-K130 IonicContact OD2-NZ 2.74Å; D85-K130 PolarHBondContact OD2-NZ 3.1Å; D85-G133 CarbonylContact O-C 3.56Å; D85-G133 WeakPolarHBondContact O-CA 3.45Å; D85-T134 PolarHBondContact O-N 2.86Å |
| 86 | I | 96.8 | Very high | 95.3 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 127.2 | 174 | -62.1 | 177.9 | 0 | 0 | 0 | 109.2 | V7 A8 V9 L25 W29 I88 T134 | V7-I86 PolarHBondContact O-N 2.74Å; V7-I86 VanDerWaalsContact O-N 3.15Å; A8-I86 CarbonylContact C-O 3.47Å; A8-I86 WeakPolarHBondContact CA-O 3.37Å; A8-I86 HydrophobicContact CB-CB 3.78Å; A8-I86 HydrophobicContact CB-CD1 4.34Å; A8-I86 HydrophobicContact CB-CG1 4.46Å; A8-I86 HydrophobicContact CB-CG2 4.31Å; V9-I86 PolarHBondContact N-O 2.89Å; L25-I86 HydrophobicContact CD2-CD1 4.28Å; W29-I86 HydrophobicContact CD2-CD1 4.09Å; W29-I86 HydrophobicContact CE3-CD1 3.66Å; W29-I86 HydrophobicContact CH2-CD1 3.71Å; W29-I86 HydrophobicContact CH2-CG1 3.96Å; W29-I86 HydrophobicContact CZ2-CD1 4.12Å; W29-I86 HydrophobicContact CZ2-CG1 4.28Å; W29-I86 HydrophobicContact CZ3-CD1 3.48Å; W29-I86 VanDerWaalsContact CZ3-CD1 3.48Å; W29-I86 HydrophobicContact CZ3-CG1 4.22Å; I86-I88 HydrophobicContact CG2-CD1 3.6Å; I86-I88 HydrophobicContact CG2-CG1 3.84Å; I86-T134 WeakPolarHBondContact CA-O 3.45Å |
| 87 | L | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.9 | 165.2 | 179.2 | 65.7 | 0 | 0 | 0 | 109.9 | V9 T11 V84 V121 L122 F125 I129 T134 N135 T136 | V9-L87 HydrophobicContact CB-CD1 4.26Å; V9-L87 HydrophobicContact CG1-CD1 4.43Å; T11-L87 HydrophobicContact CG2-CD1 4.3Å; V84-L87 HydrophobicContact CG2-CB 4.48Å; L87-V121 HydrophobicContact CD2-CG1 4.34Å; L87-L122 HydrophobicContact CD2-CD2 4.24Å; L87-F125 HydrophobicContact CD1-CD1 4.1Å; L87-F125 HydrophobicContact CD1-CE1 4.5Å; L87-F125 HydrophobicContact CD2-CB 3.61Å; L87-F125 HydrophobicContact CD2-CD1 4.29Å; L87-F125 HydrophobicContact CD2-CG 4.12Å; L87-I129 HydrophobicContact CB-CD1 4.11Å; L87-T134 PolarHBondContact N-O 3.21Å; L87-N135 WeakPolarHBondContact CD2-OD1 3.37Å; L87-N135 WeakPolarHBondContact O-CA 3.48Å; L87-N135 PolarHBondContact O-OD1 3.14Å; L87-T136 PolarHBondContact O-N 3.23Å |
| 88 | I | 96.8 | Very high | 94.7 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 9% | 0.087 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 110.9 | 173.1 | -51.4 | -59.1 | 0 | 0 | 0 | 109.4 | V9 V10 T11 V21 I86 N90 T136 L138 | V9-I88 PolarHBondContact O-N 3.4Å; V10-I88 HydrophobicContact CB-CB 4.34Å; V10-I88 HydrophobicContact CG1-CB 4Å; V10-I88 HydrophobicContact CG1-CG2 4.1Å; V10-I88 HydrophobicContact CG2-CB 4.2Å; V10-I88 HydrophobicContact CG2-CG1 4.13Å; T11-I88 PolarHBondContact N-O 3.07Å; T11-I88 PolarHBondContact OG1-O 3.08Å; V21-I88 HydrophobicContact CG1-CG1 4.28Å; V21-I88 HydrophobicContact CG1-CG2 4.5Å; I86-I88 HydrophobicContact CG2-CD1 3.6Å; I86-I88 HydrophobicContact CG2-CG1 3.84Å; I88-N90 HydrophobicContact CG2-CB 4.16Å; I88-N90 PolarHBondContact O-N 2.86Å; I88-T136 WeakPolarHBondContact CA-O 3.44Å; I88-L138 HydrophobicContact CG2-CB 3.95Å; I88-L138 HydrophobicContact CG2-CD2 4.21Å |
| 89 | N | 94.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.027 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 92.6 | 175.3 | -57.8 | -74.3 | 0 | 0 | 0 | 109.5 | L122 N135 T136 L138 | N89-L122 WeakPolarHBondContact ND2-CD2 3.19Å; N89-N135 PolarHBondContact ND2-OD1 2.87Å; N89-T136 PolarHBondContact N-O 3.43Å; N89-L138 CarbonylContact O-C 3.47Å; N89-L138 WeakPolarHBondContact O-CA 3.49Å; N89-L138 PolarHBondContact O-N 2.94Å |
| 90 | N | 95.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.043 | 30% | 0.303 | C | S | . | . | trans | -116.6 | -19.3 | -176.3 | 160.4 | 93 | 0 | 0 | 0 | 113.2 | V10 T11 G12 G18 I88 A92 L138 | V10-N90 HydrophobicContact CG1-CB 4.23Å; T11-N90 CarbonylContact O-C 3.46Å; T11-N90 WeakPolarHBondContact O-CB 3.42Å; T11-N90 PolarHBondContact O-ND2 2.85Å; T11-N90 PolarHBondContact OG1-N 2.89Å; G12-N90 PolarHBondContact O-ND2 2.83Å; G18-N90 WeakPolarHBondContact CA-ND2 3.37Å; G18-N90 WeakPolarHBondContact CA-OD1 3.49Å; G18-N90 PolarHBondContact N-OD1 2.81Å; G18-N90 VanDerWaalsContact N-OD1 3.12Å; I88-N90 HydrophobicContact CG2-CB 4.16Å; I88-N90 PolarHBondContact O-N 2.86Å; N90-A92 PolarHBondContact O-N 3.06Å; N90-L138 HydrophobicContact CB-CB 4.39Å; N90-L138 HydrophobicContact CB-CD2 4.47Å | ||
| 91 | A | 93.4 | Very high | 94.5 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | trans | -59.5 | 116 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 | T11 I64 | T11-A91 PolarHBondContact O-N 3.1Å; T11-A91 VanDerWaalsContact O-N 3.11Å; T11-A91 WeakPolarHBondContact OG1-CB 3.23Å; T11-A91 PolarHBondContact OG1-N 3.3Å; I64-A91 HydrophobicContact CD1-CB 3.52Å; I64-A91 HydrophobicContact CG1-CB 4Å; I64-A91 HydrophobicContact CG2-CB 3.99Å | ||
| 92 | A | 93 | Very high | 94.5 | Very high | 28 Ų | 28 | 49.7 Ų | 49.7 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | trans | -153.7 | 155 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N90 N114 | N90-A92 PolarHBondContact O-N 3.06Å; A92-N114 VanDerWaalsContact CA-OD1 3.27Å; A92-N114 WeakPolarHBondContact CA-OD1 3.27Å | ||
| 93 | I | 92.6 | Very high | 94.5 | Very high | 45 Ų | 45 | 53 Ų | 53 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | trans | -114.8 | 152.2 | 169.6 | 66.9 | 168.1 | 0 | 0 | 0 | 110.7 | F95 V109 T113 N114 | I93-F95 HydrophobicContact CD1-CE2 4.26Å; I93-V109 HydrophobicContact CD1-CB 4.14Å; I93-V109 HydrophobicContact CD1-CG1 3.33Å; I93-T113 HydrophobicContact CG1-CG2 4.35Å; I93-T113 HydrophobicContact CG2-CG2 4.05Å; I93-N114 PolarHBondContact N-OD1 3.1Å; I93-N114 PolarHBondContact O-ND2 2.99Å; I93-N114 PolarHBondContact O-OD1 3.24Å | ||
| 94 | A | 90.6 | Very high | 94.6 | Very high | 69 Ų | 69 | 56.6 Ų | 56.6 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | trans | -144 | 136 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 95 | F | 91.2 | Very high | 94.6 | Very high | 58 Ų | 58 | 59.7 Ų | 59.7 | 25% | 0.254 | 38% | 0.38 | S | S | . | . | trans | -74.8 | 148.4 | 169.7 | -70.4 | -95.3 | 0 | 0 | 0 | 109 | I93 D99 T101 Q106 V109 | I93-F95 HydrophobicContact CD1-CE2 4.26Å; F95-D99 HydrophobicContact CB-CB 4.19Å; F95-D99 HydrophobicContact CD1-CB 4.29Å; F95-T101 HydrophobicContact CE1-CG2 4.16Å; F95-Q106 HydrophobicContact CB-CG 4.31Å; F95-Q106 HydrophobicContact CD1-CG 3.8Å; F95-Q106 HydrophobicContact CD2-CB 3.66Å; F95-Q106 HydrophobicContact CD2-CG 3.82Å; F95-Q106 HydrophobicContact CE1-CG 4Å; F95-Q106 VanDerWaalsContact CE2-CA 3.47Å; F95-Q106 HydrophobicContact CE2-CB 3.78Å; F95-Q106 HydrophobicContact CE2-CG 4.05Å; F95-Q106 HydrophobicContact CG-CB 4.07Å; F95-Q106 HydrophobicContact CG-CG 3.7Å; F95-Q106 HydrophobicContact CZ-CB 4.26Å; F95-Q106 HydrophobicContact CZ-CG 4.12Å; F95-V109 HydrophobicContact CE2-CB 4.24Å; F95-V109 HydrophobicContact CZ-CB 4.21Å; F95-V109 HydrophobicContact CZ-CG1 4.42Å | ||
| 96 | K | 91.4 | Very high | 94.5 | Very high | 171 Ų | 171 | 60.7 Ų | 60.7 | 74% | 0.743 | 38% | 0.384 | S | S | * | . | trans | -74.6 | 153.7 | 175 | -66.7 | -176.7 | 179.5 | -178.7 | 0 | 109.2 | A98 D99 | K96-A98 PolarHBondContact O-N 3.19Å; K96-A98 VanDerWaalsContact O-N 3.11Å; K96-D99 WeakPolarHBondContact O-CB 3.47Å; K96-D99 PolarHBondContact O-N 3.45Å | ||
| 97 | A | 89.3 | Confident | 94.4 | Very high | 117 Ų | 117 | 62 Ų | 62 | 97% | 0.967 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -29.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 98 | A | 93.5 | Very high | 94.4 | Very high | 92 Ų | 92 | 68.4 Ų | 68.4 | 76% | 0.76 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 5.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K96 | K96-A98 PolarHBondContact O-N 3.19Å; K96-A98 VanDerWaalsContact O-N 3.11Å |
| 99 | D | 93.9 | Very high | 94.4 | Very high | 64 Ų | 64 | 69.4 Ų | 69.4 | 34% | 0.342 | 44% | 0.435 | S | S | . | . | trans | -74.2 | 128.1 | 179.9 | -161.1 | -61.9 | 0 | 0 | 0 | 110.8 | F95 K96 T101 | F95-D99 HydrophobicContact CB-CB 4.19Å; F95-D99 HydrophobicContact CD1-CB 4.29Å; K96-D99 WeakPolarHBondContact O-CB 3.47Å; K96-D99 PolarHBondContact O-N 3.45Å; D99-T101 WeakPolarHBondContact OD1-CB 3.46Å; D99-T101 PolarHBondContact OD1-N 2.87Å; D99-T101 PolarHBondContact OD1-OG1 3.1Å | ||
| 100 | T | 96.2 | Very high | 94.4 | Very high | 139 Ų | 139 | 71.1 Ų | 71.1 | 85% | 0.853 | 45% | 0.445 | S | S | * | . | trans | -90.6 | 2.8 | -175.1 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 101 | T | 96.6 | Very high | 94.5 | Very high | 45 Ų | 45 | 75.5 Ų | 75.5 | 28% | 0.276 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -57.9 | 137.2 | 175.7 | -58.8 | 0 | 0 | 0 | 0 | 109.9 | F95 D99 V103 V105 Q106 | F95-T101 HydrophobicContact CE1-CG2 4.16Å; D99-T101 WeakPolarHBondContact OD1-CB 3.46Å; D99-T101 PolarHBondContact OD1-N 2.87Å; D99-T101 PolarHBondContact OD1-OG1 3.1Å; T101-V103 PolarHBondContact O-N 2.84Å; T101-V105 HydrophobicContact CG2-CB 3.84Å; T101-V105 HydrophobicContact CG2-CG1 3.73Å; T101-Q106 HydrophobicContact CG2-CG 3.87Å; T101-Q106 PolarHBondContact O-NE2 3.43Å |
| 102 | P | 97.6 | Very high | 94.7 | Very high | 87 Ų | 87 | 80.3 Ų | 80.3 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | trans | -54.4 | 137.1 | 177.7 | -27.5 | 35.3 | 0 | 0 | 0 | 112.5 | A104 V105 Q106 | P102-A104 PolarHBondContact O-N 3.03Å; P102-A104 VanDerWaalsContact O-N 3.15Å; P102-V105 HydrophobicContact CB-CG2 4.22Å; P102-V105 WeakPolarHBondContact O-CA 3.19Å; P102-V105 WeakPolarHBondContact O-CB 3.47Å; P102-V105 PolarHBondContact O-N 2.97Å; P102-Q106 PolarHBondContact O-N 3.47Å | ||
| 103 | V | 94.6 | Very high | 94.8 | Very high | 118 Ų | 118 | 79.2 Ų | 79.2 | 72% | 0.715 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -54.6 | -39.2 | -175.2 | 174.8 | 0 | 0 | 0 | 0 | 112.3 | T101 V105 Q106 A107 | T101-V103 PolarHBondContact O-N 2.84Å; V103-V105 VanDerWaalsContact C-N 3.34Å; V103-V105 PolarHBondContact O-N 2.89Å; V103-Q106 PolarHBondContact O-N 3.16Å; V103-A107 WeakPolarHBondContact O-CB 3.4Å; V103-A107 PolarHBondContact O-N 3.28Å |
| 104 | A | 96.7 | Very high | 94.9 | Very high | 77 Ų | 77 | 78.9 Ų | 78.9 | 64% | 0.636 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.6 | -43.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | P102 A107 E108 | P102-A104 PolarHBondContact O-N 3.03Å; P102-A104 VanDerWaalsContact O-N 3.15Å; A104-A107 PolarHBondContact O-N 3.47Å; A104-E108 PolarHBondContact O-N 3.2Å |
| 105 | V | 97 | Very high | 95.1 | Very high | 64 Ų | 64 | 81.6 Ų | 81.6 | 39% | 0.388 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 176.4 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | T101 P102 V103 A107 E108 V109 | T101-V105 HydrophobicContact CG2-CB 3.84Å; T101-V105 HydrophobicContact CG2-CG1 3.73Å; P102-V105 HydrophobicContact CB-CG2 4.22Å; P102-V105 WeakPolarHBondContact O-CA 3.19Å; P102-V105 WeakPolarHBondContact O-CB 3.47Å; P102-V105 PolarHBondContact O-N 2.97Å; V103-V105 VanDerWaalsContact C-N 3.34Å; V103-V105 PolarHBondContact O-N 2.89Å; V105-A107 VanDerWaalsContact C-N 3.32Å; V105-A107 PolarHBondContact O-N 2.92Å; V105-E108 PolarHBondContact O-N 3.31Å; V105-V109 HydrophobicContact CG1-CG2 4.22Å; V105-V109 VanDerWaalsContact O-CG2 3.27Å; V105-V109 WeakPolarHBondContact O-CG2 3.45Å; V105-V109 PolarHBondContact O-N 2.98Å |
| 106 | Q | 95.8 | Very high | 95.4 | Very high | 41 Ų | 41 | 83.2 Ų | 83.2 | 19% | 0.192 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 175.9 | -62.6 | -168.9 | 29.1 | 0 | 0 | 111.7 | F95 T101 P102 V103 T110 | F95-Q106 HydrophobicContact CB-CG 4.31Å; F95-Q106 HydrophobicContact CD1-CG 3.8Å; F95-Q106 HydrophobicContact CD2-CB 3.66Å; F95-Q106 HydrophobicContact CD2-CG 3.82Å; F95-Q106 HydrophobicContact CE1-CG 4Å; F95-Q106 VanDerWaalsContact CE2-CA 3.47Å; F95-Q106 HydrophobicContact CE2-CB 3.78Å; F95-Q106 HydrophobicContact CE2-CG 4.05Å; F95-Q106 HydrophobicContact CG-CB 4.07Å; F95-Q106 HydrophobicContact CG-CG 3.7Å; F95-Q106 HydrophobicContact CZ-CB 4.26Å; F95-Q106 HydrophobicContact CZ-CG 4.12Å; T101-Q106 HydrophobicContact CG2-CG 3.87Å; T101-Q106 PolarHBondContact O-NE2 3.43Å; P102-Q106 PolarHBondContact O-N 3.47Å; V103-Q106 PolarHBondContact O-N 3.16Å; Q106-T110 WeakPolarHBondContact O-CB 3.4Å; Q106-T110 PolarHBondContact O-N 3.38Å; Q106-T110 PolarHBondContact O-OG1 3.48Å |
| 107 | A | 95.4 | Very high | 95.7 | Very high | 47 Ų | 47 | 75.2 Ų | 75.2 | 39% | 0.388 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62 | -47 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V103 A104 V105 T110 L111 | V103-A107 WeakPolarHBondContact O-CB 3.4Å; V103-A107 PolarHBondContact O-N 3.28Å; A104-A107 PolarHBondContact O-N 3.47Å; V105-A107 VanDerWaalsContact C-N 3.32Å; V105-A107 PolarHBondContact O-N 2.92Å; A107-T110 PolarHBondContact O-N 2.63Å; A107-L111 WeakPolarHBondContact O-CB 3.38Å; A107-L111 WeakPolarHBondContact O-CG 3.15Å; A107-L111 PolarHBondContact O-N 3.01Å |
| 108 | E | 97.1 | Very high | 95.9 | Very high | 133 Ų | 133 | 70 Ų | 70 | 62% | 0.621 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.1 | -51 | 179.1 | -173 | -175.5 | 161.2 | 0 | 0 | 111.9 | A104 V105 T110 L111 R112 | A104-E108 PolarHBondContact O-N 3.2Å; V105-E108 PolarHBondContact O-N 3.31Å; E108-T110 VanDerWaalsContact C-N 3.29Å; E108-T110 PolarHBondContact O-N 2.91Å; E108-L111 PolarHBondContact O-N 2.8Å; E108-R112 VanDerWaalsContact O-CB 3.22Å; E108-R112 WeakPolarHBondContact O-CB 3.33Å; E108-R112 PolarHBondContact O-N 3Å |
| 109 | V | 96.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 71.2 Ų | 71.2 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.8 | -37.4 | -179.2 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | I93 F95 V105 T113 | I93-V109 HydrophobicContact CD1-CB 4.14Å; I93-V109 HydrophobicContact CD1-CG1 3.33Å; F95-V109 HydrophobicContact CE2-CB 4.24Å; F95-V109 HydrophobicContact CZ-CB 4.21Å; F95-V109 HydrophobicContact CZ-CG1 4.42Å; V105-V109 HydrophobicContact CG1-CG2 4.22Å; V105-V109 VanDerWaalsContact O-CG2 3.27Å; V105-V109 WeakPolarHBondContact O-CG2 3.45Å; V105-V109 PolarHBondContact O-N 2.98Å; V109-T113 PolarHBondContact O-N 3.11Å; V109-T113 PolarHBondContact O-OG1 2.91Å; V109-T113 VanDerWaalsContact O-OG1 3.05Å |
| 110 | T | 95.9 | Very high | 96.2 | Very high | 41 Ų | 41 | 70.2 Ų | 70.2 | 25% | 0.252 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.3 | -48 | 177.9 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | Q106 A107 E108 T113 N114 | Q106-T110 WeakPolarHBondContact O-CB 3.4Å; Q106-T110 PolarHBondContact O-N 3.38Å; Q106-T110 PolarHBondContact O-OG1 3.48Å; A107-T110 PolarHBondContact O-N 2.63Å; E108-T110 VanDerWaalsContact C-N 3.29Å; E108-T110 PolarHBondContact O-N 2.91Å; T110-T113 PolarHBondContact O-N 2.87Å; T110-N114 VanDerWaalsContact O-CB 3.24Å; T110-N114 WeakPolarHBondContact O-CB 3.14Å; T110-N114 PolarHBondContact O-N 3.39Å |
| 111 | L | 96.6 | Very high | 96.3 | Very high | 100 Ų | 100 | 63.6 Ų | 63.6 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 176.6 | -74.6 | 170.7 | 0 | 0 | 0 | 111.5 | A107 E108 T113 F115 F116 | A107-L111 WeakPolarHBondContact O-CB 3.38Å; A107-L111 WeakPolarHBondContact O-CG 3.15Å; A107-L111 PolarHBondContact O-N 3.01Å; E108-L111 PolarHBondContact O-N 2.8Å; L111-T113 VanDerWaalsContact C-N 3.33Å; L111-T113 PolarHBondContact O-N 3.41Å; L111-F115 WeakPolarHBondContact O-CB 3.45Å; L111-F115 PolarHBondContact O-N 3.46Å; L111-F115 VanDerWaalsContact O-N 3.1Å; L111-F116 HydrophobicContact CB-CE2 4.33Å; L111-F116 WeakPolarHBondContact O-CD2 3.41Å; L111-F116 PolarHBondContact O-N 2.96Å |
| 112 | R | 96.8 | Very high | 96.3 | Very high | 112 Ų | 112 | 63.5 Ų | 63.5 | 42% | 0.423 | 34% | 0.339 | S | S | . | . | I | π-helix | trans | -54.8 | -48.6 | 175.8 | -173.3 | 175.4 | 65.7 | 88.7 | -2.7 | 111.7 | N65 E108 A117 | N65-R112 PolarHBondContact OD1-NH1 3.39Å; E108-R112 VanDerWaalsContact O-CB 3.22Å; E108-R112 WeakPolarHBondContact O-CB 3.33Å; E108-R112 PolarHBondContact O-N 3Å; R112-A117 VanDerWaalsContact O-CB 3.31Å; R112-A117 WeakPolarHBondContact O-CB 3.42Å; R112-A117 PolarHBondContact O-N 3.5Å |
| 113 | T | 94.9 | Very high | 96.2 | Very high | 6 Ų | 6 | 63.5 Ų | 63.5 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | I | π-helix | trans | -83.2 | -47.4 | -175.2 | -52.2 | 0 | 0 | 0 | 0 | 113 | I64 N65 I93 V109 T110 L111 A117 | I64-T113 HydrophobicContact CD1-CG2 3.94Å; I64-T113 WeakPolarHBondContact CD1-O 3.48Å; I64-T113 HydrophobicContact CG1-CG2 4.39Å; N65-T113 WeakPolarHBondContact ND2-CG2 3.18Å; N65-T113 PolarHBondContact ND2-OG1 2.89Å; N65-T113 WeakPolarHBondContact OD1-CA 3.5Å; N65-T113 PolarHBondContact OD1-OG1 3.47Å; I93-T113 HydrophobicContact CG1-CG2 4.35Å; I93-T113 HydrophobicContact CG2-CG2 4.05Å; V109-T113 PolarHBondContact O-N 3.11Å; V109-T113 PolarHBondContact O-OG1 2.91Å; V109-T113 VanDerWaalsContact O-OG1 3.05Å; T110-T113 PolarHBondContact O-N 2.87Å; L111-T113 VanDerWaalsContact C-N 3.33Å; L111-T113 PolarHBondContact O-N 3.41Å; T113-A117 WeakPolarHBondContact O-CB 3.33Å |
| 114 | N | 95.3 | Very high | 96.4 | Very high | 37 Ų | 37 | 60.5 Ų | 60.5 | 20% | 0.198 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -82.8 | -25.1 | -168.4 | -61.8 | 5.7 | 0 | 0 | 0 | 112 | A92 I93 T110 S118 | A92-N114 VanDerWaalsContact CA-OD1 3.27Å; A92-N114 WeakPolarHBondContact CA-OD1 3.27Å; I93-N114 PolarHBondContact N-OD1 3.1Å; I93-N114 PolarHBondContact O-ND2 2.99Å; I93-N114 PolarHBondContact O-OD1 3.24Å; T110-N114 VanDerWaalsContact O-CB 3.24Å; T110-N114 WeakPolarHBondContact O-CB 3.14Å; T110-N114 PolarHBondContact O-N 3.39Å; N114-S118 WeakPolarHBondContact O-CB 3.48Å; N114-S118 PolarHBondContact O-OG 3.06Å |
| 115 | F | 95.3 | Very high | 96.4 | Very high | 126 Ų | 126 | 56.8 Ų | 56.8 | 55% | 0.553 | 29% | 0.285 | S | S | * | . | I | π-helix | trans | -111.2 | -65.5 | -178.9 | -176.5 | -98.7 | 0 | 0 | 0 | 112.1 | L111 S118 R119 | L111-F115 WeakPolarHBondContact O-CB 3.45Å; L111-F115 PolarHBondContact O-N 3.46Å; L111-F115 VanDerWaalsContact O-N 3.1Å; F115-S118 PolarHBondContact O-N 3.48Å; F115-R119 WeakPolarHBondContact O-CB 3.46Å; F115-R119 PolarHBondContact O-N 3.19Å |
| 116 | F | 97.3 | Very high | 96.2 | Very high | 92 Ų | 92 | 58 Ų | 58 | 40% | 0.404 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -65.2 | -46.7 | -172.1 | -66.9 | -65.9 | 0 | 0 | 0 | 112.5 | L111 R119 D120 | L111-F116 HydrophobicContact CB-CE2 4.33Å; L111-F116 WeakPolarHBondContact O-CD2 3.41Å; L111-F116 PolarHBondContact O-N 2.96Å; F116-R119 WeakPolarHBondContact O-CB 3.39Å; F116-R119 PolarHBondContact O-N 3.15Å; F116-D120 VanDerWaalsContact O-CG 3.25Å; F116-D120 PolarHBondContact O-N 3.35Å |
| 117 | A | 97.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -64.8 | -39 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | I64 N65 R112 T113 R119 D120 V121 | I64-A117 HydrophobicContact CB-CB 4.2Å; I64-A117 HydrophobicContact CD1-CB 3.87Å; I64-A117 HydrophobicContact CG1-CB 3.98Å; I64-A117 WeakPolarHBondContact O-CB 3.24Å; N65-A117 WeakPolarHBondContact OD1-CB 3.25Å; R112-A117 VanDerWaalsContact O-CB 3.31Å; R112-A117 WeakPolarHBondContact O-CB 3.42Å; R112-A117 PolarHBondContact O-N 3.5Å; T113-A117 WeakPolarHBondContact O-CB 3.33Å; A117-R119 VanDerWaalsContact C-N 3.34Å; A117-R119 PolarHBondContact O-N 2.85Å; A117-D120 PolarHBondContact O-N 3.18Å; A117-V121 WeakPolarHBondContact O-CG2 3.41Å; A117-V121 PolarHBondContact O-N 3.28Å |
| 118 | S | 95.1 | Very high | 96.2 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 172.7 | -65 | 0 | 0 | 0 | 0 | 112.1 | N114 F115 D120 V121 L122 | N114-S118 WeakPolarHBondContact O-CB 3.48Å; N114-S118 PolarHBondContact O-OG 3.06Å; F115-S118 PolarHBondContact O-N 3.48Å; S118-D120 VanDerWaalsContact C-N 3.32Å; S118-D120 PolarHBondContact O-N 3.36Å; S118-V121 PolarHBondContact O-N 3.28Å; S118-L122 WeakPolarHBondContact O-CG 3.32Å; S118-L122 PolarHBondContact O-N 3.25Å |
| 119 | R | 96.1 | Very high | 96.1 | Very high | 116 Ų | 116 | 55.5 Ų | 55.5 | 44% | 0.438 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 172.1 | 175.4 | -151 | 65.5 | -167.7 | -5 | 110.7 | F115 F116 A117 V121 L122 T123 | F115-R119 WeakPolarHBondContact O-CB 3.46Å; F115-R119 PolarHBondContact O-N 3.19Å; F116-R119 WeakPolarHBondContact O-CB 3.39Å; F116-R119 PolarHBondContact O-N 3.15Å; A117-R119 VanDerWaalsContact C-N 3.34Å; A117-R119 PolarHBondContact O-N 2.85Å; R119-V121 VanDerWaalsContact C-N 3.34Å; R119-V121 PolarHBondContact O-N 2.76Å; R119-L122 CarbonylContact O-C 3.59Å; R119-L122 WeakPolarHBondContact O-CA 3.42Å; R119-L122 WeakPolarHBondContact O-CB 3.1Å; R119-L122 PolarHBondContact O-N 3.41Å; R119-L122 VanDerWaalsContact O-N 3.09Å; R119-T123 PolarHBondContact O-N 3.34Å; R119-T123 PolarHBondContact O-OG1 3.38Å |
| 120 | D | 97.4 | Very high | 95.9 | Very high | 43 Ų | 43 | 55.4 Ų | 55.4 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -38.2 | -178.8 | -64.8 | -13.2 | 0 | 0 | 0 | 111.9 | I70 F116 A117 S118 L122 T123 H124 | I70-D120 HydrophobicContact CD1-CB 3.88Å; F116-D120 VanDerWaalsContact O-CG 3.25Å; F116-D120 PolarHBondContact O-N 3.35Å; A117-D120 PolarHBondContact O-N 3.18Å; S118-D120 VanDerWaalsContact C-N 3.32Å; S118-D120 PolarHBondContact O-N 3.36Å; D120-L122 VanDerWaalsContact C-N 3.33Å; D120-L122 PolarHBondContact O-N 3.39Å; D120-T123 PolarHBondContact O-N 2.87Å; D120-H124 PolarHBondContact O-CD2 3.48Å; D120-H124 VanDerWaalsContact O-CD2 3.28Å; D120-H124 PolarHBondContact O-N 3.09Å |
| 121 | V | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.6 | -49.4 | 169.2 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | T11 I64 I70 L87 A117 S118 R119 T123 H124 F125 | T11-V121 HydrophobicContact CG2-CG1 4.43Å; I64-V121 HydrophobicContact CB-CG2 3.86Å; I64-V121 HydrophobicContact CG2-CG2 3.56Å; I70-V121 HydrophobicContact CD1-CG2 3.9Å; I70-V121 HydrophobicContact CG1-CG2 4Å; L87-V121 HydrophobicContact CD2-CG1 4.34Å; A117-V121 WeakPolarHBondContact O-CG2 3.41Å; A117-V121 PolarHBondContact O-N 3.28Å; S118-V121 PolarHBondContact O-N 3.28Å; R119-V121 VanDerWaalsContact C-N 3.34Å; R119-V121 PolarHBondContact O-N 2.76Å; V121-T123 PolarHBondContact O-N 3.4Å; V121-H124 PolarHBondContact O-N 2.67Å; V121-F125 HydrophobicContact CG1-CD2 3.97Å; V121-F125 HydrophobicContact CG1-CE2 4.44Å; V121-F125 HydrophobicContact CG1-CG 4.41Å; V121-F125 WeakPolarHBondContact O-CB 3.39Å; V121-F125 WeakPolarHBondContact O-CD2 3.19Å; V121-F125 PolarHBondContact O-N 3Å |
| 122 | L | 95.9 | Very high | 94.8 | Very high | 43 Ų | 43 | 59.3 Ų | 59.3 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 179.3 | -69.9 | 175.9 | 0 | 0 | 0 | 112.3 | L87 N89 S118 R119 D120 H124 F125 L126 N135 | L87-L122 HydrophobicContact CD2-CD2 4.24Å; N89-L122 WeakPolarHBondContact ND2-CD2 3.19Å; S118-L122 WeakPolarHBondContact O-CG 3.32Å; S118-L122 PolarHBondContact O-N 3.25Å; R119-L122 CarbonylContact O-C 3.59Å; R119-L122 WeakPolarHBondContact O-CA 3.42Å; R119-L122 WeakPolarHBondContact O-CB 3.1Å; R119-L122 PolarHBondContact O-N 3.41Å; R119-L122 VanDerWaalsContact O-N 3.09Å; D120-L122 VanDerWaalsContact C-N 3.33Å; D120-L122 PolarHBondContact O-N 3.39Å; L122-H124 PolarHBondContact O-N 2.97Å; L122-F125 PolarHBondContact O-N 2.97Å; L122-L126 HydrophobicContact CB-CD1 3.98Å; L122-L126 HydrophobicContact CB-CG 4.2Å; L122-L126 HydrophobicContact CD2-CD2 4.44Å; L122-L126 HydrophobicContact CD2-CG 4.25Å; L122-L126 WeakPolarHBondContact O-CB 3.27Å; L122-L126 WeakPolarHBondContact O-CG 3.31Å; L122-L126 PolarHBondContact O-N 3.38Å; L122-N135 WeakPolarHBondContact CD2-ND2 3.47Å; L122-N135 WeakPolarHBondContact CD2-OD1 3.41Å |
| 123 | T | 96.8 | Very high | 93.9 | Very high | 86 Ų | 86 | 55 Ų | 55 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.5 | -35.9 | 177.3 | -62.7 | 0 | 0 | 0 | 0 | 112.1 | R119 D120 V121 | R119-T123 PolarHBondContact O-N 3.34Å; R119-T123 PolarHBondContact O-OG1 3.38Å; D120-T123 PolarHBondContact O-N 2.87Å; V121-T123 PolarHBondContact O-N 3.4Å |
| 124 | H | 97.4 | Very high | 93.2 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 26% | 0.255 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -92.3 | -28.9 | -178.2 | -74.2 | -64.6 | 0 | 0 | 0 | 114.7 | L67 I70 A74 D120 V121 L122 | L67-H124 VanDerWaalsContact CD1-NE2 3.34Å; L67-H124 WeakPolarHBondContact CD1-NE2 3.47Å; I70-H124 HydrophobicContact CG2-CB 3.68Å; A74-H124 HydrophobicContact CB-CB 4.27Å; D120-H124 PolarHBondContact O-CD2 3.48Å; D120-H124 VanDerWaalsContact O-CD2 3.28Å; D120-H124 PolarHBondContact O-N 3.09Å; V121-H124 PolarHBondContact O-N 2.67Å; L122-H124 PolarHBondContact O-N 2.97Å |
| 125 | F | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -95.8 | -25.8 | -178.1 | -82.1 | -108.2 | 0 | 0 | 0 | 114 | I70 A73 A74 F77 V84 L87 V121 L122 L128 I129 | I70-F125 HydrophobicContact CG2-CD2 4.49Å; I70-F125 HydrophobicContact CG2-CE2 4.3Å; A73-F125 HydrophobicContact CB-CE2 4.47Å; A73-F125 HydrophobicContact CB-CZ 4.03Å; A74-F125 HydrophobicContact CB-CD2 4.13Å; A74-F125 HydrophobicContact CB-CE2 3.83Å; A74-F125 HydrophobicContact CB-CZ 4.28Å; F77-F125 AromaticContact CD2-CE1 3.6Å; F77-F125 HydrophobicContact CD2-CE1 3.6Å; F77-F125 AromaticContact CD2-CZ 3.88Å; F77-F125 HydrophobicContact CD2-CZ 3.88Å; F77-F125 HydrophobicContact CE2-CE1 4.11Å; F77-F125 HydrophobicContact CE2-CZ 4.23Å; F77-F125 HydrophobicContact CG-CE1 4.49Å; V84-F125 HydrophobicContact CG1-CD1 4.33Å; V84-F125 HydrophobicContact CG1-CE1 4.37Å; V84-F125 HydrophobicContact CG2-CD1 4.41Å; L87-F125 HydrophobicContact CD1-CD1 4.1Å; L87-F125 HydrophobicContact CD1-CE1 4.5Å; L87-F125 HydrophobicContact CD2-CB 3.61Å; L87-F125 HydrophobicContact CD2-CD1 4.29Å; L87-F125 HydrophobicContact CD2-CG 4.12Å; V121-F125 HydrophobicContact CG1-CD2 3.97Å; V121-F125 HydrophobicContact CG1-CE2 4.44Å; V121-F125 HydrophobicContact CG1-CG 4.41Å; V121-F125 WeakPolarHBondContact O-CB 3.39Å; V121-F125 WeakPolarHBondContact O-CD2 3.19Å; V121-F125 PolarHBondContact O-N 3Å; L122-F125 PolarHBondContact O-N 2.97Å; F125-L128 CarbonylContact O-C 3.57Å; F125-L128 WeakPolarHBondContact O-CA 3.49Å; F125-L128 WeakPolarHBondContact O-CB 3.34Å; F125-L128 PolarHBondContact O-N 2.86Å; F125-I129 PolarHBondContact O-N 3.05Å |
| 126 | L | 94.1 | Very high | 91.6 | Very high | 89 Ų | 89 | 55.7 Ų | 55.7 | 47% | 0.466 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -56.9 | -43.2 | 179.8 | -79.7 | 172.3 | 0 | 0 | 0 | 113.1 | L122 L128 I129 N135 | L122-L126 HydrophobicContact CB-CD1 3.98Å; L122-L126 HydrophobicContact CB-CG 4.2Å; L122-L126 HydrophobicContact CD2-CD2 4.44Å; L122-L126 HydrophobicContact CD2-CG 4.25Å; L122-L126 WeakPolarHBondContact O-CB 3.27Å; L122-L126 WeakPolarHBondContact O-CG 3.31Å; L122-L126 PolarHBondContact O-N 3.38Å; L126-L128 PolarHBondContact O-N 3.37Å; L126-L128 VanDerWaalsContact O-N 3.1Å; L126-I129 HydrophobicContact CD2-CG1 4.4Å; L126-I129 PolarHBondContact O-N 3.01Å; L126-N135 HydrophobicContact CD2-CB 4.5Å |
| 127 | P | 96.3 | Very high | 90.3 | Very high | 105 Ų | 105 | 54.9 Ų | 54.9 | 68% | 0.682 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -65.3 | -11.1 | 174.7 | -21.5 | 34.6 | 0 | 0 | 0 | 114.2 | ||
| 128 | L | 95.3 | Very high | 88.9 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 12% | 0.12 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -102 | -5.2 | -178.8 | -51.5 | -176.5 | 0 | 0 | 0 | 113 | A74 K78 G83 V84 F125 L126 K130 | A74-L128 HydrophobicContact CB-CD1 3.8Å; A74-L128 VanDerWaalsContact O-CD1 3.26Å; A74-L128 WeakPolarHBondContact O-CD1 3.22Å; K78-L128 HydrophobicContact CB-CD1 4.24Å; K78-L128 HydrophobicContact CB-CD2 4.01Å; K78-L128 HydrophobicContact CD-CD2 3.82Å; K78-L128 HydrophobicContact CG-CD2 3.95Å; G83-L128 CarbonylContact C-O 3.51Å; G83-L128 WeakPolarHBondContact CA-O 3.43Å; V84-L128 PolarHBondContact N-O 3.06Å; F125-L128 CarbonylContact O-C 3.57Å; F125-L128 WeakPolarHBondContact O-CA 3.49Å; F125-L128 WeakPolarHBondContact O-CB 3.34Å; F125-L128 PolarHBondContact O-N 2.86Å; L126-L128 PolarHBondContact O-N 3.37Å; L126-L128 VanDerWaalsContact O-N 3.1Å; L128-K130 PolarHBondContact O-N 3.34Å |
| 129 | I | 94.6 | Very high | 87 | Confident | 40 Ų | 40 | 61.6 Ų | 61.6 | 21% | 0.205 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 121.3 | 175.3 | -55.2 | -55.6 | 0 | 0 | 0 | 108.1 | V84 L87 F125 L126 N135 | V84-I129 HydrophobicContact CG2-CD1 3.4Å; V84-I129 VanDerWaalsContact CG2-CD1 3.4Å; V84-I129 WeakPolarHBondContact O-CA 3.22Å; L87-I129 HydrophobicContact CB-CD1 4.11Å; F125-I129 PolarHBondContact O-N 3.05Å; L126-I129 HydrophobicContact CD2-CG1 4.4Å; L126-I129 PolarHBondContact O-N 3.01Å; I129-N135 HydrophobicContact CD1-CB 4.38Å |
| 130 | K | 91.9 | Very high | 84.5 | Confident | 36 Ų | 36 | 61.1 Ų | 61.1 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 157.6 | -180 | -66 | 178.3 | -172.4 | 166.4 | 0 | 111.3 | Y81 G83 V84 D85 L128 G132 G133 | Y81-K130 WeakPolarHBondContact O-CE 3.4Å; Y81-K130 PolarHBondContact O-NZ 3.06Å; G83-K130 VanDerWaalsContact C-CE 3.48Å; G83-K130 VanDerWaalsContact O-CE 3.29Å; G83-K130 WeakPolarHBondContact O-CE 3.36Å; V84-K130 PolarHBondContact O-N 3.44Å; D85-K130 IonicContact OD2-NZ 2.74Å; D85-K130 PolarHBondContact OD2-NZ 3.1Å; L128-K130 PolarHBondContact O-N 3.34Å; K130-G132 PolarHBondContact O-N 2.88Å; K130-G133 WeakPolarHBondContact O-CA 3.44Å; K130-G133 PolarHBondContact O-N 3.33Å |
| 131 | P | 86.5 | Confident | 81.7 | Confident | 137 Ų | 137 | 68.8 Ų | 68.8 | 89% | 0.89 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -51.8 | 126.6 | 169.5 | -25.9 | 34.8 | 0 | 0 | 0 | 111.6 | G133 | P131-G133 PolarHBondContact O-N 3.39Å |
| 132 | G | 82.4 | Confident | 79 | Confident | 86 Ų | 86 | 75.8 Ų | 75.8 | 89% | 0.887 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 77.5 | 0.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K130 | K130-G132 PolarHBondContact O-N 2.88Å |
| 133 | G | 78.5 | Confident | 78.2 | Confident | 22 Ų | 22 | 77.4 Ų | 77.4 | 23% | 0.227 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 164.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D85 K130 P131 | D85-G133 CarbonylContact O-C 3.56Å; D85-G133 WeakPolarHBondContact O-CA 3.45Å; K130-G133 WeakPolarHBondContact O-CA 3.44Å; K130-G133 PolarHBondContact O-N 3.33Å; P131-G133 PolarHBondContact O-N 3.39Å |
| 134 | T | 80.5 | Confident | 77.2 | Confident | 73 Ų | 73 | 76.9 Ų | 76.9 | 45% | 0.448 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 147.6 | -177.7 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | D85 I86 L87 | D85-T134 PolarHBondContact O-N 2.86Å; I86-T134 WeakPolarHBondContact CA-O 3.45Å; L87-T134 PolarHBondContact N-O 3.21Å |
| 135 | N | 76.4 | Confident | 76.1 | Confident | 48 Ų | 48 | 78.2 Ų | 78.2 | 26% | 0.257 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 118 | 171 | 170.4 | 53.7 | 0 | 0 | 0 | 108.3 | L87 N89 L122 L126 I129 | L87-N135 WeakPolarHBondContact CD2-OD1 3.37Å; L87-N135 WeakPolarHBondContact O-CA 3.48Å; L87-N135 PolarHBondContact O-OD1 3.14Å; N89-N135 PolarHBondContact ND2-OD1 2.87Å; L122-N135 WeakPolarHBondContact CD2-ND2 3.47Å; L122-N135 WeakPolarHBondContact CD2-OD1 3.41Å; L126-N135 HydrophobicContact CD2-CB 4.5Å; I129-N135 HydrophobicContact CD1-CB 4.38Å |
| 136 | T | 80.1 | Confident | 74.9 | Confident | 63 Ų | 63 | 82.8 Ų | 82.8 | 39% | 0.387 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 115.5 | -175.6 | -53.1 | 0 | 0 | 0 | 0 | 110.1 | L87 I88 N89 | L87-T136 PolarHBondContact O-N 3.23Å; I88-T136 WeakPolarHBondContact CA-O 3.44Å; N89-T136 PolarHBondContact N-O 3.43Å |
| 137 | P | 69.9 | Low | 73.7 | Confident | 74 Ų | 74 | 82.4 Ų | 82.4 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 129.2 | 168.3 | -14 | 28.8 | 0 | 0 | 0 | 110.4 | ||
| 138 | L | 67.6 | Low | 72.2 | Confident | 35 Ų | 35 | 80.9 Ų | 80.9 | 18% | 0.183 | 46% | 0.458 | C | S | . | . | trans | -122.9 | 75.9 | 173.8 | -164.9 | 68.5 | 0 | 0 | 0 | 109.6 | V17 V21 I88 N89 N90 L140 | V17-L138 HydrophobicContact CG1-CD2 3.47Å; V17-L138 VanDerWaalsContact CG1-CD2 3.47Å; V17-L138 HydrophobicContact CG1-CG 4.31Å; V21-L138 HydrophobicContact CG2-CD2 3.77Å; I88-L138 HydrophobicContact CG2-CB 3.95Å; I88-L138 HydrophobicContact CG2-CD2 4.21Å; N89-L138 CarbonylContact O-C 3.47Å; N89-L138 WeakPolarHBondContact O-CA 3.49Å; N89-L138 PolarHBondContact O-N 2.94Å; N90-L138 HydrophobicContact CB-CB 4.39Å; N90-L138 HydrophobicContact CB-CD2 4.47Å; L138-L140 HydrophobicContact CD1-CD1 3.58Å; L138-L140 HydrophobicContact CD1-CG 3.84Å; L138-L140 HydrophobicContact CG-CD1 4.04Å; L138-L140 HydrophobicContact CG-CG 4.13Å; L138-L140 PolarHBondContact O-N 3.15Å; L138-L140 VanDerWaalsContact O-N 3.14Å | ||
| 139 | H | 56 | Low | 70.5 | Confident | 119 Ų | 119 | 85 Ų | 85 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | trans | -86.4 | 58.2 | 173.4 | -56.5 | 111.4 | 0 | 0 | 0 | 110.5 | ||||
| 140 | L | 43.2 | Very low | 68.7 | Low | 105 Ų | 105 | 88.5 Ų | 88.5 | 55% | 0.55 | 50% | 0.503 | S | S | . | . | trans | -83.7 | 125 | 173.4 | -69.7 | 175.9 | 0 | 0 | 0 | 109.3 | V17 L138 K142 | V17-L140 HydrophobicContact CG1-CD1 4.04Å; V17-L140 HydrophobicContact CG2-CB 4.47Å; L138-L140 HydrophobicContact CD1-CD1 3.58Å; L138-L140 HydrophobicContact CD1-CG 3.84Å; L138-L140 HydrophobicContact CG-CD1 4.04Å; L138-L140 HydrophobicContact CG-CG 4.13Å; L138-L140 PolarHBondContact O-N 3.15Å; L138-L140 VanDerWaalsContact O-N 3.14Å; L140-K142 PolarHBondContact O-N 2.99Å | ||
| 141 | K | 37.7 | Very low | 66.7 | Low | 205 Ų | 205 | 92.8 Ų | 92.8 | 89% | 0.891 | 53% | 0.532 | S | S | * | . | trans | -57.3 | 121.1 | 171 | -68.6 | -172.6 | 178.1 | -176.9 | 0 | 108 | ||||
| 142 | K | 41.9 | Very low | 64.9 | Low | 147 Ų | 147 | 88.8 Ų | 88.8 | 64% | 0.639 | 50% | 0.5 | S | S | * | . | trans | -67 | 0 | 167.1 | -77.4 | 178.4 | -179.9 | 155.8 | 0 | 110.6 | L140 | L140-K142 PolarHBondContact O-N 2.99Š|
Retrieved 142 of 142 residues in 233.3 ms
(Link to these results)