| 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 | 47 | Very low | 81.7 | Confident | 208 Ų | 208 | 66.9 Ų | 66.9 | 100% | 1.025 | 33% | 0.327 | S | S | * | . | 0 | 103.1 | 0 | -99.5 | -175.2 | -106.6 | 0 | 0 | 106.2 | I3 | M1-I3 PolarHBondContact O-N 3.43Š| |||
| 2 | D | 57.3 | Low | 82.7 | Confident | 143 Ų | 143 | 61.3 Ų | 61.3 | 77% | 0.765 | 30% | 0.3 | S | S | * | . | trans | -82.6 | 109.1 | -177.6 | -63.2 | -39.2 | 0 | 0 | 0 | 109.2 | L4 | D2-L4 PolarHBondContact O-N 3.49Å; D2-L4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | I | 62.6 | Low | 83.6 | Confident | 103 Ų | 103 | 56.6 Ų | 56.6 | 53% | 0.528 | 28% | 0.277 | S | S | . | . | trans | -66.4 | 112.3 | 171.1 | -63.3 | 171.4 | 0 | 0 | 0 | 107 | M1 W5 Q6 | M1-I3 PolarHBondContact O-N 3.43Å; I3-W5 VanDerWaalsContact CG2-O 3.22Å; I3-W5 WeakPolarHBondContact CG2-O 3.35Å; I3-W5 PolarHBondContact O-N 2.98Å; I3-Q6 HydrophobicContact CG2-CG 4.14Å | ||
| 4 | L | 78.7 | Confident | 84.3 | Confident | 102 Ų | 102 | 52.6 Ų | 52.6 | 53% | 0.534 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -62.6 | -32.7 | 179.7 | -75.3 | 163.8 | 0 | 0 | 0 | 112.1 | D2 K57 | D2-L4 PolarHBondContact O-N 3.49Å; D2-L4 VanDerWaalsContact O-N 3.16Å; L4-K57 WeakPolarHBondContact O-CD 3.4Å |
| 5 | W | 85.9 | Confident | 85 | Confident | 30 Ų | 30 | 49.3 Ų | 49.3 | 11% | 0.114 | 24% | 0.242 | C | C | . | . | trans | -170.8 | 150.3 | 174 | 46.5 | -87 | 0 | 0 | 0 | 108.9 | I3 Y7 Q8 K57 K59 S191 G192 | I3-W5 VanDerWaalsContact CG2-O 3.22Å; I3-W5 WeakPolarHBondContact CG2-O 3.35Å; I3-W5 PolarHBondContact O-N 2.98Å; W5-Y7 VanDerWaalsContact CE3-O 3.3Å; W5-Q8 HydrophobicContact CE3-CB 3.94Å; W5-Q8 HydrophobicContact CH2-CB 3.78Å; W5-Q8 HydrophobicContact CZ3-CB 3.42Å; W5-Q8 VanDerWaalsContact CZ3-CB 3.42Å; W5-K57 CarbonylContact C-O 3.49Å; W5-K57 WeakPolarHBondContact CA-O 3.04Å; W5-K57 HydrophobicContact CB-CG 4.27Å; W5-K59 HydrophobicContact CB-CB 4.1Å; W5-K59 HydrophobicContact CD2-CB 3.91Å; W5-K59 HydrophobicContact CD2-CD 4.39Å; W5-K59 HydrophobicContact CE3-CB 4.41Å; W5-K59 HydrophobicContact CG-CB 3.74Å; W5-K59 HydrophobicContact CG-CD 4.47Å; W5-K59 HydrophobicContact CZ2-CD 4.44Å; W5-S191 WeakPolarHBondContact CZ3-O 3.45Å; W5-G192 VanDerWaalsContact CE3-CA 3.45Å; W5-G192 VanDerWaalsContact CZ3-N 3.35Å; W5-G192 VanDerWaalsContact O-CA 3.26Å; W5-G192 WeakPolarHBondContact O-CA 3.32Å | ||
| 6 | Q | 90.4 | Very high | 85.5 | Confident | 53 Ų | 53 | 47.6 Ų | 47.6 | 25% | 0.248 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -89.8 | -34.4 | -179.8 | -63.5 | -173.6 | 17.7 | 0 | 0 | 112.9 | I3 G55 I56 K57 G192 | I3-Q6 HydrophobicContact CG2-CG 4.14Å; Q6-G55 PolarHBondContact NE2-O 3.14Å; Q6-I56 VanDerWaalsContact OE1-CD1 3.31Å; Q6-K57 PolarHBondContact N-O 2.74Å; Q6-G192 PolarHBondContact O-N 2.73Å |
| 7 | Y | 93.4 | Very high | 85.8 | Confident | 61 Ų | 61 | 47 Ų | 47 | 24% | 0.239 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 151.8 | 176.7 | -57.2 | -78 | 0 | 0 | 0 | 111.1 | W5 F9 I58 K59 Y172 M175 K190 | W5-Y7 VanDerWaalsContact CE3-O 3.3Å; Y7-F9 HydrophobicContact CG-CE1 4.36Å; Y7-I58 CarbonylContact O-C 3.51Å; Y7-I58 WeakPolarHBondContact O-CA 3.42Å; Y7-K59 PolarHBondContact O-N 3.37Å; Y7-Y172 HydrophobicContact CD2-CD2 4.25Å; Y7-Y172 HydrophobicContact CD2-CE2 4.06Å; Y7-Y172 HydrophobicContact CE2-CD2 4.29Å; Y7-Y172 AromaticContact CE2-CE2 3.73Å; Y7-Y172 HydrophobicContact CE2-CE2 3.73Å; Y7-M175 HydrophobicContact CD1-CE 3.47Å; Y7-M175 VanDerWaalsContact CD1-CE 3.47Å; Y7-M175 HydrophobicContact CD1-SD 4.35Å; Y7-M175 HydrophobicContact CE1-CE 3.41Å; Y7-M175 VanDerWaalsContact CE1-CE 3.41Å; Y7-M175 HydrophobicContact CG-CE 4.14Å; Y7-M175 HydrophobicContact CG-SD 4.49Å; Y7-K190 CarbonylContact C-O 3.6Å; Y7-K190 VanDerWaalsContact CA-O 3.27Å; Y7-K190 WeakPolarHBondContact CA-O 3.46Å |
| 8 | Q | 95.4 | Very high | 86.2 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.5 | 170.2 | -179.6 | -173.8 | -89.4 | 0 | 0 | 108.7 | W5 K59 Q61 V189 K190 | W5-Q8 HydrophobicContact CE3-CB 3.94Å; W5-Q8 HydrophobicContact CH2-CB 3.78Å; W5-Q8 HydrophobicContact CZ3-CB 3.42Å; W5-Q8 VanDerWaalsContact CZ3-CB 3.42Å; Q8-K59 CarbonylContact C-O 3.51Å; Q8-K59 WeakPolarHBondContact CA-O 3.35Å; Q8-K59 HydrophobicContact CB-CB 4.32Å; Q8-K59 HydrophobicContact CG-CB 4.28Å; Q8-K59 HydrophobicContact CG-CD 4.4Å; Q8-K59 HydrophobicContact CG-CG 4.32Å; Q8-K59 WeakPolarHBondContact CG-O 3.38Å; Q8-Q61 VanDerWaalsContact CD-CD 3.4Å; Q8-Q61 HydrophobicContact CG-CG 3.91Å; Q8-V189 WeakPolarHBondContact O-CA 3.37Å; Q8-K190 HydrophobicContact CB-CB 4.28Å; Q8-K190 PolarHBondContact N-O 3.48Å; Q8-K190 PolarHBondContact O-N 2.82Å |
| 9 | F | 96.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.5 | 176.6 | -60.7 | -17.4 | 0 | 0 | 0 | 110.8 | Y7 I11 I58 K59 L60 Q61 V83 S168 I171 M175 V189 | Y7-F9 HydrophobicContact CG-CE1 4.36Å; F9-I11 HydrophobicContact CB-CD1 4.04Å; F9-I58 HydrophobicContact CD1-CG2 4.49Å; F9-I58 HydrophobicContact CD2-CD1 4.24Å; F9-I58 HydrophobicContact CD2-CG2 3.72Å; F9-I58 HydrophobicContact CE2-CD1 3.47Å; F9-I58 VanDerWaalsContact CE2-CD1 3.47Å; F9-I58 HydrophobicContact CE2-CG1 4.44Å; F9-I58 HydrophobicContact CE2-CG2 4Å; F9-I58 HydrophobicContact CG-CG2 3.99Å; F9-I58 HydrophobicContact CZ-CD1 3.68Å; F9-I58 HydrophobicContact CZ-CG1 4.47Å; F9-I58 HydrophobicContact CZ-CG2 4.45Å; F9-K59 PolarHBondContact N-O 3.34Å; F9-L60 HydrophobicContact CB-CD2 3.89Å; F9-L60 HydrophobicContact CD2-CD2 4.25Å; F9-L60 HydrophobicContact CG-CD2 4.49Å; F9-Q61 PolarHBondContact O-N 3.09Å; F9-V83 HydrophobicContact CB-CG1 3.85Å; F9-V83 HydrophobicContact CD1-CG1 4.47Å; F9-V83 HydrophobicContact CG-CG1 4.23Å; F9-S168 WeakPolarHBondContact CE2-O 3.44Å; F9-I171 HydrophobicContact CD1-CG2 4.14Å; F9-I171 HydrophobicContact CD2-CB 4.01Å; F9-I171 HydrophobicContact CD2-CD1 4.01Å; F9-I171 HydrophobicContact CD2-CG2 3.77Å; F9-I171 HydrophobicContact CE1-CG2 3.93Å; F9-I171 HydrophobicContact CE2-CB 3.68Å; F9-I171 HydrophobicContact CE2-CG2 3.46Å; F9-I171 VanDerWaalsContact CE2-CG2 3.46Å; F9-I171 HydrophobicContact CG-CG2 4.11Å; F9-I171 HydrophobicContact CZ-CB 4.24Å; F9-I171 HydrophobicContact CZ-CG2 3.58Å; F9-M175 HydrophobicContact CE1-SD 3.41Å; F9-M175 WeakPolarHBondContact CE1-SD 3.25Å; F9-M175 HydrophobicContact CZ-SD 3.65Å; F9-V189 HydrophobicContact CD1-CG1 4.16Å; F9-V189 HydrophobicContact CD1-CG2 4.14Å; F9-V189 HydrophobicContact CE1-CG1 3.97Å; F9-V189 HydrophobicContact CE1-CG2 4.35Å |
| 10 | R | 95.4 | Very high | 87.1 | Confident | 25 Ų | 25 | 45.7 Ų | 45.7 | 9% | 0.094 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 115.5 | 173 | -156.6 | -175.6 | -141.7 | -132.7 | 15 | 109.8 | Q61 N81 S82 V83 G84 G188 | R10-Q61 WeakPolarHBondContact CA-O 3.49Å; R10-Q61 HydrophobicContact CG-CB 4.34Å; R10-N81 WeakPolarHBondContact CB-O 2.84Å; R10-N81 WeakPolarHBondContact CD-O 3.44Å; R10-S82 WeakPolarHBondContact O-CA 3.45Å; R10-V83 PolarHBondContact O-N 3.39Å; R10-G84 PolarHBondContact O-N 2.88Å; R10-G188 PolarHBondContact N-O 2.95Å |
| 11 | I | 96.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134.9 | -175.8 | -49.2 | -59.2 | 0 | 0 | 0 | 109.1 | F9 L60 Q61 L62 W63 V83 G84 L86 L167 I171 | F9-I11 HydrophobicContact CB-CD1 4.04Å; I11-L60 HydrophobicContact CG1-CD2 4.08Å; I11-Q61 PolarHBondContact N-O 3.4Å; I11-L62 HydrophobicContact CB-CD2 3.88Å; I11-L62 HydrophobicContact CG1-CD2 4.19Å; I11-L62 HydrophobicContact CG2-CD2 4.39Å; I11-L62 WeakPolarHBondContact O-CA 3.48Å; I11-W63 PolarHBondContact O-N 3.34Å; I11-V83 HydrophobicContact CD1-CG1 4.43Å; I11-G84 VanDerWaalsContact CA-O 3.3Å; I11-G84 WeakPolarHBondContact CA-O 3.34Å; I11-L86 HydrophobicContact CG2-CG 4.46Å; I11-L167 HydrophobicContact CD1-CD2 3.94Å; I11-L167 HydrophobicContact CD1-CG 4.32Å; I11-L167 HydrophobicContact CG1-CD2 4.49Å; I11-L167 HydrophobicContact CG2-CD2 3.6Å; I11-I171 HydrophobicContact CD1-CD1 3.66Å |
| 12 | I | 94 | Very high | 89.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 140.5 | 176.8 | -164.3 | 170.8 | 0 | 0 | 0 | 111.1 | L14 W63 T65 T75 Y79 G84 G85 L86 M116 | I12-L14 HydrophobicContact CD1-CD2 4.16Å; I12-L14 HydrophobicContact CG1-CD2 4.26Å; I12-L14 HydrophobicContact CG2-CD1 4.22Å; I12-L14 HydrophobicContact CG2-CD2 4.3Å; I12-L14 HydrophobicContact CG2-CG 4.14Å; I12-W63 HydrophobicContact CB-CB 4.45Å; I12-W63 HydrophobicContact CG1-CB 4.09Å; I12-T65 HydrophobicContact CD1-CG2 3.56Å; I12-T65 HydrophobicContact CG1-CG2 3.53Å; I12-T75 HydrophobicContact CD1-CG2 4.23Å; I12-Y79 HydrophobicContact CD1-CD1 3.54Å; I12-Y79 HydrophobicContact CD1-CE1 3.7Å; I12-G84 PolarHBondContact N-O 3.36Å; I12-G85 CarbonylContact O-C 3.55Å; I12-G85 WeakPolarHBondContact O-CA 3.35Å; I12-L86 PolarHBondContact O-N 3.16Å; I12-M116 HydrophobicContact CG2-CE 4.17Å; I12-M116 HydrophobicContact CG2-SD 4Å |
| 13 | L | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 134 | 170.7 | -78.4 | 70 | 0 | 0 | 0 | 109.6 | K21 L24 L25 W63 T65 L86 F164 | L13-K21 HydrophobicContact CB-CB 4.16Å; L13-K21 HydrophobicContact CB-CD 3.99Å; L13-K21 HydrophobicContact CB-CG 4.24Å; L13-K21 HydrophobicContact CD2-CB 3.91Å; L13-K21 HydrophobicContact CD2-CG 4.47Å; L13-K21 WeakPolarHBondContact CD2-O 3.35Å; L13-L24 HydrophobicContact CD2-CD2 4.4Å; L13-L25 HydrophobicContact CD1-CD1 3.88Å; L13-L25 HydrophobicContact CD1-CD2 3.76Å; L13-L25 HydrophobicContact CD1-CG 3.95Å; L13-L25 HydrophobicContact CD2-CD1 3.76Å; L13-L25 HydrophobicContact CD2-CD2 4.18Å; L13-L25 HydrophobicContact CD2-CG 3.54Å; L13-L25 HydrophobicContact CG-CD1 4.29Å; L13-L25 HydrophobicContact CG-CG 4.35Å; L13-W63 PolarHBondContact N-O 3.47Å; L13-T65 WeakPolarHBondContact O-CG2 3.36Å; L13-T65 PolarHBondContact O-OG1 3.23Å; L13-L86 HydrophobicContact CD1-CD1 4.11Å; L13-L86 HydrophobicContact CG-CB 4.13Å; L13-L86 HydrophobicContact CG-CD1 4.12Å; L13-F164 HydrophobicContact CD1-CE1 4.45Å |
| 14 | L | 93.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 149.3 | -174.1 | -58.7 | 165.3 | 0 | 0 | 0 | 109.1 | I12 Y79 L86 L87 V88 W103 V107 Y118 | I12-L14 HydrophobicContact CD1-CD2 4.16Å; I12-L14 HydrophobicContact CG1-CD2 4.26Å; I12-L14 HydrophobicContact CG2-CD1 4.22Å; I12-L14 HydrophobicContact CG2-CD2 4.3Å; I12-L14 HydrophobicContact CG2-CG 4.14Å; L14-Y79 HydrophobicContact CD2-CD1 4.26Å; L14-Y79 HydrophobicContact CD2-CE1 3.55Å; L14-L86 PolarHBondContact N-O 3.21Å; L14-L87 HydrophobicContact CB-CD2 4.02Å; L14-L87 HydrophobicContact CD1-CD2 3.92Å; L14-V88 PolarHBondContact O-N 3.39Å; L14-W103 HydrophobicContact CB-CE3 4.47Å; L14-W103 HydrophobicContact CD2-CE3 4.42Å; L14-V107 HydrophobicContact CD1-CB 4.37Å; L14-V107 HydrophobicContact CD1-CG2 3.56Å; L14-V107 HydrophobicContact CD2-CG2 3.73Å; L14-V107 HydrophobicContact CG-CG2 4.29Å; L14-Y118 HydrophobicContact CD1-CE1 4.06Å |
| 15 | G | 94.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 3% | 0.031 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 138.3 | 167.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | K21 G67 V88 W103 | G15-K21 PolarHBondContact O-NZ 2.96Å; G15-G67 VanDerWaalsContact O-CA 3.27Å; G15-G67 WeakPolarHBondContact O-CA 3.34Å; G15-V88 WeakPolarHBondContact CA-O 3.48Å; G15-W103 VanDerWaalsContact C-CE2 3.42Å; G15-W103 VanDerWaalsContact C-NE1 3.34Å; G15-W103 WeakPolarHBondContact O-CZ2 3.36Å |
| 16 | D | 93.2 | Very high | 94.5 | Very high | 23 Ų | 23 | 22.4 Ų | 22.4 | 12% | 0.123 | 12% | 0.121 | C | C | . | . | trans | -58.6 | 163 | -176 | -78.7 | 18.4 | 0 | 0 | 0 | 113.2 | V19 K21 G67 T96 H99 W103 | D16-V19 HydrophobicContact CB-CG1 3.8Å; D16-V19 WeakPolarHBondContact O-CG2 3.49Å; D16-K21 PolarHBondContact O-NZ 2.94Å; D16-G67 CarbonylContact C-O 3.57Å; D16-T96 HydrophobicContact CB-CG2 3.89Å; D16-H99 IonicContact OD1-CG 3.34Å; D16-H99 IonicContact OD1-ND1 3.31Å; D16-H99 PolarHBondContact OD1-ND1 3.1Å; D16-H99 IonicContact OD2-CE1 3.73Å; D16-H99 IonicContact OD2-CG 2.73Å; D16-H99 IonicContact OD2-ND1 2.79Å; D16-H99 PolarHBondContact OD2-ND1 2.6Å; D16-W103 PolarHBondContact OD1-NE1 3.02Å | ||
| 17 | S | 90.6 | Very high | 94.8 | Very high | 37 Ų | 37 | 22 Ų | 22 | 26% | 0.259 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 151.2 | 167.9 | -165.6 | 0 | 0 | 0 | 0 | 110 | V19 G67 | S17-V19 PolarHBondContact O-N 3.31Å; S17-V19 VanDerWaalsContact O-N 3.08Å; S17-G67 PolarHBondContact N-O 3.18Å |
| 18 | T | 92.6 | Very high | 95 | Very high | 102 Ų | 102 | 19.4 Ų | 19.4 | 63% | 0.626 | 11% | 0.107 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | -2.9 | 176.6 | 77.7 | 0 | 0 | 0 | 0 | 117.4 | G20 K124 | T18-G20 PolarHBondContact O-N 3.16Å; T18-K124 WeakPolarHBondContact O-CE 3.18Å; T18-K124 PolarHBondContact O-NZ 2.8Å |
| 19 | V | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -65.6 | -19.3 | 176.6 | -57.9 | 0 | 0 | 0 | 0 | 113.7 | D16 S17 K21 V88 D90 T96 H123 | D16-V19 HydrophobicContact CB-CG1 3.8Å; D16-V19 WeakPolarHBondContact O-CG2 3.49Å; S17-V19 PolarHBondContact O-N 3.31Å; S17-V19 VanDerWaalsContact O-N 3.08Å; V19-K21 HydrophobicContact CG2-CD 4.35Å; V19-K21 HydrophobicContact CG2-CG 3.67Å; V19-V88 HydrophobicContact CB-CG1 4.39Å; V19-V88 HydrophobicContact CG2-CB 4.07Å; V19-V88 HydrophobicContact CG2-CG1 3.91Å; V19-D90 HydrophobicContact CB-CB 4.38Å; V19-D90 HydrophobicContact CG1-CB 4.32Å; V19-T96 HydrophobicContact CG1-CG2 3.7Å; V19-H123 PolarHBondContact O-CD2 2.97Å |
| 20 | G | 95.4 | Very high | 94.7 | Very high | 13 Ų | 13 | 24.6 Ų | 24.6 | 13% | 0.134 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 105.5 | 21.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | T18 S22 S23 L24 | T18-G20 PolarHBondContact O-N 3.16Å; G20-S22 PolarHBondContact O-N 3Å; G20-S23 PolarHBondContact O-N 3.36Å; G20-L24 WeakPolarHBondContact O-CB 3.33Å; G20-L24 PolarHBondContact O-N 3.13Å |
| 21 | K | 95.5 | Very high | 94.6 | Very high | 9 Ų | 9 | 25.5 Ų | 25.5 | 4% | 0.039 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -52.5 | -51.7 | 178.3 | -60.5 | -173.6 | -60.7 | -75.8 | 0 | 112.9 | L13 G15 D16 V19 S23 L24 L25 D64 T65 V88 | L13-K21 HydrophobicContact CB-CB 4.16Å; L13-K21 HydrophobicContact CB-CD 3.99Å; L13-K21 HydrophobicContact CB-CG 4.24Å; L13-K21 HydrophobicContact CD2-CB 3.91Å; L13-K21 HydrophobicContact CD2-CG 4.47Å; L13-K21 WeakPolarHBondContact CD2-O 3.35Å; G15-K21 PolarHBondContact O-NZ 2.96Å; D16-K21 PolarHBondContact O-NZ 2.94Å; V19-K21 HydrophobicContact CG2-CD 4.35Å; V19-K21 HydrophobicContact CG2-CG 3.67Å; K21-S23 PolarHBondContact O-N 3.09Å; K21-L24 WeakPolarHBondContact O-CB 3.32Å; K21-L24 PolarHBondContact O-N 3.46Å; K21-L25 PolarHBondContact O-N 2.87Å; K21-D64 VanDerWaalsContact CB-OD1 3.3Å; K21-D64 WeakPolarHBondContact CB-OD1 3.23Å; K21-T65 WeakPolarHBondContact CE-O 3.47Å; K21-V88 HydrophobicContact CG-CB 4.14Å; K21-V88 HydrophobicContact CG-CG2 4.21Å |
| 22 | S | 94.7 | Very high | 94.4 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 178.9 | -36.5 | 0 | 0 | 0 | 0 | 112.4 | G20 L24 L25 K26 T40 D64 | G20-S22 PolarHBondContact O-N 3Å; S22-L24 VanDerWaalsContact C-N 3.35Å; S22-L25 PolarHBondContact O-N 3.29Å; S22-K26 WeakPolarHBondContact O-CB 3.48Å; S22-K26 WeakPolarHBondContact O-CG 3.11Å; S22-K26 PolarHBondContact O-N 2.98Å; S22-T40 PolarHBondContact OG-OG1 3.44Å; S22-D64 WeakPolarHBondContact CA-OD2 3.18Å; S22-D64 WeakPolarHBondContact CB-OD2 3.42Å; S22-D64 PolarHBondContact N-OD1 3.34Å; S22-D64 PolarHBondContact OG-OD2 3.25Å |
| 23 | S | 95.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 33.8 Ų | 33.8 | 14% | 0.14 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.9 | -37.6 | 177.7 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | G20 K21 R27 A154 | G20-S23 PolarHBondContact O-N 3.36Å; K21-S23 PolarHBondContact O-N 3.09Å; S23-R27 VanDerWaalsContact O-CB 3.27Å; S23-R27 WeakPolarHBondContact O-CB 3.22Å; S23-R27 PolarHBondContact O-N 3.2Å; S23-A154 WeakPolarHBondContact O-CB 3.33Å |
| 24 | L | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.5 | -44.1 | 173.9 | -179.8 | 63.3 | 0 | 0 | 0 | 111.1 | L13 G20 K21 S22 F28 V88 I121 V160 F164 | L13-L24 HydrophobicContact CD2-CD2 4.4Å; G20-L24 WeakPolarHBondContact O-CB 3.33Å; G20-L24 PolarHBondContact O-N 3.13Å; K21-L24 WeakPolarHBondContact O-CB 3.32Å; K21-L24 PolarHBondContact O-N 3.46Å; S22-L24 VanDerWaalsContact C-N 3.35Å; L24-F28 WeakPolarHBondContact O-CB 3.44Å; L24-F28 PolarHBondContact O-N 3.31Å; L24-V88 HydrophobicContact CD2-CG2 4.4Å; L24-I121 HydrophobicContact CD2-CG2 4.28Å; L24-V160 HydrophobicContact CD1-CB 4.31Å; L24-V160 HydrophobicContact CD1-CG1 3.88Å; L24-V160 HydrophobicContact CD1-CG2 3.89Å; L24-F164 HydrophobicContact CD1-CE2 4.43Å; L24-F164 HydrophobicContact CG-CE2 4.17Å; L24-F164 HydrophobicContact CG-CZ 4.36Å |
| 25 | L | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -52.1 | 176.3 | -81.5 | 171.3 | 0 | 0 | 0 | 112.7 | L13 K21 S22 R27 F28 T29 Y46 L62 D64 F164 | L13-L25 HydrophobicContact CD1-CD1 3.88Å; L13-L25 HydrophobicContact CD1-CD2 3.76Å; L13-L25 HydrophobicContact CD1-CG 3.95Å; L13-L25 HydrophobicContact CD2-CD1 3.76Å; L13-L25 HydrophobicContact CD2-CD2 4.18Å; L13-L25 HydrophobicContact CD2-CG 3.54Å; L13-L25 HydrophobicContact CG-CD1 4.29Å; L13-L25 HydrophobicContact CG-CG 4.35Å; K21-L25 PolarHBondContact O-N 2.87Å; S22-L25 PolarHBondContact O-N 3.29Å; L25-R27 PolarHBondContact O-N 3.16Å; L25-F28 CarbonylContact O-C 3.55Å; L25-F28 WeakPolarHBondContact O-CA 3.36Å; L25-F28 WeakPolarHBondContact O-CB 3.35Å; L25-F28 PolarHBondContact O-N 2.71Å; L25-T29 PolarHBondContact O-N 3.43Å; L25-T29 PolarHBondContact O-OG1 3.29Å; L25-Y46 HydrophobicContact CB-CD2 4.43Å; L25-Y46 HydrophobicContact CD1-CD2 4.18Å; L25-Y46 HydrophobicContact CD1-CE2 4.43Å; L25-L62 HydrophobicContact CD2-CB 3.59Å; L25-L62 HydrophobicContact CD2-CD1 3.56Å; L25-L62 HydrophobicContact CD2-CD2 4.36Å; L25-L62 HydrophobicContact CD2-CG 4.02Å; L25-D64 HydrophobicContact CD1-CB 3.42Å; L25-D64 VanDerWaalsContact CD1-CB 3.42Å; L25-F164 HydrophobicContact CD2-CE1 4.01Å; L25-F164 HydrophobicContact CD2-CZ 3.91Å |
| 26 | K | 94.3 | Very high | 93 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 40% | 0.404 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.5 | -37.3 | 177.9 | -72.6 | 177.2 | 179.8 | 178.1 | 0 | 111.7 | S22 D30 G31 I32 Y46 | S22-K26 WeakPolarHBondContact O-CB 3.48Å; S22-K26 WeakPolarHBondContact O-CG 3.11Å; S22-K26 PolarHBondContact O-N 2.98Å; K26-D30 WeakPolarHBondContact O-CA 3.33Å; K26-D30 WeakPolarHBondContact O-CB 3.39Å; K26-D30 PolarHBondContact O-N 3.01Å; K26-G31 PolarHBondContact O-N 2.78Å; K26-I32 CarbonylContact C-O 3.59Å; K26-I32 PolarHBondContact O-N 3.34Å; K26-Y46 VanDerWaalsContact CE-OH 3.24Å; K26-Y46 WeakPolarHBondContact CE-OH 3.35Å; K26-Y46 HydrophobicContact CG-CE1 4.28Å |
| 27 | R | 96.8 | Very high | 92.2 | Very high | 45 Ų | 45 | 49.8 Ų | 49.8 | 17% | 0.17 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 173.3 | 179.1 | 58.2 | 73.4 | 171.4 | 19.7 | 111.2 | S23 L25 G31 I32 A154 K155 N157 V160 | S23-R27 VanDerWaalsContact O-CB 3.27Å; S23-R27 WeakPolarHBondContact O-CB 3.22Å; S23-R27 PolarHBondContact O-N 3.2Å; L25-R27 PolarHBondContact O-N 3.16Å; R27-G31 PolarHBondContact NH1-O 2.6Å; R27-G31 WeakPolarHBondContact O-CA 3.29Å; R27-G31 PolarHBondContact O-N 3.34Å; R27-G31 VanDerWaalsContact O-N 3.13Å; R27-I32 VanDerWaalsContact CA-O 3.24Å; R27-I32 WeakPolarHBondContact CA-O 3.46Å; R27-I32 PolarHBondContact N-O 3.05Å; R27-A154 HydrophobicContact CB-CB 4.08Å; R27-A154 VanDerWaalsContact CZ-O 3.31Å; R27-A154 PolarHBondContact NE-O 3Å; R27-A154 PolarHBondContact NH2-O 3.33Å; R27-K155 PolarHBondContact NH2-O 3Å; R27-K155 VanDerWaalsContact NH2-O 3.16Å; R27-N157 WeakPolarHBondContact CD-OD1 3.32Å; R27-N157 HydrophobicContact CG-CB 4.49Å; R27-N157 WeakPolarHBondContact CG-OD1 3.31Å; R27-V160 HydrophobicContact CB-CG1 4.39Å; R27-V160 HydrophobicContact CG-CB 4.35Å; R27-V160 HydrophobicContact CG-CG1 4.06Å; R27-V160 HydrophobicContact CG-CG2 3.97Å |
| 28 | F | 97.2 | Very high | 91.7 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 2% | 0.022 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 178.3 | 178.5 | -111.2 | 0 | 0 | 0 | 112.6 | L24 L25 R48 L50 L60 L62 V160 F164 | L24-F28 WeakPolarHBondContact O-CB 3.44Å; L24-F28 PolarHBondContact O-N 3.31Å; L25-F28 CarbonylContact O-C 3.55Å; L25-F28 WeakPolarHBondContact O-CA 3.36Å; L25-F28 WeakPolarHBondContact O-CB 3.35Å; L25-F28 PolarHBondContact O-N 2.71Å; F28-R48 HydrophobicContact CE1-CB 3.95Å; F28-R48 HydrophobicContact CE1-CG 4.21Å; F28-R48 HydrophobicContact CZ-CG 4.33Å; F28-R48 WeakPolarHBondContact O-CD 3.32Å; F28-R48 VanDerWaalsContact O-CZ 3.29Å; F28-R48 PolarHBondContact O-NE 3.41Å; F28-R48 PolarHBondContact O-NH1 3.45Å; F28-L50 HydrophobicContact CZ-CD2 4.22Å; F28-L60 HydrophobicContact CE1-CD1 4.09Å; F28-L60 HydrophobicContact CZ-CD1 4.15Å; F28-L62 HydrophobicContact CD1-CD1 3.65Å; F28-L62 HydrophobicContact CE1-CD1 3.78Å; F28-V160 HydrophobicContact CB-CG1 3.71Å; F28-V160 HydrophobicContact CD2-CG1 4.33Å; F28-F164 HydrophobicContact CB-CD2 3.94Å; F28-F164 HydrophobicContact CB-CE2 3.57Å; F28-F164 HydrophobicContact CB-CZ 4.11Å; F28-F164 AromaticContact CD1-CD1 4Å; F28-F164 HydrophobicContact CD1-CD1 4Å; F28-F164 AromaticContact CD1-CD2 3.88Å; F28-F164 HydrophobicContact CD1-CD2 3.88Å; F28-F164 HydrophobicContact CD1-CE1 4.08Å; F28-F164 AromaticContact CD1-CE2 4Å; F28-F164 HydrophobicContact CD1-CE2 4Å; F28-F164 AromaticContact CD1-CG 3.9Å; F28-F164 HydrophobicContact CD1-CG 3.9Å; F28-F164 HydrophobicContact CD1-CZ 4.09Å; F28-F164 HydrophobicContact CD2-CB 4.08Å; F28-F164 AromaticContact CD2-CD2 3.35Å; F28-F164 HydrophobicContact CD2-CD2 3.35Å; F28-F164 AromaticContact CD2-CE2 3.93Å; F28-F164 HydrophobicContact CD2-CE2 3.93Å; F28-F164 AromaticContact CD2-CG 3.81Å; F28-F164 HydrophobicContact CD2-CG 3.81Å; F28-F164 HydrophobicContact CE1-CB 4.09Å; F28-F164 AromaticContact CE1-CD1 3.9Å; F28-F164 HydrophobicContact CE1-CD1 3.9Å; F28-F164 HydrophobicContact CE1-CD2 4.22Å; F28-F164 HydrophobicContact CE1-CE1 4.4Å; F28-F164 AromaticContact CE1-CG 3.81Å; F28-F164 HydrophobicContact CE1-CG 3.81Å; F28-F164 HydrophobicContact CE2-CB 3.52Å; F28-F164 AromaticContact CE2-CD2 3.75Å; F28-F164 HydrophobicContact CE2-CD2 3.75Å; F28-F164 AromaticContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CG-CD1 4.39Å; F28-F164 AromaticContact CG-CD2 3.43Å; F28-F164 HydrophobicContact CG-CD2 3.43Å; F28-F164 VanDerWaalsContact CG-CD2 3.43Å; F28-F164 HydrophobicContact CG-CE1 4.47Å; F28-F164 AromaticContact CG-CE2 3.56Å; F28-F164 HydrophobicContact CG-CE2 3.56Å; F28-F164 AromaticContact CG-CG 3.9Å; F28-F164 HydrophobicContact CG-CG 3.9Å; F28-F164 HydrophobicContact CG-CZ 4.09Å; F28-F164 HydrophobicContact CZ-CB 3.53Å; F28-F164 HydrophobicContact CZ-CD1 4.24Å; F28-F164 HydrophobicContact CZ-CD2 4.17Å; F28-F164 AromaticContact CZ-CG 3.73Å; F28-F164 HydrophobicContact CZ-CG 3.73Å |
| 29 | T | 94.5 | Very high | 91.2 | Very high | 29 Ų | 29 | 54 Ų | 54 | 18% | 0.178 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -86.7 | -43.6 | -173.4 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | L25 Y46 R48 L62 | L25-T29 PolarHBondContact O-N 3.43Å; L25-T29 PolarHBondContact O-OG1 3.29Å; T29-Y46 HydrophobicContact CG2-CD1 4.39Å; T29-Y46 HydrophobicContact CG2-CG 4.39Å; T29-R48 HydrophobicContact CG2-CB 4.3Å; T29-L62 HydrophobicContact CG2-CD1 3.61Å |
| 30 | D | 93.1 | Very high | 90.3 | Very high | 92 Ų | 92 | 55.1 Ų | 55.1 | 49% | 0.492 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -109.9 | -10 | -167.8 | -48.5 | -18.1 | 0 | 0 | 0 | 111.2 | K26 I32 | K26-D30 WeakPolarHBondContact O-CA 3.33Å; K26-D30 WeakPolarHBondContact O-CB 3.39Å; K26-D30 PolarHBondContact O-N 3.01Å; D30-I32 HydrophobicContact CB-CB 4.32Å; D30-I32 HydrophobicContact CB-CD1 3.95Å; D30-I32 HydrophobicContact CB-CG1 4.09Å; D30-I32 PolarHBondContact O-N 3Å |
| 31 | G | 93 | Very high | 89.3 | Confident | 44 Ų | 44 | 60 Ų | 60 | 45% | 0.454 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 69.4 | 18 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K26 R27 | K26-G31 PolarHBondContact O-N 2.78Å; R27-G31 PolarHBondContact NH1-O 2.6Å; R27-G31 WeakPolarHBondContact O-CA 3.29Å; R27-G31 PolarHBondContact O-N 3.34Å; R27-G31 VanDerWaalsContact O-N 3.13Å |
| 32 | I | 91 | Very high | 88.2 | Confident | 102 Ų | 102 | 60.4 Ų | 60.4 | 52% | 0.523 | 36% | 0.355 | S | S | . | . | trans | -110.4 | 147 | -173.5 | -61.8 | 168.9 | 0 | 0 | 0 | 110.8 | K26 R27 D30 | K26-I32 CarbonylContact C-O 3.59Å; K26-I32 PolarHBondContact O-N 3.34Å; R27-I32 VanDerWaalsContact CA-O 3.24Å; R27-I32 WeakPolarHBondContact CA-O 3.46Å; R27-I32 PolarHBondContact N-O 3.05Å; D30-I32 HydrophobicContact CB-CB 4.32Å; D30-I32 HydrophobicContact CB-CD1 3.95Å; D30-I32 HydrophobicContact CB-CG1 4.09Å; D30-I32 PolarHBondContact O-N 3Å | ||
| 33 | Y | 93.3 | Very high | 87.4 | Confident | 71 Ų | 71 | 60.7 Ų | 60.7 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | trans | -135.2 | 144.5 | 168.4 | 169.3 | -92.3 | 0 | 0 | 0 | 109.3 | D35 A154 K155 | Y33-D35 VanDerWaalsContact CE1-OD1 3.25Å; Y33-D35 WeakPolarHBondContact CE1-OD1 3.41Å; Y33-D35 PolarHBondContact OH-OD1 3.5Å; Y33-A154 HydrophobicContact CD2-CB 3.86Å; Y33-A154 HydrophobicContact CE2-CB 4.35Å; Y33-K155 HydrophobicContact CD1-CB 4.38Å; Y33-K155 HydrophobicContact CD1-CG 4.26Å; Y33-K155 HydrophobicContact CD2-CB 4.32Å; Y33-K155 HydrophobicContact CE1-CB 4.02Å; Y33-K155 HydrophobicContact CE1-CD 4.24Å; Y33-K155 HydrophobicContact CE1-CG 3.79Å; Y33-K155 HydrophobicContact CE2-CB 3.93Å | ||
| 34 | S | 87.3 | Confident | 86.9 | Confident | 65 Ų | 65 | 63.1 Ų | 63.1 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | trans | -128.3 | 136.1 | 174.5 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | V36 | S34-V36 WeakPolarHBondContact CB-O 3.24Å; S34-V36 PolarHBondContact OG-N 3.47Å; S34-V36 PolarHBondContact OG-O 3.42Å | ||
| 35 | D | 82.9 | Confident | 86.5 | Confident | 119 Ų | 119 | 67.7 Ų | 67.7 | 64% | 0.636 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -71.4 | -22.6 | 171.9 | -71.5 | -61.5 | 0 | 0 | 0 | 111.9 | Y33 K155 | Y33-D35 VanDerWaalsContact CE1-OD1 3.25Å; Y33-D35 WeakPolarHBondContact CE1-OD1 3.41Å; Y33-D35 PolarHBondContact OH-OD1 3.5Å; D35-K155 IonicContact OD1-NZ 2.6Å |
| 36 | V | 82.6 | Confident | 86.4 | Confident | 114 Ų | 114 | 69.6 Ų | 69.6 | 69% | 0.691 | 40% | 0.395 | S | S | * | . | trans | -98.8 | 119.1 | 171.8 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | S34 | S34-V36 WeakPolarHBondContact CB-O 3.24Å; S34-V36 PolarHBondContact OG-N 3.47Å; S34-V36 PolarHBondContact OG-O 3.42Å | ||
| 37 | A | 77.4 | Confident | 86.3 | Confident | 64 Ų | 64 | 67.5 Ų | 67.5 | 53% | 0.529 | 40% | 0.395 | S | S | . | . | trans | -128.8 | 115.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 38 | D | 80.5 | Confident | 86.2 | Confident | 141 Ų | 141 | 69.2 Ų | 69.2 | 75% | 0.754 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 144.7 | 170.4 | -65.6 | -48.6 | 0 | 0 | 0 | 110 | T40 | D38-T40 PolarHBondContact O-N 2.95Š|
| 39 | P | 81.1 | Confident | 86.1 | Confident | 88 Ų | 88 | 71.9 Ų | 71.9 | 57% | 0.571 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 132.1 | 174.9 | -21.7 | 32.6 | 0 | 0 | 0 | 111.3 | V41 | P39-V41 PolarHBondContact O-N 2.95Š|
| 40 | T | 76.6 | Confident | 86 | Confident | 23 Ų | 23 | 71.1 Ų | 71.1 | 14% | 0.141 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 128.3 | 172.6 | -44.7 | 0 | 0 | 0 | 0 | 110.3 | S22 D38 D64 A66 | S22-T40 PolarHBondContact OG-OG1 3.44Å; D38-T40 PolarHBondContact O-N 2.95Å; T40-D64 PolarHBondContact OG1-OD2 3.28Å; T40-A66 WeakPolarHBondContact O-CB 3.37Å |
| 41 | V | 75.2 | Confident | 85.9 | Confident | 116 Ų | 116 | 71.4 Ų | 71.4 | 70% | 0.703 | 42% | 0.417 | S | S | * | . | trans | -103.9 | 112.9 | 173.6 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | P39 | P39-V41 PolarHBondContact O-N 2.95Š| ||
| 42 | G | 72.1 | Confident | 85.8 | Confident | 16 Ų | 16 | 69.6 Ų | 69.6 | 17% | 0.165 | 40% | 0.397 | C | S | . | . | S | Bend | trans | 77 | -123.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A66 | G42-A66 VanDerWaalsContact O-CB 3.28Å; G42-A66 WeakPolarHBondContact O-CB 3.38Å; G42-A66 PolarHBondContact O-N 2.9Å |
| 43 | V | 78.9 | Confident | 85.7 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 17% | 0.17 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 126 | -175.5 | -172.5 | 0 | 0 | 0 | 0 | 110.2 | W63 D64 Y78 | V43-W63 HydrophobicContact CG1-CB 4.2Å; V43-W63 HydrophobicContact CG1-CD2 4.5Å; V43-W63 HydrophobicContact CG1-CE3 3.63Å; V43-W63 HydrophobicContact CG1-CZ3 4.45Å; V43-D64 CarbonylContact C-O 3.47Å; V43-D64 WeakPolarHBondContact CA-O 3.45Å; V43-D64 VanDerWaalsContact CG1-O 3.25Å; V43-D64 WeakPolarHBondContact CG1-O 3.28Å; V43-Y78 HydrophobicContact CB-CE2 4.17Å; V43-Y78 HydrophobicContact CG1-CD1 4.26Å; V43-Y78 HydrophobicContact CG1-CE1 4.19Å; V43-Y78 HydrophobicContact CG1-CE2 4.48Å; V43-Y78 HydrophobicContact CG1-CG 4.47Å; V43-Y78 HydrophobicContact CG2-CD2 3.94Å; V43-Y78 HydrophobicContact CG2-CE2 3.66Å |
| 44 | D | 85.1 | Confident | 85.4 | Confident | 70 Ų | 70 | 74.5 Ų | 74.5 | 37% | 0.374 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 151.2 | 174.3 | -69.9 | -39.5 | 0 | 0 | 0 | 111.3 | Y46 D64 | D44-Y46 HydrophobicContact CB-CE2 3.91Å; D44-D64 HydrophobicContact CB-CB 4.12Å; D44-D64 PolarHBondContact N-O 2.95Å; D44-D64 PolarHBondContact O-N 2.86Å |
| 45 | F | 88.6 | Confident | 85.2 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 43% | 0.425 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 132.2 | -178 | 171.9 | -95.1 | 0 | 0 | 0 | 111.7 | A47 Q61 L62 W63 | F45-A47 HydrophobicContact CE1-CB 4.24Å; F45-A47 HydrophobicContact CZ-CB 4.08Å; F45-Q61 HydrophobicContact CE2-CB 3.78Å; F45-Q61 HydrophobicContact CE2-CG 3.75Å; F45-Q61 HydrophobicContact CZ-CB 4.41Å; F45-Q61 HydrophobicContact CZ-CG 3.94Å; F45-L62 WeakPolarHBondContact CA-O 3.4Å; F45-W63 HydrophobicContact CB-CE3 4.4Å; F45-W63 HydrophobicContact CB-CZ3 4.15Å; F45-W63 HydrophobicContact CD2-CD2 4.28Å; F45-W63 AromaticContact CD2-CE2 3.91Å; F45-W63 HydrophobicContact CD2-CE3 4.39Å; F45-W63 AromaticContact CD2-CH2 3.95Å; F45-W63 HydrophobicContact CD2-CH2 3.95Å; F45-W63 AromaticContact CD2-CZ2 3.74Å; F45-W63 HydrophobicContact CD2-CZ2 3.74Å; F45-W63 HydrophobicContact CD2-CZ3 4.23Å; F45-W63 HydrophobicContact CE2-CZ2 4.18Å |
| 46 | Y | 92.3 | Very high | 85.6 | Confident | 39 Ų | 39 | 70 Ų | 70 | 15% | 0.153 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 158.8 | 172.2 | -57.9 | -98 | 0 | 0 | 0 | 111.2 | L25 K26 T29 D44 L62 D64 | L25-Y46 HydrophobicContact CB-CD2 4.43Å; L25-Y46 HydrophobicContact CD1-CD2 4.18Å; L25-Y46 HydrophobicContact CD1-CE2 4.43Å; K26-Y46 VanDerWaalsContact CE-OH 3.24Å; K26-Y46 WeakPolarHBondContact CE-OH 3.35Å; K26-Y46 HydrophobicContact CG-CE1 4.28Å; T29-Y46 HydrophobicContact CG2-CD1 4.39Å; T29-Y46 HydrophobicContact CG2-CG 4.39Å; D44-Y46 HydrophobicContact CB-CE2 3.91Å; Y46-L62 PolarHBondContact N-O 3.45Å; Y46-L62 PolarHBondContact O-N 2.7Å; Y46-D64 HydrophobicContact CE2-CB 4.31Å |
| 47 | A | 93.6 | Very high | 86.1 | Confident | 50 Ų | 50 | 68.2 Ų | 68.2 | 41% | 0.413 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 136.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | F45 L60 | F45-A47 HydrophobicContact CE1-CB 4.24Å; F45-A47 HydrophobicContact CZ-CB 4.08Å; A47-L60 WeakPolarHBondContact CA-O 3.42Å |
| 48 | R | 94.4 | Very high | 86.9 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 31% | 0.306 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 137.5 | 174 | -178.3 | 169.8 | 178 | -149.5 | -3.9 | 109.6 | F28 T29 L60 D161 | F28-R48 HydrophobicContact CE1-CB 3.95Å; F28-R48 HydrophobicContact CE1-CG 4.21Å; F28-R48 HydrophobicContact CZ-CG 4.33Å; F28-R48 WeakPolarHBondContact O-CD 3.32Å; F28-R48 VanDerWaalsContact O-CZ 3.29Å; F28-R48 PolarHBondContact O-NE 3.41Å; F28-R48 PolarHBondContact O-NH1 3.45Å; T29-R48 HydrophobicContact CG2-CB 4.3Å; R48-L60 PolarHBondContact N-O 3.35Å; R48-L60 VanDerWaalsContact N-O 3.14Å; R48-L60 WeakPolarHBondContact O-CB 3.47Å; R48-L60 PolarHBondContact O-N 2.78Å; R48-D161 IonicContact CZ-OD1 2.62Å; R48-D161 IonicContact NH1-OD1 2.94Å; R48-D161 PolarHBondContact NH1-OD1 2.99Å; R48-D161 IonicContact NH2-OD1 3.1Å; R48-D161 PolarHBondContact NH2-OD1 2.77Å |
| 49 | S | 93.8 | Very high | 87.7 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 42% | 0.42 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 145.3 | 172.8 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | I58 | S49-I58 CarbonylContact C-O 3.58Å; S49-I58 VanDerWaalsContact CA-O 3.23Å; S49-I58 WeakPolarHBondContact CA-O 3.37Å |
| 50 | L | 93 | Very high | 88.4 | Confident | 14 Ų | 14 | 57 Ų | 57 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 145.3 | 177.6 | 61.5 | 108.3 | 0 | 0 | 0 | 111 | F28 I52 I58 L60 | F28-L50 HydrophobicContact CZ-CD2 4.22Å; L50-I52 HydrophobicContact CD1-CB 4.46Å; L50-I52 HydrophobicContact CD1-CG2 3.26Å; L50-I58 PolarHBondContact N-O 2.86Å; L50-I58 PolarHBondContact O-N 3.45Å; L50-L60 HydrophobicContact CD2-CD1 3.25Å; L50-L60 HydrophobicContact CD2-CD2 4.16Å; L50-L60 HydrophobicContact CD2-CG 3.43Å; L50-L60 VanDerWaalsContact CD2-CG 3.43Å |
| 51 | D | 91.9 | Very high | 89.3 | Confident | 98 Ų | 98 | 57.4 Ų | 57.4 | 52% | 0.524 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 114.9 | 172.7 | -60 | -69.8 | 0 | 0 | 0 | 108.6 | I56 K57 | D51-I56 WeakPolarHBondContact CA-O 3.23Å; D51-K57 WeakPolarHBondContact OD1-CB 3.27Å; D51-K57 WeakPolarHBondContact OD1-CE 3.26Å |
| 52 | I | 90.9 | Very high | 90.3 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -35.3 | -179.4 | 45.9 | 152.9 | 0 | 0 | 0 | 112.6 | L50 I56 I58 R169 Y172 | L50-I52 HydrophobicContact CD1-CB 4.46Å; L50-I52 HydrophobicContact CD1-CG2 3.26Å; I52-I56 HydrophobicContact CD1-CB 4.25Å; I52-I56 HydrophobicContact CD1-CG2 3.58Å; I52-I56 HydrophobicContact CG1-CB 3.92Å; I52-I56 HydrophobicContact CG1-CG2 3.65Å; I52-I56 WeakPolarHBondContact CG1-O 3.46Å; I52-I56 PolarHBondContact N-O 2.98Å; I52-I58 HydrophobicContact CB-CD1 4.33Å; I52-I58 HydrophobicContact CD1-CD1 3.24Å; I52-I58 HydrophobicContact CD1-CG1 4.07Å; I52-I58 HydrophobicContact CG1-CD1 3.59Å; I52-I58 HydrophobicContact CG1-CG1 4.04Å; I52-I58 HydrophobicContact CG2-CD1 3.79Å; I52-R169 HydrophobicContact CB-CG 4.2Å; I52-R169 HydrophobicContact CG2-CG 4.12Å; I52-R169 PolarHBondContact O-NE 3.34Å; I52-R169 PolarHBondContact O-NH2 3.3Å; I52-Y172 HydrophobicContact CD1-CD1 3.16Å; I52-Y172 HydrophobicContact CD1-CD2 3.71Å; I52-Y172 HydrophobicContact CD1-CE1 3.59Å; I52-Y172 HydrophobicContact CD1-CE2 4.14Å; I52-Y172 HydrophobicContact CD1-CG 3.18Å |
| 53 | E | 88.2 | Confident | 91.2 | Very high | 76 Ų | 76 | 52.7 Ų | 52.7 | 36% | 0.355 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 168.7 | 178.3 | -65.2 | -177.7 | 179.7 | 0 | 0 | 108.7 | G55 I56 Y172 K176 | E53-G55 PolarHBondContact O-N 2.87Å; E53-G55 VanDerWaalsContact O-N 3.09Å; E53-I56 HydrophobicContact CB-CB 4.04Å; E53-I56 HydrophobicContact CB-CG1 3.75Å; E53-I56 PolarHBondContact O-N 3.04Å; E53-Y172 HydrophobicContact CG-CE1 4.48Å; E53-K176 IonicContact OE1-NZ 3.45Å; E53-K176 PolarHBondContact OE1-NZ 2.83Å |
| 54 | Q | 86 | Confident | 91.8 | Very high | 199 Ų | 199 | 51.4 Ų | 51.4 | 93% | 0.93 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 117.3 | 178.9 | -71.7 | 176.8 | -3.7 | 0 | 0 | 110.7 | I56 | Q54-I56 PolarHBondContact O-N 2.8Š|
| 55 | G | 84.7 | Confident | 91.6 | Very high | 66 Ų | 66 | 48 Ų | 48 | 68% | 0.68 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -5.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q6 E53 | Q6-G55 PolarHBondContact NE2-O 3.14Å; E53-G55 PolarHBondContact O-N 2.87Å; E53-G55 VanDerWaalsContact O-N 3.09Å |
| 56 | I | 90.3 | Very high | 91.1 | Very high | 24 Ų | 24 | 43.6 Ų | 43.6 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 99 | 179.4 | -44.2 | -58.7 | 0 | 0 | 0 | 110.3 | Q6 D51 I52 E53 Q54 Y172 | Q6-I56 VanDerWaalsContact OE1-CD1 3.31Å; D51-I56 WeakPolarHBondContact CA-O 3.23Å; I52-I56 HydrophobicContact CD1-CB 4.25Å; I52-I56 HydrophobicContact CD1-CG2 3.58Å; I52-I56 HydrophobicContact CG1-CB 3.92Å; I52-I56 HydrophobicContact CG1-CG2 3.65Å; I52-I56 WeakPolarHBondContact CG1-O 3.46Å; I52-I56 PolarHBondContact N-O 2.98Å; E53-I56 HydrophobicContact CB-CB 4.04Å; E53-I56 HydrophobicContact CB-CG1 3.75Å; E53-I56 PolarHBondContact O-N 3.04Å; Q54-I56 PolarHBondContact O-N 2.8Å; I56-Y172 HydrophobicContact CG2-CE1 4.33Å; I56-Y172 HydrophobicContact CG2-CE2 3.96Å |
| 57 | K | 93.4 | Very high | 89.9 | Confident | 76 Ų | 76 | 42.1 Ų | 42.1 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130 | 177.3 | -175.1 | 170.9 | -76.1 | 173.9 | 0 | 111.2 | L4 W5 Q6 D51 | L4-K57 WeakPolarHBondContact O-CD 3.4Å; W5-K57 CarbonylContact C-O 3.49Å; W5-K57 WeakPolarHBondContact CA-O 3.04Å; W5-K57 HydrophobicContact CB-CG 4.27Å; Q6-K57 PolarHBondContact N-O 2.74Å; D51-K57 WeakPolarHBondContact OD1-CB 3.27Å; D51-K57 WeakPolarHBondContact OD1-CE 3.26Å |
| 58 | I | 94.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.2 | 177.5 | -67.6 | 175 | 0 | 0 | 0 | 109.5 | Y7 F9 S49 L50 I52 L60 Y172 | Y7-I58 CarbonylContact O-C 3.51Å; Y7-I58 WeakPolarHBondContact O-CA 3.42Å; F9-I58 HydrophobicContact CD1-CG2 4.49Å; F9-I58 HydrophobicContact CD2-CD1 4.24Å; F9-I58 HydrophobicContact CD2-CG2 3.72Å; F9-I58 HydrophobicContact CE2-CD1 3.47Å; F9-I58 VanDerWaalsContact CE2-CD1 3.47Å; F9-I58 HydrophobicContact CE2-CG1 4.44Å; F9-I58 HydrophobicContact CE2-CG2 4Å; F9-I58 HydrophobicContact CG-CG2 3.99Å; F9-I58 HydrophobicContact CZ-CD1 3.68Å; F9-I58 HydrophobicContact CZ-CG1 4.47Å; F9-I58 HydrophobicContact CZ-CG2 4.45Å; S49-I58 CarbonylContact C-O 3.58Å; S49-I58 VanDerWaalsContact CA-O 3.23Å; S49-I58 WeakPolarHBondContact CA-O 3.37Å; L50-I58 PolarHBondContact N-O 2.86Å; L50-I58 PolarHBondContact O-N 3.45Å; I52-I58 HydrophobicContact CB-CD1 4.33Å; I52-I58 HydrophobicContact CD1-CD1 3.24Å; I52-I58 HydrophobicContact CD1-CG1 4.07Å; I52-I58 HydrophobicContact CG1-CD1 3.59Å; I52-I58 HydrophobicContact CG1-CG1 4.04Å; I52-I58 HydrophobicContact CG2-CD1 3.79Å; I58-L60 HydrophobicContact CG2-CD2 3.85Å; I58-Y172 HydrophobicContact CD1-CD2 4.4Å; I58-Y172 HydrophobicContact CD1-CG 4.47Å |
| 59 | K | 96 | Very high | 86.9 | Confident | 58 Ų | 58 | 43.4 Ų | 43.4 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 118.5 | 169.4 | -177.9 | 178.8 | 177.8 | -172.9 | 0 | 109.8 | W5 Y7 Q8 F9 | W5-K59 HydrophobicContact CB-CB 4.1Å; W5-K59 HydrophobicContact CD2-CB 3.91Å; W5-K59 HydrophobicContact CD2-CD 4.39Å; W5-K59 HydrophobicContact CE3-CB 4.41Å; W5-K59 HydrophobicContact CG-CB 3.74Å; W5-K59 HydrophobicContact CG-CD 4.47Å; W5-K59 HydrophobicContact CZ2-CD 4.44Å; Y7-K59 PolarHBondContact O-N 3.37Å; Q8-K59 CarbonylContact C-O 3.51Å; Q8-K59 WeakPolarHBondContact CA-O 3.35Å; Q8-K59 HydrophobicContact CB-CB 4.32Å; Q8-K59 HydrophobicContact CG-CB 4.28Å; Q8-K59 HydrophobicContact CG-CD 4.4Å; Q8-K59 HydrophobicContact CG-CG 4.32Å; Q8-K59 WeakPolarHBondContact CG-O 3.38Å; F9-K59 PolarHBondContact N-O 3.34Å |
| 60 | L | 97 | Very high | 85.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 133.5 | 169.7 | -58.9 | -171.7 | 0 | 0 | 0 | 110.6 | F9 I11 F28 A47 R48 L50 I58 L62 F164 | F9-L60 HydrophobicContact CB-CD2 3.89Å; F9-L60 HydrophobicContact CD2-CD2 4.25Å; F9-L60 HydrophobicContact CG-CD2 4.49Å; I11-L60 HydrophobicContact CG1-CD2 4.08Å; F28-L60 HydrophobicContact CE1-CD1 4.09Å; F28-L60 HydrophobicContact CZ-CD1 4.15Å; A47-L60 WeakPolarHBondContact CA-O 3.42Å; R48-L60 PolarHBondContact N-O 3.35Å; R48-L60 VanDerWaalsContact N-O 3.14Å; R48-L60 WeakPolarHBondContact O-CB 3.47Å; R48-L60 PolarHBondContact O-N 2.78Å; L50-L60 HydrophobicContact CD2-CD1 3.25Å; L50-L60 HydrophobicContact CD2-CD2 4.16Å; L50-L60 HydrophobicContact CD2-CG 3.43Å; L50-L60 VanDerWaalsContact CD2-CG 3.43Å; I58-L60 HydrophobicContact CG2-CD2 3.85Å; L60-L62 HydrophobicContact CB-CD2 3.73Å; L60-L62 HydrophobicContact CB-CG 4.13Å; L60-L62 HydrophobicContact CD1-CD2 4Å; L60-F164 HydrophobicContact CD1-CB 4.31Å; L60-F164 HydrophobicContact CD1-CD1 4.26Å |
| 61 | Q | 96.1 | Very high | 83.6 | Confident | 32 Ų | 32 | 50.6 Ų | 50.6 | 15% | 0.15 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117.5 | 162.7 | -76.2 | -165.6 | -26 | 0 | 0 | 107.8 | Q8 F9 R10 I11 F45 | Q8-Q61 VanDerWaalsContact CD-CD 3.4Å; Q8-Q61 HydrophobicContact CG-CG 3.91Å; F9-Q61 PolarHBondContact O-N 3.09Å; R10-Q61 WeakPolarHBondContact CA-O 3.49Å; R10-Q61 HydrophobicContact CG-CB 4.34Å; I11-Q61 PolarHBondContact N-O 3.4Å; F45-Q61 HydrophobicContact CE2-CB 3.78Å; F45-Q61 HydrophobicContact CE2-CG 3.75Å; F45-Q61 HydrophobicContact CZ-CB 4.41Å; F45-Q61 HydrophobicContact CZ-CG 3.94Å |
| 62 | L | 94.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124 | -168.8 | -52.8 | 170.2 | 0 | 0 | 0 | 109.2 | I11 L25 F28 T29 F45 Y46 L60 F164 | I11-L62 HydrophobicContact CB-CD2 3.88Å; I11-L62 HydrophobicContact CG1-CD2 4.19Å; I11-L62 HydrophobicContact CG2-CD2 4.39Å; I11-L62 WeakPolarHBondContact O-CA 3.48Å; L25-L62 HydrophobicContact CD2-CB 3.59Å; L25-L62 HydrophobicContact CD2-CD1 3.56Å; L25-L62 HydrophobicContact CD2-CD2 4.36Å; L25-L62 HydrophobicContact CD2-CG 4.02Å; F28-L62 HydrophobicContact CD1-CD1 3.65Å; F28-L62 HydrophobicContact CE1-CD1 3.78Å; T29-L62 HydrophobicContact CG2-CD1 3.61Å; F45-L62 WeakPolarHBondContact CA-O 3.4Å; Y46-L62 PolarHBondContact N-O 3.45Å; Y46-L62 PolarHBondContact O-N 2.7Å; L60-L62 HydrophobicContact CB-CD2 3.73Å; L60-L62 HydrophobicContact CB-CG 4.13Å; L60-L62 HydrophobicContact CD1-CD2 4Å; L62-F164 HydrophobicContact CD1-CE1 4.5Å; L62-F164 HydrophobicContact CD2-CD1 4.07Å; L62-F164 HydrophobicContact CD2-CE1 3.91Å |
| 63 | W | 92.3 | Very high | 80.6 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 13% | 0.125 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 110.2 | 179.8 | -62.3 | 88 | 0 | 0 | 0 | 109.6 | I11 I12 L13 V43 F45 Y78 | I11-W63 PolarHBondContact O-N 3.34Å; I12-W63 HydrophobicContact CB-CB 4.45Å; I12-W63 HydrophobicContact CG1-CB 4.09Å; L13-W63 PolarHBondContact N-O 3.47Å; V43-W63 HydrophobicContact CG1-CB 4.2Å; V43-W63 HydrophobicContact CG1-CD2 4.5Å; V43-W63 HydrophobicContact CG1-CE3 3.63Å; V43-W63 HydrophobicContact CG1-CZ3 4.45Å; F45-W63 HydrophobicContact CB-CE3 4.4Å; F45-W63 HydrophobicContact CB-CZ3 4.15Å; F45-W63 HydrophobicContact CD2-CD2 4.28Å; F45-W63 AromaticContact CD2-CE2 3.91Å; F45-W63 HydrophobicContact CD2-CE3 4.39Å; F45-W63 AromaticContact CD2-CH2 3.95Å; F45-W63 HydrophobicContact CD2-CH2 3.95Å; F45-W63 AromaticContact CD2-CZ2 3.74Å; F45-W63 HydrophobicContact CD2-CZ2 3.74Å; F45-W63 HydrophobicContact CD2-CZ3 4.23Å; F45-W63 HydrophobicContact CE2-CZ2 4.18Å; W63-Y78 AromaticContact CD2-CD1 3.73Å; W63-Y78 HydrophobicContact CD2-CD1 3.73Å; W63-Y78 HydrophobicContact CD2-CE1 4.13Å; W63-Y78 AromaticContact CE3-CD1 3.42Å; W63-Y78 HydrophobicContact CE3-CD1 3.42Å; W63-Y78 VanDerWaalsContact CE3-CD1 3.42Å; W63-Y78 AromaticContact CE3-CE1 3.37Å; W63-Y78 HydrophobicContact CE3-CE1 3.37Å; W63-Y78 HydrophobicContact CG-CD1 4.39Å; W63-Y78 HydrophobicContact CH2-CD1 4.24Å; W63-Y78 AromaticContact CH2-CE1 3.81Å; W63-Y78 HydrophobicContact CH2-CE1 3.81Å; W63-Y78 AromaticContact CZ3-CD1 3.71Å; W63-Y78 HydrophobicContact CZ3-CD1 3.71Å; W63-Y78 AromaticContact CZ3-CE1 3.19Å; W63-Y78 HydrophobicContact CZ3-CE1 3.19Å |
| 64 | D | 89.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 116.9 | 170.7 | -168.6 | 28.8 | 0 | 0 | 0 | 108.8 | K21 S22 L25 T40 V43 D44 Y46 | K21-D64 VanDerWaalsContact CB-OD1 3.3Å; K21-D64 WeakPolarHBondContact CB-OD1 3.23Å; S22-D64 WeakPolarHBondContact CA-OD2 3.18Å; S22-D64 WeakPolarHBondContact CB-OD2 3.42Å; S22-D64 PolarHBondContact N-OD1 3.34Å; S22-D64 PolarHBondContact OG-OD2 3.25Å; L25-D64 HydrophobicContact CD1-CB 3.42Å; L25-D64 VanDerWaalsContact CD1-CB 3.42Å; T40-D64 PolarHBondContact OG1-OD2 3.28Å; V43-D64 CarbonylContact C-O 3.47Å; V43-D64 WeakPolarHBondContact CA-O 3.45Å; V43-D64 VanDerWaalsContact CG1-O 3.25Å; V43-D64 WeakPolarHBondContact CG1-O 3.28Å; D44-D64 HydrophobicContact CB-CB 4.12Å; D44-D64 PolarHBondContact N-O 2.95Å; D44-D64 PolarHBondContact O-N 2.86Å; Y46-D64 HydrophobicContact CE2-CB 4.31Å |
| 65 | T | 82.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 142.2 | -179.9 | 65.9 | 0 | 0 | 0 | 0 | 111.2 | I12 L13 K21 G67 T75 | I12-T65 HydrophobicContact CD1-CG2 3.56Å; I12-T65 HydrophobicContact CG1-CG2 3.53Å; L13-T65 WeakPolarHBondContact O-CG2 3.36Å; L13-T65 PolarHBondContact O-OG1 3.23Å; K21-T65 WeakPolarHBondContact CE-O 3.47Å; T65-G67 PolarHBondContact O-N 3.48Å; T65-T75 HydrophobicContact CG2-CG2 3.61Å |
| 66 | A | 78.3 | Confident | 77.9 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 122.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | T40 G42 Q68 F71 | T40-A66 WeakPolarHBondContact O-CB 3.37Å; G42-A66 VanDerWaalsContact O-CB 3.28Å; G42-A66 WeakPolarHBondContact O-CB 3.38Å; G42-A66 PolarHBondContact O-N 2.9Å; A66-Q68 PolarHBondContact O-N 3.41Å; A66-Q68 VanDerWaalsContact O-N 3.16Å; A66-F71 HydrophobicContact CB-CB 4.22Å; A66-F71 HydrophobicContact CB-CD2 3.61Å; A66-F71 HydrophobicContact CB-CE2 4.35Å; A66-F71 HydrophobicContact CB-CG 4.2Å |
| 67 | G | 66.6 | Low | 77 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 8% | 0.082 | 23% | 0.23 | C | C | . | . | trans | -79.5 | 13.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G15 D16 S17 T65 | G15-G67 VanDerWaalsContact O-CA 3.27Å; G15-G67 WeakPolarHBondContact O-CA 3.34Å; D16-G67 CarbonylContact C-O 3.57Å; S17-G67 PolarHBondContact N-O 3.18Å; T65-G67 PolarHBondContact O-N 3.48Å | ||
| 68 | Q | 64.1 | Low | 76.3 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 21% | 0.206 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -90.6 | 132.6 | 176.4 | -67.3 | -172.3 | 14.4 | 0 | 0 | 110 | A66 R70 F71 | A66-Q68 PolarHBondContact O-N 3.41Å; A66-Q68 VanDerWaalsContact O-N 3.16Å; Q68-R70 PolarHBondContact O-N 3.36Å; Q68-F71 HydrophobicContact CB-CD2 3.95Å; Q68-F71 HydrophobicContact CB-CE2 4.32Å; Q68-F71 PolarHBondContact O-N 2.94Å |
| 69 | E | 60.3 | Low | 75.8 | Confident | 114 Ų | 114 | 45.6 Ų | 45.6 | 53% | 0.533 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -50.9 | -30.9 | 176.4 | 65.8 | -65.1 | 152.7 | 0 | 0 | 113.4 | F71 R72 | E69-F71 PolarHBondContact O-N 3.06Å; E69-R72 WeakPolarHBondContact O-CB 3.24Å; E69-R72 WeakPolarHBondContact O-CG 3.43Å; E69-R72 PolarHBondContact O-N 2.96Å |
| 70 | R | 57.9 | Low | 75.2 | Confident | 175 Ų | 175 | 49.8 Ų | 49.8 | 66% | 0.66 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -64.3 | -19 | 177.5 | -63.7 | -173.4 | -67.1 | 178.9 | -0 | 114.3 | Q68 | Q68-R70 PolarHBondContact O-N 3.36Š|
| 71 | F | 59.3 | Low | 74.8 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 22% | 0.219 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -105.7 | 5.1 | -179.9 | -59.1 | -61.6 | 0 | 0 | 0 | 113.6 | A66 Q68 E69 S73 I74 T75 | A66-F71 HydrophobicContact CB-CB 4.22Å; A66-F71 HydrophobicContact CB-CD2 3.61Å; A66-F71 HydrophobicContact CB-CE2 4.35Å; A66-F71 HydrophobicContact CB-CG 4.2Å; Q68-F71 HydrophobicContact CB-CD2 3.95Å; Q68-F71 HydrophobicContact CB-CE2 4.32Å; Q68-F71 PolarHBondContact O-N 2.94Å; E69-F71 PolarHBondContact O-N 3.06Å; F71-S73 VanDerWaalsContact C-N 3.32Å; F71-S73 PolarHBondContact O-N 3.04Å; F71-I74 HydrophobicContact CD1-CD1 3.81Å; F71-I74 WeakPolarHBondContact O-CB 3.06Å; F71-I74 PolarHBondContact O-N 2.8Å; F71-T75 PolarHBondContact O-N 3.02Å; F71-T75 PolarHBondContact O-OG1 2.72Å |
| 72 | R | 61.8 | Low | 74.6 | Confident | 73 Ų | 73 | 49.9 Ų | 49.9 | 28% | 0.275 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -55.9 | -41.8 | -179.6 | -78.2 | 178.6 | -179.7 | -177.6 | 1 | 113.1 | E69 I74 T75 W103 E106 | E69-R72 WeakPolarHBondContact O-CB 3.24Å; E69-R72 WeakPolarHBondContact O-CG 3.43Å; E69-R72 PolarHBondContact O-N 2.96Å; R72-I74 VanDerWaalsContact C-N 3.28Å; R72-I74 PolarHBondContact O-N 3.34Å; R72-T75 PolarHBondContact O-N 3.24Å; R72-W103 HydrophobicContact CG-CH2 4.5Å; R72-E106 WeakPolarHBondContact CB-OE1 3.34Å; R72-E106 WeakPolarHBondContact CD-OE1 3.43Å; R72-E106 VanDerWaalsContact CD-OE2 3.31Å; R72-E106 WeakPolarHBondContact CD-OE2 3.49Å; R72-E106 VanDerWaalsContact CG-OE1 3.31Å; R72-E106 WeakPolarHBondContact CG-OE1 3.5Å; R72-E106 IonicContact CZ-OE2 3.52Å; R72-E106 IonicContact NE-OE2 3.84Å; R72-E106 PolarHBondContact NE-OE2 3.48Å; R72-E106 IonicContact NH1-OE2 2.73Å |
| 73 | S | 59.4 | Low | 74.7 | Confident | 100 Ų | 100 | 49.9 Ų | 49.9 | 70% | 0.699 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -65.9 | -25 | 177.5 | 57.7 | 0 | 0 | 0 | 0 | 114.5 | F71 T75 | F71-S73 VanDerWaalsContact C-N 3.32Å; F71-S73 PolarHBondContact O-N 3.04Å; S73-T75 VanDerWaalsContact C-N 3.26Å |
| 74 | I | 61.6 | Low | 74.9 | Confident | 87 Ų | 87 | 48.3 Ų | 48.3 | 45% | 0.446 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -75.3 | -22 | 175.4 | -56.7 | -176.4 | 0 | 0 | 0 | 110.5 | F71 R72 | F71-I74 HydrophobicContact CD1-CD1 3.81Å; F71-I74 WeakPolarHBondContact O-CB 3.06Å; F71-I74 PolarHBondContact O-N 2.8Å; R72-I74 VanDerWaalsContact C-N 3.28Å; R72-I74 PolarHBondContact O-N 3.34Å |
| 75 | T | 67.9 | Low | 75.2 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -89.7 | -15.2 | -166.3 | -43 | 0 | 0 | 0 | 0 | 113.2 | I12 T65 F71 R72 S73 S77 Y78 Y79 | I12-T75 HydrophobicContact CD1-CG2 4.23Å; T65-T75 HydrophobicContact CG2-CG2 3.61Å; F71-T75 PolarHBondContact O-N 3.02Å; F71-T75 PolarHBondContact O-OG1 2.72Å; R72-T75 PolarHBondContact O-N 3.24Å; S73-T75 VanDerWaalsContact C-N 3.26Å; T75-S77 VanDerWaalsContact C-N 3.33Å; T75-S77 PolarHBondContact O-N 2.93Å; T75-Y78 WeakPolarHBondContact O-CB 3.06Å; T75-Y78 PolarHBondContact O-N 3.05Å; T75-Y79 WeakPolarHBondContact CB-OH 3.19Å; T75-Y79 HydrophobicContact CG2-CD1 4.05Å; T75-Y79 HydrophobicContact CG2-CE1 3.22Å; T75-Y79 HydrophobicContact CG2-CE2 4.33Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.36Å; T75-Y79 PolarHBondContact O-N 2.8Å |
| 76 | T | 71.2 | Confident | 75.9 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 29% | 0.288 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.8 | -38.3 | -174.2 | -46.2 | 0 | 0 | 0 | 0 | 114.2 | Y78 Y79 R80 H110 | T76-Y78 VanDerWaalsContact C-N 3.28Å; T76-Y78 PolarHBondContact O-N 2.82Å; T76-Y79 WeakPolarHBondContact O-CB 3.5Å; T76-Y79 PolarHBondContact O-N 2.89Å; T76-R80 PolarHBondContact O-N 3.45Å; T76-H110 HydrophobicContact CG2-CB 3.98Å; T76-H110 WeakPolarHBondContact CG2-CD2 3.41Å |
| 77 | S | 71.4 | Confident | 76.8 | Confident | 72 Ų | 72 | 48.2 Ų | 48.2 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.7 | -26.8 | 177.5 | 63.2 | 0 | 0 | 0 | 0 | 113 | T75 | T75-S77 VanDerWaalsContact C-N 3.33Å; T75-S77 PolarHBondContact O-N 2.93Å |
| 78 | Y | 79.1 | Confident | 78.3 | Confident | 57 Ų | 57 | 48 Ų | 48 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -77.1 | -32.9 | 176.5 | -60.7 | -80.4 | 0 | 0 | 0 | 111.8 | V43 W63 T75 T76 S82 | V43-Y78 HydrophobicContact CB-CE2 4.17Å; V43-Y78 HydrophobicContact CG1-CD1 4.26Å; V43-Y78 HydrophobicContact CG1-CE1 4.19Å; V43-Y78 HydrophobicContact CG1-CE2 4.48Å; V43-Y78 HydrophobicContact CG1-CG 4.47Å; V43-Y78 HydrophobicContact CG2-CD2 3.94Å; V43-Y78 HydrophobicContact CG2-CE2 3.66Å; W63-Y78 AromaticContact CD2-CD1 3.73Å; W63-Y78 HydrophobicContact CD2-CD1 3.73Å; W63-Y78 HydrophobicContact CD2-CE1 4.13Å; W63-Y78 AromaticContact CE3-CD1 3.42Å; W63-Y78 HydrophobicContact CE3-CD1 3.42Å; W63-Y78 VanDerWaalsContact CE3-CD1 3.42Å; W63-Y78 AromaticContact CE3-CE1 3.37Å; W63-Y78 HydrophobicContact CE3-CE1 3.37Å; W63-Y78 HydrophobicContact CG-CD1 4.39Å; W63-Y78 HydrophobicContact CH2-CD1 4.24Å; W63-Y78 AromaticContact CH2-CE1 3.81Å; W63-Y78 HydrophobicContact CH2-CE1 3.81Å; W63-Y78 AromaticContact CZ3-CD1 3.71Å; W63-Y78 HydrophobicContact CZ3-CD1 3.71Å; W63-Y78 AromaticContact CZ3-CE1 3.19Å; W63-Y78 HydrophobicContact CZ3-CE1 3.19Å; T75-Y78 WeakPolarHBondContact O-CB 3.06Å; T75-Y78 PolarHBondContact O-N 3.05Å; T76-Y78 VanDerWaalsContact C-N 3.28Å; T76-Y78 PolarHBondContact O-N 2.82Å; Y78-S82 PolarHBondContact O-N 3.43Å; Y78-S82 PolarHBondContact O-OG 3.2Å |
| 79 | Y | 83.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -56.1 | 173.8 | -58.4 | -25 | 0 | 0 | 0 | 111.6 | I12 L14 T75 T76 N81 S82 E106 V107 H110 I111 | I12-Y79 HydrophobicContact CD1-CD1 3.54Å; I12-Y79 HydrophobicContact CD1-CE1 3.7Å; L14-Y79 HydrophobicContact CD2-CD1 4.26Å; L14-Y79 HydrophobicContact CD2-CE1 3.55Å; T75-Y79 WeakPolarHBondContact CB-OH 3.19Å; T75-Y79 HydrophobicContact CG2-CD1 4.05Å; T75-Y79 HydrophobicContact CG2-CE1 3.22Å; T75-Y79 HydrophobicContact CG2-CE2 4.33Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.36Å; T75-Y79 PolarHBondContact O-N 2.8Å; T76-Y79 WeakPolarHBondContact O-CB 3.5Å; T76-Y79 PolarHBondContact O-N 2.89Å; Y79-N81 PolarHBondContact O-N 3.29Å; Y79-S82 PolarHBondContact O-N 2.91Å; Y79-E106 HydrophobicContact CE2-CG 4.3Å; Y79-V107 HydrophobicContact CD1-CG1 4.26Å; Y79-V107 HydrophobicContact CD1-CG2 3.69Å; Y79-V107 HydrophobicContact CD2-CG2 4.17Å; Y79-V107 HydrophobicContact CE1-CG2 3.67Å; Y79-V107 HydrophobicContact CE2-CG2 4.16Å; Y79-V107 HydrophobicContact CG-CB 4.46Å; Y79-V107 HydrophobicContact CG-CG1 4.15Å; Y79-V107 HydrophobicContact CG-CG2 3.97Å; Y79-H110 HydrophobicContact CD2-CB 4.19Å; Y79-I111 VanDerWaalsContact O-CG2 3.29Å; Y79-I111 WeakPolarHBondContact O-CG2 3.16Å |
| 80 | R | 83.9 | Confident | 81.8 | Confident | 147 Ų | 147 | 40.7 Ų | 40.7 | 56% | 0.555 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -53.3 | -35.8 | -174.4 | 179.6 | 178.2 | -75.1 | 169.5 | -3.7 | 113 | T76 W186 | T76-R80 PolarHBondContact O-N 3.45Å; R80-W186 VanDerWaalsContact O-CD1 3.26Å; R80-W186 PolarHBondContact O-NE1 3.08Å |
| 81 | N | 88.4 | Confident | 83.7 | Confident | 31 Ų | 31 | 32.4 Ų | 32.4 | 17% | 0.166 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 5.9 | -175.1 | -79.7 | -33.7 | 0 | 0 | 0 | 113.7 | R10 Y79 D187 G188 | R10-N81 WeakPolarHBondContact CB-O 2.84Å; R10-N81 WeakPolarHBondContact CD-O 3.44Å; Y79-N81 PolarHBondContact O-N 3.29Å; N81-D187 HydrophobicContact CB-CB 4.02Å; N81-D187 CarbonylContact O-C 3.53Å; N81-D187 PolarHBondContact OD1-N 3.43Å; N81-G188 WeakPolarHBondContact O-CA 3.28Å; N81-G188 PolarHBondContact O-N 3.2Å; N81-G188 VanDerWaalsContact O-N 3.08Å |
| 82 | S | 93.1 | Very high | 85.6 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | trans | -98.3 | 137.6 | 179.9 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | R10 Y78 Y79 | R10-S82 WeakPolarHBondContact O-CA 3.45Å; Y78-S82 PolarHBondContact O-N 3.43Å; Y78-S82 PolarHBondContact O-OG 3.2Å; Y79-S82 PolarHBondContact O-N 2.91Å | ||
| 83 | V | 95.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -96.9 | -24.2 | 173.6 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | F9 R10 I11 M116 V117 I171 I180 W186 G188 V189 | F9-V83 HydrophobicContact CB-CG1 3.85Å; F9-V83 HydrophobicContact CD1-CG1 4.47Å; F9-V83 HydrophobicContact CG-CG1 4.23Å; R10-V83 PolarHBondContact O-N 3.39Å; I11-V83 HydrophobicContact CD1-CG1 4.43Å; V83-M116 WeakPolarHBondContact O-CA 2.84Å; V83-V117 PolarHBondContact O-N 2.91Å; V83-I171 HydrophobicContact CG1-CD1 4.04Å; V83-I171 HydrophobicContact CG1-CG2 4.21Å; V83-I171 HydrophobicContact CG2-CG1 4.44Å; V83-I171 HydrophobicContact CG2-CG2 3.77Å; V83-I180 HydrophobicContact CG2-CD1 3.96Å; V83-I180 HydrophobicContact CG2-CG2 3.99Å; V83-W186 HydrophobicContact CB-CH2 4.02Å; V83-W186 HydrophobicContact CB-CZ2 4.15Å; V83-W186 HydrophobicContact CG2-CH2 3.87Å; V83-W186 HydrophobicContact CG2-CZ2 4.42Å; V83-G188 WeakPolarHBondContact CB-O 3.16Å; V83-G188 WeakPolarHBondContact CG1-O 3.28Å; V83-V189 HydrophobicContact CB-CG2 3.89Å; V83-V189 HydrophobicContact CG1-CG2 4.02Å; V83-V189 HydrophobicContact CG2-CG2 3.64Å |
| 84 | G | 96.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 148.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R10 I11 I12 V117 | R10-G84 PolarHBondContact O-N 2.88Å; I11-G84 VanDerWaalsContact CA-O 3.3Å; I11-G84 WeakPolarHBondContact CA-O 3.34Å; I12-G84 PolarHBondContact N-O 3.36Å; G84-V117 CarbonylContact C-O 3.52Å; G84-V117 VanDerWaalsContact CA-O 3.24Å; G84-V117 WeakPolarHBondContact CA-O 3.42Å |
| 85 | G | 95.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 134.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I12 V117 Y118 I119 | I12-G85 CarbonylContact O-C 3.55Å; I12-G85 WeakPolarHBondContact O-CA 3.35Å; G85-V117 PolarHBondContact N-O 2.96Å; G85-Y118 VanDerWaalsContact O-CA 3.28Å; G85-Y118 WeakPolarHBondContact O-CA 3.29Å; G85-I119 PolarHBondContact O-N 3.47Å |
| 86 | L | 97.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 114.9 | 166.3 | -63.1 | 179.1 | 0 | 0 | 0 | 108.8 | I11 I12 L13 L14 V88 I119 I121 F164 L167 | I11-L86 HydrophobicContact CG2-CG 4.46Å; I12-L86 PolarHBondContact O-N 3.16Å; L13-L86 HydrophobicContact CD1-CD1 4.11Å; L13-L86 HydrophobicContact CG-CB 4.13Å; L13-L86 HydrophobicContact CG-CD1 4.12Å; L14-L86 PolarHBondContact N-O 3.21Å; L86-V88 HydrophobicContact CB-CG2 4.19Å; L86-I119 HydrophobicContact CD2-CB 4.01Å; L86-I121 HydrophobicContact CB-CG1 4.3Å; L86-I121 HydrophobicContact CD2-CD1 4.26Å; L86-I121 HydrophobicContact CD2-CG1 4.14Å; L86-F164 HydrophobicContact CD1-CD1 3.98Å; L86-F164 HydrophobicContact CD1-CE1 3.44Å; L86-F164 VanDerWaalsContact CD1-CE1 3.44Å; L86-F164 HydrophobicContact CD1-CE2 4.28Å; L86-F164 HydrophobicContact CD1-CZ 3.6Å; L86-L167 HydrophobicContact CD2-CD2 3.75Å; L86-L167 HydrophobicContact CG-CD2 4.08Å |
| 87 | L | 97.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 103.1 | 174.7 | -67.7 | 165.9 | 0 | 0 | 0 | 108.2 | L14 V100 W103 H104 Y118 I119 L120 I121 M145 I147 | L14-L87 HydrophobicContact CB-CD2 4.02Å; L14-L87 HydrophobicContact CD1-CD2 3.92Å; L87-V100 HydrophobicContact CB-CG1 4.36Å; L87-V100 HydrophobicContact CD1-CG1 4.34Å; L87-W103 HydrophobicContact CD2-CB 4.08Å; L87-H104 HydrophobicContact CD1-CB 4.07Å; L87-H104 HydrophobicContact CD2-CB 4.27Å; L87-Y118 HydrophobicContact CD1-CD1 4.03Å; L87-Y118 HydrophobicContact CD1-CG 4.36Å; L87-Y118 HydrophobicContact CG-CD1 4.02Å; L87-I119 PolarHBondContact N-O 3.37Å; L87-L120 HydrophobicContact CB-CD1 4.11Å; L87-I121 PolarHBondContact O-N 2.81Å; L87-M145 HydrophobicContact CD1-CE 3.71Å; L87-I147 HydrophobicContact CD1-CD1 3.99Å |
| 88 | V | 98.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.2 | -171.2 | -168.3 | 0 | 0 | 0 | 0 | 110.6 | L14 G15 V19 K21 L24 L86 I121 H123 | L14-V88 PolarHBondContact O-N 3.39Å; G15-V88 WeakPolarHBondContact CA-O 3.48Å; V19-V88 HydrophobicContact CB-CG1 4.39Å; V19-V88 HydrophobicContact CG2-CB 4.07Å; V19-V88 HydrophobicContact CG2-CG1 3.91Å; K21-V88 HydrophobicContact CG-CB 4.14Å; K21-V88 HydrophobicContact CG-CG2 4.21Å; L24-V88 HydrophobicContact CD2-CG2 4.4Å; L86-V88 HydrophobicContact CB-CG2 4.19Å; V88-I121 HydrophobicContact CB-CB 4.48Å; V88-I121 HydrophobicContact CG1-CB 4.39Å; V88-I121 HydrophobicContact CG1-CG2 4.24Å; V88-I121 HydrophobicContact CG2-CB 4.19Å; V88-I121 HydrophobicContact CG2-CG1 4.47Å; V88-H123 HydrophobicContact CG1-CB 3.83Å |
| 89 | F | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 162.4 | 168.8 | 72.8 | -87.5 | 0 | 0 | 0 | 110.7 | L91 T96 F97 V100 L120 I121 H123 V133 A138 Y149 | F89-L91 HydrophobicContact CE2-CD2 3.81Å; F89-L91 HydrophobicContact CE2-CG 4.42Å; F89-L91 HydrophobicContact CZ-CD2 4.13Å; F89-T96 WeakPolarHBondContact CB-O 3.29Å; F89-F97 HydrophobicContact CB-CB 4.42Å; F89-F97 AromaticContact CD1-CD2 3.99Å; F89-F97 HydrophobicContact CD1-CD2 3.99Å; F89-F97 HydrophobicContact CD2-CB 3.71Å; F89-F97 AromaticContact CD2-CD2 3.86Å; F89-F97 HydrophobicContact CD2-CD2 3.86Å; F89-F97 HydrophobicContact CD2-CG 4.25Å; F89-F97 AromaticContact CE1-CD2 3.77Å; F89-F97 HydrophobicContact CE1-CD2 3.77Å; F89-F97 HydrophobicContact CE1-CE2 4.2Å; F89-F97 HydrophobicContact CE2-CB 4.11Å; F89-F97 AromaticContact CE2-CD2 3.61Å; F89-F97 HydrophobicContact CE2-CD2 3.61Å; F89-F97 HydrophobicContact CE2-CE2 4.43Å; F89-F97 HydrophobicContact CE2-CG 4.22Å; F89-F97 HydrophobicContact CG-CB 4.11Å; F89-F97 HydrophobicContact CG-CD2 4.02Å; F89-F97 AromaticContact CZ-CD2 3.57Å; F89-F97 HydrophobicContact CZ-CD2 3.57Å; F89-F97 HydrophobicContact CZ-CE2 4.01Å; F89-V100 HydrophobicContact CB-CG2 3.95Å; F89-V100 HydrophobicContact CD1-CG2 4.05Å; F89-V100 HydrophobicContact CG-CG2 4.3Å; F89-L120 HydrophobicContact CD1-CD1 3.77Å; F89-L120 HydrophobicContact CD1-CG 4.3Å; F89-L120 HydrophobicContact CE1-CD1 3.83Å; F89-L120 HydrophobicContact CE1-CD2 4.12Å; F89-L120 HydrophobicContact CE1-CG 3.86Å; F89-I121 WeakPolarHBondContact CD1-O 3.42Å; F89-I121 PolarHBondContact N-O 2.81Å; F89-H123 WeakPolarHBondContact O-CB 3.4Å; F89-H123 PolarHBondContact O-N 2.88Å; F89-V133 HydrophobicContact CE2-CB 3.94Å; F89-V133 HydrophobicContact CE2-CG1 3.75Å; F89-V133 HydrophobicContact CE2-CG2 4.13Å; F89-V133 HydrophobicContact CZ-CG1 4.16Å; F89-A138 HydrophobicContact CE1-CB 4.49Å; F89-A138 HydrophobicContact CZ-CB 3.88Å; F89-Y149 AromaticContact CE1-CE2 3.85Å; F89-Y149 HydrophobicContact CE1-CE2 3.85Å; F89-Y149 AromaticContact CZ-CE2 3.92Å; F89-Y149 HydrophobicContact CZ-CE2 3.92Å |
| 90 | D | 98.4 | Very high | 96.2 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.027 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 120.9 | 178.4 | -178.1 | -14 | 0 | 0 | 0 | 110.2 | V19 T92 N93 T96 K124 | V19-D90 HydrophobicContact CB-CB 4.38Å; V19-D90 HydrophobicContact CG1-CB 4.32Å; D90-T92 PolarHBondContact O-N 3.5Å; D90-T92 VanDerWaalsContact O-N 3.07Å; D90-T92 WeakPolarHBondContact OD1-CB 3.13Å; D90-T92 PolarHBondContact OD1-N 2.69Å; D90-T92 PolarHBondContact OD1-OG1 2.98Å; D90-T92 PolarHBondContact OD2-OG1 2.82Å; D90-N93 HydrophobicContact CB-CB 4.08Å; D90-N93 CarbonylContact O-C 3.56Å; D90-N93 PolarHBondContact O-N 2.92Å; D90-T96 PolarHBondContact N-OG1 3.47Å; D90-T96 PolarHBondContact O-OG1 3.37Å; D90-K124 WeakPolarHBondContact OD2-CD 3.41Å; D90-K124 VanDerWaalsContact OD2-CE 3.25Å; D90-K124 WeakPolarHBondContact OD2-CE 3.47Å; D90-K124 IonicContact OD2-NZ 3.35Å; D90-K124 PolarHBondContact OD2-NZ 3.04Å |
| 91 | L | 98.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.5 | 179.2 | -74.3 | 168.2 | 0 | 0 | 0 | 113.2 | F89 H123 K132 V133 E151 | F89-L91 HydrophobicContact CE2-CD2 3.81Å; F89-L91 HydrophobicContact CE2-CG 4.42Å; F89-L91 HydrophobicContact CZ-CD2 4.13Å; L91-H123 WeakPolarHBondContact CB-O 3.4Å; L91-H123 WeakPolarHBondContact CD1-O 3.09Å; L91-H123 VanDerWaalsContact CG-O 3.3Å; L91-H123 WeakPolarHBondContact CG-O 3.3Å; L91-H123 PolarHBondContact N-O 3.26Å; L91-K132 PolarHBondContact O-N 3.46Å; L91-V133 HydrophobicContact CD2-CB 4.34Å; L91-V133 PolarHBondContact O-N 3.29Å; L91-V133 VanDerWaalsContact O-N 3.15Å; L91-E151 HydrophobicContact CD1-CG 4.08Å |
| 92 | T | 98.6 | Very high | 96.9 | Very high | 32 Ų | 32 | 33.8 Ų | 33.8 | 20% | 0.196 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -5.3 | 178.7 | 71.1 | 0 | 0 | 0 | 0 | 113.6 | D90 L127 D130 K132 | D90-T92 PolarHBondContact O-N 3.5Å; D90-T92 VanDerWaalsContact O-N 3.07Å; D90-T92 WeakPolarHBondContact OD1-CB 3.13Å; D90-T92 PolarHBondContact OD1-N 2.69Å; D90-T92 PolarHBondContact OD1-OG1 2.98Å; D90-T92 PolarHBondContact OD2-OG1 2.82Å; T92-L127 HydrophobicContact CG2-CB 3.52Å; T92-L127 HydrophobicContact CG2-CD1 3.92Å; T92-L127 HydrophobicContact CG2-CG 4.37Å; T92-D130 WeakPolarHBondContact CA-O 3.49Å; T92-D130 HydrophobicContact CG2-CB 3.88Å; T92-K132 WeakPolarHBondContact O-CG 3.34Å |
| 93 | N | 98.1 | Very high | 96.9 | Very high | 63 Ų | 63 | 33.8 Ų | 33.8 | 34% | 0.337 | 15% | 0.154 | S | C | . | . | trans | -132.5 | 95.4 | -177.2 | -173.1 | -10.6 | 0 | 0 | 0 | 111.7 | D90 K95 T96 | D90-N93 HydrophobicContact CB-CB 4.08Å; D90-N93 CarbonylContact O-C 3.56Å; D90-N93 PolarHBondContact O-N 2.92Å; N93-K95 VanDerWaalsContact C-N 3.26Å; N93-K95 PolarHBondContact O-N 2.9Å; N93-K95 PolarHBondContact OD1-N 3.22Å; N93-T96 HydrophobicContact CB-CG2 4.05Å; N93-T96 PolarHBondContact O-N 2.64Å; N93-T96 PolarHBondContact O-OG1 3.21Å | ||
| 94 | R | 98.1 | Very high | 96.7 | Very high | 99 Ų | 99 | 36.2 Ų | 36.2 | 37% | 0.374 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -51.7 | -40.1 | -178.3 | 178.1 | 53.9 | 173.2 | -122.5 | 17.9 | 113.8 | T96 F97 D98 K132 E137 | R94-T96 PolarHBondContact O-N 2.98Å; R94-T96 VanDerWaalsContact O-N 3.16Å; R94-F97 WeakPolarHBondContact O-CA 3.33Å; R94-F97 VanDerWaalsContact O-CB 3.31Å; R94-F97 WeakPolarHBondContact O-CB 3.29Å; R94-F97 PolarHBondContact O-N 3.42Å; R94-D98 IonicContact CZ-OD1 3.33Å; R94-D98 IonicContact NE-OD1 2.99Å; R94-D98 PolarHBondContact NE-OD1 3.39Å; R94-D98 IonicContact NE-OD2 2.72Å; R94-D98 IonicContact NH2-OD1 3.02Å; R94-D98 PolarHBondContact O-N 3.19Å; R94-D98 VanDerWaalsContact O-N 3.08Å; R94-K132 HydrophobicContact CB-CB 4.22Å; R94-E137 IonicContact CZ-OE2 3.34Å; R94-E137 IonicContact NH1-OE1 2.7Å; R94-E137 PolarHBondContact NH1-OE1 3.21Å; R94-E137 IonicContact NH1-OE2 3.93Å; R94-E137 PolarHBondContact NH1-OE2 3.37Å; R94-E137 IonicContact NH2-OE2 3.67Å; R94-E137 PolarHBondContact NH2-OE2 3.44Å |
| 95 | K | 97.6 | Very high | 96.3 | Very high | 131 Ų | 131 | 42.3 Ų | 42.3 | 57% | 0.57 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -56.5 | -37.7 | -178.7 | -176.7 | 174.1 | 175 | 177.5 | 0 | 112.2 | N93 F97 D98 H99 | N93-K95 VanDerWaalsContact C-N 3.26Å; N93-K95 PolarHBondContact O-N 2.9Å; N93-K95 PolarHBondContact OD1-N 3.22Å; K95-F97 VanDerWaalsContact C-N 3.28Å; K95-F97 PolarHBondContact O-N 2.81Å; K95-D98 PolarHBondContact O-N 3.08Å; K95-H99 WeakPolarHBondContact CE-CE1 3.16Å; K95-H99 VanDerWaalsContact O-CG 3.28Å; K95-H99 PolarHBondContact O-N 2.99Å; K95-H99 PolarHBondContact O-ND1 2.73Å |
| 96 | T | 97.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.3 | -27.4 | 179.7 | 69.7 | 0 | 0 | 0 | 0 | 112.7 | D16 V19 F89 D90 N93 R94 | D16-T96 HydrophobicContact CB-CG2 3.89Å; V19-T96 HydrophobicContact CG1-CG2 3.7Å; F89-T96 WeakPolarHBondContact CB-O 3.29Å; D90-T96 PolarHBondContact N-OG1 3.47Å; D90-T96 PolarHBondContact O-OG1 3.37Å; N93-T96 HydrophobicContact CB-CG2 4.05Å; N93-T96 PolarHBondContact O-N 2.64Å; N93-T96 PolarHBondContact O-OG1 3.21Å; R94-T96 PolarHBondContact O-N 2.98Å; R94-T96 VanDerWaalsContact O-N 3.16Å |
| 97 | F | 98.6 | Very high | 95.3 | Very high | 16 Ų | 16 | 43.7 Ų | 43.7 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -74 | -43.5 | 173 | 175 | -105.8 | 0 | 0 | 0 | 111.3 | F89 R94 K95 H99 V100 V133 E137 A138 L141 | F89-F97 HydrophobicContact CB-CB 4.42Å; F89-F97 AromaticContact CD1-CD2 3.99Å; F89-F97 HydrophobicContact CD1-CD2 3.99Å; F89-F97 HydrophobicContact CD2-CB 3.71Å; F89-F97 AromaticContact CD2-CD2 3.86Å; F89-F97 HydrophobicContact CD2-CD2 3.86Å; F89-F97 HydrophobicContact CD2-CG 4.25Å; F89-F97 AromaticContact CE1-CD2 3.77Å; F89-F97 HydrophobicContact CE1-CD2 3.77Å; F89-F97 HydrophobicContact CE1-CE2 4.2Å; F89-F97 HydrophobicContact CE2-CB 4.11Å; F89-F97 AromaticContact CE2-CD2 3.61Å; F89-F97 HydrophobicContact CE2-CD2 3.61Å; F89-F97 HydrophobicContact CE2-CE2 4.43Å; F89-F97 HydrophobicContact CE2-CG 4.22Å; F89-F97 HydrophobicContact CG-CB 4.11Å; F89-F97 HydrophobicContact CG-CD2 4.02Å; F89-F97 AromaticContact CZ-CD2 3.57Å; F89-F97 HydrophobicContact CZ-CD2 3.57Å; F89-F97 HydrophobicContact CZ-CE2 4.01Å; R94-F97 WeakPolarHBondContact O-CA 3.33Å; R94-F97 VanDerWaalsContact O-CB 3.31Å; R94-F97 WeakPolarHBondContact O-CB 3.29Å; R94-F97 PolarHBondContact O-N 3.42Å; K95-F97 VanDerWaalsContact C-N 3.28Å; K95-F97 PolarHBondContact O-N 2.81Å; F97-H99 PolarHBondContact O-N 3.14Å; F97-V100 VanDerWaalsContact O-CB 3.28Å; F97-V100 WeakPolarHBondContact O-CB 3.33Å; F97-V100 VanDerWaalsContact O-CG2 3.29Å; F97-V100 WeakPolarHBondContact O-CG2 3.34Å; F97-V100 PolarHBondContact O-N 2.82Å; F97-V133 HydrophobicContact CB-CG1 4.46Å; F97-V133 HydrophobicContact CB-CG2 3.78Å; F97-V133 HydrophobicContact CD1-CG1 4.14Å; F97-V133 HydrophobicContact CD1-CG2 4.4Å; F97-V133 HydrophobicContact CD2-CG1 3.89Å; F97-V133 HydrophobicContact CE1-CG1 4.3Å; F97-V133 HydrophobicContact CE2-CG1 4.06Å; F97-V133 HydrophobicContact CG-CG1 3.91Å; F97-V133 HydrophobicContact CG-CG2 4.07Å; F97-V133 HydrophobicContact CZ-CG1 4.25Å; F97-E137 HydrophobicContact CE1-CG 4.29Å; F97-E137 HydrophobicContact CZ-CG 4.19Å; F97-A138 HydrophobicContact CE2-CB 4.02Å; F97-L141 HydrophobicContact CD2-CD2 4.02Å; F97-L141 HydrophobicContact CE1-CD2 4.38Å; F97-L141 HydrophobicContact CE2-CB 4.11Å; F97-L141 HydrophobicContact CE2-CD2 3.34Å; F97-L141 HydrophobicContact CE2-CG 4.34Å; F97-L141 HydrophobicContact CZ-CB 3.83Å; F97-L141 HydrophobicContact CZ-CD2 3.56Å; F97-L141 HydrophobicContact CZ-CG 4.32Å |
| 98 | D | 97.4 | Very high | 94.8 | Very high | 86 Ų | 86 | 45.4 Ų | 45.4 | 46% | 0.46 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.9 | -31.6 | 179.7 | -58.1 | -31 | 0 | 0 | 0 | 111.6 | R94 K95 V100 | R94-D98 IonicContact CZ-OD1 3.33Å; R94-D98 IonicContact NE-OD1 2.99Å; R94-D98 PolarHBondContact NE-OD1 3.39Å; R94-D98 IonicContact NE-OD2 2.72Å; R94-D98 IonicContact NH2-OD1 3.02Å; R94-D98 PolarHBondContact O-N 3.19Å; R94-D98 VanDerWaalsContact O-N 3.08Å; K95-D98 PolarHBondContact O-N 3.08Å; D98-V100 PolarHBondContact O-N 3.04Å |
| 99 | H | 95.9 | Very high | 94.2 | Very high | 42 Ų | 42 | 50.8 Ų | 50.8 | 19% | 0.194 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -7.8 | 176.4 | -62.1 | 166.7 | 0 | 0 | 0 | 115.3 | D16 K95 F97 R101 E102 W103 | D16-H99 IonicContact OD1-CG 3.34Å; D16-H99 IonicContact OD1-ND1 3.31Å; D16-H99 PolarHBondContact OD1-ND1 3.1Å; D16-H99 IonicContact OD2-CE1 3.73Å; D16-H99 IonicContact OD2-CG 2.73Å; D16-H99 IonicContact OD2-ND1 2.79Å; D16-H99 PolarHBondContact OD2-ND1 2.6Å; K95-H99 WeakPolarHBondContact CE-CE1 3.16Å; K95-H99 VanDerWaalsContact O-CG 3.28Å; K95-H99 PolarHBondContact O-N 2.99Å; K95-H99 PolarHBondContact O-ND1 2.73Å; F97-H99 PolarHBondContact O-N 3.14Å; H99-R101 PolarHBondContact O-N 3.45Å; H99-E102 WeakPolarHBondContact O-CB 3.3Å; H99-E102 PolarHBondContact O-N 3.49Å; H99-W103 PolarHBondContact O-N 3.44Å; H99-W103 VanDerWaalsContact O-N 3.12Å |
| 100 | V | 96.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.1 | -41 | -177.7 | 165 | 0 | 0 | 0 | 0 | 111.8 | L87 F89 F97 D98 E102 W103 H104 L120 L141 M145 | L87-V100 HydrophobicContact CB-CG1 4.36Å; L87-V100 HydrophobicContact CD1-CG1 4.34Å; F89-V100 HydrophobicContact CB-CG2 3.95Å; F89-V100 HydrophobicContact CD1-CG2 4.05Å; F89-V100 HydrophobicContact CG-CG2 4.3Å; F97-V100 VanDerWaalsContact O-CB 3.28Å; F97-V100 WeakPolarHBondContact O-CB 3.33Å; F97-V100 VanDerWaalsContact O-CG2 3.29Å; F97-V100 WeakPolarHBondContact O-CG2 3.34Å; F97-V100 PolarHBondContact O-N 2.82Å; D98-V100 PolarHBondContact O-N 3.04Å; V100-E102 VanDerWaalsContact C-N 3.31Å; V100-E102 PolarHBondContact O-N 3.44Å; V100-W103 PolarHBondContact O-N 2.96Å; V100-H104 PolarHBondContact O-N 3.38Å; V100-L120 HydrophobicContact CB-CD1 4.48Å; V100-L120 HydrophobicContact CG1-CD1 3.62Å; V100-L120 HydrophobicContact CG2-CD1 4.03Å; V100-L141 HydrophobicContact CB-CD2 4.16Å; V100-L141 HydrophobicContact CG1-CD2 3.99Å; V100-M145 HydrophobicContact CG1-SD 4.25Å |
| 101 | R | 94.6 | Very high | 92.6 | Very high | 118 Ų | 118 | 54.5 Ų | 54.5 | 45% | 0.445 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.4 | -34.7 | 179.4 | -67.6 | -171.1 | -173.3 | -92.7 | 6.4 | 112.5 | H99 H104 K105 L141 E144 | H99-R101 PolarHBondContact O-N 3.45Å; R101-H104 PolarHBondContact O-N 2.77Å; R101-K105 VanDerWaalsContact O-CB 3.25Å; R101-K105 WeakPolarHBondContact O-CB 3.15Å; R101-K105 PolarHBondContact O-N 3.45Å; R101-L141 HydrophobicContact CG-CD1 4.08Å; R101-E144 IonicContact CZ-OE2 3.85Å; R101-E144 IonicContact NH2-OE2 3.45Å; R101-E144 PolarHBondContact NH2-OE2 2.98Å |
| 102 | E | 92.4 | Very high | 91.6 | Very high | 101 Ų | 101 | 60.1 Ų | 60.1 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.9 | -46.1 | 176.7 | -60.2 | -176.8 | 179.8 | 0 | 0 | 110.4 | H99 V100 H104 K105 E106 | H99-E102 WeakPolarHBondContact O-CB 3.3Å; H99-E102 PolarHBondContact O-N 3.49Å; V100-E102 VanDerWaalsContact C-N 3.31Å; V100-E102 PolarHBondContact O-N 3.44Å; E102-H104 PolarHBondContact O-N 3.14Å; E102-K105 PolarHBondContact O-N 2.87Å; E102-E106 WeakPolarHBondContact O-CB 3.46Å; E102-E106 PolarHBondContact O-N 2.98Å |
| 103 | W | 91.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 63.1 Ų | 63.1 | 1% | 0.011 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59 | -45.2 | 174.6 | -78.8 | 108.3 | 0 | 0 | 0 | 112.5 | L14 G15 D16 R72 L87 H99 V100 V107 | L14-W103 HydrophobicContact CB-CE3 4.47Å; L14-W103 HydrophobicContact CD2-CE3 4.42Å; G15-W103 VanDerWaalsContact C-CE2 3.42Å; G15-W103 VanDerWaalsContact C-NE1 3.34Å; G15-W103 WeakPolarHBondContact O-CZ2 3.36Å; D16-W103 PolarHBondContact OD1-NE1 3.02Å; R72-W103 HydrophobicContact CG-CH2 4.5Å; L87-W103 HydrophobicContact CD2-CB 4.08Å; H99-W103 PolarHBondContact O-N 3.44Å; H99-W103 VanDerWaalsContact O-N 3.12Å; V100-W103 PolarHBondContact O-N 2.96Å; W103-V107 WeakPolarHBondContact O-CG2 2.86Å; W103-V107 PolarHBondContact O-N 3.38Å |
| 104 | H | 91.8 | Very high | 89.5 | Confident | 51 Ų | 51 | 61.5 Ų | 61.5 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 177 | 175.6 | -95.6 | 0 | 0 | 0 | 112.1 | L87 V100 R101 E102 V107 S108 Y118 M145 | L87-H104 HydrophobicContact CD1-CB 4.07Å; L87-H104 HydrophobicContact CD2-CB 4.27Å; V100-H104 PolarHBondContact O-N 3.38Å; R101-H104 PolarHBondContact O-N 2.77Å; E102-H104 PolarHBondContact O-N 3.14Å; H104-V107 PolarHBondContact O-N 2.97Å; H104-S108 PolarHBondContact CE1-OG 3.43Å; H104-S108 WeakPolarHBondContact O-CB 3.41Å; H104-S108 PolarHBondContact O-N 2.85Å; H104-S108 PolarHBondContact O-OG 3.31Å; H104-Y118 AromaticContact CD2-CD2 3.95Å; H104-Y118 AromaticContact CD2-CE2 3.82Å; H104-Y118 AromaticContact NE2-CD2 3.96Å; H104-Y118 AromaticContact NE2-CE2 3.79Å; H104-M145 HydrophobicContact CB-CE 3.61Å; H104-M145 VanDerWaalsContact CG-CE 3.43Å |
| 105 | K | 89.5 | Confident | 88.7 | Confident | 127 Ų | 127 | 64 Ų | 64 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.9 | -47.2 | 179.1 | -178.8 | 179.2 | 173.3 | -177.2 | 0 | 111.4 | R101 E102 V107 S108 E109 | R101-K105 VanDerWaalsContact O-CB 3.25Å; R101-K105 WeakPolarHBondContact O-CB 3.15Å; R101-K105 PolarHBondContact O-N 3.45Å; E102-K105 PolarHBondContact O-N 2.87Å; K105-V107 VanDerWaalsContact C-N 3.32Å; K105-V107 PolarHBondContact O-N 3.05Å; K105-S108 PolarHBondContact O-N 2.99Å; K105-E109 WeakPolarHBondContact CE-OE1 3.21Å; K105-E109 HydrophobicContact CG-CG 4.47Å; K105-E109 IonicContact NZ-OE1 3.95Å; K105-E109 WeakPolarHBondContact O-CG 3.44Å; K105-E109 PolarHBondContact O-N 3.17Å |
| 106 | E | 85.9 | Confident | 88.5 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.2 | -47.9 | 178.6 | -179.4 | 175.5 | 172.9 | 0 | 0 | 111.1 | R72 Y79 E102 H110 | R72-E106 WeakPolarHBondContact CB-OE1 3.34Å; R72-E106 WeakPolarHBondContact CD-OE1 3.43Å; R72-E106 VanDerWaalsContact CD-OE2 3.31Å; R72-E106 WeakPolarHBondContact CD-OE2 3.49Å; R72-E106 VanDerWaalsContact CG-OE1 3.31Å; R72-E106 WeakPolarHBondContact CG-OE1 3.5Å; R72-E106 IonicContact CZ-OE2 3.52Å; R72-E106 IonicContact NE-OE2 3.84Å; R72-E106 PolarHBondContact NE-OE2 3.48Å; R72-E106 IonicContact NH1-OE2 2.73Å; Y79-E106 HydrophobicContact CE2-CG 4.3Å; E102-E106 WeakPolarHBondContact O-CB 3.46Å; E102-E106 PolarHBondContact O-N 2.98Å; E106-H110 PolarHBondContact O-ND1 3.48Å |
| 107 | V | 86.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.8 | -44.8 | 178.3 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | L14 Y79 W103 H104 K105 E109 H110 I111 M116 Y118 | L14-V107 HydrophobicContact CD1-CB 4.37Å; L14-V107 HydrophobicContact CD1-CG2 3.56Å; L14-V107 HydrophobicContact CD2-CG2 3.73Å; L14-V107 HydrophobicContact CG-CG2 4.29Å; Y79-V107 HydrophobicContact CD1-CG1 4.26Å; Y79-V107 HydrophobicContact CD1-CG2 3.69Å; Y79-V107 HydrophobicContact CD2-CG2 4.17Å; Y79-V107 HydrophobicContact CE1-CG2 3.67Å; Y79-V107 HydrophobicContact CE2-CG2 4.16Å; Y79-V107 HydrophobicContact CG-CB 4.46Å; Y79-V107 HydrophobicContact CG-CG1 4.15Å; Y79-V107 HydrophobicContact CG-CG2 3.97Å; W103-V107 WeakPolarHBondContact O-CG2 2.86Å; W103-V107 PolarHBondContact O-N 3.38Å; H104-V107 PolarHBondContact O-N 2.97Å; K105-V107 VanDerWaalsContact C-N 3.32Å; K105-V107 PolarHBondContact O-N 3.05Å; V107-E109 PolarHBondContact O-N 3.29Å; V107-H110 PolarHBondContact O-N 2.73Å; V107-I111 HydrophobicContact CG1-CG2 3.71Å; V107-I111 WeakPolarHBondContact O-CG1 3.22Å; V107-I111 WeakPolarHBondContact O-CG2 3.3Å; V107-I111 PolarHBondContact O-N 3Å; V107-I111 VanDerWaalsContact O-N 3.14Å; V107-M116 HydrophobicContact CG1-CE 3.52Å; V107-M116 HydrophobicContact CG1-SD 4.06Å; V107-Y118 WeakPolarHBondContact CG1-OH 3.49Å |
| 108 | S | 85.8 | Confident | 88.3 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.6 | -36.6 | -178.2 | -62 | 0 | 0 | 0 | 0 | 113 | H104 K105 H110 | H104-S108 PolarHBondContact CE1-OG 3.43Å; H104-S108 WeakPolarHBondContact O-CB 3.41Å; H104-S108 PolarHBondContact O-N 2.85Å; H104-S108 PolarHBondContact O-OG 3.31Å; K105-S108 PolarHBondContact O-N 2.99Å; S108-H110 VanDerWaalsContact C-N 3.29Å; S108-H110 PolarHBondContact O-N 2.79Å |
| 109 | E | 85.5 | Confident | 88.4 | Confident | 116 Ų | 116 | 55.1 Ų | 55.1 | 54% | 0.542 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71.8 | -20.9 | 178.6 | -71.2 | 174.5 | 170.9 | 0 | 0 | 113.3 | K105 V107 | K105-E109 WeakPolarHBondContact CE-OE1 3.21Å; K105-E109 HydrophobicContact CG-CG 4.47Å; K105-E109 IonicContact NZ-OE1 3.95Å; K105-E109 WeakPolarHBondContact O-CG 3.44Å; K105-E109 PolarHBondContact O-N 3.17Å; V107-E109 PolarHBondContact O-N 3.29Å |
| 110 | H | 83.1 | Confident | 88.5 | Confident | 74 Ų | 74 | 53.1 Ų | 53.1 | 34% | 0.343 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -108.1 | -9.3 | -173.5 | -68.1 | 92.1 | 0 | 0 | 0 | 114.9 | T76 Y79 E106 V107 S108 | T76-H110 HydrophobicContact CG2-CB 3.98Å; T76-H110 WeakPolarHBondContact CG2-CD2 3.41Å; Y79-H110 HydrophobicContact CD2-CB 4.19Å; E106-H110 PolarHBondContact O-ND1 3.48Å; V107-H110 PolarHBondContact O-N 2.73Å; S108-H110 VanDerWaalsContact C-N 3.29Å; S108-H110 PolarHBondContact O-N 2.79Å |
| 111 | I | 81.9 | Confident | 88.6 | Confident | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -95.2 | -5.1 | -178.7 | 62.7 | 171.4 | 0 | 0 | 0 | 114.6 | Y79 V107 H114 M116 | Y79-I111 VanDerWaalsContact O-CG2 3.29Å; Y79-I111 WeakPolarHBondContact O-CG2 3.16Å; V107-I111 HydrophobicContact CG1-CG2 3.71Å; V107-I111 WeakPolarHBondContact O-CG1 3.22Å; V107-I111 WeakPolarHBondContact O-CG2 3.3Å; V107-I111 PolarHBondContact O-N 3Å; V107-I111 VanDerWaalsContact O-N 3.14Å; I111-H114 WeakPolarHBondContact CG1-O 3.25Å; I111-H114 WeakPolarHBondContact O-CA 3.33Å; I111-H114 VanDerWaalsContact O-CB 3.29Å; I111-H114 WeakPolarHBondContact O-CB 3.42Å; I111-H114 PolarHBondContact O-CD2 2.77Å; I111-H114 PolarHBondContact O-N 2.93Å; I111-M116 HydrophobicContact CD1-CB 3.58Å; I111-M116 HydrophobicContact CD1-CE 4.45Å; I111-M116 HydrophobicContact CG2-CE 3.98Å |
| 112 | L | 76 | Confident | 88.8 | Confident | 120 Ų | 120 | 47.3 Ų | 47.3 | 63% | 0.628 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 137.2 | 177.9 | -66.8 | 176.6 | 0 | 0 | 0 | 111.2 | ||
| 113 | P | 74.4 | Confident | 89.1 | Confident | 95 Ų | 95 | 42.8 Ų | 42.8 | 62% | 0.617 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -90.5 | 16 | 7.1 | 38.2 | -38 | 0 | 0 | 0 | 114.8 | ||
| 114 | H | 78.7 | Confident | 89.5 | Confident | 29 Ų | 29 | 45 Ų | 45 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | trans | -89.4 | 155.2 | -177.1 | -51.9 | -78.1 | 0 | 0 | 0 | 111.9 | I111 W186 | I111-H114 WeakPolarHBondContact CG1-O 3.25Å; I111-H114 WeakPolarHBondContact O-CA 3.33Å; I111-H114 VanDerWaalsContact O-CB 3.29Å; I111-H114 WeakPolarHBondContact O-CB 3.42Å; I111-H114 PolarHBondContact O-CD2 2.77Å; I111-H114 PolarHBondContact O-N 2.93Å; H114-W186 HydrophobicContact CB-CZ2 4.1Å; H114-W186 AromaticContact CD2-CD1 3.88Å; H114-W186 AromaticContact CD2-NE1 3.81Å; H114-W186 AromaticContact CE1-CD1 3.73Å; H114-W186 AromaticContact CE1-CD2 3.8Å; H114-W186 AromaticContact CE1-CG 3.56Å; H114-W186 AromaticContact CG-CE2 3.82Å; H114-W186 AromaticContact CG-NE1 3.71Å; H114-W186 AromaticContact ND1-CD2 3.68Å; H114-W186 AromaticContact ND1-CE2 3.66Å; H114-W186 AromaticContact ND1-CG 3.92Å; H114-W186 AromaticContact ND1-NE1 3.87Å; H114-W186 AromaticContact NE2-CD1 3.66Å; H114-W186 AromaticContact NE2-CG 3.92Å | ||
| 115 | H | 82.5 | Confident | 89.8 | Confident | 153 Ų | 153 | 43.2 Ų | 43.2 | 71% | 0.708 | 22% | 0.217 | S | C | * | . | trans | -108.7 | 140.5 | 170.4 | -69 | -80.8 | 0 | 0 | 0 | 109.4 | ||||
| 116 | M | 92.4 | Very high | 90.2 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | trans | -109.8 | 137.6 | 176.4 | -179.2 | 178.9 | -51.1 | 0 | 0 | 109.3 | I12 V83 V107 I111 Y118 | I12-M116 HydrophobicContact CG2-CE 4.17Å; I12-M116 HydrophobicContact CG2-SD 4Å; V83-M116 WeakPolarHBondContact O-CA 2.84Å; V107-M116 HydrophobicContact CG1-CE 3.52Å; V107-M116 HydrophobicContact CG1-SD 4.06Å; I111-M116 HydrophobicContact CD1-CB 3.58Å; I111-M116 HydrophobicContact CD1-CE 4.45Å; I111-M116 HydrophobicContact CG2-CE 3.98Å; M116-Y118 HydrophobicContact CB-CD2 4.42Å; M116-Y118 HydrophobicContact CB-CE1 4.4Å; M116-Y118 HydrophobicContact CB-CE2 3.67Å; M116-Y118 HydrophobicContact CG-CD1 4.37Å; M116-Y118 HydrophobicContact CG-CD2 4.41Å; M116-Y118 HydrophobicContact CG-CE1 3.9Å; M116-Y118 HydrophobicContact CG-CE2 3.95Å; M116-Y118 WeakPolarHBondContact O-CD2 3.42Å; M116-Y118 VanDerWaalsContact O-CE2 3.23Å; M116-Y118 WeakPolarHBondContact O-CE2 3.2Å; M116-Y118 HydrophobicContact SD-CD1 4.11Å; M116-Y118 HydrophobicContact SD-CE1 3.33Å; M116-Y118 WeakPolarHBondContact SD-CE1 3.28Å; M116-Y118 HydrophobicContact SD-CE2 4.36Å; M116-Y118 PolarHBondContact SD-OH 2.72Å | ||
| 117 | V | 96.3 | Very high | 90.7 | Very high | 19 Ų | 19 | 41 Ų | 41 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 130.3 | 173 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | V83 G84 G85 L167 D170 I171 L174 I180 | V83-V117 PolarHBondContact O-N 2.91Å; G84-V117 CarbonylContact C-O 3.52Å; G84-V117 VanDerWaalsContact CA-O 3.24Å; G84-V117 WeakPolarHBondContact CA-O 3.42Å; G85-V117 PolarHBondContact N-O 2.96Å; V117-L167 HydrophobicContact CB-CD1 3.98Å; V117-L167 HydrophobicContact CG1-CD1 3.77Å; V117-L167 WeakPolarHBondContact O-CD1 2.86Å; V117-D170 HydrophobicContact CG1-CB 3.92Å; V117-I171 HydrophobicContact CB-CG1 3.77Å; V117-I171 HydrophobicContact CG1-CG1 4.27Å; V117-I171 HydrophobicContact CG2-CG1 3.69Å; V117-L174 HydrophobicContact CG2-CD1 3.58Å; V117-I180 HydrophobicContact CG2-CD1 3.73Å |
| 118 | Y | 96.9 | Very high | 91.1 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 6% | 0.059 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 151.1 | -176.9 | -63.4 | -88.3 | 0 | 0 | 0 | 112.9 | L14 G85 L87 H104 V107 M116 | L14-Y118 HydrophobicContact CD1-CE1 4.06Å; G85-Y118 VanDerWaalsContact O-CA 3.28Å; G85-Y118 WeakPolarHBondContact O-CA 3.29Å; L87-Y118 HydrophobicContact CD1-CD1 4.03Å; L87-Y118 HydrophobicContact CD1-CG 4.36Å; L87-Y118 HydrophobicContact CG-CD1 4.02Å; H104-Y118 AromaticContact CD2-CD2 3.95Å; H104-Y118 AromaticContact CD2-CE2 3.82Å; H104-Y118 AromaticContact NE2-CD2 3.96Å; H104-Y118 AromaticContact NE2-CE2 3.79Å; V107-Y118 WeakPolarHBondContact CG1-OH 3.49Å; M116-Y118 HydrophobicContact CB-CD2 4.42Å; M116-Y118 HydrophobicContact CB-CE1 4.4Å; M116-Y118 HydrophobicContact CB-CE2 3.67Å; M116-Y118 HydrophobicContact CG-CD1 4.37Å; M116-Y118 HydrophobicContact CG-CD2 4.41Å; M116-Y118 HydrophobicContact CG-CE1 3.9Å; M116-Y118 HydrophobicContact CG-CE2 3.95Å; M116-Y118 WeakPolarHBondContact O-CD2 3.42Å; M116-Y118 VanDerWaalsContact O-CE2 3.23Å; M116-Y118 WeakPolarHBondContact O-CE2 3.2Å; M116-Y118 HydrophobicContact SD-CD1 4.11Å; M116-Y118 HydrophobicContact SD-CE1 3.33Å; M116-Y118 WeakPolarHBondContact SD-CE1 3.28Å; M116-Y118 HydrophobicContact SD-CE2 4.36Å; M116-Y118 PolarHBondContact SD-OH 2.72Å |
| 119 | I | 98.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 136 | 161.2 | -63.8 | -170.8 | 0 | 0 | 0 | 108.9 | G85 L86 L87 I121 R148 V150 L166 L167 | G85-I119 PolarHBondContact O-N 3.47Å; L86-I119 HydrophobicContact CD2-CB 4.01Å; L87-I119 PolarHBondContact N-O 3.37Å; I119-I121 HydrophobicContact CG2-CD1 3.6Å; I119-I121 HydrophobicContact CG2-CG1 4.39Å; I119-R148 HydrophobicContact CD1-CB 4.47Å; I119-R148 HydrophobicContact CG1-CB 4.29Å; I119-R148 HydrophobicContact CG2-CB 4.41Å; I119-V150 HydrophobicContact CG2-CG2 4.04Å; I119-L166 HydrophobicContact CD1-CB 3.56Å; I119-L167 HydrophobicContact CD1-CB 3.76Å; I119-L167 VanDerWaalsContact CD1-N 3.33Å; I119-L167 HydrophobicContact CG1-CB 4.23Å; I119-L167 HydrophobicContact CG1-CD1 4.35Å |
| 120 | L | 98.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 128.8 | 170.1 | -175.7 | 63.1 | 0 | 0 | 0 | 110.3 | L87 F89 V100 A138 L141 A142 I147 R148 Y149 V150 | L87-L120 HydrophobicContact CB-CD1 4.11Å; F89-L120 HydrophobicContact CD1-CD1 3.77Å; F89-L120 HydrophobicContact CD1-CG 4.3Å; F89-L120 HydrophobicContact CE1-CD1 3.83Å; F89-L120 HydrophobicContact CE1-CD2 4.12Å; F89-L120 HydrophobicContact CE1-CG 3.86Å; V100-L120 HydrophobicContact CB-CD1 4.48Å; V100-L120 HydrophobicContact CG1-CD1 3.62Å; V100-L120 HydrophobicContact CG2-CD1 4.03Å; L120-A138 WeakPolarHBondContact CD2-O 3.48Å; L120-L141 HydrophobicContact CD2-CB 4.44Å; L120-L141 HydrophobicContact CD2-CD2 4.13Å; L120-L141 HydrophobicContact CD2-CG 4.28Å; L120-A142 HydrophobicContact CB-CB 4.35Å; L120-A142 HydrophobicContact CD2-CB 3.98Å; L120-I147 HydrophobicContact CB-CD1 3.85Å; L120-I147 HydrophobicContact CB-CG1 4.36Å; L120-R148 PolarHBondContact N-O 2.95Å; L120-Y149 HydrophobicContact CB-CD2 4.05Å; L120-Y149 HydrophobicContact CD2-CD2 3.84Å; L120-Y149 HydrophobicContact CD2-CE2 4.34Å; L120-Y149 HydrophobicContact CG-CD2 3.78Å; L120-Y149 HydrophobicContact CG-CE2 4.27Å; L120-Y149 CarbonylContact O-C 3.49Å; L120-Y149 WeakPolarHBondContact O-CA 3.43Å; L120-Y149 WeakPolarHBondContact O-CD2 3.48Å; L120-V150 PolarHBondContact O-N 3.07Å |
| 121 | I | 98.8 | Very high | 93 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 114.5 | -177.6 | -55.7 | -62.6 | 0 | 0 | 0 | 110.5 | L24 L86 L87 V88 F89 I119 H123 V150 T152 A163 | L24-I121 HydrophobicContact CD2-CG2 4.28Å; L86-I121 HydrophobicContact CB-CG1 4.3Å; L86-I121 HydrophobicContact CD2-CD1 4.26Å; L86-I121 HydrophobicContact CD2-CG1 4.14Å; L87-I121 PolarHBondContact O-N 2.81Å; V88-I121 HydrophobicContact CB-CB 4.48Å; V88-I121 HydrophobicContact CG1-CB 4.39Å; V88-I121 HydrophobicContact CG1-CG2 4.24Å; V88-I121 HydrophobicContact CG2-CB 4.19Å; V88-I121 HydrophobicContact CG2-CG1 4.47Å; F89-I121 WeakPolarHBondContact CD1-O 3.42Å; F89-I121 PolarHBondContact N-O 2.81Å; I119-I121 HydrophobicContact CG2-CD1 3.6Å; I119-I121 HydrophobicContact CG2-CG1 4.39Å; I121-H123 HydrophobicContact CG2-CB 4.5Å; I121-H123 PolarHBondContact O-N 2.67Å; I121-V150 WeakPolarHBondContact CA-O 3.31Å; I121-V150 HydrophobicContact CD1-CB 3.97Å; I121-T152 HydrophobicContact CD1-CG2 4.46Å; I121-T152 HydrophobicContact CG2-CG2 3.93Å; I121-T152 WeakPolarHBondContact CG2-OG1 3.31Å; I121-A163 HydrophobicContact CD1-CB 3.72Å |
| 122 | G | 98.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 100.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V150 E151 T152 | G122-V150 PolarHBondContact N-O 3.12Å; G122-E151 CarbonylContact O-C 3.52Å; G122-E151 VanDerWaalsContact O-CA 3.24Å; G122-E151 WeakPolarHBondContact O-CA 3.37Å; G122-T152 PolarHBondContact O-N 2.78Å |
| 123 | H | 98.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.023 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 166 | -175.2 | -157.9 | 57.4 | 0 | 0 | 0 | 112.9 | V19 V88 F89 L91 I121 S125 T152 A154 | V19-H123 PolarHBondContact O-CD2 2.97Å; V88-H123 HydrophobicContact CG1-CB 3.83Å; F89-H123 WeakPolarHBondContact O-CB 3.4Å; F89-H123 PolarHBondContact O-N 2.88Å; L91-H123 WeakPolarHBondContact CB-O 3.4Å; L91-H123 WeakPolarHBondContact CD1-O 3.09Å; L91-H123 VanDerWaalsContact CG-O 3.3Å; L91-H123 WeakPolarHBondContact CG-O 3.3Å; L91-H123 PolarHBondContact N-O 3.26Å; I121-H123 HydrophobicContact CG2-CB 4.5Å; I121-H123 PolarHBondContact O-N 2.67Å; H123-S125 VanDerWaalsContact C-N 3.33Å; H123-S125 PolarHBondContact O-N 2.95Å; H123-T152 CarbonylContact C-O 3.52Å; H123-T152 PolarHBondContact ND1-OG1 2.94Å; H123-A154 PolarHBondContact CE1-N 2.97Å; H123-A154 VanDerWaalsContact CE1-N 3.27Å |
| 124 | K | 98.4 | Very high | 96 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 22% | 0.217 | 25% | 0.246 | C | C | . | . | trans | 61.3 | 36.8 | -178.2 | -46.8 | -170.3 | -167 | 165.5 | 0 | 113.8 | T18 D90 D126 L127 T152 | T18-K124 WeakPolarHBondContact O-CE 3.18Å; T18-K124 PolarHBondContact O-NZ 2.8Å; D90-K124 WeakPolarHBondContact OD2-CD 3.41Å; D90-K124 VanDerWaalsContact OD2-CE 3.25Å; D90-K124 WeakPolarHBondContact OD2-CE 3.47Å; D90-K124 IonicContact OD2-NZ 3.35Å; D90-K124 PolarHBondContact OD2-NZ 3.04Å; K124-D126 PolarHBondContact O-N 3.13Å; K124-L127 HydrophobicContact CB-CD1 4.14Å; K124-L127 HydrophobicContact CB-CG 4.43Å; K124-L127 HydrophobicContact CD-CD1 4.24Å; K124-L127 PolarHBondContact O-N 2.76Å; K124-T152 PolarHBondContact N-O 3.46Å; K124-T152 VanDerWaalsContact N-O 3.12Å | ||
| 125 | S | 98.4 | Very high | 96.9 | Very high | 14 Ų | 14 | 56.9 Ų | 56.9 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.8 | 177.3 | 54.3 | 0 | 0 | 0 | 0 | 114.6 | H123 L127 N128 T152 | H123-S125 VanDerWaalsContact C-N 3.33Å; H123-S125 PolarHBondContact O-N 2.95Å; S125-L127 VanDerWaalsContact C-N 3.26Å; S125-L127 PolarHBondContact O-N 2.96Å; S125-N128 VanDerWaalsContact O-CG 3.26Å; S125-N128 PolarHBondContact O-ND2 2.94Å; S125-N128 PolarHBondContact O-OD1 2.62Å; S125-T152 PolarHBondContact N-O 3.14Å; S125-T152 PolarHBondContact OG-O 2.97Å |
| 126 | D | 98.1 | Very high | 97.7 | Very high | 48 Ų | 48 | 55.4 Ų | 55.4 | 26% | 0.257 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -25.1 | 170.4 | 54.5 | -73.9 | 0 | 0 | 0 | 113.2 | K124 N128 S153 K155 C156 | K124-D126 PolarHBondContact O-N 3.13Å; D126-N128 PolarHBondContact O-N 3.21Å; D126-N128 VanDerWaalsContact O-N 3.12Å; D126-S153 VanDerWaalsContact CG-OG 3.25Å; D126-S153 VanDerWaalsContact OD1-CB 3.26Å; D126-S153 WeakPolarHBondContact OD1-CB 3.36Å; D126-S153 PolarHBondContact OD1-OG 2.89Å; D126-K155 WeakPolarHBondContact OD2-CD 3.5Å; D126-C156 VanDerWaalsContact CB-SG 3.58Å |
| 127 | L | 97.1 | Very high | 97.9 | Very high | 61 Ų | 61 | 56.4 Ų | 56.4 | 32% | 0.319 | 27% | 0.269 | S | S | . | . | trans | -88.4 | 46.3 | -179.1 | -57.3 | -179.5 | 0 | 0 | 0 | 112.4 | T92 K124 S125 K129 D130 R131 | T92-L127 HydrophobicContact CG2-CB 3.52Å; T92-L127 HydrophobicContact CG2-CD1 3.92Å; T92-L127 HydrophobicContact CG2-CG 4.37Å; K124-L127 HydrophobicContact CB-CD1 4.14Å; K124-L127 HydrophobicContact CB-CG 4.43Å; K124-L127 HydrophobicContact CD-CD1 4.24Å; K124-L127 PolarHBondContact O-N 2.76Å; S125-L127 VanDerWaalsContact C-N 3.26Å; S125-L127 PolarHBondContact O-N 2.96Å; L127-K129 PolarHBondContact O-N 3.45Å; L127-K129 VanDerWaalsContact O-N 3.09Å; L127-D130 PolarHBondContact O-N 2.68Å; L127-R131 PolarHBondContact O-N 3.24Å | ||
| 128 | N | 94.9 | Very high | 98.1 | Very high | 97 Ų | 97 | 55.5 Ų | 55.5 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -57.5 | -28.5 | -174.8 | -80.3 | -53.6 | 0 | 0 | 0 | 114.5 | S125 D126 D130 R131 | S125-N128 VanDerWaalsContact O-CG 3.26Å; S125-N128 PolarHBondContact O-ND2 2.94Å; S125-N128 PolarHBondContact O-OD1 2.62Å; D126-N128 PolarHBondContact O-N 3.21Å; D126-N128 VanDerWaalsContact O-N 3.12Å; N128-D130 VanDerWaalsContact C-N 3.27Å; N128-D130 PolarHBondContact O-N 3.15Å; N128-R131 WeakPolarHBondContact O-CB 3.5Å; N128-R131 PolarHBondContact O-N 3.22Å; N128-R131 PolarHBondContact OD1-NE 3.05Å; N128-R131 PolarHBondContact OD1-NH2 3.21Å |
| 129 | K | 97.1 | Very high | 98.1 | Very high | 207 Ų | 207 | 58.3 Ų | 58.3 | 90% | 0.9 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -67.8 | -29.1 | 177.8 | -66.4 | -176.9 | 180 | 178.8 | 0 | 112.9 | L127 | L127-K129 PolarHBondContact O-N 3.45Å; L127-K129 VanDerWaalsContact O-N 3.09Å |
| 130 | D | 97.8 | Very high | 98.2 | Very high | 92 Ų | 92 | 64 Ų | 64 | 49% | 0.492 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -100.3 | 6.5 | -176.9 | -59.2 | -54.6 | 0 | 0 | 0 | 112.3 | T92 L127 N128 K132 | T92-D130 WeakPolarHBondContact CA-O 3.49Å; T92-D130 HydrophobicContact CG2-CB 3.88Å; L127-D130 PolarHBondContact O-N 2.68Å; N128-D130 VanDerWaalsContact C-N 3.27Å; N128-D130 PolarHBondContact O-N 3.15Å; D130-K132 PolarHBondContact O-N 3.48Å |
| 131 | R | 98.4 | Very high | 98.1 | Very high | 65 Ų | 65 | 64.5 Ų | 64.5 | 25% | 0.245 | 31% | 0.306 | C | S | . | . | trans | -54.5 | 126.5 | -178.3 | -178.1 | 179.9 | -73.4 | -97.9 | 7.2 | 111.4 | L127 N128 V133 E151 | L127-R131 PolarHBondContact O-N 3.24Å; N128-R131 WeakPolarHBondContact O-CB 3.5Å; N128-R131 PolarHBondContact O-N 3.22Å; N128-R131 PolarHBondContact OD1-NE 3.05Å; N128-R131 PolarHBondContact OD1-NH2 3.21Å; R131-V133 VanDerWaalsContact CD-O 3.3Å; R131-V133 WeakPolarHBondContact CD-O 3.3Å; R131-V133 WeakPolarHBondContact CG-O 3.49Å; R131-V133 PolarHBondContact NH1-O 2.9Å; R131-V133 VanDerWaalsContact NH1-O 3.08Å; R131-E151 IonicContact CZ-OE1 2.92Å; R131-E151 IonicContact CZ-OE2 3.95Å; R131-E151 IonicContact NH1-OE1 3.81Å; R131-E151 PolarHBondContact NH1-OE1 3.27Å; R131-E151 IonicContact NH1-OE2 3.8Å; R131-E151 IonicContact NH2-OE1 2.71Å; R131-E151 PolarHBondContact NH2-OE1 2.99Å; R131-E151 IonicContact NH2-OE2 3.86Å; R131-E151 PolarHBondContact NH2-OE2 3.37Å | ||
| 132 | K | 98.5 | Very high | 98.1 | Very high | 132 Ų | 132 | 64.7 Ų | 64.7 | 57% | 0.574 | 31% | 0.307 | S | S | * | . | trans | -114.2 | -12.7 | 174.3 | -56.6 | -57.6 | 179.4 | -173.1 | 0 | 113.1 | L91 T92 R94 D130 | L91-K132 PolarHBondContact O-N 3.46Å; T92-K132 WeakPolarHBondContact O-CG 3.34Å; R94-K132 HydrophobicContact CB-CB 4.22Å; D130-K132 PolarHBondContact O-N 3.48Å | ||
| 133 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -122 | 116.9 | 176.6 | -171.9 | 0 | 0 | 0 | 0 | 109.1 | F89 L91 F97 R131 E137 A138 | F89-V133 HydrophobicContact CE2-CB 3.94Å; F89-V133 HydrophobicContact CE2-CG1 3.75Å; F89-V133 HydrophobicContact CE2-CG2 4.13Å; F89-V133 HydrophobicContact CZ-CG1 4.16Å; L91-V133 HydrophobicContact CD2-CB 4.34Å; L91-V133 PolarHBondContact O-N 3.29Å; L91-V133 VanDerWaalsContact O-N 3.15Å; F97-V133 HydrophobicContact CB-CG1 4.46Å; F97-V133 HydrophobicContact CB-CG2 3.78Å; F97-V133 HydrophobicContact CD1-CG1 4.14Å; F97-V133 HydrophobicContact CD1-CG2 4.4Å; F97-V133 HydrophobicContact CD2-CG1 3.89Å; F97-V133 HydrophobicContact CE1-CG1 4.3Å; F97-V133 HydrophobicContact CE2-CG1 4.06Å; F97-V133 HydrophobicContact CG-CG1 3.91Å; F97-V133 HydrophobicContact CG-CG2 4.07Å; F97-V133 HydrophobicContact CZ-CG1 4.25Å; R131-V133 VanDerWaalsContact CD-O 3.3Å; R131-V133 WeakPolarHBondContact CD-O 3.3Å; R131-V133 WeakPolarHBondContact CG-O 3.49Å; R131-V133 PolarHBondContact NH1-O 2.9Å; R131-V133 VanDerWaalsContact NH1-O 3.08Å; V133-E137 WeakPolarHBondContact CA-OE1 3.37Å; V133-E137 HydrophobicContact CG1-CG 3.59Å; V133-A138 HydrophobicContact CG1-CB 4.34Å |
| 134 | T | 98.4 | Very high | 98 | Very high | 71 Ų | 71 | 73.2 Ų | 73.2 | 44% | 0.436 | 36% | 0.361 | S | S | . | . | trans | -69.5 | 160.5 | 175.3 | 63.1 | 0 | 0 | 0 | 0 | 111 | E137 A138 | T134-E137 PolarHBondContact N-OE1 2.96Å; T134-E137 WeakPolarHBondContact O-CG 3.24Å; T134-E137 VanDerWaalsContact OG1-CG 3.28Å; T134-E137 WeakPolarHBondContact OG1-CG 3.34Å; T134-E137 PolarHBondContact OG1-N 3.45Å; T134-E137 PolarHBondContact OG1-OE1 3.47Å; T134-E137 VanDerWaalsContact OG1-OE1 3.04Å; T134-A138 PolarHBondContact O-N 2.72Å | ||
| 135 | R | 98.1 | Very high | 97.9 | Very high | 149 Ų | 149 | 72.5 Ų | 72.5 | 56% | 0.562 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.6 | -44.2 | 176 | -179.9 | 167.5 | 177.5 | 172.4 | -1.7 | 111.3 | E137 A138 E139 Y149 | R135-E137 PolarHBondContact O-N 2.87Å; R135-A138 PolarHBondContact O-N 3.05Å; R135-E139 HydrophobicContact CG-CG 4.17Å; R135-E139 IonicContact CZ-OE1 2.73Å; R135-E139 IonicContact NE-OE1 3.88Å; R135-E139 PolarHBondContact NE-OE1 3.08Å; R135-E139 IonicContact NH2-OE1 2.67Å; R135-E139 PolarHBondContact NH2-OE1 3.15Å; R135-E139 WeakPolarHBondContact O-CB 3.41Å; R135-E139 WeakPolarHBondContact O-CG 3.46Å; R135-E139 PolarHBondContact O-N 2.96Å; R135-Y149 HydrophobicContact CG-CE1 4.28Å |
| 136 | D | 98.5 | Very high | 97.7 | Very high | 122 Ų | 122 | 75.1 Ų | 75.1 | 65% | 0.652 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.3 | -43.7 | -176.4 | -60.8 | -6.3 | 0 | 0 | 0 | 112.3 | A138 E139 Q140 | D136-A138 PolarHBondContact O-N 3.22Å; D136-E139 PolarHBondContact O-N 3.12Å; D136-Q140 WeakPolarHBondContact O-CB 3.48Å; D136-Q140 PolarHBondContact O-N 3.39Å |
| 137 | E | 98 | Very high | 97.7 | Very high | 38 Ų | 38 | 74.2 Ų | 74.2 | 18% | 0.178 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.3 | -33.1 | 179.2 | 74.1 | -171.2 | 128.5 | 0 | 0 | 112.9 | R94 F97 V133 T134 R135 Q140 L141 | R94-E137 IonicContact CZ-OE2 3.34Å; R94-E137 IonicContact NH1-OE1 2.7Å; R94-E137 PolarHBondContact NH1-OE1 3.21Å; R94-E137 IonicContact NH1-OE2 3.93Å; R94-E137 PolarHBondContact NH1-OE2 3.37Å; R94-E137 IonicContact NH2-OE2 3.67Å; R94-E137 PolarHBondContact NH2-OE2 3.44Å; F97-E137 HydrophobicContact CE1-CG 4.29Å; F97-E137 HydrophobicContact CZ-CG 4.19Å; V133-E137 WeakPolarHBondContact CA-OE1 3.37Å; V133-E137 HydrophobicContact CG1-CG 3.59Å; T134-E137 PolarHBondContact N-OE1 2.96Å; T134-E137 WeakPolarHBondContact O-CG 3.24Å; T134-E137 VanDerWaalsContact OG1-CG 3.28Å; T134-E137 WeakPolarHBondContact OG1-CG 3.34Å; T134-E137 PolarHBondContact OG1-N 3.45Å; T134-E137 PolarHBondContact OG1-OE1 3.47Å; T134-E137 VanDerWaalsContact OG1-OE1 3.04Å; R135-E137 PolarHBondContact O-N 2.87Å; E137-Q140 PolarHBondContact O-N 3.35Å; E137-L141 PolarHBondContact O-N 3.02Å |
| 138 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -72.7 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F89 F97 L120 V133 T134 R135 D136 L141 A142 Y149 | F89-A138 HydrophobicContact CE1-CB 4.49Å; F89-A138 HydrophobicContact CZ-CB 3.88Å; F97-A138 HydrophobicContact CE2-CB 4.02Å; L120-A138 WeakPolarHBondContact CD2-O 3.48Å; V133-A138 HydrophobicContact CG1-CB 4.34Å; T134-A138 PolarHBondContact O-N 2.72Å; R135-A138 PolarHBondContact O-N 3.05Å; D136-A138 PolarHBondContact O-N 3.22Å; A138-L141 PolarHBondContact O-N 3.45Å; A138-A142 WeakPolarHBondContact O-CB 3.27Å; A138-A142 PolarHBondContact O-N 3.42Å; A138-Y149 HydrophobicContact CB-CD1 4.33Å; A138-Y149 HydrophobicContact CB-CD2 4.17Å; A138-Y149 HydrophobicContact CB-CE1 3.76Å; A138-Y149 HydrophobicContact CB-CE2 3.6Å; A138-Y149 HydrophobicContact CB-CG 4.49Å; A138-Y149 WeakPolarHBondContact CB-OH 3.45Å |
| 139 | E | 98.6 | Very high | 97.9 | Very high | 74 Ų | 74 | 73.7 Ų | 73.7 | 35% | 0.346 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 171.2 | -73.8 | -178.4 | 170 | 0 | 0 | 111.3 | R135 D136 A142 A143 Y149 | R135-E139 HydrophobicContact CG-CG 4.17Å; R135-E139 IonicContact CZ-OE1 2.73Å; R135-E139 IonicContact NE-OE1 3.88Å; R135-E139 PolarHBondContact NE-OE1 3.08Å; R135-E139 IonicContact NH2-OE1 2.67Å; R135-E139 PolarHBondContact NH2-OE1 3.15Å; R135-E139 WeakPolarHBondContact O-CB 3.41Å; R135-E139 WeakPolarHBondContact O-CG 3.46Å; R135-E139 PolarHBondContact O-N 2.96Å; D136-E139 PolarHBondContact O-N 3.12Å; E139-A142 PolarHBondContact O-N 3.2Å; E139-A143 WeakPolarHBondContact O-CB 3.5Å; E139-A143 PolarHBondContact O-N 3Å; E139-Y149 HydrophobicContact CG-CD1 3.58Å; E139-Y149 HydrophobicContact CG-CE1 4.24Å; E139-Y149 HydrophobicContact CG-CG 4.41Å |
| 140 | Q | 98.6 | Very high | 98 | Very high | 118 Ų | 118 | 64.5 Ų | 64.5 | 55% | 0.551 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.2 | -48.6 | 174 | -178.2 | 177.2 | -0.1 | 0 | 0 | 111.6 | D136 E137 A142 A143 E144 | D136-Q140 WeakPolarHBondContact O-CB 3.48Å; D136-Q140 PolarHBondContact O-N 3.39Å; E137-Q140 PolarHBondContact O-N 3.35Å; Q140-A142 VanDerWaalsContact C-N 3.32Å; Q140-A142 PolarHBondContact O-N 3.42Å; Q140-A143 PolarHBondContact O-N 3.5Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.26Å; Q140-E144 PolarHBondContact NE2-OE1 3.45Å; Q140-E144 VanDerWaalsContact NE2-OE1 3.1Å; Q140-E144 WeakPolarHBondContact O-CG 3.24Å; Q140-E144 PolarHBondContact O-N 2.79Å |
| 141 | L | 98.4 | Very high | 98 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 176.4 | 175.4 | 62 | 0 | 0 | 0 | 111.5 | F97 V100 R101 L120 E137 A138 A143 E144 M145 | F97-L141 HydrophobicContact CD2-CD2 4.02Å; F97-L141 HydrophobicContact CE1-CD2 4.38Å; F97-L141 HydrophobicContact CE2-CB 4.11Å; F97-L141 HydrophobicContact CE2-CD2 3.34Å; F97-L141 HydrophobicContact CE2-CG 4.34Å; F97-L141 HydrophobicContact CZ-CB 3.83Å; F97-L141 HydrophobicContact CZ-CD2 3.56Å; F97-L141 HydrophobicContact CZ-CG 4.32Å; V100-L141 HydrophobicContact CB-CD2 4.16Å; V100-L141 HydrophobicContact CG1-CD2 3.99Å; R101-L141 HydrophobicContact CG-CD1 4.08Å; L120-L141 HydrophobicContact CD2-CB 4.44Å; L120-L141 HydrophobicContact CD2-CD2 4.13Å; L120-L141 HydrophobicContact CD2-CG 4.28Å; E137-L141 PolarHBondContact O-N 3.02Å; A138-L141 PolarHBondContact O-N 3.45Å; L141-A143 VanDerWaalsContact C-N 3.34Å; L141-A143 PolarHBondContact O-N 3.48Å; L141-E144 PolarHBondContact O-N 2.86Å; L141-M145 HydrophobicContact CD1-CG 4.23Å; L141-M145 HydrophobicContact CD1-SD 3.82Å; L141-M145 HydrophobicContact CG-SD 3.96Å; L141-M145 WeakPolarHBondContact O-CG 3.48Å; L141-M145 PolarHBondContact O-N 2.81Å |
| 142 | A | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | L120 A138 E139 Q140 M145 G146 I147 | L120-A142 HydrophobicContact CB-CB 4.35Å; L120-A142 HydrophobicContact CD2-CB 3.98Å; A138-A142 WeakPolarHBondContact O-CB 3.27Å; A138-A142 PolarHBondContact O-N 3.42Å; E139-A142 PolarHBondContact O-N 3.2Å; Q140-A142 VanDerWaalsContact C-N 3.32Å; Q140-A142 PolarHBondContact O-N 3.42Å; A142-M145 CarbonylContact O-C 3.52Å; A142-M145 PolarHBondContact O-N 2.86Å; A142-G146 PolarHBondContact O-N 3.21Å; A142-I147 CarbonylContact C-O 3.42Å; A142-I147 HydrophobicContact CB-CG1 4.22Å; A142-I147 WeakPolarHBondContact CB-O 3.27Å; A142-I147 PolarHBondContact O-N 3.34Å |
| 143 | A | 98 | Very high | 98 | Very high | 76 Ų | 76 | 52.3 Ų | 52.3 | 63% | 0.628 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E139 Q140 L141 M145 G146 | E139-A143 WeakPolarHBondContact O-CB 3.5Å; E139-A143 PolarHBondContact O-N 3Å; Q140-A143 PolarHBondContact O-N 3.5Å; L141-A143 VanDerWaalsContact C-N 3.34Å; L141-A143 PolarHBondContact O-N 3.48Å; A143-M145 PolarHBondContact O-N 2.63Å; A143-G146 PolarHBondContact O-N 2.95Å |
| 144 | E | 97.3 | Very high | 98 | Very high | 109 Ų | 109 | 52.4 Ų | 52.4 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.1 | -30.7 | 175.9 | -71.6 | 174.7 | -164 | 0 | 0 | 112.8 | R101 Q140 L141 | R101-E144 IonicContact CZ-OE2 3.85Å; R101-E144 IonicContact NH2-OE2 3.45Å; R101-E144 PolarHBondContact NH2-OE2 2.98Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.26Å; Q140-E144 PolarHBondContact NE2-OE1 3.45Å; Q140-E144 VanDerWaalsContact NE2-OE1 3.1Å; Q140-E144 WeakPolarHBondContact O-CG 3.24Å; Q140-E144 PolarHBondContact O-N 2.79Å; L141-E144 PolarHBondContact O-N 2.86Å |
| 145 | M | 95.3 | Very high | 97.9 | Very high | 34 Ų | 34 | 53.7 Ų | 53.7 | 17% | 0.167 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -85.9 | -9.1 | 175.3 | -68.2 | 177.7 | 68.9 | 0 | 0 | 113.2 | L87 V100 H104 L141 A142 A143 I147 | L87-M145 HydrophobicContact CD1-CE 3.71Å; V100-M145 HydrophobicContact CG1-SD 4.25Å; H104-M145 HydrophobicContact CB-CE 3.61Å; H104-M145 VanDerWaalsContact CG-CE 3.43Å; L141-M145 HydrophobicContact CD1-CG 4.23Å; L141-M145 HydrophobicContact CD1-SD 3.82Å; L141-M145 HydrophobicContact CG-SD 3.96Å; L141-M145 WeakPolarHBondContact O-CG 3.48Å; L141-M145 PolarHBondContact O-N 2.81Å; A142-M145 CarbonylContact O-C 3.52Å; A142-M145 PolarHBondContact O-N 2.86Å; A143-M145 PolarHBondContact O-N 2.63Å; M145-I147 VanDerWaalsContact C-N 3.34Å; M145-I147 HydrophobicContact CB-CD1 4.04Å; M145-I147 HydrophobicContact CB-CG1 3.87Å; M145-I147 HydrophobicContact CB-CG2 4.47Å; M145-I147 HydrophobicContact CE-CD1 3.88Å; M145-I147 HydrophobicContact SD-CD1 4.17Å |
| 146 | G | 95.8 | Very high | 97.9 | Very high | 70 Ų | 70 | 50.7 Ų | 50.7 | 72% | 0.722 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 28 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A142 A143 | A142-G146 PolarHBondContact O-N 3.21Å; A143-G146 PolarHBondContact O-N 2.95Å |
| 147 | I | 96.9 | Very high | 97.8 | Very high | 28 Ų | 28 | 48.6 Ų | 48.6 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | trans | -122.5 | 163 | -175.4 | 66.1 | 177.7 | 0 | 0 | 0 | 111.1 | L87 L120 A142 M145 | L87-I147 HydrophobicContact CD1-CD1 3.99Å; L120-I147 HydrophobicContact CB-CD1 3.85Å; L120-I147 HydrophobicContact CB-CG1 4.36Å; A142-I147 CarbonylContact C-O 3.42Å; A142-I147 HydrophobicContact CB-CG1 4.22Å; A142-I147 WeakPolarHBondContact CB-O 3.27Å; A142-I147 PolarHBondContact O-N 3.34Å; M145-I147 VanDerWaalsContact C-N 3.34Å; M145-I147 HydrophobicContact CB-CD1 4.04Å; M145-I147 HydrophobicContact CB-CG1 3.87Å; M145-I147 HydrophobicContact CB-CG2 4.47Å; M145-I147 HydrophobicContact CE-CD1 3.88Å; M145-I147 HydrophobicContact SD-CD1 4.17Å | ||
| 148 | R | 97.6 | Very high | 97.9 | Very high | 112 Ų | 112 | 49.1 Ų | 49.1 | 42% | 0.423 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 155.2 | 175.2 | -59.2 | -172.7 | -162.8 | -144.9 | -2.1 | 111.3 | I119 L120 L166 D170 | I119-R148 HydrophobicContact CD1-CB 4.47Å; I119-R148 HydrophobicContact CG1-CB 4.29Å; I119-R148 HydrophobicContact CG2-CB 4.41Å; L120-R148 PolarHBondContact N-O 2.95Å; R148-L166 VanDerWaalsContact NH1-CD2 3.26Å; R148-D170 IonicContact CZ-OD1 2.82Å; R148-D170 IonicContact CZ-OD2 3.43Å; R148-D170 VanDerWaalsContact CZ-OD2 3.26Å; R148-D170 IonicContact NE-OD1 2.6Å; R148-D170 PolarHBondContact NE-OD1 3.12Å; R148-D170 IonicContact NE-OD2 3.34Å; R148-D170 PolarHBondContact NE-OD2 3.47Å; R148-D170 IonicContact NH1-OD1 3.07Å; R148-D170 VanDerWaalsContact NH2-CG 3.32Å; R148-D170 IonicContact NH2-OD1 3.26Å; R148-D170 PolarHBondContact NH2-OD1 2.97Å; R148-D170 IonicContact NH2-OD2 3.34Å; R148-D170 PolarHBondContact NH2-OD2 3.06Å |
| 149 | Y | 98.7 | Very high | 97.9 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 14% | 0.141 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 137.6 | 170.8 | 177.9 | -121.3 | 0 | 0 | 0 | 111.6 | F89 L120 R135 A138 E139 E151 | F89-Y149 AromaticContact CE1-CE2 3.85Å; F89-Y149 HydrophobicContact CE1-CE2 3.85Å; F89-Y149 AromaticContact CZ-CE2 3.92Å; F89-Y149 HydrophobicContact CZ-CE2 3.92Å; L120-Y149 HydrophobicContact CB-CD2 4.05Å; L120-Y149 HydrophobicContact CD2-CD2 3.84Å; L120-Y149 HydrophobicContact CD2-CE2 4.34Å; L120-Y149 HydrophobicContact CG-CD2 3.78Å; L120-Y149 HydrophobicContact CG-CE2 4.27Å; L120-Y149 CarbonylContact O-C 3.49Å; L120-Y149 WeakPolarHBondContact O-CA 3.43Å; L120-Y149 WeakPolarHBondContact O-CD2 3.48Å; R135-Y149 HydrophobicContact CG-CE1 4.28Å; A138-Y149 HydrophobicContact CB-CD1 4.33Å; A138-Y149 HydrophobicContact CB-CD2 4.17Å; A138-Y149 HydrophobicContact CB-CE1 3.76Å; A138-Y149 HydrophobicContact CB-CE2 3.6Å; A138-Y149 HydrophobicContact CB-CG 4.49Å; A138-Y149 WeakPolarHBondContact CB-OH 3.45Å; E139-Y149 HydrophobicContact CG-CD1 3.58Å; E139-Y149 HydrophobicContact CG-CE1 4.24Å; E139-Y149 HydrophobicContact CG-CG 4.41Å; Y149-E151 HydrophobicContact CE1-CG 3.76Å; Y149-E151 WeakPolarHBondContact OH-CG 3.49Å; Y149-E151 PolarHBondContact OH-OE1 3.2Å |
| 150 | V | 98.7 | Very high | 97.8 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 127.8 | 173.9 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | I119 L120 I121 G122 T152 N159 A163 L166 | I119-V150 HydrophobicContact CG2-CG2 4.04Å; L120-V150 PolarHBondContact O-N 3.07Å; I121-V150 WeakPolarHBondContact CA-O 3.31Å; I121-V150 HydrophobicContact CD1-CB 3.97Å; G122-V150 PolarHBondContact N-O 3.12Å; V150-T152 HydrophobicContact CG1-CG2 3.93Å; V150-N159 HydrophobicContact CG1-CB 3.86Å; V150-A163 HydrophobicContact CG1-CB 4.39Å; V150-L166 HydrophobicContact CG2-CD1 3.76Å |
| 151 | E | 98.8 | Very high | 97.8 | Very high | 33 Ų | 33 | 46 Ų | 46 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 132.4 | 166.2 | -71.7 | -166.9 | -177.8 | 0 | 0 | 110.8 | L91 G122 R131 Y149 N159 | L91-E151 HydrophobicContact CD1-CG 4.08Å; G122-E151 CarbonylContact O-C 3.52Å; G122-E151 VanDerWaalsContact O-CA 3.24Å; G122-E151 WeakPolarHBondContact O-CA 3.37Å; R131-E151 IonicContact CZ-OE1 2.92Å; R131-E151 IonicContact CZ-OE2 3.95Å; R131-E151 IonicContact NH1-OE1 3.81Å; R131-E151 PolarHBondContact NH1-OE1 3.27Å; R131-E151 IonicContact NH1-OE2 3.8Å; R131-E151 IonicContact NH2-OE1 2.71Å; R131-E151 PolarHBondContact NH2-OE1 2.99Å; R131-E151 IonicContact NH2-OE2 3.86Å; R131-E151 PolarHBondContact NH2-OE2 3.37Å; Y149-E151 HydrophobicContact CE1-CG 3.76Å; Y149-E151 WeakPolarHBondContact OH-CG 3.49Å; Y149-E151 PolarHBondContact OH-OE1 3.2Å; E151-N159 WeakPolarHBondContact O-CB 3.34Å; E151-N159 PolarHBondContact O-ND2 2.9Å |
| 152 | T | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -130.3 | 157.7 | -177 | 59.9 | 0 | 0 | 0 | 0 | 112.3 | I121 G122 H123 K124 S125 V150 S158 N159 A163 | I121-T152 HydrophobicContact CD1-CG2 4.46Å; I121-T152 HydrophobicContact CG2-CG2 3.93Å; I121-T152 WeakPolarHBondContact CG2-OG1 3.31Å; G122-T152 PolarHBondContact O-N 2.78Å; H123-T152 CarbonylContact C-O 3.52Å; H123-T152 PolarHBondContact ND1-OG1 2.94Å; K124-T152 PolarHBondContact N-O 3.46Å; K124-T152 VanDerWaalsContact N-O 3.12Å; S125-T152 PolarHBondContact N-O 3.14Å; S125-T152 PolarHBondContact OG-O 2.97Å; V150-T152 HydrophobicContact CG1-CG2 3.93Å; T152-S158 WeakPolarHBondContact CA-O 3.41Å; T152-N159 HydrophobicContact CG2-CB 4.12Å; T152-A163 HydrophobicContact CG2-CB 4.1Å | ||
| 153 | S | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -140 | 116.4 | 168.3 | 172.2 | 0 | 0 | 0 | 0 | 109.6 | D126 K155 C156 N157 S158 V160 | D126-S153 VanDerWaalsContact CG-OG 3.25Å; D126-S153 VanDerWaalsContact OD1-CB 3.26Å; D126-S153 WeakPolarHBondContact OD1-CB 3.36Å; D126-S153 PolarHBondContact OD1-OG 2.89Å; S153-K155 VanDerWaalsContact C-N 3.28Å; S153-K155 PolarHBondContact OG-N 3.02Å; S153-C156 PolarHBondContact OG-N 2.57Å; S153-N157 CarbonylContact O-C 3.4Å; S153-N157 VanDerWaalsContact O-CA 3.27Å; S153-N157 WeakPolarHBondContact O-CA 3.09Å; S153-N157 PolarHBondContact O-N 3.26Å; S153-S158 PolarHBondContact N-O 2.96Å; S153-S158 PolarHBondContact O-N 3.33Å; S153-V160 WeakPolarHBondContact O-CG2 3.33Å |
| 154 | A | 97.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -32.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S23 R27 Y33 H123 | S23-A154 WeakPolarHBondContact O-CB 3.33Å; R27-A154 HydrophobicContact CB-CB 4.08Å; R27-A154 VanDerWaalsContact CZ-O 3.31Å; R27-A154 PolarHBondContact NE-O 3Å; R27-A154 PolarHBondContact NH2-O 3.33Å; Y33-A154 HydrophobicContact CD2-CB 3.86Å; Y33-A154 HydrophobicContact CE2-CB 4.35Å; H123-A154 PolarHBondContact CE1-N 2.97Å; H123-A154 VanDerWaalsContact CE1-N 3.27Å |
| 155 | K | 97.3 | Very high | 97.7 | Very high | 98 Ų | 98 | 44.6 Ų | 44.6 | 43% | 0.426 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -51.8 | 179.3 | -174.3 | 171.7 | -174.2 | 164.1 | 0 | 111.7 | R27 Y33 D35 D126 S153 N157 | R27-K155 PolarHBondContact NH2-O 3Å; R27-K155 VanDerWaalsContact NH2-O 3.16Å; Y33-K155 HydrophobicContact CD1-CB 4.38Å; Y33-K155 HydrophobicContact CD1-CG 4.26Å; Y33-K155 HydrophobicContact CD2-CB 4.32Å; Y33-K155 HydrophobicContact CE1-CB 4.02Å; Y33-K155 HydrophobicContact CE1-CD 4.24Å; Y33-K155 HydrophobicContact CE1-CG 3.79Å; Y33-K155 HydrophobicContact CE2-CB 3.93Å; D35-K155 IonicContact OD1-NZ 2.6Å; D126-K155 WeakPolarHBondContact OD2-CD 3.5Å; S153-K155 VanDerWaalsContact C-N 3.28Å; S153-K155 PolarHBondContact OG-N 3.02Å; K155-N157 VanDerWaalsContact C-N 3.34Å |
| 156 | C | 96.9 | Very high | 97.8 | Very high | 87 Ų | 87 | 43.6 Ų | 43.6 | 59% | 0.588 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 2.2 | -178.4 | -63.8 | 0 | 0 | 0 | 0 | 113.9 | D126 S153 S158 | D126-C156 VanDerWaalsContact CB-SG 3.58Å; S153-C156 PolarHBondContact OG-N 2.57Å; C156-S158 PolarHBondContact O-N 2.98Å |
| 157 | N | 97.7 | Very high | 97.9 | Very high | 78 Ų | 78 | 40.3 Ų | 40.3 | 42% | 0.417 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 37.7 | -171.4 | -164.3 | 35.8 | 0 | 0 | 0 | 113.3 | R27 S153 K155 | R27-N157 WeakPolarHBondContact CD-OD1 3.32Å; R27-N157 HydrophobicContact CG-CB 4.49Å; R27-N157 WeakPolarHBondContact CG-OD1 3.31Å; S153-N157 CarbonylContact O-C 3.4Å; S153-N157 VanDerWaalsContact O-CA 3.27Å; S153-N157 WeakPolarHBondContact O-CA 3.09Å; S153-N157 PolarHBondContact O-N 3.26Å; K155-N157 VanDerWaalsContact C-N 3.34Å |
| 158 | S | 98.4 | Very high | 98 | Very high | 48 Ų | 48 | 39 Ų | 39 | 34% | 0.336 | 19% | 0.192 | S | C | . | . | B | Isolated β-bridge | trans | -90.1 | 126.5 | -178.7 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | T152 S153 C156 V160 | T152-S158 WeakPolarHBondContact CA-O 3.41Å; S153-S158 PolarHBondContact N-O 2.96Å; S153-S158 PolarHBondContact O-N 3.33Å; C156-S158 PolarHBondContact O-N 2.98Å; S158-V160 PolarHBondContact O-N 3.16Å |
| 159 | N | 98.4 | Very high | 97.9 | Very high | 78 Ų | 78 | 38.7 Ų | 38.7 | 42% | 0.417 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 54.6 | 13.8 | 177.5 | -65.3 | -35.9 | 0 | 0 | 0 | 116.2 | V150 E151 T152 R162 A163 | V150-N159 HydrophobicContact CG1-CB 3.86Å; E151-N159 WeakPolarHBondContact O-CB 3.34Å; E151-N159 PolarHBondContact O-ND2 2.9Å; T152-N159 HydrophobicContact CG2-CB 4.12Å; N159-R162 HydrophobicContact CB-CB 4.38Å; N159-R162 PolarHBondContact O-N 2.86Å; N159-A163 PolarHBondContact O-N 3.28Å |
| 160 | V | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -61.5 | -178.3 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | L24 R27 F28 S153 S158 R162 A163 F164 | L24-V160 HydrophobicContact CD1-CB 4.31Å; L24-V160 HydrophobicContact CD1-CG1 3.88Å; L24-V160 HydrophobicContact CD1-CG2 3.89Å; R27-V160 HydrophobicContact CB-CG1 4.39Å; R27-V160 HydrophobicContact CG-CB 4.35Å; R27-V160 HydrophobicContact CG-CG1 4.06Å; R27-V160 HydrophobicContact CG-CG2 3.97Å; F28-V160 HydrophobicContact CB-CG1 3.71Å; F28-V160 HydrophobicContact CD2-CG1 4.33Å; S153-V160 WeakPolarHBondContact O-CG2 3.33Å; S158-V160 PolarHBondContact O-N 3.16Å; V160-R162 PolarHBondContact O-N 2.67Å; V160-A163 PolarHBondContact O-N 3.44Å; V160-F164 HydrophobicContact CG1-CE2 4.33Å; V160-F164 VanDerWaalsContact O-CD2 3.3Å; V160-F164 WeakPolarHBondContact O-CD2 3.47Å |
| 161 | D | 97.3 | Very high | 97.7 | Very high | 47 Ų | 47 | 37.7 Ų | 37.7 | 25% | 0.251 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.5 | -36.9 | 176.5 | -66.4 | -94 | 0 | 0 | 0 | 112.4 | R48 A163 F164 Q165 | R48-D161 IonicContact CZ-OD1 2.62Å; R48-D161 IonicContact NH1-OD1 2.94Å; R48-D161 PolarHBondContact NH1-OD1 2.99Å; R48-D161 IonicContact NH2-OD1 3.1Å; R48-D161 PolarHBondContact NH2-OD1 2.77Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 3.29Å; D161-F164 PolarHBondContact O-N 3.2Å; D161-Q165 WeakPolarHBondContact O-CB 3.41Å; D161-Q165 VanDerWaalsContact O-CG 3.24Å; D161-Q165 WeakPolarHBondContact O-CG 3.25Å; D161-Q165 PolarHBondContact O-N 3.37Å |
| 162 | R | 97.6 | Very high | 97.6 | Very high | 106 Ų | 106 | 37.1 Ų | 37.1 | 40% | 0.4 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.1 | -42.2 | -179.3 | 179.4 | 57.1 | 176.1 | 163.7 | -1.4 | 112 | N159 V160 Q165 L166 | N159-R162 HydrophobicContact CB-CB 4.38Å; N159-R162 PolarHBondContact O-N 2.86Å; V160-R162 PolarHBondContact O-N 2.67Å; R162-Q165 PolarHBondContact O-N 3.18Å; R162-L166 HydrophobicContact CG-CD1 4.09Å; R162-L166 HydrophobicContact CG-CG 4.44Å; R162-L166 WeakPolarHBondContact O-CB 3.38Å; R162-L166 VanDerWaalsContact O-CG 3.29Å; R162-L166 WeakPolarHBondContact O-CG 3.21Å; R162-L166 PolarHBondContact O-N 3.5Å |
| 163 | A | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I121 V150 T152 N159 V160 D161 L166 L167 | I121-A163 HydrophobicContact CD1-CB 3.72Å; V150-A163 HydrophobicContact CG1-CB 4.39Å; T152-A163 HydrophobicContact CG2-CB 4.1Å; N159-A163 PolarHBondContact O-N 3.28Å; V160-A163 PolarHBondContact O-N 3.44Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 3.29Å; A163-L166 PolarHBondContact O-N 3.25Å; A163-L167 PolarHBondContact O-N 2.9Å; A163-L167 VanDerWaalsContact O-N 3.16Å |
| 164 | F | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.1 | -37.3 | 179.5 | -67.9 | -87.7 | 0 | 0 | 0 | 112.5 | L13 L24 L25 F28 L60 L62 L86 V160 D161 S168 | L13-F164 HydrophobicContact CD1-CE1 4.45Å; L24-F164 HydrophobicContact CD1-CE2 4.43Å; L24-F164 HydrophobicContact CG-CE2 4.17Å; L24-F164 HydrophobicContact CG-CZ 4.36Å; L25-F164 HydrophobicContact CD2-CE1 4.01Å; L25-F164 HydrophobicContact CD2-CZ 3.91Å; F28-F164 HydrophobicContact CB-CD2 3.94Å; F28-F164 HydrophobicContact CB-CE2 3.57Å; F28-F164 HydrophobicContact CB-CZ 4.11Å; F28-F164 AromaticContact CD1-CD1 4Å; F28-F164 HydrophobicContact CD1-CD1 4Å; F28-F164 AromaticContact CD1-CD2 3.88Å; F28-F164 HydrophobicContact CD1-CD2 3.88Å; F28-F164 HydrophobicContact CD1-CE1 4.08Å; F28-F164 AromaticContact CD1-CE2 4Å; F28-F164 HydrophobicContact CD1-CE2 4Å; F28-F164 AromaticContact CD1-CG 3.9Å; F28-F164 HydrophobicContact CD1-CG 3.9Å; F28-F164 HydrophobicContact CD1-CZ 4.09Å; F28-F164 HydrophobicContact CD2-CB 4.08Å; F28-F164 AromaticContact CD2-CD2 3.35Å; F28-F164 HydrophobicContact CD2-CD2 3.35Å; F28-F164 AromaticContact CD2-CE2 3.93Å; F28-F164 HydrophobicContact CD2-CE2 3.93Å; F28-F164 AromaticContact CD2-CG 3.81Å; F28-F164 HydrophobicContact CD2-CG 3.81Å; F28-F164 HydrophobicContact CE1-CB 4.09Å; F28-F164 AromaticContact CE1-CD1 3.9Å; F28-F164 HydrophobicContact CE1-CD1 3.9Å; F28-F164 HydrophobicContact CE1-CD2 4.22Å; F28-F164 HydrophobicContact CE1-CE1 4.4Å; F28-F164 AromaticContact CE1-CG 3.81Å; F28-F164 HydrophobicContact CE1-CG 3.81Å; F28-F164 HydrophobicContact CE2-CB 3.52Å; F28-F164 AromaticContact CE2-CD2 3.75Å; F28-F164 HydrophobicContact CE2-CD2 3.75Å; F28-F164 AromaticContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CG-CD1 4.39Å; F28-F164 AromaticContact CG-CD2 3.43Å; F28-F164 HydrophobicContact CG-CD2 3.43Å; F28-F164 VanDerWaalsContact CG-CD2 3.43Å; F28-F164 HydrophobicContact CG-CE1 4.47Å; F28-F164 AromaticContact CG-CE2 3.56Å; F28-F164 HydrophobicContact CG-CE2 3.56Å; F28-F164 AromaticContact CG-CG 3.9Å; F28-F164 HydrophobicContact CG-CG 3.9Å; F28-F164 HydrophobicContact CG-CZ 4.09Å; F28-F164 HydrophobicContact CZ-CB 3.53Å; F28-F164 HydrophobicContact CZ-CD1 4.24Å; F28-F164 HydrophobicContact CZ-CD2 4.17Å; F28-F164 AromaticContact CZ-CG 3.73Å; F28-F164 HydrophobicContact CZ-CG 3.73Å; L60-F164 HydrophobicContact CD1-CB 4.31Å; L60-F164 HydrophobicContact CD1-CD1 4.26Å; L62-F164 HydrophobicContact CD1-CE1 4.5Å; L62-F164 HydrophobicContact CD2-CD1 4.07Å; L62-F164 HydrophobicContact CD2-CE1 3.91Å; L86-F164 HydrophobicContact CD1-CD1 3.98Å; L86-F164 HydrophobicContact CD1-CE1 3.44Å; L86-F164 VanDerWaalsContact CD1-CE1 3.44Å; L86-F164 HydrophobicContact CD1-CE2 4.28Å; L86-F164 HydrophobicContact CD1-CZ 3.6Å; V160-F164 HydrophobicContact CG1-CE2 4.33Å; V160-F164 VanDerWaalsContact O-CD2 3.3Å; V160-F164 WeakPolarHBondContact O-CD2 3.47Å; D161-F164 PolarHBondContact O-N 3.2Å; F164-S168 WeakPolarHBondContact O-CB 3.27Å; F164-S168 PolarHBondContact O-N 2.92Å; F164-S168 PolarHBondContact O-OG 3.4Å |
| 165 | Q | 97.1 | Very high | 97.1 | Very high | 65 Ų | 65 | 43.8 Ų | 43.8 | 30% | 0.304 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.9 | -42.1 | 174.9 | -75.7 | 175.1 | 2.7 | 0 | 0 | 112.2 | D161 R162 S168 R169 | D161-Q165 WeakPolarHBondContact O-CB 3.41Å; D161-Q165 VanDerWaalsContact O-CG 3.24Å; D161-Q165 WeakPolarHBondContact O-CG 3.25Å; D161-Q165 PolarHBondContact O-N 3.37Å; R162-Q165 PolarHBondContact O-N 3.18Å; Q165-S168 PolarHBondContact O-N 3.31Å; Q165-R169 WeakPolarHBondContact O-CB 3.36Å; Q165-R169 WeakPolarHBondContact O-CG 3.3Å; Q165-R169 PolarHBondContact O-N 3.48Å |
| 166 | L | 97.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.6 | -50.3 | 176.9 | -82.1 | 175.7 | 0 | 0 | 0 | 111.3 | I119 R148 V150 R162 A163 S168 R169 D170 | I119-L166 HydrophobicContact CD1-CB 3.56Å; R148-L166 VanDerWaalsContact NH1-CD2 3.26Å; V150-L166 HydrophobicContact CG2-CD1 3.76Å; R162-L166 HydrophobicContact CG-CD1 4.09Å; R162-L166 HydrophobicContact CG-CG 4.44Å; R162-L166 WeakPolarHBondContact O-CB 3.38Å; R162-L166 VanDerWaalsContact O-CG 3.29Å; R162-L166 WeakPolarHBondContact O-CG 3.21Å; R162-L166 PolarHBondContact O-N 3.5Å; A163-L166 PolarHBondContact O-N 3.25Å; L166-S168 VanDerWaalsContact C-N 3.32Å; L166-S168 PolarHBondContact O-N 3.08Å; L166-R169 PolarHBondContact O-N 3.19Å; L166-D170 VanDerWaalsContact O-CG 3.27Å; L166-D170 PolarHBondContact O-N 2.79Å |
| 167 | L | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 179 | 178.1 | 58.4 | 0 | 0 | 0 | 111.3 | I11 L86 V117 I119 A163 R169 D170 I171 | I11-L167 HydrophobicContact CD1-CD2 3.94Å; I11-L167 HydrophobicContact CD1-CG 4.32Å; I11-L167 HydrophobicContact CG1-CD2 4.49Å; I11-L167 HydrophobicContact CG2-CD2 3.6Å; L86-L167 HydrophobicContact CD2-CD2 3.75Å; L86-L167 HydrophobicContact CG-CD2 4.08Å; V117-L167 HydrophobicContact CB-CD1 3.98Å; V117-L167 HydrophobicContact CG1-CD1 3.77Å; V117-L167 WeakPolarHBondContact O-CD1 2.86Å; I119-L167 HydrophobicContact CD1-CB 3.76Å; I119-L167 VanDerWaalsContact CD1-N 3.33Å; I119-L167 HydrophobicContact CG1-CB 4.23Å; I119-L167 HydrophobicContact CG1-CD1 4.35Å; A163-L167 PolarHBondContact O-N 2.9Å; A163-L167 VanDerWaalsContact O-N 3.16Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.96Å; L167-D170 PolarHBondContact O-N 2.73Å; L167-I171 HydrophobicContact CD1-CD1 3.91Å; L167-I171 HydrophobicContact CD1-CG1 4.28Å; L167-I171 HydrophobicContact CG-CD1 3.88Å; L167-I171 WeakPolarHBondContact O-CD1 3.44Å; L167-I171 WeakPolarHBondContact O-CG1 3.25Å; L167-I171 PolarHBondContact O-N 3.49Å |
| 168 | S | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -40 | -179.8 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | F9 F164 Q165 L166 Y172 | F9-S168 WeakPolarHBondContact CE2-O 3.44Å; F164-S168 WeakPolarHBondContact O-CB 3.27Å; F164-S168 PolarHBondContact O-N 2.92Å; F164-S168 PolarHBondContact O-OG 3.4Å; Q165-S168 PolarHBondContact O-N 3.31Å; L166-S168 VanDerWaalsContact C-N 3.32Å; L166-S168 PolarHBondContact O-N 3.08Å; S168-Y172 WeakPolarHBondContact O-CB 3.14Å; S168-Y172 PolarHBondContact O-N 3.17Å |
| 169 | R | 96.8 | Very high | 96.1 | Very high | 105 Ų | 105 | 48.7 Ų | 48.7 | 40% | 0.396 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.9 | -41.6 | 176.3 | -76.3 | 178.6 | 179.3 | 177.6 | 5 | 111.9 | I52 Q165 L166 L167 I171 Y172 E173 | I52-R169 HydrophobicContact CB-CG 4.2Å; I52-R169 HydrophobicContact CG2-CG 4.12Å; I52-R169 PolarHBondContact O-NE 3.34Å; I52-R169 PolarHBondContact O-NH2 3.3Å; Q165-R169 WeakPolarHBondContact O-CB 3.36Å; Q165-R169 WeakPolarHBondContact O-CG 3.3Å; Q165-R169 PolarHBondContact O-N 3.48Å; L166-R169 PolarHBondContact O-N 3.19Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.96Å; R169-I171 PolarHBondContact O-N 3.07Å; R169-Y172 PolarHBondContact O-N 3.16Å; R169-E173 WeakPolarHBondContact O-CG 3.35Å; R169-E173 PolarHBondContact O-N 2.82Å |
| 170 | D | 96.5 | Very high | 95.8 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 15% | 0.15 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 179.8 | -69.4 | 0.5 | 0 | 0 | 0 | 111.4 | V117 R148 L166 L167 Y172 E173 L174 | V117-D170 HydrophobicContact CG1-CB 3.92Å; R148-D170 IonicContact CZ-OD1 2.82Å; R148-D170 IonicContact CZ-OD2 3.43Å; R148-D170 VanDerWaalsContact CZ-OD2 3.26Å; R148-D170 IonicContact NE-OD1 2.6Å; R148-D170 PolarHBondContact NE-OD1 3.12Å; R148-D170 IonicContact NE-OD2 3.34Å; R148-D170 PolarHBondContact NE-OD2 3.47Å; R148-D170 IonicContact NH1-OD1 3.07Å; R148-D170 VanDerWaalsContact NH2-CG 3.32Å; R148-D170 IonicContact NH2-OD1 3.26Å; R148-D170 PolarHBondContact NH2-OD1 2.97Å; R148-D170 IonicContact NH2-OD2 3.34Å; R148-D170 PolarHBondContact NH2-OD2 3.06Å; L166-D170 VanDerWaalsContact O-CG 3.27Å; L166-D170 PolarHBondContact O-N 2.79Å; L167-D170 PolarHBondContact O-N 2.73Å; D170-Y172 VanDerWaalsContact C-N 3.33Å; D170-Y172 PolarHBondContact O-N 2.95Å; D170-E173 PolarHBondContact O-N 3.29Å; D170-L174 WeakPolarHBondContact O-CG 3.42Å; D170-L174 PolarHBondContact O-N 2.99Å; D170-L174 VanDerWaalsContact O-N 3.13Å |
| 171 | I | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.4 | -45.5 | 173.9 | -64 | 158.4 | 0 | 0 | 0 | 110.5 | F9 I11 V83 V117 L167 R169 L174 M175 I180 | F9-I171 HydrophobicContact CD1-CG2 4.14Å; F9-I171 HydrophobicContact CD2-CB 4.01Å; F9-I171 HydrophobicContact CD2-CD1 4.01Å; F9-I171 HydrophobicContact CD2-CG2 3.77Å; F9-I171 HydrophobicContact CE1-CG2 3.93Å; F9-I171 HydrophobicContact CE2-CB 3.68Å; F9-I171 HydrophobicContact CE2-CG2 3.46Å; F9-I171 VanDerWaalsContact CE2-CG2 3.46Å; F9-I171 HydrophobicContact CG-CG2 4.11Å; F9-I171 HydrophobicContact CZ-CB 4.24Å; F9-I171 HydrophobicContact CZ-CG2 3.58Å; I11-I171 HydrophobicContact CD1-CD1 3.66Å; V83-I171 HydrophobicContact CG1-CD1 4.04Å; V83-I171 HydrophobicContact CG1-CG2 4.21Å; V83-I171 HydrophobicContact CG2-CG1 4.44Å; V83-I171 HydrophobicContact CG2-CG2 3.77Å; V117-I171 HydrophobicContact CB-CG1 3.77Å; V117-I171 HydrophobicContact CG1-CG1 4.27Å; V117-I171 HydrophobicContact CG2-CG1 3.69Å; L167-I171 HydrophobicContact CD1-CD1 3.91Å; L167-I171 HydrophobicContact CD1-CG1 4.28Å; L167-I171 HydrophobicContact CG-CD1 3.88Å; L167-I171 WeakPolarHBondContact O-CD1 3.44Å; L167-I171 WeakPolarHBondContact O-CG1 3.25Å; L167-I171 PolarHBondContact O-N 3.49Å; R169-I171 PolarHBondContact O-N 3.07Å; I171-L174 PolarHBondContact O-N 2.97Å; I171-M175 WeakPolarHBondContact O-CG 3.21Å; I171-M175 PolarHBondContact O-N 2.66Å; I171-I180 HydrophobicContact CG2-CD1 4.37Å |
| 172 | Y | 95.9 | Very high | 95 | Very high | 22 Ų | 22 | 49.4 Ų | 49.4 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | -178.7 | -179.7 | -113.6 | 0 | 0 | 0 | 113.4 | Y7 I52 E53 I56 I58 S168 R169 D170 M175 K176 | Y7-Y172 HydrophobicContact CD2-CD2 4.25Å; Y7-Y172 HydrophobicContact CD2-CE2 4.06Å; Y7-Y172 HydrophobicContact CE2-CD2 4.29Å; Y7-Y172 AromaticContact CE2-CE2 3.73Å; Y7-Y172 HydrophobicContact CE2-CE2 3.73Å; I52-Y172 HydrophobicContact CD1-CD1 3.16Å; I52-Y172 HydrophobicContact CD1-CD2 3.71Å; I52-Y172 HydrophobicContact CD1-CE1 3.59Å; I52-Y172 HydrophobicContact CD1-CE2 4.14Å; I52-Y172 HydrophobicContact CD1-CG 3.18Å; E53-Y172 HydrophobicContact CG-CE1 4.48Å; I56-Y172 HydrophobicContact CG2-CE1 4.33Å; I56-Y172 HydrophobicContact CG2-CE2 3.96Å; I58-Y172 HydrophobicContact CD1-CD2 4.4Å; I58-Y172 HydrophobicContact CD1-CG 4.47Å; S168-Y172 WeakPolarHBondContact O-CB 3.14Å; S168-Y172 PolarHBondContact O-N 3.17Å; R169-Y172 PolarHBondContact O-N 3.16Å; D170-Y172 VanDerWaalsContact C-N 3.33Å; D170-Y172 PolarHBondContact O-N 2.95Å; Y172-M175 WeakPolarHBondContact O-CB 3.42Å; Y172-M175 PolarHBondContact O-N 3.25Å; Y172-M175 VanDerWaalsContact O-N 3.16Å; Y172-K176 HydrophobicContact CD1-CD 3.79Å; Y172-K176 HydrophobicContact CE1-CD 3.35Å; Y172-K176 HydrophobicContact CE1-CG 4.23Å; Y172-K176 HydrophobicContact CE2-CD 4.4Å; Y172-K176 HydrophobicContact CE2-CG 4.45Å; Y172-K176 PolarHBondContact O-N 3.31Å |
| 173 | E | 95.4 | Very high | 94.4 | Very high | 67 Ų | 67 | 50 Ų | 50 | 31% | 0.313 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 175.7 | -74.2 | -58.6 | 147.8 | 0 | 0 | 111.6 | R169 D170 M175 K176 M177 | R169-E173 WeakPolarHBondContact O-CG 3.35Å; R169-E173 PolarHBondContact O-N 2.82Å; D170-E173 PolarHBondContact O-N 3.29Å; E173-M175 PolarHBondContact O-N 2.84Å; E173-K176 WeakPolarHBondContact O-CB 3.24Å; E173-K176 PolarHBondContact O-N 3.02Å; E173-K176 VanDerWaalsContact O-N 3.09Å; E173-K176 IonicContact OE1-NZ 3.7Å; E173-K176 PolarHBondContact OE1-NZ 3.21Å; E173-K176 IonicContact OE2-NZ 3.69Å; E173-K176 PolarHBondContact OE2-NZ 3.41Å; E173-M177 WeakPolarHBondContact O-CG 3.33Å; E173-M177 PolarHBondContact O-N 3.07Å |
| 174 | L | 95.1 | Very high | 93.7 | Very high | 46 Ų | 46 | 58.3 Ų | 58.3 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.8 | -31.1 | 173.2 | -68.7 | 173.3 | 0 | 0 | 0 | 112.4 | V117 D170 I171 M177 G178 E179 I180 | V117-L174 HydrophobicContact CG2-CD1 3.58Å; D170-L174 WeakPolarHBondContact O-CG 3.42Å; D170-L174 PolarHBondContact O-N 2.99Å; D170-L174 VanDerWaalsContact O-N 3.13Å; I171-L174 PolarHBondContact O-N 2.97Å; L174-M177 PolarHBondContact O-N 2.7Å; L174-G178 PolarHBondContact O-N 2.76Å; L174-E179 HydrophobicContact CB-CB 4.39Å; L174-E179 HydrophobicContact CD2-CB 4.22Å; L174-E179 PolarHBondContact O-N 3.45Å; L174-I180 HydrophobicContact CB-CB 4.38Å; L174-I180 HydrophobicContact CB-CD1 3.85Å; L174-I180 HydrophobicContact CB-CG1 3.97Å; L174-I180 HydrophobicContact CD1-CD1 3.8Å; L174-I180 HydrophobicContact CD1-CG1 4.46Å; L174-I180 PolarHBondContact O-N 3.09Å |
| 175 | M | 93.3 | Very high | 93 | Very high | 28 Ų | 28 | 62.1 Ų | 62.1 | 14% | 0.138 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.9 | -42.1 | 171.2 | -70.4 | -175.1 | 66 | 0 | 0 | 112.7 | Y7 F9 I171 Y172 E173 M177 G178 I180 V189 | Y7-M175 HydrophobicContact CD1-CE 3.47Å; Y7-M175 VanDerWaalsContact CD1-CE 3.47Å; Y7-M175 HydrophobicContact CD1-SD 4.35Å; Y7-M175 HydrophobicContact CE1-CE 3.41Å; Y7-M175 VanDerWaalsContact CE1-CE 3.41Å; Y7-M175 HydrophobicContact CG-CE 4.14Å; Y7-M175 HydrophobicContact CG-SD 4.49Å; F9-M175 HydrophobicContact CE1-SD 3.41Å; F9-M175 WeakPolarHBondContact CE1-SD 3.25Å; F9-M175 HydrophobicContact CZ-SD 3.65Å; I171-M175 WeakPolarHBondContact O-CG 3.21Å; I171-M175 PolarHBondContact O-N 2.66Å; Y172-M175 WeakPolarHBondContact O-CB 3.42Å; Y172-M175 PolarHBondContact O-N 3.25Å; Y172-M175 VanDerWaalsContact O-N 3.16Å; E173-M175 PolarHBondContact O-N 2.84Å; M175-M177 PolarHBondContact O-N 3.08Å; M175-G178 PolarHBondContact O-N 2.91Å; M175-I180 WeakPolarHBondContact CA-O 3.44Å; M175-I180 HydrophobicContact CG-CB 3.95Å; M175-I180 HydrophobicContact CG-CG2 3.86Å; M175-I180 WeakPolarHBondContact CG-O 3.41Å; M175-V189 HydrophobicContact CE-CG1 3.53Å; M175-V189 HydrophobicContact SD-CG1 3.61Å; M175-V189 HydrophobicContact SD-CG2 4.37Å |
| 176 | K | 93.1 | Very high | 92.6 | Very high | 111 Ų | 111 | 59.7 Ų | 59.7 | 48% | 0.483 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.1 | -33.4 | 175.3 | -75.4 | 166.3 | 61.5 | -171.4 | 0 | 112 | E53 Y172 E173 G178 | E53-K176 IonicContact OE1-NZ 3.45Å; E53-K176 PolarHBondContact OE1-NZ 2.83Å; Y172-K176 HydrophobicContact CD1-CD 3.79Å; Y172-K176 HydrophobicContact CE1-CD 3.35Å; Y172-K176 HydrophobicContact CE1-CG 4.23Å; Y172-K176 HydrophobicContact CE2-CD 4.4Å; Y172-K176 HydrophobicContact CE2-CG 4.45Å; Y172-K176 PolarHBondContact O-N 3.31Å; E173-K176 WeakPolarHBondContact O-CB 3.24Å; E173-K176 PolarHBondContact O-N 3.02Å; E173-K176 VanDerWaalsContact O-N 3.09Å; E173-K176 IonicContact OE1-NZ 3.7Å; E173-K176 PolarHBondContact OE1-NZ 3.21Å; E173-K176 IonicContact OE2-NZ 3.69Å; E173-K176 PolarHBondContact OE2-NZ 3.41Å; K176-G178 VanDerWaalsContact C-N 3.28Å |
| 177 | M | 94.6 | Very high | 92.2 | Very high | 124 Ų | 124 | 61.5 Ų | 61.5 | 61% | 0.611 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -10.2 | 174.9 | -64.2 | 175.1 | -172.4 | 0 | 0 | 113.3 | E173 L174 M175 E179 | E173-M177 WeakPolarHBondContact O-CG 3.33Å; E173-M177 PolarHBondContact O-N 3.07Å; L174-M177 PolarHBondContact O-N 2.7Å; M175-M177 PolarHBondContact O-N 3.08Å; M177-E179 VanDerWaalsContact C-N 3.28Å; M177-E179 HydrophobicContact CB-CG 4.21Å; M177-E179 PolarHBondContact O-N 2.89Å |
| 178 | G | 91.8 | Very high | 91.8 | Very high | 46 Ų | 46 | 61.4 Ų | 61.4 | 47% | 0.474 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 8.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L174 M175 K176 | L174-G178 PolarHBondContact O-N 2.76Å; M175-G178 PolarHBondContact O-N 2.91Å; K176-G178 VanDerWaalsContact C-N 3.28Å |
| 179 | E | 91.3 | Very high | 91.7 | Very high | 133 Ų | 133 | 61.5 Ų | 61.5 | 62% | 0.621 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -75.3 | -32.7 | 177.5 | -65 | -172 | -142.7 | 0 | 0 | 111.8 | L174 M177 | L174-E179 HydrophobicContact CB-CB 4.39Å; L174-E179 HydrophobicContact CD2-CB 4.22Å; L174-E179 PolarHBondContact O-N 3.45Å; M177-E179 VanDerWaalsContact C-N 3.28Å; M177-E179 HydrophobicContact CB-CG 4.21Å; M177-E179 PolarHBondContact O-N 2.89Å |
| 180 | I | 91.8 | Very high | 91.5 | Very high | 16 Ų | 16 | 60.6 Ų | 60.6 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -113.4 | 127.6 | 169.9 | -64.5 | 178 | 0 | 0 | 0 | 108.6 | V83 V117 I171 L174 M175 W186 V189 | V83-I180 HydrophobicContact CG2-CD1 3.96Å; V83-I180 HydrophobicContact CG2-CG2 3.99Å; V117-I180 HydrophobicContact CG2-CD1 3.73Å; I171-I180 HydrophobicContact CG2-CD1 4.37Å; L174-I180 HydrophobicContact CB-CB 4.38Å; L174-I180 HydrophobicContact CB-CD1 3.85Å; L174-I180 HydrophobicContact CB-CG1 3.97Å; L174-I180 HydrophobicContact CD1-CD1 3.8Å; L174-I180 HydrophobicContact CD1-CG1 4.46Å; L174-I180 PolarHBondContact O-N 3.09Å; M175-I180 WeakPolarHBondContact CA-O 3.44Å; M175-I180 HydrophobicContact CG-CB 3.95Å; M175-I180 HydrophobicContact CG-CG2 3.86Å; M175-I180 WeakPolarHBondContact CG-O 3.41Å; I180-W186 HydrophobicContact CG2-CH2 4.38Å; I180-W186 HydrophobicContact CG2-CZ3 4.38Å; I180-V189 HydrophobicContact CG2-CG2 3.81Å |
| 181 | T | 89.9 | Confident | 91.1 | Very high | 59 Ų | 59 | 62.4 Ų | 62.4 | 36% | 0.362 | 34% | 0.343 | S | S | . | . | trans | -131.3 | 154.5 | 179.3 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 182 | T | 88.7 | Confident | 90.2 | Very high | 66 Ų | 66 | 63.5 Ų | 63.5 | 41% | 0.405 | 35% | 0.354 | S | S | . | . | trans | -64.8 | 137 | 167.3 | 51.3 | 0 | 0 | 0 | 0 | 109.5 | V189 | T182-V189 HydrophobicContact CG2-CB 4.39Å; T182-V189 HydrophobicContact CG2-CG1 3.79Å | ||
| 183 | R | 85.1 | Confident | 88.6 | Confident | 118 Ų | 118 | 66.5 Ų | 66.5 | 45% | 0.445 | 37% | 0.371 | S | S | . | . | trans | -136.2 | 141.5 | 179.7 | -60.9 | -178.4 | -175.6 | -179.4 | 1.7 | 110.3 | G185 W186 | R183-G185 PolarHBondContact O-N 2.85Å; R183-W186 HydrophobicContact CB-CB 4.2Å; R183-W186 PolarHBondContact O-N 3.25Å | ||
| 184 | D | 83 | Confident | 86.6 | Confident | 175 Ų | 175 | 68 Ų | 68 | 94% | 0.936 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 131.2 | 174.6 | -68.1 | -26.8 | 0 | 0 | 0 | 110.4 | W186 | D184-W186 VanDerWaalsContact C-N 3.3Å; D184-W186 PolarHBondContact O-N 2.86Å |
| 185 | G | 83.2 | Confident | 84.3 | Confident | 81 Ų | 81 | 69.2 Ų | 69.2 | 84% | 0.835 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 3.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | R183 | R183-G185 PolarHBondContact O-N 2.85Š|
| 186 | W | 88.3 | Confident | 81.9 | Confident | 15 Ų | 15 | 71.2 Ų | 71.2 | 6% | 0.057 | 42% | 0.423 | C | S | . | . | trans | -114.9 | 119.2 | 173 | -176.4 | 54.6 | 0 | 0 | 0 | 111.6 | R80 V83 H114 I180 R183 D184 G188 V189 | R80-W186 VanDerWaalsContact O-CD1 3.26Å; R80-W186 PolarHBondContact O-NE1 3.08Å; V83-W186 HydrophobicContact CB-CH2 4.02Å; V83-W186 HydrophobicContact CB-CZ2 4.15Å; V83-W186 HydrophobicContact CG2-CH2 3.87Å; V83-W186 HydrophobicContact CG2-CZ2 4.42Å; H114-W186 HydrophobicContact CB-CZ2 4.1Å; H114-W186 AromaticContact CD2-CD1 3.88Å; H114-W186 AromaticContact CD2-NE1 3.81Å; H114-W186 AromaticContact CE1-CD1 3.73Å; H114-W186 AromaticContact CE1-CD2 3.8Å; H114-W186 AromaticContact CE1-CG 3.56Å; H114-W186 AromaticContact CG-CE2 3.82Å; H114-W186 AromaticContact CG-NE1 3.71Å; H114-W186 AromaticContact ND1-CD2 3.68Å; H114-W186 AromaticContact ND1-CE2 3.66Å; H114-W186 AromaticContact ND1-CG 3.92Å; H114-W186 AromaticContact ND1-NE1 3.87Å; H114-W186 AromaticContact NE2-CD1 3.66Å; H114-W186 AromaticContact NE2-CG 3.92Å; I180-W186 HydrophobicContact CG2-CH2 4.38Å; I180-W186 HydrophobicContact CG2-CZ3 4.38Å; R183-W186 HydrophobicContact CB-CB 4.2Å; R183-W186 PolarHBondContact O-N 3.25Å; D184-W186 VanDerWaalsContact C-N 3.3Å; D184-W186 PolarHBondContact O-N 2.86Å; W186-G188 VanDerWaalsContact C-N 3.33Å; W186-G188 PolarHBondContact O-N 3.41Å; W186-V189 HydrophobicContact CH2-CG2 4.26Å; W186-V189 HydrophobicContact CZ3-CB 4.37Å; W186-V189 HydrophobicContact CZ3-CG2 4.09Å | ||
| 187 | D | 89.6 | Confident | 79.4 | Confident | 49 Ų | 49 | 70.5 Ų | 70.5 | 26% | 0.262 | 43% | 0.427 | S | S | . | . | trans | -87.4 | 2.8 | -175.1 | -71.3 | -35.1 | 0 | 0 | 0 | 114.3 | N81 V189 K190 | N81-D187 HydrophobicContact CB-CB 4.02Å; N81-D187 CarbonylContact O-C 3.53Å; N81-D187 PolarHBondContact OD1-N 3.43Å; D187-V189 VanDerWaalsContact C-N 3.33Å; D187-V189 PolarHBondContact O-N 2.98Å; D187-K190 WeakPolarHBondContact OD1-CE 3.32Å; D187-K190 IonicContact OD1-NZ 3.43Å; D187-K190 PolarHBondContact OD1-NZ 2.97Å | ||
| 188 | G | 90.9 | Very high | 76.7 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -59.7 | -43.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R10 N81 V83 W186 | R10-G188 PolarHBondContact N-O 2.95Å; N81-G188 WeakPolarHBondContact O-CA 3.28Å; N81-G188 PolarHBondContact O-N 3.2Å; N81-G188 VanDerWaalsContact O-N 3.08Å; V83-G188 WeakPolarHBondContact CB-O 3.16Å; V83-G188 WeakPolarHBondContact CG1-O 3.28Å; W186-G188 VanDerWaalsContact C-N 3.33Å; W186-G188 PolarHBondContact O-N 3.41Å |
| 189 | V | 93.9 | Very high | 73.9 | Confident | 2 Ų | 2 | 77.2 Ų | 77.2 | 1% | 0.012 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 129.8 | 177.5 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | Q8 F9 V83 M175 I180 T182 W186 D187 | Q8-V189 WeakPolarHBondContact O-CA 3.37Å; F9-V189 HydrophobicContact CD1-CG1 4.16Å; F9-V189 HydrophobicContact CD1-CG2 4.14Å; F9-V189 HydrophobicContact CE1-CG1 3.97Å; F9-V189 HydrophobicContact CE1-CG2 4.35Å; V83-V189 HydrophobicContact CB-CG2 3.89Å; V83-V189 HydrophobicContact CG1-CG2 4.02Å; V83-V189 HydrophobicContact CG2-CG2 3.64Å; M175-V189 HydrophobicContact CE-CG1 3.53Å; M175-V189 HydrophobicContact SD-CG1 3.61Å; M175-V189 HydrophobicContact SD-CG2 4.37Å; I180-V189 HydrophobicContact CG2-CG2 3.81Å; T182-V189 HydrophobicContact CG2-CB 4.39Å; T182-V189 HydrophobicContact CG2-CG1 3.79Å; W186-V189 HydrophobicContact CH2-CG2 4.26Å; W186-V189 HydrophobicContact CZ3-CB 4.37Å; W186-V189 HydrophobicContact CZ3-CG2 4.09Å; D187-V189 VanDerWaalsContact C-N 3.33Å; D187-V189 PolarHBondContact O-N 2.98Å |
| 190 | K | 92.7 | Very high | 71.2 | Confident | 86 Ų | 86 | 76.7 Ų | 76.7 | 37% | 0.374 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 143.3 | 169 | -59.8 | -171.8 | 178.7 | -172.8 | 0 | 110.8 | Y7 Q8 D187 | Y7-K190 CarbonylContact C-O 3.6Å; Y7-K190 VanDerWaalsContact CA-O 3.27Å; Y7-K190 WeakPolarHBondContact CA-O 3.46Å; Q8-K190 HydrophobicContact CB-CB 4.28Å; Q8-K190 PolarHBondContact N-O 3.48Å; Q8-K190 PolarHBondContact O-N 2.82Å; D187-K190 WeakPolarHBondContact OD1-CE 3.32Å; D187-K190 IonicContact OD1-NZ 3.43Å; D187-K190 PolarHBondContact OD1-NZ 2.97Å |
| 191 | S | 89.2 | Confident | 68.5 | Low | 67 Ų | 67 | 79.2 Ų | 79.2 | 47% | 0.469 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 147.5 | 167.4 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | W5 L193 | W5-S191 WeakPolarHBondContact CZ3-O 3.45Å; S191-L193 PolarHBondContact O-N 2.55Å |
| 192 | G | 78.4 | Confident | 65.8 | Low | 22 Ų | 22 | 85.4 Ų | 85.4 | 23% | 0.227 | 50% | 0.503 | C | S | . | . | trans | -50.7 | 129.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W5 Q6 T194 | W5-G192 VanDerWaalsContact CE3-CA 3.45Å; W5-G192 VanDerWaalsContact CZ3-N 3.35Å; W5-G192 VanDerWaalsContact O-CA 3.26Å; W5-G192 WeakPolarHBondContact O-CA 3.32Å; Q6-G192 PolarHBondContact O-N 2.73Å; G192-T194 PolarHBondContact O-N 3.35Å; G192-T194 VanDerWaalsContact O-N 3.14Å | ||
| 193 | L | 61 | Low | 63.2 | Low | 86 Ų | 86 | 90.6 Ų | 90.6 | 45% | 0.45 | 52% | 0.523 | S | S | . | . | trans | -63.9 | 112.9 | 163.8 | -72.5 | 158 | 0 | 0 | 0 | 107.2 | S191 T195 V197 | S191-L193 PolarHBondContact O-N 2.55Å; L193-T195 PolarHBondContact O-N 3.24Å; L193-V197 HydrophobicContact CD2-CB 3.98Å; L193-V197 HydrophobicContact CD2-CG1 4.38Å; L193-V197 HydrophobicContact CD2-CG2 4.48Å | ||
| 194 | T | 52.8 | Low | 60.8 | Low | 99 Ų | 99 | 92.6 Ų | 92.6 | 61% | 0.607 | 54% | 0.542 | S | S | * | . | trans | -55 | 133.1 | 152.9 | 44.1 | 0 | 0 | 0 | 0 | 106.6 | G192 G196 V197 | G192-T194 PolarHBondContact O-N 3.35Å; G192-T194 VanDerWaalsContact O-N 3.14Å; T194-G196 PolarHBondContact O-N 3.21Å; T194-V197 PolarHBondContact O-N 2.96Å | ||
| 195 | T | 47 | Very low | 58.5 | Low | 70 Ų | 70 | 91 Ų | 91 | 43% | 0.429 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -54.3 | 2.6 | -175.8 | 22.7 | 0 | 0 | 0 | 0 | 116.1 | L193 | L193-T195 PolarHBondContact O-N 3.24Š|
| 196 | G | 43.2 | Very low | 56.1 | Low | 71 Ų | 71 | 95.7 Ų | 95.7 | 73% | 0.732 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -82.9 | 4.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | T194 | T194-G196 PolarHBondContact O-N 3.21Š|
| 197 | V | 40.3 | Very low | 53.6 | Low | 96 Ų | 96 | 101.1 Ų | 101.1 | 58% | 0.582 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -121.1 | 9.2 | -178.5 | -162.6 | 0 | 0 | 0 | 0 | 113.1 | L193 T194 | L193-V197 HydrophobicContact CD2-CB 3.98Å; L193-V197 HydrophobicContact CD2-CG1 4.38Å; L193-V197 HydrophobicContact CD2-CG2 4.48Å; T194-V197 PolarHBondContact O-N 2.96Å |
| 198 | L | 38.8 | Very low | 51 | Low | 100 Ų | 100 | 106.9 Ų | 106.9 | 52% | 0.524 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -91 | 5.9 | 179.5 | -79.7 | 169.2 | 0 | 0 | 0 | 115.3 | ||
| 199 | Y | 33.3 | Very low | 48.2 | Very low | 211 Ų | 211 | 112.7 Ų | 112.7 | 83% | 0.827 | 63% | 0.63 | S | S | * | * | trans | -138.1 | 103.7 | 165.5 | -61.8 | -81.4 | 0 | 0 | 0 | 109.2 | G201 | Y199-G201 PolarHBondContact O-N 3.06Š| ||
| 200 | P | 34.8 | Very low | 45.7 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | trans | -62 | 124.3 | 152.6 | -0.4 | 16.4 | 0 | 0 | 0 | 106 | E202 | P200-E202 PolarHBondContact O-N 3.05Š| ||
| 201 | G | 33.9 | Very low | 43.1 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | trans | -46.9 | 123.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y199 E203 | Y199-G201 PolarHBondContact O-N 3.06Å; G201-E203 VanDerWaalsContact C-N 3.27Å; G201-E203 PolarHBondContact O-N 3.3Å; G201-E203 VanDerWaalsContact O-N 3.14Å | ||
| 202 | E | 34.6 | Very low | 40.8 | Very low | 189 Ų | 189 | 136 Ų | 136 | 88% | 0.883 | 72% | 0.719 | S | S | * | * | trans | -64.2 | 103.5 | 144.2 | -71.4 | -179.4 | 156.7 | 0 | 0 | 104.4 | P200 D204 | P200-E202 PolarHBondContact O-N 3.05Å; E202-D204 PolarHBondContact O-N 2.94Å | ||
| 203 | E | 34.1 | Very low | 38.7 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -53.1 | 121.3 | 162.1 | -73.4 | 177.7 | 161.2 | 0 | 0 | 106.8 | G201 I205 | G201-E203 VanDerWaalsContact C-N 3.27Å; G201-E203 PolarHBondContact O-N 3.3Å; G201-E203 VanDerWaalsContact O-N 3.14Å; E203-I205 VanDerWaalsContact C-N 3.3Å; E203-I205 PolarHBondContact O-N 3.16Å | ||
| 204 | D | 33.9 | Very low | 37.5 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | -55.8 | 95.3 | 168.8 | -71.7 | -53.4 | 0 | 0 | 0 | 108.3 | E202 E206 | E202-D204 PolarHBondContact O-N 2.94Å; D204-E206 VanDerWaalsContact C-N 3.32Å; D204-E206 PolarHBondContact O-N 3.22Å; D204-E206 VanDerWaalsContact O-N 3.08Å | ||
| 205 | I | 34.9 | Very low | 36.9 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | trans | -75.4 | 95.4 | 164.4 | -58.9 | 175.6 | 0 | 0 | 0 | 105.5 | E203 V207 | E203-I205 VanDerWaalsContact C-N 3.3Å; E203-I205 PolarHBondContact O-N 3.16Å; I205-V207 HydrophobicContact CG2-CG2 4.49Å; I205-V207 PolarHBondContact O-N 3.21Å | ||
| 206 | E | 32.4 | Very low | 36.5 | Very low | 179 Ų | 179 | 151.2 Ų | 151.2 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -54.7 | 103.8 | 162.7 | -75.8 | -174.7 | 155.5 | 0 | 0 | 108.6 | D204 E208 | D204-E206 VanDerWaalsContact C-N 3.32Å; D204-E206 PolarHBondContact O-N 3.22Å; D204-E206 VanDerWaalsContact O-N 3.08Å; E206-E208 PolarHBondContact O-N 2.9Å | ||
| 207 | V | 35.6 | Very low | 36.2 | Very low | 130 Ų | 130 | 155.3 Ų | 155.3 | 79% | 0.788 | 83% | 0.825 | S | S | * | * | trans | -79.3 | 100.1 | 172.3 | -177 | 0 | 0 | 0 | 0 | 107.6 | I205 | I205-V207 HydrophobicContact CG2-CG2 4.49Å; I205-V207 PolarHBondContact O-N 3.21Å | ||
| 208 | E | 34.4 | Very low | 36 | Very low | 169 Ų | 169 | 158.4 Ų | 158.4 | 79% | 0.79 | 84% | 0.838 | S | S | * | * | trans | -55.5 | 133.5 | 167.3 | -76.1 | -168.9 | 154.6 | 0 | 0 | 110.5 | E206 R210 | E206-E208 PolarHBondContact O-N 2.9Å; E208-R210 PolarHBondContact O-N 3.37Å; E208-R210 VanDerWaalsContact O-N 3.15Å | ||
| 209 | P | 33.7 | Very low | 35.8 | Very low | 123 Ų | 123 | 161.6 Ų | 161.6 | 80% | 0.799 | 86% | 0.855 | S | S | * | * | trans | -71.9 | 111.5 | 177.3 | 21.7 | -21.5 | 0 | 0 | 0 | 110.3 | E211 | P209-E211 PolarHBondContact O-N 3.34Š| ||
| 210 | R | 40.3 | Very low | 35.9 | Very low | 244 Ų | 244 | 158.7 Ų | 158.7 | 92% | 0.921 | 86% | 0.857 | S | S | * | * | trans | -65.5 | 114.4 | 169.7 | -77.6 | -175.8 | 176.8 | -176.8 | -0.4 | 110.5 | E208 K212 | E208-R210 PolarHBondContact O-N 3.37Å; E208-R210 VanDerWaalsContact O-N 3.15Å; R210-K212 PolarHBondContact O-N 3.21Å | ||
| 211 | E | 38.5 | Very low | 36 | Very low | 190 Ų | 190 | 161.1 Ų | 161.1 | 89% | 0.888 | 86% | 0.862 | S | S | * | * | trans | -57.7 | 130.4 | 168.3 | -68.1 | -177.4 | 150.5 | 0 | 0 | 111.1 | P209 S213 | P209-E211 PolarHBondContact O-N 3.34Å; E211-S213 PolarHBondContact O-N 2.68Å | ||
| 212 | K | 39.7 | Very low | 36.2 | Very low | 209 Ų | 209 | 167.1 Ų | 167.1 | 91% | 0.909 | 87% | 0.871 | S | S | * | * | trans | -77 | 103.4 | 170.9 | -72.1 | -178.9 | 179 | 177.9 | 0 | 109 | R210 | R210-K212 PolarHBondContact O-N 3.21Š| ||
| 213 | S | 36 | Very low | 36.3 | Very low | 117 Ų | 117 | 165.6 Ų | 165.6 | 82% | 0.818 | 87% | 0.87 | S | S | * | * | trans | -90.4 | 103.1 | 159.4 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | E211 | E211-S213 PolarHBondContact O-N 2.68Š| ||
| 214 | C | 35.8 | Very low | 36.4 | Very low | 124 Ų | 124 | 164.8 Ų | 164.8 | 84% | 0.838 | 87% | 0.874 | S | S | * | * | trans | -90 | 125.5 | 157.4 | -103.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 215 | N | 39.3 | Very low | 36.7 | Very low | 152 Ų | 152 | 165.3 Ų | 165.3 | 81% | 0.813 | 88% | 0.876 | S | S | * | * | trans | -152.9 | 137.6 | 154.2 | -122.3 | 6 | 0 | 0 | 0 | 110.7 | ||||
| 216 | C | 39.1 | Very low | 36.8 | Very low | 205 Ų | 205 | 167.5 Ų | 167.5 | 100% | 1.385 | 89% | 0.889 | S | S | * | * | trans | 85.4 | 0 | -179.4 | -51.5 | 0 | 0 | 0 | 0 | 115.8 |
Retrieved 216 of 216 residues in 42.6 ms
(Link to these results)