| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 83.6 | Confident | 69 | Low | 54 Ų | 54 | 63.5 Ų | 63.5 | 27% | 0.266 | 38% | 0.38 | S | S | . | . | 0 | 116 | 0 | 175.7 | 175.3 | -178.2 | 0 | 0 | 107.8 | I3 Y15 L16 Y235 P301 L303 | M1-I3 HydrophobicContact CE-CD1 4.48Å; M1-I3 HydrophobicContact CG-CD1 4.24Å; M1-I3 HydrophobicContact SD-CD1 4.37Å; M1-Y15 WeakPolarHBondContact O-CA 3.43Å; M1-Y15 VanDerWaalsContact O-CD2 3.3Å; M1-Y15 WeakPolarHBondContact O-CD2 3.5Å; M1-L16 WeakPolarHBondContact CA-O 3.45Å; M1-L16 WeakPolarHBondContact CB-O 3.32Å; M1-L16 PolarHBondContact N-O 3.49Å; M1-L16 PolarHBondContact O-N 3.41Å; M1-Y235 HydrophobicContact CE-CD1 3.65Å; M1-Y235 HydrophobicContact CE-CE1 3.97Å; M1-Y235 HydrophobicContact CE-CG 4.37Å; M1-Y235 HydrophobicContact SD-CD1 4.35Å; M1-P301 HydrophobicContact CE-CB 3.49Å; M1-P301 VanDerWaalsContact CE-CB 3.49Å; M1-P301 HydrophobicContact CE-CG 4.37Å; M1-P301 HydrophobicContact SD-CB 4.29Å; M1-L303 HydrophobicContact CB-CD1 4.13Å; M1-L303 HydrophobicContact CB-CD2 3.97Å; M1-L303 HydrophobicContact CB-CG 4.41Å; M1-L303 HydrophobicContact SD-CD2 3.84Å; M1-L303 HydrophobicContact SD-CG 4.43Å | |||
| 2 | H | 80.6 | Confident | 70.5 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 14% | 0.139 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -79 | 120.6 | 173.8 | -155.5 | -101.4 | 0 | 0 | 0 | 109.6 | T4 G55 Y56 | H2-T4 PolarHBondContact CE1-OG1 3.42Å; H2-T4 PolarHBondContact ND1-OG1 3.17Å; H2-G55 PolarHBondContact CD2-O 3.47Å; H2-G55 PolarHBondContact NE2-O 3.46Å; H2-Y56 HydrophobicContact CB-CE1 3.9Å; H2-Y56 VanDerWaalsContact CB-OH 3.27Å; H2-Y56 WeakPolarHBondContact CB-OH 3.37Å; H2-Y56 AromaticContact CD2-CD2 3.86Å; H2-Y56 AromaticContact CD2-CE1 3.75Å; H2-Y56 AromaticContact CD2-CE2 3.31Å; H2-Y56 WeakPolarHBondContact CD2-CE2 3.31Å; H2-Y56 AromaticContact CD2-CZ 3.22Å; H2-Y56 PolarHBondContact CD2-OH 2.92Å; H2-Y56 AromaticContact CG-CZ 3.64Å; H2-Y56 AromaticContact NE2-CE2 3.77Å |
| 3 | I | 79.2 | Confident | 72 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.015 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -76.2 | -32.2 | -172.8 | -58.3 | -57.5 | 0 | 0 | 0 | 111.2 | M1 N5 S6 F8 L13 L14 L16 A335 | M1-I3 HydrophobicContact CE-CD1 4.48Å; M1-I3 HydrophobicContact CG-CD1 4.24Å; M1-I3 HydrophobicContact SD-CD1 4.37Å; I3-N5 PolarHBondContact O-N 3.08Å; I3-N5 VanDerWaalsContact O-N 3.13Å; I3-S6 WeakPolarHBondContact O-CA 3.49Å; I3-S6 VanDerWaalsContact O-CB 3.3Å; I3-S6 WeakPolarHBondContact O-CB 3.4Å; I3-S6 PolarHBondContact O-N 2.85Å; I3-S6 PolarHBondContact O-OG 3.47Å; I3-F8 HydrophobicContact CG2-CD1 4.03Å; I3-L13 HydrophobicContact CG1-CD2 4.27Å; I3-L13 HydrophobicContact CG1-CG 4.26Å; I3-L14 PolarHBondContact N-O 3.02Å; I3-L16 HydrophobicContact CD1-CD1 4.21Å; I3-L16 HydrophobicContact CD1-CG 4.36Å; I3-A335 HydrophobicContact CD1-CB 3.94Å; I3-A335 HydrophobicContact CG2-CB 4.37Å |
| 4 | T | 65.9 | Low | 73.5 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 49% | 0.485 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15.9 | 178.2 | 75.8 | 0 | 0 | 0 | 0 | 113.1 | H2 S6 L14 | H2-T4 PolarHBondContact CE1-OG1 3.42Å; H2-T4 PolarHBondContact ND1-OG1 3.17Å; T4-S6 PolarHBondContact O-N 2.84Å; T4-L14 HydrophobicContact CG2-CD2 3.86Å |
| 5 | N | 59.9 | Low | 74.8 | Confident | 77 Ų | 77 | 54.1 Ų | 54.1 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 6.8 | 169.6 | -76 | -22.6 | 0 | 0 | 0 | 112.9 | I3 | I3-N5 PolarHBondContact O-N 3.08Å; I3-N5 VanDerWaalsContact O-N 3.13Å |
| 6 | S | 62.5 | Low | 75.9 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -119.5 | 159.5 | 175 | 78.9 | 0 | 0 | 0 | 0 | 110.6 | I3 T4 F8 P301 | I3-S6 WeakPolarHBondContact O-CA 3.49Å; I3-S6 VanDerWaalsContact O-CB 3.3Å; I3-S6 WeakPolarHBondContact O-CB 3.4Å; I3-S6 PolarHBondContact O-N 2.85Å; I3-S6 PolarHBondContact O-OG 3.47Å; T4-S6 PolarHBondContact O-N 2.84Å; S6-F8 PolarHBondContact O-N 3.02Å; S6-F8 VanDerWaalsContact O-N 3.1Å; S6-F8 WeakPolarHBondContact OG-CB 3.43Å; S6-F8 PolarHBondContact OG-N 2.68Å; S6-P301 WeakPolarHBondContact OG-CG 3.33Å |
| 7 | S | 63.9 | Low | 76.9 | Confident | 112 Ų | 112 | 48.5 Ų | 48.5 | 78% | 0.783 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -74.4 | 10.5 | 175.3 | 62.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 8 | F | 68.9 | Low | 77.7 | Confident | 36 Ų | 36 | 46.4 Ų | 46.4 | 16% | 0.158 | 27% | 0.274 | C | S | . | . | trans | -85.7 | 121.1 | -174.3 | -176.6 | -110.2 | 0 | 0 | 0 | 110.2 | I3 S6 N10 P299 V300 P301 A335 D336 | I3-F8 HydrophobicContact CG2-CD1 4.03Å; S6-F8 PolarHBondContact O-N 3.02Å; S6-F8 VanDerWaalsContact O-N 3.1Å; S6-F8 WeakPolarHBondContact OG-CB 3.43Å; S6-F8 PolarHBondContact OG-N 2.68Å; F8-N10 HydrophobicContact CD1-CB 3.84Å; F8-N10 HydrophobicContact CE1-CB 3.28Å; F8-N10 HydrophobicContact CZ-CB 4.01Å; F8-N10 PolarHBondContact O-N 3.37Å; F8-P299 WeakPolarHBondContact CD2-O 3.32Å; F8-V300 HydrophobicContact CE2-CB 4.24Å; F8-V300 HydrophobicContact CE2-CG1 4.02Å; F8-V300 HydrophobicContact CE2-CG2 3.91Å; F8-V300 HydrophobicContact CZ-CG1 4.01Å; F8-P301 VanDerWaalsContact CB-CD 3.47Å; F8-P301 HydrophobicContact CB-CG 3.64Å; F8-P301 HydrophobicContact CD1-CG 4.44Å; F8-P301 VanDerWaalsContact CG-CD 3.4Å; F8-P301 HydrophobicContact CG-CG 4.06Å; F8-A335 HydrophobicContact CD1-CB 3.71Å; F8-A335 HydrophobicContact CE1-CB 3.52Å; F8-A335 WeakPolarHBondContact CE1-O 3.33Å; F8-A335 HydrophobicContact CZ-CB 4.36Å; F8-D336 HydrophobicContact CZ-CB 3.98Å | ||
| 9 | V | 64.7 | Low | 78.4 | Confident | 141 Ų | 141 | 44.1 Ų | 44.1 | 86% | 0.855 | 26% | 0.26 | S | S | * | . | trans | -95.9 | 82 | -179.9 | -170.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 10 | N | 65.1 | Low | 78.8 | Confident | 56 Ų | 56 | 44 Ų | 44 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | trans | -106.6 | 125.8 | 157.2 | -179.7 | -12.5 | 0 | 0 | 0 | 106.9 | F8 N12 A335 | F8-N10 HydrophobicContact CD1-CB 3.84Å; F8-N10 HydrophobicContact CE1-CB 3.28Å; F8-N10 HydrophobicContact CZ-CB 4.01Å; F8-N10 PolarHBondContact O-N 3.37Å; N10-N12 VanDerWaalsContact C-N 3.3Å; N10-N12 PolarHBondContact O-N 3.01Å; N10-N12 PolarHBondContact OD1-N 3.41Å; N10-A335 PolarHBondContact ND2-O 3.27Å | ||
| 11 | S | 65.3 | Low | 79.1 | Confident | 82 Ų | 82 | 44.7 Ų | 44.7 | 57% | 0.573 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -67.4 | -32.7 | -170.9 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | Q30 | S11-Q30 WeakPolarHBondContact O-CG 3.44Å; S11-Q30 PolarHBondContact O-NE2 3.07Å |
| 12 | N | 86.3 | Confident | 79.3 | Confident | 84 Ų | 84 | 42.6 Ų | 42.6 | 45% | 0.449 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -104 | -24.4 | -164.7 | -67.3 | 6.7 | 0 | 0 | 0 | 114.6 | N10 M29 Q30 | N10-N12 VanDerWaalsContact C-N 3.3Å; N10-N12 PolarHBondContact O-N 3.01Å; N10-N12 PolarHBondContact OD1-N 3.41Å; N12-M29 CarbonylContact O-C 3.56Å; N12-M29 WeakPolarHBondContact O-CA 3.37Å; N12-Q30 PolarHBondContact O-N 3.47Å |
| 13 | L | 90.8 | Very high | 79.6 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 120.2 | -175.3 | -174.5 | 71.1 | 0 | 0 | 0 | 111.4 | I3 Y15 L16 C27 A335 | I3-L13 HydrophobicContact CG1-CD2 4.27Å; I3-L13 HydrophobicContact CG1-CG 4.26Å; L13-Y15 WeakPolarHBondContact CD1-O 3.28Å; L13-L16 HydrophobicContact CD1-CD2 4.02Å; L13-L16 HydrophobicContact CD1-CG 4.33Å; L13-L16 HydrophobicContact CD2-CD1 3.84Å; L13-L16 HydrophobicContact CD2-CD2 4.04Å; L13-L16 HydrophobicContact CD2-CG 3.78Å; L13-L16 HydrophobicContact CG-CG 4.37Å; L13-C27 HydrophobicContact CD1-CB 3.9Å; L13-A335 HydrophobicContact CD2-CB 4.13Å; L13-A335 WeakPolarHBondContact CD2-O 3.23Å |
| 14 | L | 91.9 | Very high | 80.1 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -33.8 | -179.1 | -61.7 | 177.8 | 0 | 0 | 0 | 112.5 | I3 T4 G28 M29 Q30 I54 G71 | I3-L14 PolarHBondContact N-O 3.02Å; T4-L14 HydrophobicContact CG2-CD2 3.86Å; L14-G28 PolarHBondContact N-O 2.84Å; L14-M29 WeakPolarHBondContact CD1-O 3.48Å; L14-Q30 HydrophobicContact CD2-CG 4.45Å; L14-Q30 HydrophobicContact CG-CG 4.43Å; L14-I54 WeakPolarHBondContact CD1-O 3.25Å; L14-G71 WeakPolarHBondContact CD1-O 3.39Å |
| 15 | Y | 93.3 | Very high | 81.4 | Confident | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 146.9 | -175.1 | 175.4 | -91.2 | 0 | 0 | 0 | 113.6 | M1 L13 C27 G28 G55 Y56 V57 E58 | M1-Y15 WeakPolarHBondContact O-CA 3.43Å; M1-Y15 VanDerWaalsContact O-CD2 3.3Å; M1-Y15 WeakPolarHBondContact O-CD2 3.5Å; L13-Y15 WeakPolarHBondContact CD1-O 3.28Å; Y15-C27 CarbonylContact O-C 3.51Å; Y15-C27 VanDerWaalsContact O-CA 3.23Å; Y15-C27 WeakPolarHBondContact O-CA 3.49Å; Y15-G28 PolarHBondContact N-O 3.32Å; Y15-G28 VanDerWaalsContact N-O 3.12Å; Y15-G28 PolarHBondContact O-N 2.94Å; Y15-G55 WeakPolarHBondContact CB-O 3.42Å; Y15-Y56 AromaticContact CD2-CD1 3.54Å; Y15-Y56 HydrophobicContact CD2-CD1 3.54Å; Y15-Y56 HydrophobicContact CD2-CE1 4.02Å; Y15-Y56 HydrophobicContact CD2-CG 4.28Å; Y15-Y56 AromaticContact CE2-CD1 3.49Å; Y15-Y56 HydrophobicContact CE2-CD1 3.49Å; Y15-Y56 VanDerWaalsContact CE2-CD1 3.49Å; Y15-Y56 HydrophobicContact CE2-CE1 4.04Å; Y15-Y56 HydrophobicContact CE2-CG 4.48Å; Y15-V57 HydrophobicContact CD1-CB 4.28Å; Y15-V57 HydrophobicContact CE1-CB 4.41Å; Y15-V57 WeakPolarHBondContact CE1-O 3.41Å; Y15-E58 PolarHBondContact OH-OE2 3.5Å |
| 16 | L | 92.6 | Very high | 83 | Confident | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 131.6 | 168 | -72.8 | 176.3 | 0 | 0 | 0 | 110.7 | M1 I3 L13 A26 C27 L303 A335 | M1-L16 WeakPolarHBondContact CA-O 3.45Å; M1-L16 WeakPolarHBondContact CB-O 3.32Å; M1-L16 PolarHBondContact N-O 3.49Å; M1-L16 PolarHBondContact O-N 3.41Å; I3-L16 HydrophobicContact CD1-CD1 4.21Å; I3-L16 HydrophobicContact CD1-CG 4.36Å; L13-L16 HydrophobicContact CD1-CD2 4.02Å; L13-L16 HydrophobicContact CD1-CG 4.33Å; L13-L16 HydrophobicContact CD2-CD1 3.84Å; L13-L16 HydrophobicContact CD2-CD2 4.04Å; L13-L16 HydrophobicContact CD2-CG 3.78Å; L13-L16 HydrophobicContact CG-CG 4.37Å; L16-A26 WeakPolarHBondContact CA-O 3.5Å; L16-C27 HydrophobicContact CD2-CB 4.28Å; L16-C27 WeakPolarHBondContact CD2-SG 3.43Å; L16-L303 HydrophobicContact CB-CD1 4.02Å; L16-L303 WeakPolarHBondContact O-CD1 3.33Å; L16-A335 HydrophobicContact CD1-CB 4.33Å |
| 17 | G | 92.3 | Very high | 84.5 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 130.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F25 A26 | G17-F25 CarbonylContact O-C 3.58Å; G17-F25 WeakPolarHBondContact O-CA 3.44Å; G17-F25 WeakPolarHBondContact O-CB 3.47Å; G17-A26 PolarHBondContact N-O 3.18Å; G17-A26 PolarHBondContact O-N 2.88Å |
| 18 | F | 92.5 | Very high | 85.9 | Confident | 11 Ų | 11 | 28.1 Ų | 28.1 | 5% | 0.048 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 148 | 166.4 | -70.2 | -72 | 0 | 0 | 0 | 110.5 | C24 F25 T38 L303 A305 V331 I333 | F18-C24 WeakPolarHBondContact CA-O 3.29Å; F18-F25 HydrophobicContact CD1-CB 3.83Å; F18-F25 HydrophobicContact CE1-CB 4.21Å; F18-F25 HydrophobicContact CE1-CD1 4.46Å; F18-F25 HydrophobicContact CG-CB 4.45Å; F18-T38 HydrophobicContact CD1-CG2 4.03Å; F18-T38 HydrophobicContact CE1-CG2 3.68Å; F18-L303 HydrophobicContact CD2-CB 4.22Å; F18-L303 HydrophobicContact CE2-CB 3.69Å; F18-A305 HydrophobicContact CD2-CB 3.99Å; F18-A305 HydrophobicContact CE1-CB 4.36Å; F18-A305 HydrophobicContact CE2-CB 3.79Å; F18-A305 HydrophobicContact CG-CB 4.35Å; F18-A305 HydrophobicContact CZ-CB 3.98Å; F18-V331 HydrophobicContact CE1-CG1 4.35Å; F18-V331 HydrophobicContact CZ-CG1 4.33Å; F18-I333 HydrophobicContact CD1-CD1 4.36Å; F18-I333 HydrophobicContact CD2-CD1 4.25Å; F18-I333 HydrophobicContact CE1-CD1 3.85Å; F18-I333 HydrophobicContact CE1-CG1 4.36Å; F18-I333 HydrophobicContact CE2-CD1 3.74Å; F18-I333 HydrophobicContact CE2-CG1 3.92Å; F18-I333 HydrophobicContact CZ-CD1 3.52Å; F18-I333 HydrophobicContact CZ-CG1 3.64Å; F18-I333 HydrophobicContact CZ-CG2 4.33Å |
| 19 | N | 90.3 | Very high | 87 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.011 | 16% | 0.158 | C | C | . | . | trans | -66.8 | -179.9 | 161.5 | 74.7 | -19.8 | 0 | 0 | 0 | 110.9 | D21 S22 A23 C24 M59 F61 | N19-D21 PolarHBondContact ND2-OD1 3.2Å; N19-D21 PolarHBondContact O-N 3.43Å; N19-D21 PolarHBondContact OD1-OD1 2.96Å; N19-S22 PolarHBondContact O-N 3.26Å; N19-S22 VanDerWaalsContact OD1-CA 3.25Å; N19-S22 WeakPolarHBondContact OD1-CA 3.4Å; N19-S22 PolarHBondContact OD1-N 3.42Å; N19-A23 PolarHBondContact OD1-N 3.41Å; N19-C24 PolarHBondContact N-O 3.05Å; N19-C24 PolarHBondContact OD1-N 3.36Å; N19-C24 PolarHBondContact OD1-O 3.34Å; N19-M59 HydrophobicContact CB-CB 4.13Å; N19-M59 HydrophobicContact CB-CE 4.47Å; N19-M59 HydrophobicContact CB-SD 4.11Å; N19-F61 PolarHBondContact ND2-O 2.86Å | ||
| 20 | Q | 87.3 | Confident | 88.3 | Confident | 41 Ų | 41 | 23 Ų | 23 | 19% | 0.192 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -40.3 | -169.5 | -68.1 | 77.5 | -6.1 | 0 | 0 | 112.1 | M59 F61 L108 | Q20-M59 PolarHBondContact NE2-O 3.46Å; Q20-M59 PolarHBondContact OE1-O 3.2Å; Q20-F61 HydrophobicContact CB-CD1 3.79Å; Q20-F61 HydrophobicContact CB-CE1 3.5Å; Q20-F61 VanDerWaalsContact CB-CE1 3.5Å; Q20-F61 HydrophobicContact CB-CG 4.41Å; Q20-F61 HydrophobicContact CB-CZ 3.9Å; Q20-F61 HydrophobicContact CG-CD1 4.35Å; Q20-F61 HydrophobicContact CG-CD2 4.46Å; Q20-F61 HydrophobicContact CG-CE1 4.11Å; Q20-F61 HydrophobicContact CG-CE2 4.22Å; Q20-F61 HydrophobicContact CG-CZ 4.04Å; Q20-F61 VanDerWaalsContact OE1-CA 3.23Å; Q20-L108 PolarHBondContact NE2-O 2.69Å |
| 21 | D | 84.5 | Confident | 89.6 | Confident | 59 Ų | 59 | 22.6 Ų | 22.6 | 32% | 0.316 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 1.4 | 180 | 62.2 | 5.8 | 0 | 0 | 0 | 113.8 | N19 A23 | N19-D21 PolarHBondContact ND2-OD1 3.2Å; N19-D21 PolarHBondContact O-N 3.43Å; N19-D21 PolarHBondContact OD1-OD1 2.96Å; D21-A23 PolarHBondContact O-N 3.29Å; D21-A23 WeakPolarHBondContact OD1-CB 3.48Å; D21-A23 PolarHBondContact OD1-N 3.36Å |
| 22 | S | 88.1 | Confident | 90.9 | Very high | 10 Ų | 10 | 18.7 Ų | 18.7 | 7% | 0.07 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 61.2 | 16.8 | -176.6 | -41.7 | 0 | 0 | 0 | 0 | 114.7 | N19 C24 T38 R238 A305 | N19-S22 PolarHBondContact O-N 3.26Å; N19-S22 VanDerWaalsContact OD1-CA 3.25Å; N19-S22 WeakPolarHBondContact OD1-CA 3.4Å; N19-S22 PolarHBondContact OD1-N 3.42Å; S22-C24 VanDerWaalsContact C-N 3.33Å; S22-T38 VanDerWaalsContact O-CG2 3.26Å; S22-T38 WeakPolarHBondContact O-CG2 3.48Å; S22-T38 PolarHBondContact O-OG1 2.96Å; S22-R238 PolarHBondContact OG-NH1 3.05Å; S22-A305 WeakPolarHBondContact OG-CB 3.43Å |
| 23 | A | 85.7 | Confident | 91.2 | Very high | 3 Ų | 3 | 14.8 Ų | 14.8 | 3% | 0.025 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -80.4 | -17.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N19 D21 N37 T38 R62 S308 | N19-A23 PolarHBondContact OD1-N 3.41Å; D21-A23 PolarHBondContact O-N 3.29Å; D21-A23 WeakPolarHBondContact OD1-CB 3.48Å; D21-A23 PolarHBondContact OD1-N 3.36Å; A23-N37 PolarHBondContact O-OD1 3.48Å; A23-N37 VanDerWaalsContact O-OD1 3.08Å; A23-T38 WeakPolarHBondContact CA-OG1 3.37Å; A23-T38 PolarHBondContact O-N 2.59Å; A23-T38 PolarHBondContact O-OG1 3.44Å; A23-R62 VanDerWaalsContact CB-NH2 3.26Å; A23-R62 PolarHBondContact O-NH2 3.34Å; A23-R62 VanDerWaalsContact O-NH2 3.13Å; A23-S308 WeakPolarHBondContact CA-OG 3.31Å; A23-S308 WeakPolarHBondContact CB-OG 3.35Å |
| 24 | C | 90.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 161.6 | 174.2 | -62.6 | 0 | 0 | 0 | 0 | 110.3 | F18 N19 S22 I35 Y36 M59 | F18-C24 WeakPolarHBondContact CA-O 3.29Å; N19-C24 PolarHBondContact N-O 3.05Å; N19-C24 PolarHBondContact OD1-N 3.36Å; N19-C24 PolarHBondContact OD1-O 3.34Å; S22-C24 VanDerWaalsContact C-N 3.33Å; C24-I35 HydrophobicContact CB-CG2 4.43Å; C24-Y36 CarbonylContact C-O 3.58Å; C24-Y36 WeakPolarHBondContact CA-O 3.25Å; C24-Y36 WeakPolarHBondContact CB-O 3.19Å; C24-M59 HydrophobicContact CB-CE 3.79Å; C24-M59 HydrophobicContact CB-SD 4.19Å |
| 25 | F | 92.4 | Very high | 91.4 | Very high | 14 Ų | 14 | 16.2 Ų | 16.2 | 6% | 0.061 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 147.6 | 167.7 | 65.6 | -84.2 | 0 | 0 | 0 | 111 | G17 F18 I35 Y36 T38 L41 I333 | G17-F25 CarbonylContact O-C 3.58Å; G17-F25 WeakPolarHBondContact O-CA 3.44Å; G17-F25 WeakPolarHBondContact O-CB 3.47Å; F18-F25 HydrophobicContact CD1-CB 3.83Å; F18-F25 HydrophobicContact CE1-CB 4.21Å; F18-F25 HydrophobicContact CE1-CD1 4.46Å; F18-F25 HydrophobicContact CG-CB 4.45Å; F25-I35 WeakPolarHBondContact O-CA 3.23Å; F25-Y36 HydrophobicContact CD2-CD2 4.2Å; F25-Y36 HydrophobicContact CE1-CG 4.23Å; F25-Y36 AromaticContact CE2-CD2 3.54Å; F25-Y36 HydrophobicContact CE2-CD2 3.54Å; F25-Y36 HydrophobicContact CE2-CE2 4.44Å; F25-Y36 AromaticContact CE2-CG 3.87Å; F25-Y36 HydrophobicContact CE2-CG 3.87Å; F25-Y36 AromaticContact CZ-CD2 3.83Å; F25-Y36 HydrophobicContact CZ-CD2 3.83Å; F25-Y36 AromaticContact CZ-CG 3.64Å; F25-Y36 HydrophobicContact CZ-CG 3.64Å; F25-Y36 PolarHBondContact N-O 3.26Å; F25-Y36 PolarHBondContact O-N 3.32Å; F25-T38 HydrophobicContact CD1-CG2 3.69Å; F25-T38 HydrophobicContact CE1-CG2 4.3Å; F25-L41 HydrophobicContact CE1-CD1 3.82Å; F25-L41 HydrophobicContact CZ-CD1 3.93Å; F25-I333 HydrophobicContact CB-CD1 3.92Å; F25-I333 HydrophobicContact CD1-CD1 4.5Å; F25-I333 HydrophobicContact CD1-CG2 4.14Å; F25-I333 HydrophobicContact CD2-CD1 3.91Å; F25-I333 HydrophobicContact CD2-CG2 4.44Å; F25-I333 HydrophobicContact CE1-CG2 3.86Å; F25-I333 HydrophobicContact CE2-CG2 4.19Å; F25-I333 HydrophobicContact CG-CD1 3.87Å; F25-I333 HydrophobicContact CG-CG2 4.41Å; F25-I333 HydrophobicContact CZ-CG2 3.88Å |
| 26 | A | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 144.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L16 G17 R34 I35 V57 M59 | L16-A26 WeakPolarHBondContact CA-O 3.5Å; G17-A26 PolarHBondContact N-O 3.18Å; G17-A26 PolarHBondContact O-N 2.88Å; A26-R34 CarbonylContact C-O 3.37Å; A26-R34 WeakPolarHBondContact CA-O 3.1Å; A26-I35 HydrophobicContact CB-CG1 4.32Å; A26-V57 HydrophobicContact CB-CB 3.91Å; A26-V57 HydrophobicContact CB-CG1 3.63Å; A26-M59 HydrophobicContact CB-CG 3.85Å; A26-M59 HydrophobicContact CB-SD 3.84Å |
| 27 | C | 93.5 | Very high | 91.2 | Very high | 9 Ų | 9 | 18.5 Ų | 18.5 | 6% | 0.061 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 121 | 176.9 | -57.8 | 0 | 0 | 0 | 0 | 108.6 | L13 Y15 L16 F33 R34 | L13-C27 HydrophobicContact CD1-CB 3.9Å; Y15-C27 CarbonylContact O-C 3.51Å; Y15-C27 VanDerWaalsContact O-CA 3.23Å; Y15-C27 WeakPolarHBondContact O-CA 3.49Å; L16-C27 HydrophobicContact CD2-CB 4.28Å; L16-C27 WeakPolarHBondContact CD2-SG 3.43Å; C27-F33 CarbonylContact O-C 3.58Å; C27-F33 VanDerWaalsContact O-CA 3.24Å; C27-F33 WeakPolarHBondContact O-CA 3.47Å; C27-F33 WeakPolarHBondContact O-CB 3.22Å; C27-R34 HydrophobicContact CB-CB 4.41Å; C27-R34 PolarHBondContact N-O 2.89Å; C27-R34 PolarHBondContact O-N 2.84Å |
| 28 | G | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 134.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L14 Y15 I54 | L14-G28 PolarHBondContact N-O 2.84Å; Y15-G28 PolarHBondContact N-O 3.32Å; Y15-G28 VanDerWaalsContact N-O 3.12Å; Y15-G28 PolarHBondContact O-N 2.94Å; G28-I54 CarbonylContact C-O 3.57Å; G28-I54 VanDerWaalsContact CA-O 3.24Å; G28-I54 WeakPolarHBondContact CA-O 3.29Å |
| 29 | M | 92.8 | Very high | 90 | Very high | 20 Ų | 20 | 20.9 Ų | 20.9 | 10% | 0.099 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 164.6 | -172.4 | -57.2 | -170.9 | 61.8 | 0 | 0 | 111.4 | N12 L14 D31 G32 R34 G53 I54 | N12-M29 CarbonylContact O-C 3.56Å; N12-M29 WeakPolarHBondContact O-CA 3.37Å; L14-M29 WeakPolarHBondContact CD1-O 3.48Å; M29-D31 VanDerWaalsContact CB-OD1 3.24Å; M29-D31 WeakPolarHBondContact CB-OD1 3.23Å; M29-D31 PolarHBondContact O-N 3.01Å; M29-G32 WeakPolarHBondContact CA-O 3.41Å; M29-G32 WeakPolarHBondContact CB-O 3.48Å; M29-G32 PolarHBondContact N-O 3.42Å; M29-G32 PolarHBondContact O-N 2.99Å; M29-G32 VanDerWaalsContact O-O 3.13Å; M29-R34 HydrophobicContact SD-CB 4.39Å; M29-R34 WeakPolarHBondContact SD-CD 3.33Å; M29-R34 HydrophobicContact SD-CG 3.63Å; M29-R34 PolarHBondContact SD-NE 3.32Å; M29-G53 CarbonylContact O-C 3.55Å; M29-G53 WeakPolarHBondContact O-CA 3.42Å; M29-I54 PolarHBondContact N-O 3Å; M29-I54 PolarHBondContact O-N 3.38Å |
| 30 | Q | 91.6 | Very high | 89.6 | Confident | 48 Ų | 48 | 24.4 Ų | 24.4 | 22% | 0.224 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17.8 | 177.1 | -65.4 | -74.7 | 7.3 | 0 | 0 | 114 | S11 N12 L14 G52 G53 G72 Q73 | S11-Q30 WeakPolarHBondContact O-CG 3.44Å; S11-Q30 PolarHBondContact O-NE2 3.07Å; N12-Q30 PolarHBondContact O-N 3.47Å; L14-Q30 HydrophobicContact CD2-CG 4.45Å; L14-Q30 HydrophobicContact CG-CG 4.43Å; Q30-G52 CarbonylContact O-C 3.57Å; Q30-G52 VanDerWaalsContact O-C 3.24Å; Q30-G53 VanDerWaalsContact C-CA 3.41Å; Q30-G53 WeakPolarHBondContact O-CA 3.28Å; Q30-G53 PolarHBondContact O-N 3.45Å; Q30-G53 VanDerWaalsContact O-N 3.09Å; Q30-G72 VanDerWaalsContact OE1-CA 3.26Å; Q30-Q73 VanDerWaalsContact OE1-N 3.12Å |
| 31 | D | 91.4 | Very high | 89.4 | Confident | 49 Ų | 49 | 26.4 Ų | 26.4 | 26% | 0.262 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -0.4 | -176.7 | 55.5 | -8.5 | 0 | 0 | 0 | 113.2 | M29 E48 F49 G52 | M29-D31 VanDerWaalsContact CB-OD1 3.24Å; M29-D31 WeakPolarHBondContact CB-OD1 3.23Å; M29-D31 PolarHBondContact O-N 3.01Å; D31-E48 CarbonylContact O-C 3.6Å; D31-E48 VanDerWaalsContact O-CA 3.32Å; D31-E48 WeakPolarHBondContact O-CA 3.46Å; D31-F49 PolarHBondContact O-N 3.18Å; D31-G52 CarbonylContact C-O 3.57Å |
| 32 | G | 93 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.9 | -135.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | M29 F47 | M29-G32 WeakPolarHBondContact CA-O 3.41Å; M29-G32 WeakPolarHBondContact CB-O 3.48Å; M29-G32 PolarHBondContact N-O 3.42Å; M29-G32 PolarHBondContact O-N 2.99Å; M29-G32 VanDerWaalsContact O-O 3.13Å; G32-F47 WeakPolarHBondContact CA-O 3.34Å |
| 33 | F | 94.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 158.1 | 179.2 | 67.9 | -92.3 | 0 | 0 | 0 | 113.1 | C27 I35 F47 F49 V57 L66 L68 | C27-F33 CarbonylContact O-C 3.58Å; C27-F33 VanDerWaalsContact O-CA 3.24Å; C27-F33 WeakPolarHBondContact O-CA 3.47Å; C27-F33 WeakPolarHBondContact O-CB 3.22Å; F33-I35 HydrophobicContact CD2-CG1 4.38Å; F33-I35 HydrophobicContact CE2-CD1 4.34Å; F33-F47 HydrophobicContact CD1-CB 4.14Å; F33-F47 HydrophobicContact CD2-CB 4.46Å; F33-F47 HydrophobicContact CE1-CB 3.63Å; F33-F47 AromaticContact CE1-CD1 3.97Å; F33-F47 HydrophobicContact CE1-CD1 3.97Å; F33-F47 HydrophobicContact CE1-CG 4.01Å; F33-F47 HydrophobicContact CE2-CB 3.98Å; F33-F47 HydrophobicContact CZ-CB 3.53Å; F33-F47 HydrophobicContact CZ-CD1 4.49Å; F33-F47 HydrophobicContact CZ-CG 4.09Å; F33-F47 PolarHBondContact N-O 3.29Å; F33-F47 PolarHBondContact O-N 2.72Å; F33-F49 HydrophobicContact CD1-CE2 4.06Å; F33-F49 HydrophobicContact CE1-CE2 4.2Å; F33-F49 HydrophobicContact CE1-CZ 4.23Å; F33-V57 HydrophobicContact CB-CG1 4.48Å; F33-V57 HydrophobicContact CB-CG2 3.68Å; F33-V57 HydrophobicContact CD2-CG1 4.5Å; F33-V57 HydrophobicContact CG-CG2 4.42Å; F33-L66 HydrophobicContact CD2-CD1 4.32Å; F33-L66 HydrophobicContact CE2-CD1 3.54Å; F33-L66 HydrophobicContact CZ-CD1 3.79Å; F33-L68 HydrophobicContact CD1-CD1 4.3Å; F33-L68 HydrophobicContact CD1-CD2 4.12Å; F33-L68 HydrophobicContact CE1-CD1 3.97Å; F33-L68 HydrophobicContact CE1-CD2 4.26Å |
| 34 | R | 93.4 | Very high | 89.8 | Confident | 47 Ų | 47 | 36.4 Ų | 36.4 | 18% | 0.177 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 147.8 | 176.9 | -60.5 | -174.2 | -168.7 | 171.9 | 4.2 | 111 | A26 C27 M29 Y36 E45 R46 E48 | A26-R34 CarbonylContact C-O 3.37Å; A26-R34 WeakPolarHBondContact CA-O 3.1Å; C27-R34 HydrophobicContact CB-CB 4.41Å; C27-R34 PolarHBondContact N-O 2.89Å; C27-R34 PolarHBondContact O-N 2.84Å; M29-R34 HydrophobicContact SD-CB 4.39Å; M29-R34 WeakPolarHBondContact SD-CD 3.33Å; M29-R34 HydrophobicContact SD-CG 3.63Å; M29-R34 PolarHBondContact SD-NE 3.32Å; R34-Y36 HydrophobicContact CB-CD2 4.41Å; R34-Y36 HydrophobicContact CB-CE2 3.58Å; R34-Y36 WeakPolarHBondContact CD-OH 3.05Å; R34-E45 WeakPolarHBondContact CA-O 3.45Å; R34-R46 HydrophobicContact CG-CB 4.22Å; R34-R46 HydrophobicContact CG-CG 4.06Å; R34-E48 IonicContact NH2-OE1 2.6Å; R34-E48 PolarHBondContact NH2-OE1 3.25Å |
| 35 | I | 93.4 | Very high | 89.8 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132 | 176.8 | -55.8 | 171.8 | 0 | 0 | 0 | 109 | C24 F25 A26 F33 K44 E45 M59 L66 | C24-I35 HydrophobicContact CB-CG2 4.43Å; F25-I35 WeakPolarHBondContact O-CA 3.23Å; A26-I35 HydrophobicContact CB-CG1 4.32Å; F33-I35 HydrophobicContact CD2-CG1 4.38Å; F33-I35 HydrophobicContact CE2-CD1 4.34Å; I35-K44 PolarHBondContact O-N 3.28Å; I35-E45 HydrophobicContact CB-CB 4.09Å; I35-E45 HydrophobicContact CD1-CB 4.34Å; I35-E45 HydrophobicContact CG1-CB 4.42Å; I35-E45 PolarHBondContact N-O 2.85Å; I35-E45 PolarHBondContact O-N 2.82Å; I35-M59 HydrophobicContact CD1-CE 4.24Å; I35-M59 HydrophobicContact CG2-CE 3.48Å; I35-M59 VanDerWaalsContact CG2-CE 3.48Å; I35-M59 HydrophobicContact CG2-SD 3.81Å; I35-L66 HydrophobicContact CD1-CD1 3.87Å; I35-L66 HydrophobicContact CD1-CD2 4.04Å |
| 36 | Y | 91.3 | Very high | 89.7 | Confident | 42 Ų | 42 | 44.6 Ų | 44.6 | 17% | 0.165 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 142.7 | -178.8 | -64.2 | -88.9 | 0 | 0 | 0 | 110.3 | C24 F25 R34 I42 E43 | C24-Y36 CarbonylContact C-O 3.58Å; C24-Y36 WeakPolarHBondContact CA-O 3.25Å; C24-Y36 WeakPolarHBondContact CB-O 3.19Å; F25-Y36 HydrophobicContact CD2-CD2 4.2Å; F25-Y36 HydrophobicContact CE1-CG 4.23Å; F25-Y36 AromaticContact CE2-CD2 3.54Å; F25-Y36 HydrophobicContact CE2-CD2 3.54Å; F25-Y36 HydrophobicContact CE2-CE2 4.44Å; F25-Y36 AromaticContact CE2-CG 3.87Å; F25-Y36 HydrophobicContact CE2-CG 3.87Å; F25-Y36 AromaticContact CZ-CD2 3.83Å; F25-Y36 HydrophobicContact CZ-CD2 3.83Å; F25-Y36 AromaticContact CZ-CG 3.64Å; F25-Y36 HydrophobicContact CZ-CG 3.64Å; F25-Y36 PolarHBondContact N-O 3.26Å; F25-Y36 PolarHBondContact O-N 3.32Å; R34-Y36 HydrophobicContact CB-CD2 4.41Å; R34-Y36 HydrophobicContact CB-CE2 3.58Å; R34-Y36 WeakPolarHBondContact CD-OH 3.05Å; Y36-I42 CarbonylContact C-O 3.6Å; Y36-I42 WeakPolarHBondContact CA-O 3.13Å; Y36-E43 HydrophobicContact CD1-CB 3.82Å; Y36-E43 HydrophobicContact CD1-CG 4.13Å; Y36-E43 HydrophobicContact CE1-CB 3.52Å; Y36-E43 HydrophobicContact CE1-CG 3.58Å; Y36-E43 VanDerWaalsContact CE1-OE2 3.24Å; Y36-E43 WeakPolarHBondContact CE1-OE2 3.32Å; Y36-E43 VanDerWaalsContact CZ-OE2 3.27Å; Y36-E43 PolarHBondContact OH-OE2 3.23Å |
| 37 | N | 89.5 | Confident | 89.6 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 10% | 0.102 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 143.5 | 163.2 | -169.1 | 56.9 | 0 | 0 | 0 | 109.1 | A23 D39 P40 L41 I42 K44 R62 | A23-N37 PolarHBondContact O-OD1 3.48Å; A23-N37 VanDerWaalsContact O-OD1 3.08Å; N37-D39 PolarHBondContact ND2-O 3.35Å; N37-P40 PolarHBondContact ND2-O 2.98Å; N37-L41 WeakPolarHBondContact O-CA 3.19Å; N37-I42 HydrophobicContact CB-CB 4.41Å; N37-I42 PolarHBondContact N-O 3.48Å; N37-K44 HydrophobicContact CB-CD 4.17Å; N37-K44 HydrophobicContact CB-CG 4.11Å; N37-R62 PolarHBondContact OD1-NH2 3.37Å |
| 38 | T | 85.4 | Confident | 89.5 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -40.1 | -179.6 | 47.8 | 0 | 0 | 0 | 0 | 113.2 | F18 S22 A23 F25 V331 Y339 | F18-T38 HydrophobicContact CD1-CG2 4.03Å; F18-T38 HydrophobicContact CE1-CG2 3.68Å; S22-T38 VanDerWaalsContact O-CG2 3.26Å; S22-T38 WeakPolarHBondContact O-CG2 3.48Å; S22-T38 PolarHBondContact O-OG1 2.96Å; A23-T38 WeakPolarHBondContact CA-OG1 3.37Å; A23-T38 PolarHBondContact O-N 2.59Å; A23-T38 PolarHBondContact O-OG1 3.44Å; F25-T38 HydrophobicContact CD1-CG2 3.69Å; F25-T38 HydrophobicContact CE1-CG2 4.3Å; T38-V331 HydrophobicContact CG2-CG1 4.39Å; T38-Y339 PolarHBondContact O-OH 3.43Å |
| 39 | D | 75.2 | Confident | 89.1 | Confident | 67 Ų | 67 | 52 Ų | 52 | 36% | 0.358 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -144.1 | 116.2 | 179.1 | -170.6 | 22.9 | 0 | 0 | 0 | 111.6 | N37 | N37-D39 PolarHBondContact ND2-O 3.35Š|
| 40 | P | 80 | Confident | 88.3 | Confident | 76 Ų | 76 | 54.6 Ų | 54.6 | 49% | 0.494 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -63.7 | 153.8 | -11.5 | 29.8 | -36.2 | 0 | 0 | 0 | 111.4 | N37 I42 | N37-P40 PolarHBondContact ND2-O 2.98Å; P40-I42 HydrophobicContact CB-CD1 4.33Å; P40-I42 HydrophobicContact CB-CG1 4.31Å; P40-I42 HydrophobicContact CG-CD1 3.6Å; P40-I42 HydrophobicContact CG-CG1 4.04Å; P40-I42 PolarHBondContact O-N 3.42Å |
| 41 | L | 85 | Confident | 87.8 | Confident | 83 Ų | 83 | 57.1 Ų | 57.1 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 105.2 | 174.3 | -178.9 | 69.5 | 0 | 0 | 0 | 109.9 | F25 N37 Y339 | F25-L41 HydrophobicContact CE1-CD1 3.82Å; F25-L41 HydrophobicContact CZ-CD1 3.93Å; N37-L41 WeakPolarHBondContact O-CA 3.19Å; L41-Y339 HydrophobicContact CB-CE1 4.33Å; L41-Y339 HydrophobicContact CD1-CD2 3.82Å; L41-Y339 HydrophobicContact CD1-CE2 3.99Å; L41-Y339 HydrophobicContact CD1-CG 4.26Å; L41-Y339 HydrophobicContact CD2-CD1 3.87Å; L41-Y339 HydrophobicContact CD2-CD2 4.12Å; L41-Y339 HydrophobicContact CD2-CE1 4.49Å; L41-Y339 HydrophobicContact CD2-CG 3.69Å; L41-Y339 HydrophobicContact CG-CD2 4.45Å; L41-Y339 HydrophobicContact CG-CG 4.45Å |
| 42 | I | 88.6 | Confident | 87.7 | Confident | 95 Ų | 95 | 55 Ų | 55 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 131.5 | -179.1 | -63.9 | 179.7 | 0 | 0 | 0 | 108.6 | Y36 N37 P40 K44 | Y36-I42 CarbonylContact C-O 3.6Å; Y36-I42 WeakPolarHBondContact CA-O 3.13Å; N37-I42 HydrophobicContact CB-CB 4.41Å; N37-I42 PolarHBondContact N-O 3.48Å; P40-I42 HydrophobicContact CB-CD1 4.33Å; P40-I42 HydrophobicContact CB-CG1 4.31Å; P40-I42 HydrophobicContact CG-CD1 3.6Å; P40-I42 HydrophobicContact CG-CG1 4.04Å; P40-I42 PolarHBondContact O-N 3.42Å; I42-K44 PolarHBondContact O-N 3.35Å |
| 43 | E | 90.2 | Very high | 87.7 | Confident | 82 Ų | 82 | 55 Ų | 55 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 114.5 | 167.9 | -167.7 | 167.2 | 120.7 | 0 | 0 | 108.8 | Y36 R46 | Y36-E43 HydrophobicContact CD1-CB 3.82Å; Y36-E43 HydrophobicContact CD1-CG 4.13Å; Y36-E43 HydrophobicContact CE1-CB 3.52Å; Y36-E43 HydrophobicContact CE1-CG 3.58Å; Y36-E43 VanDerWaalsContact CE1-OE2 3.24Å; Y36-E43 WeakPolarHBondContact CE1-OE2 3.32Å; Y36-E43 VanDerWaalsContact CZ-OE2 3.27Å; Y36-E43 PolarHBondContact OH-OE2 3.23Å; E43-R46 WeakPolarHBondContact OE1-CB 3.31Å; E43-R46 WeakPolarHBondContact OE1-CD 3.27Å |
| 44 | K | 87.8 | Confident | 87.7 | Confident | 106 Ų | 106 | 54.9 Ų | 54.9 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -43.4 | -179.4 | -69.2 | -169.2 | 73.4 | -161.3 | 0 | 111.6 | I35 N37 I42 | I35-K44 PolarHBondContact O-N 3.28Å; N37-K44 HydrophobicContact CB-CD 4.17Å; N37-K44 HydrophobicContact CB-CG 4.11Å; I42-K44 PolarHBondContact O-N 3.35Å |
| 45 | E | 89.1 | Confident | 87.6 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 28% | 0.276 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 137.7 | -167.2 | -76.1 | -86 | 170.8 | 0 | 0 | 108.3 | R34 I35 K90 | R34-E45 WeakPolarHBondContact CA-O 3.45Å; I35-E45 HydrophobicContact CB-CB 4.09Å; I35-E45 HydrophobicContact CD1-CB 4.34Å; I35-E45 HydrophobicContact CG1-CB 4.42Å; I35-E45 PolarHBondContact N-O 2.85Å; I35-E45 PolarHBondContact O-N 2.82Å; E45-K90 IonicContact OE1-NZ 3.57Å; E45-K90 PolarHBondContact OE1-NZ 2.81Å; E45-K90 IonicContact OE2-NZ 2.66Å; E45-K90 PolarHBondContact OE2-NZ 2.77Å |
| 46 | R | 91.6 | Very high | 87.7 | Confident | 127 Ų | 127 | 53.2 Ų | 53.2 | 48% | 0.479 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 123.5 | 171.6 | 171.5 | 174.1 | 177 | -168 | -7.7 | 107.3 | R34 E43 E48 | R34-R46 HydrophobicContact CG-CB 4.22Å; R34-R46 HydrophobicContact CG-CG 4.06Å; E43-R46 WeakPolarHBondContact OE1-CB 3.31Å; E43-R46 WeakPolarHBondContact OE1-CD 3.27Å; R46-E48 HydrophobicContact CG-CG 4.3Å; R46-E48 IonicContact CZ-OE1 3.48Å; R46-E48 IonicContact CZ-OE2 2.77Å; R46-E48 VanDerWaalsContact NE-CD 3.31Å; R46-E48 IonicContact NE-OE1 3.75Å; R46-E48 PolarHBondContact NE-OE1 3.23Å; R46-E48 IonicContact NE-OE2 2.67Å; R46-E48 VanDerWaalsContact NH2-CD 3.27Å; R46-E48 IonicContact NH2-OE1 2.91Å; R46-E48 PolarHBondContact NH2-OE1 2.89Å; R46-E48 IonicContact NH2-OE2 3.95Å; R46-E48 PolarHBondContact NH2-OE2 3.06Å |
| 47 | F | 91.3 | Very high | 87.9 | Confident | 46 Ų | 46 | 51.3 Ų | 51.3 | 20% | 0.202 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.9 | 176.9 | -162.6 | -89.5 | 0 | 0 | 0 | 109.2 | G32 F33 F49 W85 K90 | G32-F47 WeakPolarHBondContact CA-O 3.34Å; F33-F47 HydrophobicContact CD1-CB 4.14Å; F33-F47 HydrophobicContact CD2-CB 4.46Å; F33-F47 HydrophobicContact CE1-CB 3.63Å; F33-F47 AromaticContact CE1-CD1 3.97Å; F33-F47 HydrophobicContact CE1-CD1 3.97Å; F33-F47 HydrophobicContact CE1-CG 4.01Å; F33-F47 HydrophobicContact CE2-CB 3.98Å; F33-F47 HydrophobicContact CZ-CB 3.53Å; F33-F47 HydrophobicContact CZ-CD1 4.49Å; F33-F47 HydrophobicContact CZ-CG 4.09Å; F33-F47 PolarHBondContact N-O 3.29Å; F33-F47 PolarHBondContact O-N 2.72Å; F47-F49 HydrophobicContact CD1-CD1 4.2Å; F47-F49 HydrophobicContact CD1-CD2 4.21Å; F47-F49 AromaticContact CD1-CE1 3.87Å; F47-F49 HydrophobicContact CD1-CE1 3.87Å; F47-F49 AromaticContact CD1-CE2 3.84Å; F47-F49 HydrophobicContact CD1-CE2 3.84Å; F47-F49 HydrophobicContact CD1-CG 4.36Å; F47-F49 AromaticContact CD1-CZ 3.67Å; F47-F49 HydrophobicContact CD1-CZ 3.67Å; F47-F49 AromaticContact CE1-CD1 3.62Å; F47-F49 HydrophobicContact CE1-CD1 3.62Å; F47-F49 HydrophobicContact CE1-CD2 4.43Å; F47-F49 AromaticContact CE1-CE1 3.37Å; F47-F49 HydrophobicContact CE1-CE1 3.37Å; F47-F49 HydrophobicContact CE1-CE2 4.2Å; F47-F49 HydrophobicContact CE1-CG 4.16Å; F47-F49 AromaticContact CE1-CZ 3.68Å; F47-F49 HydrophobicContact CE1-CZ 3.68Å; F47-F49 HydrophobicContact CZ-CE1 4.45Å; F47-W85 HydrophobicContact CD1-CZ2 4.32Å; F47-W85 AromaticContact CE1-CH2 3.94Å; F47-W85 HydrophobicContact CE1-CH2 3.94Å; F47-W85 AromaticContact CE1-CZ2 3.78Å; F47-W85 HydrophobicContact CE1-CZ2 3.78Å; F47-W85 HydrophobicContact CE2-CZ2 4.03Å; F47-W85 AromaticContact CZ-CH2 3.91Å; F47-W85 HydrophobicContact CZ-CH2 3.91Å; F47-W85 AromaticContact CZ-CZ2 3.6Å; F47-W85 HydrophobicContact CZ-CZ2 3.6Å; F47-K90 HydrophobicContact CD2-CD 3.97Å; F47-K90 HydrophobicContact CE2-CB 3.95Å; F47-K90 HydrophobicContact CE2-CD 4.02Å; F47-K90 HydrophobicContact CE2-CG 4.16Å |
| 48 | E | 91.3 | Very high | 88.1 | Confident | 83 Ų | 83 | 51.1 Ų | 51.1 | 39% | 0.388 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.9 | -179.3 | -68.9 | -177.5 | 166.7 | 0 | 0 | 108.9 | D31 R34 R46 | D31-E48 CarbonylContact O-C 3.6Å; D31-E48 VanDerWaalsContact O-CA 3.32Å; D31-E48 WeakPolarHBondContact O-CA 3.46Å; R34-E48 IonicContact NH2-OE1 2.6Å; R34-E48 PolarHBondContact NH2-OE1 3.25Å; R46-E48 HydrophobicContact CG-CG 4.3Å; R46-E48 IonicContact CZ-OE1 3.48Å; R46-E48 IonicContact CZ-OE2 2.77Å; R46-E48 VanDerWaalsContact NE-CD 3.31Å; R46-E48 IonicContact NE-OE1 3.75Å; R46-E48 PolarHBondContact NE-OE1 3.23Å; R46-E48 IonicContact NE-OE2 2.67Å; R46-E48 VanDerWaalsContact NH2-CD 3.27Å; R46-E48 IonicContact NH2-OE1 2.91Å; R46-E48 PolarHBondContact NH2-OE1 2.89Å; R46-E48 IonicContact NH2-OE2 3.95Å; R46-E48 PolarHBondContact NH2-OE2 3.06Å |
| 49 | F | 85.4 | Confident | 88.5 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 16% | 0.158 | 27% | 0.27 | C | S | . | . | trans | -83.5 | -20.5 | 177.4 | -65.5 | -82.7 | 0 | 0 | 0 | 111.8 | D31 F33 F47 D51 I54 L68 K76 Y77 W85 | D31-F49 PolarHBondContact O-N 3.18Å; F33-F49 HydrophobicContact CD1-CE2 4.06Å; F33-F49 HydrophobicContact CE1-CE2 4.2Å; F33-F49 HydrophobicContact CE1-CZ 4.23Å; F47-F49 HydrophobicContact CD1-CD1 4.2Å; F47-F49 HydrophobicContact CD1-CD2 4.21Å; F47-F49 AromaticContact CD1-CE1 3.87Å; F47-F49 HydrophobicContact CD1-CE1 3.87Å; F47-F49 AromaticContact CD1-CE2 3.84Å; F47-F49 HydrophobicContact CD1-CE2 3.84Å; F47-F49 HydrophobicContact CD1-CG 4.36Å; F47-F49 AromaticContact CD1-CZ 3.67Å; F47-F49 HydrophobicContact CD1-CZ 3.67Å; F47-F49 AromaticContact CE1-CD1 3.62Å; F47-F49 HydrophobicContact CE1-CD1 3.62Å; F47-F49 HydrophobicContact CE1-CD2 4.43Å; F47-F49 AromaticContact CE1-CE1 3.37Å; F47-F49 HydrophobicContact CE1-CE1 3.37Å; F47-F49 HydrophobicContact CE1-CE2 4.2Å; F47-F49 HydrophobicContact CE1-CG 4.16Å; F47-F49 AromaticContact CE1-CZ 3.68Å; F47-F49 HydrophobicContact CE1-CZ 3.68Å; F47-F49 HydrophobicContact CZ-CE1 4.45Å; F49-D51 PolarHBondContact O-N 3.13Å; F49-D51 VanDerWaalsContact O-N 3.17Å; F49-I54 HydrophobicContact CD2-CD1 4.33Å; F49-I54 HydrophobicContact CD2-CG1 4.23Å; F49-I54 HydrophobicContact CE2-CD1 3.76Å; F49-I54 HydrophobicContact CE2-CG1 3.74Å; F49-I54 HydrophobicContact CZ-CD1 4.4Å; F49-L68 HydrophobicContact CZ-CD1 4.25Å; F49-K76 HydrophobicContact CB-CD 3.95Å; F49-K76 HydrophobicContact CB-CG 4.21Å; F49-K76 HydrophobicContact CD1-CD 4.12Å; F49-K76 HydrophobicContact CD1-CG 3.91Å; F49-K76 HydrophobicContact CD2-CB 4.49Å; F49-K76 HydrophobicContact CD2-CG 4.17Å; F49-K76 HydrophobicContact CE1-CG 4.29Å; F49-K76 HydrophobicContact CG-CD 4.07Å; F49-K76 HydrophobicContact CG-CG 3.84Å; F49-Y77 HydrophobicContact CE1-CE2 4.49Å; F49-Y77 HydrophobicContact CZ-CE2 4.25Å; F49-W85 AromaticContact CE1-CH2 3.83Å; F49-W85 HydrophobicContact CE1-CH2 3.83Å; F49-W85 AromaticContact CE1-CZ3 3.93Å; F49-W85 HydrophobicContact CE1-CZ3 3.93Å; F49-W85 HydrophobicContact CZ-CH2 4.28Å; F49-W85 HydrophobicContact CZ-CZ3 4.27Å | ||
| 50 | G | 76.1 | Confident | 89 | Confident | 73 Ų | 73 | 48.8 Ų | 48.8 | 75% | 0.753 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 79.8 | -25.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 51 | D | 81.3 | Confident | 89 | Confident | 102 Ų | 102 | 47.3 Ų | 47.3 | 55% | 0.545 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -132.2 | 12.4 | -172.4 | 68 | -21.6 | 0 | 0 | 0 | 114.8 | F49 K76 | F49-D51 PolarHBondContact O-N 3.13Å; F49-D51 VanDerWaalsContact O-N 3.17Å; D51-K76 WeakPolarHBondContact OD1-CD 3.44Å; D51-K76 IonicContact OD1-NZ 3.84Å; D51-K76 PolarHBondContact OD1-NZ 3.41Å; D51-K76 IonicContact OD2-NZ 3.53Å; D51-K76 PolarHBondContact OD2-NZ 2.72Å |
| 52 | G | 88.3 | Confident | 88.6 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | trans | -175.6 | 158 | 172.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q30 D31 H74 | Q30-G52 CarbonylContact O-C 3.57Å; Q30-G52 VanDerWaalsContact O-C 3.24Å; D31-G52 CarbonylContact C-O 3.57Å; G52-H74 CarbonylContact C-O 3.57Å; G52-H74 WeakPolarHBondContact CA-O 3.45Å | ||
| 53 | G | 92.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -95.8 | 155.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | M29 Q30 G71 H74 K76 | M29-G53 CarbonylContact O-C 3.55Å; M29-G53 WeakPolarHBondContact O-CA 3.42Å; Q30-G53 VanDerWaalsContact C-CA 3.41Å; Q30-G53 WeakPolarHBondContact O-CA 3.28Å; Q30-G53 PolarHBondContact O-N 3.45Å; Q30-G53 VanDerWaalsContact O-N 3.09Å; G53-G71 CarbonylContact C-O 3.56Å; G53-G71 WeakPolarHBondContact CA-O 3.48Å; G53-G71 PolarHBondContact O-N 3.37Å; G53-H74 PolarHBondContact N-O 3.49Å; G53-K76 PolarHBondContact O-N 3.43Å |
| 54 | I | 95 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 115.4 | 177.8 | -56 | -62.4 | 0 | 0 | 0 | 109.6 | L14 G28 M29 F49 Y56 V57 L68 K76 Y77 | L14-I54 WeakPolarHBondContact CD1-O 3.25Å; G28-I54 CarbonylContact C-O 3.57Å; G28-I54 VanDerWaalsContact CA-O 3.24Å; G28-I54 WeakPolarHBondContact CA-O 3.29Å; M29-I54 PolarHBondContact N-O 3Å; M29-I54 PolarHBondContact O-N 3.38Å; F49-I54 HydrophobicContact CD2-CD1 4.33Å; F49-I54 HydrophobicContact CD2-CG1 4.23Å; F49-I54 HydrophobicContact CE2-CD1 3.76Å; F49-I54 HydrophobicContact CE2-CG1 3.74Å; F49-I54 HydrophobicContact CZ-CD1 4.4Å; I54-Y56 VanDerWaalsContact CG2-O 3.23Å; I54-Y56 WeakPolarHBondContact CG2-O 3.21Å; I54-V57 HydrophobicContact CB-CG2 4.43Å; I54-V57 HydrophobicContact CG2-CG2 3.52Å; I54-L68 HydrophobicContact CG2-CB 4.3Å; I54-L68 HydrophobicContact CG2-CD2 4.21Å; I54-K76 HydrophobicContact CD1-CB 4Å; I54-Y77 HydrophobicContact CD1-CD2 3.81Å; I54-Y77 HydrophobicContact CD1-CE2 4.1Å |
| 55 | G | 92.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -30.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H2 Y15 V69 | H2-G55 PolarHBondContact CD2-O 3.47Å; H2-G55 PolarHBondContact NE2-O 3.46Å; Y15-G55 WeakPolarHBondContact CB-O 3.42Å; G55-V69 PolarHBondContact N-O 3.48Å |
| 56 | Y | 94.9 | Very high | 87.7 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 7% | 0.071 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 138.4 | 172.4 | -67.5 | -90.9 | 0 | 0 | 0 | 110.9 | H2 Y15 I54 L68 V69 V103 C104 | H2-Y56 HydrophobicContact CB-CE1 3.9Å; H2-Y56 VanDerWaalsContact CB-OH 3.27Å; H2-Y56 WeakPolarHBondContact CB-OH 3.37Å; H2-Y56 AromaticContact CD2-CD2 3.86Å; H2-Y56 AromaticContact CD2-CE1 3.75Å; H2-Y56 AromaticContact CD2-CE2 3.31Å; H2-Y56 WeakPolarHBondContact CD2-CE2 3.31Å; H2-Y56 AromaticContact CD2-CZ 3.22Å; H2-Y56 PolarHBondContact CD2-OH 2.92Å; H2-Y56 AromaticContact CG-CZ 3.64Å; H2-Y56 AromaticContact NE2-CE2 3.77Å; Y15-Y56 AromaticContact CD2-CD1 3.54Å; Y15-Y56 HydrophobicContact CD2-CD1 3.54Å; Y15-Y56 HydrophobicContact CD2-CE1 4.02Å; Y15-Y56 HydrophobicContact CD2-CG 4.28Å; Y15-Y56 AromaticContact CE2-CD1 3.49Å; Y15-Y56 HydrophobicContact CE2-CD1 3.49Å; Y15-Y56 VanDerWaalsContact CE2-CD1 3.49Å; Y15-Y56 HydrophobicContact CE2-CE1 4.04Å; Y15-Y56 HydrophobicContact CE2-CG 4.48Å; I54-Y56 VanDerWaalsContact CG2-O 3.23Å; I54-Y56 WeakPolarHBondContact CG2-O 3.21Å; Y56-L68 WeakPolarHBondContact O-CA 3.45Å; Y56-V69 HydrophobicContact CD2-CB 4.05Å; Y56-V69 HydrophobicContact CD2-CG1 4.27Å; Y56-V69 HydrophobicContact CD2-CG2 4.48Å; Y56-V69 HydrophobicContact CG-CB 4.49Å; Y56-V69 PolarHBondContact N-O 2.92Å; Y56-V69 VanDerWaalsContact N-O 3.16Å; Y56-V69 PolarHBondContact O-N 2.91Å; Y56-V69 VanDerWaalsContact O-N 3.08Å; Y56-V103 WeakPolarHBondContact CE2-O 3.19Å; Y56-C104 WeakPolarHBondContact CE1-O 3.32Å; Y56-C104 PolarHBondContact OH-O 3.4Å |
| 57 | V | 95.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 102.9 | 173.5 | -172.1 | 0 | 0 | 0 | 0 | 107.7 | Y15 A26 F33 I54 A67 L68 | Y15-V57 HydrophobicContact CD1-CB 4.28Å; Y15-V57 HydrophobicContact CE1-CB 4.41Å; Y15-V57 WeakPolarHBondContact CE1-O 3.41Å; A26-V57 HydrophobicContact CB-CB 3.91Å; A26-V57 HydrophobicContact CB-CG1 3.63Å; F33-V57 HydrophobicContact CB-CG1 4.48Å; F33-V57 HydrophobicContact CB-CG2 3.68Å; F33-V57 HydrophobicContact CD2-CG1 4.5Å; F33-V57 HydrophobicContact CG-CG2 4.42Å; I54-V57 HydrophobicContact CB-CG2 4.43Å; I54-V57 HydrophobicContact CG2-CG2 3.52Å; V57-A67 WeakPolarHBondContact CA-O 3.32Å; V57-L68 HydrophobicContact CB-CD2 4.42Å; V57-L68 HydrophobicContact CG1-CD2 3.94Å; V57-L68 HydrophobicContact CG2-CD2 4.18Å |
| 58 | E | 94.7 | Very high | 88.1 | Confident | 15 Ų | 15 | 34.9 Ų | 34.9 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.3 | 174.5 | -169.8 | 75.4 | -178.5 | 0 | 0 | 110 | Y15 L66 A67 V106 K107 L108 | Y15-E58 PolarHBondContact OH-OE2 3.5Å; E58-L66 WeakPolarHBondContact O-CA 3.42Å; E58-A67 HydrophobicContact CB-CB 4.31Å; E58-A67 PolarHBondContact N-O 3.2Å; E58-A67 PolarHBondContact O-N 2.95Å; E58-V106 WeakPolarHBondContact CB-O 3.5Å; E58-V106 VanDerWaalsContact CG-O 3.3Å; E58-V106 WeakPolarHBondContact CG-O 3.45Å; E58-K107 WeakPolarHBondContact OE1-CD 3.36Å; E58-K107 IonicContact OE1-NZ 3.72Å; E58-K107 PolarHBondContact OE1-NZ 2.6Å; E58-K107 IonicContact OE2-NZ 2.68Å; E58-K107 PolarHBondContact OE2-NZ 3.26Å; E58-L108 HydrophobicContact CG-CG 4.33Å |
| 59 | M | 92.3 | Very high | 88.4 | Confident | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.059 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 141.9 | 174.1 | -59.2 | 176.1 | 69.1 | 0 | 0 | 110.4 | N19 Q20 C24 A26 I35 L66 | N19-M59 HydrophobicContact CB-CB 4.13Å; N19-M59 HydrophobicContact CB-CE 4.47Å; N19-M59 HydrophobicContact CB-SD 4.11Å; Q20-M59 PolarHBondContact NE2-O 3.46Å; Q20-M59 PolarHBondContact OE1-O 3.2Å; C24-M59 HydrophobicContact CB-CE 3.79Å; C24-M59 HydrophobicContact CB-SD 4.19Å; A26-M59 HydrophobicContact CB-CG 3.85Å; A26-M59 HydrophobicContact CB-SD 3.84Å; I35-M59 HydrophobicContact CD1-CE 4.24Å; I35-M59 HydrophobicContact CG2-CE 3.48Å; I35-M59 VanDerWaalsContact CG2-CE 3.48Å; I35-M59 HydrophobicContact CG2-SD 3.81Å; M59-L66 HydrophobicContact CB-CD2 4.18Å; M59-L66 HydrophobicContact CG-CD2 3.84Å |
| 60 | L | 86 | Confident | 88.8 | Confident | 7 Ų | 7 | 29.5 Ų | 29.5 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | trans | -95.3 | 96.8 | 161.3 | -178.7 | 60.8 | 0 | 0 | 0 | 109.3 | R62 C63 Y65 L108 | L60-R62 PolarHBondContact O-N 3.3Å; L60-C63 HydrophobicContact CB-CB 4.41Å; L60-C63 HydrophobicContact CD2-CB 4.48Å; L60-C63 HydrophobicContact CG-CB 4.29Å; L60-C63 WeakPolarHBondContact O-CA 3.43Å; L60-C63 WeakPolarHBondContact O-CB 3.36Å; L60-C63 PolarHBondContact O-N 2.93Å; L60-C63 PolarHBondContact O-SG 2.88Å; L60-C63 VanDerWaalsContact O-SG 3.4Å; L60-Y65 PolarHBondContact N-O 3.29Å; L60-L108 HydrophobicContact CB-CB 4.02Å; L60-L108 HydrophobicContact CB-CD1 4.03Å; L60-L108 HydrophobicContact CD1-CB 4.04Å; L60-L108 HydrophobicContact CG-CB 4.49Å | ||
| 61 | F | 80.8 | Confident | 89.5 | Confident | 44 Ų | 44 | 26.5 Ų | 26.5 | 19% | 0.193 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | -116.8 | -174.5 | -68 | -84.2 | 0 | 0 | 0 | 112.5 | N19 Q20 | N19-F61 PolarHBondContact ND2-O 2.86Å; Q20-F61 HydrophobicContact CB-CD1 3.79Å; Q20-F61 HydrophobicContact CB-CE1 3.5Å; Q20-F61 VanDerWaalsContact CB-CE1 3.5Å; Q20-F61 HydrophobicContact CB-CG 4.41Å; Q20-F61 HydrophobicContact CB-CZ 3.9Å; Q20-F61 HydrophobicContact CG-CD1 4.35Å; Q20-F61 HydrophobicContact CG-CD2 4.46Å; Q20-F61 HydrophobicContact CG-CE1 4.11Å; Q20-F61 HydrophobicContact CG-CE2 4.22Å; Q20-F61 HydrophobicContact CG-CZ 4.04Å; Q20-F61 VanDerWaalsContact OE1-CA 3.23Å |
| 62 | R | 76.7 | Confident | 89.9 | Confident | 129 Ų | 129 | 23.3 Ų | 23.3 | 49% | 0.487 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 33.2 | 169.5 | -64.6 | -179.4 | 175.3 | -151.1 | -8.8 | 109.8 | A23 N37 L60 | A23-R62 VanDerWaalsContact CB-NH2 3.26Å; A23-R62 PolarHBondContact O-NH2 3.34Å; A23-R62 VanDerWaalsContact O-NH2 3.13Å; N37-R62 PolarHBondContact OD1-NH2 3.37Å; L60-R62 PolarHBondContact O-N 3.3Å |
| 63 | C | 71.1 | Confident | 89.8 | Confident | 58 Ų | 58 | 30.5 Ų | 30.5 | 39% | 0.392 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -87 | 173 | -177 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | L60 Y65 | L60-C63 HydrophobicContact CB-CB 4.41Å; L60-C63 HydrophobicContact CD2-CB 4.48Å; L60-C63 HydrophobicContact CG-CB 4.29Å; L60-C63 WeakPolarHBondContact O-CA 3.43Å; L60-C63 WeakPolarHBondContact O-CB 3.36Å; L60-C63 PolarHBondContact O-N 2.93Å; L60-C63 PolarHBondContact O-SG 2.88Å; L60-C63 VanDerWaalsContact O-SG 3.4Å; C63-Y65 VanDerWaalsContact C-N 3.26Å; C63-Y65 PolarHBondContact O-N 3.2Å |
| 64 | K | 81.9 | Confident | 89.7 | Confident | 76 Ų | 76 | 37 Ų | 37 | 33% | 0.33 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -63.1 | -23.1 | -178.5 | -171 | -178.5 | -156.4 | -141.1 | 0 | 114.6 | D86 D87 V88 | K64-D86 VanDerWaalsContact CE-CG 3.44Å; K64-D86 WeakPolarHBondContact CE-OD1 3.24Å; K64-D86 WeakPolarHBondContact CE-OD2 3.42Å; K64-D86 VanDerWaalsContact CG-OD1 3.23Å; K64-D86 WeakPolarHBondContact CG-OD1 3.4Å; K64-D86 IonicContact NZ-OD1 2.59Å; K64-D86 IonicContact NZ-OD2 3.22Å; K64-D86 PolarHBondContact NZ-OD2 2.89Å; K64-D87 VanDerWaalsContact O-CB 3.29Å; K64-D87 WeakPolarHBondContact O-CB 3.21Å; K64-D87 PolarHBondContact O-N 3.24Å; K64-V88 HydrophobicContact CD-CB 4.43Å; K64-V88 HydrophobicContact CD-CG2 4.33Å; K64-V88 HydrophobicContact CG-CB 4.11Å; K64-V88 HydrophobicContact CG-CG2 3.79Å |
| 65 | Y | 90.1 | Very high | 89.6 | Confident | 72 Ų | 72 | 39.5 Ų | 39.5 | 28% | 0.282 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 136.7 | -170 | -59.8 | -65.4 | 0 | 0 | 0 | 113 | L60 C63 I84 W85 D86 V93 F126 | L60-Y65 PolarHBondContact N-O 3.29Å; C63-Y65 VanDerWaalsContact C-N 3.26Å; C63-Y65 PolarHBondContact O-N 3.2Å; Y65-I84 HydrophobicContact CD1-CG2 4.3Å; Y65-W85 VanDerWaalsContact CA-O 3.32Å; Y65-W85 WeakPolarHBondContact CA-O 3.44Å; Y65-D86 HydrophobicContact CD1-CB 4.37Å; Y65-D86 HydrophobicContact CE1-CB 4.19Å; Y65-V93 HydrophobicContact CD1-CG2 4.1Å; Y65-V93 HydrophobicContact CE1-CG2 3.92Å; Y65-F126 HydrophobicContact CD1-CE1 4.37Å; Y65-F126 HydrophobicContact CD1-CZ 4.31Å; Y65-F126 AromaticContact CD2-CE1 3.66Å; Y65-F126 HydrophobicContact CD2-CE1 3.66Å; Y65-F126 AromaticContact CD2-CZ 3.62Å; Y65-F126 HydrophobicContact CD2-CZ 3.62Å; Y65-F126 AromaticContact CE2-CE1 3.86Å; Y65-F126 HydrophobicContact CE2-CE1 3.86Å; Y65-F126 HydrophobicContact CE2-CZ 4.31Å; Y65-F126 AromaticContact CG-CE1 3.94Å; Y65-F126 HydrophobicContact CG-CE1 3.94Å; Y65-F126 AromaticContact CG-CZ 3.63Å; Y65-F126 HydrophobicContact CG-CZ 3.63Å |
| 66 | L | 93.7 | Very high | 89.6 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 147.1 | 172.1 | -55.7 | 174.1 | 0 | 0 | 0 | 108.6 | F33 I35 E58 M59 L68 I84 W85 D87 | F33-L66 HydrophobicContact CD2-CD1 4.32Å; F33-L66 HydrophobicContact CE2-CD1 3.54Å; F33-L66 HydrophobicContact CZ-CD1 3.79Å; I35-L66 HydrophobicContact CD1-CD1 3.87Å; I35-L66 HydrophobicContact CD1-CD2 4.04Å; E58-L66 WeakPolarHBondContact O-CA 3.42Å; M59-L66 HydrophobicContact CB-CD2 4.18Å; M59-L66 HydrophobicContact CG-CD2 3.84Å; L66-L68 HydrophobicContact CB-CD2 4.23Å; L66-I84 WeakPolarHBondContact O-CA 3.37Å; L66-W85 HydrophobicContact CB-CB 4.37Å; L66-W85 PolarHBondContact N-O 2.93Å; L66-W85 PolarHBondContact O-N 3.31Å; L66-D87 HydrophobicContact CD1-CB 4.37Å |
| 67 | A | 95.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 126 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | V57 E58 V82 M83 I84 V106 L108 | V57-A67 WeakPolarHBondContact CA-O 3.32Å; E58-A67 HydrophobicContact CB-CB 4.31Å; E58-A67 PolarHBondContact N-O 3.2Å; E58-A67 PolarHBondContact O-N 2.95Å; A67-V82 HydrophobicContact CB-CG1 4.21Å; A67-M83 WeakPolarHBondContact CA-O 3.4Å; A67-I84 HydrophobicContact CB-CD1 3.89Å; A67-V106 HydrophobicContact CB-CB 4.24Å; A67-V106 HydrophobicContact CB-CG1 3.62Å; A67-L108 HydrophobicContact CB-CD1 3.82Å; A67-L108 HydrophobicContact CB-CD2 4.03Å; A67-L108 HydrophobicContact CB-CG 4.01Å |
| 68 | L | 96.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 141.1 | -179.7 | -51 | -179.1 | 0 | 0 | 0 | 109.2 | F33 F49 I54 Y56 V57 L66 Y77 M83 W85 | F33-L68 HydrophobicContact CD1-CD1 4.3Å; F33-L68 HydrophobicContact CD1-CD2 4.12Å; F33-L68 HydrophobicContact CE1-CD1 3.97Å; F33-L68 HydrophobicContact CE1-CD2 4.26Å; F49-L68 HydrophobicContact CZ-CD1 4.25Å; I54-L68 HydrophobicContact CG2-CB 4.3Å; I54-L68 HydrophobicContact CG2-CD2 4.21Å; Y56-L68 WeakPolarHBondContact O-CA 3.45Å; V57-L68 HydrophobicContact CB-CD2 4.42Å; V57-L68 HydrophobicContact CG1-CD2 3.94Å; V57-L68 HydrophobicContact CG2-CD2 4.18Å; L66-L68 HydrophobicContact CB-CD2 4.23Å; L68-Y77 HydrophobicContact CB-CD2 4.5Å; L68-Y77 HydrophobicContact CD1-CE2 4.21Å; L68-M83 HydrophobicContact CB-CB 4.37Å; L68-M83 PolarHBondContact N-O 2.66Å; L68-M83 PolarHBondContact O-N 2.95Å; L68-W85 HydrophobicContact CD1-CB 3.7Å; L68-W85 HydrophobicContact CD1-CD2 4.02Å; L68-W85 HydrophobicContact CD1-CE3 4.11Å; L68-W85 HydrophobicContact CD1-CG 3.86Å; L68-W85 HydrophobicContact CG-CB 3.98Å |
| 69 | V | 96.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.6 | 168.2 | -179.6 | 0 | 0 | 0 | 0 | 106.8 | G55 Y56 V82 V103 V106 | G55-V69 PolarHBondContact N-O 3.48Å; Y56-V69 HydrophobicContact CD2-CB 4.05Å; Y56-V69 HydrophobicContact CD2-CG1 4.27Å; Y56-V69 HydrophobicContact CD2-CG2 4.48Å; Y56-V69 HydrophobicContact CG-CB 4.49Å; Y56-V69 PolarHBondContact N-O 2.92Å; Y56-V69 VanDerWaalsContact N-O 3.16Å; Y56-V69 PolarHBondContact O-N 2.91Å; Y56-V69 VanDerWaalsContact O-N 3.08Å; V69-V82 HydrophobicContact CG2-CG2 4.12Å; V69-V103 HydrophobicContact CG1-CB 3.93Å; V69-V103 HydrophobicContact CG1-CG2 4.41Å; V69-V103 HydrophobicContact CG2-CB 4.15Å; V69-V103 HydrophobicContact CG2-CG1 3.91Å; V69-V106 HydrophobicContact CG2-CG2 3.68Å |
| 70 | G | 94 | Very high | 89.6 | Confident | 4 Ų | 4 | 50 Ų | 50 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 147.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y77 | G70-Y77 WeakPolarHBondContact CA-O 3.08Å |
| 71 | G | 90.9 | Very high | 90 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 9% | 0.093 | 26% | 0.261 | C | S | . | . | trans | -168.8 | 178.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | L14 G53 P75 | L14-G71 WeakPolarHBondContact CD1-O 3.39Å; G53-G71 CarbonylContact C-O 3.56Å; G53-G71 WeakPolarHBondContact CA-O 3.48Å; G53-G71 PolarHBondContact O-N 3.37Å; G71-P75 VanDerWaalsContact N-CB 3.34Å; G71-P75 WeakPolarHBondContact O-CA 3.38Å | ||
| 72 | G | 88.3 | Confident | 90.8 | Very high | 35 Ų | 35 | 49.5 Ų | 49.5 | 36% | 0.361 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 93.4 | -160.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q30 | Q30-G72 VanDerWaalsContact OE1-CA 3.26Š|
| 73 | Q | 86.8 | Confident | 91.7 | Very high | 155 Ų | 155 | 43.8 Ų | 43.8 | 72% | 0.724 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -76.9 | -37.3 | -178.4 | -67.2 | -176.2 | -5.5 | 0 | 0 | 112 | Q30 | Q30-Q73 VanDerWaalsContact OE1-N 3.12Š|
| 74 | H | 90.2 | Very high | 92.8 | Very high | 135 Ų | 135 | 41.1 Ų | 41.1 | 63% | 0.625 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -128.3 | 87.2 | 178.2 | -54.2 | 107.1 | 0 | 0 | 0 | 107.2 | G52 G53 | G52-H74 CarbonylContact C-O 3.57Å; G52-H74 WeakPolarHBondContact CA-O 3.45Å; G53-H74 PolarHBondContact N-O 3.49Å |
| 75 | P | 93.1 | Very high | 93.3 | Very high | 53 Ų | 53 | 38 Ų | 38 | 34% | 0.344 | 20% | 0.199 | S | C | . | . | B | Isolated β-bridge | trans | -73.8 | 137.8 | -174.4 | 33.3 | -37.6 | 0 | 0 | 0 | 110.6 | G71 Y77 P79 | G71-P75 VanDerWaalsContact N-CB 3.34Å; G71-P75 WeakPolarHBondContact O-CA 3.38Å; P75-Y77 VanDerWaalsContact C-N 3.34Å; P75-Y77 WeakPolarHBondContact CB-O 3.46Å; P75-P79 HydrophobicContact CG-CG 4.48Å |
| 76 | K | 93.5 | Very high | 93.4 | Very high | 69 Ų | 69 | 34.6 Ų | 34.6 | 30% | 0.3 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -67.9 | -37.3 | 179.8 | 179.3 | 59.2 | 179.9 | -175.2 | 0 | 112.7 | F49 D51 G53 I54 | F49-K76 HydrophobicContact CB-CD 3.95Å; F49-K76 HydrophobicContact CB-CG 4.21Å; F49-K76 HydrophobicContact CD1-CD 4.12Å; F49-K76 HydrophobicContact CD1-CG 3.91Å; F49-K76 HydrophobicContact CD2-CB 4.49Å; F49-K76 HydrophobicContact CD2-CG 4.17Å; F49-K76 HydrophobicContact CE1-CG 4.29Å; F49-K76 HydrophobicContact CG-CD 4.07Å; F49-K76 HydrophobicContact CG-CG 3.84Å; D51-K76 WeakPolarHBondContact OD1-CD 3.44Å; D51-K76 IonicContact OD1-NZ 3.84Å; D51-K76 PolarHBondContact OD1-NZ 3.41Å; D51-K76 IonicContact OD2-NZ 3.53Å; D51-K76 PolarHBondContact OD2-NZ 2.72Å; G53-K76 PolarHBondContact O-N 3.43Å; I54-K76 HydrophobicContact CD1-CB 4Å |
| 77 | Y | 93.3 | Very high | 93 | Very high | 31 Ų | 31 | 35.5 Ų | 35.5 | 12% | 0.122 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -116.3 | 162.8 | 178 | -66.2 | -60 | 0 | 0 | 0 | 108.5 | F49 I54 L68 G70 P75 E81 M83 W85 | F49-Y77 HydrophobicContact CE1-CE2 4.49Å; F49-Y77 HydrophobicContact CZ-CE2 4.25Å; I54-Y77 HydrophobicContact CD1-CD2 3.81Å; I54-Y77 HydrophobicContact CD1-CE2 4.1Å; L68-Y77 HydrophobicContact CB-CD2 4.5Å; L68-Y77 HydrophobicContact CD1-CE2 4.21Å; G70-Y77 WeakPolarHBondContact CA-O 3.08Å; P75-Y77 VanDerWaalsContact C-N 3.34Å; P75-Y77 WeakPolarHBondContact CB-O 3.46Å; Y77-E81 WeakPolarHBondContact CA-OE1 3.46Å; Y77-E81 WeakPolarHBondContact CB-OE1 3.14Å; Y77-E81 WeakPolarHBondContact CD1-OE1 3.18Å; Y77-M83 HydrophobicContact CD1-CB 4.48Å; Y77-M83 HydrophobicContact CD1-CE 4.02Å; Y77-M83 HydrophobicContact CD1-CG 4.47Å; Y77-M83 HydrophobicContact CD2-CB 4.21Å; Y77-M83 HydrophobicContact CE1-CE 3.9Å; Y77-M83 HydrophobicContact CE1-CG 4.05Å; Y77-M83 HydrophobicContact CE2-CB 4.24Å; Y77-M83 HydrophobicContact CE2-CG 4.11Å; Y77-M83 HydrophobicContact CG-CB 4.35Å; Y77-W85 VanDerWaalsContact OH-CZ3 3.31Å; Y77-W85 WeakPolarHBondContact OH-CZ3 3.39Å |
| 78 | S | 93.9 | Very high | 92.6 | Very high | 46 Ų | 46 | 40.8 Ų | 40.8 | 32% | 0.322 | 22% | 0.222 | S | C | . | . | trans | -60.3 | 140.8 | 170.2 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | E80 E81 | S78-E80 PolarHBondContact O-N 2.76Å; S78-E80 PolarHBondContact OG-N 3.22Å; S78-E80 VanDerWaalsContact OG-N 3.14Å; S78-E81 PolarHBondContact N-OE1 3.35Å; S78-E81 WeakPolarHBondContact O-CG 3.47Å; S78-E81 PolarHBondContact O-N 2.97Å | ||
| 79 | P | 93.5 | Very high | 92.2 | Very high | 43 Ų | 43 | 48.6 Ų | 48.6 | 28% | 0.279 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -18.2 | 165.8 | -22.7 | 34.8 | 0 | 0 | 0 | 113.1 | P75 V103 | P75-P79 HydrophobicContact CG-CG 4.48Å; P79-V103 WeakPolarHBondContact O-CG2 3.4Å; P79-V103 PolarHBondContact O-N 2.88Å |
| 80 | E | 95.1 | Very high | 91.9 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 18.8 | 177.4 | -53.7 | -176.5 | 164.6 | 0 | 0 | 112.4 | S78 F99 | S78-E80 PolarHBondContact O-N 2.76Å; S78-E80 PolarHBondContact OG-N 3.22Å; S78-E80 VanDerWaalsContact OG-N 3.14Å; E80-F99 WeakPolarHBondContact O-CE2 3.49Å |
| 81 | E | 95 | Very high | 91.8 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 19% | 0.187 | 28% | 0.277 | C | S | . | . | trans | -134.1 | 145.9 | 171.7 | 78.7 | -167.8 | 165.6 | 0 | 0 | 112.1 | Y77 S78 I96 H97 | Y77-E81 WeakPolarHBondContact CA-OE1 3.46Å; Y77-E81 WeakPolarHBondContact CB-OE1 3.14Å; Y77-E81 WeakPolarHBondContact CD1-OE1 3.18Å; S78-E81 PolarHBondContact N-OE1 3.35Å; S78-E81 WeakPolarHBondContact O-CG 3.47Å; S78-E81 PolarHBondContact O-N 2.97Å; E81-I96 CarbonylContact C-O 3.28Å; E81-I96 WeakPolarHBondContact CA-O 3.1Å; E81-H97 HydrophobicContact CB-CB 4.24Å | ||
| 82 | V | 97.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 120.6 | 168.8 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | A67 V69 I84 E95 I96 F99 V103 V106 V115 | A67-V82 HydrophobicContact CB-CG1 4.21Å; V69-V82 HydrophobicContact CG2-CG2 4.12Å; V82-I84 HydrophobicContact CG1-CD1 4.15Å; V82-E95 CarbonylContact O-C 3.6Å; V82-E95 WeakPolarHBondContact O-CA 3.24Å; V82-I96 HydrophobicContact CB-CB 4.29Å; V82-I96 PolarHBondContact N-O 3.47Å; V82-I96 PolarHBondContact O-N 2.99Å; V82-F99 HydrophobicContact CG2-CZ 4.06Å; V82-V103 HydrophobicContact CG2-CG1 4.06Å; V82-V103 HydrophobicContact CG2-CG2 3.8Å; V82-V106 HydrophobicContact CB-CG2 4.49Å; V82-V106 HydrophobicContact CG1-CG1 4.09Å; V82-V106 HydrophobicContact CG1-CG2 3.98Å; V82-V106 HydrophobicContact CG2-CG2 3.64Å; V82-V115 HydrophobicContact CG2-CG1 3.98Å; V82-V115 HydrophobicContact CG2-CG2 3.91Å |
| 83 | M | 95 | Very high | 91.9 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 4% | 0.044 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 119.2 | 177 | -170.4 | 58.1 | 64.7 | 0 | 0 | 110.5 | A67 L68 Y77 P92 E95 | A67-M83 WeakPolarHBondContact CA-O 3.4Å; L68-M83 HydrophobicContact CB-CB 4.37Å; L68-M83 PolarHBondContact N-O 2.66Å; L68-M83 PolarHBondContact O-N 2.95Å; Y77-M83 HydrophobicContact CD1-CB 4.48Å; Y77-M83 HydrophobicContact CD1-CE 4.02Å; Y77-M83 HydrophobicContact CD1-CG 4.47Å; Y77-M83 HydrophobicContact CD2-CB 4.21Å; Y77-M83 HydrophobicContact CE1-CE 3.9Å; Y77-M83 HydrophobicContact CE1-CG 4.05Å; Y77-M83 HydrophobicContact CE2-CB 4.24Å; Y77-M83 HydrophobicContact CE2-CG 4.11Å; Y77-M83 HydrophobicContact CG-CB 4.35Å; M83-P92 HydrophobicContact CE-CB 4.41Å; M83-P92 HydrophobicContact CG-CB 3.84Å; M83-P92 HydrophobicContact SD-CB 3.25Å; M83-P92 WeakPolarHBondContact SD-CB 3.33Å; M83-P92 HydrophobicContact SD-CG 4.44Å; M83-E95 HydrophobicContact CE-CB 3.84Å; M83-E95 HydrophobicContact SD-CB 4.15Å |
| 84 | I | 95 | Very high | 92.2 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 117.7 | 170.9 | -53.2 | -56.1 | 0 | 0 | 0 | 108.3 | Y65 L66 A67 V82 V93 A94 L108 I113 F126 | Y65-I84 HydrophobicContact CD1-CG2 4.3Å; L66-I84 WeakPolarHBondContact O-CA 3.37Å; A67-I84 HydrophobicContact CB-CD1 3.89Å; V82-I84 HydrophobicContact CG1-CD1 4.15Å; I84-V93 HydrophobicContact CB-CG2 4.14Å; I84-V93 HydrophobicContact CG2-CG2 3.73Å; I84-V93 VanDerWaalsContact O-CG2 3.28Å; I84-V93 WeakPolarHBondContact O-CG2 3.19Å; I84-V93 PolarHBondContact O-N 3.29Å; I84-A94 HydrophobicContact CB-CB 4.12Å; I84-A94 HydrophobicContact CG1-CB 4.24Å; I84-A94 PolarHBondContact N-O 3.34Å; I84-A94 PolarHBondContact O-N 2.86Å; I84-L108 HydrophobicContact CD1-CD2 4.3Å; I84-I113 HydrophobicContact CD1-CD1 3.82Å; I84-I113 HydrophobicContact CD1-CG1 4.27Å; I84-I113 HydrophobicContact CD1-CG2 4.3Å; I84-I113 HydrophobicContact CG1-CD1 3.81Å; I84-F126 HydrophobicContact CG2-CE1 4.4Å; I84-F126 HydrophobicContact CG2-CZ 3.86Å |
| 85 | W | 92.8 | Very high | 92.4 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 4% | 0.038 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 136.2 | -173.9 | -175.7 | -90.4 | 0 | 0 | 0 | 111.2 | F47 F49 Y65 L66 L68 Y77 K90 P92 | F47-W85 HydrophobicContact CD1-CZ2 4.32Å; F47-W85 AromaticContact CE1-CH2 3.94Å; F47-W85 HydrophobicContact CE1-CH2 3.94Å; F47-W85 AromaticContact CE1-CZ2 3.78Å; F47-W85 HydrophobicContact CE1-CZ2 3.78Å; F47-W85 HydrophobicContact CE2-CZ2 4.03Å; F47-W85 AromaticContact CZ-CH2 3.91Å; F47-W85 HydrophobicContact CZ-CH2 3.91Å; F47-W85 AromaticContact CZ-CZ2 3.6Å; F47-W85 HydrophobicContact CZ-CZ2 3.6Å; F49-W85 AromaticContact CE1-CH2 3.83Å; F49-W85 HydrophobicContact CE1-CH2 3.83Å; F49-W85 AromaticContact CE1-CZ3 3.93Å; F49-W85 HydrophobicContact CE1-CZ3 3.93Å; F49-W85 HydrophobicContact CZ-CH2 4.28Å; F49-W85 HydrophobicContact CZ-CZ3 4.27Å; Y65-W85 VanDerWaalsContact CA-O 3.32Å; Y65-W85 WeakPolarHBondContact CA-O 3.44Å; L66-W85 HydrophobicContact CB-CB 4.37Å; L66-W85 PolarHBondContact N-O 2.93Å; L66-W85 PolarHBondContact O-N 3.31Å; L68-W85 HydrophobicContact CD1-CB 3.7Å; L68-W85 HydrophobicContact CD1-CD2 4.02Å; L68-W85 HydrophobicContact CD1-CE3 4.11Å; L68-W85 HydrophobicContact CD1-CG 3.86Å; L68-W85 HydrophobicContact CG-CB 3.98Å; Y77-W85 VanDerWaalsContact OH-CZ3 3.31Å; Y77-W85 WeakPolarHBondContact OH-CZ3 3.39Å; W85-K90 VanDerWaalsContact CH2-O 3.32Å; W85-K90 WeakPolarHBondContact CH2-O 3.24Å; W85-K90 HydrophobicContact CZ2-CB 4.12Å; W85-K90 WeakPolarHBondContact CZ2-O 3.45Å; W85-P92 HydrophobicContact CE3-CB 4.33Å; W85-P92 HydrophobicContact CZ3-CG 4.49Å |
| 86 | D | 91.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 109.4 | 172.6 | -176.7 | -31.8 | 0 | 0 | 0 | 109.9 | K64 Y65 V88 R89 K90 V91 V93 | K64-D86 VanDerWaalsContact CE-CG 3.44Å; K64-D86 WeakPolarHBondContact CE-OD1 3.24Å; K64-D86 WeakPolarHBondContact CE-OD2 3.42Å; K64-D86 VanDerWaalsContact CG-OD1 3.23Å; K64-D86 WeakPolarHBondContact CG-OD1 3.4Å; K64-D86 IonicContact NZ-OD1 2.59Å; K64-D86 IonicContact NZ-OD2 3.22Å; K64-D86 PolarHBondContact NZ-OD2 2.89Å; Y65-D86 HydrophobicContact CD1-CB 4.37Å; Y65-D86 HydrophobicContact CE1-CB 4.19Å; D86-V88 VanDerWaalsContact C-N 3.28Å; D86-V88 PolarHBondContact O-N 3.22Å; D86-V88 PolarHBondContact OD1-N 3.42Å; D86-R89 HydrophobicContact CB-CB 4.22Å; D86-R89 PolarHBondContact O-N 2.71Å; D86-R89 PolarHBondContact OD1-N 3.49Å; D86-R89 WeakPolarHBondContact OD2-CD 3.42Å; D86-K90 WeakPolarHBondContact O-CA 3.45Å; D86-K90 PolarHBondContact O-N 3.48Å; D86-V91 PolarHBondContact N-O 2.95Å; D86-V91 PolarHBondContact O-N 2.91Å; D86-V93 HydrophobicContact CB-CG1 3.6Å |
| 87 | D | 85.8 | Confident | 92.7 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -18.1 | -177 | -165.9 | 41.7 | 0 | 0 | 0 | 113.6 | K64 L66 K90 | K64-D87 VanDerWaalsContact O-CB 3.29Å; K64-D87 WeakPolarHBondContact O-CB 3.21Å; K64-D87 PolarHBondContact O-N 3.24Å; L66-D87 HydrophobicContact CD1-CB 4.37Å; D87-K90 VanDerWaalsContact O-CD 3.25Å; D87-K90 WeakPolarHBondContact O-CD 3.48Å; D87-K90 WeakPolarHBondContact O-CE 3.08Å; D87-K90 PolarHBondContact O-NZ 3.1Å; D87-K90 IonicContact OD1-NZ 3.43Å; D87-K90 PolarHBondContact OD1-NZ 3.31Å |
| 88 | V | 87.4 | Confident | 92.6 | Very high | 110 Ų | 110 | 50 Ų | 50 | 67% | 0.667 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -42 | 175 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | K64 D86 | K64-V88 HydrophobicContact CD-CB 4.43Å; K64-V88 HydrophobicContact CD-CG2 4.33Å; K64-V88 HydrophobicContact CG-CB 4.11Å; K64-V88 HydrophobicContact CG-CG2 3.79Å; D86-V88 VanDerWaalsContact C-N 3.28Å; D86-V88 PolarHBondContact O-N 3.22Å; D86-V88 PolarHBondContact OD1-N 3.42Å |
| 89 | R | 88.4 | Confident | 92.5 | Very high | 165 Ų | 165 | 48 Ų | 48 | 62% | 0.623 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -14 | 179.7 | -65.9 | 178.2 | 62.2 | -175 | -2 | 113.2 | D86 V91 | D86-R89 HydrophobicContact CB-CB 4.22Å; D86-R89 PolarHBondContact O-N 2.71Å; D86-R89 PolarHBondContact OD1-N 3.49Å; D86-R89 WeakPolarHBondContact OD2-CD 3.42Å; R89-V91 VanDerWaalsContact C-N 3.31Å; R89-V91 HydrophobicContact CB-CG2 3.68Å; R89-V91 PolarHBondContact O-N 2.76Å |
| 90 | K | 89.3 | Confident | 92.3 | Very high | 64 Ų | 64 | 53.4 Ų | 53.4 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 44.7 | -174.5 | -55.5 | -57.8 | -170.1 | -157.4 | 0 | 112.8 | E45 F47 W85 D86 D87 | E45-K90 IonicContact OE1-NZ 3.57Å; E45-K90 PolarHBondContact OE1-NZ 2.81Å; E45-K90 IonicContact OE2-NZ 2.66Å; E45-K90 PolarHBondContact OE2-NZ 2.77Å; F47-K90 HydrophobicContact CD2-CD 3.97Å; F47-K90 HydrophobicContact CE2-CB 3.95Å; F47-K90 HydrophobicContact CE2-CD 4.02Å; F47-K90 HydrophobicContact CE2-CG 4.16Å; W85-K90 VanDerWaalsContact CH2-O 3.32Å; W85-K90 WeakPolarHBondContact CH2-O 3.24Å; W85-K90 HydrophobicContact CZ2-CB 4.12Å; W85-K90 WeakPolarHBondContact CZ2-O 3.45Å; D86-K90 WeakPolarHBondContact O-CA 3.45Å; D86-K90 PolarHBondContact O-N 3.48Å; D87-K90 VanDerWaalsContact O-CD 3.25Å; D87-K90 WeakPolarHBondContact O-CD 3.48Å; D87-K90 WeakPolarHBondContact O-CE 3.08Å; D87-K90 PolarHBondContact O-NZ 3.1Å; D87-K90 IonicContact OD1-NZ 3.43Å; D87-K90 PolarHBondContact OD1-NZ 3.31Å |
| 91 | V | 91.5 | Very high | 92.2 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 152.5 | 179.8 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | D86 R89 V93 | D86-V91 PolarHBondContact N-O 2.95Å; D86-V91 PolarHBondContact O-N 2.91Å; R89-V91 VanDerWaalsContact C-N 3.31Å; R89-V91 HydrophobicContact CB-CG2 3.68Å; R89-V91 PolarHBondContact O-N 2.76Å; V91-V93 HydrophobicContact CG2-CG1 4.43Å |
| 92 | P | 91.4 | Very high | 92.2 | Very high | 65 Ų | 65 | 55.3 Ų | 55.3 | 42% | 0.422 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 139.4 | 166.9 | 29.7 | -33.1 | 0 | 0 | 0 | 110.1 | M83 W85 | M83-P92 HydrophobicContact CE-CB 4.41Å; M83-P92 HydrophobicContact CG-CB 3.84Å; M83-P92 HydrophobicContact SD-CB 3.25Å; M83-P92 WeakPolarHBondContact SD-CB 3.33Å; M83-P92 HydrophobicContact SD-CG 4.44Å; W85-P92 HydrophobicContact CE3-CB 4.33Å; W85-P92 HydrophobicContact CZ3-CG 4.49Å |
| 93 | V | 91.8 | Very high | 92.2 | Very high | 36 Ų | 36 | 55.6 Ų | 55.6 | 22% | 0.218 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | -22.1 | -179.5 | -67.5 | 0 | 0 | 0 | 0 | 113.9 | Y65 I84 D86 V91 N128 | Y65-V93 HydrophobicContact CD1-CG2 4.1Å; Y65-V93 HydrophobicContact CE1-CG2 3.92Å; I84-V93 HydrophobicContact CB-CG2 4.14Å; I84-V93 HydrophobicContact CG2-CG2 3.73Å; I84-V93 VanDerWaalsContact O-CG2 3.28Å; I84-V93 WeakPolarHBondContact O-CG2 3.19Å; I84-V93 PolarHBondContact O-N 3.29Å; D86-V93 HydrophobicContact CB-CG1 3.6Å; V91-V93 HydrophobicContact CG2-CG1 4.43Å; V93-N128 PolarHBondContact O-ND2 2.91Å |
| 94 | A | 92.9 | Very high | 92.2 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 12% | 0.124 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 152 | 175 | 0 | 0 | 0 | 0 | 0 | 109.9 | I84 P130 | I84-A94 HydrophobicContact CB-CB 4.12Å; I84-A94 HydrophobicContact CG1-CB 4.24Å; I84-A94 PolarHBondContact N-O 3.34Å; I84-A94 PolarHBondContact O-N 2.86Å; A94-P130 HydrophobicContact CB-CG 3.76Å |
| 95 | E | 94.5 | Very high | 92.2 | Very high | 104 Ų | 104 | 56.1 Ų | 56.1 | 49% | 0.486 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 149.7 | 177.9 | 63 | -172.5 | -159.5 | 0 | 0 | 110.1 | V82 M83 H97 | V82-E95 CarbonylContact O-C 3.6Å; V82-E95 WeakPolarHBondContact O-CA 3.24Å; M83-E95 HydrophobicContact CE-CB 3.84Å; M83-E95 HydrophobicContact SD-CB 4.15Å; E95-H97 IonicContact OE1-CE1 3.19Å; E95-H97 IonicContact OE1-ND1 2.65Å |
| 96 | I | 97.1 | Very high | 92.4 | Very high | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 119 | 174.8 | -49.9 | 177.6 | 0 | 0 | 0 | 107.5 | E81 V82 D98 F99 I113 V115 Y124 P130 | E81-I96 CarbonylContact C-O 3.28Å; E81-I96 WeakPolarHBondContact CA-O 3.1Å; V82-I96 HydrophobicContact CB-CB 4.29Å; V82-I96 PolarHBondContact N-O 3.47Å; V82-I96 PolarHBondContact O-N 2.99Å; I96-D98 VanDerWaalsContact CG2-OD1 3.23Å; I96-D98 WeakPolarHBondContact CG2-OD1 3.39Å; I96-F99 HydrophobicContact CB-CE1 4.39Å; I96-F99 HydrophobicContact CG2-CD1 4.47Å; I96-F99 HydrophobicContact CG2-CE1 3.78Å; I96-F99 WeakPolarHBondContact O-CZ 3.15Å; I96-I113 HydrophobicContact CD1-CB 4.36Å; I96-I113 HydrophobicContact CD1-CD1 4.1Å; I96-I113 HydrophobicContact CD1-CG2 3.86Å; I96-V115 HydrophobicContact CD1-CG2 4.38Å; I96-Y124 HydrophobicContact CD1-CD1 4.23Å; I96-Y124 HydrophobicContact CD1-CD2 4.11Å; I96-Y124 HydrophobicContact CD1-CG 3.93Å; I96-Y124 HydrophobicContact CG2-CD1 4.07Å; I96-Y124 HydrophobicContact CG2-CE1 3.57Å; I96-Y124 HydrophobicContact CG2-CE2 4.09Å; I96-P130 HydrophobicContact CD1-CB 3.96Å; I96-P130 HydrophobicContact CD1-CG 4.26Å; I96-P130 HydrophobicContact CG1-CB 3.91Å; I96-P130 HydrophobicContact CG1-CG 3.9Å |
| 97 | H | 94.3 | Very high | 92.5 | Very high | 110 Ų | 110 | 57.3 Ų | 57.3 | 51% | 0.509 | 29% | 0.294 | S | S | . | . | trans | -141.8 | 20.1 | -174.9 | 57.6 | -100.5 | 0 | 0 | 0 | 112.3 | E81 E95 F99 | E81-H97 HydrophobicContact CB-CB 4.24Å; E95-H97 IonicContact OE1-CE1 3.19Å; E95-H97 IonicContact OE1-ND1 2.65Å; H97-F99 PolarHBondContact O-N 3.3Å; H97-F99 VanDerWaalsContact O-N 3.08Å | ||
| 98 | D | 91.8 | Very high | 92.9 | Very high | 71 Ų | 71 | 56.5 Ų | 56.5 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | trans | -81.3 | 28.3 | -177.9 | 69.2 | -43.4 | 0 | 0 | 0 | 113.3 | I96 R122 Y124 | I96-D98 VanDerWaalsContact CG2-OD1 3.23Å; I96-D98 WeakPolarHBondContact CG2-OD1 3.39Å; D98-R122 PolarHBondContact O-NH1 3.34Å; D98-R122 IonicContact OD1-NH1 2.93Å; D98-R122 IonicContact OD2-NH1 3.36Å; D98-R122 PolarHBondContact OD2-NH1 2.97Å; D98-Y124 WeakPolarHBondContact OD1-CE1 3.45Å; D98-Y124 VanDerWaalsContact OD1-CZ 3.3Å; D98-Y124 PolarHBondContact OD1-OH 2.94Å; D98-Y124 PolarHBondContact OD2-OH 3.45Å | ||
| 99 | F | 90.9 | Very high | 93 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | trans | -138.1 | 147.5 | 179.7 | 45.4 | -97.3 | 0 | 0 | 0 | 110.8 | E80 V82 I96 H97 E101 V103 V115 L117 | E80-F99 WeakPolarHBondContact O-CE2 3.49Å; V82-F99 HydrophobicContact CG2-CZ 4.06Å; I96-F99 HydrophobicContact CB-CE1 4.39Å; I96-F99 HydrophobicContact CG2-CD1 4.47Å; I96-F99 HydrophobicContact CG2-CE1 3.78Å; I96-F99 WeakPolarHBondContact O-CZ 3.15Å; H97-F99 PolarHBondContact O-N 3.3Å; H97-F99 VanDerWaalsContact O-N 3.08Å; F99-E101 WeakPolarHBondContact CD2-O 3.48Å; F99-V103 HydrophobicContact CD2-CG2 4.25Å; F99-V103 HydrophobicContact CE2-CG2 3.22Å; F99-V103 HydrophobicContact CZ-CG2 3.43Å; F99-V103 VanDerWaalsContact CZ-CG2 3.43Å; F99-V115 HydrophobicContact CE1-CG1 4.03Å; F99-V115 HydrophobicContact CZ-CG1 4.24Å; F99-L117 HydrophobicContact CB-CD1 3.68Å; F99-L117 HydrophobicContact CB-CD2 4.48Å; F99-L117 HydrophobicContact CD2-CD2 3.93Å; F99-L117 HydrophobicContact CE2-CD2 4.29Å; F99-L117 HydrophobicContact CG-CD1 4.06Å; F99-L117 HydrophobicContact CG-CD2 4.07Å | ||
| 100 | N | 90 | Very high | 92.9 | Very high | 155 Ų | 155 | 51.3 Ų | 51.3 | 83% | 0.829 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -110.4 | 38.3 | -174.5 | -58.6 | -1.9 | 0 | 0 | 0 | 111.1 | ||
| 101 | E | 93.3 | Very high | 92.9 | Very high | 61 Ų | 61 | 51.1 Ų | 51.1 | 29% | 0.285 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -152.3 | 153.8 | 179.4 | 61.8 | -180 | 154.5 | 0 | 0 | 110.7 | F99 V103 L117 A118 | F99-E101 WeakPolarHBondContact CD2-O 3.48Å; E101-V103 PolarHBondContact O-N 3.49Å; E101-L117 HydrophobicContact CG-CB 3.97Å; E101-L117 HydrophobicContact CG-CD1 3.97Å; E101-L117 HydrophobicContact CG-CD2 4.14Å; E101-L117 HydrophobicContact CG-CG 4.24Å; E101-L117 WeakPolarHBondContact OE1-CB 3.36Å; E101-L117 WeakPolarHBondContact OE1-CD1 3.34Å; E101-A118 WeakPolarHBondContact OE2-CB 3.37Å |
| 102 | D | 94.2 | Very high | 93 | Very high | 99 Ų | 99 | 51.8 Ų | 51.8 | 53% | 0.529 | 26% | 0.257 | S | S | . | . | trans | -57.7 | 134.5 | 179.1 | -68.3 | -10.8 | 0 | 0 | 0 | 112.4 | C104 | D102-C104 PolarHBondContact O-N 3.24Š| ||
| 103 | V | 96.8 | Very high | 93.2 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | trans | -68.4 | 118.8 | 173 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | Y56 V69 P79 V82 F99 E101 V106 V115 L117 | Y56-V103 WeakPolarHBondContact CE2-O 3.19Å; V69-V103 HydrophobicContact CG1-CB 3.93Å; V69-V103 HydrophobicContact CG1-CG2 4.41Å; V69-V103 HydrophobicContact CG2-CB 4.15Å; V69-V103 HydrophobicContact CG2-CG1 3.91Å; P79-V103 WeakPolarHBondContact O-CG2 3.4Å; P79-V103 PolarHBondContact O-N 2.88Å; V82-V103 HydrophobicContact CG2-CG1 4.06Å; V82-V103 HydrophobicContact CG2-CG2 3.8Å; F99-V103 HydrophobicContact CD2-CG2 4.25Å; F99-V103 HydrophobicContact CE2-CG2 3.22Å; F99-V103 HydrophobicContact CZ-CG2 3.43Å; F99-V103 VanDerWaalsContact CZ-CG2 3.43Å; E101-V103 PolarHBondContact O-N 3.49Å; V103-V106 HydrophobicContact CG1-CG2 3.65Å; V103-V115 HydrophobicContact CG1-CG1 3.94Å; V103-V115 HydrophobicContact CG2-CG1 4.2Å; V103-L117 HydrophobicContact CG2-CD2 4.31Å | ||
| 104 | C | 95.4 | Very high | 93.4 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 10% | 0.095 | 23% | 0.227 | C | C | . | . | trans | -86.5 | -27 | -180 | -67.5 | 0 | 0 | 0 | 0 | 112.9 | Y56 D102 V116 G144 | Y56-C104 WeakPolarHBondContact CE1-O 3.32Å; Y56-C104 PolarHBondContact OH-O 3.4Å; D102-C104 PolarHBondContact O-N 3.24Å; C104-V116 WeakPolarHBondContact CA-O 3.3Å; C104-V116 WeakPolarHBondContact CB-O 3.44Å; C104-V116 PolarHBondContact N-O 2.91Å; C104-G144 WeakPolarHBondContact O-CA 3.41Å | ||
| 105 | S | 95.6 | Very high | 93.7 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169 | 160.9 | 170.1 | -166.6 | 0 | 0 | 0 | 0 | 110.9 | V116 G144 | S105-V116 PolarHBondContact N-O 3.17Å; S105-V116 VanDerWaalsContact N-O 3.12Å; S105-V116 WeakPolarHBondContact O-CA 3.23Å; S105-V116 WeakPolarHBondContact O-CB 3.39Å; S105-V116 PolarHBondContact O-N 2.67Å; S105-G144 VanDerWaalsContact CB-O 3.26Å; S105-G144 WeakPolarHBondContact CB-O 3.44Å |
| 106 | V | 96.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 141.6 | 171.6 | -173.2 | 0 | 0 | 0 | 0 | 109.1 | E58 A67 V69 V82 V103 L108 I113 V114 | E58-V106 WeakPolarHBondContact CB-O 3.5Å; E58-V106 VanDerWaalsContact CG-O 3.3Å; E58-V106 WeakPolarHBondContact CG-O 3.45Å; A67-V106 HydrophobicContact CB-CB 4.24Å; A67-V106 HydrophobicContact CB-CG1 3.62Å; V69-V106 HydrophobicContact CG2-CG2 3.68Å; V82-V106 HydrophobicContact CB-CG2 4.49Å; V82-V106 HydrophobicContact CG1-CG1 4.09Å; V82-V106 HydrophobicContact CG1-CG2 3.98Å; V82-V106 HydrophobicContact CG2-CG2 3.64Å; V103-V106 HydrophobicContact CG1-CG2 3.65Å; V106-L108 HydrophobicContact CG1-CD2 4.42Å; V106-I113 HydrophobicContact CG1-CG2 4.26Å; V106-V114 CarbonylContact C-O 3.49Å; V106-V114 WeakPolarHBondContact CA-O 2.91Å |
| 107 | K | 94.9 | Very high | 93.9 | Very high | 33 Ų | 33 | 41.1 Ų | 41.1 | 14% | 0.143 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 133.3 | 174 | -61 | -67.8 | 160.2 | -151.3 | 0 | 110.6 | E58 V114 L148 | E58-K107 WeakPolarHBondContact OE1-CD 3.36Å; E58-K107 IonicContact OE1-NZ 3.72Å; E58-K107 PolarHBondContact OE1-NZ 2.6Å; E58-K107 IonicContact OE2-NZ 2.68Å; E58-K107 PolarHBondContact OE2-NZ 3.26Å; K107-V114 HydrophobicContact CB-CB 4.15Å; K107-V114 PolarHBondContact N-O 2.96Å; K107-V114 PolarHBondContact O-N 3.29Å; K107-L148 HydrophobicContact CB-CB 3.81Å; K107-L148 HydrophobicContact CB-CD2 3.97Å; K107-L148 HydrophobicContact CG-CB 4.36Å |
| 108 | L | 93.3 | Very high | 93.9 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 139.3 | -177.9 | -65.4 | -176.5 | 0 | 0 | 0 | 112 | Q20 E58 L60 A67 I84 V106 I113 F126 | Q20-L108 PolarHBondContact NE2-O 2.69Å; E58-L108 HydrophobicContact CG-CG 4.33Å; L60-L108 HydrophobicContact CB-CB 4.02Å; L60-L108 HydrophobicContact CB-CD1 4.03Å; L60-L108 HydrophobicContact CD1-CB 4.04Å; L60-L108 HydrophobicContact CG-CB 4.49Å; A67-L108 HydrophobicContact CB-CD1 3.82Å; A67-L108 HydrophobicContact CB-CD2 4.03Å; A67-L108 HydrophobicContact CB-CG 4.01Å; I84-L108 HydrophobicContact CD1-CD2 4.3Å; V106-L108 HydrophobicContact CG1-CD2 4.42Å; L108-I113 HydrophobicContact CD2-CB 4.23Å; L108-I113 HydrophobicContact CD2-CG1 3.91Å; L108-I113 HydrophobicContact CD2-CG2 3.97Å; L108-F126 HydrophobicContact CD2-CE2 4.41Å |
| 109 | R | 90.3 | Very high | 94.1 | Very high | 25 Ų | 25 | 40.8 Ų | 40.8 | 9% | 0.094 | 19% | 0.19 | C | C | . | . | trans | -123.9 | 171.2 | 161.1 | -161.7 | 173.6 | 86.4 | -168.2 | 11.6 | 108.5 | D111 R112 L148 | R109-D111 IonicContact CZ-OD1 3.26Å; R109-D111 IonicContact CZ-OD2 2.71Å; R109-D111 IonicContact NE-OD1 2.74Å; R109-D111 PolarHBondContact NE-OD1 2.93Å; R109-D111 IonicContact NE-OD2 3.12Å; R109-D111 VanDerWaalsContact NH2-CG 3.26Å; R109-D111 IonicContact NH2-OD1 2.69Å; R109-D111 PolarHBondContact NH2-OD1 2.93Å; R109-D111 IonicContact NH2-OD2 3.46Å; R109-D111 PolarHBondContact NH2-OD2 2.86Å; R109-D111 PolarHBondContact O-N 2.7Å; R109-R112 HydrophobicContact CB-CB 4.21Å; R109-R112 PolarHBondContact N-O 2.84Å; R109-L148 HydrophobicContact CB-CD2 3.94Å | ||
| 110 | R | 86.2 | Confident | 94.4 | Very high | 141 Ų | 141 | 41.3 Ų | 41.3 | 53% | 0.532 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -57.7 | -28.6 | -179.8 | -65.7 | -174.1 | -180 | 113.9 | -0.6 | 114.3 | ||
| 111 | D | 88.8 | Confident | 94.8 | Very high | 60 Ų | 60 | 34 Ų | 34 | 32% | 0.321 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -130.7 | 4 | -172.4 | 64.5 | -45.6 | 0 | 0 | 0 | 113.2 | R109 | R109-D111 IonicContact CZ-OD1 3.26Å; R109-D111 IonicContact CZ-OD2 2.71Å; R109-D111 IonicContact NE-OD1 2.74Å; R109-D111 PolarHBondContact NE-OD1 2.93Å; R109-D111 IonicContact NE-OD2 3.12Å; R109-D111 VanDerWaalsContact NH2-CG 3.26Å; R109-D111 IonicContact NH2-OD1 2.69Å; R109-D111 PolarHBondContact NH2-OD1 2.93Å; R109-D111 IonicContact NH2-OD2 3.46Å; R109-D111 PolarHBondContact NH2-OD2 2.86Å; R109-D111 PolarHBondContact O-N 2.7Å |
| 112 | R | 93.1 | Very high | 95 | Very high | 65 Ų | 65 | 33.4 Ų | 33.4 | 25% | 0.245 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 139 | -176.1 | -60.5 | -67.7 | -178.6 | -108.6 | 5.5 | 111.3 | R109 V123 Y124 L133 | R109-R112 HydrophobicContact CB-CB 4.21Å; R109-R112 PolarHBondContact N-O 2.84Å; R112-V123 HydrophobicContact CB-CG1 4.32Å; R112-V123 HydrophobicContact CG-CG1 4.4Å; R112-Y124 WeakPolarHBondContact CA-O 3.44Å; R112-L133 VanDerWaalsContact CZ-CD1 3.49Å |
| 113 | I | 95.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 124.7 | 167.9 | -57.1 | 163.5 | 0 | 0 | 0 | 106.5 | I84 I96 V106 L108 V115 V123 Y124 F126 P130 | I84-I113 HydrophobicContact CD1-CD1 3.82Å; I84-I113 HydrophobicContact CD1-CG1 4.27Å; I84-I113 HydrophobicContact CD1-CG2 4.3Å; I84-I113 HydrophobicContact CG1-CD1 3.81Å; I96-I113 HydrophobicContact CD1-CB 4.36Å; I96-I113 HydrophobicContact CD1-CD1 4.1Å; I96-I113 HydrophobicContact CD1-CG2 3.86Å; V106-I113 HydrophobicContact CG1-CG2 4.26Å; L108-I113 HydrophobicContact CD2-CB 4.23Å; L108-I113 HydrophobicContact CD2-CG1 3.91Å; L108-I113 HydrophobicContact CD2-CG2 3.97Å; I113-V115 HydrophobicContact CG2-CG2 4.26Å; I113-V123 CarbonylContact O-C 3.59Å; I113-V123 WeakPolarHBondContact O-CA 3.49Å; I113-Y124 PolarHBondContact N-O 3.04Å; I113-Y124 PolarHBondContact O-N 3.4Å; I113-F126 HydrophobicContact CD1-CD2 4.05Å; I113-F126 HydrophobicContact CD1-CE2 4.36Å; I113-F126 HydrophobicContact CD1-CG 4.49Å; I113-F126 HydrophobicContact CG1-CD2 3.67Å; I113-F126 HydrophobicContact CG1-CE2 4.05Å; I113-F126 HydrophobicContact CG1-CG 4.47Å; I113-P130 HydrophobicContact CD1-CG 4.5Å |
| 114 | V | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 116.8 | 178.5 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | V106 K107 V121 R122 V123 L148 L157 | V106-V114 CarbonylContact C-O 3.49Å; V106-V114 WeakPolarHBondContact CA-O 2.91Å; K107-V114 HydrophobicContact CB-CB 4.15Å; K107-V114 PolarHBondContact N-O 2.96Å; K107-V114 PolarHBondContact O-N 3.29Å; V114-V121 HydrophobicContact CG1-CG1 3.51Å; V114-R122 CarbonylContact C-O 3.44Å; V114-R122 WeakPolarHBondContact CA-O 3.4Å; V114-V123 HydrophobicContact CG2-CG1 4.29Å; V114-V123 HydrophobicContact CG2-CG2 4.18Å; V114-L148 HydrophobicContact CB-CD2 4.43Å; V114-L148 HydrophobicContact CG2-CD1 4.42Å; V114-L148 HydrophobicContact CG2-CD2 3.73Å; V114-L157 HydrophobicContact CG1-CD1 4.02Å; V114-L157 HydrophobicContact CG1-CD2 4.28Å |
| 115 | V | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.8 | 177.9 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | V82 I96 F99 V103 I113 L117 V121 R122 Y124 | V82-V115 HydrophobicContact CG2-CG1 3.98Å; V82-V115 HydrophobicContact CG2-CG2 3.91Å; I96-V115 HydrophobicContact CD1-CG2 4.38Å; F99-V115 HydrophobicContact CE1-CG1 4.03Å; F99-V115 HydrophobicContact CZ-CG1 4.24Å; V103-V115 HydrophobicContact CG1-CG1 3.94Å; V103-V115 HydrophobicContact CG2-CG1 4.2Å; I113-V115 HydrophobicContact CG2-CG2 4.26Å; V115-L117 HydrophobicContact CG1-CD2 3.88Å; V115-L117 HydrophobicContact CG1-CG 4.42Å; V115-V121 WeakPolarHBondContact O-CA 3.48Å; V115-R122 PolarHBondContact N-O 3.01Å; V115-R122 PolarHBondContact O-N 3.28Å; V115-Y124 HydrophobicContact CB-CE2 4.12Å; V115-Y124 HydrophobicContact CG2-CD2 3.99Å; V115-Y124 HydrophobicContact CG2-CE2 3.78Å |
| 116 | V | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.9 | -179.6 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | C104 S105 V121 N141 C146 | C104-V116 WeakPolarHBondContact CA-O 3.3Å; C104-V116 WeakPolarHBondContact CB-O 3.44Å; C104-V116 PolarHBondContact N-O 2.91Å; S105-V116 PolarHBondContact N-O 3.17Å; S105-V116 VanDerWaalsContact N-O 3.12Å; S105-V116 WeakPolarHBondContact O-CA 3.23Å; S105-V116 WeakPolarHBondContact O-CB 3.39Å; S105-V116 PolarHBondContact O-N 2.67Å; V116-V121 HydrophobicContact CG1-CG2 4.12Å; V116-V121 HydrophobicContact CG2-CG2 4.36Å; V116-N141 WeakPolarHBondContact CG1-ND2 3.49Å; V116-C146 HydrophobicContact CG1-CB 4.43Å; V116-C146 HydrophobicContact CG2-CB 3.45Å; V116-C146 VanDerWaalsContact CG2-CB 3.45Å |
| 117 | L | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -107.8 | -179.9 | 176.5 | -52.8 | 177.6 | 0 | 0 | 0 | 109.8 | F99 E101 V103 V115 R119 S120 | F99-L117 HydrophobicContact CB-CD1 3.68Å; F99-L117 HydrophobicContact CB-CD2 4.48Å; F99-L117 HydrophobicContact CD2-CD2 3.93Å; F99-L117 HydrophobicContact CE2-CD2 4.29Å; F99-L117 HydrophobicContact CG-CD1 4.06Å; F99-L117 HydrophobicContact CG-CD2 4.07Å; E101-L117 HydrophobicContact CG-CB 3.97Å; E101-L117 HydrophobicContact CG-CD1 3.97Å; E101-L117 HydrophobicContact CG-CD2 4.14Å; E101-L117 HydrophobicContact CG-CG 4.24Å; E101-L117 WeakPolarHBondContact OE1-CB 3.36Å; E101-L117 WeakPolarHBondContact OE1-CD1 3.34Å; V103-L117 HydrophobicContact CG2-CD2 4.31Å; V115-L117 HydrophobicContact CG1-CD2 3.88Å; V115-L117 HydrophobicContact CG1-CG 4.42Å; L117-R119 VanDerWaalsContact C-N 3.26Å; L117-R119 PolarHBondContact O-N 2.68Å; L117-S120 WeakPolarHBondContact CA-O 3.35Å; L117-S120 PolarHBondContact N-O 3.18Å | ||
| 118 | A | 95.3 | Very high | 94.1 | Very high | 21 Ų | 21 | 37.7 Ų | 37.7 | 17% | 0.174 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -67 | -26.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E101 N141 | E101-A118 WeakPolarHBondContact OE2-CB 3.37Å; A118-N141 PolarHBondContact O-N 2.89Å |
| 119 | R | 96.5 | Very high | 94 | Very high | 154 Ų | 154 | 41.8 Ų | 41.8 | 58% | 0.581 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -135.5 | 5.5 | -179.3 | -65.2 | -178.2 | -180 | -87 | 3.2 | 114.1 | L117 T138 | L117-R119 VanDerWaalsContact C-N 3.26Å; L117-R119 PolarHBondContact O-N 2.68Å; R119-T138 WeakPolarHBondContact CA-OG1 3.24Å; R119-T138 PolarHBondContact O-N 2.79Å; R119-T138 PolarHBondContact O-OG1 2.94Å |
| 120 | S | 97 | Very high | 94.2 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 156.2 | 179.3 | 68.4 | 0 | 0 | 0 | 0 | 112.2 | L117 F136 | L117-S120 WeakPolarHBondContact CA-O 3.35Å; L117-S120 PolarHBondContact N-O 3.18Å; S120-F136 CarbonylContact C-O 3.41Å; S120-F136 WeakPolarHBondContact CA-O 3.01Å; S120-F136 WeakPolarHBondContact CB-O 3.23Å |
| 121 | V | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 121.1 | 170.7 | 176.9 | 0 | 0 | 0 | 0 | 107.3 | V114 V115 V116 F136 T138 L157 F159 | V114-V121 HydrophobicContact CG1-CG1 3.51Å; V115-V121 WeakPolarHBondContact O-CA 3.48Å; V116-V121 HydrophobicContact CG1-CG2 4.12Å; V116-V121 HydrophobicContact CG2-CG2 4.36Å; V121-F136 HydrophobicContact CB-CB 4.43Å; V121-F136 PolarHBondContact N-O 2.79Å; V121-F136 PolarHBondContact O-N 3.47Å; V121-T138 HydrophobicContact CB-CG2 4.46Å; V121-T138 HydrophobicContact CG2-CG2 3.68Å; V121-L157 HydrophobicContact CG1-CD2 3.99Å; V121-F159 HydrophobicContact CG2-CB 4.16Å; V121-F159 HydrophobicContact CG2-CD1 4.33Å; V121-F159 HydrophobicContact CG2-CD2 4.28Å; V121-F159 HydrophobicContact CG2-CG 4.01Å |
| 122 | R | 97.8 | Very high | 95.1 | Very high | 50 Ų | 50 | 41.5 Ų | 41.5 | 19% | 0.189 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140.1 | -178.7 | -65 | -172 | -176.3 | -170.2 | 6.1 | 110.5 | D98 V114 V115 Y124 L132 L134 T135 | D98-R122 PolarHBondContact O-NH1 3.34Å; D98-R122 IonicContact OD1-NH1 2.93Å; D98-R122 IonicContact OD2-NH1 3.36Å; D98-R122 PolarHBondContact OD2-NH1 2.97Å; V114-R122 CarbonylContact C-O 3.44Å; V114-R122 WeakPolarHBondContact CA-O 3.4Å; V115-R122 PolarHBondContact N-O 3.01Å; V115-R122 PolarHBondContact O-N 3.28Å; R122-Y124 HydrophobicContact CB-CD2 4.33Å; R122-Y124 HydrophobicContact CB-CE2 3.46Å; R122-Y124 VanDerWaalsContact CB-CE2 3.46Å; R122-Y124 WeakPolarHBondContact CD-OH 3.39Å; R122-L132 HydrophobicContact CB-CD1 3.86Å; R122-L132 HydrophobicContact CG-CD1 4.23Å; R122-L134 CarbonylContact C-O 3.24Å; R122-L134 WeakPolarHBondContact CA-O 3.25Å; R122-T135 HydrophobicContact CG-CG2 4.14Å |
| 123 | V | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.7 | -179.5 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | R112 I113 V114 L133 L134 F136 L157 L172 | R112-V123 HydrophobicContact CB-CG1 4.32Å; R112-V123 HydrophobicContact CG-CG1 4.4Å; I113-V123 CarbonylContact O-C 3.59Å; I113-V123 WeakPolarHBondContact O-CA 3.49Å; V114-V123 HydrophobicContact CG2-CG1 4.29Å; V114-V123 HydrophobicContact CG2-CG2 4.18Å; V123-L133 WeakPolarHBondContact O-CA 3.44Å; V123-L133 WeakPolarHBondContact O-CB 3.34Å; V123-L133 PolarHBondContact O-N 2.84Å; V123-L134 HydrophobicContact CB-CB 4.13Å; V123-L134 HydrophobicContact CG2-CB 4.29Å; V123-L134 PolarHBondContact N-O 3.32Å; V123-L134 PolarHBondContact O-N 3.18Å; V123-F136 HydrophobicContact CG2-CD2 4.41Å; V123-F136 HydrophobicContact CG2-CE2 3.91Å; V123-L157 HydrophobicContact CG2-CD2 4.1Å; V123-L172 HydrophobicContact CG2-CD2 4.14Å |
| 124 | Y | 97.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 159 | -179.3 | -59.5 | -104.7 | 0 | 0 | 0 | 111.1 | I96 D98 R112 I113 V115 R122 Q131 L132 | I96-Y124 HydrophobicContact CD1-CD1 4.23Å; I96-Y124 HydrophobicContact CD1-CD2 4.11Å; I96-Y124 HydrophobicContact CD1-CG 3.93Å; I96-Y124 HydrophobicContact CG2-CD1 4.07Å; I96-Y124 HydrophobicContact CG2-CE1 3.57Å; I96-Y124 HydrophobicContact CG2-CE2 4.09Å; D98-Y124 WeakPolarHBondContact OD1-CE1 3.45Å; D98-Y124 VanDerWaalsContact OD1-CZ 3.3Å; D98-Y124 PolarHBondContact OD1-OH 2.94Å; D98-Y124 PolarHBondContact OD2-OH 3.45Å; R112-Y124 WeakPolarHBondContact CA-O 3.44Å; I113-Y124 PolarHBondContact N-O 3.04Å; I113-Y124 PolarHBondContact O-N 3.4Å; V115-Y124 HydrophobicContact CB-CE2 4.12Å; V115-Y124 HydrophobicContact CG2-CD2 3.99Å; V115-Y124 HydrophobicContact CG2-CE2 3.78Å; R122-Y124 HydrophobicContact CB-CD2 4.33Å; R122-Y124 HydrophobicContact CB-CE2 3.46Å; R122-Y124 VanDerWaalsContact CB-CE2 3.46Å; R122-Y124 WeakPolarHBondContact CD-OH 3.39Å; Y124-Q131 CarbonylContact C-O 3.43Å; Y124-Q131 WeakPolarHBondContact CA-O 3.33Å; Y124-L132 HydrophobicContact CD1-CB 3.99Å; Y124-L132 HydrophobicContact CD1-CD1 4.32Å; Y124-L132 HydrophobicContact CD2-CD1 4.46Å; Y124-L132 HydrophobicContact CE1-CB 3.75Å; Y124-L132 HydrophobicContact CE1-CD1 3.89Å; Y124-L132 HydrophobicContact CE1-CG 4.39Å; Y124-L132 HydrophobicContact CE2-CD1 4.04Å |
| 125 | T | 94.1 | Very high | 95.1 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 13% | 0.129 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 155.5 | 166.1 | 61 | 0 | 0 | 0 | 0 | 111.1 | A127 Q131 L133 | T125-A127 PolarHBondContact O-N 3.28Å; T125-A127 WeakPolarHBondContact OG1-CB 3.22Å; T125-A127 PolarHBondContact OG1-N 3.17Å; T125-Q131 HydrophobicContact CG2-CB 4.27Å; T125-Q131 PolarHBondContact N-O 2.79Å; T125-Q131 PolarHBondContact OG1-N 3.4Å; T125-L133 HydrophobicContact CG2-CD1 3.71Å; T125-L133 HydrophobicContact CG2-CD2 3.6Å; T125-L133 HydrophobicContact CG2-CG 3.72Å |
| 126 | F | 89.2 | Confident | 95 | Very high | 53 Ų | 53 | 49.1 Ų | 49.1 | 23% | 0.232 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -83.9 | 29.4 | 165.1 | -145.1 | -79.4 | 0 | 0 | 0 | 111.6 | Y65 I84 L108 I113 | Y65-F126 HydrophobicContact CD1-CE1 4.37Å; Y65-F126 HydrophobicContact CD1-CZ 4.31Å; Y65-F126 AromaticContact CD2-CE1 3.66Å; Y65-F126 HydrophobicContact CD2-CE1 3.66Å; Y65-F126 AromaticContact CD2-CZ 3.62Å; Y65-F126 HydrophobicContact CD2-CZ 3.62Å; Y65-F126 AromaticContact CE2-CE1 3.86Å; Y65-F126 HydrophobicContact CE2-CE1 3.86Å; Y65-F126 HydrophobicContact CE2-CZ 4.31Å; Y65-F126 AromaticContact CG-CE1 3.94Å; Y65-F126 HydrophobicContact CG-CE1 3.94Å; Y65-F126 AromaticContact CG-CZ 3.63Å; Y65-F126 HydrophobicContact CG-CZ 3.63Å; I84-F126 HydrophobicContact CG2-CE1 4.4Å; I84-F126 HydrophobicContact CG2-CZ 3.86Å; L108-F126 HydrophobicContact CD2-CE2 4.41Å; I113-F126 HydrophobicContact CD1-CD2 4.05Å; I113-F126 HydrophobicContact CD1-CE2 4.36Å; I113-F126 HydrophobicContact CD1-CG 4.49Å; I113-F126 HydrophobicContact CG1-CD2 3.67Å; I113-F126 HydrophobicContact CG1-CE2 4.05Å; I113-F126 HydrophobicContact CG1-CG 4.47Å |
| 127 | A | 89.4 | Confident | 94.9 | Very high | 44 Ų | 44 | 55.4 Ų | 55.4 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -80.5 | 171.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | T125 P129 P130 | T125-A127 PolarHBondContact O-N 3.28Å; T125-A127 WeakPolarHBondContact OG1-CB 3.22Å; T125-A127 PolarHBondContact OG1-N 3.17Å; A127-P129 CarbonylContact C-O 3.58Å; A127-P129 WeakPolarHBondContact CB-O 3.46Å; A127-P129 CarbonylContact O-C 3.46Å; A127-P129 VanDerWaalsContact O-C 3.28Å; A127-P130 WeakPolarHBondContact O-CD 3.2Å; A127-P130 VanDerWaalsContact O-N 3.12Å |
| 128 | N | 86.6 | Confident | 94.8 | Very high | 131 Ų | 131 | 55.5 Ų | 55.5 | 70% | 0.701 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -125.1 | 103.9 | 169.9 | -168.5 | 1.4 | 0 | 0 | 0 | 109.3 | V93 | V93-N128 PolarHBondContact O-ND2 2.91Š|
| 129 | P | 91.4 | Very high | 94.6 | Very high | 93 Ų | 93 | 55.1 Ų | 55.1 | 60% | 0.604 | 29% | 0.287 | S | S | * | . | S | Bend | cis | -75.8 | 154.4 | 4.1 | 31.6 | -35.4 | 0 | 0 | 0 | 113.3 | A127 | A127-P129 CarbonylContact C-O 3.58Å; A127-P129 WeakPolarHBondContact CB-O 3.46Å; A127-P129 CarbonylContact O-C 3.46Å; A127-P129 VanDerWaalsContact O-C 3.28Å |
| 130 | P | 95.7 | Very high | 94.5 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | trans | -60.4 | 138.5 | 170.7 | -23.3 | 34.5 | 0 | 0 | 0 | 111.4 | A94 I96 I113 A127 | A94-P130 HydrophobicContact CB-CG 3.76Å; I96-P130 HydrophobicContact CD1-CB 3.96Å; I96-P130 HydrophobicContact CD1-CG 4.26Å; I96-P130 HydrophobicContact CG1-CB 3.91Å; I96-P130 HydrophobicContact CG1-CG 3.9Å; I113-P130 HydrophobicContact CD1-CG 4.5Å; A127-P130 WeakPolarHBondContact O-CD 3.2Å; A127-P130 VanDerWaalsContact O-N 3.12Å | ||
| 131 | Q | 96.1 | Very high | 94.4 | Very high | 119 Ų | 119 | 52 Ų | 52 | 56% | 0.556 | 28% | 0.28 | S | S | * | . | trans | -117 | 133.6 | 179.6 | -66.1 | 178.6 | -11.6 | 0 | 0 | 110.4 | Y124 T125 L133 | Y124-Q131 CarbonylContact C-O 3.43Å; Y124-Q131 WeakPolarHBondContact CA-O 3.33Å; T125-Q131 HydrophobicContact CG2-CB 4.27Å; T125-Q131 PolarHBondContact N-O 2.79Å; T125-Q131 PolarHBondContact OG1-N 3.4Å; Q131-L133 PolarHBondContact O-N 2.82Å | ||
| 132 | L | 96.6 | Very high | 94.1 | Very high | 77 Ų | 77 | 60.4 Ų | 60.4 | 40% | 0.403 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 125.1 | 174.7 | 179.9 | 63.8 | 0 | 0 | 0 | 110 | R122 Y124 | R122-L132 HydrophobicContact CB-CD1 3.86Å; R122-L132 HydrophobicContact CG-CD1 4.23Å; Y124-L132 HydrophobicContact CD1-CB 3.99Å; Y124-L132 HydrophobicContact CD1-CD1 4.32Å; Y124-L132 HydrophobicContact CD2-CD1 4.46Å; Y124-L132 HydrophobicContact CE1-CB 3.75Å; Y124-L132 HydrophobicContact CE1-CD1 3.89Å; Y124-L132 HydrophobicContact CE1-CG 4.39Å; Y124-L132 HydrophobicContact CE2-CD1 4.04Å |
| 133 | L | 95 | Very high | 93.7 | Very high | 72 Ų | 72 | 63.4 Ų | 63.4 | 38% | 0.377 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -49.4 | 178.2 | -63.6 | 176.8 | 0 | 0 | 0 | 112 | R112 V123 T125 Q131 | R112-L133 VanDerWaalsContact CZ-CD1 3.49Å; V123-L133 WeakPolarHBondContact O-CA 3.44Å; V123-L133 WeakPolarHBondContact O-CB 3.34Å; V123-L133 PolarHBondContact O-N 2.84Å; T125-L133 HydrophobicContact CG2-CD1 3.71Å; T125-L133 HydrophobicContact CG2-CD2 3.6Å; T125-L133 HydrophobicContact CG2-CG 3.72Å; Q131-L133 PolarHBondContact O-N 2.82Å |
| 134 | L | 95.5 | Very high | 93.5 | Very high | 49 Ų | 49 | 63.6 Ų | 63.6 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 144.1 | -171.4 | -57.5 | 167.9 | 0 | 0 | 0 | 110.2 | R122 V123 F136 L172 P175 | R122-L134 CarbonylContact C-O 3.24Å; R122-L134 WeakPolarHBondContact CA-O 3.25Å; V123-L134 HydrophobicContact CB-CB 4.13Å; V123-L134 HydrophobicContact CG2-CB 4.29Å; V123-L134 PolarHBondContact N-O 3.32Å; V123-L134 PolarHBondContact O-N 3.18Å; L134-F136 HydrophobicContact CB-CE2 3.95Å; L134-F136 HydrophobicContact CB-CZ 4.02Å; L134-F136 HydrophobicContact CD1-CE2 4.28Å; L134-F136 HydrophobicContact CD1-CZ 3.92Å; L134-L172 HydrophobicContact CD1-CD2 4.15Å; L134-P175 HydrophobicContact CD1-CB 3.69Å; L134-P175 HydrophobicContact CD1-CG 4Å; L134-P175 HydrophobicContact CD2-CB 4.15Å; L134-P175 HydrophobicContact CD2-CG 4.21Å |
| 135 | T | 95.8 | Very high | 93.4 | Very high | 79 Ų | 79 | 64.6 Ų | 64.6 | 49% | 0.485 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 126.4 | 172 | -62.5 | 0 | 0 | 0 | 0 | 108.8 | R122 | R122-T135 HydrophobicContact CG-CG2 4.14Å |
| 136 | F | 95.5 | Very high | 93.6 | Very high | 28 Ų | 28 | 64 Ų | 64 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132.9 | 177 | -57.1 | -73.4 | 0 | 0 | 0 | 110.2 | S120 V121 V123 L134 L157 F159 V170 L172 | S120-F136 CarbonylContact C-O 3.41Å; S120-F136 WeakPolarHBondContact CA-O 3.01Å; S120-F136 WeakPolarHBondContact CB-O 3.23Å; V121-F136 HydrophobicContact CB-CB 4.43Å; V121-F136 PolarHBondContact N-O 2.79Å; V121-F136 PolarHBondContact O-N 3.47Å; V123-F136 HydrophobicContact CG2-CD2 4.41Å; V123-F136 HydrophobicContact CG2-CE2 3.91Å; L134-F136 HydrophobicContact CB-CE2 3.95Å; L134-F136 HydrophobicContact CB-CZ 4.02Å; L134-F136 HydrophobicContact CD1-CE2 4.28Å; L134-F136 HydrophobicContact CD1-CZ 3.92Å; F136-L157 HydrophobicContact CD2-CD2 4.28Å; F136-L157 HydrophobicContact CE2-CD2 4.08Å; F136-F159 HydrophobicContact CB-CE1 4.33Å; F136-F159 HydrophobicContact CB-CE2 3.9Å; F136-F159 HydrophobicContact CB-CZ 3.49Å; F136-F159 VanDerWaalsContact CB-CZ 3.49Å; F136-F159 HydrophobicContact CD1-CZ 4.25Å; F136-F159 HydrophobicContact CD2-CE1 4.2Å; F136-F159 HydrophobicContact CD2-CZ 4.11Å; F136-F159 HydrophobicContact CG-CE1 4.26Å; F136-F159 AromaticContact CG-CZ 3.7Å; F136-F159 HydrophobicContact CG-CZ 3.7Å; F136-V170 HydrophobicContact CD1-CG2 4.45Å; F136-V170 HydrophobicContact CE1-CG1 4.1Å; F136-V170 HydrophobicContact CE1-CG2 4.04Å; F136-V170 HydrophobicContact CZ-CB 4.35Å; F136-V170 HydrophobicContact CZ-CG1 3.84Å; F136-V170 HydrophobicContact CZ-CG2 4.27Å; F136-L172 HydrophobicContact CE2-CD2 4.28Å; F136-L172 HydrophobicContact CZ-CD2 4.48Å |
| 137 | E | 95.5 | Very high | 93.9 | Very high | 132 Ų | 132 | 63.3 Ų | 63.3 | 62% | 0.617 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 139 | 171.3 | -169.8 | -175.3 | 179.9 | 0 | 0 | 111 | V162 R168 | E137-V162 HydrophobicContact CG-CG2 4.04Å; E137-R168 PolarHBondContact O-NH1 2.74Å |
| 138 | T | 95.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | trans | -126.6 | 162.6 | 176.5 | 73.5 | 0 | 0 | 0 | 0 | 111.7 | R119 V121 F159 P160 | R119-T138 WeakPolarHBondContact CA-OG1 3.24Å; R119-T138 PolarHBondContact O-N 2.79Å; R119-T138 PolarHBondContact O-OG1 2.94Å; V121-T138 HydrophobicContact CB-CG2 4.46Å; V121-T138 HydrophobicContact CG2-CG2 3.68Å; T138-F159 HydrophobicContact CG2-CD2 3.39Å; T138-F159 HydrophobicContact CG2-CE2 3.79Å; T138-F159 HydrophobicContact CG2-CG 4.28Å; T138-P160 WeakPolarHBondContact CB-O 3.48Å | ||
| 139 | G | 92.5 | Very high | 94.4 | Very high | 12 Ų | 12 | 56.3 Ų | 56.3 | 12% | 0.124 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -64.2 | -179 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111 | N141 A161 | G139-N141 PolarHBondContact O-N 2.75Å; G139-A161 WeakPolarHBondContact CA-O 3.15Å; G139-A161 PolarHBondContact N-O 2.95Å; G139-A161 VanDerWaalsContact N-O 3.11Å |
| 140 | L | 93.9 | Very high | 93.8 | Very high | 98 Ų | 98 | 52.5 Ų | 52.5 | 51% | 0.513 | 26% | 0.258 | S | S | . | . | trans | -60.5 | 112.5 | 177.9 | -174.1 | 66.8 | 0 | 0 | 0 | 111 | R142 | L140-R142 HydrophobicContact CD1-CG 3.83Å; L140-R142 HydrophobicContact CD2-CG 4.48Å; L140-R142 HydrophobicContact CG-CG 4.01Å | ||
| 141 | N | 95.2 | Very high | 92.9 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.032 | 26% | 0.262 | C | S | . | . | trans | -122.9 | 47.1 | -172 | -165.1 | 18 | 0 | 0 | 0 | 113.1 | V116 A118 G139 R143 G144 L145 | V116-N141 WeakPolarHBondContact CG1-ND2 3.49Å; A118-N141 PolarHBondContact O-N 2.89Å; G139-N141 PolarHBondContact O-N 2.75Å; N141-R143 PolarHBondContact O-N 3.25Å; N141-G144 PolarHBondContact O-N 3.1Å; N141-L145 PolarHBondContact ND2-N 3.43Å; N141-L145 PolarHBondContact ND2-O 2.88Å; N141-L145 WeakPolarHBondContact OD1-CA 3.46Å; N141-L145 VanDerWaalsContact OD1-CB 3.3Å; N141-L145 WeakPolarHBondContact OD1-CB 3.48Å; N141-L145 PolarHBondContact OD1-N 3.45Å | ||
| 142 | R | 89.7 | Confident | 91.8 | Very high | 176 Ų | 176 | 53.5 Ų | 53.5 | 66% | 0.664 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -18.8 | -177.1 | -65.7 | -179.7 | -179.4 | -101.6 | 1.3 | 115.3 | L140 G144 | L140-R142 HydrophobicContact CD1-CG 3.83Å; L140-R142 HydrophobicContact CD2-CG 4.48Å; L140-R142 HydrophobicContact CG-CG 4.01Å; R142-G144 VanDerWaalsContact C-N 3.33Å |
| 143 | R | 90.2 | Very high | 90.7 | Very high | 114 Ų | 114 | 56 Ų | 56 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 0.2 | 176.4 | -70 | -175.7 | 171.7 | 151.4 | 1.2 | 113.1 | N141 L145 | N141-R143 PolarHBondContact O-N 3.25Å; R143-L145 VanDerWaalsContact C-N 3.26Å; R143-L145 PolarHBondContact O-N 2.85Å |
| 144 | G | 93.5 | Very high | 90.2 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | trans | 59.1 | 37.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | C104 S105 N141 R142 C146 | C104-G144 WeakPolarHBondContact O-CA 3.41Å; S105-G144 VanDerWaalsContact CB-O 3.26Å; S105-G144 WeakPolarHBondContact CB-O 3.44Å; N141-G144 PolarHBondContact O-N 3.1Å; R142-G144 VanDerWaalsContact C-N 3.33Å; G144-C146 PolarHBondContact O-N 3.45Å | ||
| 145 | L | 95.4 | Very high | 90 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | trans | -66.6 | 109.8 | -177.8 | -175.4 | 60.6 | 0 | 0 | 0 | 109.2 | N141 R143 P160 L189 L192 | N141-L145 PolarHBondContact ND2-N 3.43Å; N141-L145 PolarHBondContact ND2-O 2.88Å; N141-L145 WeakPolarHBondContact OD1-CA 3.46Å; N141-L145 VanDerWaalsContact OD1-CB 3.3Å; N141-L145 WeakPolarHBondContact OD1-CB 3.48Å; N141-L145 PolarHBondContact OD1-N 3.45Å; R143-L145 VanDerWaalsContact C-N 3.26Å; R143-L145 PolarHBondContact O-N 2.85Å; L145-P160 HydrophobicContact CB-CG 4.1Å; L145-P160 HydrophobicContact CD2-CG 4.04Å; L145-P160 HydrophobicContact CG-CG 4.27Å; L145-P160 WeakPolarHBondContact O-CD 3.21Å; L145-L189 HydrophobicContact CD2-CB 3.64Å; L145-L192 HydrophobicContact CD1-CB 4.14Å; L145-L192 HydrophobicContact CD2-CB 4.4Å; L145-L192 HydrophobicContact CD2-CD1 3.81Å; L145-L192 HydrophobicContact CD2-CG 4.4Å; L145-L192 HydrophobicContact CG-CB 4.2Å; L145-L192 HydrophobicContact CG-CD1 4.02Å | ||
| 146 | C | 96.3 | Very high | 89.9 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | trans | -159.2 | 141.2 | -178.8 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | V116 G144 L157 A158 | V116-C146 HydrophobicContact CG1-CB 4.43Å; V116-C146 HydrophobicContact CG2-CB 3.45Å; V116-C146 VanDerWaalsContact CG2-CB 3.45Å; G144-C146 PolarHBondContact O-N 3.45Å; C146-L157 WeakPolarHBondContact SG-CD1 3.16Å; C146-A158 CarbonylContact C-O 3.58Å; C146-A158 WeakPolarHBondContact CA-O 3.33Å | ||
| 147 | H | 95.7 | Very high | 90 | Very high | 37 Ų | 37 | 47.8 Ų | 47.8 | 17% | 0.171 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 123 | 172.9 | -161.8 | 84.6 | 0 | 0 | 0 | 109.9 | A158 L192 T193 F194 | H147-A158 PolarHBondContact N-O 3.12Å; H147-A158 PolarHBondContact O-N 2.88Å; H147-L192 WeakPolarHBondContact CB-O 3.18Å; H147-T193 PolarHBondContact CE1-OG1 3.5Å; H147-F194 AromaticContact CD2-CD2 3.69Å; H147-F194 PolarHBondContact CD2-N 3.4Å; H147-F194 VanDerWaalsContact CD2-N 3.25Å; H147-F194 PolarHBondContact NE2-N 3.04Å |
| 148 | L | 95 | Very high | 90.1 | Very high | 16 Ų | 16 | 41.5 Ų | 41.5 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 113.8 | 176.9 | 176.6 | 60.9 | 0 | 0 | 0 | 108.3 | K107 R109 V114 L157 L172 | K107-L148 HydrophobicContact CB-CB 3.81Å; K107-L148 HydrophobicContact CB-CD2 3.97Å; K107-L148 HydrophobicContact CG-CB 4.36Å; R109-L148 HydrophobicContact CB-CD2 3.94Å; V114-L148 HydrophobicContact CB-CD2 4.43Å; V114-L148 HydrophobicContact CG2-CD1 4.42Å; V114-L148 HydrophobicContact CG2-CD2 3.73Å; L148-L157 HydrophobicContact CB-CD1 4.17Å; L148-L157 HydrophobicContact CD1-CB 4.41Å; L148-L157 HydrophobicContact CD1-CD1 4.15Å; L148-L172 HydrophobicContact CD1-CD1 3.68Å |
| 149 | L | 92.4 | Very high | 90.2 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | trans | -87.7 | 119.8 | 167.6 | -175.3 | 67.4 | 0 | 0 | 0 | 108.5 | T151 C154 A155 L156 F194 | L149-T151 HydrophobicContact CD1-CG2 3.99Å; L149-T151 HydrophobicContact CG-CG2 4.33Å; L149-C154 HydrophobicContact CD2-CB 4.1Å; L149-A155 CarbonylContact O-C 3.52Å; L149-L156 HydrophobicContact CB-CB 4.34Å; L149-L156 PolarHBondContact N-O 2.81Å; L149-L156 PolarHBondContact O-N 2.92Å; L149-F194 HydrophobicContact CB-CB 4.25Å; L149-F194 HydrophobicContact CB-CD2 3.7Å; L149-F194 HydrophobicContact CB-CE2 4.46Å; L149-F194 HydrophobicContact CB-CG 4.24Å; L149-F194 HydrophobicContact CD2-CB 4.23Å; L149-F194 HydrophobicContact CD2-CG 4.48Å | ||
| 150 | G | 77.7 | Confident | 90.4 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 12% | 0.124 | 22% | 0.217 | C | C | . | . | trans | -128.5 | 56.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 151 | T | 78.3 | Confident | 90.6 | Very high | 38 Ų | 38 | 37 Ų | 37 | 23% | 0.233 | 19% | 0.194 | C | C | . | . | trans | -79.5 | 174.1 | 170.8 | 66.3 | 0 | 0 | 0 | 0 | 110.1 | L149 T153 C154 M196 | L149-T151 HydrophobicContact CD1-CG2 3.99Å; L149-T151 HydrophobicContact CG-CG2 4.33Å; T151-T153 PolarHBondContact O-N 2.77Å; T151-C154 PolarHBondContact N-O 3.08Å; T151-C154 VanDerWaalsContact N-O 3.08Å; T151-C154 VanDerWaalsContact OG1-CB 3.25Å; T151-C154 WeakPolarHBondContact OG1-CB 3.41Å; T151-C154 PolarHBondContact OG1-N 3.13Å; T151-C154 PolarHBondContact OG1-O 2.81Å; T151-M196 WeakPolarHBondContact CG2-O 3.35Å | ||
| 152 | T | 72.1 | Confident | 90.6 | Very high | 125 Ų | 125 | 40 Ų | 40 | 77% | 0.767 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -66.4 | -24.6 | 177.2 | 45.2 | 0 | 0 | 0 | 0 | 113 | ||
| 153 | T | 74.5 | Confident | 91 | Very high | 130 Ų | 130 | 38.2 Ų | 38.2 | 80% | 0.798 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -108.1 | -16.6 | -175.6 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | T151 | T151-T153 PolarHBondContact O-N 2.77Š|
| 154 | C | 83.5 | Confident | 91.3 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | trans | -135.5 | 131 | -170.4 | -160.1 | 0 | 0 | 0 | 0 | 111.8 | L149 T151 L156 | L149-C154 HydrophobicContact CD2-CB 4.1Å; T151-C154 PolarHBondContact N-O 3.08Å; T151-C154 VanDerWaalsContact N-O 3.08Å; T151-C154 VanDerWaalsContact OG1-CB 3.25Å; T151-C154 WeakPolarHBondContact OG1-CB 3.41Å; T151-C154 PolarHBondContact OG1-N 3.13Å; T151-C154 PolarHBondContact OG1-O 2.81Å; C154-L156 VanDerWaalsContact SG-CD1 3.54Å; C154-L156 WeakPolarHBondContact SG-CG 3.49Å | ||
| 155 | A | 90.9 | Very high | 91.4 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | trans | -127 | 42.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L149 L172 A173 | L149-A155 CarbonylContact O-C 3.52Å; A155-L172 HydrophobicContact CB-CB 4.33Å; A155-L172 WeakPolarHBondContact O-CB 3.38Å; A155-L172 WeakPolarHBondContact O-CG 3.41Å; A155-L172 PolarHBondContact O-N 2.91Å; A155-A173 HydrophobicContact CB-CB 4.18Å | ||
| 156 | L | 94.8 | Very high | 91.5 | Very high | 22 Ų | 22 | 36.1 Ų | 36.1 | 12% | 0.115 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 137.7 | -172.4 | -64.4 | 174.1 | 0 | 0 | 0 | 113 | L149 C154 V169 V170 D171 F194 G198 | L149-L156 HydrophobicContact CB-CB 4.34Å; L149-L156 PolarHBondContact N-O 2.81Å; L149-L156 PolarHBondContact O-N 2.92Å; C154-L156 VanDerWaalsContact SG-CD1 3.54Å; C154-L156 WeakPolarHBondContact SG-CG 3.49Å; L156-V169 HydrophobicContact CD2-CG1 4.18Å; L156-V170 WeakPolarHBondContact CA-O 3.35Å; L156-D171 HydrophobicContact CD2-CB 3.95Å; L156-F194 HydrophobicContact CB-CD2 4.25Å; L156-F194 HydrophobicContact CB-CE1 4.37Å; L156-F194 HydrophobicContact CB-CE2 3.63Å; L156-F194 HydrophobicContact CB-CZ 3.69Å; L156-F194 HydrophobicContact CD1-CE1 4.15Å; L156-F194 HydrophobicContact CD1-CZ 4.26Å; L156-G198 WeakPolarHBondContact CD1-O 3.23Å |
| 157 | L | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.6 | 174.8 | -179.1 | 63.6 | 0 | 0 | 0 | 109.5 | V114 V121 V123 F136 C146 L148 F159 V169 V170 L172 | V114-L157 HydrophobicContact CG1-CD1 4.02Å; V114-L157 HydrophobicContact CG1-CD2 4.28Å; V121-L157 HydrophobicContact CG1-CD2 3.99Å; V123-L157 HydrophobicContact CG2-CD2 4.1Å; F136-L157 HydrophobicContact CD2-CD2 4.28Å; F136-L157 HydrophobicContact CE2-CD2 4.08Å; C146-L157 WeakPolarHBondContact SG-CD1 3.16Å; L148-L157 HydrophobicContact CB-CD1 4.17Å; L148-L157 HydrophobicContact CD1-CB 4.41Å; L148-L157 HydrophobicContact CD1-CD1 4.15Å; L157-F159 HydrophobicContact CD2-CD1 4.19Å; L157-F159 HydrophobicContact CD2-CE1 3.95Å; L157-F159 HydrophobicContact CG-CD1 3.87Å; L157-F159 HydrophobicContact CG-CE1 3.98Å; L157-V169 CarbonylContact O-C 3.52Å; L157-V169 VanDerWaalsContact O-CA 3.32Å; L157-V169 WeakPolarHBondContact O-CA 3.31Å; L157-V170 PolarHBondContact N-O 2.93Å; L157-V170 PolarHBondContact O-N 2.54Å; L157-L172 HydrophobicContact CB-CD1 4.17Å; L157-L172 HydrophobicContact CB-CD2 4.2Å; L157-L172 HydrophobicContact CB-CG 4.06Å; L157-L172 HydrophobicContact CD2-CD1 4.49Å; L157-L172 HydrophobicContact CD2-CD2 4.03Å |
| 158 | A | 97.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C146 H147 R168 V169 L192 F194 L201 | C146-A158 CarbonylContact C-O 3.58Å; C146-A158 WeakPolarHBondContact CA-O 3.33Å; H147-A158 PolarHBondContact N-O 3.12Å; H147-A158 PolarHBondContact O-N 2.88Å; A158-R168 WeakPolarHBondContact CA-O 3.46Å; A158-V169 HydrophobicContact CB-CG2 4.17Å; A158-L192 HydrophobicContact CB-CD2 4.3Å; A158-F194 HydrophobicContact CB-CD2 4.45Å; A158-F194 HydrophobicContact CB-CE1 4.39Å; A158-F194 HydrophobicContact CB-CE2 3.51Å; A158-F194 HydrophobicContact CB-CZ 3.47Å; A158-F194 VanDerWaalsContact CB-CZ 3.47Å; A158-L201 HydrophobicContact CB-CD1 3.94Å; A158-L201 HydrophobicContact CB-CD2 4.29Å |
| 159 | F | 97.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 163.9 | 178.7 | 50.8 | -89.6 | 0 | 0 | 0 | 111.2 | V121 F136 T138 L157 A161 R168 V170 | V121-F159 HydrophobicContact CG2-CB 4.16Å; V121-F159 HydrophobicContact CG2-CD1 4.33Å; V121-F159 HydrophobicContact CG2-CD2 4.28Å; V121-F159 HydrophobicContact CG2-CG 4.01Å; F136-F159 HydrophobicContact CB-CE1 4.33Å; F136-F159 HydrophobicContact CB-CE2 3.9Å; F136-F159 HydrophobicContact CB-CZ 3.49Å; F136-F159 VanDerWaalsContact CB-CZ 3.49Å; F136-F159 HydrophobicContact CD1-CZ 4.25Å; F136-F159 HydrophobicContact CD2-CE1 4.2Å; F136-F159 HydrophobicContact CD2-CZ 4.11Å; F136-F159 HydrophobicContact CG-CE1 4.26Å; F136-F159 AromaticContact CG-CZ 3.7Å; F136-F159 HydrophobicContact CG-CZ 3.7Å; T138-F159 HydrophobicContact CG2-CD2 3.39Å; T138-F159 HydrophobicContact CG2-CE2 3.79Å; T138-F159 HydrophobicContact CG2-CG 4.28Å; L157-F159 HydrophobicContact CD2-CD1 4.19Å; L157-F159 HydrophobicContact CD2-CE1 3.95Å; L157-F159 HydrophobicContact CG-CD1 3.87Å; L157-F159 HydrophobicContact CG-CE1 3.98Å; F159-A161 PolarHBondContact O-N 2.83Å; F159-R168 HydrophobicContact CD2-CB 4.22Å; F159-R168 HydrophobicContact CE2-CB 3.82Å; F159-R168 HydrophobicContact CE2-CG 4.11Å; F159-R168 HydrophobicContact CZ-CB 4.1Å; F159-R168 HydrophobicContact CZ-CG 3.98Å; F159-R168 PolarHBondContact N-O 3.21Å; F159-R168 PolarHBondContact O-N 2.93Å; F159-V170 HydrophobicContact CE1-CG2 4.28Å; F159-V170 HydrophobicContact CZ-CG2 4.3Å |
| 160 | P | 97.9 | Very high | 91.9 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 10% | 0.097 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 130.6 | 173.8 | -24.7 | 35 | 0 | 0 | 0 | 112.3 | T138 L145 L192 | T138-P160 WeakPolarHBondContact CB-O 3.48Å; L145-P160 HydrophobicContact CB-CG 4.1Å; L145-P160 HydrophobicContact CD2-CG 4.04Å; L145-P160 HydrophobicContact CG-CG 4.27Å; L145-P160 WeakPolarHBondContact O-CD 3.21Å; P160-L192 HydrophobicContact CG-CD1 4.3Å |
| 161 | A | 96.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | trans | -74.3 | 175 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G139 F159 K163 S166 R168 E181 | G139-A161 WeakPolarHBondContact CA-O 3.15Å; G139-A161 PolarHBondContact N-O 2.95Å; G139-A161 VanDerWaalsContact N-O 3.11Å; F159-A161 PolarHBondContact O-N 2.83Å; A161-K163 VanDerWaalsContact C-N 3.3Å; A161-K163 PolarHBondContact O-N 2.81Å; A161-S166 PolarHBondContact N-O 3.03Å; A161-R168 HydrophobicContact CB-CB 4.23Å; A161-E181 VanDerWaalsContact CB-CD 3.49Å; A161-E181 HydrophobicContact CB-CG 3.89Å | ||
| 162 | V | 96.7 | Very high | 93.2 | Very high | 70 Ų | 70 | 34.9 Ų | 34.9 | 42% | 0.424 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -60.8 | -41.2 | 176.5 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | E137 V164 | E137-V162 HydrophobicContact CG-CG2 4.04Å; V162-V164 PolarHBondContact O-N 3.09Å |
| 163 | K | 96.7 | Very high | 94 | Very high | 138 Ų | 138 | 32.6 Ų | 32.6 | 60% | 0.6 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -71.9 | 122.9 | 176.4 | -176.1 | 177.5 | 179.9 | 176.1 | 0 | 111 | A161 G165 S166 | A161-K163 VanDerWaalsContact C-N 3.3Å; A161-K163 PolarHBondContact O-N 2.81Å; K163-G165 PolarHBondContact O-N 3.46Å; K163-S166 WeakPolarHBondContact O-CB 3.12Å; K163-S166 PolarHBondContact O-N 2.8Å; K163-S166 PolarHBondContact O-OG 2.65Å |
| 164 | V | 96.9 | Very high | 94.6 | Very high | 90 Ų | 90 | 30.5 Ų | 30.5 | 55% | 0.545 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 130.4 | -179.8 | 177.2 | 0 | 0 | 0 | 0 | 112 | V162 S166 P188 | V162-V164 PolarHBondContact O-N 3.09Å; V164-S166 PolarHBondContact O-N 3.26Å; V164-P188 HydrophobicContact CG1-CG 3.87Å |
| 165 | G | 96.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 0.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K163 A184 H185 S187 | K163-G165 PolarHBondContact O-N 3.46Å; G165-A184 PolarHBondContact O-N 2.81Å; G165-H185 CarbonylContact C-O 3.58Å; G165-H185 VanDerWaalsContact CA-O 3.29Å; G165-H185 WeakPolarHBondContact CA-O 3.4Å; G165-H185 PolarHBondContact O-N 2.86Å; G165-S187 VanDerWaalsContact CA-O 3.24Å; G165-S187 WeakPolarHBondContact CA-O 3.35Å |
| 166 | S | 98.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 153.9 | 174.1 | -49 | 0 | 0 | 0 | 0 | 110.8 | A161 K163 V164 F182 | A161-S166 PolarHBondContact N-O 3.03Å; K163-S166 WeakPolarHBondContact O-CB 3.12Å; K163-S166 PolarHBondContact O-N 2.8Å; K163-S166 PolarHBondContact O-OG 2.65Å; V164-S166 PolarHBondContact O-N 3.26Å; S166-F182 CarbonylContact C-O 3.51Å; S166-F182 VanDerWaalsContact CA-O 3.26Å; S166-F182 WeakPolarHBondContact CA-O 3.32Å; S166-F182 WeakPolarHBondContact CB-O 3.32Å |
| 167 | V | 97.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 139.7 | -176.7 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | V169 E181 F182 A184 L189 L192 L201 T203 | V167-V169 HydrophobicContact CG1-CG2 4.13Å; V167-E181 VanDerWaalsContact O-CA 3.3Å; V167-E181 WeakPolarHBondContact O-CA 3.37Å; V167-F182 HydrophobicContact CB-CE2 4.3Å; V167-F182 HydrophobicContact CB-CZ 4.2Å; V167-F182 HydrophobicContact CG1-CZ 4.45Å; V167-F182 HydrophobicContact CG2-CE2 4.42Å; V167-F182 PolarHBondContact N-O 3.44Å; V167-F182 PolarHBondContact O-N 2.91Å; V167-A184 HydrophobicContact CG2-CB 3.69Å; V167-L189 HydrophobicContact CG2-CD1 3.44Å; V167-L189 VanDerWaalsContact CG2-CD1 3.44Å; V167-L192 HydrophobicContact CB-CD2 4.34Å; V167-L192 HydrophobicContact CG1-CD1 4.35Å; V167-L192 HydrophobicContact CG1-CD2 3.5Å; V167-L192 VanDerWaalsContact CG1-CD2 3.5Å; V167-L192 HydrophobicContact CG2-CD1 4.33Å; V167-L192 HydrophobicContact CG2-CD2 3.82Å; V167-L192 HydrophobicContact CG2-CG 4.47Å; V167-L201 HydrophobicContact CG1-CD2 3.68Å; V167-T203 HydrophobicContact CG2-CG2 4.06Å |
| 168 | R | 96.8 | Very high | 91.8 | Very high | 40 Ų | 40 | 43.8 Ų | 43.8 | 15% | 0.151 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.7 | 166.2 | -170 | 171.6 | -68.7 | 161.5 | -2.6 | 109.5 | E137 A158 F159 A161 V170 C179 L180 E181 | E137-R168 PolarHBondContact O-NH1 2.74Å; A158-R168 WeakPolarHBondContact CA-O 3.46Å; F159-R168 HydrophobicContact CD2-CB 4.22Å; F159-R168 HydrophobicContact CE2-CB 3.82Å; F159-R168 HydrophobicContact CE2-CG 4.11Å; F159-R168 HydrophobicContact CZ-CB 4.1Å; F159-R168 HydrophobicContact CZ-CG 3.98Å; F159-R168 PolarHBondContact N-O 3.21Å; F159-R168 PolarHBondContact O-N 2.93Å; A161-R168 HydrophobicContact CB-CB 4.23Å; R168-V170 HydrophobicContact CG-CG2 4.11Å; R168-C179 VanDerWaalsContact CD-SG 3.58Å; R168-L180 CarbonylContact C-O 3.52Å; R168-L180 WeakPolarHBondContact CA-O 3.35Å; R168-E181 IonicContact CZ-OE2 3.25Å; R168-E181 IonicContact NE-OE2 3.18Å; R168-E181 PolarHBondContact NE-OE2 2.62Å; R168-E181 VanDerWaalsContact NE-OE2 3.12Å; R168-E181 IonicContact NH2-OE2 3.54Å; R168-E181 PolarHBondContact NH2-OE2 2.65Å |
| 169 | V | 96.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 130.7 | 174.5 | 176.2 | 0 | 0 | 0 | 0 | 107.8 | L156 L157 A158 V167 L180 F182 F194 L201 | L156-V169 HydrophobicContact CD2-CG1 4.18Å; L157-V169 CarbonylContact O-C 3.52Å; L157-V169 VanDerWaalsContact O-CA 3.32Å; L157-V169 WeakPolarHBondContact O-CA 3.31Å; A158-V169 HydrophobicContact CB-CG2 4.17Å; V167-V169 HydrophobicContact CG1-CG2 4.13Å; V169-L180 HydrophobicContact CB-CB 4.37Å; V169-L180 PolarHBondContact N-O 3.15Å; V169-L180 PolarHBondContact O-N 3.36Å; V169-F182 HydrophobicContact CG2-CE1 4.27Å; V169-F194 HydrophobicContact CG1-CE1 4.26Å; V169-F194 HydrophobicContact CG1-CZ 3.79Å; V169-F194 HydrophobicContact CG2-CE1 4.42Å; V169-F194 HydrophobicContact CG2-CZ 4.15Å; V169-L201 HydrophobicContact CG2-CD2 3.86Å |
| 170 | V | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 136.4 | -179.8 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | F136 L156 L157 F159 R168 P175 | F136-V170 HydrophobicContact CD1-CG2 4.45Å; F136-V170 HydrophobicContact CE1-CG1 4.1Å; F136-V170 HydrophobicContact CE1-CG2 4.04Å; F136-V170 HydrophobicContact CZ-CB 4.35Å; F136-V170 HydrophobicContact CZ-CG1 3.84Å; F136-V170 HydrophobicContact CZ-CG2 4.27Å; L156-V170 WeakPolarHBondContact CA-O 3.35Å; L157-V170 PolarHBondContact N-O 2.93Å; L157-V170 PolarHBondContact O-N 2.54Å; F159-V170 HydrophobicContact CE1-CG2 4.28Å; F159-V170 HydrophobicContact CZ-CG2 4.3Å; R168-V170 HydrophobicContact CG-CG2 4.11Å; V170-P175 HydrophobicContact CG1-CB 4.5Å |
| 171 | D | 93.1 | Very high | 91 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 113.1 | 166.1 | -170.7 | -5.4 | 0 | 0 | 0 | 109.9 | L156 A173 N174 P175 S178 | L156-D171 HydrophobicContact CD2-CB 3.95Å; D171-A173 PolarHBondContact O-N 3.18Å; D171-A173 VanDerWaalsContact OD1-CB 3.31Å; D171-A173 WeakPolarHBondContact OD1-CB 3.47Å; D171-A173 PolarHBondContact OD1-N 3.4Å; D171-N174 CarbonylContact O-C 3.57Å; D171-N174 PolarHBondContact O-N 2.78Å; D171-P175 WeakPolarHBondContact O-CA 3.47Å; D171-P175 VanDerWaalsContact O-N 3.13Å; D171-S178 WeakPolarHBondContact CA-OG 3.34Å; D171-S178 WeakPolarHBondContact CB-OG 3.47Å; D171-S178 PolarHBondContact N-OG 2.58Å; D171-S178 PolarHBondContact O-OG 2.97Å |
| 172 | L | 91.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 53.6 Ų | 53.6 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -12.3 | 178.2 | -60.8 | -179.7 | 0 | 0 | 0 | 113 | V123 L134 F136 L148 A155 L157 | V123-L172 HydrophobicContact CG2-CD2 4.14Å; L134-L172 HydrophobicContact CD1-CD2 4.15Å; F136-L172 HydrophobicContact CE2-CD2 4.28Å; F136-L172 HydrophobicContact CZ-CD2 4.48Å; L148-L172 HydrophobicContact CD1-CD1 3.68Å; A155-L172 HydrophobicContact CB-CB 4.33Å; A155-L172 WeakPolarHBondContact O-CB 3.38Å; A155-L172 WeakPolarHBondContact O-CG 3.41Å; A155-L172 PolarHBondContact O-N 2.91Å; L157-L172 HydrophobicContact CB-CD1 4.17Å; L157-L172 HydrophobicContact CB-CD2 4.2Å; L157-L172 HydrophobicContact CB-CG 4.06Å; L157-L172 HydrophobicContact CD2-CD1 4.49Å; L157-L172 HydrophobicContact CD2-CD2 4.03Å |
| 173 | A | 88.1 | Confident | 91.1 | Very high | 77 Ų | 77 | 53.7 Ų | 53.7 | 64% | 0.636 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -27.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A155 D171 | A155-A173 HydrophobicContact CB-CB 4.18Å; D171-A173 PolarHBondContact O-N 3.18Å; D171-A173 VanDerWaalsContact OD1-CB 3.31Å; D171-A173 WeakPolarHBondContact OD1-CB 3.47Å; D171-A173 PolarHBondContact OD1-N 3.4Å |
| 174 | N | 87.2 | Confident | 91.1 | Very high | 86 Ų | 86 | 47.2 Ų | 47.2 | 46% | 0.46 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -142.5 | 73.1 | 177.9 | -175.2 | 7.8 | 0 | 0 | 0 | 111.1 | D171 E176 G177 S178 | D171-N174 CarbonylContact O-C 3.57Å; D171-N174 PolarHBondContact O-N 2.78Å; N174-E176 VanDerWaalsContact C-N 3.28Å; N174-E176 PolarHBondContact O-N 3.03Å; N174-G177 PolarHBondContact O-N 2.9Å; N174-G177 PolarHBondContact OD1-N 2.99Å; N174-S178 WeakPolarHBondContact O-CB 3.25Å; N174-S178 PolarHBondContact O-N 2.71Å; N174-S178 PolarHBondContact O-OG 3.19Å |
| 175 | P | 80.7 | Confident | 91.1 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 29% | 0.292 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -27.4 | -172.9 | 26.5 | -34.9 | 0 | 0 | 0 | 113.4 | L134 V170 D171 | L134-P175 HydrophobicContact CD1-CB 3.69Å; L134-P175 HydrophobicContact CD1-CG 4Å; L134-P175 HydrophobicContact CD2-CB 4.15Å; L134-P175 HydrophobicContact CD2-CG 4.21Å; V170-P175 HydrophobicContact CG1-CB 4.5Å; D171-P175 WeakPolarHBondContact O-CA 3.47Å; D171-P175 VanDerWaalsContact O-N 3.13Å |
| 176 | E | 79 | Confident | 91.1 | Very high | 192 Ų | 192 | 48.5 Ų | 48.5 | 90% | 0.897 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -30.9 | -178.3 | -64 | -176.4 | 176.4 | 0 | 0 | 112.6 | N174 | N174-E176 VanDerWaalsContact C-N 3.28Å; N174-E176 PolarHBondContact O-N 3.03Å |
| 177 | G | 70.2 | Confident | 91 | Very high | 61 Ų | 61 | 49 Ų | 49 | 63% | 0.629 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -10.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | N174 | N174-G177 PolarHBondContact O-N 2.9Å; N174-G177 PolarHBondContact OD1-N 2.99Å |
| 178 | S | 77.4 | Confident | 90.9 | Very high | 35 Ų | 35 | 51.6 Ų | 51.6 | 25% | 0.245 | 31% | 0.313 | C | S | . | . | trans | -129.7 | 31.3 | -158.2 | 68.9 | 0 | 0 | 0 | 0 | 115.7 | D171 N174 L180 | D171-S178 WeakPolarHBondContact CA-OG 3.34Å; D171-S178 WeakPolarHBondContact CB-OG 3.47Å; D171-S178 PolarHBondContact N-OG 2.58Å; D171-S178 PolarHBondContact O-OG 2.97Å; N174-S178 WeakPolarHBondContact O-CB 3.25Å; N174-S178 PolarHBondContact O-N 2.71Å; N174-S178 PolarHBondContact O-OG 3.19Å; S178-L180 PolarHBondContact O-N 2.76Å | ||
| 179 | C | 86.9 | Confident | 90.9 | Very high | 78 Ų | 78 | 50.6 Ų | 50.6 | 53% | 0.527 | 31% | 0.31 | S | S | . | . | trans | -83.5 | 103 | 177.1 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | R168 | R168-C179 VanDerWaalsContact CD-SG 3.58Š| ||
| 180 | L | 94.3 | Very high | 90.9 | Very high | 39 Ų | 39 | 51.1 Ų | 51.1 | 20% | 0.204 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.7 | 175.1 | 173.1 | 66.9 | 0 | 0 | 0 | 110.2 | R168 V169 S178 F182 T216 | R168-L180 CarbonylContact C-O 3.52Å; R168-L180 WeakPolarHBondContact CA-O 3.35Å; V169-L180 HydrophobicContact CB-CB 4.37Å; V169-L180 PolarHBondContact N-O 3.15Å; V169-L180 PolarHBondContact O-N 3.36Å; S178-L180 PolarHBondContact O-N 2.76Å; L180-F182 HydrophobicContact CD1-CD1 4.34Å; L180-F182 HydrophobicContact CD2-CD1 4.03Å; L180-F182 HydrophobicContact CD2-CE1 3.94Å; L180-F182 HydrophobicContact CG-CD1 3.88Å; L180-F182 HydrophobicContact CG-CE1 4.19Å; L180-T216 WeakPolarHBondContact CD2-O 3.42Å |
| 181 | E | 96 | Very high | 90.9 | Very high | 84 Ų | 84 | 51.5 Ų | 51.5 | 39% | 0.393 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 130.1 | 174.2 | -173.9 | 171.6 | 144.6 | 0 | 0 | 111.6 | A161 V167 R168 | A161-E181 VanDerWaalsContact CB-CD 3.49Å; A161-E181 HydrophobicContact CB-CG 3.89Å; V167-E181 VanDerWaalsContact O-CA 3.3Å; V167-E181 WeakPolarHBondContact O-CA 3.37Å; R168-E181 IonicContact CZ-OE2 3.25Å; R168-E181 IonicContact NE-OE2 3.18Å; R168-E181 PolarHBondContact NE-OE2 2.62Å; R168-E181 VanDerWaalsContact NE-OE2 3.12Å; R168-E181 IonicContact NH2-OE2 3.54Å; R168-E181 PolarHBondContact NH2-OE2 2.65Å |
| 182 | F | 97.3 | Very high | 91 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 10% | 0.101 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 152.8 | 177.8 | 58.9 | -89 | 0 | 0 | 0 | 113.1 | S166 V167 V169 L180 A184 L201 F214 G219 | S166-F182 CarbonylContact C-O 3.51Å; S166-F182 VanDerWaalsContact CA-O 3.26Å; S166-F182 WeakPolarHBondContact CA-O 3.32Å; S166-F182 WeakPolarHBondContact CB-O 3.32Å; V167-F182 HydrophobicContact CB-CE2 4.3Å; V167-F182 HydrophobicContact CB-CZ 4.2Å; V167-F182 HydrophobicContact CG1-CZ 4.45Å; V167-F182 HydrophobicContact CG2-CE2 4.42Å; V167-F182 PolarHBondContact N-O 3.44Å; V167-F182 PolarHBondContact O-N 2.91Å; V169-F182 HydrophobicContact CG2-CE1 4.27Å; L180-F182 HydrophobicContact CD1-CD1 4.34Å; L180-F182 HydrophobicContact CD2-CD1 4.03Å; L180-F182 HydrophobicContact CD2-CE1 3.94Å; L180-F182 HydrophobicContact CG-CD1 3.88Å; L180-F182 HydrophobicContact CG-CE1 4.19Å; F182-A184 HydrophobicContact CD2-CB 4.45Å; F182-A184 HydrophobicContact CE2-CB 4.25Å; F182-A184 PolarHBondContact O-N 3.08Å; F182-L201 HydrophobicContact CZ-CD2 4.02Å; F182-F214 AromaticContact CD2-CD1 3.75Å; F182-F214 HydrophobicContact CD2-CD1 3.75Å; F182-F214 AromaticContact CD2-CE1 3.96Å; F182-F214 HydrophobicContact CD2-CE1 3.96Å; F182-F214 HydrophobicContact CD2-CG 4.15Å; F182-F214 HydrophobicContact CE2-CB 3.76Å; F182-F214 AromaticContact CE2-CD1 3.46Å; F182-F214 HydrophobicContact CE2-CD1 3.46Å; F182-F214 VanDerWaalsContact CE2-CD1 3.46Å; F182-F214 AromaticContact CE2-CD2 3.75Å; F182-F214 HydrophobicContact CE2-CD2 3.75Å; F182-F214 AromaticContact CE2-CE1 3.93Å; F182-F214 HydrophobicContact CE2-CE1 3.93Å; F182-F214 HydrophobicContact CE2-CE2 4.19Å; F182-F214 AromaticContact CE2-CG 3.37Å; F182-F214 HydrophobicContact CE2-CG 3.37Å; F182-F214 HydrophobicContact CE2-CZ 4.29Å; F182-F214 HydrophobicContact CZ-CB 3.82Å; F182-F214 HydrophobicContact CZ-CD1 4.33Å; F182-F214 HydrophobicContact CZ-CD2 4.42Å; F182-F214 AromaticContact CZ-CG 3.96Å; F182-F214 HydrophobicContact CZ-CG 3.96Å; F182-G219 VanDerWaalsContact CD1-CA 3.49Å |
| 183 | S | 97.1 | Very high | 91.2 | Very high | 72 Ų | 72 | 49.6 Ų | 49.6 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 106 | 177.9 | -172.1 | 0 | 0 | 0 | 0 | 110.8 | ||
| 184 | A | 97.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | trans | -86.3 | -40.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G165 V167 F182 L189 T203 R212 F214 | G165-A184 PolarHBondContact O-N 2.81Å; V167-A184 HydrophobicContact CG2-CB 3.69Å; F182-A184 HydrophobicContact CD2-CB 4.45Å; F182-A184 HydrophobicContact CE2-CB 4.25Å; F182-A184 PolarHBondContact O-N 3.08Å; A184-L189 HydrophobicContact CB-CD2 4.4Å; A184-T203 HydrophobicContact CB-CG2 4.31Å; A184-R212 VanDerWaalsContact O-CD 3.24Å; A184-R212 WeakPolarHBondContact O-CD 3.42Å; A184-R212 PolarHBondContact O-NH1 3.49Å; A184-F214 HydrophobicContact CB-CE2 3.71Å; A184-F214 HydrophobicContact CB-CZ 3.75Å | ||
| 185 | H | 97.2 | Very high | 91.9 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | trans | -143.4 | 166.4 | -178.4 | -64.9 | -88.6 | 0 | 0 | 0 | 111.5 | G165 L189 T203 R212 | G165-H185 CarbonylContact C-O 3.58Å; G165-H185 VanDerWaalsContact CA-O 3.29Å; G165-H185 WeakPolarHBondContact CA-O 3.4Å; G165-H185 PolarHBondContact O-N 2.86Å; H185-L189 HydrophobicContact CB-CD2 4.11Å; H185-T203 PolarHBondContact CD2-OG1 2.7Å; H185-T203 PolarHBondContact NE2-O 3Å; H185-T203 PolarHBondContact NE2-OG1 2.93Å; H185-R212 PolarHBondContact ND1-NH1 2.95Å; H185-R212 VanDerWaalsContact ND1-NH1 3.13Å | ||
| 186 | T | 96 | Very high | 92.2 | Very high | 114 Ų | 114 | 44.5 Ų | 44.5 | 70% | 0.699 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -93.2 | -3.1 | 176.6 | 69.5 | 0 | 0 | 0 | 0 | 113.1 | K207 | T186-K207 PolarHBondContact OG1-NZ 3.2Š|
| 187 | S | 96.1 | Very high | 92.7 | Very high | 15 Ų | 15 | 40 Ų | 40 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -128.4 | 162.9 | -179.4 | 65.4 | 0 | 0 | 0 | 0 | 108.8 | G165 S205 | G165-S187 VanDerWaalsContact CA-O 3.24Å; G165-S187 WeakPolarHBondContact CA-O 3.35Å; S187-S205 WeakPolarHBondContact OG-CB 3.27Å; S187-S205 PolarHBondContact OG-OG 3.24Å |
| 188 | P | 95.9 | Very high | 93.8 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 35% | 0.351 | 22% | 0.217 | S | C | . | . | trans | -53.3 | 146.2 | -178.8 | -25.1 | 33.9 | 0 | 0 | 0 | 112.7 | V164 S205 E206 | V164-P188 HydrophobicContact CG1-CG 3.87Å; P188-S205 CarbonylContact O-C 3.6Å; P188-S205 WeakPolarHBondContact O-CA 3.1Å; P188-S205 VanDerWaalsContact O-CB 3.27Å; P188-S205 WeakPolarHBondContact O-CB 3.47Å; P188-E206 HydrophobicContact CB-CG 4.15Å; P188-E206 WeakPolarHBondContact CG-OE2 3.26Å; P188-E206 PolarHBondContact O-N 2.76Å | ||
| 189 | L | 97.2 | Very high | 94.5 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 10% | 0.099 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 144.2 | -177.8 | -59.5 | 178.6 | 0 | 0 | 0 | 110.8 | L145 V167 A184 H185 L192 A204 | L145-L189 HydrophobicContact CD2-CB 3.64Å; V167-L189 HydrophobicContact CG2-CD1 3.44Å; V167-L189 VanDerWaalsContact CG2-CD1 3.44Å; A184-L189 HydrophobicContact CB-CD2 4.4Å; H185-L189 HydrophobicContact CB-CD2 4.11Å; L189-L192 HydrophobicContact CB-CD1 4.48Å; L189-L192 HydrophobicContact CD1-CD1 3.6Å; L189-L192 HydrophobicContact CD1-CG 4.33Å; L189-A204 WeakPolarHBondContact CA-O 3.3Å |
| 190 | T | 94.8 | Very high | 94.9 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 9% | 0.092 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | -29.4 | 178.7 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | A204 S205 E206 L233 | T190-A204 PolarHBondContact N-O 3.02Å; T190-A204 PolarHBondContact OG1-O 2.99Å; T190-S205 VanDerWaalsContact OG1-C 3.27Å; T190-S205 PolarHBondContact OG1-N 2.82Å; T190-S205 PolarHBondContact OG1-O 3.24Å; T190-S205 VanDerWaalsContact OG1-O 3.07Å; T190-E206 HydrophobicContact CG2-CB 4.19Å; T190-E206 HydrophobicContact CG2-CG 3.52Å; T190-L233 HydrophobicContact CG2-CD1 3.75Å |
| 191 | C | 95.8 | Very high | 95.1 | Very high | 8 Ų | 8 | 33.5 Ų | 33.5 | 5% | 0.054 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 146.7 | 176.2 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | T203 A204 I234 V237 | C191-T203 VanDerWaalsContact O-CA 3.3Å; C191-T203 WeakPolarHBondContact O-CA 3.48Å; C191-A204 HydrophobicContact CB-CB 4.03Å; C191-A204 PolarHBondContact N-O 3.16Å; C191-A204 PolarHBondContact O-N 2.91Å; C191-I234 PolarHBondContact SG-O 3.14Å; C191-V237 HydrophobicContact CB-CB 4.39Å; C191-V237 HydrophobicContact CB-CG2 3.93Å |
| 192 | L | 95.8 | Very high | 95.2 | Very high | 9 Ų | 9 | 29.5 Ų | 29.5 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 119.8 | 177.3 | -98 | 154.6 | 0 | 0 | 0 | 106.1 | L145 H147 A158 P160 V167 L189 L201 A202 T203 | L145-L192 HydrophobicContact CD1-CB 4.14Å; L145-L192 HydrophobicContact CD2-CB 4.4Å; L145-L192 HydrophobicContact CD2-CD1 3.81Å; L145-L192 HydrophobicContact CD2-CG 4.4Å; L145-L192 HydrophobicContact CG-CB 4.2Å; L145-L192 HydrophobicContact CG-CD1 4.02Å; H147-L192 WeakPolarHBondContact CB-O 3.18Å; A158-L192 HydrophobicContact CB-CD2 4.3Å; P160-L192 HydrophobicContact CG-CD1 4.3Å; V167-L192 HydrophobicContact CB-CD2 4.34Å; V167-L192 HydrophobicContact CG1-CD1 4.35Å; V167-L192 HydrophobicContact CG1-CD2 3.5Å; V167-L192 VanDerWaalsContact CG1-CD2 3.5Å; V167-L192 HydrophobicContact CG2-CD1 4.33Å; V167-L192 HydrophobicContact CG2-CD2 3.82Å; V167-L192 HydrophobicContact CG2-CG 4.47Å; L189-L192 HydrophobicContact CB-CD1 4.48Å; L189-L192 HydrophobicContact CD1-CD1 3.6Å; L189-L192 HydrophobicContact CD1-CG 4.33Å; L192-L201 HydrophobicContact CD2-CD1 3.89Å; L192-L201 HydrophobicContact CD2-CD2 3.49Å; L192-L201 VanDerWaalsContact CD2-CD2 3.49Å; L192-L201 HydrophobicContact CD2-CG 3.86Å; L192-A202 WeakPolarHBondContact CA-O 3.38Å; L192-T203 HydrophobicContact CD2-CG2 3.55Å; L192-T203 HydrophobicContact CG-CG2 4.1Å |
| 193 | T | 96.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 28.4 Ų | 28.4 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 135.7 | 177.9 | -169.6 | 0 | 0 | 0 | 0 | 109.8 | H147 L201 A202 V237 F239 | H147-T193 PolarHBondContact CE1-OG1 3.5Å; T193-L201 WeakPolarHBondContact O-CA 3.4Å; T193-L201 WeakPolarHBondContact O-CD1 3.2Å; T193-A202 HydrophobicContact CG2-CB 3.9Å; T193-A202 PolarHBondContact N-O 3.3Å; T193-A202 PolarHBondContact O-N 2.88Å; T193-V237 HydrophobicContact CG2-CB 4.15Å; T193-V237 HydrophobicContact CG2-CG1 4.01Å; T193-V237 VanDerWaalsContact CG2-O 3.3Å; T193-V237 WeakPolarHBondContact CG2-O 3.5Å; T193-F239 HydrophobicContact CG2-CD2 3.97Å; T193-F239 HydrophobicContact CG2-CE2 3.92Å |
| 194 | F | 96.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 25 Ų | 25 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 160.7 | 166.7 | -72.4 | -62.6 | 0 | 0 | 0 | 109.7 | H147 L149 L156 A158 V169 L200 L201 T216 F239 | H147-F194 AromaticContact CD2-CD2 3.69Å; H147-F194 PolarHBondContact CD2-N 3.4Å; H147-F194 VanDerWaalsContact CD2-N 3.25Å; H147-F194 PolarHBondContact NE2-N 3.04Å; L149-F194 HydrophobicContact CB-CB 4.25Å; L149-F194 HydrophobicContact CB-CD2 3.7Å; L149-F194 HydrophobicContact CB-CE2 4.46Å; L149-F194 HydrophobicContact CB-CG 4.24Å; L149-F194 HydrophobicContact CD2-CB 4.23Å; L149-F194 HydrophobicContact CD2-CG 4.48Å; L156-F194 HydrophobicContact CB-CD2 4.25Å; L156-F194 HydrophobicContact CB-CE1 4.37Å; L156-F194 HydrophobicContact CB-CE2 3.63Å; L156-F194 HydrophobicContact CB-CZ 3.69Å; L156-F194 HydrophobicContact CD1-CE1 4.15Å; L156-F194 HydrophobicContact CD1-CZ 4.26Å; A158-F194 HydrophobicContact CB-CD2 4.45Å; A158-F194 HydrophobicContact CB-CE1 4.39Å; A158-F194 HydrophobicContact CB-CE2 3.51Å; A158-F194 HydrophobicContact CB-CZ 3.47Å; A158-F194 VanDerWaalsContact CB-CZ 3.47Å; V169-F194 HydrophobicContact CG1-CE1 4.26Å; V169-F194 HydrophobicContact CG1-CZ 3.79Å; V169-F194 HydrophobicContact CG2-CE1 4.42Å; V169-F194 HydrophobicContact CG2-CZ 4.15Å; F194-L200 WeakPolarHBondContact CA-O 3.46Å; F194-L201 HydrophobicContact CD1-CB 4.03Å; F194-L201 HydrophobicContact CD1-CD1 3.45Å; F194-L201 VanDerWaalsContact CD1-CD1 3.45Å; F194-L201 HydrophobicContact CD1-CG 4.31Å; F194-L201 HydrophobicContact CD2-CD1 4.34Å; F194-L201 HydrophobicContact CE1-CB 4.02Å; F194-L201 HydrophobicContact CE1-CD1 3.49Å; F194-L201 VanDerWaalsContact CE1-CD1 3.49Å; F194-L201 HydrophobicContact CE1-CD2 4.4Å; F194-L201 HydrophobicContact CE1-CG 4.18Å; F194-L201 HydrophobicContact CE2-CD1 4.35Å; F194-L201 HydrophobicContact CG-CD1 3.88Å; F194-L201 HydrophobicContact CZ-CD1 3.96Å; F194-T216 HydrophobicContact CD1-CG2 3.82Å; F194-T216 HydrophobicContact CE1-CG2 3.51Å; F194-F239 WeakPolarHBondContact O-CD2 3.5Å |
| 195 | N | 92.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.011 | 15% | 0.146 | C | C | . | . | trans | -83.8 | 176.8 | 156.9 | 72.1 | -28.5 | 0 | 0 | 0 | 110.7 | D197 G198 S199 L200 F239 S243 | N195-D197 PolarHBondContact ND2-OD1 3.34Å; N195-D197 PolarHBondContact O-N 3.08Å; N195-D197 PolarHBondContact OD1-OD1 3.02Å; N195-D197 VanDerWaalsContact OD1-OD1 3.07Å; N195-G198 PolarHBondContact O-N 3.3Å; N195-G198 WeakPolarHBondContact OD1-CA 3.31Å; N195-G198 PolarHBondContact OD1-N 3.13Å; N195-S199 PolarHBondContact ND2-OG 3.08Å; N195-S199 PolarHBondContact OD1-N 2.96Å; N195-L200 HydrophobicContact CB-CB 4.34Å; N195-L200 PolarHBondContact N-O 2.96Å; N195-L200 PolarHBondContact OD1-N 3.49Å; N195-L200 PolarHBondContact OD1-O 3.05Å; N195-L200 VanDerWaalsContact OD1-O 3.1Å; N195-F239 HydrophobicContact CB-CB 4.11Å; N195-F239 HydrophobicContact CB-CD1 3.83Å; N195-F239 HydrophobicContact CB-CD2 3.83Å; N195-F239 HydrophobicContact CB-CE1 4.09Å; N195-F239 HydrophobicContact CB-CE2 4.12Å; N195-F239 HydrophobicContact CB-CG 3.67Å; N195-F239 HydrophobicContact CB-CZ 4.24Å; N195-S243 WeakPolarHBondContact CB-OG 3.44Å; N195-S243 PolarHBondContact ND2-OG 2.9Å | ||
| 196 | M | 88 | Confident | 95.1 | Very high | 93 Ų | 93 | 29.5 Ų | 29.5 | 46% | 0.458 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -33.3 | -168.6 | -69.3 | -59.9 | -66.3 | 0 | 0 | 114.5 | T151 | T151-M196 WeakPolarHBondContact CG2-O 3.35Š|
| 197 | D | 89.4 | Confident | 95.1 | Very high | 96 Ų | 96 | 29.3 Ų | 29.3 | 51% | 0.513 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -6.5 | 178.2 | 69.4 | -5.2 | 0 | 0 | 0 | 113.2 | N195 S199 | N195-D197 PolarHBondContact ND2-OD1 3.34Å; N195-D197 PolarHBondContact O-N 3.08Å; N195-D197 PolarHBondContact OD1-OD1 3.02Å; N195-D197 VanDerWaalsContact OD1-OD1 3.07Å; D197-S199 VanDerWaalsContact C-N 3.29Å; D197-S199 PolarHBondContact O-N 2.98Å; D197-S199 WeakPolarHBondContact OD1-CB 3.38Å; D197-S199 PolarHBondContact OD1-N 3.37Å; D197-S199 PolarHBondContact OD1-OG 3.01Å; D197-S199 PolarHBondContact OD2-OG 2.83Å |
| 198 | G | 91.9 | Very high | 95 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 75.6 | 10.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L156 N195 L200 T216 | L156-G198 WeakPolarHBondContact CD1-O 3.23Å; N195-G198 PolarHBondContact O-N 3.3Å; N195-G198 WeakPolarHBondContact OD1-CA 3.31Å; N195-G198 PolarHBondContact OD1-N 3.13Å; G198-L200 VanDerWaalsContact C-N 3.35Å; G198-T216 VanDerWaalsContact O-CB 3.25Å; G198-T216 WeakPolarHBondContact O-CB 3.5Å; G198-T216 WeakPolarHBondContact O-CG2 3.48Å; G198-T216 PolarHBondContact O-OG1 3.12Å |
| 199 | S | 92.8 | Very high | 94.9 | Very high | 46 Ų | 46 | 27.2 Ų | 27.2 | 32% | 0.322 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -75.6 | -23.4 | 178.4 | 65.4 | 0 | 0 | 0 | 0 | 113.7 | N195 D197 S215 T216 | N195-S199 PolarHBondContact ND2-OG 3.08Å; N195-S199 PolarHBondContact OD1-N 2.96Å; D197-S199 VanDerWaalsContact C-N 3.29Å; D197-S199 PolarHBondContact O-N 2.98Å; D197-S199 WeakPolarHBondContact OD1-CB 3.38Å; D197-S199 PolarHBondContact OD1-N 3.37Å; D197-S199 PolarHBondContact OD1-OG 3.01Å; D197-S199 PolarHBondContact OD2-OG 2.83Å; S199-S215 WeakPolarHBondContact O-CA 3.15Å; S199-T216 VanDerWaalsContact C-OG1 3.22Å; S199-T216 WeakPolarHBondContact CA-OG1 3.34Å; S199-T216 PolarHBondContact O-N 3.43Å; S199-T216 PolarHBondContact O-OG1 3.43Å; S199-T216 VanDerWaalsContact O-OG1 3.07Å |
| 200 | L | 95.9 | Very high | 94.9 | Very high | 29 Ų | 29 | 27.4 Ų | 27.4 | 15% | 0.152 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 141.9 | -175.9 | -61.2 | 176.3 | 0 | 0 | 0 | 111.5 | F194 N195 G198 V213 F214 V222 F239 L260 | F194-L200 WeakPolarHBondContact CA-O 3.46Å; N195-L200 HydrophobicContact CB-CB 4.34Å; N195-L200 PolarHBondContact N-O 2.96Å; N195-L200 PolarHBondContact OD1-N 3.49Å; N195-L200 PolarHBondContact OD1-O 3.05Å; N195-L200 VanDerWaalsContact OD1-O 3.1Å; G198-L200 VanDerWaalsContact C-N 3.35Å; L200-V213 HydrophobicContact CB-CG1 3.95Å; L200-V213 HydrophobicContact CD1-CG1 4.23Å; L200-V213 HydrophobicContact CD2-CG1 4.08Å; L200-V213 HydrophobicContact CG-CG1 4.32Å; L200-F214 CarbonylContact C-O 3.47Å; L200-F214 VanDerWaalsContact CA-O 3.31Å; L200-F214 WeakPolarHBondContact CA-O 3.43Å; L200-V222 HydrophobicContact CD2-CG2 4.21Å; L200-F239 HydrophobicContact CB-CE1 4.13Å; L200-F239 HydrophobicContact CB-CZ 3.95Å; L200-F239 HydrophobicContact CD1-CE1 4.12Å; L200-L260 HydrophobicContact CD1-CD1 4.45Å |
| 201 | L | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 119.7 | 172.7 | -174.5 | 73.5 | 0 | 0 | 0 | 110 | A158 V167 V169 F182 L192 T193 F194 T203 V213 F214 T216 | A158-L201 HydrophobicContact CB-CD1 3.94Å; A158-L201 HydrophobicContact CB-CD2 4.29Å; V167-L201 HydrophobicContact CG1-CD2 3.68Å; V169-L201 HydrophobicContact CG2-CD2 3.86Å; F182-L201 HydrophobicContact CZ-CD2 4.02Å; L192-L201 HydrophobicContact CD2-CD1 3.89Å; L192-L201 HydrophobicContact CD2-CD2 3.49Å; L192-L201 VanDerWaalsContact CD2-CD2 3.49Å; L192-L201 HydrophobicContact CD2-CG 3.86Å; T193-L201 WeakPolarHBondContact O-CA 3.4Å; T193-L201 WeakPolarHBondContact O-CD1 3.2Å; F194-L201 HydrophobicContact CD1-CB 4.03Å; F194-L201 HydrophobicContact CD1-CD1 3.45Å; F194-L201 VanDerWaalsContact CD1-CD1 3.45Å; F194-L201 HydrophobicContact CD1-CG 4.31Å; F194-L201 HydrophobicContact CD2-CD1 4.34Å; F194-L201 HydrophobicContact CE1-CB 4.02Å; F194-L201 HydrophobicContact CE1-CD1 3.49Å; F194-L201 VanDerWaalsContact CE1-CD1 3.49Å; F194-L201 HydrophobicContact CE1-CD2 4.4Å; F194-L201 HydrophobicContact CE1-CG 4.18Å; F194-L201 HydrophobicContact CE2-CD1 4.35Å; F194-L201 HydrophobicContact CG-CD1 3.88Å; F194-L201 HydrophobicContact CZ-CD1 3.96Å; L201-T203 HydrophobicContact CD2-CG2 4.25Å; L201-T203 HydrophobicContact CG-CG2 4.19Å; L201-V213 CarbonylContact O-C 3.58Å; L201-V213 WeakPolarHBondContact O-CA 3.44Å; L201-F214 PolarHBondContact N-O 3.21Å; L201-F214 PolarHBondContact O-N 2.97Å; L201-T216 HydrophobicContact CB-CG2 3.89Å |
| 202 | A | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 137.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L192 T193 R212 V213 V237 F239 I246 | L192-A202 WeakPolarHBondContact CA-O 3.38Å; T193-A202 HydrophobicContact CG2-CB 3.9Å; T193-A202 PolarHBondContact N-O 3.3Å; T193-A202 PolarHBondContact O-N 2.88Å; A202-R212 CarbonylContact C-O 3.55Å; A202-R212 VanDerWaalsContact CA-O 3.3Å; A202-R212 WeakPolarHBondContact CA-O 3.18Å; A202-V213 HydrophobicContact CB-CG2 4.33Å; A202-V237 HydrophobicContact CB-CG1 3.89Å; A202-F239 HydrophobicContact CB-CE2 3.46Å; A202-F239 VanDerWaalsContact CB-CE2 3.46Å; A202-F239 HydrophobicContact CB-CZ 3.64Å; A202-I246 HydrophobicContact CB-CD1 4Å |
| 203 | T | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.8 | -177.5 | 69.6 | 0 | 0 | 0 | 0 | 112.1 | V167 A184 H185 C191 L192 L201 I211 R212 F214 | V167-T203 HydrophobicContact CG2-CG2 4.06Å; A184-T203 HydrophobicContact CB-CG2 4.31Å; H185-T203 PolarHBondContact CD2-OG1 2.7Å; H185-T203 PolarHBondContact NE2-O 3Å; H185-T203 PolarHBondContact NE2-OG1 2.93Å; C191-T203 VanDerWaalsContact O-CA 3.3Å; C191-T203 WeakPolarHBondContact O-CA 3.48Å; L192-T203 HydrophobicContact CD2-CG2 3.55Å; L192-T203 HydrophobicContact CG-CG2 4.1Å; L201-T203 HydrophobicContact CD2-CG2 4.25Å; L201-T203 HydrophobicContact CG-CG2 4.19Å; T203-I211 WeakPolarHBondContact O-CA 3.47Å; T203-R212 PolarHBondContact N-O 2.88Å; T203-R212 PolarHBondContact O-N 2.95Å; T203-F214 HydrophobicContact CG2-CD2 4.27Å; T203-F214 HydrophobicContact CG2-CE2 4.37Å; T203-F214 WeakPolarHBondContact OG1-CE2 3.36Å |
| 204 | A | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 159.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L189 T190 C191 I234 | L189-A204 WeakPolarHBondContact CA-O 3.3Å; T190-A204 PolarHBondContact N-O 3.02Å; T190-A204 PolarHBondContact OG1-O 2.99Å; C191-A204 HydrophobicContact CB-CB 4.03Å; C191-A204 PolarHBondContact N-O 3.16Å; C191-A204 PolarHBondContact O-N 2.91Å; A204-I234 HydrophobicContact CB-CB 4.13Å; A204-I234 HydrophobicContact CB-CD1 3.69Å; A204-I234 HydrophobicContact CB-CG1 4.45Å; A204-I234 HydrophobicContact CB-CG2 4.22Å |
| 205 | S | 96.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 175.5 | 179.4 | 82 | 0 | 0 | 0 | 0 | 112.5 | S187 P188 T190 K207 G208 | S187-S205 WeakPolarHBondContact OG-CB 3.27Å; S187-S205 PolarHBondContact OG-OG 3.24Å; P188-S205 CarbonylContact O-C 3.6Å; P188-S205 WeakPolarHBondContact O-CA 3.1Å; P188-S205 VanDerWaalsContact O-CB 3.27Å; P188-S205 WeakPolarHBondContact O-CB 3.47Å; T190-S205 VanDerWaalsContact OG1-C 3.27Å; T190-S205 PolarHBondContact OG1-N 2.82Å; T190-S205 PolarHBondContact OG1-O 3.24Å; T190-S205 VanDerWaalsContact OG1-O 3.07Å; S205-K207 PolarHBondContact O-N 3.43Å; S205-K207 PolarHBondContact OG-N 2.68Å; S205-G208 VanDerWaalsContact O-CA 3.28Å; S205-G208 WeakPolarHBondContact O-CA 3.14Å; S205-G208 PolarHBondContact O-N 3.13Å |
| 206 | E | 94.7 | Very high | 95.2 | Very high | 99 Ų | 99 | 30.1 Ų | 30.1 | 46% | 0.463 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26.8 | 176.6 | -70.5 | -175.2 | 152.1 | 0 | 0 | 113.7 | P188 T190 G208 | P188-E206 HydrophobicContact CB-CG 4.15Å; P188-E206 WeakPolarHBondContact CG-OE2 3.26Å; P188-E206 PolarHBondContact O-N 2.76Å; T190-E206 HydrophobicContact CG2-CB 4.19Å; T190-E206 HydrophobicContact CG2-CG 3.52Å; E206-G208 PolarHBondContact O-N 3.02Å |
| 207 | K | 95 | Very high | 95.3 | Very high | 111 Ų | 111 | 29 Ų | 29 | 48% | 0.483 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -36.7 | 169.6 | -69.7 | -177.1 | 178.2 | 179.9 | 0 | 110.9 | T186 S205 T209 P231 | T186-K207 PolarHBondContact OG1-NZ 3.2Å; S205-K207 PolarHBondContact O-N 3.43Å; S205-K207 PolarHBondContact OG-N 2.68Å; K207-T209 PolarHBondContact O-N 2.91Å; K207-P231 VanDerWaalsContact O-CA 3.28Å; K207-P231 WeakPolarHBondContact O-CA 3.5Å; K207-P231 WeakPolarHBondContact O-CB 3.32Å |
| 208 | G | 93.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | 57.2 | 19.9 | 172 | 0 | 0 | 0 | 0 | 0 | 116.5 | S205 E206 R227 A232 | S205-G208 VanDerWaalsContact O-CA 3.28Å; S205-G208 WeakPolarHBondContact O-CA 3.14Å; S205-G208 PolarHBondContact O-N 3.13Å; E206-G208 PolarHBondContact O-N 3.02Å; G208-R227 PolarHBondContact O-NE 2.9Å; G208-R227 PolarHBondContact O-NH2 3.05Å; G208-A232 VanDerWaalsContact CA-O 3.25Å; G208-A232 WeakPolarHBondContact CA-O 3.47Å | ||
| 209 | T | 94.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 32.1 Ų | 32.1 | 15% | 0.153 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -86.9 | -32.1 | 174.9 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | K207 R227 G228 T229 | K207-T209 PolarHBondContact O-N 2.91Å; T209-R227 PolarHBondContact O-N 3.23Å; T209-G228 WeakPolarHBondContact CB-O 3.42Å; T209-T229 WeakPolarHBondContact CG2-O 3.42Å |
| 210 | L | 96 | Very high | 95.5 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 12% | 0.115 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 139.1 | -176.2 | -64.1 | 174.3 | 0 | 0 | 0 | 110.7 | E224 L225 R226 A282 | L210-E224 HydrophobicContact CD1-CG 4.27Å; L210-E224 HydrophobicContact CD2-CG 4.04Å; L210-L225 CarbonylContact C-O 3.05Å; L210-L225 WeakPolarHBondContact CA-O 3.4Å; L210-R226 HydrophobicContact CD2-CB 4.07Å; L210-R226 HydrophobicContact CD2-CG 4.25Å; L210-A282 HydrophobicContact CD2-CB 3.9Å |
| 211 | I | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 129.5 | 164.6 | -60.1 | 140.9 | 0 | 0 | 0 | 105.6 | T203 L225 R227 I234 V237 A248 F258 | T203-I211 WeakPolarHBondContact O-CA 3.47Å; I211-L225 HydrophobicContact CB-CB 4.22Å; I211-L225 HydrophobicContact CG2-CD1 4.45Å; I211-L225 PolarHBondContact N-O 3.06Å; I211-L225 WeakPolarHBondContact O-CA 3.45Å; I211-L225 WeakPolarHBondContact O-CB 3.46Å; I211-L225 PolarHBondContact O-N 3.27Å; I211-R227 HydrophobicContact CD1-CB 4.29Å; I211-I234 HydrophobicContact CD1-CD1 4.23Å; I211-I234 HydrophobicContact CG1-CD1 3.74Å; I211-V237 HydrophobicContact CG2-CG1 4.26Å; I211-V237 HydrophobicContact CG2-CG2 4.49Å; I211-A248 HydrophobicContact CD1-CB 3.36Å; I211-A248 HydrophobicContact CG1-CB 4.34Å; I211-F258 HydrophobicContact CD1-CD2 4.34Å; I211-F258 HydrophobicContact CD1-CE2 3.52Å; I211-F258 HydrophobicContact CD1-CZ 3.95Å |
| 212 | R | 97.6 | Very high | 95.3 | Very high | 44 Ų | 44 | 39.2 Ų | 39.2 | 17% | 0.166 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 144.3 | 179.7 | -72.5 | 178.1 | 175.6 | 134.8 | 4.7 | 109.5 | A184 H185 A202 T203 F214 K221 H223 E224 | A184-R212 VanDerWaalsContact O-CD 3.24Å; A184-R212 WeakPolarHBondContact O-CD 3.42Å; A184-R212 PolarHBondContact O-NH1 3.49Å; H185-R212 PolarHBondContact ND1-NH1 2.95Å; H185-R212 VanDerWaalsContact ND1-NH1 3.13Å; A202-R212 CarbonylContact C-O 3.55Å; A202-R212 VanDerWaalsContact CA-O 3.3Å; A202-R212 WeakPolarHBondContact CA-O 3.18Å; T203-R212 PolarHBondContact N-O 2.88Å; T203-R212 PolarHBondContact O-N 2.95Å; R212-F214 HydrophobicContact CB-CD2 4.23Å; R212-F214 HydrophobicContact CB-CE2 3.35Å; R212-F214 HydrophobicContact CB-CZ 3.78Å; R212-F214 HydrophobicContact CG-CE2 4.45Å; R212-F214 HydrophobicContact CG-CZ 4.47Å; R212-K221 HydrophobicContact CG-CD 4.13Å; R212-H223 WeakPolarHBondContact CA-O 3.35Å; R212-E224 HydrophobicContact CG-CG 4.1Å; R212-E224 IonicContact CZ-OE2 3.44Å; R212-E224 IonicContact NE-OE2 2.62Å; R212-E224 PolarHBondContact NE-OE2 2.79Å; R212-E224 IonicContact NH2-OE2 3.55Å; R212-E224 PolarHBondContact NH2-OE2 3.35Å |
| 213 | V | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129.4 | 176.9 | -172.3 | 0 | 0 | 0 | 0 | 107.9 | L200 L201 A202 V222 H223 L225 F239 I246 L260 | L200-V213 HydrophobicContact CB-CG1 3.95Å; L200-V213 HydrophobicContact CD1-CG1 4.23Å; L200-V213 HydrophobicContact CD2-CG1 4.08Å; L200-V213 HydrophobicContact CG-CG1 4.32Å; L201-V213 CarbonylContact O-C 3.58Å; L201-V213 WeakPolarHBondContact O-CA 3.44Å; A202-V213 HydrophobicContact CB-CG2 4.33Å; V213-V222 PolarHBondContact O-N 3.4Å; V213-H223 HydrophobicContact CB-CB 3.97Å; V213-H223 HydrophobicContact CG2-CB 4.09Å; V213-H223 PolarHBondContact N-O 2.87Å; V213-H223 PolarHBondContact O-N 3.41Å; V213-H223 VanDerWaalsContact O-N 3.08Å; V213-L225 HydrophobicContact CG2-CD1 4.12Å; V213-F239 HydrophobicContact CG1-CE1 4.34Å; V213-F239 HydrophobicContact CG1-CZ 4.03Å; V213-I246 HydrophobicContact CG2-CD1 3.46Å; V213-I246 VanDerWaalsContact CG2-CD1 3.46Å; V213-L260 HydrophobicContact CG2-CD2 4.23Å |
| 214 | F | 97.9 | Very high | 94.9 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.1 | -177.1 | -62.6 | -95.5 | 0 | 0 | 0 | 110.2 | F182 A184 L200 L201 T203 R212 G219 A220 K221 | F182-F214 AromaticContact CD2-CD1 3.75Å; F182-F214 HydrophobicContact CD2-CD1 3.75Å; F182-F214 AromaticContact CD2-CE1 3.96Å; F182-F214 HydrophobicContact CD2-CE1 3.96Å; F182-F214 HydrophobicContact CD2-CG 4.15Å; F182-F214 HydrophobicContact CE2-CB 3.76Å; F182-F214 AromaticContact CE2-CD1 3.46Å; F182-F214 HydrophobicContact CE2-CD1 3.46Å; F182-F214 VanDerWaalsContact CE2-CD1 3.46Å; F182-F214 AromaticContact CE2-CD2 3.75Å; F182-F214 HydrophobicContact CE2-CD2 3.75Å; F182-F214 AromaticContact CE2-CE1 3.93Å; F182-F214 HydrophobicContact CE2-CE1 3.93Å; F182-F214 HydrophobicContact CE2-CE2 4.19Å; F182-F214 AromaticContact CE2-CG 3.37Å; F182-F214 HydrophobicContact CE2-CG 3.37Å; F182-F214 HydrophobicContact CE2-CZ 4.29Å; F182-F214 HydrophobicContact CZ-CB 3.82Å; F182-F214 HydrophobicContact CZ-CD1 4.33Å; F182-F214 HydrophobicContact CZ-CD2 4.42Å; F182-F214 AromaticContact CZ-CG 3.96Å; F182-F214 HydrophobicContact CZ-CG 3.96Å; A184-F214 HydrophobicContact CB-CE2 3.71Å; A184-F214 HydrophobicContact CB-CZ 3.75Å; L200-F214 CarbonylContact C-O 3.47Å; L200-F214 VanDerWaalsContact CA-O 3.31Å; L200-F214 WeakPolarHBondContact CA-O 3.43Å; L201-F214 PolarHBondContact N-O 3.21Å; L201-F214 PolarHBondContact O-N 2.97Å; T203-F214 HydrophobicContact CG2-CD2 4.27Å; T203-F214 HydrophobicContact CG2-CE2 4.37Å; T203-F214 WeakPolarHBondContact OG1-CE2 3.36Å; R212-F214 HydrophobicContact CB-CD2 4.23Å; R212-F214 HydrophobicContact CB-CE2 3.35Å; R212-F214 HydrophobicContact CB-CZ 3.78Å; R212-F214 HydrophobicContact CG-CE2 4.45Å; R212-F214 HydrophobicContact CG-CZ 4.47Å; F214-G219 WeakPolarHBondContact CD1-O 3.49Å; F214-A220 CarbonylContact C-O 3.51Å; F214-A220 VanDerWaalsContact CA-O 3.26Å; F214-A220 WeakPolarHBondContact CA-O 3.46Å; F214-K221 HydrophobicContact CD1-CB 3.86Å; F214-K221 HydrophobicContact CD1-CG 4.41Å; F214-K221 HydrophobicContact CE1-CB 3.63Å; F214-K221 HydrophobicContact CE1-CD 4.43Å; F214-K221 HydrophobicContact CE1-CG 4.02Å; F214-K221 HydrophobicContact CZ-CB 4.37Å; F214-K221 HydrophobicContact CZ-CD 4.41Å; F214-K221 HydrophobicContact CZ-CG 4.27Å |
| 215 | S | 95.5 | Very high | 94.7 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 21% | 0.21 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 129.7 | 166.2 | 173.9 | 0 | 0 | 0 | 0 | 108.6 | S199 A217 G219 A220 | S199-S215 WeakPolarHBondContact O-CA 3.15Å; S215-A217 VanDerWaalsContact C-N 3.3Å; S215-G219 WeakPolarHBondContact O-CA 3.14Å; S215-G219 PolarHBondContact O-N 2.63Å; S215-A220 PolarHBondContact N-O 3.26Å |
| 216 | T | 93.2 | Very high | 94.7 | Very high | 23 Ų | 23 | 46.5 Ų | 46.5 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -16.9 | -178.9 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | L180 F194 G198 S199 L201 | L180-T216 WeakPolarHBondContact CD2-O 3.42Å; F194-T216 HydrophobicContact CD1-CG2 3.82Å; F194-T216 HydrophobicContact CE1-CG2 3.51Å; G198-T216 VanDerWaalsContact O-CB 3.25Å; G198-T216 WeakPolarHBondContact O-CB 3.5Å; G198-T216 WeakPolarHBondContact O-CG2 3.48Å; G198-T216 PolarHBondContact O-OG1 3.12Å; S199-T216 VanDerWaalsContact C-OG1 3.22Å; S199-T216 WeakPolarHBondContact CA-OG1 3.34Å; S199-T216 PolarHBondContact O-N 3.43Å; S199-T216 PolarHBondContact O-OG1 3.43Å; S199-T216 VanDerWaalsContact O-OG1 3.07Å; L201-T216 HydrophobicContact CB-CG2 3.89Å |
| 217 | A | 90.4 | Very high | 94.5 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 56% | 0.562 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -37.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S215 | S215-A217 VanDerWaalsContact C-N 3.3Š|
| 218 | H | 89.2 | Confident | 94.2 | Very high | 155 Ų | 155 | 38.2 Ų | 38.2 | 72% | 0.718 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -135.4 | -2.6 | -172.8 | -55 | -55.6 | 0 | 0 | 0 | 114.5 | A220 | H218-A220 PolarHBondContact O-N 2.8Š|
| 219 | G | 92.8 | Very high | 93.8 | Very high | 10 Ų | 10 | 44 Ų | 44 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | trans | 71.5 | 14.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F182 F214 S215 | F182-G219 VanDerWaalsContact CD1-CA 3.49Å; F214-G219 WeakPolarHBondContact CD1-O 3.49Å; S215-G219 WeakPolarHBondContact O-CA 3.14Å; S215-G219 PolarHBondContact O-N 2.63Å | ||
| 220 | A | 95.2 | Very high | 93.6 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 45% | 0.446 | 27% | 0.267 | S | S | . | . | trans | -75.5 | 133.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.1 | F214 S215 H218 V222 | F214-A220 CarbonylContact C-O 3.51Å; F214-A220 VanDerWaalsContact CA-O 3.26Å; F214-A220 WeakPolarHBondContact CA-O 3.46Å; S215-A220 PolarHBondContact N-O 3.26Å; H218-A220 PolarHBondContact O-N 2.8Å; A220-V222 PolarHBondContact O-N 3Å | ||
| 221 | K | 95.6 | Very high | 93.5 | Very high | 111 Ų | 111 | 51.8 Ų | 51.8 | 48% | 0.483 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 114.5 | 176.6 | -172.8 | 174.4 | 66.4 | 178.6 | 0 | 110.4 | R212 F214 E224 | R212-K221 HydrophobicContact CG-CD 4.13Å; F214-K221 HydrophobicContact CD1-CB 3.86Å; F214-K221 HydrophobicContact CD1-CG 4.41Å; F214-K221 HydrophobicContact CE1-CB 3.63Å; F214-K221 HydrophobicContact CE1-CD 4.43Å; F214-K221 HydrophobicContact CE1-CG 4.02Å; F214-K221 HydrophobicContact CZ-CB 4.37Å; F214-K221 HydrophobicContact CZ-CD 4.41Å; F214-K221 HydrophobicContact CZ-CG 4.27Å; K221-E224 IonicContact NZ-OE2 3.81Å; K221-E224 PolarHBondContact NZ-OE2 3.04Å |
| 222 | V | 93.8 | Very high | 93.2 | Very high | 60 Ų | 60 | 52 Ų | 52 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -44.2 | 178.7 | -173.3 | 0 | 0 | 0 | 0 | 110.9 | L200 V213 A220 | L200-V222 HydrophobicContact CD2-CG2 4.21Å; V213-V222 PolarHBondContact O-N 3.4Å; A220-V222 PolarHBondContact O-N 3Å |
| 223 | H | 93.9 | Very high | 92.9 | Very high | 37 Ų | 37 | 52.3 Ų | 52.3 | 17% | 0.171 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 147.7 | -178.9 | -58.5 | -65.7 | 0 | 0 | 0 | 112.8 | R212 V213 L225 L260 | R212-H223 WeakPolarHBondContact CA-O 3.35Å; V213-H223 HydrophobicContact CB-CB 3.97Å; V213-H223 HydrophobicContact CG2-CB 4.09Å; V213-H223 PolarHBondContact N-O 2.87Å; V213-H223 PolarHBondContact O-N 3.41Å; V213-H223 VanDerWaalsContact O-N 3.08Å; H223-L225 HydrophobicContact CB-CD2 4.27Å; H223-L225 HydrophobicContact CB-CG 4.38Å; H223-L260 HydrophobicContact CB-CD2 4.46Å |
| 224 | E | 94.9 | Very high | 92.8 | Very high | 27 Ų | 27 | 52.4 Ų | 52.4 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.4 | 166.5 | -170.5 | 167.2 | 109.8 | 0 | 0 | 108 | L210 R212 K221 A282 R283 | L210-E224 HydrophobicContact CD1-CG 4.27Å; L210-E224 HydrophobicContact CD2-CG 4.04Å; R212-E224 HydrophobicContact CG-CG 4.1Å; R212-E224 IonicContact CZ-OE2 3.44Å; R212-E224 IonicContact NE-OE2 2.62Å; R212-E224 PolarHBondContact NE-OE2 2.79Å; R212-E224 IonicContact NH2-OE2 3.55Å; R212-E224 PolarHBondContact NH2-OE2 3.35Å; K221-E224 IonicContact NZ-OE2 3.81Å; K221-E224 PolarHBondContact NZ-OE2 3.04Å; E224-A282 HydrophobicContact CB-CB 4.38Å; E224-A282 HydrophobicContact CG-CB 3.93Å; E224-A282 CarbonylContact O-C 3.48Å; E224-A282 WeakPolarHBondContact O-CA 3.37Å; E224-R283 PolarHBondContact O-N 3.13Å |
| 225 | L | 94.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.3 | -170.1 | -55.5 | 174.5 | 0 | 0 | 0 | 108.6 | L210 I211 V213 H223 I246 F258 L260 R283 | L210-L225 CarbonylContact C-O 3.05Å; L210-L225 WeakPolarHBondContact CA-O 3.4Å; I211-L225 HydrophobicContact CB-CB 4.22Å; I211-L225 HydrophobicContact CG2-CD1 4.45Å; I211-L225 PolarHBondContact N-O 3.06Å; I211-L225 WeakPolarHBondContact O-CA 3.45Å; I211-L225 WeakPolarHBondContact O-CB 3.46Å; I211-L225 PolarHBondContact O-N 3.27Å; V213-L225 HydrophobicContact CG2-CD1 4.12Å; H223-L225 HydrophobicContact CB-CD2 4.27Å; H223-L225 HydrophobicContact CB-CG 4.38Å; L225-I246 HydrophobicContact CD1-CD1 4.15Å; L225-F258 HydrophobicContact CB-CD1 3.73Å; L225-F258 HydrophobicContact CB-CE1 3.88Å; L225-F258 HydrophobicContact CB-CG 4.08Å; L225-F258 HydrophobicContact CB-CZ 4.36Å; L225-F258 HydrophobicContact CD1-CB 3.78Å; L225-F258 HydrophobicContact CD1-CD1 4.33Å; L225-F258 HydrophobicContact CD1-CD2 4.28Å; L225-F258 HydrophobicContact CD1-CG 3.89Å; L225-F258 HydrophobicContact CD2-CB 4.17Å; L225-F258 HydrophobicContact CD2-CD1 4.14Å; L225-F258 HydrophobicContact CD2-CG 4.37Å; L225-F258 HydrophobicContact CG-CB 4.43Å; L225-F258 HydrophobicContact CG-CD1 4.29Å; L225-F258 HydrophobicContact CG-CG 4.34Å; L225-L260 HydrophobicContact CD1-CD2 3.94Å; L225-L260 HydrophobicContact CD2-CD2 4.39Å; L225-R283 CarbonylContact C-O 3.53Å; L225-R283 WeakPolarHBondContact CA-O 3.37Å; L225-R283 HydrophobicContact CD2-CB 4.18Å |
| 226 | R | 94.3 | Very high | 92.5 | Very high | 92 Ų | 92 | 53.3 Ų | 53.3 | 35% | 0.347 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 110.9 | -177.1 | -172 | 173.4 | -63.4 | -79 | 0.1 | 110.7 | L210 F258 A282 R283 | L210-R226 HydrophobicContact CD2-CB 4.07Å; L210-R226 HydrophobicContact CD2-CG 4.25Å; R226-F258 WeakPolarHBondContact O-CE1 3.25Å; R226-A282 HydrophobicContact CB-CB 3.85Å; R226-R283 PolarHBondContact N-O 3.45Å |
| 227 | R | 91.8 | Very high | 92.6 | Very high | 17 Ų | 17 | 52.4 Ų | 52.4 | 6% | 0.064 | 29% | 0.294 | C | S | . | . | trans | -71.4 | -44.4 | 173 | -172.3 | -79.9 | -56.7 | 151.3 | 5 | 111.1 | G208 T209 I211 N230 A232 H256 F258 | G208-R227 PolarHBondContact O-NE 2.9Å; G208-R227 PolarHBondContact O-NH2 3.05Å; T209-R227 PolarHBondContact O-N 3.23Å; I211-R227 HydrophobicContact CD1-CB 4.29Å; R227-N230 VanDerWaalsContact CZ-O 3.31Å; R227-N230 PolarHBondContact NH1-O 2.86Å; R227-N230 PolarHBondContact NH2-O 2.81Å; R227-A232 VanDerWaalsContact NH2-CB 3.27Å; R227-A232 VanDerWaalsContact NH2-N 3.19Å; R227-H256 HydrophobicContact CG-CB 4.21Å; R227-H256 PolarHBondContact O-CE1 2.9Å; R227-H256 PolarHBondContact O-ND1 2.97Å; R227-F258 HydrophobicContact CB-CZ 4.2Å | ||
| 228 | G | 87.6 | Confident | 92.8 | Very high | 18 Ų | 18 | 51 Ų | 51 | 19% | 0.186 | 27% | 0.274 | C | S | . | . | trans | -176.5 | 177.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T209 | T209-G228 WeakPolarHBondContact CB-O 3.42Š| ||
| 229 | T | 86.8 | Confident | 92.9 | Very high | 121 Ų | 121 | 44.6 Ų | 44.6 | 74% | 0.742 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -81.3 | -39.5 | 179.6 | -40.3 | 0 | 0 | 0 | 0 | 111.8 | T209 | T209-T229 WeakPolarHBondContact CG2-O 3.42Š|
| 230 | N | 90.3 | Very high | 92.7 | Very high | 117 Ų | 117 | 44.2 Ų | 44.2 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -82.9 | 139.8 | -178.2 | -62.5 | -16.3 | 0 | 0 | 0 | 110.9 | R227 | R227-N230 VanDerWaalsContact CZ-O 3.31Å; R227-N230 PolarHBondContact NH1-O 2.86Å; R227-N230 PolarHBondContact NH2-O 2.81Å |
| 231 | P | 92.8 | Very high | 92.2 | Very high | 94 Ų | 94 | 45 Ų | 45 | 61% | 0.61 | 25% | 0.246 | S | C | * | . | trans | -54.9 | 144.4 | 173.6 | -24.8 | 34.5 | 0 | 0 | 0 | 112.7 | K207 | K207-P231 VanDerWaalsContact O-CA 3.28Å; K207-P231 WeakPolarHBondContact O-CA 3.5Å; K207-P231 WeakPolarHBondContact O-CB 3.32Å | ||
| 232 | A | 91.9 | Very high | 91.7 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 5% | 0.05 | 25% | 0.247 | C | C | . | . | trans | -159.5 | 138 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | G208 R227 I234 | G208-A232 VanDerWaalsContact CA-O 3.25Å; G208-A232 WeakPolarHBondContact CA-O 3.47Å; R227-A232 VanDerWaalsContact NH2-CB 3.27Å; R227-A232 VanDerWaalsContact NH2-N 3.19Å; A232-I234 PolarHBondContact O-N 2.76Å | ||
| 233 | L | 91.7 | Very high | 91.4 | Very high | 49 Ų | 49 | 42.4 Ų | 42.4 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | trans | -64.9 | 129.3 | 177.6 | 179.5 | 62.3 | 0 | 0 | 0 | 109.1 | T190 Y235 S250 S251 | T190-L233 HydrophobicContact CG2-CD1 3.75Å; L233-Y235 HydrophobicContact CD2-CD1 4.09Å; L233-Y235 HydrophobicContact CD2-CE1 3.65Å; L233-Y235 HydrophobicContact CG-CD1 4.24Å; L233-Y235 HydrophobicContact CG-CE1 4.14Å; L233-S250 CarbonylContact O-C 3.19Å; L233-S250 WeakPolarHBondContact O-CA 3.4Å; L233-S251 PolarHBondContact N-OG 3.25Å; L233-S251 PolarHBondContact O-N 3.42Å | ||
| 234 | I | 94.7 | Very high | 91.1 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 117.8 | 173.7 | -62.2 | 174.9 | 0 | 0 | 0 | 106.5 | C191 A204 I211 A232 V237 A248 A249 | C191-I234 PolarHBondContact SG-O 3.14Å; A204-I234 HydrophobicContact CB-CB 4.13Å; A204-I234 HydrophobicContact CB-CD1 3.69Å; A204-I234 HydrophobicContact CB-CG1 4.45Å; A204-I234 HydrophobicContact CB-CG2 4.22Å; I211-I234 HydrophobicContact CD1-CD1 4.23Å; I211-I234 HydrophobicContact CG1-CD1 3.74Å; A232-I234 PolarHBondContact O-N 2.76Å; I234-V237 HydrophobicContact CG2-CG2 3.68Å; I234-A248 HydrophobicContact CG2-CB 4.46Å; I234-A249 CarbonylContact C-O 3.1Å; I234-A249 VanDerWaalsContact CA-O 3.32Å; I234-A249 WeakPolarHBondContact CA-O 3.48Å; I234-A249 WeakPolarHBondContact CG2-O 3.26Å |
| 235 | Y | 92.7 | Very high | 90.8 | Very high | 40 Ų | 40 | 40.6 Ų | 40.6 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -38.6 | -178.2 | -65.6 | -53.8 | 0 | 0 | 0 | 112 | M1 L233 A249 S251 P301 F302 | M1-Y235 HydrophobicContact CE-CD1 3.65Å; M1-Y235 HydrophobicContact CE-CE1 3.97Å; M1-Y235 HydrophobicContact CE-CG 4.37Å; M1-Y235 HydrophobicContact SD-CD1 4.35Å; L233-Y235 HydrophobicContact CD2-CD1 4.09Å; L233-Y235 HydrophobicContact CD2-CE1 3.65Å; L233-Y235 HydrophobicContact CG-CD1 4.24Å; L233-Y235 HydrophobicContact CG-CE1 4.14Å; Y235-A249 PolarHBondContact N-O 2.98Å; Y235-S251 VanDerWaalsContact CE2-CA 3.5Å; Y235-S251 WeakPolarHBondContact OH-CB 3.45Å; Y235-P301 HydrophobicContact CE1-CB 4.3Å; Y235-F302 WeakPolarHBondContact CB-O 3.33Å; Y235-F302 HydrophobicContact CD2-CD1 4.34Å; Y235-F302 HydrophobicContact CD2-CE1 4.31Å; Y235-F302 HydrophobicContact CE2-CD1 4.34Å; Y235-F302 HydrophobicContact CE2-CE1 4.27Å |
| 236 | C | 93.8 | Very high | 90.7 | Very high | 16 Ų | 16 | 40.5 Ų | 40.5 | 11% | 0.108 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 149.2 | -178.1 | -168.5 | 0 | 0 | 0 | 0 | 110.8 | A248 A249 L303 | C236-A248 CarbonylContact O-C 3.55Å; C236-A248 WeakPolarHBondContact O-CA 3.44Å; C236-A249 HydrophobicContact CB-CB 4.49Å; C236-A249 PolarHBondContact O-N 3.49Å; C236-L303 HydrophobicContact CB-CD2 3.71Å |
| 237 | V | 95.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 137.6 | 169.8 | 179.1 | 0 | 0 | 0 | 0 | 106.7 | C191 T193 A202 I211 I234 I246 C247 A248 | C191-V237 HydrophobicContact CB-CB 4.39Å; C191-V237 HydrophobicContact CB-CG2 3.93Å; T193-V237 HydrophobicContact CG2-CB 4.15Å; T193-V237 HydrophobicContact CG2-CG1 4.01Å; T193-V237 VanDerWaalsContact CG2-O 3.3Å; T193-V237 WeakPolarHBondContact CG2-O 3.5Å; A202-V237 HydrophobicContact CB-CG1 3.89Å; I211-V237 HydrophobicContact CG2-CG1 4.26Å; I211-V237 HydrophobicContact CG2-CG2 4.49Å; I234-V237 HydrophobicContact CG2-CG2 3.68Å; V237-I246 HydrophobicContact CG1-CG2 3.49Å; V237-I246 VanDerWaalsContact CG1-CG2 3.49Å; V237-C247 CarbonylContact C-O 3.56Å; V237-C247 VanDerWaalsContact CA-O 3.29Å; V237-C247 WeakPolarHBondContact CA-O 3.46Å; V237-A248 HydrophobicContact CG2-CB 4.12Å |
| 238 | R | 93.9 | Very high | 90.8 | Very high | 39 Ų | 39 | 35.4 Ų | 35.4 | 15% | 0.147 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 145.6 | 175.2 | -70.2 | -64.2 | -171.4 | 126.1 | -1.6 | 111 | S22 I246 C247 C304 A305 | S22-R238 PolarHBondContact OG-NH1 3.05Å; R238-I246 CarbonylContact O-C 3.58Å; R238-I246 VanDerWaalsContact O-CA 3.29Å; R238-I246 WeakPolarHBondContact O-CA 3.27Å; R238-C247 PolarHBondContact N-O 3.46Å; R238-C247 PolarHBondContact O-N 2.71Å; R238-C304 WeakPolarHBondContact CG-O 3.41Å; R238-A305 HydrophobicContact CG-CB 4.21Å |
| 239 | F | 92.7 | Very high | 91.1 | Very high | 20 Ų | 20 | 34.5 Ų | 34.5 | 9% | 0.088 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 153.6 | 166.7 | -69.9 | -97.6 | 0 | 0 | 0 | 109.8 | T193 F194 N195 L200 A202 V213 L245 I246 L260 F306 | T193-F239 HydrophobicContact CG2-CD2 3.97Å; T193-F239 HydrophobicContact CG2-CE2 3.92Å; F194-F239 WeakPolarHBondContact O-CD2 3.5Å; N195-F239 HydrophobicContact CB-CB 4.11Å; N195-F239 HydrophobicContact CB-CD1 3.83Å; N195-F239 HydrophobicContact CB-CD2 3.83Å; N195-F239 HydrophobicContact CB-CE1 4.09Å; N195-F239 HydrophobicContact CB-CE2 4.12Å; N195-F239 HydrophobicContact CB-CG 3.67Å; N195-F239 HydrophobicContact CB-CZ 4.24Å; L200-F239 HydrophobicContact CB-CE1 4.13Å; L200-F239 HydrophobicContact CB-CZ 3.95Å; L200-F239 HydrophobicContact CD1-CE1 4.12Å; A202-F239 HydrophobicContact CB-CE2 3.46Å; A202-F239 VanDerWaalsContact CB-CE2 3.46Å; A202-F239 HydrophobicContact CB-CZ 3.64Å; V213-F239 HydrophobicContact CG1-CE1 4.34Å; V213-F239 HydrophobicContact CG1-CZ 4.03Å; F239-L245 WeakPolarHBondContact CA-O 3.41Å; F239-I246 HydrophobicContact CD1-CD1 3.94Å; F239-I246 HydrophobicContact CD1-CG1 3.57Å; F239-I246 HydrophobicContact CE1-CD1 3.46Å; F239-I246 VanDerWaalsContact CE1-CD1 3.46Å; F239-I246 HydrophobicContact CE1-CG1 3.66Å; F239-I246 HydrophobicContact CE2-CD1 4.28Å; F239-I246 HydrophobicContact CG-CG1 4.08Å; F239-I246 HydrophobicContact CZ-CD1 3.65Å; F239-I246 HydrophobicContact CZ-CG1 4.2Å; F239-L260 HydrophobicContact CD1-CD1 3.99Å; F239-L260 HydrophobicContact CE1-CD1 3.62Å; F239-F306 VanDerWaalsContact C-CD2 3.44Å; F239-F306 WeakPolarHBondContact O-CD2 3.41Å |
| 240 | N | 88.6 | Confident | 91.3 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.011 | 17% | 0.167 | C | C | . | . | trans | -80.2 | 172.5 | 162.5 | 72.4 | -25.6 | 0 | 0 | 0 | 110.4 | D242 S243 S244 L245 F306 D328 | N240-D242 VanDerWaalsContact C-N 3.34Å; N240-D242 PolarHBondContact ND2-OD1 2.82Å; N240-D242 PolarHBondContact O-N 3.25Å; N240-D242 PolarHBondContact OD1-OD1 2.82Å; N240-S243 PolarHBondContact O-N 3.08Å; N240-S243 WeakPolarHBondContact OD1-CA 3.24Å; N240-S243 PolarHBondContact OD1-N 2.81Å; N240-S244 PolarHBondContact OD1-N 2.79Å; N240-L245 HydrophobicContact CB-CB 4.26Å; N240-L245 PolarHBondContact N-O 3.32Å; N240-L245 VanDerWaalsContact N-O 3.09Å; N240-L245 PolarHBondContact OD1-N 3.26Å; N240-L245 PolarHBondContact OD1-O 3.04Å; N240-F306 VanDerWaalsContact CA-CD2 3.47Å; N240-F306 HydrophobicContact CB-CB 4.14Å; N240-F306 HydrophobicContact CB-CD1 3.86Å; N240-F306 HydrophobicContact CB-CD2 3.59Å; N240-F306 HydrophobicContact CB-CE1 4.11Å; N240-F306 HydrophobicContact CB-CE2 3.83Å; N240-F306 HydrophobicContact CB-CG 3.58Å; N240-F306 HydrophobicContact CB-CZ 4.09Å; N240-F306 VanDerWaalsContact N-CD2 3.3Å; N240-D328 PolarHBondContact ND2-OD1 2.87Å | ||
| 241 | A | 84.6 | Confident | 91.4 | Very high | 72 Ų | 72 | 24.5 Ų | 24.5 | 60% | 0.595 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -40.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S243 | A241-S243 VanDerWaalsContact C-N 3.27Å; A241-S243 PolarHBondContact O-N 3.06Å |
| 242 | D | 84.1 | Confident | 91.2 | Very high | 94 Ų | 94 | 23 Ų | 23 | 50% | 0.503 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 5 | 179.6 | 81.1 | -18.7 | 0 | 0 | 0 | 113.7 | N240 S244 | N240-D242 VanDerWaalsContact C-N 3.34Å; N240-D242 PolarHBondContact ND2-OD1 2.82Å; N240-D242 PolarHBondContact O-N 3.25Å; N240-D242 PolarHBondContact OD1-OD1 2.82Å; D242-S244 VanDerWaalsContact CG-OG 3.22Å; D242-S244 PolarHBondContact O-N 3.45Å; D242-S244 VanDerWaalsContact O-N 3.11Å; D242-S244 WeakPolarHBondContact OD1-CB 3.33Å; D242-S244 PolarHBondContact OD1-N 2.92Å; D242-S244 PolarHBondContact OD1-OG 2.77Å; D242-S244 WeakPolarHBondContact OD2-CB 3.42Å; D242-S244 PolarHBondContact OD2-OG 2.91Å |
| 243 | S | 88.6 | Confident | 91 | Very high | 21 Ų | 21 | 22.7 Ų | 22.7 | 15% | 0.147 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 56.6 | 21.1 | -176.5 | -51.3 | 0 | 0 | 0 | 0 | 114.6 | N195 N240 A241 L260 | N195-S243 WeakPolarHBondContact CB-OG 3.44Å; N195-S243 PolarHBondContact ND2-OG 2.9Å; N240-S243 PolarHBondContact O-N 3.08Å; N240-S243 WeakPolarHBondContact OD1-CA 3.24Å; N240-S243 PolarHBondContact OD1-N 2.81Å; A241-S243 VanDerWaalsContact C-N 3.27Å; A241-S243 PolarHBondContact O-N 3.06Å; S243-L260 VanDerWaalsContact O-CD1 3.31Å; S243-L260 WeakPolarHBondContact O-CD1 3Å |
| 244 | S | 86.3 | Confident | 90.9 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 8% | 0.084 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -92.4 | -17.3 | -179.7 | 81.1 | 0 | 0 | 0 | 0 | 114.1 | N240 D242 S259 L260 | N240-S244 PolarHBondContact OD1-N 2.79Å; D242-S244 VanDerWaalsContact CG-OG 3.22Å; D242-S244 PolarHBondContact O-N 3.45Å; D242-S244 VanDerWaalsContact O-N 3.11Å; D242-S244 WeakPolarHBondContact OD1-CB 3.33Å; D242-S244 PolarHBondContact OD1-N 2.92Å; D242-S244 PolarHBondContact OD1-OG 2.77Å; D242-S244 WeakPolarHBondContact OD2-CB 3.42Å; D242-S244 PolarHBondContact OD2-OG 2.91Å; S244-S259 WeakPolarHBondContact O-CA 3.22Å; S244-L260 PolarHBondContact O-N 3.4Å |
| 245 | L | 89.8 | Confident | 90.7 | Very high | 14 Ų | 14 | 20.3 Ų | 20.3 | 7% | 0.073 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 150.1 | 176.3 | -57.5 | 177.6 | 0 | 0 | 0 | 111.4 | F239 N240 V257 F258 F306 D328 | F239-L245 WeakPolarHBondContact CA-O 3.41Å; N240-L245 HydrophobicContact CB-CB 4.26Å; N240-L245 PolarHBondContact N-O 3.32Å; N240-L245 VanDerWaalsContact N-O 3.09Å; N240-L245 PolarHBondContact OD1-N 3.26Å; N240-L245 PolarHBondContact OD1-O 3.04Å; L245-V257 HydrophobicContact CB-CG1 4.41Å; L245-V257 HydrophobicContact CD1-CG1 4.48Å; L245-V257 HydrophobicContact CD2-CG1 4.48Å; L245-F258 CarbonylContact C-O 3.53Å; L245-F258 VanDerWaalsContact CA-O 3.23Å; L245-F258 WeakPolarHBondContact CA-O 3.32Å; L245-F306 HydrophobicContact CB-CE1 4.09Å; L245-F306 HydrophobicContact CB-CE2 4.39Å; L245-F306 HydrophobicContact CB-CZ 3.62Å; L245-F306 HydrophobicContact CD1-CE1 4.12Å; L245-F306 HydrophobicContact CD1-CZ 4.48Å; L245-D328 HydrophobicContact CD1-CB 4.43Å |
| 246 | I | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 133.1 | 168 | -70.7 | -177.8 | 0 | 0 | 0 | 108.7 | A202 V213 L225 V237 R238 F239 V257 F258 L260 | A202-I246 HydrophobicContact CB-CD1 4Å; V213-I246 HydrophobicContact CG2-CD1 3.46Å; V213-I246 VanDerWaalsContact CG2-CD1 3.46Å; L225-I246 HydrophobicContact CD1-CD1 4.15Å; V237-I246 HydrophobicContact CG1-CG2 3.49Å; V237-I246 VanDerWaalsContact CG1-CG2 3.49Å; R238-I246 CarbonylContact O-C 3.58Å; R238-I246 VanDerWaalsContact O-CA 3.29Å; R238-I246 WeakPolarHBondContact O-CA 3.27Å; F239-I246 HydrophobicContact CD1-CD1 3.94Å; F239-I246 HydrophobicContact CD1-CG1 3.57Å; F239-I246 HydrophobicContact CE1-CD1 3.46Å; F239-I246 VanDerWaalsContact CE1-CD1 3.46Å; F239-I246 HydrophobicContact CE1-CG1 3.66Å; F239-I246 HydrophobicContact CE2-CD1 4.28Å; F239-I246 HydrophobicContact CG-CG1 4.08Å; F239-I246 HydrophobicContact CZ-CD1 3.65Å; F239-I246 HydrophobicContact CZ-CG1 4.2Å; I246-V257 CarbonylContact O-C 3.53Å; I246-V257 VanDerWaalsContact O-CA 3.26Å; I246-V257 WeakPolarHBondContact O-CA 3.3Å; I246-F258 PolarHBondContact N-O 2.79Å; I246-F258 PolarHBondContact O-N 3Å; I246-L260 HydrophobicContact CD1-CD1 3.79Å; I246-L260 HydrophobicContact CD1-CD2 3.99Å; I246-L260 HydrophobicContact CD1-CG 4.3Å; I246-L260 HydrophobicContact CG1-CD1 3.77Å; I246-L260 HydrophobicContact CG1-CD2 4.32Å; I246-L260 HydrophobicContact CG1-CG 4.21Å |
| 247 | C | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 145.6 | 166.3 | 67.6 | 0 | 0 | 0 | 0 | 110.7 | V237 R238 V255 H256 V257 F306 I330 | V237-C247 CarbonylContact C-O 3.56Å; V237-C247 VanDerWaalsContact CA-O 3.29Å; V237-C247 WeakPolarHBondContact CA-O 3.46Å; R238-C247 PolarHBondContact N-O 3.46Å; R238-C247 PolarHBondContact O-N 2.71Å; C247-V255 HydrophobicContact CB-CG1 4.07Å; C247-H256 CarbonylContact C-O 3.43Å; C247-H256 VanDerWaalsContact CA-O 3.29Å; C247-H256 WeakPolarHBondContact CA-O 3.48Å; C247-V257 HydrophobicContact CB-CG2 4.39Å; C247-F306 HydrophobicContact CB-CE2 3.77Å; C247-F306 HydrophobicContact CB-CZ 3.8Å; C247-F306 VanDerWaalsContact SG-CE2 3.57Å; C247-I330 HydrophobicContact CB-CD1 4.44Å |
| 248 | A | 94.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 120.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I211 I234 C236 V237 V255 H256 F258 | I211-A248 HydrophobicContact CD1-CB 3.36Å; I211-A248 HydrophobicContact CG1-CB 4.34Å; I234-A248 HydrophobicContact CG2-CB 4.46Å; C236-A248 CarbonylContact O-C 3.55Å; C236-A248 WeakPolarHBondContact O-CA 3.44Å; V237-A248 HydrophobicContact CG2-CB 4.12Å; A248-V255 CarbonylContact O-C 3.49Å; A248-V255 WeakPolarHBondContact O-CA 3.5Å; A248-H256 PolarHBondContact N-O 3.26Å; A248-H256 PolarHBondContact O-N 3.28Å; A248-F258 HydrophobicContact CB-CE2 4.38Å |
| 249 | A | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I234 Y235 C236 F302 C304 | I234-A249 CarbonylContact C-O 3.1Å; I234-A249 VanDerWaalsContact CA-O 3.32Å; I234-A249 WeakPolarHBondContact CA-O 3.48Å; I234-A249 WeakPolarHBondContact CG2-O 3.26Å; Y235-A249 PolarHBondContact N-O 2.98Å; C236-A249 HydrophobicContact CB-CB 4.49Å; C236-A249 PolarHBondContact O-N 3.49Å; A249-F302 HydrophobicContact CB-CD2 3.79Å; A249-F302 HydrophobicContact CB-CE2 3.39Å; A249-F302 HydrophobicContact CB-CZ 4.17Å; A249-C304 HydrophobicContact CB-CB 4.23Å; A249-C304 VanDerWaalsContact CB-SG 3.57Å; A249-C304 PolarHBondContact N-SG 3.05Å |
| 250 | S | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 149.3 | -178.2 | 64.9 | 0 | 0 | 0 | 0 | 112.8 | L233 N252 G253 T254 F302 | L233-S250 CarbonylContact O-C 3.19Å; L233-S250 WeakPolarHBondContact O-CA 3.4Å; S250-N252 PolarHBondContact O-N 2.81Å; S250-G253 PolarHBondContact O-N 2.97Å; S250-T254 PolarHBondContact N-O 3.27Å; S250-T254 PolarHBondContact OG-O 3.03Å; S250-T254 PolarHBondContact OG-OG1 3.08Å; S250-F302 VanDerWaalsContact O-CE1 3.3Å; S250-F302 WeakPolarHBondContact O-CE1 3.43Å; S250-F302 WeakPolarHBondContact O-CZ 3.37Å |
| 251 | S | 90.5 | Very high | 88.8 | Confident | 27 Ų | 27 | 22.7 Ų | 22.7 | 19% | 0.189 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -9.2 | 176.5 | 68.1 | 0 | 0 | 0 | 0 | 114.9 | L233 Y235 G253 | L233-S251 PolarHBondContact N-OG 3.25Å; L233-S251 PolarHBondContact O-N 3.42Å; Y235-S251 VanDerWaalsContact CE2-CA 3.5Å; Y235-S251 WeakPolarHBondContact OH-CB 3.45Å; S251-G253 PolarHBondContact O-N 2.65Å |
| 252 | N | 89.1 | Confident | 87.7 | Confident | 62 Ų | 62 | 25.7 Ų | 25.7 | 33% | 0.332 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 12 | 171.4 | -72.2 | -9.4 | 0 | 0 | 0 | 112.8 | S250 T254 | S250-N252 PolarHBondContact O-N 2.81Å; N252-T254 VanDerWaalsContact C-N 3.33Å; N252-T254 PolarHBondContact O-N 3.37Å |
| 253 | G | 87.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 24.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S250 S251 V291 | S250-G253 PolarHBondContact O-N 2.97Å; S251-G253 PolarHBondContact O-N 2.65Å; G253-V291 PolarHBondContact O-N 3.07Å |
| 254 | T | 89.1 | Confident | 84.1 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 142.7 | -178.4 | 64.5 | 0 | 0 | 0 | 0 | 113.6 | S250 N252 H256 R288 I289 | S250-T254 PolarHBondContact N-O 3.27Å; S250-T254 PolarHBondContact OG-O 3.03Å; S250-T254 PolarHBondContact OG-OG1 3.08Å; N252-T254 VanDerWaalsContact C-N 3.33Å; N252-T254 PolarHBondContact O-N 3.37Å; T254-H256 PolarHBondContact OG1-NE2 3.47Å; T254-R288 HydrophobicContact CG2-CG 4.47Å; T254-R288 PolarHBondContact OG1-NE 2.86Å; T254-I289 CarbonylContact C-O 3.59Å; T254-I289 WeakPolarHBondContact CA-O 3.11Å; T254-I289 WeakPolarHBondContact CB-O 3.32Å |
| 255 | V | 90.8 | Very high | 82 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.9 | 170.2 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | C247 A248 R288 I289 V291 F302 C304 I330 V332 | C247-V255 HydrophobicContact CB-CG1 4.07Å; A248-V255 CarbonylContact O-C 3.49Å; A248-V255 WeakPolarHBondContact O-CA 3.5Å; V255-R288 WeakPolarHBondContact O-CA 3.42Å; V255-I289 HydrophobicContact CB-CB 4.37Å; V255-I289 PolarHBondContact N-O 2.68Å; V255-I289 PolarHBondContact O-N 2.81Å; V255-V291 HydrophobicContact CG2-CG2 4.15Å; V255-F302 HydrophobicContact CG2-CD2 4.48Å; V255-F302 HydrophobicContact CG2-CE2 3.7Å; V255-C304 HydrophobicContact CG1-CB 4.2Å; V255-C304 HydrophobicContact CG2-CB 3.99Å; V255-I330 HydrophobicContact CG1-CG2 4.39Å; V255-V332 HydrophobicContact CG2-CG2 3.99Å |
| 256 | H | 91.2 | Very high | 79.5 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.1 | 174.6 | -77.6 | -110.1 | 0 | 0 | 0 | 110.1 | R227 C247 A248 T254 F258 S285 | R227-H256 HydrophobicContact CG-CB 4.21Å; R227-H256 PolarHBondContact O-CE1 2.9Å; R227-H256 PolarHBondContact O-ND1 2.97Å; C247-H256 CarbonylContact C-O 3.43Å; C247-H256 VanDerWaalsContact CA-O 3.29Å; C247-H256 WeakPolarHBondContact CA-O 3.48Å; A248-H256 PolarHBondContact N-O 3.26Å; A248-H256 PolarHBondContact O-N 3.28Å; T254-H256 PolarHBondContact OG1-NE2 3.47Å; H256-F258 HydrophobicContact CB-CD2 4.45Å; H256-F258 HydrophobicContact CB-CE2 3.57Å; H256-F258 HydrophobicContact CB-CZ 3.82Å; H256-S285 WeakPolarHBondContact ND1-CB 3.42Å; H256-S285 PolarHBondContact ND1-OG 2.88Å |
| 257 | V | 90.1 | Very high | 76.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.4 | 175.6 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | L245 I246 C247 S285 F286 T287 I289 F306 I330 | L245-V257 HydrophobicContact CB-CG1 4.41Å; L245-V257 HydrophobicContact CD1-CG1 4.48Å; L245-V257 HydrophobicContact CD2-CG1 4.48Å; I246-V257 CarbonylContact O-C 3.53Å; I246-V257 VanDerWaalsContact O-CA 3.26Å; I246-V257 WeakPolarHBondContact O-CA 3.3Å; C247-V257 HydrophobicContact CB-CG2 4.39Å; V257-S285 CarbonylContact O-C 3.53Å; V257-S285 WeakPolarHBondContact O-CA 3.1Å; V257-S285 WeakPolarHBondContact O-CB 2.98Å; V257-F286 WeakPolarHBondContact O-CA 3.44Å; V257-F286 WeakPolarHBondContact O-CB 3.18Å; V257-F286 PolarHBondContact O-N 2.93Å; V257-T287 HydrophobicContact CB-CG2 3.52Å; V257-T287 HydrophobicContact CG1-CG2 4.38Å; V257-T287 HydrophobicContact CG2-CG2 3.47Å; V257-T287 VanDerWaalsContact CG2-CG2 3.47Å; V257-T287 PolarHBondContact N-O 3.38Å; V257-T287 PolarHBondContact O-N 3.46Å; V257-I289 HydrophobicContact CG2-CD1 4.47Å; V257-F306 HydrophobicContact CG1-CZ 4.26Å; V257-I330 HydrophobicContact CG2-CD1 3.22Å |
| 258 | F | 89.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146.4 | 179.3 | -58.1 | -92.4 | 0 | 0 | 0 | 109.2 | I211 L225 R226 R227 L245 I246 A248 H256 S285 | I211-F258 HydrophobicContact CD1-CD2 4.34Å; I211-F258 HydrophobicContact CD1-CE2 3.52Å; I211-F258 HydrophobicContact CD1-CZ 3.95Å; L225-F258 HydrophobicContact CB-CD1 3.73Å; L225-F258 HydrophobicContact CB-CE1 3.88Å; L225-F258 HydrophobicContact CB-CG 4.08Å; L225-F258 HydrophobicContact CB-CZ 4.36Å; L225-F258 HydrophobicContact CD1-CB 3.78Å; L225-F258 HydrophobicContact CD1-CD1 4.33Å; L225-F258 HydrophobicContact CD1-CD2 4.28Å; L225-F258 HydrophobicContact CD1-CG 3.89Å; L225-F258 HydrophobicContact CD2-CB 4.17Å; L225-F258 HydrophobicContact CD2-CD1 4.14Å; L225-F258 HydrophobicContact CD2-CG 4.37Å; L225-F258 HydrophobicContact CG-CB 4.43Å; L225-F258 HydrophobicContact CG-CD1 4.29Å; L225-F258 HydrophobicContact CG-CG 4.34Å; R226-F258 WeakPolarHBondContact O-CE1 3.25Å; R227-F258 HydrophobicContact CB-CZ 4.2Å; L245-F258 CarbonylContact C-O 3.53Å; L245-F258 VanDerWaalsContact CA-O 3.23Å; L245-F258 WeakPolarHBondContact CA-O 3.32Å; I246-F258 PolarHBondContact N-O 2.79Å; I246-F258 PolarHBondContact O-N 3Å; A248-F258 HydrophobicContact CB-CE2 4.38Å; H256-F258 HydrophobicContact CB-CD2 4.45Å; H256-F258 HydrophobicContact CB-CE2 3.57Å; H256-F258 HydrophobicContact CB-CZ 3.82Å; F258-S285 VanDerWaalsContact CE1-CA 3.42Å; F258-S285 VanDerWaalsContact CE1-N 3.29Å |
| 259 | S | 86.4 | Confident | 71.5 | Confident | 18 Ų | 18 | 54.8 Ų | 54.8 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 130.7 | 170.9 | 175.1 | 0 | 0 | 0 | 0 | 109.6 | S244 K261 R283 | S244-S259 WeakPolarHBondContact O-CA 3.22Å; S259-K261 PolarHBondContact OG-N 3.25Å; S259-R283 PolarHBondContact O-NE 2.81Å |
| 260 | L | 85.3 | Confident | 69 | Low | 14 Ų | 14 | 64.6 Ų | 64.6 | 7% | 0.073 | 37% | 0.367 | C | S | . | . | trans | -91.4 | -9 | 178.8 | -58.2 | -176 | 0 | 0 | 0 | 112.9 | L200 V213 H223 L225 F239 S243 S244 I246 M262 | L200-L260 HydrophobicContact CD1-CD1 4.45Å; V213-L260 HydrophobicContact CG2-CD2 4.23Å; H223-L260 HydrophobicContact CB-CD2 4.46Å; L225-L260 HydrophobicContact CD1-CD2 3.94Å; L225-L260 HydrophobicContact CD2-CD2 4.39Å; F239-L260 HydrophobicContact CD1-CD1 3.99Å; F239-L260 HydrophobicContact CE1-CD1 3.62Å; S243-L260 VanDerWaalsContact O-CD1 3.31Å; S243-L260 WeakPolarHBondContact O-CD1 3Å; S244-L260 PolarHBondContact O-N 3.4Å; I246-L260 HydrophobicContact CD1-CD1 3.79Å; I246-L260 HydrophobicContact CD1-CD2 3.99Å; I246-L260 HydrophobicContact CD1-CG 4.3Å; I246-L260 HydrophobicContact CG1-CD1 3.77Å; I246-L260 HydrophobicContact CG1-CD2 4.32Å; I246-L260 HydrophobicContact CG1-CG 4.21Å; L260-M262 PolarHBondContact O-N 3.4Å | ||
| 261 | K | 76.2 | Confident | 66.5 | Low | 127 Ų | 127 | 68.6 Ų | 68.6 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -61 | 122.6 | 175 | -63 | -173.3 | -177.2 | -178.4 | 0 | 109.5 | S259 | S259-K261 PolarHBondContact OG-N 3.25Š|
| 262 | M | 60.2 | Low | 64.1 | Low | 136 Ų | 136 | 73 Ų | 73 | 67% | 0.67 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 135.6 | 170.2 | -69.6 | -66.7 | -171.8 | 0 | 0 | 108.5 | L260 K264 | L260-M262 PolarHBondContact O-N 3.4Å; M262-K264 PolarHBondContact O-N 3.01Å; M262-K264 VanDerWaalsContact O-N 3.12Å |
| 263 | P | 53 | Low | 61.7 | Low | 89 Ų | 89 | 73.4 Ų | 73.4 | 58% | 0.578 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 122.9 | 172.2 | 24.8 | -30.2 | 0 | 0 | 0 | 107.8 | S265 | P263-S265 PolarHBondContact O-N 3.07Å; P263-S265 VanDerWaalsContact O-N 3.16Å |
| 264 | K | 45 | Very low | 59.6 | Low | 199 Ų | 199 | 81.6 Ų | 81.6 | 87% | 0.865 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -51 | 127 | 162.1 | -70.6 | -173.4 | 177.2 | -175.3 | 0 | 105.7 | M262 S266 | M262-K264 PolarHBondContact O-N 3.01Å; M262-K264 VanDerWaalsContact O-N 3.12Å; K264-S266 VanDerWaalsContact C-N 3.28Å; K264-S266 PolarHBondContact O-N 2.96Å |
| 265 | S | 40.9 | Very low | 57.4 | Low | 117 Ų | 117 | 86.8 Ų | 86.8 | 82% | 0.818 | 48% | 0.483 | S | S | * | . | trans | -54.4 | 94.1 | 179.7 | 54.4 | 0 | 0 | 0 | 0 | 109 | P263 S267 | P263-S265 PolarHBondContact O-N 3.07Å; P263-S265 VanDerWaalsContact O-N 3.16Å; S265-S267 PolarHBondContact O-N 3Å; S265-S267 VanDerWaalsContact O-N 3.09Å | ||
| 266 | S | 38.5 | Very low | 54.9 | Low | 81 Ų | 81 | 91.5 Ų | 91.5 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | trans | -68.6 | 109.6 | 164.1 | 53.8 | 0 | 0 | 0 | 0 | 104.9 | K264 T268 | K264-S266 VanDerWaalsContact C-N 3.28Å; K264-S266 PolarHBondContact O-N 2.96Å; S266-T268 PolarHBondContact O-N 3.41Å; S266-T268 PolarHBondContact O-OG1 3.15Å | ||
| 267 | S | 36.1 | Very low | 52.5 | Low | 121 Ų | 121 | 99 Ų | 99 | 85% | 0.846 | 54% | 0.536 | S | S | * | . | trans | -61 | 68.2 | 179.6 | 48.4 | 0 | 0 | 0 | 0 | 112 | S265 | S265-S267 PolarHBondContact O-N 3Å; S265-S267 VanDerWaalsContact O-N 3.09Å | ||
| 268 | T | 38 | Very low | 50.2 | Low | 91 Ų | 91 | 107.7 Ų | 107.7 | 56% | 0.558 | 57% | 0.574 | S | S | * | * | trans | -136.4 | 108.1 | 179.2 | 57.1 | 0 | 0 | 0 | 0 | 111 | S266 Q273 | S266-T268 PolarHBondContact O-N 3.41Å; S266-T268 PolarHBondContact O-OG1 3.15Å; T268-Q273 PolarHBondContact O-NE2 3.32Å | ||
| 269 | G | 37.6 | Very low | 47.9 | Very low | 55 Ų | 55 | 114 Ų | 114 | 57% | 0.567 | 61% | 0.606 | S | S | * | * | trans | 70.2 | 98.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | A271 | G269-A271 PolarHBondContact O-N 3.3Š| ||
| 270 | F | 40.3 | Very low | 45.8 | Very low | 206 Ų | 206 | 118.7 Ų | 118.7 | 90% | 0.904 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -10.3 | -172.8 | -88.9 | -91 | 0 | 0 | 0 | 117 | ||
| 271 | A | 41 | Very low | 44.4 | Very low | 83 Ų | 83 | 121.9 Ų | 121.9 | 69% | 0.686 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -47.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G269 Q273 | G269-A271 PolarHBondContact O-N 3.3Å; A271-Q273 PolarHBondContact O-N 3.41Å |
| 272 | D | 39.5 | Very low | 43.5 | Very low | 120 Ų | 120 | 116 Ų | 116 | 64% | 0.642 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78.6 | -20.4 | -169.7 | -119.8 | -4.5 | 0 | 0 | 0 | 113.9 | L276 | D272-L276 PolarHBondContact O-N 3.42Å |
| 273 | Q | 39.8 | Very low | 43.9 | Very low | 70 Ų | 70 | 114.5 Ų | 114.5 | 33% | 0.327 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -73.7 | -28.3 | -178.9 | -74.2 | -176 | 17.9 | 0 | 0 | 113.5 | T268 A271 R277 | T268-Q273 PolarHBondContact O-NE2 3.32Å; A271-Q273 PolarHBondContact O-N 3.41Å; Q273-R277 VanDerWaalsContact O-CB 3.23Å; Q273-R277 WeakPolarHBondContact O-CB 3.45Å; Q273-R277 WeakPolarHBondContact O-CG 3.31Å; Q273-R277 PolarHBondContact O-N 3.4Å |
| 274 | K | 43.4 | Very low | 44.5 | Very low | 172 Ų | 172 | 113.5 Ų | 113.5 | 75% | 0.748 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68 | -43.4 | -177.4 | -89 | -177.8 | 175.8 | 177.6 | 0 | 111.9 | K278 | K274-K278 PolarHBondContact O-N 2.64Å |
| 275 | I | 42.8 | Very low | 45.6 | Very low | 112 Ų | 112 | 105.5 Ų | 105.5 | 57% | 0.574 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70 | -46 | -178.8 | -61.4 | 174 | 0 | 0 | 0 | 110.1 | R277 K278 I279 | I275-R277 PolarHBondContact O-N 3.03Å; I275-K278 PolarHBondContact O-N 3.49Å; I275-I279 HydrophobicContact CG2-CD1 4.07Å; I275-I279 PolarHBondContact O-N 2.86Å |
| 276 | L | 38.4 | Very low | 46.8 | Very low | 99 Ų | 99 | 103.5 Ų | 103.5 | 52% | 0.518 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.6 | -36.2 | 177.6 | -76.2 | 166.9 | 0 | 0 | 0 | 112.8 | D272 K278 I279 L280 | D272-L276 PolarHBondContact O-N 3.42Å; L276-K278 VanDerWaalsContact C-N 3.31Å; L276-K278 PolarHBondContact O-N 3.27Å; L276-I279 PolarHBondContact O-N 2.8Å; L276-L280 HydrophobicContact CD2-CD1 4.26Å; L276-L280 WeakPolarHBondContact O-CB 3.4Å; L276-L280 PolarHBondContact O-N 2.84Å |
| 277 | R | 40 | Very low | 48.5 | Very low | 169 Ų | 169 | 100.3 Ų | 100.3 | 64% | 0.638 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.1 | -31.5 | 174.6 | -79.8 | 179.5 | -173.1 | -167.3 | 6.3 | 113 | Q273 I275 S281 | Q273-R277 VanDerWaalsContact O-CB 3.23Å; Q273-R277 WeakPolarHBondContact O-CB 3.45Å; Q273-R277 WeakPolarHBondContact O-CG 3.31Å; Q273-R277 PolarHBondContact O-N 3.4Å; I275-R277 PolarHBondContact O-N 3.03Å; R277-S281 VanDerWaalsContact O-CA 3.25Å; R277-S281 WeakPolarHBondContact O-CA 3.31Å; R277-S281 PolarHBondContact O-N 3.19Å; R277-S281 VanDerWaalsContact O-N 3.16Å |
| 278 | K | 42 | Very low | 50.8 | Low | 183 Ų | 183 | 101.7 Ų | 101.7 | 80% | 0.796 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -76.4 | -39.2 | 179.3 | -153.8 | 176.9 | -174.1 | -178.7 | 0 | 111.8 | K274 I275 L276 | K274-K278 PolarHBondContact O-N 2.64Å; I275-K278 PolarHBondContact O-N 3.49Å; L276-K278 VanDerWaalsContact C-N 3.31Å; L276-K278 PolarHBondContact O-N 3.27Å |
| 279 | I | 41.7 | Very low | 52.9 | Low | 132 Ų | 132 | 98.7 Ų | 98.7 | 68% | 0.677 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -80 | -32.5 | -178.7 | -60.5 | 175.2 | 0 | 0 | 0 | 111.8 | I275 L276 | I275-I279 HydrophobicContact CG2-CD1 4.07Å; I275-I279 PolarHBondContact O-N 2.86Å; L276-I279 PolarHBondContact O-N 2.8Å |
| 280 | L | 42.5 | Very low | 55.3 | Low | 116 Ų | 116 | 100.1 Ų | 100.1 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 44.7 | 175.5 | -78 | 121.3 | 0 | 0 | 0 | 112 | L276 A282 | L276-L280 HydrophobicContact CD2-CD1 4.26Å; L276-L280 WeakPolarHBondContact O-CB 3.4Å; L276-L280 PolarHBondContact O-N 2.84Å; L280-A282 PolarHBondContact O-N 3.22Å |
| 281 | S | 54.6 | Low | 57.5 | Low | 81 Ų | 81 | 90.6 Ų | 90.6 | 57% | 0.566 | 46% | 0.464 | S | S | * | . | trans | -54.6 | -28.6 | 177.9 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | R277 | R277-S281 VanDerWaalsContact O-CA 3.25Å; R277-S281 WeakPolarHBondContact O-CA 3.31Å; R277-S281 PolarHBondContact O-N 3.19Å; R277-S281 VanDerWaalsContact O-N 3.16Å | ||
| 282 | A | 58.3 | Low | 59.5 | Low | 4 Ų | 4 | 89.6 Ų | 89.6 | 3% | 0.033 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -91.3 | 123.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L210 E224 R226 L280 | L210-A282 HydrophobicContact CD2-CB 3.9Å; E224-A282 HydrophobicContact CB-CB 4.38Å; E224-A282 HydrophobicContact CG-CB 3.93Å; E224-A282 CarbonylContact O-C 3.48Å; E224-A282 WeakPolarHBondContact O-CA 3.37Å; R226-A282 HydrophobicContact CB-CB 3.85Å; L280-A282 PolarHBondContact O-N 3.22Å |
| 283 | R | 69.3 | Low | 61.4 | Low | 104 Ų | 104 | 89.4 Ų | 89.4 | 39% | 0.392 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 129.3 | -176.9 | -175.1 | 175.2 | 168.6 | 140.2 | -10.6 | 111.3 | E224 L225 R226 S259 | E224-R283 PolarHBondContact O-N 3.13Å; L225-R283 CarbonylContact C-O 3.53Å; L225-R283 WeakPolarHBondContact CA-O 3.37Å; L225-R283 HydrophobicContact CD2-CB 4.18Å; R226-R283 PolarHBondContact N-O 3.45Å; S259-R283 PolarHBondContact O-NE 2.81Å |
| 284 | A | 65.8 | Low | 63.4 | Low | 69 Ų | 69 | 86.4 Ų | 86.4 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 156.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 285 | S | 66.3 | Low | 65.2 | Low | 30 Ų | 30 | 81.6 Ų | 81.6 | 21% | 0.21 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -59 | 139.6 | 178.8 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | H256 V257 F258 | H256-S285 WeakPolarHBondContact ND1-CB 3.42Å; H256-S285 PolarHBondContact ND1-OG 2.88Å; V257-S285 CarbonylContact O-C 3.53Å; V257-S285 WeakPolarHBondContact O-CA 3.1Å; V257-S285 WeakPolarHBondContact O-CB 2.98Å; F258-S285 VanDerWaalsContact CE1-CA 3.42Å; F258-S285 VanDerWaalsContact CE1-N 3.29Å |
| 286 | F | 67.5 | Low | 66.7 | Low | 75 Ų | 75 | 84.4 Ų | 84.4 | 33% | 0.329 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -65 | -45.4 | 172.9 | 176.9 | -99 | 0 | 0 | 0 | 111.6 | V257 K347 | V257-F286 WeakPolarHBondContact O-CA 3.44Å; V257-F286 WeakPolarHBondContact O-CB 3.18Å; V257-F286 PolarHBondContact O-N 2.93Å; F286-K347 HydrophobicContact CD2-CB 4.31Å; F286-K347 HydrophobicContact CE2-CB 3.9Å; F286-K347 HydrophobicContact CZ-CB 4.16Å |
| 287 | T | 74.1 | Confident | 68.6 | Low | 14 Ų | 14 | 89.8 Ų | 89.8 | 9% | 0.086 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 155.3 | 173.5 | -160.6 | 0 | 0 | 0 | 0 | 111.2 | V257 I289 P344 | V257-T287 HydrophobicContact CB-CG2 3.52Å; V257-T287 HydrophobicContact CG1-CG2 4.38Å; V257-T287 HydrophobicContact CG2-CG2 3.47Å; V257-T287 VanDerWaalsContact CG2-CG2 3.47Å; V257-T287 PolarHBondContact N-O 3.38Å; V257-T287 PolarHBondContact O-N 3.46Å; T287-I289 HydrophobicContact CG2-CG1 4.49Å; T287-P344 HydrophobicContact CG2-CB 3.98Å |
| 288 | R | 83 | Confident | 70.6 | Confident | 150 Ų | 150 | 86.2 Ų | 86.2 | 57% | 0.566 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 120.6 | 175.3 | 179.5 | -177.9 | -179.1 | -159.7 | -8.3 | 107.7 | T254 V255 | T254-R288 HydrophobicContact CG2-CG 4.47Å; T254-R288 PolarHBondContact OG1-NE 2.86Å; V255-R288 WeakPolarHBondContact O-CA 3.42Å |
| 289 | I | 83.3 | Confident | 72.6 | Confident | 28 Ų | 28 | 80.3 Ų | 80.3 | 14% | 0.144 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.9 | 179 | -59.8 | 163.3 | 0 | 0 | 0 | 107 | T254 V255 V257 T287 I330 A342 | T254-I289 CarbonylContact C-O 3.59Å; T254-I289 WeakPolarHBondContact CA-O 3.11Å; T254-I289 WeakPolarHBondContact CB-O 3.32Å; V255-I289 HydrophobicContact CB-CB 4.37Å; V255-I289 PolarHBondContact N-O 2.68Å; V255-I289 PolarHBondContact O-N 2.81Å; V257-I289 HydrophobicContact CG2-CD1 4.47Å; T287-I289 HydrophobicContact CG2-CG1 4.49Å; I289-I330 HydrophobicContact CD1-CD1 3.86Å; I289-A342 HydrophobicContact CD1-CB 4.05Å; I289-A342 HydrophobicContact CG2-CB 4.27Å |
| 290 | S | 87.4 | Confident | 74.8 | Confident | 86 Ų | 86 | 74 Ų | 74 | 60% | 0.601 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.9 | 171.2 | -159.1 | 0 | 0 | 0 | 0 | 108.3 | ||
| 291 | V | 86.3 | Confident | 77 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.03 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 126.1 | 174.3 | -174.3 | 0 | 0 | 0 | 0 | 107.4 | G253 V255 V294 F302 V332 Y340 | G253-V291 PolarHBondContact O-N 3.07Å; V255-V291 HydrophobicContact CG2-CG2 4.15Å; V291-V294 HydrophobicContact CB-CB 4.23Å; V291-V294 HydrophobicContact CB-CG2 4.14Å; V291-V294 HydrophobicContact CG1-CB 4.35Å; V291-V294 HydrophobicContact CG1-CG2 3.72Å; V291-F302 HydrophobicContact CG2-CD2 4.13Å; V291-F302 HydrophobicContact CG2-CE1 4.3Å; V291-F302 HydrophobicContact CG2-CE2 3.71Å; V291-F302 HydrophobicContact CG2-CZ 3.81Å; V291-V332 HydrophobicContact CG1-CG1 4.17Å; V291-V332 HydrophobicContact CG2-CG1 4.1Å; V291-Y340 HydrophobicContact CG1-CD2 3.89Å; V291-Y340 HydrophobicContact CG1-CE2 3.81Å |
| 292 | P | 83.7 | Confident | 78.8 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 40% | 0.403 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 147.9 | 176.5 | -23.2 | 34.3 | 0 | 0 | 0 | 111.3 | V294 Y340 | P292-V294 PolarHBondContact O-N 3.49Å; P292-Y340 HydrophobicContact CB-CE1 3.91Å; P292-Y340 HydrophobicContact CG-CD1 3.96Å; P292-Y340 HydrophobicContact CG-CE1 3.6Å; P292-Y340 HydrophobicContact CG-CE2 4.44Å |
| 293 | N | 78.9 | Confident | 80.4 | Confident | 116 Ų | 116 | 65 Ų | 65 | 62% | 0.62 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 2.8 | 178.2 | -57.7 | -24.4 | 0 | 0 | 0 | 117.3 | H298 | N293-H298 PolarHBondContact O-ND1 3.39Š|
| 294 | V | 82.7 | Confident | 81.5 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | trans | -106.4 | 117.2 | 173.7 | -170.2 | 0 | 0 | 0 | 0 | 109.4 | V291 P292 V300 F302 | V291-V294 HydrophobicContact CB-CB 4.23Å; V291-V294 HydrophobicContact CB-CG2 4.14Å; V291-V294 HydrophobicContact CG1-CB 4.35Å; V291-V294 HydrophobicContact CG1-CG2 3.72Å; P292-V294 PolarHBondContact O-N 3.49Å; V294-V300 HydrophobicContact CG1-CB 4.25Å; V294-V300 WeakPolarHBondContact CG1-O 3.2Å; V294-V300 HydrophobicContact CG2-CB 3.88Å; V294-V300 HydrophobicContact CG2-CG2 4.29Å; V294-F302 HydrophobicContact CG1-CD1 4.22Å; V294-F302 HydrophobicContact CG1-CE1 4.05Å | ||
| 295 | N | 79.7 | Confident | 82.7 | Confident | 72 Ų | 72 | 56.8 Ų | 56.8 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | trans | -148.2 | -179.1 | 178.2 | 66.9 | 53.3 | 0 | 0 | 0 | 111.1 | Y297 H298 | N295-Y297 PolarHBondContact O-N 2.89Å; N295-Y297 WeakPolarHBondContact OD1-CA 3.38Å; N295-Y297 WeakPolarHBondContact OD1-CB 3.49Å; N295-Y297 PolarHBondContact OD1-N 3.03Å; N295-H298 PolarHBondContact N-O 3.25Å; N295-H298 VanDerWaalsContact N-O 3.16Å; N295-H298 CarbonylContact O-C 3.44Å; N295-H298 PolarHBondContact O-N 2.8Å; N295-H298 PolarHBondContact OD1-N 3.12Å | ||
| 296 | K | 74.8 | Confident | 83.7 | Confident | 171 Ų | 171 | 55.9 Ų | 55.9 | 74% | 0.743 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -59.9 | -31.6 | -178.1 | -174 | -179.1 | 175.7 | -171.7 | 0 | 113.3 | ||
| 297 | Y | 79.4 | Confident | 84 | Confident | 212 Ų | 212 | 52.6 Ų | 52.6 | 83% | 0.831 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -89 | -20.7 | -179 | -55.6 | -78 | 0 | 0 | 0 | 112.6 | N295 | N295-Y297 PolarHBondContact O-N 2.89Å; N295-Y297 WeakPolarHBondContact OD1-CA 3.38Å; N295-Y297 WeakPolarHBondContact OD1-CB 3.49Å; N295-Y297 PolarHBondContact OD1-N 3.03Å |
| 298 | H | 80.9 | Confident | 83.6 | Confident | 93 Ų | 93 | 54 Ų | 54 | 43% | 0.431 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -127.7 | 77.4 | 176 | -169.4 | -108.2 | 0 | 0 | 0 | 109.8 | N293 N295 V300 | N293-H298 PolarHBondContact O-ND1 3.39Å; N295-H298 PolarHBondContact N-O 3.25Å; N295-H298 VanDerWaalsContact N-O 3.16Å; N295-H298 CarbonylContact O-C 3.44Å; N295-H298 PolarHBondContact O-N 2.8Å; N295-H298 PolarHBondContact OD1-N 3.12Å; H298-V300 VanDerWaalsContact CE1-CG2 3.41Å; H298-V300 WeakPolarHBondContact CE1-CG2 3.25Å; H298-V300 PolarHBondContact O-N 3.23Å |
| 299 | P | 83.5 | Confident | 82.1 | Confident | 59 Ų | 59 | 47.3 Ų | 47.3 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | trans | -78.9 | 104.1 | -176.3 | 31.3 | -33.4 | 0 | 0 | 0 | 110.6 | F8 | F8-P299 WeakPolarHBondContact CD2-O 3.32Š| ||
| 300 | V | 88.2 | Confident | 79.9 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | trans | -103.8 | 124.9 | 171.8 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | F8 V294 H298 F302 C334 A335 D336 | F8-V300 HydrophobicContact CE2-CB 4.24Å; F8-V300 HydrophobicContact CE2-CG1 4.02Å; F8-V300 HydrophobicContact CE2-CG2 3.91Å; F8-V300 HydrophobicContact CZ-CG1 4.01Å; V294-V300 HydrophobicContact CG1-CB 4.25Å; V294-V300 WeakPolarHBondContact CG1-O 3.2Å; V294-V300 HydrophobicContact CG2-CB 3.88Å; V294-V300 HydrophobicContact CG2-CG2 4.29Å; H298-V300 VanDerWaalsContact CE1-CG2 3.41Å; H298-V300 WeakPolarHBondContact CE1-CG2 3.25Å; H298-V300 PolarHBondContact O-N 3.23Å; V300-F302 WeakPolarHBondContact O-CD1 3.34Å; V300-C334 HydrophobicContact CG1-CB 4.1Å; V300-A335 HydrophobicContact CG1-CB 4.24Å; V300-D336 HydrophobicContact CG1-CB 3.88Å; V300-D336 HydrophobicContact CG2-CB 4.47Å | ||
| 301 | P | 90.1 | Very high | 77.2 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.013 | 27% | 0.274 | C | S | . | . | trans | -65.9 | 140.7 | 170.4 | -17.1 | 28.1 | 0 | 0 | 0 | 111.6 | M1 S6 F8 Y235 A335 | M1-P301 HydrophobicContact CE-CB 3.49Å; M1-P301 VanDerWaalsContact CE-CB 3.49Å; M1-P301 HydrophobicContact CE-CG 4.37Å; M1-P301 HydrophobicContact SD-CB 4.29Å; S6-P301 WeakPolarHBondContact OG-CG 3.33Å; F8-P301 VanDerWaalsContact CB-CD 3.47Å; F8-P301 HydrophobicContact CB-CG 3.64Å; F8-P301 HydrophobicContact CD1-CG 4.44Å; F8-P301 VanDerWaalsContact CG-CD 3.4Å; F8-P301 HydrophobicContact CG-CG 4.06Å; Y235-P301 HydrophobicContact CE1-CB 4.3Å; P301-A335 HydrophobicContact CB-CB 4.25Å; P301-A335 HydrophobicContact CG-CB 4.36Å; P301-A335 VanDerWaalsContact O-CB 3.31Å; P301-A335 WeakPolarHBondContact O-CB 3.29Å; P301-A335 PolarHBondContact O-N 2.92Å | ||
| 302 | F | 91.3 | Very high | 74.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 155.5 | 179.1 | 62.9 | -88.1 | 0 | 0 | 0 | 111.5 | Y235 A249 S250 V255 V291 V294 V300 V332 I333 C334 | Y235-F302 WeakPolarHBondContact CB-O 3.33Å; Y235-F302 HydrophobicContact CD2-CD1 4.34Å; Y235-F302 HydrophobicContact CD2-CE1 4.31Å; Y235-F302 HydrophobicContact CE2-CD1 4.34Å; Y235-F302 HydrophobicContact CE2-CE1 4.27Å; A249-F302 HydrophobicContact CB-CD2 3.79Å; A249-F302 HydrophobicContact CB-CE2 3.39Å; A249-F302 HydrophobicContact CB-CZ 4.17Å; S250-F302 VanDerWaalsContact O-CE1 3.3Å; S250-F302 WeakPolarHBondContact O-CE1 3.43Å; S250-F302 WeakPolarHBondContact O-CZ 3.37Å; V255-F302 HydrophobicContact CG2-CD2 4.48Å; V255-F302 HydrophobicContact CG2-CE2 3.7Å; V291-F302 HydrophobicContact CG2-CD2 4.13Å; V291-F302 HydrophobicContact CG2-CE1 4.3Å; V291-F302 HydrophobicContact CG2-CE2 3.71Å; V291-F302 HydrophobicContact CG2-CZ 3.81Å; V294-F302 HydrophobicContact CG1-CD1 4.22Å; V294-F302 HydrophobicContact CG1-CE1 4.05Å; V300-F302 WeakPolarHBondContact O-CD1 3.34Å; F302-V332 HydrophobicContact CB-CG1 4.19Å; F302-V332 HydrophobicContact CD2-CG1 3.71Å; F302-V332 HydrophobicContact CE2-CG1 4.48Å; F302-V332 HydrophobicContact CG-CG1 4.21Å; F302-I333 CarbonylContact C-O 3.59Å; F302-I333 WeakPolarHBondContact CA-O 3.23Å; F302-I333 VanDerWaalsContact CB-O 3.25Å; F302-I333 WeakPolarHBondContact CB-O 3.29Å; F302-C334 HydrophobicContact CB-CB 4.16Å |
| 303 | L | 92.8 | Very high | 71.7 | Confident | 10 Ų | 10 | 56.7 Ų | 56.7 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 151.6 | 173.6 | -57.2 | 176.2 | 0 | 0 | 0 | 109.8 | M1 L16 F18 C236 V332 I333 | M1-L303 HydrophobicContact CB-CD1 4.13Å; M1-L303 HydrophobicContact CB-CD2 3.97Å; M1-L303 HydrophobicContact CB-CG 4.41Å; M1-L303 HydrophobicContact SD-CD2 3.84Å; M1-L303 HydrophobicContact SD-CG 4.43Å; L16-L303 HydrophobicContact CB-CD1 4.02Å; L16-L303 WeakPolarHBondContact O-CD1 3.33Å; F18-L303 HydrophobicContact CD2-CB 4.22Å; F18-L303 HydrophobicContact CE2-CB 3.69Å; C236-L303 HydrophobicContact CB-CD2 3.71Å; L303-V332 WeakPolarHBondContact O-CA 3.47Å; L303-I333 HydrophobicContact CB-CD1 4.22Å; L303-I333 HydrophobicContact CB-CG1 3.82Å; L303-I333 HydrophobicContact CD1-CD1 4.23Å; L303-I333 PolarHBondContact N-O 3.32Å; L303-I333 PolarHBondContact O-N 3.43Å |
| 304 | C | 92.6 | Very high | 69.3 | Low | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.4 | 172.7 | 68 | 0 | 0 | 0 | 0 | 110.6 | R238 A249 V255 I330 V331 V332 | R238-C304 WeakPolarHBondContact CG-O 3.41Å; A249-C304 HydrophobicContact CB-CB 4.23Å; A249-C304 VanDerWaalsContact CB-SG 3.57Å; A249-C304 PolarHBondContact N-SG 3.05Å; V255-C304 HydrophobicContact CG1-CB 4.2Å; V255-C304 HydrophobicContact CG2-CB 3.99Å; C304-I330 HydrophobicContact CB-CG2 4.36Å; C304-V331 CarbonylContact C-O 3.21Å; C304-V331 WeakPolarHBondContact CA-O 3.3Å; C304-V332 HydrophobicContact CB-CG2 4.17Å |
| 305 | A | 90.3 | Very high | 66.4 | Low | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 161.2 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | F18 S22 R238 I330 V331 | F18-A305 HydrophobicContact CD2-CB 3.99Å; F18-A305 HydrophobicContact CE1-CB 4.36Å; F18-A305 HydrophobicContact CE2-CB 3.79Å; F18-A305 HydrophobicContact CG-CB 4.35Å; F18-A305 HydrophobicContact CZ-CB 3.98Å; S22-A305 WeakPolarHBondContact OG-CB 3.43Å; R238-A305 HydrophobicContact CG-CB 4.21Å; A305-I330 WeakPolarHBondContact O-CA 3.4Å; A305-V331 PolarHBondContact N-O 2.62Å; A305-V331 PolarHBondContact O-N 3.43Å |
| 306 | F | 88.2 | Confident | 64 | Low | 11 Ų | 11 | 61.4 Ų | 61.4 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 136.5 | 165 | -66 | -86 | 0 | 0 | 0 | 108.4 | F239 N240 L245 C247 V257 S308 S329 I330 | F239-F306 VanDerWaalsContact C-CD2 3.44Å; F239-F306 WeakPolarHBondContact O-CD2 3.41Å; N240-F306 VanDerWaalsContact CA-CD2 3.47Å; N240-F306 HydrophobicContact CB-CB 4.14Å; N240-F306 HydrophobicContact CB-CD1 3.86Å; N240-F306 HydrophobicContact CB-CD2 3.59Å; N240-F306 HydrophobicContact CB-CE1 4.11Å; N240-F306 HydrophobicContact CB-CE2 3.83Å; N240-F306 HydrophobicContact CB-CG 3.58Å; N240-F306 HydrophobicContact CB-CZ 4.09Å; N240-F306 VanDerWaalsContact N-CD2 3.3Å; L245-F306 HydrophobicContact CB-CE1 4.09Å; L245-F306 HydrophobicContact CB-CE2 4.39Å; L245-F306 HydrophobicContact CB-CZ 3.62Å; L245-F306 HydrophobicContact CD1-CE1 4.12Å; L245-F306 HydrophobicContact CD1-CZ 4.48Å; C247-F306 HydrophobicContact CB-CE2 3.77Å; C247-F306 HydrophobicContact CB-CZ 3.8Å; C247-F306 VanDerWaalsContact SG-CE2 3.57Å; V257-F306 HydrophobicContact CG1-CZ 4.26Å; F306-S308 PolarHBondContact O-N 3.36Å; F306-S329 CarbonylContact C-O 3.35Å; F306-S329 VanDerWaalsContact CA-O 3.24Å; F306-S329 WeakPolarHBondContact CA-O 3.48Å; F306-I330 HydrophobicContact CD1-CG1 3.86Å; F306-I330 HydrophobicContact CE1-CD1 4.05Å; F306-I330 HydrophobicContact CE1-CG1 3.84Å |
| 307 | G | 73.8 | Confident | 61.7 | Low | 6 Ų | 6 | 62.9 Ų | 62.9 | 6% | 0.062 | 35% | 0.345 | C | S | . | . | trans | -64 | 132.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109 | G309 D327 S329 | G307-G309 PolarHBondContact O-N 2.85Å; G307-D327 CarbonylContact O-C 3.59Å; G307-S329 PolarHBondContact N-O 3.13Å | ||
| 308 | S | 64.9 | Low | 59.2 | Low | 43 Ų | 43 | 56.7 Ų | 56.7 | 30% | 0.301 | 33% | 0.332 | S | S | . | . | trans | -66.3 | 97.8 | 157.6 | 60.6 | 0 | 0 | 0 | 0 | 105 | A23 F306 S310 | A23-S308 WeakPolarHBondContact CA-OG 3.31Å; A23-S308 WeakPolarHBondContact CB-OG 3.35Å; F306-S308 PolarHBondContact O-N 3.36Å; S308-S310 PolarHBondContact O-N 3.41Å; S308-S310 VanDerWaalsContact O-N 3.13Å | ||
| 309 | G | 50.6 | Low | 56.7 | Low | 9 Ų | 9 | 57 Ų | 57 | 9% | 0.093 | 35% | 0.345 | C | S | . | . | trans | -49.7 | 131.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 106 | G307 V311 D327 | G307-G309 PolarHBondContact O-N 2.85Å; G309-V311 PolarHBondContact O-N 3.47Å; G309-D327 VanDerWaalsContact CA-OD1 3.27Å; G309-D327 WeakPolarHBondContact CA-OD1 3.3Å; G309-D327 PolarHBondContact N-OD1 3.01Å | ||
| 310 | S | 38.1 | Very low | 54.1 | Low | 90 Ų | 90 | 59.7 Ų | 59.7 | 63% | 0.629 | 37% | 0.365 | S | S | * | . | trans | -51.8 | 106.1 | 160 | -65.6 | 0 | 0 | 0 | 0 | 104 | S308 P312 | S308-S310 PolarHBondContact O-N 3.41Å; S308-S310 VanDerWaalsContact O-N 3.13Å; S310-P312 WeakPolarHBondContact O-CD 3.08Å | ||
| 311 | V | 30.3 | Very low | 51.2 | Low | 111 Ų | 111 | 66.4 Ų | 66.4 | 67% | 0.673 | 40% | 0.4 | S | S | * | . | trans | -40.6 | 117.9 | -174.9 | -178.2 | 0 | 0 | 0 | 0 | 105.6 | G309 L313 | G309-V311 PolarHBondContact O-N 3.47Å; V311-L313 PolarHBondContact O-N 2.88Å | ||
| 312 | P | 27 | Very low | 48.3 | Very low | 65 Ų | 65 | 72.8 Ų | 72.8 | 42% | 0.422 | 43% | 0.434 | S | S | . | . | trans | -62.4 | 94.1 | 163.6 | 14 | -10.3 | 0 | 0 | 0 | 103.3 | S310 I314 | S310-P312 WeakPolarHBondContact O-CD 3.08Å; P312-I314 CarbonylContact O-C 3.47Å; P312-I314 PolarHBondContact O-N 2.97Å | ||
| 313 | L | 27.4 | Very low | 45.3 | Very low | 113 Ų | 113 | 77.5 Ų | 77.5 | 59% | 0.592 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -45.4 | 116.7 | 159.3 | -72 | 161.1 | 0 | 0 | 0 | 102.7 | V311 | V311-L313 PolarHBondContact O-N 2.88Š|
| 314 | I | 28 | Very low | 42.5 | Very low | 75 Ų | 75 | 80.9 Ų | 80.9 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | trans | 106.2 | 79.4 | -165.4 | -44.9 | 137.6 | 0 | 0 | 0 | 112.6 | P312 Q316 F417 W421 | P312-I314 CarbonylContact O-C 3.47Å; P312-I314 PolarHBondContact O-N 2.97Å; I314-Q316 HydrophobicContact CG2-CB 4Å; I314-Q316 HydrophobicContact CG2-CG 3.64Å; I314-Q316 PolarHBondContact O-N 2.89Å; I314-F417 HydrophobicContact CG2-CZ 4.26Å; I314-W421 HydrophobicContact CD1-CE3 3.9Å; I314-W421 HydrophobicContact CD1-CH2 3.13Å; I314-W421 HydrophobicContact CD1-CZ2 4.1Å; I314-W421 HydrophobicContact CD1-CZ3 3.01Å; I314-W421 HydrophobicContact CG1-CE3 3.94Å; I314-W421 HydrophobicContact CG1-CH2 4.04Å; I314-W421 HydrophobicContact CG1-CZ3 3.36Å | ||
| 315 | A | 23.3 | Very low | 39.9 | Very low | 99 Ų | 99 | 85.9 Ų | 85.9 | 82% | 0.818 | 51% | 0.51 | S | S | * | . | trans | -70.5 | 103.9 | 148.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 316 | Q | 28.9 | Very low | 37.8 | Very low | 119 Ų | 119 | 89.8 Ų | 89.8 | 56% | 0.556 | 53% | 0.534 | S | S | * | . | trans | -100.7 | 112.3 | 170.3 | -108.9 | -169.6 | -23.9 | 0 | 0 | 108.9 | I314 S318 F417 | I314-Q316 HydrophobicContact CG2-CB 4Å; I314-Q316 HydrophobicContact CG2-CG 3.64Å; I314-Q316 PolarHBondContact O-N 2.89Å; Q316-S318 VanDerWaalsContact C-N 3.32Å; Q316-S318 PolarHBondContact O-N 2.8Å; Q316-F417 HydrophobicContact CG-CE1 3.72Å; Q316-F417 HydrophobicContact CG-CE2 4.21Å; Q316-F417 HydrophobicContact CG-CZ 3.43Å; Q316-F417 VanDerWaalsContact CG-CZ 3.43Å; Q316-F417 VanDerWaalsContact NE2-CD1 3.34Å | ||
| 317 | E | 26.8 | Very low | 36.3 | Very low | 203 Ų | 203 | 91.2 Ų | 91.2 | 95% | 0.949 | 54% | 0.542 | S | S | * | . | trans | -69.9 | 86.2 | 170.4 | -68.7 | -176.5 | 157 | 0 | 0 | 109.5 | ||||
| 318 | S | 27.1 | Very low | 36 | Very low | 81 Ų | 81 | 92 Ų | 92 | 57% | 0.566 | 55% | 0.545 | S | S | * | . | trans | -140.5 | 90.9 | 168.5 | 48.3 | 0 | 0 | 0 | 0 | 110.3 | Q316 | Q316-S318 VanDerWaalsContact C-N 3.32Å; Q316-S318 PolarHBondContact O-N 2.8Å | ||
| 319 | S | 26.8 | Very low | 36.6 | Very low | 99 Ų | 99 | 90.6 Ų | 90.6 | 69% | 0.692 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 29.8 | 106.4 | 137.3 | 43.3 | 0 | 0 | 0 | 0 | 118.1 | ||
| 320 | S | 29 | Very low | 38.2 | Very low | 116 Ų | 116 | 90.2 Ų | 90.2 | 81% | 0.811 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 5.2 | 138 | 71.4 | 0 | 0 | 0 | 0 | 121.7 | ||
| 321 | I | 28.4 | Very low | 40.6 | Very low | 143 Ų | 143 | 86 Ų | 86 | 73% | 0.733 | 50% | 0.501 | S | S | * | . | trans | -109.7 | 100.4 | 159.6 | -57.4 | 173.5 | 0 | 0 | 0 | 107.4 | C323 | I321-C323 PolarHBondContact O-N 2.93Š| ||
| 322 | N | 27.9 | Very low | 43.5 | Very low | 135 Ų | 135 | 80.9 Ų | 80.9 | 72% | 0.722 | 47% | 0.47 | S | S | * | . | trans | -65.8 | 71.8 | 174 | -67.4 | -46.6 | 0 | 0 | 0 | 110.1 | L324 K346 | N322-L324 PolarHBondContact O-N 3.34Å; N322-K346 PolarHBondContact O-NZ 3.27Å | ||
| 323 | C | 28.9 | Very low | 46.5 | Very low | 99 Ų | 99 | 78 Ų | 78 | 67% | 0.669 | 45% | 0.451 | S | S | * | . | trans | -64 | 112.8 | 153.2 | -56.6 | 0 | 0 | 0 | 0 | 104.3 | I321 N325 | I321-C323 PolarHBondContact O-N 2.93Å; C323-N325 PolarHBondContact O-N 2.71Å | ||
| 324 | L | 34.8 | Very low | 49.5 | Very low | 81 Ų | 81 | 72.8 Ų | 72.8 | 42% | 0.424 | 42% | 0.424 | S | S | . | . | trans | -58.7 | 132.8 | 168.7 | -73.7 | 108.3 | 0 | 0 | 0 | 105.9 | N322 T326 D328 K346 | N322-L324 PolarHBondContact O-N 3.34Å; L324-T326 PolarHBondContact O-N 3.3Å; L324-D328 HydrophobicContact CB-CB 4.48Å; L324-D328 HydrophobicContact CD2-CB 4.13Å; L324-D328 VanDerWaalsContact CD2-OD2 3.32Å; L324-D328 WeakPolarHBondContact CD2-OD2 3.31Å; L324-K346 HydrophobicContact CD1-CG 4.39Å | ||
| 325 | N | 38 | Very low | 52.3 | Low | 105 Ų | 105 | 69.2 Ų | 69.2 | 56% | 0.561 | 41% | 0.406 | S | S | * | . | trans | -47.4 | 139.5 | 169.8 | -83.8 | -16.2 | 0 | 0 | 0 | 107.6 | C323 D327 D328 | C323-N325 PolarHBondContact O-N 2.71Å; N325-D327 HydrophobicContact CB-CB 4.03Å; N325-D327 PolarHBondContact O-N 2.85Å; N325-D328 PolarHBondContact O-N 3Å | ||
| 326 | T | 45.1 | Very low | 55.3 | Low | 83 Ų | 83 | 67.3 Ų | 67.3 | 51% | 0.509 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -48.4 | -20.2 | 171.6 | 42.4 | 0 | 0 | 0 | 0 | 112.9 | L324 D328 S329 | L324-T326 PolarHBondContact O-N 3.3Å; T326-D328 PolarHBondContact O-N 3.39Å; T326-S329 WeakPolarHBondContact O-CB 3.49Å; T326-S329 PolarHBondContact O-N 2.97Å; T326-S329 PolarHBondContact O-OG 2.76Å |
| 327 | D | 57.2 | Low | 57.9 | Low | 41 Ų | 41 | 64.9 Ų | 64.9 | 22% | 0.219 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -63.7 | -15.7 | 175.8 | -49.6 | -17.8 | 0 | 0 | 0 | 114.8 | G307 G309 N325 | G307-D327 CarbonylContact O-C 3.59Å; G309-D327 VanDerWaalsContact CA-OD1 3.27Å; G309-D327 WeakPolarHBondContact CA-OD1 3.3Å; G309-D327 PolarHBondContact N-OD1 3.01Å; N325-D327 HydrophobicContact CB-CB 4.03Å; N325-D327 PolarHBondContact O-N 2.85Å |
| 328 | D | 67.2 | Low | 60.7 | Low | 23 Ų | 23 | 56.3 Ų | 56.3 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -95.1 | 4 | 177.6 | -76 | -25.6 | 0 | 0 | 0 | 113.2 | N240 L245 L324 N325 T326 P344 | N240-D328 PolarHBondContact ND2-OD1 2.87Å; L245-D328 HydrophobicContact CD1-CB 4.43Å; L324-D328 HydrophobicContact CB-CB 4.48Å; L324-D328 HydrophobicContact CD2-CB 4.13Å; L324-D328 VanDerWaalsContact CD2-OD2 3.32Å; L324-D328 WeakPolarHBondContact CD2-OD2 3.31Å; N325-D328 PolarHBondContact O-N 3Å; T326-D328 PolarHBondContact O-N 3.39Å; D328-P344 HydrophobicContact CB-CG 4.27Å; D328-P344 WeakPolarHBondContact O-CD 3.12Å; D328-P344 WeakPolarHBondContact O-CG 3.36Å |
| 329 | S | 77.7 | Confident | 63.5 | Low | 13 Ų | 13 | 55 Ų | 55 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | trans | -58.8 | 146.2 | 169.6 | 60.7 | 0 | 0 | 0 | 0 | 110.4 | F306 G307 T326 | F306-S329 CarbonylContact C-O 3.35Å; F306-S329 VanDerWaalsContact CA-O 3.24Å; F306-S329 WeakPolarHBondContact CA-O 3.48Å; G307-S329 PolarHBondContact N-O 3.13Å; T326-S329 WeakPolarHBondContact O-CB 3.49Å; T326-S329 PolarHBondContact O-N 2.97Å; T326-S329 PolarHBondContact O-OG 2.76Å | ||
| 330 | I | 85.1 | Confident | 66.3 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120 | -178 | -62.8 | 171.3 | 0 | 0 | 0 | 108.5 | C247 V255 V257 I289 C304 A305 F306 V332 N341 A342 P344 | C247-I330 HydrophobicContact CB-CD1 4.44Å; V255-I330 HydrophobicContact CG1-CG2 4.39Å; V257-I330 HydrophobicContact CG2-CD1 3.22Å; I289-I330 HydrophobicContact CD1-CD1 3.86Å; C304-I330 HydrophobicContact CB-CG2 4.36Å; A305-I330 WeakPolarHBondContact O-CA 3.4Å; F306-I330 HydrophobicContact CD1-CG1 3.86Å; F306-I330 HydrophobicContact CE1-CD1 4.05Å; F306-I330 HydrophobicContact CE1-CG1 3.84Å; I330-V332 HydrophobicContact CG2-CG2 4.27Å; I330-N341 CarbonylContact O-C 3.52Å; I330-N341 WeakPolarHBondContact O-CA 3.44Å; I330-A342 WeakPolarHBondContact CB-O 3.3Å; I330-A342 PolarHBondContact N-O 3.28Å; I330-A342 PolarHBondContact O-N 2.62Å; I330-P344 HydrophobicContact CD1-CB 4.37Å |
| 331 | V | 88.8 | Confident | 68.8 | Low | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 135.7 | 174.5 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | F18 T38 C304 A305 Y339 Y340 | F18-V331 HydrophobicContact CE1-CG1 4.35Å; F18-V331 HydrophobicContact CZ-CG1 4.33Å; T38-V331 HydrophobicContact CG2-CG1 4.39Å; C304-V331 CarbonylContact C-O 3.21Å; C304-V331 WeakPolarHBondContact CA-O 3.3Å; A305-V331 PolarHBondContact N-O 2.62Å; A305-V331 PolarHBondContact O-N 3.43Å; V331-Y339 HydrophobicContact CG1-CD2 4.23Å; V331-Y339 HydrophobicContact CG1-CE2 3.38Å; V331-Y340 CarbonylContact C-O 3.52Å; V331-Y340 WeakPolarHBondContact CA-O 3.39Å |
| 332 | V | 90 | Very high | 70.8 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.2 | 175.4 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | V255 V291 F302 L303 C304 I330 Y339 Y340 | V255-V332 HydrophobicContact CG2-CG2 3.99Å; V291-V332 HydrophobicContact CG1-CG1 4.17Å; V291-V332 HydrophobicContact CG2-CG1 4.1Å; F302-V332 HydrophobicContact CB-CG1 4.19Å; F302-V332 HydrophobicContact CD2-CG1 3.71Å; F302-V332 HydrophobicContact CE2-CG1 4.48Å; F302-V332 HydrophobicContact CG-CG1 4.21Å; L303-V332 WeakPolarHBondContact O-CA 3.47Å; C304-V332 HydrophobicContact CB-CG2 4.17Å; I330-V332 HydrophobicContact CG2-CG2 4.27Å; V332-Y339 WeakPolarHBondContact O-CA 3.36Å; V332-Y340 PolarHBondContact N-O 3.37Å; V332-Y340 PolarHBondContact O-N 2.88Å |
| 333 | I | 90.2 | Very high | 72.7 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 126.1 | 174.7 | 53.9 | 177.8 | 0 | 0 | 0 | 109.4 | F18 F25 F302 L303 Y339 | F18-I333 HydrophobicContact CD1-CD1 4.36Å; F18-I333 HydrophobicContact CD2-CD1 4.25Å; F18-I333 HydrophobicContact CE1-CD1 3.85Å; F18-I333 HydrophobicContact CE1-CG1 4.36Å; F18-I333 HydrophobicContact CE2-CD1 3.74Å; F18-I333 HydrophobicContact CE2-CG1 3.92Å; F18-I333 HydrophobicContact CZ-CD1 3.52Å; F18-I333 HydrophobicContact CZ-CG1 3.64Å; F18-I333 HydrophobicContact CZ-CG2 4.33Å; F25-I333 HydrophobicContact CB-CD1 3.92Å; F25-I333 HydrophobicContact CD1-CD1 4.5Å; F25-I333 HydrophobicContact CD1-CG2 4.14Å; F25-I333 HydrophobicContact CD2-CD1 3.91Å; F25-I333 HydrophobicContact CD2-CG2 4.44Å; F25-I333 HydrophobicContact CE1-CG2 3.86Å; F25-I333 HydrophobicContact CE2-CG2 4.19Å; F25-I333 HydrophobicContact CG-CD1 3.87Å; F25-I333 HydrophobicContact CG-CG2 4.41Å; F25-I333 HydrophobicContact CZ-CG2 3.88Å; F302-I333 CarbonylContact C-O 3.59Å; F302-I333 WeakPolarHBondContact CA-O 3.23Å; F302-I333 VanDerWaalsContact CB-O 3.25Å; F302-I333 WeakPolarHBondContact CB-O 3.29Å; L303-I333 HydrophobicContact CB-CD1 4.22Å; L303-I333 HydrophobicContact CB-CG1 3.82Å; L303-I333 HydrophobicContact CD1-CD1 4.23Å; L303-I333 PolarHBondContact N-O 3.32Å; L303-I333 PolarHBondContact O-N 3.43Å; I333-Y339 HydrophobicContact CG2-CD2 3.85Å; I333-Y339 HydrophobicContact CG2-CE2 4.39Å |
| 334 | C | 89.4 | Confident | 74.1 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 151 | -176.5 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | V300 F302 D336 G337 S338 | V300-C334 HydrophobicContact CG1-CB 4.1Å; F302-C334 HydrophobicContact CB-CB 4.16Å; C334-D336 WeakPolarHBondContact CB-OD1 3.29Å; C334-D336 PolarHBondContact O-N 2.85Å; C334-G337 PolarHBondContact O-N 2.8Å; C334-S338 WeakPolarHBondContact CB-O 3.36Å; C334-S338 WeakPolarHBondContact CB-OG 3.32Å; C334-S338 PolarHBondContact N-O 2.78Å; C334-S338 PolarHBondContact SG-OG 3.48Å |
| 335 | A | 88.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I3 F8 N10 L13 L16 V300 P301 G337 | I3-A335 HydrophobicContact CD1-CB 3.94Å; I3-A335 HydrophobicContact CG2-CB 4.37Å; F8-A335 HydrophobicContact CD1-CB 3.71Å; F8-A335 HydrophobicContact CE1-CB 3.52Å; F8-A335 WeakPolarHBondContact CE1-O 3.33Å; F8-A335 HydrophobicContact CZ-CB 4.36Å; N10-A335 PolarHBondContact ND2-O 3.27Å; L13-A335 HydrophobicContact CD2-CB 4.13Å; L13-A335 WeakPolarHBondContact CD2-O 3.23Å; L16-A335 HydrophobicContact CD1-CB 4.33Å; V300-A335 HydrophobicContact CG1-CB 4.24Å; P301-A335 HydrophobicContact CB-CB 4.25Å; P301-A335 HydrophobicContact CG-CB 4.36Å; P301-A335 VanDerWaalsContact O-CB 3.31Å; P301-A335 WeakPolarHBondContact O-CB 3.29Å; P301-A335 PolarHBondContact O-N 2.92Å; A335-G337 PolarHBondContact O-N 3.05Å |
| 336 | D | 85.4 | Confident | 75.8 | Confident | 58 Ų | 58 | 45 Ų | 45 | 31% | 0.31 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 1.8 | 171.3 | 66.3 | -7 | 0 | 0 | 0 | 113.1 | F8 V300 C334 S338 | F8-D336 HydrophobicContact CZ-CB 3.98Å; V300-D336 HydrophobicContact CG1-CB 3.88Å; V300-D336 HydrophobicContact CG2-CB 4.47Å; C334-D336 WeakPolarHBondContact CB-OD1 3.29Å; C334-D336 PolarHBondContact O-N 2.85Å; D336-S338 VanDerWaalsContact C-N 3.34Å; D336-S338 VanDerWaalsContact OD1-CB 3.31Å; D336-S338 WeakPolarHBondContact OD1-CB 3.36Å; D336-S338 PolarHBondContact OD1-N 2.92Å; D336-S338 PolarHBondContact OD1-OG 2.85Å; D336-S338 PolarHBondContact OD2-OG 2.83Å |
| 337 | G | 82.9 | Confident | 75.9 | Confident | 68 Ų | 68 | 48.5 Ų | 48.5 | 70% | 0.701 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 87.3 | -1.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | C334 A335 | C334-G337 PolarHBondContact O-N 2.8Å; A335-G337 PolarHBondContact O-N 3.05Å |
| 338 | S | 86.4 | Confident | 75.5 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 16% | 0.161 | 28% | 0.282 | C | S | . | . | trans | -72.8 | 144.7 | 175 | 64.9 | 0 | 0 | 0 | 0 | 112.1 | C334 D336 Y340 | C334-S338 WeakPolarHBondContact CB-O 3.36Å; C334-S338 WeakPolarHBondContact CB-OG 3.32Å; C334-S338 PolarHBondContact N-O 2.78Å; C334-S338 PolarHBondContact SG-OG 3.48Å; D336-S338 VanDerWaalsContact C-N 3.34Å; D336-S338 VanDerWaalsContact OD1-CB 3.31Å; D336-S338 WeakPolarHBondContact OD1-CB 3.36Å; D336-S338 PolarHBondContact OD1-N 2.92Å; D336-S338 PolarHBondContact OD1-OG 2.85Å; D336-S338 PolarHBondContact OD2-OG 2.83Å; S338-Y340 WeakPolarHBondContact OG-CE2 3.15Å | ||
| 339 | Y | 86.7 | Confident | 74.8 | Confident | 55 Ų | 55 | 64.4 Ų | 64.4 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 135.6 | -179.7 | 171.5 | -84.7 | 0 | 0 | 0 | 109.6 | T38 L41 V331 V332 I333 N341 | T38-Y339 PolarHBondContact O-OH 3.43Å; L41-Y339 HydrophobicContact CB-CE1 4.33Å; L41-Y339 HydrophobicContact CD1-CD2 3.82Å; L41-Y339 HydrophobicContact CD1-CE2 3.99Å; L41-Y339 HydrophobicContact CD1-CG 4.26Å; L41-Y339 HydrophobicContact CD2-CD1 3.87Å; L41-Y339 HydrophobicContact CD2-CD2 4.12Å; L41-Y339 HydrophobicContact CD2-CE1 4.49Å; L41-Y339 HydrophobicContact CD2-CG 3.69Å; L41-Y339 HydrophobicContact CG-CD2 4.45Å; L41-Y339 HydrophobicContact CG-CG 4.45Å; V331-Y339 HydrophobicContact CG1-CD2 4.23Å; V331-Y339 HydrophobicContact CG1-CE2 3.38Å; V332-Y339 WeakPolarHBondContact O-CA 3.36Å; I333-Y339 HydrophobicContact CG2-CD2 3.85Å; I333-Y339 HydrophobicContact CG2-CE2 4.39Å; Y339-N341 HydrophobicContact CE1-CB 4.32Å |
| 340 | Y | 85.1 | Confident | 73.6 | Confident | 59 Ų | 59 | 75.5 Ų | 75.5 | 23% | 0.231 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142.7 | 177.9 | -53 | -77 | 0 | 0 | 0 | 111.3 | V291 P292 V331 V332 S338 | V291-Y340 HydrophobicContact CG1-CD2 3.89Å; V291-Y340 HydrophobicContact CG1-CE2 3.81Å; P292-Y340 HydrophobicContact CB-CE1 3.91Å; P292-Y340 HydrophobicContact CG-CD1 3.96Å; P292-Y340 HydrophobicContact CG-CE1 3.6Å; P292-Y340 HydrophobicContact CG-CE2 4.44Å; V331-Y340 CarbonylContact C-O 3.52Å; V331-Y340 WeakPolarHBondContact CA-O 3.39Å; V332-Y340 PolarHBondContact N-O 3.37Å; V332-Y340 PolarHBondContact O-N 2.88Å; S338-Y340 WeakPolarHBondContact OG-CE2 3.15Å |
| 341 | N | 81.1 | Confident | 72.3 | Confident | 75 Ų | 75 | 77.8 Ų | 77.8 | 40% | 0.401 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130 | 167.5 | -171.4 | -19.1 | 0 | 0 | 0 | 108.7 | I330 Y339 | I330-N341 CarbonylContact O-C 3.52Å; I330-N341 WeakPolarHBondContact O-CA 3.44Å; Y339-N341 HydrophobicContact CE1-CB 4.32Å |
| 342 | A | 71 | Confident | 71.1 | Confident | 24 Ų | 24 | 82.8 Ų | 82.8 | 20% | 0.198 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 131.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | I289 I330 | I289-A342 HydrophobicContact CD1-CB 4.05Å; I289-A342 HydrophobicContact CG2-CB 4.27Å; I330-A342 WeakPolarHBondContact CB-O 3.3Å; I330-A342 PolarHBondContact N-O 3.28Å; I330-A342 PolarHBondContact O-N 2.62Å |
| 343 | E | 66.4 | Low | 70.2 | Confident | 157 Ų | 157 | 86.6 Ų | 86.6 | 73% | 0.734 | 42% | 0.421 | S | S | * | . | trans | -78.5 | 137.2 | 167.9 | -64.8 | -179.2 | 177.6 | 0 | 0 | 110.5 | L345 | E343-L345 PolarHBondContact O-N 3.08Š| ||
| 344 | P | 59.2 | Low | 69.7 | Low | 10 Ų | 10 | 89.2 Ų | 89.2 | 7% | 0.065 | 44% | 0.443 | C | S | . | . | trans | -64.9 | 105.1 | 178.4 | 24.3 | -32 | 0 | 0 | 0 | 109.7 | T287 D328 I330 K346 | T287-P344 HydrophobicContact CG2-CB 3.98Å; D328-P344 HydrophobicContact CB-CG 4.27Å; D328-P344 WeakPolarHBondContact O-CD 3.12Å; D328-P344 WeakPolarHBondContact O-CG 3.36Å; I330-P344 HydrophobicContact CD1-CB 4.37Å; P344-K346 PolarHBondContact O-N 3.46Å; P344-K346 VanDerWaalsContact O-N 3.14Å | ||
| 345 | L | 55.8 | Low | 69.2 | Low | 110 Ų | 110 | 92.7 Ų | 92.7 | 58% | 0.576 | 46% | 0.461 | S | S | * | . | trans | -52 | 122.7 | 178.1 | -66.6 | 169.3 | 0 | 0 | 0 | 110.3 | E343 K347 | E343-L345 PolarHBondContact O-N 3.08Å; L345-K347 PolarHBondContact O-N 3.17Å | ||
| 346 | K | 52.5 | Low | 68.5 | Low | 132 Ų | 132 | 96.6 Ų | 96.6 | 57% | 0.574 | 48% | 0.481 | S | S | * | . | trans | -52.1 | 125.7 | 167.5 | -69.4 | -178.8 | 180 | 176.5 | 0 | 108 | N322 L324 P344 K348 | N322-K346 PolarHBondContact O-NZ 3.27Å; L324-K346 HydrophobicContact CD1-CG 4.39Å; P344-K346 PolarHBondContact O-N 3.46Å; P344-K346 VanDerWaalsContact O-N 3.14Å; K346-K348 PolarHBondContact O-N 2.95Å | ||
| 347 | K | 48.1 | Very low | 68.2 | Low | 156 Ų | 156 | 102 Ų | 102 | 68% | 0.678 | 50% | 0.497 | S | S | * | . | trans | -49.5 | 101.8 | -179.7 | -175.9 | 178.5 | -178.5 | 178.4 | 0 | 110.3 | F286 L345 R349 | F286-K347 HydrophobicContact CD2-CB 4.31Å; F286-K347 HydrophobicContact CE2-CB 3.9Å; F286-K347 HydrophobicContact CZ-CB 4.16Å; L345-K347 PolarHBondContact O-N 3.17Å; K347-R349 PolarHBondContact O-N 3.28Å | ||
| 348 | K | 47.1 | Very low | 68.4 | Low | 181 Ų | 181 | 101.5 Ų | 101.5 | 79% | 0.787 | 49% | 0.486 | S | S | * | . | trans | -66.9 | 130.7 | 172.8 | -67.9 | -177.6 | -178.8 | 175.1 | 0 | 107.7 | K346 R350 | K346-K348 PolarHBondContact O-N 2.95Å; K348-R350 PolarHBondContact O-N 3.33Å | ||
| 349 | R | 53.2 | Low | 68.5 | Low | 217 Ų | 217 | 108.3 Ų | 108.3 | 82% | 0.819 | 51% | 0.508 | S | S | * | . | trans | -53.6 | 124.5 | 174.5 | -173.7 | 173 | 68.6 | -168.2 | 2.4 | 108.5 | K347 V351 | K347-R349 PolarHBondContact O-N 3.28Å; R349-V351 WeakPolarHBondContact O-CG2 3.34Å; R349-V351 PolarHBondContact O-N 3.29Å; R349-V351 VanDerWaalsContact O-N 3.11Å | ||
| 350 | R | 53 | Low | 68.3 | Low | 247 Ų | 247 | 111 Ų | 111 | 93% | 0.932 | 53% | 0.526 | S | S | * | . | trans | -63.8 | 113.3 | 176.3 | -156.9 | 178.6 | -148 | 178.9 | 4.6 | 107.2 | K348 | K348-R350 PolarHBondContact O-N 3.33Š| ||
| 351 | V | 58.2 | Low | 68.4 | Low | 48 Ų | 48 | 112.9 Ų | 112.9 | 29% | 0.291 | 54% | 0.537 | S | S | . | . | trans | -97.8 | 140.1 | 176.2 | -175.4 | 0 | 0 | 0 | 0 | 107.1 | R349 I355 I356 | R349-V351 WeakPolarHBondContact O-CG2 3.34Å; R349-V351 PolarHBondContact O-N 3.29Å; R349-V351 VanDerWaalsContact O-N 3.11Å; V351-I355 HydrophobicContact CG1-CB 3.84Å; V351-I355 HydrophobicContact CG1-CD1 4.37Å; V351-I355 HydrophobicContact CG1-CG2 3.67Å; V351-I356 HydrophobicContact CB-CD1 4.23Å; V351-I356 HydrophobicContact CB-CG1 4.12Å; V351-I356 HydrophobicContact CG1-CG1 4.1Å | ||
| 352 | D | 63.3 | Low | 68.9 | Low | 106 Ų | 106 | 118.4 Ų | 118.4 | 57% | 0.567 | 55% | 0.552 | S | S | * | * | trans | -54.4 | 136.2 | 179.5 | -77.2 | -49 | 0 | 0 | 0 | 111.7 | A354 I355 I356 | D352-A354 PolarHBondContact O-N 2.87Å; D352-A354 VanDerWaalsContact O-N 3.13Å; D352-I355 HydrophobicContact CB-CB 4.39Å; D352-I355 HydrophobicContact CB-CD1 3.93Å; D352-I355 HydrophobicContact CB-CG1 4Å; D352-I355 WeakPolarHBondContact O-CB 3.49Å; D352-I355 PolarHBondContact O-N 2.9Å; D352-I356 PolarHBondContact O-N 2.8Å | ||
| 353 | P | 71.2 | Confident | 69.8 | Low | 84 Ų | 84 | 124.6 Ų | 124.6 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -56.2 | -32.1 | 178.7 | -23.1 | 31.4 | 0 | 0 | 0 | 112.5 | I356 R357 | P353-I356 PolarHBondContact O-N 3.18Å; P353-R357 WeakPolarHBondContact O-CB 3.41Å; P353-R357 WeakPolarHBondContact O-CG 3.47Å; P353-R357 PolarHBondContact O-N 2.77Å |
| 354 | A | 79 | Confident | 70.9 | Confident | 60 Ų | 60 | 123.5 Ų | 123.5 | 50% | 0.496 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.3 | -41.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D352 I356 R357 A358 | D352-A354 PolarHBondContact O-N 2.87Å; D352-A354 VanDerWaalsContact O-N 3.13Å; A354-I356 VanDerWaalsContact C-N 3.34Å; A354-R357 PolarHBondContact O-N 2.99Å; A354-A358 WeakPolarHBondContact O-CB 3.28Å; A354-A358 PolarHBondContact O-N 2.95Å |
| 355 | I | 79.3 | Confident | 72.4 | Confident | 76 Ų | 76 | 130.1 Ų | 130.1 | 39% | 0.39 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.9 | -38.3 | 176.2 | -62.9 | 172.2 | 0 | 0 | 0 | 110.5 | V351 D352 R359 | V351-I355 HydrophobicContact CG1-CB 3.84Å; V351-I355 HydrophobicContact CG1-CD1 4.37Å; V351-I355 HydrophobicContact CG1-CG2 3.67Å; D352-I355 HydrophobicContact CB-CB 4.39Å; D352-I355 HydrophobicContact CB-CD1 3.93Å; D352-I355 HydrophobicContact CB-CG1 4Å; D352-I355 WeakPolarHBondContact O-CB 3.49Å; D352-I355 PolarHBondContact O-N 2.9Å; I355-R359 WeakPolarHBondContact O-CB 3.1Å; I355-R359 WeakPolarHBondContact O-CG 3.43Å; I355-R359 PolarHBondContact O-N 3.12Å |
| 356 | I | 74.4 | Confident | 74 | Confident | 83 Ų | 83 | 131.5 Ų | 131.5 | 43% | 0.426 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.4 | -46.9 | 176.3 | -62.6 | 170.3 | 0 | 0 | 0 | 110.2 | V351 D352 P353 A354 R359 L360 | V351-I356 HydrophobicContact CB-CD1 4.23Å; V351-I356 HydrophobicContact CB-CG1 4.12Å; V351-I356 HydrophobicContact CG1-CG1 4.1Å; D352-I356 PolarHBondContact O-N 2.8Å; P353-I356 PolarHBondContact O-N 3.18Å; A354-I356 VanDerWaalsContact C-N 3.34Å; I356-R359 PolarHBondContact O-N 3.2Å; I356-L360 HydrophobicContact CG2-CD1 4.22Å; I356-L360 PolarHBondContact O-N 3.04Å |
| 357 | R | 78.8 | Confident | 75.4 | Confident | 171 Ų | 171 | 130.7 Ų | 130.7 | 65% | 0.645 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.6 | -47.7 | 175.5 | -77.2 | -173 | -75.7 | -157.7 | 1.5 | 112 | P353 A354 R359 L360 E361 | P353-R357 WeakPolarHBondContact O-CB 3.41Å; P353-R357 WeakPolarHBondContact O-CG 3.47Å; P353-R357 PolarHBondContact O-N 2.77Å; A354-R357 PolarHBondContact O-N 2.99Å; R357-R359 VanDerWaalsContact C-N 3.33Å; R357-R359 PolarHBondContact O-N 2.94Å; R357-L360 PolarHBondContact O-N 2.88Å; R357-E361 WeakPolarHBondContact O-CB 3.29Å; R357-E361 PolarHBondContact O-N 3.42Å |
| 358 | A | 86.7 | Confident | 77.3 | Confident | 57 Ų | 57 | 127.5 Ų | 127.5 | 47% | 0.471 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.6 | -39 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A354 R362 | A354-A358 WeakPolarHBondContact O-CB 3.28Å; A354-A358 PolarHBondContact O-N 2.95Å; A358-R362 VanDerWaalsContact O-CB 3.27Å; A358-R362 WeakPolarHBondContact O-CB 3.45Å; A358-R362 PolarHBondContact O-N 3.07Å |
| 359 | R | 88 | Confident | 79.3 | Confident | 167 Ų | 167 | 126.2 Ų | 126.2 | 63% | 0.63 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.9 | -42.8 | 174.2 | -82 | -180 | 173.8 | -176.2 | -2.4 | 112.4 | I355 I356 R357 R362 K363 | I355-R359 WeakPolarHBondContact O-CB 3.1Å; I355-R359 WeakPolarHBondContact O-CG 3.43Å; I355-R359 PolarHBondContact O-N 3.12Å; I356-R359 PolarHBondContact O-N 3.2Å; R357-R359 VanDerWaalsContact C-N 3.33Å; R357-R359 PolarHBondContact O-N 2.94Å; R359-R362 PolarHBondContact O-N 3.06Å; R359-K363 PolarHBondContact O-N 2.56Å |
| 360 | L | 82.1 | Confident | 80.6 | Confident | 112 Ų | 112 | 119.4 Ų | 119.4 | 59% | 0.586 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.5 | -45.7 | 175.8 | -87.2 | 166.7 | 0 | 0 | 0 | 111 | I356 R357 R362 K363 K364 | I356-L360 HydrophobicContact CG2-CD1 4.22Å; I356-L360 PolarHBondContact O-N 3.04Å; R357-L360 PolarHBondContact O-N 2.88Å; L360-R362 PolarHBondContact O-N 2.88Å; L360-K363 WeakPolarHBondContact O-CB 3.41Å; L360-K363 PolarHBondContact O-N 2.97Å; L360-K364 PolarHBondContact O-N 2.91Å |
| 361 | E | 89 | Confident | 81.8 | Confident | 98 Ų | 98 | 111.6 Ų | 111.6 | 46% | 0.458 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.6 | -38.5 | 179.8 | -163.4 | 171.9 | 160.5 | 0 | 0 | 112.1 | R357 K363 K364 R365 | R357-E361 WeakPolarHBondContact O-CB 3.29Å; R357-E361 PolarHBondContact O-N 3.42Å; E361-K363 VanDerWaalsContact C-N 3.32Å; E361-K363 PolarHBondContact O-N 2.86Å; E361-K364 PolarHBondContact O-N 2.87Å; E361-R365 WeakPolarHBondContact O-CG 3.45Å; E361-R365 PolarHBondContact O-N 3.03Å; E361-R365 IonicContact OE1-CZ 3.02Å; E361-R365 IonicContact OE1-NE 3.67Å; E361-R365 IonicContact OE1-NH2 2.73Å; E361-R365 PolarHBondContact OE1-NH2 3.34Å |
| 362 | R | 91.3 | Very high | 82.9 | Confident | 190 Ų | 190 | 118.4 Ų | 118.4 | 72% | 0.717 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.6 | -36.4 | 173.8 | -153.8 | 174.7 | -164.9 | 179.9 | 4.2 | 111.9 | A358 R359 L360 K366 | A358-R362 VanDerWaalsContact O-CB 3.27Å; A358-R362 WeakPolarHBondContact O-CB 3.45Å; A358-R362 PolarHBondContact O-N 3.07Å; R359-R362 PolarHBondContact O-N 3.06Å; L360-R362 PolarHBondContact O-N 2.88Å; R362-K366 WeakPolarHBondContact O-CG 3.2Å; R362-K366 PolarHBondContact O-N 3.26Å; R362-K366 VanDerWaalsContact O-N 3.14Å |
| 363 | K | 88.7 | Confident | 83.6 | Confident | 155 Ų | 155 | 118.2 Ų | 118.2 | 67% | 0.674 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.6 | -45.3 | 171.9 | -81.1 | -174 | 174.9 | -172.2 | 0 | 111.3 | R359 L360 E361 K366 L367 | R359-K363 PolarHBondContact O-N 2.56Å; L360-K363 WeakPolarHBondContact O-CB 3.41Å; L360-K363 PolarHBondContact O-N 2.97Å; E361-K363 VanDerWaalsContact C-N 3.32Å; E361-K363 PolarHBondContact O-N 2.86Å; K363-K366 PolarHBondContact O-N 3.1Å; K363-L367 PolarHBondContact O-N 3.04Å |
| 364 | K | 89.7 | Confident | 83.4 | Confident | 133 Ų | 133 | 118 Ų | 118 | 58% | 0.578 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -57.9 | -50.1 | 177.7 | -168.7 | -178.7 | 178.1 | -174.7 | 0 | 111.3 | L360 E361 K366 L367 E368 | L360-K364 PolarHBondContact O-N 2.91Å; E361-K364 PolarHBondContact O-N 2.87Å; K364-K366 VanDerWaalsContact C-N 3.3Å; K364-K366 PolarHBondContact O-N 2.81Å; K364-L367 PolarHBondContact O-N 2.78Å; K364-L367 VanDerWaalsContact O-N 3.14Å; K364-E368 VanDerWaalsContact CE-OE1 3.28Å; K364-E368 WeakPolarHBondContact CE-OE1 3.3Å; K364-E368 WeakPolarHBondContact O-CG 3.39Å; K364-E368 PolarHBondContact O-N 3.24Å |
| 365 | R | 90.9 | Very high | 83.2 | Confident | 149 Ų | 149 | 122.7 Ų | 122.7 | 56% | 0.562 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.7 | -36.2 | 176.5 | -68.7 | 178.3 | -170.2 | -162.8 | 4.3 | 112.9 | E361 K369 | E361-R365 WeakPolarHBondContact O-CG 3.45Å; E361-R365 PolarHBondContact O-N 3.03Å; E361-R365 IonicContact OE1-CZ 3.02Å; E361-R365 IonicContact OE1-NE 3.67Å; E361-R365 IonicContact OE1-NH2 2.73Å; E361-R365 PolarHBondContact OE1-NH2 3.34Å; R365-K369 VanDerWaalsContact O-CG 3.3Å; R365-K369 WeakPolarHBondContact O-CG 3.4Å; R365-K369 PolarHBondContact O-N 2.97Å |
| 366 | K | 90.3 | Very high | 83 | Confident | 140 Ų | 140 | 129.7 Ų | 129.7 | 61% | 0.609 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.4 | -48.2 | 174 | -78.6 | -175.8 | -179.5 | -167.4 | 0 | 110.9 | R362 K363 K364 E368 K369 T370 | R362-K366 WeakPolarHBondContact O-CG 3.2Å; R362-K366 PolarHBondContact O-N 3.26Å; R362-K366 VanDerWaalsContact O-N 3.14Å; K363-K366 PolarHBondContact O-N 3.1Å; K364-K366 VanDerWaalsContact C-N 3.3Å; K364-K366 PolarHBondContact O-N 2.81Å; K366-E368 VanDerWaalsContact C-N 3.34Å; K366-E368 PolarHBondContact O-N 3.4Å; K366-K369 WeakPolarHBondContact O-CB 3.21Å; K366-K369 PolarHBondContact O-N 3Å; K366-T370 PolarHBondContact O-N 2.87Å; K366-T370 PolarHBondContact O-OG1 2.69Å |
| 367 | L | 81.2 | Confident | 82.5 | Confident | 115 Ų | 115 | 132.2 Ų | 132.2 | 60% | 0.602 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.6 | -43.8 | -179.7 | -147.6 | 82.5 | 0 | 0 | 0 | 111.3 | K363 K364 K369 T370 I371 | K363-L367 PolarHBondContact O-N 3.04Å; K364-L367 PolarHBondContact O-N 2.78Å; K364-L367 VanDerWaalsContact O-N 3.14Å; L367-K369 PolarHBondContact O-N 3.11Å; L367-T370 PolarHBondContact O-N 2.94Å; L367-I371 HydrophobicContact CD2-CD1 4.39Å; L367-I371 HydrophobicContact CG-CD1 4.36Å; L367-I371 WeakPolarHBondContact O-CB 3.3Å; L367-I371 VanDerWaalsContact O-CG1 3.28Å; L367-I371 WeakPolarHBondContact O-CG1 3.39Å; L367-I371 PolarHBondContact O-N 2.91Å |
| 368 | E | 89.1 | Confident | 81.4 | Confident | 88 Ų | 88 | 126.8 Ų | 126.8 | 41% | 0.411 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.5 | -41.1 | 175.5 | -76 | 170.3 | -178.5 | 0 | 0 | 112.5 | K364 K366 I371 R372 | K364-E368 VanDerWaalsContact CE-OE1 3.28Å; K364-E368 WeakPolarHBondContact CE-OE1 3.3Å; K364-E368 WeakPolarHBondContact O-CG 3.39Å; K364-E368 PolarHBondContact O-N 3.24Å; K366-E368 VanDerWaalsContact C-N 3.34Å; K366-E368 PolarHBondContact O-N 3.4Å; E368-I371 PolarHBondContact O-N 2.69Å; E368-R372 WeakPolarHBondContact O-CB 3.5Å; E368-R372 WeakPolarHBondContact O-CG 3.37Å; E368-R372 PolarHBondContact O-N 3.18Å |
| 369 | K | 87.6 | Confident | 80.1 | Confident | 155 Ų | 155 | 132.1 Ų | 132.1 | 67% | 0.674 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.2 | -42.5 | 174.4 | -74.1 | 178.8 | -177.7 | -167.4 | 0 | 111.6 | R365 K366 L367 R372 L373 | R365-K369 VanDerWaalsContact O-CG 3.3Å; R365-K369 WeakPolarHBondContact O-CG 3.4Å; R365-K369 PolarHBondContact O-N 2.97Å; K366-K369 WeakPolarHBondContact O-CB 3.21Å; K366-K369 PolarHBondContact O-N 3Å; L367-K369 PolarHBondContact O-N 3.11Å; K369-R372 PolarHBondContact O-N 2.99Å; K369-L373 PolarHBondContact O-N 3.09Å |
| 370 | T | 80.3 | Confident | 78.8 | Confident | 73 Ų | 73 | 133.6 Ų | 133.6 | 45% | 0.448 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.4 | -42.8 | 177.4 | -46.5 | 0 | 0 | 0 | 0 | 111.4 | K366 L367 R372 L373 I374 | K366-T370 PolarHBondContact O-N 2.87Å; K366-T370 PolarHBondContact O-OG1 2.69Å; L367-T370 PolarHBondContact O-N 2.94Å; T370-R372 PolarHBondContact O-N 2.98Å; T370-L373 WeakPolarHBondContact O-CB 3.49Å; T370-L373 PolarHBondContact O-N 2.87Å; T370-I374 HydrophobicContact CG2-CD1 4.03Å; T370-I374 VanDerWaalsContact O-CG1 3.32Å; T370-I374 WeakPolarHBondContact O-CG1 3.26Å; T370-I374 PolarHBondContact O-N 2.9Å |
| 371 | I | 78.4 | Confident | 77.8 | Confident | 84 Ų | 84 | 135 Ų | 135 | 43% | 0.431 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.3 | -44.2 | 175.1 | -68.9 | 165.5 | 0 | 0 | 0 | 110.4 | L367 E368 L373 I374 M375 | L367-I371 HydrophobicContact CD2-CD1 4.39Å; L367-I371 HydrophobicContact CG-CD1 4.36Å; L367-I371 WeakPolarHBondContact O-CB 3.3Å; L367-I371 VanDerWaalsContact O-CG1 3.28Å; L367-I371 WeakPolarHBondContact O-CG1 3.39Å; L367-I371 PolarHBondContact O-N 2.91Å; E368-I371 PolarHBondContact O-N 2.69Å; I371-L373 VanDerWaalsContact C-N 3.31Å; I371-L373 PolarHBondContact O-N 2.98Å; I371-I374 PolarHBondContact O-N 2.89Å; I371-M375 HydrophobicContact CG2-CG 4.19Å; I371-M375 WeakPolarHBondContact O-CB 3.3Å; I371-M375 WeakPolarHBondContact O-CG 3.4Å; I371-M375 PolarHBondContact O-N 3.04Å |
| 372 | R | 82.7 | Confident | 76.7 | Confident | 190 Ų | 190 | 137.7 Ų | 137.7 | 72% | 0.717 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.2 | -36.5 | 174.8 | -77.7 | -179.6 | -179.3 | 179.6 | 1.1 | 112.9 | E368 K369 T370 R376 | E368-R372 WeakPolarHBondContact O-CB 3.5Å; E368-R372 WeakPolarHBondContact O-CG 3.37Å; E368-R372 PolarHBondContact O-N 3.18Å; K369-R372 PolarHBondContact O-N 2.99Å; T370-R372 PolarHBondContact O-N 2.98Å; R372-R376 WeakPolarHBondContact O-CB 3.48Å; R372-R376 WeakPolarHBondContact O-CG 3.32Å; R372-R376 PolarHBondContact O-N 3.25Å |
| 373 | L | 77.1 | Confident | 75.6 | Confident | 102 Ų | 102 | 132.2 Ų | 132.2 | 53% | 0.534 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.2 | -45.4 | 176 | -165.8 | 79.1 | 0 | 0 | 0 | 111 | K369 T370 I371 R376 Q377 | K369-L373 PolarHBondContact O-N 3.09Å; T370-L373 WeakPolarHBondContact O-CB 3.49Å; T370-L373 PolarHBondContact O-N 2.87Å; I371-L373 VanDerWaalsContact C-N 3.31Å; I371-L373 PolarHBondContact O-N 2.98Å; L373-R376 PolarHBondContact O-N 3.5Å; L373-Q377 PolarHBondContact O-N 3.4Å |
| 374 | I | 66.7 | Low | 74.5 | Confident | 79 Ų | 79 | 132 Ų | 132 | 41% | 0.405 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.5 | -36.9 | 176.7 | -68 | 167.9 | 0 | 0 | 0 | 111.5 | T370 I371 R376 Q377 K379 | T370-I374 HydrophobicContact CG2-CD1 4.03Å; T370-I374 VanDerWaalsContact O-CG1 3.32Å; T370-I374 WeakPolarHBondContact O-CG1 3.26Å; T370-I374 PolarHBondContact O-N 2.9Å; I371-I374 PolarHBondContact O-N 2.89Å; I374-R376 VanDerWaalsContact C-N 3.34Å; I374-Q377 CarbonylContact O-C 3.48Å; I374-K379 HydrophobicContact CG2-CG 4.04Å |
| 375 | M | 75.2 | Confident | 73.4 | Confident | 159 Ų | 159 | 135 Ų | 135 | 78% | 0.783 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.9 | -36.4 | 174.8 | -73.3 | -80.3 | -159.1 | 0 | 0 | 111.7 | I371 | I371-M375 HydrophobicContact CG2-CG 4.19Å; I371-M375 WeakPolarHBondContact O-CB 3.3Å; I371-M375 WeakPolarHBondContact O-CG 3.4Å; I371-M375 PolarHBondContact O-N 3.04Å |
| 376 | R | 75.2 | Confident | 72.3 | Confident | 224 Ų | 224 | 133.9 Ų | 133.9 | 85% | 0.845 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -75 | -41.2 | 176.7 | -82.8 | -176.3 | 174 | -173.6 | -3 | 112.8 | R372 L373 I374 | R372-R376 WeakPolarHBondContact O-CB 3.48Å; R372-R376 WeakPolarHBondContact O-CG 3.32Å; R372-R376 PolarHBondContact O-N 3.25Å; L373-R376 PolarHBondContact O-N 3.5Å; I374-R376 VanDerWaalsContact C-N 3.34Å |
| 377 | Q | 63.7 | Low | 71.2 | Confident | 135 Ų | 135 | 132.6 Ų | 132.6 | 63% | 0.631 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -103.3 | 85.1 | 175.9 | -65.2 | -177.7 | -9.5 | 0 | 0 | 107.2 | L373 I374 K379 | L373-Q377 PolarHBondContact O-N 3.4Å; I374-Q377 CarbonylContact O-C 3.48Å; Q377-K379 PolarHBondContact O-N 3.23Å |
| 378 | G | 55.7 | Low | 70.6 | Confident | 57 Ų | 57 | 131.5 Ų | 131.5 | 59% | 0.588 | 65% | 0.646 | S | S | * | * | trans | -42.4 | 129 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | K380 | G378-K380 PolarHBondContact O-N 3.1Š| ||
| 379 | K | 58.9 | Low | 69.4 | Low | 170 Ų | 170 | 131.3 Ų | 131.3 | 74% | 0.739 | 65% | 0.651 | S | S | * | * | trans | -51.6 | 97.2 | -167.2 | -75.7 | 179.3 | 177.1 | 176 | 0 | 110.9 | I374 Q377 L381 | I374-K379 HydrophobicContact CG2-CG 4.04Å; Q377-K379 PolarHBondContact O-N 3.23Å; K379-L381 PolarHBondContact O-N 3.09Å | ||
| 380 | K | 60.9 | Low | 68.4 | Low | 197 Ų | 197 | 128.9 Ų | 128.9 | 86% | 0.857 | 65% | 0.646 | S | S | * | * | trans | -79 | 107.3 | 160.1 | -69 | -171.3 | 178.1 | -173.7 | 0 | 106.3 | G378 K382 | G378-K380 PolarHBondContact O-N 3.1Å; K380-K382 PolarHBondContact O-N 3.13Å | ||
| 381 | L | 61.5 | Low | 67.8 | Low | 141 Ų | 141 | 130.7 Ų | 130.7 | 74% | 0.738 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 124.4 | 172.7 | -65.8 | 171.3 | 0 | 0 | 0 | 107.9 | K379 | K379-L381 PolarHBondContact O-N 3.09Š|
| 382 | K | 65.6 | Low | 67.3 | Low | 155 Ų | 155 | 134.2 Ų | 134.2 | 67% | 0.674 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 137.8 | 172.2 | -67.6 | -175.6 | 177.5 | -171.3 | 0 | 108.4 | K380 | K380-K382 PolarHBondContact O-N 3.13Š|
| 383 | P | 68.1 | Low | 66.3 | Low | 75 Ų | 75 | 130 Ų | 130 | 49% | 0.487 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 143.1 | 170.7 | -20.5 | 30.2 | 0 | 0 | 0 | 110.6 | Q385 E386 | P383-Q385 PolarHBondContact O-N 2.98Å; P383-Q385 VanDerWaalsContact O-N 3.07Å; P383-E386 PolarHBondContact O-N 3.14Å |
| 384 | I | 65.4 | Low | 65.6 | Low | 151 Ų | 151 | 131 Ų | 131 | 77% | 0.774 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -53.3 | -34.7 | -178.3 | -69.7 | 165 | 0 | 0 | 0 | 111.6 | E386 I387 | I384-E386 PolarHBondContact O-N 2.91Å; I384-I387 HydrophobicContact CB-CD1 4.48Å; I384-I387 HydrophobicContact CG1-CD1 4.47Å; I384-I387 WeakPolarHBondContact O-CB 3.44Å; I384-I387 WeakPolarHBondContact O-CG1 3.46Å; I384-I387 PolarHBondContact O-N 2.95Å |
| 385 | Q | 66.3 | Low | 65.3 | Low | 195 Ų | 195 | 135 Ų | 135 | 91% | 0.911 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -67.7 | -18.6 | -178.5 | -162.7 | 161.7 | -8.4 | 0 | 0 | 113.9 | P383 | P383-Q385 PolarHBondContact O-N 2.98Å; P383-Q385 VanDerWaalsContact O-N 3.07Å |
| 386 | E | 67.6 | Low | 64.7 | Low | 127 Ų | 127 | 130 Ų | 130 | 59% | 0.593 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -96.1 | 1.7 | 176.7 | -63.8 | -175.8 | -178.1 | 0 | 0 | 113.4 | P383 I384 A388 | P383-E386 PolarHBondContact O-N 3.14Å; I384-E386 PolarHBondContact O-N 2.91Å; E386-A388 PolarHBondContact O-N 3.18Å |
| 387 | I | 69.2 | Low | 63.8 | Low | 113 Ų | 113 | 123.3 Ų | 123.3 | 58% | 0.579 | 63% | 0.629 | S | S | * | * | trans | -74 | 91.5 | 178.2 | -58.3 | 175.5 | 0 | 0 | 0 | 108.6 | I384 | I384-I387 HydrophobicContact CB-CD1 4.48Å; I384-I387 HydrophobicContact CG1-CD1 4.47Å; I384-I387 WeakPolarHBondContact O-CB 3.44Å; I384-I387 WeakPolarHBondContact O-CG1 3.46Å; I384-I387 PolarHBondContact O-N 2.95Å | ||
| 388 | A | 67.4 | Low | 63.6 | Low | 91 Ų | 91 | 123.5 Ų | 123.5 | 75% | 0.752 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 130.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | E386 | E386-A388 PolarHBondContact O-N 3.18Š|
| 389 | V | 64 | Low | 63.7 | Low | 85 Ų | 85 | 124.7 Ų | 124.7 | 52% | 0.515 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 139.8 | 170.6 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | N391 L393 | V389-N391 PolarHBondContact O-N 2.91Å; V389-L393 HydrophobicContact CG1-CB 4.22Å; V389-L393 HydrophobicContact CG1-CD2 4.06Å |
| 390 | D | 65.9 | Low | 63.6 | Low | 104 Ų | 104 | 122.8 Ų | 122.8 | 56% | 0.556 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 123.3 | 177.9 | -174.8 | -9.2 | 0 | 0 | 0 | 110.4 | K392 L393 F394 | D390-K392 PolarHBondContact O-N 3.14Å; D390-K392 VanDerWaalsContact O-N 3.08Å; D390-K392 WeakPolarHBondContact OD1-CB 3.42Å; D390-K392 PolarHBondContact OD1-N 3.31Å; D390-L393 WeakPolarHBondContact O-CA 3.38Å; D390-L393 WeakPolarHBondContact O-CB 3.33Å; D390-L393 PolarHBondContact O-N 2.85Å; D390-F394 PolarHBondContact O-N 3.03Å |
| 391 | N | 68.3 | Low | 63.2 | Low | 110 Ų | 110 | 118.7 Ų | 118.7 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -54.3 | -29.3 | 177.1 | -74.9 | -8.5 | 0 | 0 | 0 | 112.5 | V389 L393 F394 Y395 | V389-N391 PolarHBondContact O-N 2.91Å; N391-L393 PolarHBondContact O-N 3.24Å; N391-F394 WeakPolarHBondContact O-CB 3.34Å; N391-F394 PolarHBondContact O-N 3.08Å; N391-F394 VanDerWaalsContact O-N 3.17Å; N391-Y395 HydrophobicContact CB-CD2 4.46Å; N391-Y395 HydrophobicContact CB-CE2 4.29Å; N391-Y395 WeakPolarHBondContact O-CD2 3.43Å; N391-Y395 PolarHBondContact O-N 2.85Å |
| 392 | K | 68.5 | Low | 62.8 | Low | 158 Ų | 158 | 122.7 Ų | 122.7 | 69% | 0.687 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -60.6 | -34.6 | 173.1 | -84.1 | -178.1 | 174.2 | 175.9 | 0 | 112.9 | D390 F394 S396 | D390-K392 PolarHBondContact O-N 3.14Å; D390-K392 VanDerWaalsContact O-N 3.08Å; D390-K392 WeakPolarHBondContact OD1-CB 3.42Å; D390-K392 PolarHBondContact OD1-N 3.31Å; K392-F394 VanDerWaalsContact C-N 3.34Å; K392-S396 WeakPolarHBondContact O-CB 3.45Å; K392-S396 PolarHBondContact O-N 3.19Å |
| 393 | L | 62.3 | Low | 62.3 | Low | 102 Ų | 102 | 124 Ų | 124 | 53% | 0.534 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.3 | -39.4 | 177 | -143.7 | 86.3 | 0 | 0 | 0 | 110.3 | V389 D390 N391 S396 L397 | V389-L393 HydrophobicContact CG1-CB 4.22Å; V389-L393 HydrophobicContact CG1-CD2 4.06Å; D390-L393 WeakPolarHBondContact O-CA 3.38Å; D390-L393 WeakPolarHBondContact O-CB 3.33Å; D390-L393 PolarHBondContact O-N 2.85Å; N391-L393 PolarHBondContact O-N 3.24Å; L393-S396 PolarHBondContact O-N 3.31Å; L393-L397 WeakPolarHBondContact O-CB 3.37Å; L393-L397 PolarHBondContact O-N 3.33Å |
| 394 | F | 61.2 | Low | 62.3 | Low | 123 Ų | 123 | 125.3 Ų | 125.3 | 54% | 0.539 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -61.9 | -52.7 | 175.6 | -112 | -84.1 | 0 | 0 | 0 | 112.3 | D390 N391 K392 S396 L397 E398 | D390-F394 PolarHBondContact O-N 3.03Å; N391-F394 WeakPolarHBondContact O-CB 3.34Å; N391-F394 PolarHBondContact O-N 3.08Å; N391-F394 VanDerWaalsContact O-N 3.17Å; K392-F394 VanDerWaalsContact C-N 3.34Å; F394-S396 VanDerWaalsContact C-N 3.25Å; F394-S396 PolarHBondContact O-N 3.08Å; F394-L397 WeakPolarHBondContact O-CB 3.21Å; F394-L397 PolarHBondContact O-N 3.17Å; F394-L397 VanDerWaalsContact O-N 3.08Å; F394-E398 PolarHBondContact O-N 3.46Å; F394-E398 VanDerWaalsContact O-N 3.08Å |
| 395 | Y | 60.8 | Low | 62.5 | Low | 162 Ų | 162 | 129.7 Ų | 129.7 | 64% | 0.635 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.9 | -32.5 | 176.4 | -71.3 | -66.2 | 0 | 0 | 0 | 112.3 | N391 S399 | N391-Y395 HydrophobicContact CB-CD2 4.46Å; N391-Y395 HydrophobicContact CB-CE2 4.29Å; N391-Y395 WeakPolarHBondContact O-CD2 3.43Å; N391-Y395 PolarHBondContact O-N 2.85Å; Y395-S399 WeakPolarHBondContact O-CB 3.46Å; Y395-S399 PolarHBondContact O-N 3.35Å; Y395-S399 PolarHBondContact O-OG 2.82Å |
| 396 | S | 61.3 | Low | 63 | Low | 55 Ų | 55 | 123 Ų | 123 | 39% | 0.385 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.4 | -38.6 | 173.1 | -167.7 | 0 | 0 | 0 | 0 | 111.7 | K392 L393 F394 S399 L400 | K392-S396 WeakPolarHBondContact O-CB 3.45Å; K392-S396 PolarHBondContact O-N 3.19Å; L393-S396 PolarHBondContact O-N 3.31Å; F394-S396 VanDerWaalsContact C-N 3.25Å; F394-S396 PolarHBondContact O-N 3.08Å; S396-S399 WeakPolarHBondContact CA-OG 3.4Å; S396-S399 PolarHBondContact O-OG 2.96Å; S396-L400 VanDerWaalsContact O-CB 3.29Å; S396-L400 WeakPolarHBondContact O-CB 3.39Å; S396-L400 VanDerWaalsContact O-CD1 3.28Å; S396-L400 WeakPolarHBondContact O-CD1 3.11Å; S396-L400 WeakPolarHBondContact O-CG 3.43Å; S396-L400 PolarHBondContact O-N 3.08Å |
| 397 | L | 57.5 | Low | 63.9 | Low | 84 Ų | 84 | 124 Ų | 124 | 44% | 0.44 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.5 | -46.5 | 177.5 | -89.8 | 159.2 | 0 | 0 | 0 | 111.6 | L393 F394 L400 H401 | L393-L397 WeakPolarHBondContact O-CB 3.37Å; L393-L397 PolarHBondContact O-N 3.33Å; F394-L397 WeakPolarHBondContact O-CB 3.21Å; F394-L397 PolarHBondContact O-N 3.17Å; F394-L397 VanDerWaalsContact O-N 3.08Å; L397-L400 PolarHBondContact O-N 2.92Å; L397-H401 PolarHBondContact O-N 3.2Å; L397-H401 VanDerWaalsContact O-N 3.14Å; L397-H401 PolarHBondContact O-ND1 2.74Å; L397-H401 VanDerWaalsContact O-ND1 3.08Å |
| 398 | E | 58.6 | Low | 64.8 | Low | 138 Ų | 138 | 126 Ų | 126 | 65% | 0.645 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.4 | -44.6 | 176.3 | -88.4 | -178.8 | 159.4 | 0 | 0 | 112.5 | F394 L400 H401 | F394-E398 PolarHBondContact O-N 3.46Å; F394-E398 VanDerWaalsContact O-N 3.08Å; E398-L400 PolarHBondContact O-N 2.77Å; E398-H401 PolarHBondContact O-N 2.83Å |
| 399 | S | 59.5 | Low | 65.8 | Low | 83 Ų | 83 | 128.6 Ų | 128.6 | 58% | 0.58 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.9 | -19.3 | 179.1 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | Y395 S396 | Y395-S399 WeakPolarHBondContact O-CB 3.46Å; Y395-S399 PolarHBondContact O-N 3.35Å; Y395-S399 PolarHBondContact O-OG 2.82Å; S396-S399 WeakPolarHBondContact CA-OG 3.4Å; S396-S399 PolarHBondContact O-OG 2.96Å |
| 400 | L | 56 | Low | 66.8 | Low | 129 Ų | 129 | 128 Ų | 128 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -83.4 | -24.9 | 172.6 | -74.7 | 166.7 | 0 | 0 | 0 | 112.6 | S396 L397 E398 R402 | S396-L400 VanDerWaalsContact O-CB 3.29Å; S396-L400 WeakPolarHBondContact O-CB 3.39Å; S396-L400 VanDerWaalsContact O-CD1 3.28Å; S396-L400 WeakPolarHBondContact O-CD1 3.11Å; S396-L400 WeakPolarHBondContact O-CG 3.43Å; S396-L400 PolarHBondContact O-N 3.08Å; L397-L400 PolarHBondContact O-N 2.92Å; E398-L400 PolarHBondContact O-N 2.77Å; L400-R402 PolarHBondContact O-N 2.83Å |
| 401 | H | 52 | Low | 67.7 | Low | 111 Ų | 111 | 127.7 Ų | 127.7 | 51% | 0.514 | 60% | 0.601 | S | S | . | * | trans | -80.8 | 63.9 | 177.2 | -70.5 | 135.8 | 0 | 0 | 0 | 112.4 | L397 E398 F403 | L397-H401 PolarHBondContact O-N 3.2Å; L397-H401 VanDerWaalsContact O-N 3.14Å; L397-H401 PolarHBondContact O-ND1 2.74Å; L397-H401 VanDerWaalsContact O-ND1 3.08Å; E398-H401 PolarHBondContact O-N 2.83Å; H401-F403 VanDerWaalsContact C-N 3.34Å; H401-F403 HydrophobicContact CB-CD2 4.22Å; H401-F403 HydrophobicContact CB-CE2 3.98Å; H401-F403 AromaticContact CD2-CE2 3.98Å; H401-F403 PolarHBondContact O-N 2.89Å; H401-F403 VanDerWaalsContact O-N 3.13Å | ||
| 402 | R | 53.8 | Low | 68.9 | Low | 226 Ų | 226 | 127.6 Ų | 127.6 | 85% | 0.853 | 60% | 0.601 | S | S | * | * | trans | -78.7 | 86.3 | 160.9 | -74.8 | -177.7 | -179.1 | 172.1 | -0.8 | 109 | L400 S404 | L400-R402 PolarHBondContact O-N 2.83Å; R402-S404 PolarHBondContact O-N 2.97Å; R402-S404 VanDerWaalsContact O-N 3.09Å | ||
| 403 | F | 55.5 | Low | 69.9 | Low | 183 Ų | 183 | 126.7 Ų | 126.7 | 80% | 0.803 | 60% | 0.599 | S | S | * | * | trans | -74.9 | 93.3 | 162.5 | -68.9 | -79.8 | 0 | 0 | 0 | 108.4 | H401 R405 | H401-F403 VanDerWaalsContact C-N 3.34Å; H401-F403 HydrophobicContact CB-CD2 4.22Å; H401-F403 HydrophobicContact CB-CE2 3.98Å; H401-F403 AromaticContact CD2-CE2 3.98Å; H401-F403 PolarHBondContact O-N 2.89Å; H401-F403 VanDerWaalsContact O-N 3.13Å; F403-R405 PolarHBondContact O-N 3.44Å | ||
| 404 | S | 67.3 | Low | 71.3 | Confident | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 59% | 0.594 | S | S | * | * | trans | -65.8 | 119.2 | 152.5 | 45.9 | 0 | 0 | 0 | 0 | 106.6 | R402 I406 | R402-S404 PolarHBondContact O-N 2.97Å; R402-S404 VanDerWaalsContact O-N 3.09Å; S404-I406 PolarHBondContact O-N 3.11Å | ||
| 405 | R | 69.7 | Low | 72.8 | Confident | 244 Ų | 244 | 124.5 Ų | 124.5 | 92% | 0.921 | 59% | 0.587 | S | S | * | * | trans | -57.6 | 108.6 | 175 | -151.5 | 177.7 | -169.2 | -178 | 1.5 | 107.1 | F403 K407 | F403-R405 PolarHBondContact O-N 3.44Å; R405-K407 PolarHBondContact O-N 2.85Å | ||
| 406 | I | 76.2 | Confident | 74.3 | Confident | 54 Ų | 54 | 121.9 Ų | 121.9 | 28% | 0.277 | 58% | 0.583 | S | S | . | * | trans | -62.6 | 133.3 | -178.5 | -63.4 | 157.1 | 0 | 0 | 0 | 107.1 | S404 E410 Q411 | S404-I406 PolarHBondContact O-N 3.11Å; I406-E410 HydrophobicContact CG2-CB 3.62Å; I406-E410 HydrophobicContact CG2-CG 3.7Å; I406-Q411 HydrophobicContact CB-CG 4.1Å; I406-Q411 HydrophobicContact CG2-CG 3.71Å; I406-Q411 PolarHBondContact O-NE2 2.85Å; I406-Q411 VanDerWaalsContact O-NE2 3.08Å | ||
| 407 | K | 86 | Confident | 75.7 | Confident | 149 Ų | 149 | 122.6 Ų | 122.6 | 65% | 0.648 | 58% | 0.58 | S | S | * | * | trans | -58.8 | 146.6 | 176.9 | -68 | -178 | 177.5 | -176.8 | 0 | 109.7 | R405 E409 E410 Q411 | R405-K407 PolarHBondContact O-N 2.85Å; K407-E409 VanDerWaalsContact C-N 3.26Å; K407-E409 PolarHBondContact O-N 2.8Å; K407-E410 HydrophobicContact CB-CB 4.4Å; K407-E410 PolarHBondContact O-N 3.42Å; K407-Q411 PolarHBondContact O-N 2.98Å | ||
| 408 | E | 88.2 | Confident | 77.5 | Confident | 154 Ų | 154 | 123.6 Ų | 123.6 | 72% | 0.72 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -56.8 | -41.9 | -179.8 | -163.5 | 167 | -171.5 | 0 | 0 | 111.6 | E410 Q411 D412 | E408-E410 VanDerWaalsContact C-N 3.31Å; E408-E410 PolarHBondContact O-N 3.5Å; E408-Q411 WeakPolarHBondContact O-CA 3.2Å; E408-Q411 WeakPolarHBondContact O-CB 3.49Å; E408-Q411 PolarHBondContact O-N 3.18Å; E408-D412 PolarHBondContact O-N 3.02Å |
| 409 | E | 89.2 | Confident | 79.3 | Confident | 145 Ų | 145 | 123.6 Ų | 123.6 | 68% | 0.678 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -53.8 | -44.1 | 172.3 | -63.2 | 170.9 | 169.3 | 0 | 0 | 112.8 | K407 Q411 D412 E413 | K407-E409 VanDerWaalsContact C-N 3.26Å; K407-E409 PolarHBondContact O-N 2.8Å; E409-Q411 VanDerWaalsContact C-N 3.33Å; E409-Q411 PolarHBondContact O-N 2.91Å; E409-D412 PolarHBondContact O-N 2.81Å; E409-E413 WeakPolarHBondContact O-CG 3.21Å; E409-E413 PolarHBondContact O-N 2.92Å |
| 410 | E | 84.3 | Confident | 80.9 | Confident | 74 Ų | 74 | 125.4 Ų | 125.4 | 35% | 0.346 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.7 | -27.7 | 179.6 | -172.2 | -172.8 | 162.7 | 0 | 0 | 111.4 | I406 K407 E408 R414 | I406-E410 HydrophobicContact CG2-CB 3.62Å; I406-E410 HydrophobicContact CG2-CG 3.7Å; K407-E410 HydrophobicContact CB-CB 4.4Å; K407-E410 PolarHBondContact O-N 3.42Å; E408-E410 VanDerWaalsContact C-N 3.31Å; E408-E410 PolarHBondContact O-N 3.5Å; E410-R414 WeakPolarHBondContact O-CB 3.32Å; E410-R414 WeakPolarHBondContact O-CD 3.42Å; E410-R414 WeakPolarHBondContact O-CG 3.26Å; E410-R414 PolarHBondContact O-N 2.76Å; E410-R414 VanDerWaalsContact O-N 3.08Å; E410-R414 IonicContact OE1-CZ 2.83Å; E410-R414 IonicContact OE1-NE 2.88Å; E410-R414 PolarHBondContact OE1-NE 3.28Å; E410-R414 IonicContact OE1-NH2 3.51Å; E410-R414 PolarHBondContact OE1-NH2 3.41Å |
| 411 | Q | 85.9 | Confident | 82.6 | Confident | 96 Ų | 96 | 123.8 Ų | 123.8 | 45% | 0.449 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70.1 | -39.1 | 172.4 | -63.5 | -178.1 | 21.9 | 0 | 0 | 111.7 | I406 K407 E408 E409 R414 T415 | I406-Q411 HydrophobicContact CB-CG 4.1Å; I406-Q411 HydrophobicContact CG2-CG 3.71Å; I406-Q411 PolarHBondContact O-NE2 2.85Å; I406-Q411 VanDerWaalsContact O-NE2 3.08Å; K407-Q411 PolarHBondContact O-N 2.98Å; E408-Q411 WeakPolarHBondContact O-CA 3.2Å; E408-Q411 WeakPolarHBondContact O-CB 3.49Å; E408-Q411 PolarHBondContact O-N 3.18Å; E409-Q411 VanDerWaalsContact C-N 3.33Å; E409-Q411 PolarHBondContact O-N 2.91Å; Q411-R414 PolarHBondContact O-N 3.35Å; Q411-T415 WeakPolarHBondContact O-CB 3.4Å; Q411-T415 PolarHBondContact O-N 2.7Å; Q411-T415 PolarHBondContact O-OG1 3.3Å |
| 412 | D | 92.8 | Very high | 84.6 | Confident | 108 Ų | 108 | 122.4 Ų | 122.4 | 58% | 0.578 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.8 | -44.9 | 175.7 | -76.5 | -17.2 | 0 | 0 | 0 | 111.5 | E408 E409 R414 T415 L416 | E408-D412 PolarHBondContact O-N 3.02Å; E409-D412 PolarHBondContact O-N 2.81Å; D412-R414 VanDerWaalsContact C-N 3.35Å; D412-R414 PolarHBondContact O-N 3.07Å; D412-T415 WeakPolarHBondContact O-CB 3.26Å; D412-T415 PolarHBondContact O-N 3.21Å; D412-T415 VanDerWaalsContact O-N 3.13Å; D412-L416 PolarHBondContact O-N 2.79Å |
| 413 | E | 89.4 | Confident | 86.5 | Confident | 139 Ų | 139 | 118.4 Ų | 118.4 | 65% | 0.65 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.7 | -45 | 173.9 | -75.4 | -176.1 | 166.1 | 0 | 0 | 111.8 | E409 T415 L416 F417 | E409-E413 WeakPolarHBondContact O-CG 3.21Å; E409-E413 PolarHBondContact O-N 2.92Å; E413-T415 VanDerWaalsContact C-N 3.27Å; E413-T415 PolarHBondContact O-N 2.89Å; E413-L416 PolarHBondContact O-N 3.01Å; E413-F417 WeakPolarHBondContact O-CB 3.24Å; E413-F417 PolarHBondContact O-N 3.19Å |
| 414 | R | 91.6 | Very high | 88.3 | Confident | 115 Ų | 115 | 112.9 Ų | 112.9 | 43% | 0.434 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 175.9 | -74.3 | 169.3 | -176.3 | -144.2 | 6 | 112.1 | E410 Q411 D412 F417 L418 | E410-R414 WeakPolarHBondContact O-CB 3.32Å; E410-R414 WeakPolarHBondContact O-CD 3.42Å; E410-R414 WeakPolarHBondContact O-CG 3.26Å; E410-R414 PolarHBondContact O-N 2.76Å; E410-R414 VanDerWaalsContact O-N 3.08Å; E410-R414 IonicContact OE1-CZ 2.83Å; E410-R414 IonicContact OE1-NE 2.88Å; E410-R414 PolarHBondContact OE1-NE 3.28Å; E410-R414 IonicContact OE1-NH2 3.51Å; E410-R414 PolarHBondContact OE1-NH2 3.41Å; Q411-R414 PolarHBondContact O-N 3.35Å; D412-R414 VanDerWaalsContact C-N 3.35Å; D412-R414 PolarHBondContact O-N 3.07Å; R414-F417 PolarHBondContact O-N 2.84Å; R414-L418 WeakPolarHBondContact O-CB 3.29Å; R414-L418 WeakPolarHBondContact O-CG 3.37Å; R414-L418 PolarHBondContact O-N 3.42Å |
| 415 | T | 93 | Very high | 89.3 | Confident | 65 Ų | 65 | 110 Ų | 110 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.9 | -41.9 | 177.7 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | Q411 D412 E413 L418 K419 | Q411-T415 WeakPolarHBondContact O-CB 3.4Å; Q411-T415 PolarHBondContact O-N 2.7Å; Q411-T415 PolarHBondContact O-OG1 3.3Å; D412-T415 WeakPolarHBondContact O-CB 3.26Å; D412-T415 PolarHBondContact O-N 3.21Å; D412-T415 VanDerWaalsContact O-N 3.13Å; E413-T415 VanDerWaalsContact C-N 3.27Å; E413-T415 PolarHBondContact O-N 2.89Å; T415-L418 PolarHBondContact O-N 2.81Å; T415-K419 WeakPolarHBondContact O-CG 3.48Å; T415-K419 PolarHBondContact O-N 2.9Å; T415-K419 VanDerWaalsContact O-N 3.1Å |
| 416 | L | 93.4 | Very high | 90.4 | Very high | 106 Ų | 106 | 100.9 Ų | 100.9 | 56% | 0.555 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.6 | -46.7 | 173.9 | -162.5 | 79.5 | 0 | 0 | 0 | 110.7 | D412 E413 L418 K419 E420 | D412-L416 PolarHBondContact O-N 2.79Å; E413-L416 PolarHBondContact O-N 3.01Å; L416-L418 PolarHBondContact O-N 2.88Å; L416-K419 WeakPolarHBondContact O-CB 3.39Å; L416-K419 PolarHBondContact O-N 3.01Å; L416-K419 VanDerWaalsContact O-N 3.12Å; L416-E420 PolarHBondContact O-N 3.48Å |
| 417 | F | 90.8 | Very high | 91.2 | Very high | 71 Ų | 71 | 102.4 Ų | 102.4 | 31% | 0.311 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 178.3 | -168.5 | -83.6 | 0 | 0 | 0 | 112.3 | I314 Q316 E413 R414 K419 E420 W421 | I314-F417 HydrophobicContact CG2-CZ 4.26Å; Q316-F417 HydrophobicContact CG-CE1 3.72Å; Q316-F417 HydrophobicContact CG-CE2 4.21Å; Q316-F417 HydrophobicContact CG-CZ 3.43Å; Q316-F417 VanDerWaalsContact CG-CZ 3.43Å; Q316-F417 VanDerWaalsContact NE2-CD1 3.34Å; E413-F417 WeakPolarHBondContact O-CB 3.24Å; E413-F417 PolarHBondContact O-N 3.19Å; R414-F417 PolarHBondContact O-N 2.84Å; F417-K419 VanDerWaalsContact C-N 3.32Å; F417-K419 PolarHBondContact O-N 2.83Å; F417-E420 PolarHBondContact O-N 3.05Å; F417-W421 WeakPolarHBondContact O-CB 3.24Å; F417-W421 PolarHBondContact O-N 3.24Å |
| 418 | L | 93.9 | Very high | 91.3 | Very high | 104 Ų | 104 | 99.1 Ų | 99.1 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 175.8 | -81.2 | 166.9 | 0 | 0 | 0 | 112.3 | R414 T415 L416 W421 T422 | R414-L418 WeakPolarHBondContact O-CB 3.29Å; R414-L418 WeakPolarHBondContact O-CG 3.37Å; R414-L418 PolarHBondContact O-N 3.42Å; T415-L418 PolarHBondContact O-N 2.81Å; L416-L418 PolarHBondContact O-N 2.88Å; L418-W421 PolarHBondContact O-N 2.82Å; L418-T422 WeakPolarHBondContact O-CB 3.16Å; L418-T422 PolarHBondContact O-N 2.92Å; L418-T422 PolarHBondContact O-OG1 3.25Å |
| 419 | K | 96 | Very high | 91.5 | Very high | 139 Ų | 139 | 97.5 Ų | 97.5 | 60% | 0.604 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.3 | -45.8 | 175.3 | -72.8 | 172.2 | 178.9 | 175.2 | 0 | 111.1 | T415 L416 F417 T422 K423 | T415-K419 WeakPolarHBondContact O-CG 3.48Å; T415-K419 PolarHBondContact O-N 2.9Å; T415-K419 VanDerWaalsContact O-N 3.1Å; L416-K419 WeakPolarHBondContact O-CB 3.39Å; L416-K419 PolarHBondContact O-N 3.01Å; L416-K419 VanDerWaalsContact O-N 3.12Å; F417-K419 VanDerWaalsContact C-N 3.32Å; F417-K419 PolarHBondContact O-N 2.83Å; K419-T422 PolarHBondContact O-N 3.45Å; K419-K423 PolarHBondContact O-N 2.72Å |
| 420 | E | 93.8 | Very high | 91.8 | Very high | 120 Ų | 120 | 94.3 Ų | 94.3 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.5 | -44.6 | 175.4 | -70.3 | -175.9 | 165.3 | 0 | 0 | 112 | L416 F417 T422 K423 Y424 | L416-E420 PolarHBondContact O-N 3.48Å; F417-E420 PolarHBondContact O-N 3.05Å; E420-T422 VanDerWaalsContact C-N 3.31Å; E420-T422 PolarHBondContact O-N 3.3Å; E420-K423 WeakPolarHBondContact O-CB 3.19Å; E420-K423 PolarHBondContact O-N 2.99Å; E420-Y424 WeakPolarHBondContact O-CB 3.27Å; E420-Y424 PolarHBondContact O-N 2.94Å |
| 421 | W | 91.2 | Very high | 92.1 | Very high | 95 Ų | 95 | 98.2 Ų | 98.2 | 36% | 0.36 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 175.7 | 175.8 | -114.2 | 0 | 0 | 0 | 112.3 | I314 F417 L418 Y424 S425 | I314-W421 HydrophobicContact CD1-CE3 3.9Å; I314-W421 HydrophobicContact CD1-CH2 3.13Å; I314-W421 HydrophobicContact CD1-CZ2 4.1Å; I314-W421 HydrophobicContact CD1-CZ3 3.01Å; I314-W421 HydrophobicContact CG1-CE3 3.94Å; I314-W421 HydrophobicContact CG1-CH2 4.04Å; I314-W421 HydrophobicContact CG1-CZ3 3.36Å; F417-W421 WeakPolarHBondContact O-CB 3.24Å; F417-W421 PolarHBondContact O-N 3.24Å; L418-W421 PolarHBondContact O-N 2.82Å; W421-Y424 AromaticContact CE3-CD1 3.85Å; W421-Y424 HydrophobicContact CE3-CD1 3.85Å; W421-Y424 HydrophobicContact CE3-CE1 4.46Å; W421-Y424 HydrophobicContact CH2-CD1 4.26Å; W421-Y424 HydrophobicContact CH2-CE1 4.23Å; W421-Y424 AromaticContact CZ3-CD1 3.45Å; W421-Y424 HydrophobicContact CZ3-CD1 3.45Å; W421-Y424 VanDerWaalsContact CZ3-CD1 3.45Å; W421-Y424 AromaticContact CZ3-CE1 3.63Å; W421-Y424 HydrophobicContact CZ3-CE1 3.63Å; W421-Y424 PolarHBondContact O-N 3Å; W421-S425 VanDerWaalsContact CE2-OG 3.27Å; W421-S425 WeakPolarHBondContact CZ2-OG 3.34Å; W421-S425 WeakPolarHBondContact O-CB 3.43Å; W421-S425 PolarHBondContact O-N 3.16Å; W421-S425 PolarHBondContact O-OG 3.21Å |
| 422 | T | 94.1 | Very high | 92.1 | Very high | 82 Ų | 82 | 102 Ų | 102 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 178.4 | -56.6 | 0 | 0 | 0 | 0 | 111 | L418 K419 E420 T426 | L418-T422 WeakPolarHBondContact O-CB 3.16Å; L418-T422 PolarHBondContact O-N 2.92Å; L418-T422 PolarHBondContact O-OG1 3.25Å; K419-T422 PolarHBondContact O-N 3.45Å; E420-T422 VanDerWaalsContact C-N 3.31Å; E420-T422 PolarHBondContact O-N 3.3Å; T422-T426 VanDerWaalsContact O-CB 3.31Å; T422-T426 WeakPolarHBondContact O-CB 3.45Å; T422-T426 PolarHBondContact O-N 3.35Å; T422-T426 PolarHBondContact O-OG1 2.84Å |
| 423 | K | 94.4 | Very high | 92.1 | Very high | 143 Ų | 143 | 103.6 Ų | 103.6 | 62% | 0.622 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.9 | -51.5 | 174.7 | -173.6 | -178.2 | 177.9 | -175.9 | 0 | 111.2 | K419 E420 S425 T426 E427 | K419-K423 PolarHBondContact O-N 2.72Å; E420-K423 WeakPolarHBondContact O-CB 3.19Å; E420-K423 PolarHBondContact O-N 2.99Å; K423-S425 PolarHBondContact O-N 2.82Å; K423-T426 WeakPolarHBondContact O-CB 3.28Å; K423-T426 PolarHBondContact O-N 3.23Å; K423-E427 PolarHBondContact O-N 3.07Å |
| 424 | Y | 92.8 | Very high | 92.2 | Very high | 67 Ų | 67 | 99.8 Ų | 99.8 | 26% | 0.263 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 178.1 | 169.4 | -99.8 | 0 | 0 | 0 | 112.5 | E420 W421 T426 E427 K428 | E420-Y424 WeakPolarHBondContact O-CB 3.27Å; E420-Y424 PolarHBondContact O-N 2.94Å; W421-Y424 AromaticContact CE3-CD1 3.85Å; W421-Y424 HydrophobicContact CE3-CD1 3.85Å; W421-Y424 HydrophobicContact CE3-CE1 4.46Å; W421-Y424 HydrophobicContact CH2-CD1 4.26Å; W421-Y424 HydrophobicContact CH2-CE1 4.23Å; W421-Y424 AromaticContact CZ3-CD1 3.45Å; W421-Y424 HydrophobicContact CZ3-CD1 3.45Å; W421-Y424 VanDerWaalsContact CZ3-CD1 3.45Å; W421-Y424 AromaticContact CZ3-CE1 3.63Å; W421-Y424 HydrophobicContact CZ3-CE1 3.63Å; W421-Y424 PolarHBondContact O-N 3Å; Y424-T426 VanDerWaalsContact C-N 3.25Å; Y424-T426 PolarHBondContact O-N 2.96Å; Y424-E427 PolarHBondContact O-N 3.31Å; Y424-K428 HydrophobicContact CE1-CD 4.3Å; Y424-K428 WeakPolarHBondContact O-CB 3.25Å; Y424-K428 PolarHBondContact O-N 3.06Å |
| 425 | S | 89.1 | Confident | 92.1 | Very high | 39 Ų | 39 | 97.9 Ų | 97.9 | 27% | 0.273 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.2 | -37.7 | 178.4 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | W421 K423 R429 | W421-S425 VanDerWaalsContact CE2-OG 3.27Å; W421-S425 WeakPolarHBondContact CZ2-OG 3.34Å; W421-S425 WeakPolarHBondContact O-CB 3.43Å; W421-S425 PolarHBondContact O-N 3.16Å; W421-S425 PolarHBondContact O-OG 3.21Å; K423-S425 PolarHBondContact O-N 2.82Å; S425-R429 VanDerWaalsContact O-CB 3.27Å; S425-R429 WeakPolarHBondContact O-CB 3.41Å; S425-R429 PolarHBondContact O-N 3.29Å |
| 426 | T | 92.6 | Very high | 92 | Very high | 54 Ų | 54 | 99.3 Ų | 99.3 | 33% | 0.331 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 175.3 | -61 | 0 | 0 | 0 | 0 | 111.7 | T422 K423 Y424 K428 R429 N430 | T422-T426 VanDerWaalsContact O-CB 3.31Å; T422-T426 WeakPolarHBondContact O-CB 3.45Å; T422-T426 PolarHBondContact O-N 3.35Å; T422-T426 PolarHBondContact O-OG1 2.84Å; K423-T426 WeakPolarHBondContact O-CB 3.28Å; K423-T426 PolarHBondContact O-N 3.23Å; Y424-T426 VanDerWaalsContact C-N 3.25Å; Y424-T426 PolarHBondContact O-N 2.96Å; T426-K428 PolarHBondContact O-N 3.23Å; T426-R429 PolarHBondContact O-N 3.04Å; T426-N430 WeakPolarHBondContact O-CB 3.41Å; T426-N430 PolarHBondContact O-N 3.31Å; T426-N430 PolarHBondContact O-ND2 3.08Å; T426-N430 PolarHBondContact O-OD1 2.79Å |
| 427 | E | 93.9 | Very high | 92 | Very high | 85 Ų | 85 | 102.3 Ų | 102.3 | 40% | 0.397 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 175.2 | -74.9 | 178 | -166.5 | 0 | 0 | 112.4 | K423 Y424 N430 R431 | K423-E427 PolarHBondContact O-N 3.07Å; Y424-E427 PolarHBondContact O-N 3.31Å; E427-N430 PolarHBondContact O-N 3.26Å; E427-R431 PolarHBondContact O-N 2.89Å; E427-R431 IonicContact OE2-NH2 3.03Å |
| 428 | K | 87.9 | Confident | 92.1 | Very high | 80 Ų | 80 | 102.4 Ų | 102.4 | 35% | 0.348 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 176.3 | -177 | 177.5 | -179 | 176.8 | 0 | 111.4 | Y424 T426 R431 R432 | Y424-K428 HydrophobicContact CE1-CD 4.3Å; Y424-K428 WeakPolarHBondContact O-CB 3.25Å; Y424-K428 PolarHBondContact O-N 3.06Å; T426-K428 PolarHBondContact O-N 3.23Å; K428-R431 PolarHBondContact O-N 2.75Å; K428-R432 PolarHBondContact O-N 3.38Å; K428-R432 VanDerWaalsContact O-N 3.1Å |
| 429 | R | 91.9 | Very high | 92.1 | Very high | 120 Ų | 120 | 103.2 Ų | 103.2 | 45% | 0.453 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 174.8 | -177.1 | -176.1 | 63.3 | 69.5 | 4.8 | 110.6 | S425 T426 R431 R432 Y433 | S425-R429 VanDerWaalsContact O-CB 3.27Å; S425-R429 WeakPolarHBondContact O-CB 3.41Å; S425-R429 PolarHBondContact O-N 3.29Å; T426-R429 PolarHBondContact O-N 3.04Å; R429-R431 PolarHBondContact O-N 2.89Å; R429-R432 PolarHBondContact O-N 2.87Å; R429-Y433 HydrophobicContact CG-CD2 3.66Å; R429-Y433 HydrophobicContact CG-CE2 3.45Å; R429-Y433 VanDerWaalsContact CG-CE2 3.45Å; R429-Y433 VanDerWaalsContact O-CD2 3.23Å; R429-Y433 WeakPolarHBondContact O-CD2 3.5Å; R429-Y433 PolarHBondContact O-N 2.9Å |
| 430 | N | 94.4 | Very high | 92 | Very high | 79 Ų | 79 | 102.4 Ų | 102.4 | 42% | 0.422 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62 | -42 | 179.1 | -70.7 | -11.4 | 0 | 0 | 0 | 112.3 | T426 E427 R432 Y433 A434 | T426-N430 WeakPolarHBondContact O-CB 3.41Å; T426-N430 PolarHBondContact O-N 3.31Å; T426-N430 PolarHBondContact O-ND2 3.08Å; T426-N430 PolarHBondContact O-OD1 2.79Å; E427-N430 PolarHBondContact O-N 3.26Å; N430-R432 PolarHBondContact O-N 2.95Å; N430-Y433 PolarHBondContact O-N 3.41Å; N430-A434 WeakPolarHBondContact O-CB 3.28Å; N430-A434 PolarHBondContact O-N 3.33Å |
| 431 | R | 90.6 | Very high | 92.1 | Very high | 156 Ų | 156 | 100.7 Ų | 100.7 | 59% | 0.589 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.5 | -42.4 | 174.1 | -80.3 | -175.8 | -104.7 | 148.4 | -7.1 | 112.6 | E427 K428 R429 A434 S435 | E427-R431 PolarHBondContact O-N 2.89Å; E427-R431 IonicContact OE2-NH2 3.03Å; K428-R431 PolarHBondContact O-N 2.75Å; R429-R431 PolarHBondContact O-N 2.89Å; R431-A434 PolarHBondContact O-N 3.12Å; R431-S435 PolarHBondContact O-N 2.76Å |
| 432 | R | 86.8 | Confident | 92.2 | Very high | 174 Ų | 174 | 99.4 Ų | 99.4 | 66% | 0.657 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.9 | -45.6 | 174.2 | -78.8 | -178.8 | 172.4 | 179 | -4.8 | 111.7 | K428 R429 N430 S435 L436 | K428-R432 PolarHBondContact O-N 3.38Å; K428-R432 VanDerWaalsContact O-N 3.1Å; R429-R432 PolarHBondContact O-N 2.87Å; N430-R432 PolarHBondContact O-N 2.95Å; R432-S435 PolarHBondContact O-N 2.99Å; R432-L436 WeakPolarHBondContact O-CB 3.48Å; R432-L436 PolarHBondContact O-N 3.43Å |
| 433 | Y | 92.2 | Very high | 92.1 | Very high | 142 Ų | 142 | 100.6 Ų | 100.6 | 56% | 0.557 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.7 | -39.8 | 176.5 | -83.8 | -68.8 | 0 | 0 | 0 | 112.5 | R429 N430 L436 R437 | R429-Y433 HydrophobicContact CG-CD2 3.66Å; R429-Y433 HydrophobicContact CG-CE2 3.45Å; R429-Y433 VanDerWaalsContact CG-CE2 3.45Å; R429-Y433 VanDerWaalsContact O-CD2 3.23Å; R429-Y433 WeakPolarHBondContact O-CD2 3.5Å; R429-Y433 PolarHBondContact O-N 2.9Å; N430-Y433 PolarHBondContact O-N 3.41Å; Y433-L436 PolarHBondContact O-N 3.45Å; Y433-R437 WeakPolarHBondContact O-CB 3.37Å; Y433-R437 PolarHBondContact O-N 2.88Å |
| 434 | A | 92.1 | Very high | 92.2 | Very high | 60 Ų | 60 | 98.5 Ų | 98.5 | 50% | 0.496 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N430 R431 R437 S438 | N430-A434 WeakPolarHBondContact O-CB 3.28Å; N430-A434 PolarHBondContact O-N 3.33Å; R431-A434 PolarHBondContact O-N 3.12Å; A434-R437 PolarHBondContact O-N 2.84Å; A434-S438 PolarHBondContact O-N 2.98Å |
| 435 | S | 88.7 | Confident | 92.3 | Very high | 75 Ų | 75 | 101.9 Ų | 101.9 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 175.2 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | R431 R432 R437 S438 M439 | R431-S435 PolarHBondContact O-N 2.76Å; R432-S435 PolarHBondContact O-N 2.99Å; S435-R437 VanDerWaalsContact C-N 3.34Å; S435-S438 PolarHBondContact O-N 3.45Å; S435-M439 PolarHBondContact O-N 2.98Å |
| 436 | L | 92 | Very high | 92.6 | Very high | 94 Ų | 94 | 102.6 Ų | 102.6 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 178.1 | -161.6 | 83.6 | 0 | 0 | 0 | 110.6 | R432 Y433 M439 M440 | R432-L436 WeakPolarHBondContact O-CB 3.48Å; R432-L436 PolarHBondContact O-N 3.43Å; Y433-L436 PolarHBondContact O-N 3.45Å; L436-M439 WeakPolarHBondContact O-CB 3.5Å; L436-M439 PolarHBondContact O-N 2.75Å; L436-M440 HydrophobicContact CD2-SD 4.32Å; L436-M440 HydrophobicContact CG-SD 4.4Å; L436-M440 WeakPolarHBondContact O-CB 3.45Å; L436-M440 VanDerWaalsContact O-CG 3.29Å; L436-M440 WeakPolarHBondContact O-CG 3.18Å; L436-M440 PolarHBondContact O-N 3.28Å |
| 437 | R | 93.5 | Very high | 92.7 | Very high | 169 Ų | 169 | 101.1 Ų | 101.1 | 64% | 0.638 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.5 | -47.9 | 176.8 | -176.4 | 178.6 | -177.9 | 146.6 | 5.2 | 111.6 | Y433 A434 S435 M439 M440 E441 | Y433-R437 WeakPolarHBondContact O-CB 3.37Å; Y433-R437 PolarHBondContact O-N 2.88Å; A434-R437 PolarHBondContact O-N 2.84Å; S435-R437 VanDerWaalsContact C-N 3.34Å; R437-M439 VanDerWaalsContact C-N 3.27Å; R437-M439 PolarHBondContact O-N 3.38Å; R437-M440 PolarHBondContact O-N 3.28Å; R437-E441 HydrophobicContact CG-CG 4.4Å; R437-E441 WeakPolarHBondContact CG-OE1 3.48Å; R437-E441 IonicContact CZ-OE1 3.02Å; R437-E441 IonicContact NE-OE1 3.89Å; R437-E441 PolarHBondContact NE-OE1 2.93Å; R437-E441 IonicContact NH2-OE1 2.68Å; R437-E441 WeakPolarHBondContact O-CB 3.49Å; R437-E441 WeakPolarHBondContact O-CG 3.49Å; R437-E441 PolarHBondContact O-N 3.07Å |
| 438 | S | 93 | Very high | 92.7 | Very high | 73 Ų | 73 | 102.8 Ų | 102.8 | 51% | 0.51 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.6 | -40.4 | 176 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | A434 S435 S442 | A434-S438 PolarHBondContact O-N 2.98Å; S435-S438 PolarHBondContact O-N 3.45Å; S438-S442 PolarHBondContact O-N 3.2Å; S438-S442 PolarHBondContact O-OG 3.45Å |
| 439 | M | 92.7 | Very high | 93.1 | Very high | 121 Ų | 121 | 105.1 Ų | 105.1 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.2 | -44 | 177.4 | -172.8 | -177.2 | -69 | 0 | 0 | 111.5 | S435 L436 R437 S442 H443 | S435-M439 PolarHBondContact O-N 2.98Å; L436-M439 WeakPolarHBondContact O-CB 3.5Å; L436-M439 PolarHBondContact O-N 2.75Å; R437-M439 VanDerWaalsContact C-N 3.27Å; R437-M439 PolarHBondContact O-N 3.38Å; M439-S442 WeakPolarHBondContact CA-OG 3.48Å; M439-S442 PolarHBondContact O-N 2.83Å; M439-S442 PolarHBondContact O-OG 2.89Å; M439-H443 WeakPolarHBondContact O-CB 3.43Å; M439-H443 PolarHBondContact O-N 2.69Å |
| 440 | M | 94.8 | Very high | 93.2 | Very high | 123 Ų | 123 | 101.8 Ų | 101.8 | 61% | 0.606 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.1 | -43.7 | 175.6 | -71.5 | 178.8 | 71.5 | 0 | 0 | 111.7 | L436 R437 S442 H443 E444 | L436-M440 HydrophobicContact CD2-SD 4.32Å; L436-M440 HydrophobicContact CG-SD 4.4Å; L436-M440 WeakPolarHBondContact O-CB 3.45Å; L436-M440 VanDerWaalsContact O-CG 3.29Å; L436-M440 WeakPolarHBondContact O-CG 3.18Å; L436-M440 PolarHBondContact O-N 3.28Å; R437-M440 PolarHBondContact O-N 3.28Å; M440-S442 VanDerWaalsContact C-N 3.35Å; M440-S442 PolarHBondContact O-N 2.93Å; M440-H443 PolarHBondContact O-N 3.44Å; M440-E444 WeakPolarHBondContact O-CB 3.28Å; M440-E444 PolarHBondContact O-N 3.14Å |
| 441 | E | 95.1 | Very high | 93.2 | Very high | 83 Ų | 83 | 104.4 Ų | 104.4 | 39% | 0.388 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 176.7 | -73.7 | 172.3 | -172.3 | 0 | 0 | 111.5 | R437 K445 | R437-E441 HydrophobicContact CG-CG 4.4Å; R437-E441 WeakPolarHBondContact CG-OE1 3.48Å; R437-E441 IonicContact CZ-OE1 3.02Å; R437-E441 IonicContact NE-OE1 3.89Å; R437-E441 PolarHBondContact NE-OE1 2.93Å; R437-E441 IonicContact NH2-OE1 2.68Å; R437-E441 WeakPolarHBondContact O-CB 3.49Å; R437-E441 WeakPolarHBondContact O-CG 3.49Å; R437-E441 PolarHBondContact O-N 3.07Å; E441-K445 WeakPolarHBondContact O-CG 3.46Å; E441-K445 PolarHBondContact O-N 3.43Å |
| 442 | S | 93.9 | Very high | 93.4 | Very high | 68 Ų | 68 | 104.4 Ų | 104.4 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 174 | 61.2 | 0 | 0 | 0 | 0 | 112.8 | S438 M439 M440 K445 A446 | S438-S442 PolarHBondContact O-N 3.2Å; S438-S442 PolarHBondContact O-OG 3.45Å; M439-S442 WeakPolarHBondContact CA-OG 3.48Å; M439-S442 PolarHBondContact O-N 2.83Å; M439-S442 PolarHBondContact O-OG 2.89Å; M440-S442 VanDerWaalsContact C-N 3.35Å; M440-S442 PolarHBondContact O-N 2.93Å; S442-K445 PolarHBondContact O-N 2.96Å; S442-A446 WeakPolarHBondContact O-CB 3.21Å; S442-A446 PolarHBondContact O-N 3.19Å |
| 443 | H | 92.3 | Very high | 93.8 | Very high | 108 Ų | 108 | 103.2 Ų | 103.2 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 177.7 | 177.9 | 65.8 | 0 | 0 | 0 | 111.3 | M439 M440 A446 L447 | M439-H443 WeakPolarHBondContact O-CB 3.43Å; M439-H443 PolarHBondContact O-N 2.69Å; M440-H443 PolarHBondContact O-N 3.44Å; H443-A446 PolarHBondContact O-N 2.82Å; H443-L447 WeakPolarHBondContact NE2-CD1 3.35Å; H443-L447 WeakPolarHBondContact O-CG 3.48Å; H443-L447 PolarHBondContact O-N 3.19Å |
| 444 | E | 95.1 | Very high | 93.9 | Very high | 99 Ų | 99 | 98 Ų | 98 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 176.2 | -167.3 | -167.4 | 153.8 | 0 | 0 | 111.9 | M440 L447 K448 | M440-E444 WeakPolarHBondContact O-CB 3.28Å; M440-E444 PolarHBondContact O-N 3.14Å; E444-L447 PolarHBondContact O-N 2.89Å; E444-K448 WeakPolarHBondContact O-CG 3.34Å; E444-K448 PolarHBondContact O-N 3.3Å; E444-K448 VanDerWaalsContact OE1-CE 3.23Å; E444-K448 WeakPolarHBondContact OE1-CE 3.44Å; E444-K448 IonicContact OE1-NZ 3.89Å; E444-K448 PolarHBondContact OE1-NZ 3.18Å |
| 445 | K | 95.5 | Very high | 94 | Very high | 138 Ų | 138 | 100.1 Ų | 100.1 | 60% | 0.6 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.2 | -47.5 | 173.2 | -75.5 | 175.3 | -177.8 | 179.1 | 0 | 111.4 | E441 S442 L447 K448 E449 | E441-K445 WeakPolarHBondContact O-CG 3.46Å; E441-K445 PolarHBondContact O-N 3.43Å; S442-K445 PolarHBondContact O-N 2.96Å; K445-L447 VanDerWaalsContact C-N 3.33Å; K445-L447 PolarHBondContact O-N 2.96Å; K445-K448 PolarHBondContact O-N 3.47Å; K445-E449 PolarHBondContact O-N 2.81Å |
| 446 | A | 94.9 | Very high | 94.3 | Very high | 53 Ų | 53 | 103.9 Ų | 103.9 | 44% | 0.438 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S442 H443 K448 E449 L450 | S442-A446 WeakPolarHBondContact O-CB 3.21Å; S442-A446 PolarHBondContact O-N 3.19Å; H443-A446 PolarHBondContact O-N 2.82Å; A446-K448 PolarHBondContact O-N 3.49Å; A446-E449 PolarHBondContact O-N 3.25Å; A446-L450 VanDerWaalsContact O-CB 3.28Å; A446-L450 WeakPolarHBondContact O-CB 3.4Å; A446-L450 PolarHBondContact O-N 3.41Å |
| 447 | L | 94.9 | Very high | 94.3 | Very high | 23 Ų | 23 | 104 Ų | 104 | 12% | 0.12 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 175.4 | -80.4 | 177.2 | 0 | 0 | 0 | 112.6 | H443 E444 K445 L450 R451 Y458 A461 L462 | H443-L447 WeakPolarHBondContact NE2-CD1 3.35Å; H443-L447 WeakPolarHBondContact O-CG 3.48Å; H443-L447 PolarHBondContact O-N 3.19Å; E444-L447 PolarHBondContact O-N 2.89Å; K445-L447 VanDerWaalsContact C-N 3.33Å; K445-L447 PolarHBondContact O-N 2.96Å; L447-L450 PolarHBondContact O-N 2.88Å; L447-R451 WeakPolarHBondContact O-CB 3.3Å; L447-R451 PolarHBondContact O-N 3.39Å; L447-Y458 HydrophobicContact CB-CD2 4.31Å; L447-Y458 HydrophobicContact CB-CE2 4.06Å; L447-Y458 HydrophobicContact CD2-CD2 3.91Å; L447-Y458 HydrophobicContact CD2-CE2 4.03Å; L447-Y458 HydrophobicContact CG-CE2 4.46Å; L447-Y458 WeakPolarHBondContact O-CD2 3.25Å; L447-A461 HydrophobicContact CD2-CB 4.02Å; L447-L462 HydrophobicContact CD1-CD2 4.49Å |
| 448 | K | 94.7 | Very high | 94.3 | Very high | 120 Ų | 120 | 98.7 Ų | 98.7 | 52% | 0.522 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 175.9 | -73.9 | 173.2 | -174.8 | 166.2 | 0 | 112 | E444 K445 A446 R451 L452 | E444-K448 WeakPolarHBondContact O-CG 3.34Å; E444-K448 PolarHBondContact O-N 3.3Å; E444-K448 VanDerWaalsContact OE1-CE 3.23Å; E444-K448 WeakPolarHBondContact OE1-CE 3.44Å; E444-K448 IonicContact OE1-NZ 3.89Å; E444-K448 PolarHBondContact OE1-NZ 3.18Å; K445-K448 PolarHBondContact O-N 3.47Å; A446-K448 PolarHBondContact O-N 3.49Å; K448-R451 PolarHBondContact O-N 3.39Å; K448-L452 WeakPolarHBondContact O-CG 3.28Å; K448-L452 PolarHBondContact O-N 2.94Å |
| 449 | E | 95.5 | Very high | 94.4 | Very high | 130 Ų | 130 | 100.8 Ų | 100.8 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -42.4 | 175.4 | -71.8 | 177.7 | -174.8 | 0 | 0 | 111.5 | K445 A446 R451 L452 L453 | K445-E449 PolarHBondContact O-N 2.81Å; A446-E449 PolarHBondContact O-N 3.25Å; E449-R451 VanDerWaalsContact C-N 3.33Å; E449-R451 PolarHBondContact O-N 3.05Å; E449-L452 WeakPolarHBondContact O-CB 3.45Å; E449-L452 PolarHBondContact O-N 2.83Å; E449-L453 PolarHBondContact O-N 3.13Å |
| 450 | L | 95.1 | Very high | 94.2 | Very high | 49 Ų | 49 | 100.1 Ų | 100.1 | 26% | 0.257 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 177.8 | -167.4 | 67 | 0 | 0 | 0 | 111.5 | A446 L447 L452 L453 S454 L457 A461 | A446-L450 VanDerWaalsContact O-CB 3.28Å; A446-L450 WeakPolarHBondContact O-CB 3.4Å; A446-L450 PolarHBondContact O-N 3.41Å; L447-L450 PolarHBondContact O-N 2.88Å; L450-L452 VanDerWaalsContact C-N 3.31Å; L450-L452 PolarHBondContact O-N 3.16Å; L450-L453 WeakPolarHBondContact O-CB 3.18Å; L450-L453 PolarHBondContact O-N 2.71Å; L450-L453 VanDerWaalsContact O-N 3.08Å; L450-S454 PolarHBondContact O-N 3.25Å; L450-S454 VanDerWaalsContact O-O 3.05Å; L450-L457 HydrophobicContact CD1-CB 3.89Å; L450-L457 HydrophobicContact CD1-CD1 4.11Å; L450-L457 HydrophobicContact CD2-CB 4.17Å; L450-L457 HydrophobicContact CG-CB 3.97Å; L450-A461 HydrophobicContact CD2-CB 3.88Å |
| 451 | R | 94.3 | Very high | 94 | Very high | 134 Ų | 134 | 96.8 Ų | 96.8 | 51% | 0.506 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -35 | 176.8 | -169.2 | 174 | -172.3 | -178.9 | 2.8 | 113 | L447 K448 E449 L453 E455 Y458 | L447-R451 WeakPolarHBondContact O-CB 3.3Å; L447-R451 PolarHBondContact O-N 3.39Å; K448-R451 PolarHBondContact O-N 3.39Å; E449-R451 VanDerWaalsContact C-N 3.33Å; E449-R451 PolarHBondContact O-N 3.05Å; R451-L453 VanDerWaalsContact C-N 3.25Å; R451-L453 PolarHBondContact O-N 2.94Å; R451-E455 IonicContact CZ-OE1 3.35Å; R451-E455 IonicContact NE-OE1 2.71Å; R451-E455 PolarHBondContact NE-OE1 2.85Å; R451-E455 IonicContact NH2-OE1 2.84Å; R451-E455 PolarHBondContact NH2-OE1 3.09Å; R451-Y458 HydrophobicContact CB-CD2 3.89Å; R451-Y458 HydrophobicContact CB-CE2 4.49Å; R451-Y458 HydrophobicContact CB-CG 4.12Å; R451-Y458 HydrophobicContact CG-CD2 4.41Å; R451-Y458 HydrophobicContact CG-CG 4.29Å |
| 452 | L | 94.4 | Very high | 93.7 | Very high | 157 Ų | 157 | 97.6 Ų | 97.6 | 82% | 0.822 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.1 | -26.5 | 174.3 | -71 | 168 | 0 | 0 | 0 | 112.4 | K448 E449 L450 | K448-L452 WeakPolarHBondContact O-CG 3.28Å; K448-L452 PolarHBondContact O-N 2.94Å; E449-L452 WeakPolarHBondContact O-CB 3.45Å; E449-L452 PolarHBondContact O-N 2.83Å; L450-L452 VanDerWaalsContact C-N 3.31Å; L450-L452 PolarHBondContact O-N 3.16Å |
| 453 | L | 95.1 | Very high | 93.4 | Very high | 148 Ų | 148 | 100.3 Ų | 100.3 | 78% | 0.775 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -85.4 | -47.1 | 178.2 | -96.9 | 141.2 | 0 | 0 | 0 | 112.9 | E449 L450 R451 | E449-L453 PolarHBondContact O-N 3.13Å; L450-L453 WeakPolarHBondContact O-CB 3.18Å; L450-L453 PolarHBondContact O-N 2.71Å; L450-L453 VanDerWaalsContact O-N 3.08Å; R451-L453 VanDerWaalsContact C-N 3.25Å; R451-L453 PolarHBondContact O-N 2.94Å |
| 454 | S | 94.2 | Very high | 92.9 | Very high | 34 Ų | 34 | 101.3 Ų | 101.3 | 24% | 0.238 | 51% | 0.505 | C | S | . | . | trans | -161.5 | 127.4 | -178.6 | 171.1 | 0 | 0 | 0 | 0 | 111 | L450 E456 L457 Y458 | L450-S454 PolarHBondContact O-N 3.25Å; L450-S454 VanDerWaalsContact O-O 3.05Å; S454-E456 VanDerWaalsContact C-N 3.34Å; S454-E456 PolarHBondContact OG-N 3.11Å; S454-L457 PolarHBondContact OG-N 3.47Å; S454-Y458 PolarHBondContact O-N 2.86Å | ||
| 455 | E | 94.4 | Very high | 92.1 | Very high | 103 Ų | 103 | 100.9 Ų | 100.9 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.8 | -32.7 | 175.1 | -162.6 | 123.4 | -138.3 | 0 | 0 | 111.5 | R451 Y458 E459 | R451-E455 IonicContact CZ-OE1 3.35Å; R451-E455 IonicContact NE-OE1 2.71Å; R451-E455 PolarHBondContact NE-OE1 2.85Å; R451-E455 IonicContact NH2-OE1 2.84Å; R451-E455 PolarHBondContact NH2-OE1 3.09Å; E455-Y458 WeakPolarHBondContact O-CB 3.23Å; E455-Y458 PolarHBondContact O-N 2.95Å; E455-E459 PolarHBondContact O-N 3.25Å |
| 456 | E | 94.8 | Very high | 91 | Very high | 154 Ų | 154 | 99 Ų | 99 | 72% | 0.72 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -45.6 | 177.7 | -63.2 | 179.4 | 174.4 | 0 | 0 | 111.8 | S454 Y458 E459 E460 | S454-E456 VanDerWaalsContact C-N 3.34Å; S454-E456 PolarHBondContact OG-N 3.11Å; E456-Y458 VanDerWaalsContact C-N 3.29Å; E456-Y458 PolarHBondContact O-N 3.19Å; E456-E459 PolarHBondContact O-N 2.85Å; E456-E460 PolarHBondContact O-N 2.97Å |
| 457 | L | 92.9 | Very high | 89.9 | Confident | 98 Ų | 98 | 103.1 Ų | 103.1 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.6 | -34.8 | 178.1 | -69.5 | 177.8 | 0 | 0 | 0 | 112 | L450 S454 E460 A461 | L450-L457 HydrophobicContact CD1-CB 3.89Å; L450-L457 HydrophobicContact CD1-CD1 4.11Å; L450-L457 HydrophobicContact CD2-CB 4.17Å; L450-L457 HydrophobicContact CG-CB 3.97Å; S454-L457 PolarHBondContact OG-N 3.47Å; L457-E460 PolarHBondContact O-N 2.89Å; L457-A461 WeakPolarHBondContact O-CB 3.46Å; L457-A461 PolarHBondContact O-N 3.44Å |
| 458 | Y | 93.5 | Very high | 88.9 | Confident | 57 Ų | 57 | 105.2 Ų | 105.2 | 22% | 0.224 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | 174.8 | 171.1 | -91.7 | 0 | 0 | 0 | 111.8 | L447 R451 S454 E455 E456 A461 L462 | L447-Y458 HydrophobicContact CB-CD2 4.31Å; L447-Y458 HydrophobicContact CB-CE2 4.06Å; L447-Y458 HydrophobicContact CD2-CD2 3.91Å; L447-Y458 HydrophobicContact CD2-CE2 4.03Å; L447-Y458 HydrophobicContact CG-CE2 4.46Å; L447-Y458 WeakPolarHBondContact O-CD2 3.25Å; R451-Y458 HydrophobicContact CB-CD2 3.89Å; R451-Y458 HydrophobicContact CB-CE2 4.49Å; R451-Y458 HydrophobicContact CB-CG 4.12Å; R451-Y458 HydrophobicContact CG-CD2 4.41Å; R451-Y458 HydrophobicContact CG-CG 4.29Å; S454-Y458 PolarHBondContact O-N 2.86Å; E455-Y458 WeakPolarHBondContact O-CB 3.23Å; E455-Y458 PolarHBondContact O-N 2.95Å; E456-Y458 VanDerWaalsContact C-N 3.29Å; E456-Y458 PolarHBondContact O-N 3.19Å; Y458-A461 PolarHBondContact O-N 3.34Å; Y458-L462 HydrophobicContact CD1-CD1 4.25Å; Y458-L462 HydrophobicContact CE1-CD1 3.58Å; Y458-L462 PolarHBondContact O-N 3.22Å |
| 459 | E | 93.8 | Very high | 87.4 | Confident | 116 Ų | 116 | 105.8 Ų | 105.8 | 54% | 0.542 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.7 | -42 | 176 | -71.4 | -170.8 | 169.3 | 0 | 0 | 112.4 | E455 E456 A461 L462 | E455-E459 PolarHBondContact O-N 3.25Å; E456-E459 PolarHBondContact O-N 2.85Å; E459-A461 VanDerWaalsContact C-N 3.33Å; E459-A461 PolarHBondContact O-N 3.19Å; E459-L462 PolarHBondContact O-N 3.14Å |
| 460 | E | 90.2 | Very high | 86 | Confident | 108 Ų | 108 | 105.6 Ų | 105.6 | 51% | 0.505 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.3 | -39 | 175.1 | -70.1 | -55.1 | 136.2 | 0 | 0 | 112.1 | E456 L457 L462 K463 | E456-E460 PolarHBondContact O-N 2.97Å; L457-E460 PolarHBondContact O-N 2.89Å; E460-L462 PolarHBondContact O-N 3.49Å; E460-K463 PolarHBondContact O-N 2.89Å; E460-K463 VanDerWaalsContact O-N 3.13Å; E460-K463 WeakPolarHBondContact OE1-CE 3.38Å; E460-K463 IonicContact OE1-NZ 3.94Å; E460-K463 PolarHBondContact OE1-NZ 3.2Å; E460-K463 WeakPolarHBondContact OE2-CD 3.48Å; E460-K463 IonicContact OE2-NZ 2.94Å; E460-K463 PolarHBondContact OE2-NZ 3.16Å |
| 461 | A | 90.1 | Very high | 84.7 | Confident | 52 Ų | 52 | 107.5 Ų | 107.5 | 43% | 0.43 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65 | -23.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L447 L450 L457 Y458 E459 | L447-A461 HydrophobicContact CD2-CB 4.02Å; L450-A461 HydrophobicContact CD2-CB 3.88Å; L457-A461 WeakPolarHBondContact O-CB 3.46Å; L457-A461 PolarHBondContact O-N 3.44Å; Y458-A461 PolarHBondContact O-N 3.34Å; E459-A461 VanDerWaalsContact C-N 3.33Å; E459-A461 PolarHBondContact O-N 3.19Å |
| 462 | L | 89.3 | Confident | 83.5 | Confident | 101 Ų | 101 | 110.3 Ų | 110.3 | 53% | 0.529 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -82.5 | -17.7 | 175.7 | -73.3 | 174.2 | 0 | 0 | 0 | 113.5 | L447 Y458 E459 E460 | L447-L462 HydrophobicContact CD1-CD2 4.49Å; Y458-L462 HydrophobicContact CD1-CD1 4.25Å; Y458-L462 HydrophobicContact CE1-CD1 3.58Å; Y458-L462 PolarHBondContact O-N 3.22Å; E459-L462 PolarHBondContact O-N 3.14Å; E460-L462 PolarHBondContact O-N 3.49Å |
| 463 | K | 87.7 | Confident | 82.1 | Confident | 124 Ų | 124 | 113.7 Ų | 113.7 | 54% | 0.539 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -69.5 | 134.6 | -179 | -69.5 | 178.5 | -172.8 | 172.4 | 0 | 110.3 | E460 N465 | E460-K463 PolarHBondContact O-N 2.89Å; E460-K463 VanDerWaalsContact O-N 3.13Å; E460-K463 WeakPolarHBondContact OE1-CE 3.38Å; E460-K463 IonicContact OE1-NZ 3.94Å; E460-K463 PolarHBondContact OE1-NZ 3.2Å; E460-K463 WeakPolarHBondContact OE2-CD 3.48Å; E460-K463 IonicContact OE2-NZ 2.94Å; E460-K463 PolarHBondContact OE2-NZ 3.16Å; K463-N465 PolarHBondContact O-N 3.32Å |
| 464 | V | 81.6 | Confident | 80.9 | Confident | 129 Ų | 129 | 114.4 Ų | 114.4 | 78% | 0.782 | 59% | 0.59 | S | S | * | * | trans | -65.7 | 118.5 | 172.5 | 179.8 | 0 | 0 | 0 | 0 | 108 | P466 | V464-P466 VanDerWaalsContact O-CD 3.22Å; V464-P466 WeakPolarHBondContact O-CD 3.33Å | ||
| 465 | N | 77.3 | Confident | 79.4 | Confident | 90 Ų | 90 | 115.3 Ų | 115.3 | 48% | 0.481 | 60% | 0.604 | S | S | . | * | trans | -68.2 | 113.2 | 174.5 | -178.1 | -9.1 | 0 | 0 | 0 | 109.5 | K463 D467 A468 | K463-N465 PolarHBondContact O-N 3.32Å; N465-D467 PolarHBondContact O-N 3.05Å; N465-D467 WeakPolarHBondContact OD1-CB 3.42Å; N465-D467 PolarHBondContact OD1-N 2.75Å; N465-A468 HydrophobicContact CB-CB 3.85Å; N465-A468 WeakPolarHBondContact O-CB 3.48Å; N465-A468 PolarHBondContact O-N 3.46Å | ||
| 466 | P | 72.3 | Confident | 78.1 | Confident | 99 Ų | 99 | 117.7 Ų | 117.7 | 64% | 0.643 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -26.2 | -178.9 | 27.1 | -33.7 | 0 | 0 | 0 | 112.7 | V464 | V464-P466 VanDerWaalsContact O-CD 3.22Å; V464-P466 WeakPolarHBondContact O-CD 3.33Å |
| 467 | D | 72.6 | Confident | 76.5 | Confident | 140 Ų | 140 | 115.3 Ų | 115.3 | 75% | 0.749 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -19.6 | 179.6 | -61.1 | -30.9 | 0 | 0 | 0 | 112.4 | N465 L469 | N465-D467 PolarHBondContact O-N 3.05Å; N465-D467 WeakPolarHBondContact OD1-CB 3.42Å; N465-D467 PolarHBondContact OD1-N 2.75Å; D467-L469 VanDerWaalsContact C-N 3.29Å; D467-L469 PolarHBondContact O-N 2.95Å |
| 468 | A | 72.7 | Confident | 74.9 | Confident | 67 Ų | 67 | 116.3 Ų | 116.3 | 55% | 0.554 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -26.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N465 | N465-A468 HydrophobicContact CB-CB 3.85Å; N465-A468 WeakPolarHBondContact O-CB 3.48Å; N465-A468 PolarHBondContact O-N 3.46Å |
| 469 | L | 64 | Low | 73.3 | Confident | 131 Ų | 131 | 120.2 Ų | 120.2 | 69% | 0.686 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -130.7 | 90.8 | 174.9 | -74 | 169.9 | 0 | 0 | 0 | 109 | D467 S471 | D467-L469 VanDerWaalsContact C-N 3.29Å; D467-L469 PolarHBondContact O-N 2.95Å; L469-S471 PolarHBondContact O-N 3.07Å |
| 470 | P | 66.4 | Low | 72.2 | Confident | 126 Ų | 126 | 117 Ų | 117 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -71.4 | 73.9 | 178 | 29.7 | -34.5 | 0 | 0 | 0 | 109.9 | ||||
| 471 | S | 68.3 | Low | 71.3 | Confident | 89 Ų | 89 | 118.1 Ų | 118.1 | 62% | 0.622 | 67% | 0.674 | S | S | * | * | trans | -123.9 | 100.9 | 173.2 | 73.9 | 0 | 0 | 0 | 0 | 109.9 | L469 | L469-S471 PolarHBondContact O-N 3.07Š| ||
| 472 | Y | 68.2 | Low | 70.3 | Confident | 194 Ų | 194 | 120.9 Ų | 120.9 | 76% | 0.761 | 68% | 0.681 | S | S | * | * | trans | -90.4 | 114.8 | 168.7 | 175.6 | -104.1 | 0 | 0 | 0 | 108.9 | K474 | Y472-K474 HydrophobicContact CE1-CB 3.78Å; Y472-K474 HydrophobicContact CE1-CG 4.48Å | ||
| 473 | R | 65.6 | Low | 69.5 | Low | 227 Ų | 227 | 121.9 Ų | 121.9 | 86% | 0.857 | 69% | 0.694 | S | S | * | * | trans | -108.4 | 108.3 | 170.7 | -67.6 | -173.1 | -175.1 | -171 | 2.7 | 108.9 | G475 | R473-G475 PolarHBondContact O-N 2.95Š| ||
| 474 | K | 69.5 | Low | 68.8 | Low | 163 Ų | 163 | 125 Ų | 125 | 71% | 0.709 | 71% | 0.713 | S | S | * | * | trans | -80.8 | 99.2 | 165.7 | -161.3 | 174.3 | -174.5 | 177.3 | 0 | 107.5 | Y472 | Y472-K474 HydrophobicContact CE1-CB 3.78Å; Y472-K474 HydrophobicContact CE1-CG 4.48Å | ||
| 475 | G | 62.8 | Low | 68.4 | Low | 53 Ų | 53 | 125.9 Ų | 125.9 | 55% | 0.546 | 70% | 0.703 | S | S | . | * | trans | -58.6 | 156 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R473 V477 | R473-G475 PolarHBondContact O-N 2.95Å; G475-V477 PolarHBondContact O-N 3.13Å | ||
| 476 | V | 66.3 | Low | 68.2 | Low | 154 Ų | 154 | 130.1 Ų | 130.1 | 93% | 0.933 | 72% | 0.72 | S | S | * | * | trans | -65.6 | 106.1 | 168.5 | -173.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 477 | V | 61.7 | Low | 67.9 | Low | 103 Ų | 103 | 127.8 Ų | 127.8 | 62% | 0.624 | 71% | 0.706 | S | S | * | * | trans | -67.7 | 139.3 | 171.3 | -165.6 | 0 | 0 | 0 | 0 | 106.4 | G475 I479 | G475-V477 PolarHBondContact O-N 3.13Å; V477-I479 PolarHBondContact O-N 3.39Å | ||
| 478 | S | 60 | Low | 67.9 | Low | 119 Ų | 119 | 126.4 Ų | 126.4 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | trans | -63.4 | 85.4 | 168.6 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | G480 | S478-G480 PolarHBondContact O-N 2.92Š| ||
| 479 | I | 59.2 | Low | 67.8 | Low | 139 Ų | 139 | 129.7 Ų | 129.7 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 122 | 171.9 | -53.1 | 172.7 | 0 | 0 | 0 | 104.9 | V477 | V477-I479 PolarHBondContact O-N 3.39Š|
| 480 | G | 70.4 | Confident | 68 | Low | 48 Ų | 48 | 125.3 Ų | 125.3 | 50% | 0.495 | 70% | 0.7 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 163.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S478 L482 | S478-G480 PolarHBondContact O-N 2.92Å; G480-L482 PolarHBondContact O-N 2.95Å |
| 481 | P | 70.5 | Confident | 68.2 | Low | 132 Ų | 132 | 126.7 Ų | 126.7 | 86% | 0.857 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 126.9 | 178 | 22.2 | -31.8 | 0 | 0 | 0 | 110.1 | ||
| 482 | L | 69.7 | Low | 68.2 | Low | 111 Ų | 111 | 131.5 Ų | 131.5 | 58% | 0.581 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -62 | 126.1 | 174.3 | -77.4 | 163.7 | 0 | 0 | 0 | 108.3 | G480 M484 Y485 | G480-L482 PolarHBondContact O-N 2.95Å; L482-M484 PolarHBondContact O-N 3.42Å; L482-Y485 HydrophobicContact CB-CG 4.36Å; L482-Y485 HydrophobicContact CD1-CD2 4.3Å; L482-Y485 HydrophobicContact CD1-CG 4.45Å; L482-Y485 WeakPolarHBondContact O-CB 3.27Å; L482-Y485 PolarHBondContact O-N 2.86Å; L482-Y485 VanDerWaalsContact O-N 3.13Å |
| 483 | P | 73 | Confident | 68.6 | Low | 121 Ų | 121 | 130.6 Ų | 130.6 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 130.5 | 174.3 | -19.4 | 29.2 | 0 | 0 | 0 | 109.4 | Y485 | P483-Y485 VanDerWaalsContact C-N 3.29Å; P483-Y485 PolarHBondContact O-N 3.37Å |
| 484 | M | 73.6 | Confident | 69 | Low | 190 Ų | 190 | 124.4 Ų | 124.4 | 94% | 0.936 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.3 | 17.5 | 179.9 | -52.6 | -73.5 | -77.7 | 0 | 0 | 115.8 | L482 E486 | L482-M484 PolarHBondContact O-N 3.42Å; M484-E486 PolarHBondContact O-N 2.73Å |
| 485 | Y | 73.4 | Confident | 69.4 | Low | 148 Ų | 148 | 122.8 Ų | 122.8 | 58% | 0.58 | 69% | 0.694 | S | S | * | * | trans | -78.8 | 107.8 | 172 | -179.4 | -101.7 | 0 | 0 | 0 | 111.3 | L482 P483 S487 | L482-Y485 HydrophobicContact CB-CG 4.36Å; L482-Y485 HydrophobicContact CD1-CD2 4.3Å; L482-Y485 HydrophobicContact CD1-CG 4.45Å; L482-Y485 WeakPolarHBondContact O-CB 3.27Å; L482-Y485 PolarHBondContact O-N 2.86Å; L482-Y485 VanDerWaalsContact O-N 3.13Å; P483-Y485 VanDerWaalsContact C-N 3.29Å; P483-Y485 PolarHBondContact O-N 3.37Å; Y485-S487 PolarHBondContact O-N 2.93Å | ||
| 486 | E | 71.1 | Confident | 70.2 | Confident | 178 Ų | 178 | 125 Ų | 125 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | trans | -77.4 | 112.6 | 169.7 | -70.9 | -177 | 168.9 | 0 | 0 | 109.8 | M484 | M484-E486 PolarHBondContact O-N 2.73Š| ||
| 487 | S | 68 | Low | 70.4 | Confident | 51 Ų | 51 | 125.3 Ų | 125.3 | 36% | 0.357 | 69% | 0.686 | S | S | . | * | trans | -61.9 | 126.7 | 173.5 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | Y485 D489 G490 | Y485-S487 PolarHBondContact O-N 2.93Å; S487-D489 PolarHBondContact O-N 3.31Å; S487-D489 VanDerWaalsContact O-N 3.15Å; S487-D489 PolarHBondContact OG-N 3.28Å; S487-G490 PolarHBondContact O-N 2.94Å | ||
| 488 | P | 71 | Confident | 71 | Confident | 110 Ų | 110 | 129.8 Ų | 129.8 | 71% | 0.714 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -20 | 177.2 | 24.5 | -32.1 | 0 | 0 | 0 | 113 | G490 | P488-G490 VanDerWaalsContact C-N 3.26Š|
| 489 | D | 70.3 | Confident | 71.6 | Confident | 136 Ų | 136 | 134.5 Ų | 134.5 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 1.3 | 177.9 | -62.6 | -30 | 0 | 0 | 0 | 112.5 | S487 | S487-D489 PolarHBondContact O-N 3.31Å; S487-D489 VanDerWaalsContact O-N 3.15Å; S487-D489 PolarHBondContact OG-N 3.28Å |
| 490 | G | 68.3 | Low | 71.7 | Confident | 40 Ų | 40 | 140.7 Ų | 140.7 | 41% | 0.412 | 72% | 0.722 | S | S | . | * | trans | 75.6 | 179.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S487 P488 Y492 | S487-G490 PolarHBondContact O-N 2.94Å; P488-G490 VanDerWaalsContact C-N 3.26Å; G490-Y492 PolarHBondContact O-N 3.2Å | ||
| 491 | D | 71.1 | Confident | 71.7 | Confident | 154 Ų | 154 | 145.4 Ų | 145.4 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -66.5 | 127.5 | 175.8 | -69.1 | -33.5 | 0 | 0 | 0 | 110.3 | K493 | D491-K493 PolarHBondContact O-N 3.5Š|
| 492 | Y | 69.4 | Low | 71.8 | Confident | 190 Ų | 190 | 146.1 Ų | 146.1 | 75% | 0.745 | 73% | 0.727 | S | S | * | * | trans | -59.4 | 112.3 | 172.7 | 175.2 | -100.4 | 0 | 0 | 0 | 109.5 | G490 D494 | G490-Y492 PolarHBondContact O-N 3.2Å; Y492-D494 HydrophobicContact CE1-CB 3.78Å | ||
| 493 | K | 75 | Confident | 71.9 | Confident | 175 Ų | 175 | 148 Ų | 148 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | trans | -93.8 | 110.6 | 167 | -75.3 | -177.9 | 178.9 | 178.5 | 0 | 108.3 | D491 T495 | D491-K493 PolarHBondContact O-N 3.5Å; K493-T495 PolarHBondContact O-N 3.18Å | ||
| 494 | D | 74.2 | Confident | 71.8 | Confident | 98 Ų | 98 | 149.6 Ų | 149.6 | 52% | 0.524 | 73% | 0.732 | S | S | . | * | trans | -61.1 | 107.3 | 170 | -170.5 | -1.3 | 0 | 0 | 0 | 108.8 | Y492 T496 | Y492-D494 HydrophobicContact CE1-CB 3.78Å; D494-T496 VanDerWaalsContact C-N 3.35Å; D494-T496 WeakPolarHBondContact OD1-CB 3.44Å; D494-T496 PolarHBondContact OD1-N 3.43Å; D494-T496 PolarHBondContact OD1-OG1 3.43Å | ||
| 495 | T | 79.1 | Confident | 71.7 | Confident | 129 Ų | 129 | 147.1 Ų | 147.1 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | trans | -98.2 | 8.7 | 176.9 | 47.7 | 0 | 0 | 0 | 0 | 111.4 | K493 K497 | K493-T495 PolarHBondContact O-N 3.18Å; T495-K497 PolarHBondContact O-N 3.5Å; T495-K497 VanDerWaalsContact O-N 3.15Å | ||
| 496 | T | 78.5 | Confident | 71.6 | Confident | 100 Ų | 100 | 147 Ų | 147 | 61% | 0.613 | 73% | 0.729 | S | S | * | * | trans | -63.2 | 120.3 | 179.5 | -43.7 | 0 | 0 | 0 | 0 | 108.8 | D494 K498 | D494-T496 VanDerWaalsContact C-N 3.35Å; D494-T496 WeakPolarHBondContact OD1-CB 3.44Å; D494-T496 PolarHBondContact OD1-N 3.43Å; D494-T496 PolarHBondContact OD1-OG1 3.43Å; T496-K498 PolarHBondContact O-N 3.41Å | ||
| 497 | K | 71.6 | Confident | 71.7 | Confident | 160 Ų | 160 | 144.8 Ų | 144.8 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | trans | -61.5 | 110.7 | 178.7 | -131.1 | 178.6 | -177.2 | -176.7 | 0 | 108.2 | T495 W499 | T495-K497 PolarHBondContact O-N 3.5Å; T495-K497 VanDerWaalsContact O-N 3.15Å; K497-W499 HydrophobicContact CD-CZ2 4.44Å; K497-W499 PolarHBondContact O-N 2.92Å | ||
| 498 | K | 72.9 | Confident | 71.9 | Confident | 196 Ų | 196 | 152 Ų | 152 | 85% | 0.852 | 75% | 0.75 | S | S | * | * | trans | -73 | 119.8 | 166.2 | -72 | -173.4 | 178.3 | -178.8 | 0 | 107.3 | T496 | T496-K498 PolarHBondContact O-N 3.41Š| ||
| 499 | W | 73 | Confident | 72 | Confident | 219 Ų | 219 | 155.5 Ų | 155.5 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | trans | -85.4 | 122.6 | 168 | -57.9 | 87.2 | 0 | 0 | 0 | 106 | K497 | K497-W499 HydrophobicContact CD-CZ2 4.44Å; K497-W499 PolarHBondContact O-N 2.92Å | ||
| 500 | E | 60.8 | Low | 72.2 | Confident | 269 Ų | 269 | 157.3 Ų | 157.3 | 100% | 1.257 | 76% | 0.755 | S | S | * | * | trans | -70.3 | 0 | 166 | -78 | -176.9 | 166.6 | 0 | 0 | 111 |
Retrieved 500 of 500 residues in 1042.5 ms
(Link to these results)