| 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 | 36.1 | Very low | 57.9 | Low | 246 Ų | 246 | 126.2 Ų | 126.2 | 100% | 1.212 | 71% | 0.708 | S | S | * | * | 0 | 95.9 | 0 | -69.2 | 178.3 | -174.8 | 0 | 0 | 106.8 | S3 | M1-S3 PolarHBondContact O-N 2.76Å; M1-S3 VanDerWaalsContact O-N 3.12Å | |||
| 2 | G | 36.5 | Very low | 61 | Low | 80 Ų | 80 | 116.4 Ų | 116.4 | 83% | 0.825 | 65% | 0.652 | S | S | * | * | trans | -70 | 105.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | D4 | G2-D4 PolarHBondContact O-N 3.07Å; G2-D4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | S | 39.5 | Very low | 63.7 | Low | 79 Ų | 79 | 111.5 Ų | 111.5 | 55% | 0.552 | 62% | 0.62 | S | S | * | * | trans | -64.5 | 105.7 | 163.9 | 47.6 | 0 | 0 | 0 | 0 | 106.7 | M1 F5 | M1-S3 PolarHBondContact O-N 2.76Å; M1-S3 VanDerWaalsContact O-N 3.12Å; S3-F5 PolarHBondContact O-N 3.46Å; S3-F5 VanDerWaalsContact OG-CD2 3.31Å; S3-F5 WeakPolarHBondContact OG-CD2 3.4Å; S3-F5 WeakPolarHBondContact OG-CE2 3.33Å | ||
| 4 | D | 46.2 | Very low | 66.2 | Low | 168 Ų | 168 | 103.6 Ų | 103.6 | 90% | 0.898 | 58% | 0.575 | S | S | * | * | trans | -59.7 | 84.2 | 160.7 | -87.2 | -33 | 0 | 0 | 0 | 107.2 | G2 G6 | G2-D4 PolarHBondContact O-N 3.07Å; G2-D4 VanDerWaalsContact O-N 3.11Å; D4-G6 PolarHBondContact O-N 2.67Å | ||
| 5 | F | 48.6 | Very low | 68.3 | Low | 177 Ų | 177 | 96.7 Ų | 96.7 | 78% | 0.776 | 54% | 0.537 | S | S | * | . | trans | -67.9 | 80.1 | 159.5 | -75.1 | -76.4 | 0 | 0 | 0 | 105.5 | S3 N7 | S3-F5 PolarHBondContact O-N 3.46Å; S3-F5 VanDerWaalsContact OG-CD2 3.31Å; S3-F5 WeakPolarHBondContact OG-CD2 3.4Å; S3-F5 WeakPolarHBondContact OG-CE2 3.33Å; F5-N7 PolarHBondContact O-N 2.92Å | ||
| 6 | G | 50.6 | Low | 70.2 | Confident | 63 Ų | 63 | 90.6 Ų | 90.6 | 65% | 0.649 | 50% | 0.504 | S | S | * | . | trans | -47 | 118.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | D4 P8 | D4-G6 PolarHBondContact O-N 2.67Å; G6-P8 VanDerWaalsContact O-N 3.07Å | ||
| 7 | N | 53.9 | Low | 71.8 | Confident | 151 Ų | 151 | 85.3 Ų | 85.3 | 81% | 0.807 | 47% | 0.474 | S | S | * | . | trans | -45 | 119 | -170.6 | -143.4 | -13.4 | 0 | 0 | 0 | 108.9 | F5 L9 | F5-N7 PolarHBondContact O-N 2.92Å; N7-L9 PolarHBondContact O-N 2.85Å | ||
| 8 | P | 68.4 | Low | 73.3 | Confident | 108 Ų | 108 | 80.6 Ų | 80.6 | 70% | 0.701 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 121.2 | -168.2 | 17.5 | -29 | 0 | 0 | 0 | 109.9 | G6 R10 | G6-P8 VanDerWaalsContact O-N 3.07Å; P8-R10 PolarHBondContact O-N 2.76Å; P8-R10 VanDerWaalsContact O-N 3.15Å |
| 9 | L | 77.9 | Confident | 74.6 | Confident | 66 Ų | 66 | 77.9 Ų | 77.9 | 35% | 0.346 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -48.7 | 123.1 | 178.5 | -73.4 | 169.5 | 0 | 0 | 0 | 109.8 | N7 K11 T59 | N7-L9 PolarHBondContact O-N 2.85Å; L9-K11 WeakPolarHBondContact O-CG 3.41Å; L9-K11 PolarHBondContact O-N 3.41Å; L9-T59 HydrophobicContact CD2-CG2 3.59Å; L9-T59 WeakPolarHBondContact CD2-O 3.45Å |
| 10 | R | 87.8 | Confident | 75.7 | Confident | 119 Ų | 119 | 78.9 Ų | 78.9 | 45% | 0.449 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 126.2 | 177.2 | -68.4 | -173.7 | 73.3 | -162.9 | -0.5 | 109.1 | P8 F12 R61 P173 | P8-R10 PolarHBondContact O-N 2.76Å; P8-R10 VanDerWaalsContact O-N 3.15Å; R10-F12 HydrophobicContact CB-CE2 3.89Å; R10-F12 HydrophobicContact CB-CZ 4.32Å; R10-R61 PolarHBondContact O-N 3.28Å; R10-P173 PolarHBondContact NH1-O 2.92Å; R10-P173 PolarHBondContact NH2-O 3.33Å |
| 11 | K | 91.6 | Very high | 76.7 | Confident | 131 Ų | 131 | 77.4 Ų | 77.4 | 57% | 0.57 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 132.7 | -178.7 | -61.7 | 175 | -173.1 | 170.3 | 0 | 109 | L9 R61 | L9-K11 WeakPolarHBondContact O-CG 3.41Å; L9-K11 PolarHBondContact O-N 3.41Å; K11-R61 CarbonylContact C-O 3.6Å; K11-R61 VanDerWaalsContact CA-O 3.31Å; K11-R61 WeakPolarHBondContact CA-O 3.45Å; K11-R61 HydrophobicContact CG-CB 4.25Å |
| 12 | F | 95 | Very high | 79.6 | Confident | 9 Ų | 9 | 65.8 Ų | 65.8 | 4% | 0.039 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 127.2 | 175.4 | -63.9 | -80.2 | 0 | 0 | 0 | 109.6 | R10 L14 V60 R61 L62 Q63 T85 L172 | R10-F12 HydrophobicContact CB-CE2 3.89Å; R10-F12 HydrophobicContact CB-CZ 4.32Å; F12-L14 HydrophobicContact CB-CD1 4.34Å; F12-V60 HydrophobicContact CD2-CB 4.1Å; F12-V60 HydrophobicContact CD2-CG1 4.23Å; F12-V60 HydrophobicContact CE2-CB 4.18Å; F12-V60 HydrophobicContact CE2-CG1 3.8Å; F12-R61 PolarHBondContact N-O 2.87Å; F12-L62 HydrophobicContact CB-CD2 4.11Å; F12-L62 WeakPolarHBondContact O-CA 3.46Å; F12-Q63 PolarHBondContact O-N 2.75Å; F12-T85 HydrophobicContact CD1-CG2 4.08Å; F12-L172 HydrophobicContact CB-CD1 4.03Å; F12-L172 HydrophobicContact CB-CD2 4.12Å; F12-L172 HydrophobicContact CD1-CB 4.49Å; F12-L172 HydrophobicContact CD1-CD1 4.18Å; F12-L172 HydrophobicContact CD1-CD2 3.64Å; F12-L172 HydrophobicContact CD1-CG 4.32Å; F12-L172 HydrophobicContact CD2-CD1 3.65Å; F12-L172 HydrophobicContact CE1-CB 4.18Å; F12-L172 HydrophobicContact CE1-CD2 4.11Å; F12-L172 HydrophobicContact CE2-CB 4.48Å; F12-L172 HydrophobicContact CE2-CD1 4.05Å; F12-L172 HydrophobicContact CG-CD1 3.69Å; F12-L172 HydrophobicContact CG-CD2 3.89Å; F12-L172 HydrophobicContact CG-CG 4.31Å; F12-L172 HydrophobicContact CZ-CB 4.16Å; F12-L172 HydrophobicContact CZ-CD1 4.45Å |
| 13 | K | 96.3 | Very high | 82.5 | Confident | 53 Ų | 53 | 62.4 Ų | 62.4 | 23% | 0.23 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 124.2 | 179.4 | -73.8 | 175 | 175.1 | -179.4 | 0 | 109.4 | Q63 D83 T85 V86 | K13-Q63 CarbonylContact C-O 3.6Å; K13-Q63 WeakPolarHBondContact CA-O 3.42Å; K13-Q63 HydrophobicContact CG-CB 3.96Å; K13-D83 HydrophobicContact CD-CB 4.01Å; K13-D83 WeakPolarHBondContact CD-O 3.37Å; K13-D83 IonicContact NZ-OD2 3.35Å; K13-D83 PolarHBondContact NZ-OD2 3.33Å; K13-T85 PolarHBondContact O-N 3.34Å; K13-V86 PolarHBondContact O-N 3.12Å; K13-V86 VanDerWaalsContact O-N 3.15Å |
| 14 | L | 98.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 122.3 | 174.9 | -77.3 | 60.2 | 0 | 0 | 0 | 107.4 | F12 F16 L62 Q63 L64 W65 V86 F165 V168 | F12-L14 HydrophobicContact CB-CD1 4.34Å; L14-F16 HydrophobicContact CB-CE2 4.13Å; L14-L62 HydrophobicContact CD1-CD2 4.03Å; L14-L62 HydrophobicContact CD2-CD1 4.16Å; L14-Q63 PolarHBondContact N-O 3.27Å; L14-L64 HydrophobicContact CB-CD2 3.99Å; L14-L64 HydrophobicContact CD2-CD2 3.73Å; L14-L64 HydrophobicContact CG-CD2 4.35Å; L14-W65 PolarHBondContact O-N 3.06Å; L14-V86 WeakPolarHBondContact CA-O 3.48Å; L14-V86 HydrophobicContact CB-CB 4.49Å; L14-V86 HydrophobicContact CD1-CB 4.19Å; L14-V86 HydrophobicContact CD1-CG2 4.15Å; L14-V86 HydrophobicContact CG-CB 3.83Å; L14-V86 HydrophobicContact CG-CG1 4.13Å; L14-V86 HydrophobicContact CG-CG2 4.25Å; L14-F165 HydrophobicContact CD2-CD1 4.11Å; L14-F165 HydrophobicContact CD2-CE1 4.01Å; L14-V168 HydrophobicContact CD2-CG1 3.96Å; L14-V168 HydrophobicContact CG-CG1 4.29Å |
| 15 | V | 98.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 132.5 | 170.9 | 64.1 | 0 | 0 | 0 | 0 | 110 | L17 W65 T67 I81 S84 V86 A87 V88 | V15-L17 HydrophobicContact CG1-CD1 4.26Å; V15-L17 HydrophobicContact CG1-CG 4.28Å; V15-L17 HydrophobicContact CG2-CD2 3.8Å; V15-L17 HydrophobicContact CG2-CG 4.13Å; V15-W65 HydrophobicContact CB-CB 4.39Å; V15-W65 HydrophobicContact CG2-CB 4.3Å; V15-T67 HydrophobicContact CG2-CG2 3.64Å; V15-I81 HydrophobicContact CG1-CG1 4.35Å; V15-S84 WeakPolarHBondContact CB-OG 3.32Å; V15-V86 PolarHBondContact N-O 3.37Å; V15-A87 HydrophobicContact CG1-CB 4.11Å; V15-V88 PolarHBondContact O-N 3.16Å |
| 16 | F | 98.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121.4 | 176.2 | -75.3 | -108.1 | 0 | 0 | 0 | 109 | L14 K24 I28 L64 W65 T67 V88 V90 F165 | L14-F16 HydrophobicContact CB-CE2 4.13Å; F16-K24 HydrophobicContact CB-CB 4.16Å; F16-K24 HydrophobicContact CB-CD 4.28Å; F16-K24 HydrophobicContact CB-CG 4.44Å; F16-I28 HydrophobicContact CB-CD1 4.12Å; F16-I28 HydrophobicContact CD1-CD1 4.14Å; F16-I28 HydrophobicContact CD1-CG1 4.02Å; F16-I28 HydrophobicContact CD2-CD1 3.65Å; F16-I28 HydrophobicContact CD2-CG1 3.96Å; F16-I28 HydrophobicContact CE1-CG1 3.98Å; F16-I28 HydrophobicContact CE2-CD1 4.12Å; F16-I28 HydrophobicContact CE2-CG1 3.94Å; F16-I28 HydrophobicContact CG-CD1 3.69Å; F16-I28 HydrophobicContact CG-CG1 4.03Å; F16-I28 HydrophobicContact CZ-CG1 3.96Å; F16-L64 HydrophobicContact CE2-CB 4.47Å; F16-L64 HydrophobicContact CE2-CD2 4.21Å; F16-W65 PolarHBondContact N-O 3.15Å; F16-T67 WeakPolarHBondContact O-CB 3.26Å; F16-T67 WeakPolarHBondContact O-CG2 3.43Å; F16-T67 PolarHBondContact O-OG1 2.84Å; F16-V88 CarbonylContact C-O 3.58Å; F16-V88 WeakPolarHBondContact CA-O 3.34Å; F16-V88 HydrophobicContact CD1-CB 3.88Å; F16-V88 HydrophobicContact CD1-CG1 3.89Å; F16-V88 HydrophobicContact CE1-CB 3.89Å; F16-V88 HydrophobicContact CE1-CG1 3.72Å; F16-V88 HydrophobicContact CE1-CG2 4.13Å; F16-V88 HydrophobicContact CE2-CG2 4.26Å; F16-V88 HydrophobicContact CG-CB 4.21Å; F16-V88 HydrophobicContact CZ-CB 4.2Å; F16-V88 HydrophobicContact CZ-CG1 4.38Å; F16-V88 HydrophobicContact CZ-CG2 3.95Å; F16-V90 HydrophobicContact CD1-CG2 4.42Å; F16-F165 HydrophobicContact CE1-CZ 4.26Å; F16-F165 HydrophobicContact CE2-CE1 4.41Å; F16-F165 HydrophobicContact CE2-CZ 4.45Å; F16-F165 AromaticContact CZ-CE1 3.8Å; F16-F165 HydrophobicContact CZ-CE1 3.8Å; F16-F165 AromaticContact CZ-CZ 3.54Å; F16-F165 HydrophobicContact CZ-CZ 3.54Å |
| 17 | L | 98.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 163 | -175.1 | -59 | 174.4 | 0 | 0 | 0 | 110.5 | V15 K24 T67 I77 I81 A87 V88 V89 V90 W105 V109 | V15-L17 HydrophobicContact CG1-CD1 4.26Å; V15-L17 HydrophobicContact CG1-CG 4.28Å; V15-L17 HydrophobicContact CG2-CD2 3.8Å; V15-L17 HydrophobicContact CG2-CG 4.13Å; L17-K24 VanDerWaalsContact C-CD 3.43Å; L17-K24 WeakPolarHBondContact O-CD 3.31Å; L17-T67 HydrophobicContact CD2-CG2 4.03Å; L17-I77 HydrophobicContact CD2-CD1 4.47Å; L17-I77 HydrophobicContact CD2-CG2 3.46Å; L17-I77 VanDerWaalsContact CD2-CG2 3.46Å; L17-I81 HydrophobicContact CD1-CD1 3.83Å; L17-I81 HydrophobicContact CD1-CG1 4.04Å; L17-I81 HydrophobicContact CD2-CD1 4.49Å; L17-I81 HydrophobicContact CD2-CG1 4.5Å; L17-A87 HydrophobicContact CD1-CB 4.43Å; L17-V88 PolarHBondContact N-O 3.18Å; L17-V89 HydrophobicContact CB-CG2 4.39Å; L17-V90 PolarHBondContact O-N 3.41Å; L17-W105 HydrophobicContact CB-CD2 4.28Å; L17-W105 HydrophobicContact CB-CE3 4.03Å; L17-W105 HydrophobicContact CD1-CE3 4.46Å; L17-W105 HydrophobicContact CD2-CE3 4.26Å; L17-W105 HydrophobicContact CD2-CZ3 4.11Å; L17-W105 HydrophobicContact CG-CE3 4.49Å; L17-V109 HydrophobicContact CD1-CG2 3.31Å |
| 18 | G | 98.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | trans | 134.2 | 166.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K24 W105 | G18-K24 PolarHBondContact O-NZ 3.11Å; G18-W105 WeakPolarHBondContact O-CZ2 3.39Å | ||
| 19 | E | 97.9 | Very high | 95.8 | Very high | 30 Ų | 30 | 32.9 Ų | 32.9 | 14% | 0.14 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -61.4 | 167.7 | -179.4 | -64.9 | -62 | 111.6 | 0 | 0 | 112.4 | V22 K24 R74 Q101 W105 | E19-V22 HydrophobicContact CB-CG1 4.04Å; E19-V22 VanDerWaalsContact O-CG2 3.26Å; E19-V22 WeakPolarHBondContact O-CG2 3.37Å; E19-K24 PolarHBondContact O-NZ 3.28Å; E19-R74 IonicContact OE1-CZ 3.66Å; E19-R74 IonicContact OE1-NH1 2.76Å; E19-R74 PolarHBondContact OE1-NH1 3.3Å; E19-R74 IonicContact OE1-NH2 3.88Å; E19-R74 PolarHBondContact OE1-NH2 3.22Å; E19-Q101 HydrophobicContact CG-CB 3.68Å; E19-Q101 HydrophobicContact CG-CG 3.92Å; E19-W105 PolarHBondContact OE1-NE1 2.86Å |
| 20 | Q | 96.2 | Very high | 96.7 | Very high | 97 Ų | 97 | 31.6 Ų | 31.6 | 45% | 0.453 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 152.6 | 173.5 | 66.3 | 176.1 | 6.7 | 0 | 0 | 111.1 | V22 G69 Q70 | Q20-V22 PolarHBondContact O-N 3.14Å; Q20-G69 PolarHBondContact N-O 3.15Å; Q20-Q70 HydrophobicContact CB-CG 4.49Å |
| 21 | S | 95.9 | Very high | 97.2 | Very high | 48 Ų | 48 | 26.9 Ų | 26.9 | 34% | 0.336 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 2.2 | 175.5 | 78.5 | 0 | 0 | 0 | 0 | 117.6 | G23 K125 | S21-G23 PolarHBondContact O-N 2.95Å; S21-K125 WeakPolarHBondContact O-CE 3.02Å; S21-K125 PolarHBondContact O-NZ 3.1Å |
| 22 | V | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -69.2 | -16 | 176.7 | -56.6 | 0 | 0 | 0 | 0 | 113.8 | E19 Q20 K24 V90 D92 N124 | E19-V22 HydrophobicContact CB-CG1 4.04Å; E19-V22 VanDerWaalsContact O-CG2 3.26Å; E19-V22 WeakPolarHBondContact O-CG2 3.37Å; Q20-V22 PolarHBondContact O-N 3.14Å; V22-K24 HydrophobicContact CG2-CD 4.44Å; V22-K24 HydrophobicContact CG2-CG 3.77Å; V22-V90 HydrophobicContact CB-CG1 4.25Å; V22-V90 HydrophobicContact CG2-CB 3.86Å; V22-V90 HydrophobicContact CG2-CG1 3.87Å; V22-D92 HydrophobicContact CB-CB 4.38Å; V22-D92 HydrophobicContact CG1-CB 4.31Å; V22-N124 PolarHBondContact O-ND2 3.12Å |
| 23 | G | 98.1 | Very high | 97.3 | Very high | 10 Ų | 10 | 25.7 Ų | 25.7 | 10% | 0.103 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 101.2 | 25.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S21 S26 L27 | S21-G23 PolarHBondContact O-N 2.95Å; G23-S26 PolarHBondContact O-N 2.98Å; G23-L27 WeakPolarHBondContact O-CG 3.19Å; G23-L27 PolarHBondContact O-N 3.43Å |
| 24 | K | 97.9 | Very high | 97.3 | Very high | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -52.8 | -57.9 | 174.1 | -59 | -173.8 | -62.8 | -81.3 | 0 | 112.2 | F16 L17 G18 E19 V22 S26 L27 I28 D66 T67 V90 | F16-K24 HydrophobicContact CB-CB 4.16Å; F16-K24 HydrophobicContact CB-CD 4.28Å; F16-K24 HydrophobicContact CB-CG 4.44Å; L17-K24 VanDerWaalsContact C-CD 3.43Å; L17-K24 WeakPolarHBondContact O-CD 3.31Å; G18-K24 PolarHBondContact O-NZ 3.11Å; E19-K24 PolarHBondContact O-NZ 3.28Å; V22-K24 HydrophobicContact CG2-CD 4.44Å; V22-K24 HydrophobicContact CG2-CG 3.77Å; K24-S26 VanDerWaalsContact C-N 3.3Å; K24-S26 PolarHBondContact O-N 3.15Å; K24-L27 WeakPolarHBondContact O-CB 3.04Å; K24-L27 PolarHBondContact O-N 3.23Å; K24-L27 VanDerWaalsContact O-N 3.17Å; K24-I28 WeakPolarHBondContact O-CG1 3.47Å; K24-I28 PolarHBondContact O-N 2.67Å; K24-D66 WeakPolarHBondContact CB-OD1 3.35Å; K24-T67 WeakPolarHBondContact CE-O 3.14Å; K24-V90 HydrophobicContact CG-CB 4.14Å; K24-V90 HydrophobicContact CG-CG2 4.08Å |
| 25 | T | 97.2 | Very high | 97.1 | Very high | 47 Ų | 47 | 30.5 Ų | 30.5 | 29% | 0.288 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -55.8 | -44.3 | 174.7 | -44.9 | 0 | 0 | 0 | 0 | 111.4 | L27 I28 T29 T43 D66 | T25-L27 PolarHBondContact O-N 3.02Å; T25-I28 PolarHBondContact O-N 3.4Å; T25-T29 WeakPolarHBondContact O-CB 3.4Å; T25-T29 PolarHBondContact O-N 3.29Å; T25-T29 PolarHBondContact O-OG1 2.83Å; T25-T43 PolarHBondContact OG1-OG1 2.9Å; T25-D66 WeakPolarHBondContact CA-OD2 3.44Å; T25-D66 VanDerWaalsContact CB-OD2 3.22Å; T25-D66 WeakPolarHBondContact CB-OD2 3.45Å; T25-D66 WeakPolarHBondContact CG2-OD2 3.39Å; T25-D66 PolarHBondContact N-OD1 2.85Å; T25-D66 PolarHBondContact OG1-OD2 3.49Å |
| 26 | S | 98.1 | Very high | 97 | Very high | 35 Ų | 35 | 33.4 Ų | 33.4 | 25% | 0.245 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -38.5 | 179.4 | -49.9 | 0 | 0 | 0 | 0 | 112.9 | G23 K24 R30 | G23-S26 PolarHBondContact O-N 2.98Å; K24-S26 VanDerWaalsContact C-N 3.3Å; K24-S26 PolarHBondContact O-N 3.15Å; S26-R30 WeakPolarHBondContact O-CB 3.44Å; S26-R30 PolarHBondContact O-N 2.8Å |
| 27 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | 174.5 | -76.1 | 170.1 | 0 | 0 | 0 | 111.1 | G23 K24 T25 F31 V90 V122 N124 T153 A155 V161 | G23-L27 WeakPolarHBondContact O-CG 3.19Å; G23-L27 PolarHBondContact O-N 3.43Å; K24-L27 WeakPolarHBondContact O-CB 3.04Å; K24-L27 PolarHBondContact O-N 3.23Å; K24-L27 VanDerWaalsContact O-N 3.17Å; T25-L27 PolarHBondContact O-N 3.02Å; L27-F31 WeakPolarHBondContact O-CB 3.4Å; L27-F31 PolarHBondContact O-N 3.24Å; L27-V90 HydrophobicContact CD1-CG1 3.91Å; L27-V90 HydrophobicContact CD1-CG2 4.05Å; L27-V122 HydrophobicContact CD1-CG1 4.14Å; L27-N124 HydrophobicContact CD1-CB 4.35Å; L27-T153 HydrophobicContact CD2-CG2 4.45Å; L27-T153 WeakPolarHBondContact CD2-OG1 3.16Å; L27-A155 HydrophobicContact CD2-CB 3.93Å; L27-A155 HydrophobicContact CG-CB 4.15Å; L27-V161 HydrophobicContact CD2-CG2 3.76Å |
| 28 | I | 97.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -50.8 | 176.4 | -65.2 | 167.9 | 0 | 0 | 0 | 109.8 | F16 K24 T25 R30 F31 M32 L49 L64 D66 | F16-I28 HydrophobicContact CB-CD1 4.12Å; F16-I28 HydrophobicContact CD1-CD1 4.14Å; F16-I28 HydrophobicContact CD1-CG1 4.02Å; F16-I28 HydrophobicContact CD2-CD1 3.65Å; F16-I28 HydrophobicContact CD2-CG1 3.96Å; F16-I28 HydrophobicContact CE1-CG1 3.98Å; F16-I28 HydrophobicContact CE2-CD1 4.12Å; F16-I28 HydrophobicContact CE2-CG1 3.94Å; F16-I28 HydrophobicContact CG-CD1 3.69Å; F16-I28 HydrophobicContact CG-CG1 4.03Å; F16-I28 HydrophobicContact CZ-CG1 3.96Å; K24-I28 WeakPolarHBondContact O-CG1 3.47Å; K24-I28 PolarHBondContact O-N 2.67Å; T25-I28 PolarHBondContact O-N 3.4Å; I28-R30 PolarHBondContact O-N 2.88Å; I28-F31 CarbonylContact O-C 3.59Å; I28-F31 PolarHBondContact O-N 3.08Å; I28-F31 VanDerWaalsContact O-N 3.15Å; I28-M32 HydrophobicContact CG2-CG 3.84Å; I28-M32 VanDerWaalsContact O-CB 3.25Å; I28-M32 WeakPolarHBondContact O-CB 3.45Å; I28-M32 WeakPolarHBondContact O-CG 3.27Å; I28-M32 PolarHBondContact O-N 3.06Å; I28-L49 HydrophobicContact CG2-CD1 3.55Å; I28-L64 HydrophobicContact CG2-CB 4.46Å; I28-L64 HydrophobicContact CG2-CD1 3.91Å; I28-D66 HydrophobicContact CD1-CB 3.47Å; I28-D66 VanDerWaalsContact CD1-CB 3.47Å |
| 29 | T | 96.4 | Very high | 96 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 20% | 0.202 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 178.2 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | T25 F31 M32 Y33 | T25-T29 WeakPolarHBondContact O-CB 3.4Å; T25-T29 PolarHBondContact O-N 3.29Å; T25-T29 PolarHBondContact O-OG1 2.83Å; T29-F31 VanDerWaalsContact C-N 3.33Å; T29-F31 PolarHBondContact O-N 2.86Å; T29-M32 PolarHBondContact O-N 3.29Å; T29-Y33 HydrophobicContact CG2-CD2 3.87Å; T29-Y33 WeakPolarHBondContact O-CB 3.44Å; T29-Y33 WeakPolarHBondContact O-CD2 3.29Å; T29-Y33 PolarHBondContact O-N 2.93Å |
| 30 | R | 97.4 | Very high | 95.5 | Very high | 40 Ų | 40 | 53.1 Ų | 53.1 | 15% | 0.151 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 175.3 | 173.1 | 57.3 | 70 | -168.5 | -0.1 | 111.2 | S26 I28 D34 S35 F36 A155 K156 V161 | S26-R30 WeakPolarHBondContact O-CB 3.44Å; S26-R30 PolarHBondContact O-N 2.8Å; I28-R30 PolarHBondContact O-N 2.88Å; R30-D34 WeakPolarHBondContact CD-OD1 3.17Å; R30-D34 IonicContact CZ-OD1 3.25Å; R30-D34 PolarHBondContact NH1-O 2.92Å; R30-D34 IonicContact NH1-OD1 3.51Å; R30-D34 PolarHBondContact NH1-OD1 3.29Å; R30-D34 WeakPolarHBondContact O-CA 3.3Å; R30-D34 PolarHBondContact O-N 2.9Å; R30-S35 VanDerWaalsContact CA-O 3.27Å; R30-S35 WeakPolarHBondContact CA-O 3.4Å; R30-S35 PolarHBondContact N-O 3.42Å; R30-F36 VanDerWaalsContact NH2-CB 3.35Å; R30-A155 PolarHBondContact NE-O 2.67Å; R30-K156 PolarHBondContact NH2-O 2.95Å; R30-V161 HydrophobicContact CB-CG1 4.33Å; R30-V161 HydrophobicContact CG-CB 4Å; R30-V161 HydrophobicContact CG-CG1 3.91Å; R30-V161 HydrophobicContact CG-CG2 3.78Å |
| 31 | F | 96.9 | Very high | 95.2 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 9% | 0.088 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 176.7 | 175.6 | -117.2 | 0 | 0 | 0 | 111.7 | L27 I28 T29 K51 M53 L64 V161 F165 | L27-F31 WeakPolarHBondContact O-CB 3.4Å; L27-F31 PolarHBondContact O-N 3.24Å; I28-F31 CarbonylContact O-C 3.59Å; I28-F31 PolarHBondContact O-N 3.08Å; I28-F31 VanDerWaalsContact O-N 3.15Å; T29-F31 VanDerWaalsContact C-N 3.33Å; T29-F31 PolarHBondContact O-N 2.86Å; F31-K51 HydrophobicContact CD1-CD 4.01Å; F31-K51 HydrophobicContact CE1-CB 4.47Å; F31-K51 HydrophobicContact CE1-CD 3.54Å; F31-K51 HydrophobicContact CE1-CG 4.24Å; F31-K51 HydrophobicContact CZ-CD 3.95Å; F31-K51 VanDerWaalsContact CZ-CE 3.47Å; F31-K51 PolarHBondContact O-NZ 3.47Å; F31-M53 HydrophobicContact CE2-SD 4.36Å; F31-M53 HydrophobicContact CZ-CG 4.05Å; F31-M53 HydrophobicContact CZ-SD 3.64Å; F31-L64 HydrophobicContact CD1-CD1 3.95Å; F31-L64 HydrophobicContact CE1-CD1 4.23Å; F31-V161 HydrophobicContact CB-CG1 3.86Å; F31-F165 HydrophobicContact CB-CD2 3.84Å; F31-F165 HydrophobicContact CB-CE2 3.3Å; F31-F165 HydrophobicContact CB-CZ 3.76Å; F31-F165 AromaticContact CD1-CD1 3.85Å; F31-F165 HydrophobicContact CD1-CD1 3.85Å; F31-F165 AromaticContact CD1-CD2 3.91Å; F31-F165 HydrophobicContact CD1-CD2 3.91Å; F31-F165 AromaticContact CD1-CE1 3.57Å; F31-F165 HydrophobicContact CD1-CE1 3.57Å; F31-F165 AromaticContact CD1-CE2 3.7Å; F31-F165 HydrophobicContact CD1-CE2 3.7Å; F31-F165 AromaticContact CD1-CG 4Å; F31-F165 HydrophobicContact CD1-CG 4Å; F31-F165 AromaticContact CD1-CZ 3.49Å; F31-F165 HydrophobicContact CD1-CZ 3.49Å; F31-F165 VanDerWaalsContact CD1-CZ 3.49Å; F31-F165 HydrophobicContact CD2-CB 4.14Å; F31-F165 HydrophobicContact CD2-CD1 4.36Å; F31-F165 AromaticContact CD2-CD2 3.3Å; F31-F165 HydrophobicContact CD2-CD2 3.3Å; F31-F165 AromaticContact CD2-CE2 3.74Å; F31-F165 HydrophobicContact CD2-CE2 3.74Å; F31-F165 AromaticContact CD2-CG 3.68Å; F31-F165 HydrophobicContact CD2-CG 3.68Å; F31-F165 HydrophobicContact CD2-CZ 4.37Å; F31-F165 AromaticContact CE1-CD1 3.62Å; F31-F165 HydrophobicContact CE1-CD1 3.62Å; F31-F165 HydrophobicContact CE1-CD2 4.27Å; F31-F165 AromaticContact CE1-CE1 3.74Å; F31-F165 HydrophobicContact CE1-CE1 3.74Å; F31-F165 HydrophobicContact CE1-CE2 4.42Å; F31-F165 AromaticContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE1-CZ 4.14Å; F31-F165 HydrophobicContact CE2-CB 3.67Å; F31-F165 HydrophobicContact CE2-CD1 4.18Å; F31-F165 AromaticContact CE2-CD2 3.74Å; F31-F165 HydrophobicContact CE2-CD2 3.74Å; F31-F165 HydrophobicContact CE2-CE2 4.46Å; F31-F165 AromaticContact CE2-CG 3.59Å; F31-F165 HydrophobicContact CE2-CG 3.59Å; F31-F165 HydrophobicContact CG-CD1 4.2Å; F31-F165 AromaticContact CG-CD2 3.4Å; F31-F165 HydrophobicContact CG-CD2 3.4Å; F31-F165 HydrophobicContact CG-CE1 4.06Å; F31-F165 AromaticContact CG-CE2 3.29Å; F31-F165 HydrophobicContact CG-CE2 3.29Å; F31-F165 AromaticContact CG-CG 3.88Å; F31-F165 HydrophobicContact CG-CG 3.88Å; F31-F165 AromaticContact CG-CZ 3.61Å; F31-F165 HydrophobicContact CG-CZ 3.61Å; F31-F165 HydrophobicContact CZ-CB 3.91Å; F31-F165 AromaticContact CZ-CD1 3.81Å; F31-F165 HydrophobicContact CZ-CD1 3.81Å; F31-F165 HydrophobicContact CZ-CD2 4.19Å; F31-F165 HydrophobicContact CZ-CE1 4.37Å; F31-F165 AromaticContact CZ-CG 3.69Å; F31-F165 HydrophobicContact CZ-CG 3.69Å |
| 32 | M | 94.8 | Very high | 95 | Very high | 11 Ų | 11 | 54.8 Ų | 54.8 | 5% | 0.054 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.3 | -45.1 | -173.2 | -71.4 | -63.1 | -62 | 0 | 0 | 112.8 | I28 T29 L49 K51 L64 | I28-M32 HydrophobicContact CG2-CG 3.84Å; I28-M32 VanDerWaalsContact O-CB 3.25Å; I28-M32 WeakPolarHBondContact O-CB 3.45Å; I28-M32 WeakPolarHBondContact O-CG 3.27Å; I28-M32 PolarHBondContact O-N 3.06Å; T29-M32 PolarHBondContact O-N 3.29Å; M32-L49 HydrophobicContact CE-CB 4.1Å; M32-L49 HydrophobicContact CG-CD1 4.22Å; M32-L49 HydrophobicContact SD-CB 4.38Å; M32-K51 HydrophobicContact CE-CB 3.95Å; M32-K51 HydrophobicContact CE-CD 4.07Å; M32-K51 PolarHBondContact O-NZ 3.48Å; M32-K51 HydrophobicContact SD-CB 3.59Å; M32-K51 VanDerWaalsContact SD-CB 3.59Å; M32-K51 HydrophobicContact SD-CD 3.33Å; M32-K51 WeakPolarHBondContact SD-CD 3.46Å; M32-K51 HydrophobicContact SD-CG 4.1Å; M32-L64 HydrophobicContact CG-CD1 4.09Å; M32-L64 HydrophobicContact SD-CD1 3.64Å |
| 33 | Y | 94.8 | Very high | 94.4 | Very high | 103 Ų | 103 | 56.1 Ų | 56.1 | 40% | 0.404 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -121.6 | -6.3 | -165.1 | -51.3 | -64 | 0 | 0 | 0 | 114.2 | T29 S35 L49 | T29-Y33 HydrophobicContact CG2-CD2 3.87Å; T29-Y33 WeakPolarHBondContact O-CB 3.44Å; T29-Y33 WeakPolarHBondContact O-CD2 3.29Å; T29-Y33 PolarHBondContact O-N 2.93Å; Y33-S35 PolarHBondContact O-N 2.85Å; Y33-L49 HydrophobicContact CE2-CD1 4.47Å; Y33-L49 VanDerWaalsContact OH-CD2 3.22Å; Y33-L49 WeakPolarHBondContact OH-CD2 3.41Å |
| 34 | D | 95.3 | Very high | 93.9 | Very high | 102 Ų | 102 | 61.6 Ų | 61.6 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 52.4 | 40.8 | -171.3 | -154.9 | 9.3 | 0 | 0 | 0 | 113.1 | R30 | R30-D34 WeakPolarHBondContact CD-OD1 3.17Å; R30-D34 IonicContact CZ-OD1 3.25Å; R30-D34 PolarHBondContact NH1-O 2.92Å; R30-D34 IonicContact NH1-OD1 3.51Å; R30-D34 PolarHBondContact NH1-OD1 3.29Å; R30-D34 WeakPolarHBondContact O-CA 3.3Å; R30-D34 PolarHBondContact O-N 2.9Å |
| 35 | S | 95.4 | Very high | 93.5 | Very high | 52 Ų | 52 | 61.7 Ų | 61.7 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | trans | -131.7 | 163.4 | 178 | 66 | 0 | 0 | 0 | 0 | 111.4 | R30 Y33 | R30-S35 VanDerWaalsContact CA-O 3.27Å; R30-S35 WeakPolarHBondContact CA-O 3.4Å; R30-S35 PolarHBondContact N-O 3.42Å; Y33-S35 PolarHBondContact O-N 2.85Å | ||
| 36 | F | 95.5 | Very high | 93.3 | Very high | 61 Ų | 61 | 61.1 Ų | 61.1 | 27% | 0.268 | 32% | 0.318 | S | S | . | . | trans | -139.5 | 129.9 | 173 | 178.7 | -93.3 | 0 | 0 | 0 | 108.7 | R30 N38 A155 K156 | R30-F36 VanDerWaalsContact NH2-CB 3.35Å; F36-N38 WeakPolarHBondContact CE1-OD1 3.42Å; F36-A155 HydrophobicContact CD2-CB 4.2Å; F36-A155 HydrophobicContact CE2-CB 4.25Å; F36-K156 HydrophobicContact CD1-CB 4.26Å; F36-K156 HydrophobicContact CD1-CG 3.89Å; F36-K156 HydrophobicContact CD2-CB 4.11Å; F36-K156 HydrophobicContact CE1-CB 4.07Å; F36-K156 HydrophobicContact CE1-CD 4.27Å; F36-K156 HydrophobicContact CE1-CG 3.76Å; F36-K156 HydrophobicContact CE2-CB 3.91Å; F36-K156 HydrophobicContact CE2-CG 4.5Å; F36-K156 HydrophobicContact CG-CB 4.28Å; F36-K156 HydrophobicContact CG-CG 4.32Å; F36-K156 HydrophobicContact CZ-CB 3.9Å; F36-K156 HydrophobicContact CZ-CG 4.09Å | ||
| 37 | D | 92.2 | Very high | 93.1 | Very high | 98 Ų | 98 | 63.6 Ų | 63.6 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | trans | -92.7 | 127.3 | 172.2 | -168.3 | -11.8 | 0 | 0 | 0 | 109.2 | T39 | D37-T39 VanDerWaalsContact C-N 3.25Å; D37-T39 WeakPolarHBondContact OD1-CB 3.27Å; D37-T39 PolarHBondContact OD1-N 3.44Å; D37-T39 PolarHBondContact OD1-OG1 3.38Å | ||
| 38 | N | 90.9 | Very high | 92.9 | Very high | 129 Ų | 129 | 66.4 Ų | 66.4 | 69% | 0.69 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -77.5 | -15.6 | 176.4 | -67.8 | -65.8 | 0 | 0 | 0 | 112.3 | F36 | F36-N38 WeakPolarHBondContact CE1-OD1 3.42Š|
| 39 | T | 90.2 | Very high | 92.8 | Very high | 85 Ų | 85 | 68 Ų | 68 | 52% | 0.521 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -86.4 | 114.6 | 178 | -46.4 | 0 | 0 | 0 | 0 | 109.2 | D37 Q41 | D37-T39 VanDerWaalsContact C-N 3.25Å; D37-T39 WeakPolarHBondContact OD1-CB 3.27Å; D37-T39 PolarHBondContact OD1-N 3.44Å; D37-T39 PolarHBondContact OD1-OG1 3.38Å; T39-Q41 PolarHBondContact O-N 2.99Å |
| 40 | Y | 88 | Confident | 92.7 | Very high | 133 Ų | 133 | 67 Ų | 67 | 52% | 0.522 | 34% | 0.343 | S | S | . | . | trans | -70.1 | 123.3 | 172.7 | 176.1 | -110.5 | 0 | 0 | 0 | 110.3 | A42 | Y40-A42 HydrophobicContact CE1-CB 4.17Š| ||
| 41 | Q | 89.6 | Confident | 92.3 | Very high | 141 Ų | 141 | 65.5 Ų | 65.5 | 66% | 0.659 | 34% | 0.338 | S | S | * | . | trans | -122.3 | 125.3 | 169 | -66.7 | -64.1 | -31.4 | 0 | 0 | 108 | T39 T43 | T39-Q41 PolarHBondContact O-N 2.99Å; Q41-T43 PolarHBondContact O-N 3.26Å | ||
| 42 | A | 91.5 | Very high | 92.1 | Very high | 39 Ų | 39 | 64.7 Ų | 64.7 | 32% | 0.322 | 34% | 0.335 | S | S | . | . | trans | -71.7 | 124.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110 | Y40 I44 | Y40-A42 HydrophobicContact CE1-CB 4.17Å; A42-I44 PolarHBondContact O-N 3.5Å | ||
| 43 | T | 85.7 | Confident | 91.8 | Very high | 30 Ų | 30 | 64.9 Ų | 64.9 | 18% | 0.184 | 34% | 0.335 | C | S | . | . | trans | -59.7 | 130.5 | 171.8 | -38.5 | 0 | 0 | 0 | 0 | 109.6 | T25 Q41 A68 | T25-T43 PolarHBondContact OG1-OG1 2.9Å; Q41-T43 PolarHBondContact O-N 3.26Å; T43-A68 WeakPolarHBondContact O-CB 3.41Å | ||
| 44 | I | 86.9 | Confident | 91.4 | Very high | 124 Ų | 124 | 64.1 Ų | 64.1 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | trans | -104.8 | 124.6 | 176.1 | -69.1 | 170.3 | 0 | 0 | 0 | 108 | A42 I46 F73 | A42-I44 PolarHBondContact O-N 3.5Å; I44-I46 PolarHBondContact O-N 2.61Å; I44-F73 HydrophobicContact CB-CE2 4.47Å; I44-F73 HydrophobicContact CB-CZ 4.14Å; I44-F73 HydrophobicContact CG1-CE2 4.48Å; I44-F73 HydrophobicContact CG1-CZ 4.3Å; I44-F73 HydrophobicContact CG2-CE1 4.07Å; I44-F73 HydrophobicContact CG2-CE2 4.4Å; I44-F73 HydrophobicContact CG2-CZ 3.62Å | ||
| 45 | G | 90.8 | Very high | 90.8 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 66.4 | -126 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A68 | G45-A68 WeakPolarHBondContact O-CB 3.49Å; G45-A68 PolarHBondContact O-N 2.92Å |
| 46 | I | 92.1 | Very high | 90.1 | Very high | 35 Ų | 35 | 64.5 Ų | 64.5 | 18% | 0.179 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 132.3 | -176.5 | -63 | 173.6 | 0 | 0 | 0 | 108.5 | I44 W65 D66 T67 L76 Y80 | I44-I46 PolarHBondContact O-N 2.61Å; I46-W65 HydrophobicContact CG2-CE3 3.85Å; I46-D66 CarbonylContact C-O 3.45Å; I46-D66 VanDerWaalsContact CA-O 3.26Å; I46-D66 WeakPolarHBondContact CA-O 3.33Å; I46-D66 WeakPolarHBondContact CG2-O 3.5Å; I46-T67 HydrophobicContact CD1-CG2 4.41Å; I46-T67 HydrophobicContact CG1-CG2 4.27Å; I46-L76 HydrophobicContact CD1-CB 3.78Å; I46-Y80 HydrophobicContact CD1-CD1 4.5Å; I46-Y80 HydrophobicContact CD1-CD2 3.23Å; I46-Y80 HydrophobicContact CD1-CE1 4.45Å; I46-Y80 HydrophobicContact CD1-CE2 3.17Å; I46-Y80 HydrophobicContact CD1-CG 3.91Å; I46-Y80 HydrophobicContact CG1-CE2 4.41Å; I46-Y80 HydrophobicContact CG2-CD1 4.23Å; I46-Y80 HydrophobicContact CG2-CE1 4.03Å |
| 47 | D | 94 | Very high | 89.3 | Confident | 87 Ų | 87 | 65.5 Ų | 65.5 | 47% | 0.465 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 156.3 | 176.6 | -164.1 | 13 | 0 | 0 | 0 | 111.2 | W65 D66 | D47-W65 WeakPolarHBondContact O-CA 3.31Å; D47-D66 HydrophobicContact CB-CB 4.28Å; D47-D66 PolarHBondContact N-O 3.43Å; D47-D66 PolarHBondContact O-N 3.25Å |
| 48 | F | 94.3 | Very high | 88.8 | Confident | 59 Ų | 59 | 62.6 Ų | 62.6 | 26% | 0.259 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 124.6 | -174.4 | 171.5 | -103.7 | 0 | 0 | 0 | 111.9 | Q63 L64 W65 | F48-Q63 HydrophobicContact CE2-CB 3.76Å; F48-Q63 HydrophobicContact CE2-CG 3.77Å; F48-Q63 HydrophobicContact CZ-CB 4.46Å; F48-Q63 HydrophobicContact CZ-CG 3.99Å; F48-L64 WeakPolarHBondContact CA-O 3.35Å; F48-W65 HydrophobicContact CB-CE3 3.95Å; F48-W65 HydrophobicContact CB-CH2 4.29Å; F48-W65 HydrophobicContact CB-CZ3 3.72Å; F48-W65 AromaticContact CD2-CD2 3.94Å; F48-W65 HydrophobicContact CD2-CD2 3.94Å; F48-W65 AromaticContact CD2-CE2 3.77Å; F48-W65 HydrophobicContact CD2-CE3 4.01Å; F48-W65 AromaticContact CD2-CH2 3.87Å; F48-W65 HydrophobicContact CD2-CH2 3.87Å; F48-W65 AromaticContact CD2-CZ2 3.76Å; F48-W65 HydrophobicContact CD2-CZ2 3.76Å; F48-W65 AromaticContact CD2-CZ3 3.96Å; F48-W65 HydrophobicContact CD2-CZ3 3.96Å; F48-W65 HydrophobicContact CE2-CZ2 4.14Å; F48-W65 HydrophobicContact CG-CE3 4.42Å; F48-W65 HydrophobicContact CG-CH2 4.22Å; F48-W65 HydrophobicContact CG-CZ3 4.12Å |
| 49 | L | 95.2 | Very high | 88.6 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.5 | 174.7 | -71.2 | 168.3 | 0 | 0 | 0 | 110.5 | I28 M32 Y33 L64 | I28-L49 HydrophobicContact CG2-CD1 3.55Å; M32-L49 HydrophobicContact CE-CB 4.1Å; M32-L49 HydrophobicContact CG-CD1 4.22Å; M32-L49 HydrophobicContact SD-CB 4.38Å; Y33-L49 HydrophobicContact CE2-CD1 4.47Å; Y33-L49 VanDerWaalsContact OH-CD2 3.22Å; Y33-L49 WeakPolarHBondContact OH-CD2 3.41Å; L49-L64 HydrophobicContact CB-CB 4.41Å; L49-L64 PolarHBondContact N-O 3.23Å; L49-L64 WeakPolarHBondContact O-CB 2.99Å; L49-L64 PolarHBondContact O-N 2.91Å |
| 50 | S | 94.5 | Very high | 88.6 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 8% | 0.077 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.1 | 179 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | R61 L62 | S50-R61 WeakPolarHBondContact OG-CD 3.5Å; S50-R61 WeakPolarHBondContact OG-CG 3.36Å; S50-L62 CarbonylContact C-O 3.51Å; S50-L62 VanDerWaalsContact CA-O 3.32Å; S50-L62 WeakPolarHBondContact CA-O 3.25Å |
| 51 | K | 90.5 | Very high | 88.8 | Confident | 9 Ų | 9 | 50.7 Ų | 50.7 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 131.6 | -179.8 | -175.2 | 154.5 | 157.8 | 140.4 | 0 | 111.7 | F31 M32 L62 V191 | F31-K51 HydrophobicContact CD1-CD 4.01Å; F31-K51 HydrophobicContact CE1-CB 4.47Å; F31-K51 HydrophobicContact CE1-CD 3.54Å; F31-K51 HydrophobicContact CE1-CG 4.24Å; F31-K51 HydrophobicContact CZ-CD 3.95Å; F31-K51 VanDerWaalsContact CZ-CE 3.47Å; F31-K51 PolarHBondContact O-NZ 3.47Å; M32-K51 HydrophobicContact CE-CB 3.95Å; M32-K51 HydrophobicContact CE-CD 4.07Å; M32-K51 PolarHBondContact O-NZ 3.48Å; M32-K51 HydrophobicContact SD-CB 3.59Å; M32-K51 VanDerWaalsContact SD-CB 3.59Å; M32-K51 HydrophobicContact SD-CD 3.33Å; M32-K51 WeakPolarHBondContact SD-CD 3.46Å; M32-K51 HydrophobicContact SD-CG 4.1Å; K51-L62 PolarHBondContact N-O 3.01Å; K51-L62 PolarHBondContact O-N 2.8Å; K51-V191 HydrophobicContact CD-CG1 3.57Å; K51-V191 HydrophobicContact CG-CG1 3.63Å |
| 52 | T | 91.9 | Very high | 89 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 122.3 | 171.1 | -57 | 0 | 0 | 0 | 0 | 108.4 | Y54 T59 V60 V192 | T52-Y54 HydrophobicContact CG2-CD2 4.36Å; T52-Y54 HydrophobicContact CG2-CE2 3.82Å; T52-T59 HydrophobicContact CG2-CG2 3.26Å; T52-V60 WeakPolarHBondContact CA-O 3.43Å; T52-V192 PolarHBondContact N-O 3.13Å |
| 53 | M | 88.5 | Confident | 89.2 | Confident | 14 Ų | 14 | 43.8 Ų | 43.8 | 7% | 0.069 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 129.5 | 169.5 | -80.2 | -175.1 | 58.2 | 0 | 0 | 109.1 | F31 L55 T59 V60 L62 F165 A169 | F31-M53 HydrophobicContact CE2-SD 4.36Å; F31-M53 HydrophobicContact CZ-CG 4.05Å; F31-M53 HydrophobicContact CZ-SD 3.64Å; M53-L55 HydrophobicContact CE-CD2 3.96Å; M53-T59 WeakPolarHBondContact O-CA 3.04Å; M53-V60 HydrophobicContact CB-CG2 3.94Å; M53-V60 PolarHBondContact N-O 2.95Å; M53-V60 PolarHBondContact O-N 3.09Å; M53-L62 HydrophobicContact CG-CD1 4.22Å; M53-L62 HydrophobicContact CG-CG 4.42Å; M53-L62 HydrophobicContact SD-CD1 3.3Å; M53-L62 WeakPolarHBondContact SD-CD1 3.16Å; M53-L62 HydrophobicContact SD-CG 4.02Å; M53-F165 HydrophobicContact SD-CB 4.32Å; M53-A169 HydrophobicContact CE-CB 4.13Å |
| 54 | Y | 86.3 | Confident | 89.8 | Confident | 87 Ų | 87 | 42.4 Ų | 42.4 | 34% | 0.341 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 123.3 | 169.9 | -59.1 | -98.9 | 0 | 0 | 0 | 105.7 | T52 T59 F189 Y190 V192 | T52-Y54 HydrophobicContact CG2-CD2 4.36Å; T52-Y54 HydrophobicContact CG2-CE2 3.82Å; Y54-T59 HydrophobicContact CD1-CG2 3.93Å; Y54-T59 WeakPolarHBondContact CD1-OG1 3.18Å; Y54-T59 HydrophobicContact CE1-CG2 3.95Å; Y54-T59 HydrophobicContact CG-CG2 4.39Å; Y54-F189 WeakPolarHBondContact O-CD1 3.1Å; Y54-Y190 WeakPolarHBondContact CD2-O 3.23Å; Y54-V192 HydrophobicContact CE2-CB 3.86Å; Y54-V192 HydrophobicContact CE2-CG2 3.64Å |
| 55 | L | 82.3 | Confident | 90.2 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | trans | -107.3 | 169.9 | 172.1 | -58.1 | 165.1 | 0 | 0 | 0 | 107.3 | M53 D57 R58 V60 A169 M175 | M53-L55 HydrophobicContact CE-CD2 3.96Å; L55-D57 PolarHBondContact O-N 3.16Å; L55-R58 CarbonylContact C-O 3.52Å; L55-R58 WeakPolarHBondContact CA-O 3.45Å; L55-R58 HydrophobicContact CB-CG 4.26Å; L55-R58 VanDerWaalsContact CB-O 3.3Å; L55-R58 WeakPolarHBondContact CB-O 3.4Å; L55-R58 HydrophobicContact CD1-CG 4Å; L55-R58 PolarHBondContact N-O 3.11Å; L55-V60 HydrophobicContact CD1-CG1 4.07Å; L55-V60 HydrophobicContact CD1-CG2 3.86Å; L55-V60 HydrophobicContact CG-CG2 4.49Å; L55-A169 HydrophobicContact CD1-CB 4.15Å; L55-A169 HydrophobicContact CD2-CB 3.89Å; L55-M175 HydrophobicContact CD1-CE 3.6Å; L55-M175 HydrophobicContact CD2-CE 4.41Å; L55-M175 HydrophobicContact CG-CE 4.46Å | ||
| 56 | E | 80.2 | Confident | 90.5 | Very high | 139 Ų | 139 | 38.6 Ų | 38.6 | 65% | 0.65 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -60.8 | -35.8 | -174.9 | -63.9 | -173.1 | 175.8 | 0 | 0 | 112.9 | F189 | E56-F189 HydrophobicContact CG-CE1 4.12Å; E56-F189 HydrophobicContact CG-CZ 4.31Å |
| 57 | D | 78.8 | Confident | 90.6 | Very high | 81 Ų | 81 | 37 Ų | 37 | 43% | 0.433 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -105.8 | -20.9 | -172.5 | 64.7 | -38.2 | 0 | 0 | 0 | 113.4 | L55 | L55-D57 PolarHBondContact O-N 3.16Š|
| 58 | R | 81.7 | Confident | 90.4 | Very high | 37 Ų | 37 | 32.9 Ų | 32.9 | 14% | 0.14 | 15% | 0.154 | C | C | . | . | trans | -155.4 | 160.7 | -172.5 | 66.7 | -166.8 | -174.4 | 170.8 | 3.2 | 113.7 | L55 V60 L172 P173 G174 | L55-R58 CarbonylContact C-O 3.52Å; L55-R58 WeakPolarHBondContact CA-O 3.45Å; L55-R58 HydrophobicContact CB-CG 4.26Å; L55-R58 VanDerWaalsContact CB-O 3.3Å; L55-R58 WeakPolarHBondContact CB-O 3.4Å; L55-R58 HydrophobicContact CD1-CG 4Å; L55-R58 PolarHBondContact N-O 3.11Å; R58-V60 HydrophobicContact CG-CG1 4Å; R58-L172 PolarHBondContact NH2-O 3.14Å; R58-P173 PolarHBondContact NH1-O 3.4Å; R58-G174 PolarHBondContact NH1-O 3.12Å | ||
| 59 | T | 87.3 | Confident | 89.8 | Confident | 49 Ų | 49 | 30.4 Ų | 30.4 | 30% | 0.301 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.3 | 168.2 | -57.1 | 0 | 0 | 0 | 0 | 109.2 | L9 T52 M53 Y54 | L9-T59 HydrophobicContact CD2-CG2 3.59Å; L9-T59 WeakPolarHBondContact CD2-O 3.45Å; T52-T59 HydrophobicContact CG2-CG2 3.26Å; M53-T59 WeakPolarHBondContact O-CA 3.04Å; Y54-T59 HydrophobicContact CD1-CG2 3.93Å; Y54-T59 WeakPolarHBondContact CD1-OG1 3.18Å; Y54-T59 HydrophobicContact CE1-CG2 3.95Å; Y54-T59 HydrophobicContact CG-CG2 4.39Å |
| 60 | V | 89.4 | Confident | 89.5 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 148.6 | 179.3 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | F12 T52 M53 L55 R58 L62 | F12-V60 HydrophobicContact CD2-CB 4.1Å; F12-V60 HydrophobicContact CD2-CG1 4.23Å; F12-V60 HydrophobicContact CE2-CB 4.18Å; F12-V60 HydrophobicContact CE2-CG1 3.8Å; T52-V60 WeakPolarHBondContact CA-O 3.43Å; M53-V60 HydrophobicContact CB-CG2 3.94Å; M53-V60 PolarHBondContact N-O 2.95Å; M53-V60 PolarHBondContact O-N 3.09Å; L55-V60 HydrophobicContact CD1-CG1 4.07Å; L55-V60 HydrophobicContact CD1-CG2 3.86Å; L55-V60 HydrophobicContact CG-CG2 4.49Å; R58-V60 HydrophobicContact CG-CG1 4Å; V60-L62 HydrophobicContact CG2-CD2 4.15Å |
| 61 | R | 92.5 | Very high | 89.1 | Confident | 48 Ų | 48 | 37.2 Ų | 37.2 | 18% | 0.181 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 114.8 | 171.5 | -174.8 | 174.1 | -66.7 | -147.9 | 8.7 | 109.4 | R10 K11 F12 S50 | R10-R61 PolarHBondContact O-N 3.28Å; K11-R61 CarbonylContact C-O 3.6Å; K11-R61 VanDerWaalsContact CA-O 3.31Å; K11-R61 WeakPolarHBondContact CA-O 3.45Å; K11-R61 HydrophobicContact CG-CB 4.25Å; F12-R61 PolarHBondContact N-O 2.87Å; S50-R61 WeakPolarHBondContact OG-CD 3.5Å; S50-R61 WeakPolarHBondContact OG-CG 3.36Å |
| 62 | L | 94.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 131.2 | 171.9 | -57.9 | -166.9 | 0 | 0 | 0 | 109.9 | F12 L14 S50 K51 M53 V60 L64 F165 L172 | F12-L62 HydrophobicContact CB-CD2 4.11Å; F12-L62 WeakPolarHBondContact O-CA 3.46Å; L14-L62 HydrophobicContact CD1-CD2 4.03Å; L14-L62 HydrophobicContact CD2-CD1 4.16Å; S50-L62 CarbonylContact C-O 3.51Å; S50-L62 VanDerWaalsContact CA-O 3.32Å; S50-L62 WeakPolarHBondContact CA-O 3.25Å; K51-L62 PolarHBondContact N-O 3.01Å; K51-L62 PolarHBondContact O-N 2.8Å; M53-L62 HydrophobicContact CG-CD1 4.22Å; M53-L62 HydrophobicContact CG-CG 4.42Å; M53-L62 HydrophobicContact SD-CD1 3.3Å; M53-L62 WeakPolarHBondContact SD-CD1 3.16Å; M53-L62 HydrophobicContact SD-CG 4.02Å; V60-L62 HydrophobicContact CG2-CD2 4.15Å; L62-L64 HydrophobicContact CB-CD2 3.95Å; L62-F165 HydrophobicContact CD1-CD1 4Å; L62-L172 HydrophobicContact CD2-CD1 4.21Å |
| 63 | Q | 96.1 | Very high | 89.2 | Confident | 34 Ų | 34 | 45.6 Ų | 45.6 | 16% | 0.159 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 105.6 | 172.8 | -77.3 | -169.5 | -27.5 | 0 | 0 | 107.6 | F12 K13 L14 F48 | F12-Q63 PolarHBondContact O-N 2.75Å; K13-Q63 CarbonylContact C-O 3.6Å; K13-Q63 WeakPolarHBondContact CA-O 3.42Å; K13-Q63 HydrophobicContact CG-CB 3.96Å; L14-Q63 PolarHBondContact N-O 3.27Å; F48-Q63 HydrophobicContact CE2-CB 3.76Å; F48-Q63 HydrophobicContact CE2-CG 3.77Å; F48-Q63 HydrophobicContact CZ-CB 4.46Å; F48-Q63 HydrophobicContact CZ-CG 3.99Å |
| 64 | L | 97.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.2 | -175.3 | -46.7 | -177.9 | 0 | 0 | 0 | 108.7 | L14 F16 I28 F31 M32 F48 L49 L62 F165 | L14-L64 HydrophobicContact CB-CD2 3.99Å; L14-L64 HydrophobicContact CD2-CD2 3.73Å; L14-L64 HydrophobicContact CG-CD2 4.35Å; F16-L64 HydrophobicContact CE2-CB 4.47Å; F16-L64 HydrophobicContact CE2-CD2 4.21Å; I28-L64 HydrophobicContact CG2-CB 4.46Å; I28-L64 HydrophobicContact CG2-CD1 3.91Å; F31-L64 HydrophobicContact CD1-CD1 3.95Å; F31-L64 HydrophobicContact CE1-CD1 4.23Å; M32-L64 HydrophobicContact CG-CD1 4.09Å; M32-L64 HydrophobicContact SD-CD1 3.64Å; F48-L64 WeakPolarHBondContact CA-O 3.35Å; L49-L64 HydrophobicContact CB-CB 4.41Å; L49-L64 PolarHBondContact N-O 3.23Å; L49-L64 WeakPolarHBondContact O-CB 2.99Å; L49-L64 PolarHBondContact O-N 2.91Å; L62-L64 HydrophobicContact CB-CD2 3.95Å; L64-F165 HydrophobicContact CD1-CE1 4.25Å; L64-F165 HydrophobicContact CD2-CE1 3.88Å |
| 65 | W | 96.9 | Very high | 89.6 | Confident | 49 Ų | 49 | 47.8 Ų | 47.8 | 19% | 0.186 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 103.9 | 175.6 | -64.7 | 98.1 | 0 | 0 | 0 | 108.8 | L14 V15 F16 I46 D47 F48 Y80 | L14-W65 PolarHBondContact O-N 3.06Å; V15-W65 HydrophobicContact CB-CB 4.39Å; V15-W65 HydrophobicContact CG2-CB 4.3Å; F16-W65 PolarHBondContact N-O 3.15Å; I46-W65 HydrophobicContact CG2-CE3 3.85Å; D47-W65 WeakPolarHBondContact O-CA 3.31Å; F48-W65 HydrophobicContact CB-CE3 3.95Å; F48-W65 HydrophobicContact CB-CH2 4.29Å; F48-W65 HydrophobicContact CB-CZ3 3.72Å; F48-W65 AromaticContact CD2-CD2 3.94Å; F48-W65 HydrophobicContact CD2-CD2 3.94Å; F48-W65 AromaticContact CD2-CE2 3.77Å; F48-W65 HydrophobicContact CD2-CE3 4.01Å; F48-W65 AromaticContact CD2-CH2 3.87Å; F48-W65 HydrophobicContact CD2-CH2 3.87Å; F48-W65 AromaticContact CD2-CZ2 3.76Å; F48-W65 HydrophobicContact CD2-CZ2 3.76Å; F48-W65 AromaticContact CD2-CZ3 3.96Å; F48-W65 HydrophobicContact CD2-CZ3 3.96Å; F48-W65 HydrophobicContact CE2-CZ2 4.14Å; F48-W65 HydrophobicContact CG-CE3 4.42Å; F48-W65 HydrophobicContact CG-CH2 4.22Å; F48-W65 HydrophobicContact CG-CZ3 4.12Å; W65-Y80 AromaticContact CD2-CD1 3.64Å; W65-Y80 HydrophobicContact CD2-CD1 3.64Å; W65-Y80 HydrophobicContact CD2-CE1 4Å; W65-Y80 AromaticContact CE3-CD1 3.5Å; W65-Y80 HydrophobicContact CE3-CD1 3.5Å; W65-Y80 AromaticContact CE3-CE1 3.4Å; W65-Y80 HydrophobicContact CE3-CE1 3.4Å; W65-Y80 HydrophobicContact CG-CD1 4.15Å; W65-Y80 HydrophobicContact CH2-CD1 4.31Å; W65-Y80 AromaticContact CH2-CE1 3.83Å; W65-Y80 HydrophobicContact CH2-CE1 3.83Å; W65-Y80 HydrophobicContact CZ2-CD1 4.44Å; W65-Y80 HydrophobicContact CZ2-CE1 4.38Å; W65-Y80 AromaticContact CZ3-CD1 3.88Å; W65-Y80 HydrophobicContact CZ3-CD1 3.88Å; W65-Y80 AromaticContact CZ3-CE1 3.32Å; W65-Y80 HydrophobicContact CZ3-CE1 3.32Å |
| 66 | D | 96.3 | Very high | 90.1 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 122.3 | 175.4 | -170.4 | 24 | 0 | 0 | 0 | 109.4 | K24 T25 I28 I46 D47 | K24-D66 WeakPolarHBondContact CB-OD1 3.35Å; T25-D66 WeakPolarHBondContact CA-OD2 3.44Å; T25-D66 VanDerWaalsContact CB-OD2 3.22Å; T25-D66 WeakPolarHBondContact CB-OD2 3.45Å; T25-D66 WeakPolarHBondContact CG2-OD2 3.39Å; T25-D66 PolarHBondContact N-OD1 2.85Å; T25-D66 PolarHBondContact OG1-OD2 3.49Å; I28-D66 HydrophobicContact CD1-CB 3.47Å; I28-D66 VanDerWaalsContact CD1-CB 3.47Å; I46-D66 CarbonylContact C-O 3.45Å; I46-D66 VanDerWaalsContact CA-O 3.26Å; I46-D66 WeakPolarHBondContact CA-O 3.33Å; I46-D66 WeakPolarHBondContact CG2-O 3.5Å; D47-D66 HydrophobicContact CB-CB 4.28Å; D47-D66 PolarHBondContact N-O 3.43Å; D47-D66 PolarHBondContact O-N 3.25Å |
| 67 | T | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 146.1 | -178.5 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | V15 F16 L17 K24 I46 G69 I77 | V15-T67 HydrophobicContact CG2-CG2 3.64Å; F16-T67 WeakPolarHBondContact O-CB 3.26Å; F16-T67 WeakPolarHBondContact O-CG2 3.43Å; F16-T67 PolarHBondContact O-OG1 2.84Å; L17-T67 HydrophobicContact CD2-CG2 4.03Å; K24-T67 WeakPolarHBondContact CE-O 3.14Å; I46-T67 HydrophobicContact CD1-CG2 4.41Å; I46-T67 HydrophobicContact CG1-CG2 4.27Å; T67-G69 PolarHBondContact O-N 2.98Å; T67-I77 HydrophobicContact CG2-CG1 4.35Å |
| 68 | A | 90.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 132.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | T43 G45 Q70 F73 | T43-A68 WeakPolarHBondContact O-CB 3.41Å; G45-A68 WeakPolarHBondContact O-CB 3.49Å; G45-A68 PolarHBondContact O-N 2.92Å; A68-Q70 VanDerWaalsContact C-N 3.29Å; A68-F73 HydrophobicContact CB-CB 3.87Å; A68-F73 HydrophobicContact CB-CD2 3.46Å; A68-F73 VanDerWaalsContact CB-CD2 3.46Å; A68-F73 HydrophobicContact CB-CE2 4.26Å; A68-F73 HydrophobicContact CB-CG 3.96Å |
| 69 | G | 81.7 | Confident | 92.2 | Very high | 7 Ų | 7 | 43 Ų | 43 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | trans | -85 | 1.5 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q20 T67 | Q20-G69 PolarHBondContact N-O 3.15Å; T67-G69 PolarHBondContact O-N 2.98Å | ||
| 70 | Q | 89 | Confident | 92.5 | Very high | 44 Ų | 44 | 44 Ų | 44 | 21% | 0.206 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -80.1 | 137.7 | 178.1 | -65.6 | 178.8 | 54.8 | 0 | 0 | 110.3 | Q20 A68 R72 F73 | Q20-Q70 HydrophobicContact CB-CG 4.49Å; A68-Q70 VanDerWaalsContact C-N 3.29Å; Q70-R72 VanDerWaalsContact C-N 3.29Å; Q70-R72 HydrophobicContact CB-CG 4.27Å; Q70-R72 PolarHBondContact O-N 2.91Å; Q70-F73 HydrophobicContact CB-CD2 3.94Å; Q70-F73 HydrophobicContact CB-CE2 4.4Å; Q70-F73 PolarHBondContact O-N 2.99Å; Q70-F73 VanDerWaalsContact O-N 3.09Å |
| 71 | E | 85.8 | Confident | 92.8 | Very high | 146 Ų | 146 | 44.1 Ų | 44.1 | 68% | 0.682 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -56.6 | -39.9 | -178 | 170.1 | -87.7 | 176.4 | 0 | 0 | 113 | F73 R74 | E71-F73 PolarHBondContact O-N 3.2Å; E71-R74 WeakPolarHBondContact O-CB 3.48Å; E71-R74 PolarHBondContact O-N 2.93Å |
| 72 | R | 91.5 | Very high | 93 | Very high | 159 Ų | 159 | 48.1 Ų | 48.1 | 60% | 0.6 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -56.8 | -17.6 | 177.4 | 77.1 | -175.7 | -145.8 | 176.5 | 6.8 | 115.7 | Q70 | Q70-R72 VanDerWaalsContact C-N 3.29Å; Q70-R72 HydrophobicContact CB-CG 4.27Å; Q70-R72 PolarHBondContact O-N 2.91Å |
| 73 | F | 92.1 | Very high | 92.8 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -105.9 | -1 | 177.8 | -60.5 | -62.1 | 0 | 0 | 0 | 113.5 | I44 A68 Q70 E71 S75 L76 | I44-F73 HydrophobicContact CB-CE2 4.47Å; I44-F73 HydrophobicContact CB-CZ 4.14Å; I44-F73 HydrophobicContact CG1-CE2 4.48Å; I44-F73 HydrophobicContact CG1-CZ 4.3Å; I44-F73 HydrophobicContact CG2-CE1 4.07Å; I44-F73 HydrophobicContact CG2-CE2 4.4Å; I44-F73 HydrophobicContact CG2-CZ 3.62Å; A68-F73 HydrophobicContact CB-CB 3.87Å; A68-F73 HydrophobicContact CB-CD2 3.46Å; A68-F73 VanDerWaalsContact CB-CD2 3.46Å; A68-F73 HydrophobicContact CB-CE2 4.26Å; A68-F73 HydrophobicContact CB-CG 3.96Å; Q70-F73 HydrophobicContact CB-CD2 3.94Å; Q70-F73 HydrophobicContact CB-CE2 4.4Å; Q70-F73 PolarHBondContact O-N 2.99Å; Q70-F73 VanDerWaalsContact O-N 3.09Å; E71-F73 PolarHBondContact O-N 3.2Å; F73-S75 PolarHBondContact O-N 3.29Å; F73-L76 WeakPolarHBondContact O-CB 3.42Å; F73-L76 PolarHBondContact O-N 2.93Å; F73-L76 VanDerWaalsContact O-N 3.12Å |
| 74 | R | 90.9 | Very high | 92.9 | Very high | 44 Ų | 44 | 50.8 Ų | 50.8 | 17% | 0.166 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -59.7 | -29.9 | -175.7 | -89 | -172.3 | 146.3 | 110.7 | -6.3 | 113.5 | E19 E71 L76 I77 P78 W105 | E19-R74 IonicContact OE1-CZ 3.66Å; E19-R74 IonicContact OE1-NH1 2.76Å; E19-R74 PolarHBondContact OE1-NH1 3.3Å; E19-R74 IonicContact OE1-NH2 3.88Å; E19-R74 PolarHBondContact OE1-NH2 3.22Å; E71-R74 WeakPolarHBondContact O-CB 3.48Å; E71-R74 PolarHBondContact O-N 2.93Å; R74-L76 PolarHBondContact O-N 3.12Å; R74-L76 VanDerWaalsContact O-N 3.14Å; R74-I77 HydrophobicContact CG-CD1 4.29Å; R74-I77 WeakPolarHBondContact O-CB 3.38Å; R74-I77 PolarHBondContact O-N 3.38Å; R74-I77 VanDerWaalsContact O-N 3.11Å; R74-P78 WeakPolarHBondContact O-CD 2.86Å; R74-W105 HydrophobicContact CG-CH2 4.06Å; R74-W105 VanDerWaalsContact NH2-NE1 3.18Å |
| 75 | S | 93.2 | Very high | 92.8 | Very high | 103 Ų | 103 | 52.3 Ų | 52.3 | 72% | 0.72 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -61.5 | -20.2 | 178.7 | 57.3 | 0 | 0 | 0 | 0 | 114 | F73 | F73-S75 PolarHBondContact O-N 3.29Š|
| 76 | L | 92.2 | Very high | 92.9 | Very high | 78 Ų | 78 | 50 Ų | 50 | 41% | 0.408 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -80.4 | -25.3 | 177.7 | -59.9 | 176.2 | 0 | 0 | 0 | 112.8 | I46 F73 R74 S79 Y80 | I46-L76 HydrophobicContact CD1-CB 3.78Å; F73-L76 WeakPolarHBondContact O-CB 3.42Å; F73-L76 PolarHBondContact O-N 2.93Å; F73-L76 VanDerWaalsContact O-N 3.12Å; R74-L76 PolarHBondContact O-N 3.12Å; R74-L76 VanDerWaalsContact O-N 3.14Å; L76-S79 PolarHBondContact O-OG 2.9Å; L76-Y80 WeakPolarHBondContact O-CD2 3.47Å; L76-Y80 WeakPolarHBondContact O-CE2 3.46Å |
| 77 | I | 94.4 | Very high | 93 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.2 | -41.5 | -166.2 | -64.7 | 177.2 | 0 | 0 | 0 | 114.2 | L17 T67 R74 S79 Y80 I81 W105 | L17-I77 HydrophobicContact CD2-CD1 4.47Å; L17-I77 HydrophobicContact CD2-CG2 3.46Å; L17-I77 VanDerWaalsContact CD2-CG2 3.46Å; T67-I77 HydrophobicContact CG2-CG1 4.35Å; R74-I77 HydrophobicContact CG-CD1 4.29Å; R74-I77 WeakPolarHBondContact O-CB 3.38Å; R74-I77 PolarHBondContact O-N 3.38Å; R74-I77 VanDerWaalsContact O-N 3.11Å; I77-S79 VanDerWaalsContact C-N 3.3Å; I77-S79 PolarHBondContact O-N 2.84Å; I77-S79 VanDerWaalsContact O-N 3.15Å; I77-Y80 PolarHBondContact O-N 3.03Å; I77-I81 HydrophobicContact CG2-CD1 3.61Å; I77-I81 HydrophobicContact CG2-CG1 3.84Å; I77-I81 PolarHBondContact O-N 2.84Å; I77-I81 VanDerWaalsContact O-N 3.14Å; I77-W105 HydrophobicContact CD1-CH2 3.51Å; I77-W105 HydrophobicContact CD1-CZ3 3.56Å; I77-W105 HydrophobicContact CG2-CZ3 4.35Å |
| 78 | P | 95.4 | Very high | 93.2 | Very high | 40 Ų | 40 | 49.8 Ų | 49.8 | 26% | 0.26 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -49.9 | -43.9 | -175.1 | -34.3 | 39 | 0 | 0 | 0 | 114.9 | R74 Y80 I81 R82 E112 | R74-P78 WeakPolarHBondContact O-CD 2.86Å; P78-Y80 VanDerWaalsContact C-N 3.28Å; P78-Y80 PolarHBondContact O-N 2.8Å; P78-I81 PolarHBondContact O-N 3.23Å; P78-R82 WeakPolarHBondContact O-CG 3.32Å; P78-R82 PolarHBondContact O-N 2.89Å; P78-E112 HydrophobicContact CB-CG 4.07Å |
| 79 | S | 94.2 | Very high | 93.6 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 39% | 0.392 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.4 | -31.7 | 179.7 | 54 | 0 | 0 | 0 | 0 | 113.5 | L76 I77 D83 | L76-S79 PolarHBondContact O-OG 2.9Å; I77-S79 VanDerWaalsContact C-N 3.3Å; I77-S79 PolarHBondContact O-N 2.84Å; I77-S79 VanDerWaalsContact O-N 3.15Å; S79-D83 PolarHBondContact O-N 3.3Å |
| 80 | Y | 94.5 | Very high | 94.4 | Very high | 71 Ų | 71 | 49.4 Ų | 49.4 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -80.8 | -29.6 | 178.9 | -64.1 | -92.4 | 0 | 0 | 0 | 112.1 | I46 W65 L76 I77 P78 S84 | I46-Y80 HydrophobicContact CD1-CD1 4.5Å; I46-Y80 HydrophobicContact CD1-CD2 3.23Å; I46-Y80 HydrophobicContact CD1-CE1 4.45Å; I46-Y80 HydrophobicContact CD1-CE2 3.17Å; I46-Y80 HydrophobicContact CD1-CG 3.91Å; I46-Y80 HydrophobicContact CG1-CE2 4.41Å; I46-Y80 HydrophobicContact CG2-CD1 4.23Å; I46-Y80 HydrophobicContact CG2-CE1 4.03Å; W65-Y80 AromaticContact CD2-CD1 3.64Å; W65-Y80 HydrophobicContact CD2-CD1 3.64Å; W65-Y80 HydrophobicContact CD2-CE1 4Å; W65-Y80 AromaticContact CE3-CD1 3.5Å; W65-Y80 HydrophobicContact CE3-CD1 3.5Å; W65-Y80 AromaticContact CE3-CE1 3.4Å; W65-Y80 HydrophobicContact CE3-CE1 3.4Å; W65-Y80 HydrophobicContact CG-CD1 4.15Å; W65-Y80 HydrophobicContact CH2-CD1 4.31Å; W65-Y80 AromaticContact CH2-CE1 3.83Å; W65-Y80 HydrophobicContact CH2-CE1 3.83Å; W65-Y80 HydrophobicContact CZ2-CD1 4.44Å; W65-Y80 HydrophobicContact CZ2-CE1 4.38Å; W65-Y80 AromaticContact CZ3-CD1 3.88Å; W65-Y80 HydrophobicContact CZ3-CD1 3.88Å; W65-Y80 AromaticContact CZ3-CE1 3.32Å; W65-Y80 HydrophobicContact CZ3-CE1 3.32Å; L76-Y80 WeakPolarHBondContact O-CD2 3.47Å; L76-Y80 WeakPolarHBondContact O-CE2 3.46Å; I77-Y80 PolarHBondContact O-N 3.03Å; P78-Y80 VanDerWaalsContact C-N 3.28Å; P78-Y80 PolarHBondContact O-N 2.8Å; Y80-S84 WeakPolarHBondContact O-CB 3.44Å; Y80-S84 PolarHBondContact O-N 2.88Å; Y80-S84 PolarHBondContact O-OG 3.1Å |
| 81 | I | 96.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.6 | -50 | 169.8 | -64.7 | 178.4 | 0 | 0 | 0 | 109.9 | V15 L17 I77 P78 D83 S84 V109 E112 R113 | V15-I81 HydrophobicContact CG1-CG1 4.35Å; L17-I81 HydrophobicContact CD1-CD1 3.83Å; L17-I81 HydrophobicContact CD1-CG1 4.04Å; L17-I81 HydrophobicContact CD2-CD1 4.49Å; L17-I81 HydrophobicContact CD2-CG1 4.5Å; I77-I81 HydrophobicContact CG2-CD1 3.61Å; I77-I81 HydrophobicContact CG2-CG1 3.84Å; I77-I81 PolarHBondContact O-N 2.84Å; I77-I81 VanDerWaalsContact O-N 3.14Å; P78-I81 PolarHBondContact O-N 3.23Å; I81-D83 PolarHBondContact O-N 3.14Å; I81-S84 PolarHBondContact O-N 3.38Å; I81-V109 HydrophobicContact CD1-CG2 4.05Å; I81-V109 HydrophobicContact CG1-CG2 4.48Å; I81-V109 HydrophobicContact CG2-CB 4.37Å; I81-V109 HydrophobicContact CG2-CG1 4.43Å; I81-V109 HydrophobicContact CG2-CG2 4.23Å; I81-E112 HydrophobicContact CB-CB 4.1Å; I81-E112 HydrophobicContact CG2-CB 3.62Å; I81-E112 HydrophobicContact CG2-CG 4.43Å; I81-R113 HydrophobicContact CG2-CB 4.16Å |
| 82 | R | 95.5 | Very high | 95.5 | Very high | 132 Ų | 132 | 40.7 Ų | 40.7 | 50% | 0.498 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.6 | -25.3 | -179.6 | -75.5 | -159.8 | -65.9 | -105.9 | 6 | 114.1 | P78 E112 R113 | P78-R82 WeakPolarHBondContact O-CG 3.32Å; P78-R82 PolarHBondContact O-N 2.89Å; R82-E112 WeakPolarHBondContact CD-OE2 3.22Å; R82-E112 HydrophobicContact CG-CB 3.9Å; R82-E112 WeakPolarHBondContact CG-O 3.4Å; R82-E112 WeakPolarHBondContact CG-OE2 3.39Å; R82-E112 IonicContact CZ-OE2 3.48Å; R82-E112 IonicContact NE-OE2 3.49Å; R82-E112 IonicContact NH1-OE2 2.85Å; R82-E112 PolarHBondContact NH1-OE2 3.37Å; R82-R113 WeakPolarHBondContact O-CD 3.33Å; R82-R113 PolarHBondContact O-NH1 2.99Å |
| 83 | D | 91.6 | Very high | 95.8 | Very high | 91 Ų | 91 | 33.1 Ų | 33.1 | 49% | 0.487 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -10 | 179.5 | -89.9 | 11.2 | 0 | 0 | 0 | 114.3 | K13 S79 I81 R113 | K13-D83 HydrophobicContact CD-CB 4.01Å; K13-D83 WeakPolarHBondContact CD-O 3.37Å; K13-D83 IonicContact NZ-OD2 3.35Å; K13-D83 PolarHBondContact NZ-OD2 3.33Å; S79-D83 PolarHBondContact O-N 3.3Å; I81-D83 PolarHBondContact O-N 3.14Å; D83-R113 PolarHBondContact O-NH1 3.23Å |
| 84 | S | 96.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | trans | -87.3 | 141.4 | -173.5 | -69.1 | 0 | 0 | 0 | 0 | 112.9 | V15 Y80 I81 R113 | V15-S84 WeakPolarHBondContact CB-OG 3.32Å; Y80-S84 WeakPolarHBondContact O-CB 3.44Å; Y80-S84 PolarHBondContact O-N 2.88Å; Y80-S84 PolarHBondContact O-OG 3.1Å; I81-S84 PolarHBondContact O-N 3.38Å; S84-R113 VanDerWaalsContact O-CZ 3.28Å; S84-R113 PolarHBondContact O-NH1 3.18Å | ||
| 85 | T | 96 | Very high | 96.5 | Very high | 32 Ų | 32 | 33.5 Ų | 33.5 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -84.1 | -26.7 | 170.4 | -44.3 | 0 | 0 | 0 | 0 | 110.8 | F12 K13 I118 L172 | F12-T85 HydrophobicContact CD1-CG2 4.08Å; K13-T85 PolarHBondContact O-N 3.34Å; T85-I118 PolarHBondContact O-N 2.99Å; T85-L172 HydrophobicContact CG2-CD2 4.09Å |
| 86 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 135.3 | -176.6 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | K13 L14 V15 V88 I118 V168 L172 | K13-V86 PolarHBondContact O-N 3.12Å; K13-V86 VanDerWaalsContact O-N 3.15Å; L14-V86 WeakPolarHBondContact CA-O 3.48Å; L14-V86 HydrophobicContact CB-CB 4.49Å; L14-V86 HydrophobicContact CD1-CB 4.19Å; L14-V86 HydrophobicContact CD1-CG2 4.15Å; L14-V86 HydrophobicContact CG-CB 3.83Å; L14-V86 HydrophobicContact CG-CG1 4.13Å; L14-V86 HydrophobicContact CG-CG2 4.25Å; V15-V86 PolarHBondContact N-O 3.37Å; V86-V88 HydrophobicContact CG1-CG2 4.13Å; V86-I118 CarbonylContact C-O 3.5Å; V86-I118 VanDerWaalsContact CA-O 3.23Å; V86-I118 WeakPolarHBondContact CA-O 3.43Å; V86-I118 HydrophobicContact CG1-CG2 4.39Å; V86-I118 HydrophobicContact CG2-CB 4.09Å; V86-I118 HydrophobicContact CG2-CD1 4.29Å; V86-I118 HydrophobicContact CG2-CG2 4.41Å; V86-V168 HydrophobicContact CB-CG1 4.3Å; V86-V168 HydrophobicContact CG1-CG1 3.8Å; V86-V168 HydrophobicContact CG1-CG2 4.2Å; V86-V168 HydrophobicContact CG2-CG1 3.73Å; V86-L172 HydrophobicContact CG2-CD2 3.66Å |
| 87 | A | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V15 L17 V109 V117 I118 I119 M120 | V15-A87 HydrophobicContact CG1-CB 4.11Å; L17-A87 HydrophobicContact CD1-CB 4.43Å; A87-V109 HydrophobicContact CB-CB 4.41Å; A87-V109 HydrophobicContact CB-CG1 3.81Å; A87-V109 HydrophobicContact CB-CG2 3.66Å; A87-V117 HydrophobicContact CB-CG2 4.23Å; A87-I118 PolarHBondContact N-O 3.33Å; A87-I119 WeakPolarHBondContact O-CA 3.4Å; A87-M120 PolarHBondContact O-N 3.1Å |
| 88 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 106.5 | 173.5 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | V15 F16 L17 V86 V90 M120 V122 L164 | V15-V88 PolarHBondContact O-N 3.16Å; F16-V88 CarbonylContact C-O 3.58Å; F16-V88 WeakPolarHBondContact CA-O 3.34Å; F16-V88 HydrophobicContact CD1-CB 3.88Å; F16-V88 HydrophobicContact CD1-CG1 3.89Å; F16-V88 HydrophobicContact CE1-CB 3.89Å; F16-V88 HydrophobicContact CE1-CG1 3.72Å; F16-V88 HydrophobicContact CE1-CG2 4.13Å; F16-V88 HydrophobicContact CE2-CG2 4.26Å; F16-V88 HydrophobicContact CG-CB 4.21Å; F16-V88 HydrophobicContact CZ-CB 4.2Å; F16-V88 HydrophobicContact CZ-CG1 4.38Å; F16-V88 HydrophobicContact CZ-CG2 3.95Å; L17-V88 PolarHBondContact N-O 3.18Å; V86-V88 HydrophobicContact CG1-CG2 4.13Å; V88-V90 HydrophobicContact CG1-CG2 4.03Å; V88-M120 CarbonylContact C-O 3.59Å; V88-M120 WeakPolarHBondContact CA-O 3.42Å; V88-V122 HydrophobicContact CG1-CG2 3.57Å; V88-L164 HydrophobicContact CG1-CD1 4.46Å |
| 89 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.9 | -177.8 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | L17 T102 W105 I106 I119 M120 L121 V122 | L17-V89 HydrophobicContact CB-CG2 4.39Å; V89-T102 HydrophobicContact CG1-CG2 3.95Å; V89-W105 HydrophobicContact CG1-CB 3.73Å; V89-W105 HydrophobicContact CG1-CG 4.4Å; V89-W105 HydrophobicContact CG2-CB 4.46Å; V89-I106 HydrophobicContact CB-CG1 4.39Å; V89-I106 HydrophobicContact CG1-CG1 4.36Å; V89-I106 HydrophobicContact CG2-CG1 3.96Å; V89-I119 HydrophobicContact CG2-CG2 4.24Å; V89-M120 PolarHBondContact N-O 3.31Å; V89-L121 HydrophobicContact CG1-CD1 4.46Å; V89-L121 CarbonylContact O-C 3.59Å; V89-L121 WeakPolarHBondContact O-CA 3.3Å; V89-V122 PolarHBondContact O-N 3.01Å |
| 90 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.2 | -169.7 | -170 | 0 | 0 | 0 | 0 | 110.8 | F16 L17 V22 K24 L27 V88 V122 N124 | F16-V90 HydrophobicContact CD1-CG2 4.42Å; L17-V90 PolarHBondContact O-N 3.41Å; V22-V90 HydrophobicContact CB-CG1 4.25Å; V22-V90 HydrophobicContact CG2-CB 3.86Å; V22-V90 HydrophobicContact CG2-CG1 3.87Å; K24-V90 HydrophobicContact CG-CB 4.14Å; K24-V90 HydrophobicContact CG-CG2 4.08Å; L27-V90 HydrophobicContact CD1-CG1 3.91Å; L27-V90 HydrophobicContact CD1-CG2 4.05Å; V88-V90 HydrophobicContact CG1-CG2 4.03Å; V90-V122 WeakPolarHBondContact CA-O 3.49Å; V90-V122 HydrophobicContact CG1-CB 4.46Å; V90-V122 HydrophobicContact CG2-CB 4.29Å; V90-N124 HydrophobicContact CG1-CB 3.8Å |
| 91 | Y | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 163.8 | 165.8 | 72.2 | -85 | 0 | 0 | 0 | 111 | I93 F99 T102 L121 V122 N124 I134 F150 | Y91-I93 HydrophobicContact CE2-CG2 3.96Å; Y91-F99 HydrophobicContact CD1-CD2 4.02Å; Y91-F99 HydrophobicContact CD2-CB 3.82Å; Y91-F99 AromaticContact CD2-CD2 3.86Å; Y91-F99 HydrophobicContact CD2-CD2 3.86Å; Y91-F99 HydrophobicContact CD2-CG 4.3Å; Y91-F99 AromaticContact CE1-CD2 3.9Å; Y91-F99 HydrophobicContact CE1-CD2 3.9Å; Y91-F99 HydrophobicContact CE1-CE2 4.3Å; Y91-F99 HydrophobicContact CE2-CB 4.34Å; Y91-F99 AromaticContact CE2-CD2 3.74Å; Y91-F99 HydrophobicContact CE2-CD2 3.74Å; Y91-F99 HydrophobicContact CE2-CG 4.4Å; Y91-F99 HydrophobicContact CG-CB 4.16Å; Y91-F99 AromaticContact CG-CD2 4Å; Y91-F99 HydrophobicContact CG-CD2 4Å; Y91-F99 AromaticContact CZ-CD2 3.76Å; Y91-T102 HydrophobicContact CD1-CG2 4.18Å; Y91-T102 HydrophobicContact CG-CG2 4.36Å; Y91-L121 HydrophobicContact CD1-CD1 3.92Å; Y91-L121 HydrophobicContact CD1-CG 4.37Å; Y91-L121 HydrophobicContact CE1-CD1 4.17Å; Y91-L121 HydrophobicContact CE1-CD2 4.47Å; Y91-L121 HydrophobicContact CE1-CG 4.12Å; Y91-V122 VanDerWaalsContact CD1-O 3.28Å; Y91-V122 WeakPolarHBondContact CD1-O 3.47Å; Y91-V122 PolarHBondContact N-O 2.99Å; Y91-N124 PolarHBondContact O-N 2.88Å; Y91-I134 HydrophobicContact CE2-CB 4.2Å; Y91-I134 HydrophobicContact CE2-CG2 3.99Å; Y91-F150 HydrophobicContact CE1-CE2 4.2Å |
| 92 | D | 98.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 122.9 | 174 | 172.1 | -4.5 | 0 | 0 | 0 | 108.7 | V22 T94 N95 S98 K125 | V22-D92 HydrophobicContact CB-CB 4.38Å; V22-D92 HydrophobicContact CG1-CB 4.31Å; D92-T94 VanDerWaalsContact CG-OG1 3.24Å; D92-T94 PolarHBondContact O-N 3.08Å; D92-T94 WeakPolarHBondContact OD1-CB 3.42Å; D92-T94 PolarHBondContact OD1-N 3.48Å; D92-T94 PolarHBondContact OD1-OG1 2.86Å; D92-T94 PolarHBondContact OD2-OG1 3.15Å; D92-N95 HydrophobicContact CB-CB 4.02Å; D92-N95 PolarHBondContact O-N 2.87Å; D92-S98 PolarHBondContact N-OG 2.95Å; D92-S98 PolarHBondContact O-OG 2.91Å; D92-K125 HydrophobicContact CB-CD 4.33Å; D92-K125 WeakPolarHBondContact OD2-CD 3.44Å; D92-K125 WeakPolarHBondContact OD2-CE 3.2Å; D92-K125 IonicContact OD2-NZ 2.8Å; D92-K125 PolarHBondContact OD2-NZ 3.16Å |
| 93 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -17.2 | -177.4 | 65.6 | 156.9 | 0 | 0 | 0 | 113.4 | Y91 N124 K125 T126 R132 Q133 I134 | Y91-I93 HydrophobicContact CE2-CG2 3.96Å; I93-N124 WeakPolarHBondContact CG1-O 3.19Å; I93-N124 WeakPolarHBondContact CG2-O 3.25Å; I93-N124 PolarHBondContact N-O 2.9Å; I93-K125 WeakPolarHBondContact CD1-O 3.32Å; I93-T126 HydrophobicContact CD1-CG2 4.31Å; I93-R132 HydrophobicContact CD1-CB 4.21Å; I93-R132 HydrophobicContact CD1-CG 4.21Å; I93-Q133 PolarHBondContact O-N 3.28Å; I93-I134 PolarHBondContact O-N 3.29Å; I93-I134 VanDerWaalsContact O-N 3.13Å |
| 94 | T | 98.7 | Very high | 98.3 | Very high | 27 Ų | 27 | 27.7 Ų | 27.7 | 17% | 0.166 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 3.8 | 178.2 | 72.1 | 0 | 0 | 0 | 0 | 113 | D92 L128 K131 Q133 | D92-T94 VanDerWaalsContact CG-OG1 3.24Å; D92-T94 PolarHBondContact O-N 3.08Å; D92-T94 WeakPolarHBondContact OD1-CB 3.42Å; D92-T94 PolarHBondContact OD1-N 3.48Å; D92-T94 PolarHBondContact OD1-OG1 2.86Å; D92-T94 PolarHBondContact OD2-OG1 3.15Å; T94-L128 HydrophobicContact CG2-CB 3.59Å; T94-L128 HydrophobicContact CG2-CD1 4.14Å; T94-K131 WeakPolarHBondContact CA-O 3.23Å; T94-K131 WeakPolarHBondContact CB-O 3.44Å; T94-K131 HydrophobicContact CG2-CB 3.83Å; T94-K131 WeakPolarHBondContact CG2-O 3.3Å; T94-Q133 WeakPolarHBondContact O-CG 3.42Å; T94-Q133 PolarHBondContact O-OE1 3.24Å |
| 95 | N | 98.5 | Very high | 98.4 | Very high | 56 Ų | 56 | 27.8 Ų | 27.8 | 30% | 0.299 | 15% | 0.145 | S | C | . | . | trans | -135.2 | 95.6 | -176.1 | -176.9 | -29.4 | 0 | 0 | 0 | 111 | D92 N97 S98 F99 | D92-N95 HydrophobicContact CB-CB 4.02Å; D92-N95 PolarHBondContact O-N 2.87Å; N95-N97 VanDerWaalsContact C-N 3.26Å; N95-N97 PolarHBondContact O-N 3.28Å; N95-N97 WeakPolarHBondContact OD1-CB 3.42Å; N95-N97 PolarHBondContact OD1-N 2.87Å; N95-N97 VanDerWaalsContact OD1-N 3.13Å; N95-S98 WeakPolarHBondContact O-CB 3.43Å; N95-S98 PolarHBondContact O-N 3.14Å; N95-S98 VanDerWaalsContact O-N 3.07Å; N95-S98 PolarHBondContact O-OG 3.38Å; N95-S98 PolarHBondContact OD1-N 3.06Å; N95-F99 PolarHBondContact O-N 3.09Å | ||
| 96 | T | 98.4 | Very high | 98.5 | Very high | 46 Ų | 46 | 26.2 Ų | 26.2 | 28% | 0.282 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -54.9 | -37.6 | 178.9 | -57.9 | 0 | 0 | 0 | 0 | 113.4 | S98 F99 H100 Q133 I134 | T96-S98 VanDerWaalsContact C-N 3.34Å; T96-S98 PolarHBondContact O-N 3.05Å; T96-F99 WeakPolarHBondContact O-CB 3.3Å; T96-F99 PolarHBondContact O-N 3.03Å; T96-H100 PolarHBondContact O-N 2.88Å; T96-Q133 WeakPolarHBondContact OG1-CB 3.36Å; T96-Q133 PolarHBondContact OG1-OE1 2.73Å; T96-I134 HydrophobicContact CG2-CD1 4Å |
| 97 | N | 98.4 | Very high | 98.4 | Very high | 93 Ų | 93 | 30.1 Ų | 30.1 | 50% | 0.497 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 178.3 | -179.6 | 68.2 | 0 | 0 | 0 | 111.4 | N95 F99 H100 Q101 | N95-N97 VanDerWaalsContact C-N 3.26Å; N95-N97 PolarHBondContact O-N 3.28Å; N95-N97 WeakPolarHBondContact OD1-CB 3.42Å; N95-N97 PolarHBondContact OD1-N 2.87Å; N95-N97 VanDerWaalsContact OD1-N 3.13Å; N97-F99 PolarHBondContact O-N 3.25Å; N97-H100 PolarHBondContact O-N 2.86Å; N97-Q101 VanDerWaalsContact O-CG 3.23Å; N97-Q101 WeakPolarHBondContact O-CG 3.38Å; N97-Q101 PolarHBondContact O-N 2.9Å |
| 98 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.2 | -33.5 | 177.3 | 78.2 | 0 | 0 | 0 | 0 | 112.7 | D92 N95 T96 T102 | D92-S98 PolarHBondContact N-OG 2.95Å; D92-S98 PolarHBondContact O-OG 2.91Å; N95-S98 WeakPolarHBondContact O-CB 3.43Å; N95-S98 PolarHBondContact O-N 3.14Å; N95-S98 VanDerWaalsContact O-N 3.07Å; N95-S98 PolarHBondContact O-OG 3.38Å; N95-S98 PolarHBondContact OD1-N 3.06Å; T96-S98 VanDerWaalsContact C-N 3.34Å; T96-S98 PolarHBondContact O-N 3.05Å; S98-T102 WeakPolarHBondContact O-CG2 3.28Å |
| 99 | F | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 6% | 0.057 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.7 | -44.2 | 174.9 | 174.8 | -108.1 | 0 | 0 | 0 | 112.3 | Y91 N95 T96 N97 Q101 T102 I134 E138 K142 | Y91-F99 HydrophobicContact CD1-CD2 4.02Å; Y91-F99 HydrophobicContact CD2-CB 3.82Å; Y91-F99 AromaticContact CD2-CD2 3.86Å; Y91-F99 HydrophobicContact CD2-CD2 3.86Å; Y91-F99 HydrophobicContact CD2-CG 4.3Å; Y91-F99 AromaticContact CE1-CD2 3.9Å; Y91-F99 HydrophobicContact CE1-CD2 3.9Å; Y91-F99 HydrophobicContact CE1-CE2 4.3Å; Y91-F99 HydrophobicContact CE2-CB 4.34Å; Y91-F99 AromaticContact CE2-CD2 3.74Å; Y91-F99 HydrophobicContact CE2-CD2 3.74Å; Y91-F99 HydrophobicContact CE2-CG 4.4Å; Y91-F99 HydrophobicContact CG-CB 4.16Å; Y91-F99 AromaticContact CG-CD2 4Å; Y91-F99 HydrophobicContact CG-CD2 4Å; Y91-F99 AromaticContact CZ-CD2 3.76Å; N95-F99 PolarHBondContact O-N 3.09Å; T96-F99 WeakPolarHBondContact O-CB 3.3Å; T96-F99 PolarHBondContact O-N 3.03Å; N97-F99 PolarHBondContact O-N 3.25Å; F99-Q101 VanDerWaalsContact C-N 3.31Å; F99-Q101 PolarHBondContact O-N 2.91Å; F99-T102 PolarHBondContact O-N 2.75Å; F99-T102 PolarHBondContact O-OG1 2.83Å; F99-I134 HydrophobicContact CB-CD1 4.04Å; F99-I134 HydrophobicContact CB-CG1 3.79Å; F99-I134 HydrophobicContact CD1-CD1 3.67Å; F99-I134 HydrophobicContact CD1-CG1 4.16Å; F99-I134 HydrophobicContact CD1-CG2 4.17Å; F99-I134 HydrophobicContact CD2-CG2 3.94Å; F99-I134 HydrophobicContact CE1-CD1 4.37Å; F99-I134 HydrophobicContact CE1-CG2 4.26Å; F99-I134 HydrophobicContact CE2-CG2 4.03Å; F99-I134 HydrophobicContact CG-CD1 3.99Å; F99-I134 HydrophobicContact CG-CG1 3.95Å; F99-I134 HydrophobicContact CG-CG2 4Å; F99-I134 HydrophobicContact CZ-CG2 4.18Å; F99-E138 HydrophobicContact CZ-CB 4.39Å; F99-K142 HydrophobicContact CD2-CD 4.27Å; F99-K142 HydrophobicContact CE1-CD 4.02Å; F99-K142 HydrophobicContact CE2-CB 4.12Å; F99-K142 HydrophobicContact CE2-CD 3.52Å; F99-K142 HydrophobicContact CE2-CG 4.41Å; F99-K142 HydrophobicContact CZ-CB 3.78Å; F99-K142 HydrophobicContact CZ-CD 3.38Å; F99-K142 HydrophobicContact CZ-CG 4.2Å; F99-K142 PolarHBondContact O-NZ 3.41Å |
| 100 | H | 98.5 | Very high | 98.2 | Very high | 112 Ų | 112 | 36.9 Ų | 36.9 | 52% | 0.519 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 176.2 | -68.7 | 173.6 | 0 | 0 | 0 | 111.7 | T96 N97 T102 S103 K142 | T96-H100 PolarHBondContact O-N 2.88Å; N97-H100 PolarHBondContact O-N 2.86Å; H100-T102 PolarHBondContact O-N 2.79Å; H100-T102 VanDerWaalsContact O-N 3.1Å; H100-S103 PolarHBondContact O-N 3.24Å; H100-K142 PolarHBondContact O-NZ 3.45Å |
| 101 | Q | 98.2 | Very high | 98.2 | Very high | 55 Ų | 55 | 42.2 Ų | 42.2 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.2 | -179.4 | -67.1 | -65.1 | 99.7 | 0 | 0 | 114 | E19 N97 F99 S103 K104 W105 | E19-Q101 HydrophobicContact CG-CB 3.68Å; E19-Q101 HydrophobicContact CG-CG 3.92Å; N97-Q101 VanDerWaalsContact O-CG 3.23Å; N97-Q101 WeakPolarHBondContact O-CG 3.38Å; N97-Q101 PolarHBondContact O-N 2.9Å; F99-Q101 VanDerWaalsContact C-N 3.31Å; F99-Q101 PolarHBondContact O-N 2.91Å; Q101-S103 PolarHBondContact O-N 2.82Å; Q101-K104 PolarHBondContact O-N 2.94Å; Q101-W105 PolarHBondContact O-N 2.83Å |
| 102 | T | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.1 | -28.6 | 177.6 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | V89 Y91 S98 F99 H100 W105 I106 L121 K142 | V89-T102 HydrophobicContact CG1-CG2 3.95Å; Y91-T102 HydrophobicContact CD1-CG2 4.18Å; Y91-T102 HydrophobicContact CG-CG2 4.36Å; S98-T102 WeakPolarHBondContact O-CG2 3.28Å; F99-T102 PolarHBondContact O-N 2.75Å; F99-T102 PolarHBondContact O-OG1 2.83Å; H100-T102 PolarHBondContact O-N 2.79Å; H100-T102 VanDerWaalsContact O-N 3.1Å; T102-W105 PolarHBondContact O-N 2.83Å; T102-I106 WeakPolarHBondContact O-CB 3.47Å; T102-I106 VanDerWaalsContact O-CG1 3.25Å; T102-I106 WeakPolarHBondContact O-CG1 3.15Å; T102-I106 PolarHBondContact O-N 2.85Å; T102-L121 HydrophobicContact CG2-CD1 3.81Å; T102-K142 WeakPolarHBondContact OG1-CE 3.45Å; T102-K142 PolarHBondContact OG1-NZ 2.91Å |
| 103 | S | 98.3 | Very high | 97.9 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 29% | 0.287 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.3 | -48 | 175.6 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | H100 Q101 W105 I106 D107 K142 | H100-S103 PolarHBondContact O-N 3.24Å; Q101-S103 PolarHBondContact O-N 2.82Å; S103-W105 VanDerWaalsContact C-N 3.34Å; S103-W105 PolarHBondContact O-N 2.88Å; S103-I106 PolarHBondContact O-N 2.9Å; S103-I106 VanDerWaalsContact O-N 3.12Å; S103-D107 VanDerWaalsContact O-CG 3.22Å; S103-D107 PolarHBondContact O-N 2.78Å; S103-K142 WeakPolarHBondContact OG-CE 3.41Å; S103-K142 PolarHBondContact OG-NZ 2.8Å |
| 104 | K | 97.3 | Very high | 97.7 | Very high | 98 Ų | 98 | 50.3 Ų | 50.3 | 43% | 0.426 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 176.3 | -178.2 | 178.6 | 178.2 | 176.5 | 0 | 112 | Q101 I106 D107 D108 | Q101-K104 PolarHBondContact O-N 2.94Å; K104-I106 VanDerWaalsContact C-N 3.31Å; K104-I106 PolarHBondContact O-N 2.59Å; K104-D107 PolarHBondContact O-N 2.95Å; K104-D108 VanDerWaalsContact O-CG 3.23Å; K104-D108 PolarHBondContact O-N 2.83Å |
| 105 | W | 97.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 177.2 | -73.7 | 112.3 | 0 | 0 | 0 | 112.8 | L17 G18 E19 R74 I77 V89 Q101 T102 S103 V109 | L17-W105 HydrophobicContact CB-CD2 4.28Å; L17-W105 HydrophobicContact CB-CE3 4.03Å; L17-W105 HydrophobicContact CD1-CE3 4.46Å; L17-W105 HydrophobicContact CD2-CE3 4.26Å; L17-W105 HydrophobicContact CD2-CZ3 4.11Å; L17-W105 HydrophobicContact CG-CE3 4.49Å; G18-W105 WeakPolarHBondContact O-CZ2 3.39Å; E19-W105 PolarHBondContact OE1-NE1 2.86Å; R74-W105 HydrophobicContact CG-CH2 4.06Å; R74-W105 VanDerWaalsContact NH2-NE1 3.18Å; I77-W105 HydrophobicContact CD1-CH2 3.51Å; I77-W105 HydrophobicContact CD1-CZ3 3.56Å; I77-W105 HydrophobicContact CG2-CZ3 4.35Å; V89-W105 HydrophobicContact CG1-CB 3.73Å; V89-W105 HydrophobicContact CG1-CG 4.4Å; V89-W105 HydrophobicContact CG2-CB 4.46Å; Q101-W105 PolarHBondContact O-N 2.83Å; T102-W105 PolarHBondContact O-N 2.83Å; S103-W105 VanDerWaalsContact C-N 3.34Å; S103-W105 PolarHBondContact O-N 2.88Å; W105-V109 VanDerWaalsContact O-CG2 3.27Å; W105-V109 WeakPolarHBondContact O-CG2 3.45Å; W105-V109 PolarHBondContact O-N 3Å; W105-V109 VanDerWaalsContact O-N 3.08Å |
| 106 | I | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.7 | -38.5 | 177.1 | -70.5 | 169 | 0 | 0 | 0 | 110.6 | V89 T102 S103 K104 V109 R110 I119 L146 V148 | V89-I106 HydrophobicContact CB-CG1 4.39Å; V89-I106 HydrophobicContact CG1-CG1 4.36Å; V89-I106 HydrophobicContact CG2-CG1 3.96Å; T102-I106 WeakPolarHBondContact O-CB 3.47Å; T102-I106 VanDerWaalsContact O-CG1 3.25Å; T102-I106 WeakPolarHBondContact O-CG1 3.15Å; T102-I106 PolarHBondContact O-N 2.85Å; S103-I106 PolarHBondContact O-N 2.9Å; S103-I106 VanDerWaalsContact O-N 3.12Å; K104-I106 VanDerWaalsContact C-N 3.31Å; K104-I106 PolarHBondContact O-N 2.59Å; I106-V109 WeakPolarHBondContact O-CB 3.2Å; I106-V109 PolarHBondContact O-N 3.43Å; I106-R110 WeakPolarHBondContact O-CG 3.43Å; I106-R110 PolarHBondContact O-N 3.01Å; I106-I119 HydrophobicContact CG1-CG2 4.12Å; I106-I119 HydrophobicContact CG2-CD1 4.1Å; I106-L146 HydrophobicContact CD1-CD1 3.54Å; I106-V148 HydrophobicContact CD1-CG2 4.42Å |
| 107 | D | 97.5 | Very high | 96.6 | Very high | 81 Ų | 81 | 57.3 Ų | 57.3 | 43% | 0.433 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 174.9 | -65.6 | -24.7 | 0 | 0 | 0 | 111.6 | S103 K104 V109 R110 T111 | S103-D107 VanDerWaalsContact O-CG 3.22Å; S103-D107 PolarHBondContact O-N 2.78Å; K104-D107 PolarHBondContact O-N 2.95Å; D107-V109 VanDerWaalsContact C-N 3.29Å; D107-V109 PolarHBondContact O-N 3.01Å; D107-R110 PolarHBondContact O-N 3.41Å; D107-T111 WeakPolarHBondContact O-CB 3.22Å; D107-T111 PolarHBondContact O-N 3.07Å; D107-T111 PolarHBondContact O-OG1 3.28Å |
| 108 | D | 96.7 | Very high | 96.5 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 172.8 | -68.5 | -21.3 | 0 | 0 | 0 | 110.5 | K104 T111 E112 | K104-D108 VanDerWaalsContact O-CG 3.23Å; K104-D108 PolarHBondContact O-N 2.83Å; D108-T111 PolarHBondContact O-N 3.22Å; D108-E112 WeakPolarHBondContact O-CG 3.38Å; D108-E112 PolarHBondContact O-N 3.18Å |
| 109 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 176.9 | 168.1 | 0 | 0 | 0 | 0 | 112.1 | L17 I81 A87 W105 I106 D107 T111 E112 R113 V117 I119 | L17-V109 HydrophobicContact CD1-CG2 3.31Å; I81-V109 HydrophobicContact CD1-CG2 4.05Å; I81-V109 HydrophobicContact CG1-CG2 4.48Å; I81-V109 HydrophobicContact CG2-CB 4.37Å; I81-V109 HydrophobicContact CG2-CG1 4.43Å; I81-V109 HydrophobicContact CG2-CG2 4.23Å; A87-V109 HydrophobicContact CB-CB 4.41Å; A87-V109 HydrophobicContact CB-CG1 3.81Å; A87-V109 HydrophobicContact CB-CG2 3.66Å; W105-V109 VanDerWaalsContact O-CG2 3.27Å; W105-V109 WeakPolarHBondContact O-CG2 3.45Å; W105-V109 PolarHBondContact O-N 3Å; W105-V109 VanDerWaalsContact O-N 3.08Å; I106-V109 WeakPolarHBondContact O-CB 3.2Å; I106-V109 PolarHBondContact O-N 3.43Å; D107-V109 VanDerWaalsContact C-N 3.29Å; D107-V109 PolarHBondContact O-N 3.01Å; V109-T111 VanDerWaalsContact C-N 3.34Å; V109-E112 PolarHBondContact O-N 2.77Å; V109-R113 WeakPolarHBondContact O-CB 3.48Å; V109-R113 PolarHBondContact O-N 2.84Å; V109-V117 HydrophobicContact CG1-CB 4.34Å; V109-V117 HydrophobicContact CG1-CG1 3.44Å; V109-V117 VanDerWaalsContact CG1-CG1 3.44Å; V109-V117 HydrophobicContact CG1-CG2 4.04Å; V109-I119 HydrophobicContact CB-CD1 4.35Å; V109-I119 HydrophobicContact CG1-CD1 3.67Å; V109-I119 HydrophobicContact CG1-CG1 3.97Å |
| 110 | R | 97.3 | Very high | 96.5 | Very high | 88 Ų | 88 | 54.3 Ų | 54.3 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.9 | -36 | 179.4 | -74.1 | 172.8 | 166 | 171.7 | -5.2 | 112.5 | I106 D107 G114 I119 L146 | I106-R110 WeakPolarHBondContact O-CG 3.43Å; I106-R110 PolarHBondContact O-N 3.01Å; D107-R110 PolarHBondContact O-N 3.41Å; R110-G114 WeakPolarHBondContact O-CA 3.47Å; R110-G114 PolarHBondContact O-N 2.79Å; R110-I119 HydrophobicContact CG-CD1 4.29Å; R110-L146 PolarHBondContact NH2-O 3.24Å |
| 111 | T | 97.1 | Very high | 96.5 | Very high | 111 Ų | 111 | 49 Ų | 49 | 68% | 0.681 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.3 | -44.9 | 177.8 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | D107 D108 V109 | D107-T111 WeakPolarHBondContact O-CB 3.22Å; D107-T111 PolarHBondContact O-N 3.07Å; D107-T111 PolarHBondContact O-OG1 3.28Å; D108-T111 PolarHBondContact O-N 3.22Å; V109-T111 VanDerWaalsContact C-N 3.34Å |
| 112 | E | 97.2 | Very high | 96.6 | Very high | 60 Ų | 60 | 46.4 Ų | 46.4 | 28% | 0.28 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -81.5 | -34.2 | -176.4 | -67.9 | -62.5 | 151.4 | 0 | 0 | 113.4 | P78 I81 R82 D108 V109 | P78-E112 HydrophobicContact CB-CG 4.07Å; I81-E112 HydrophobicContact CB-CB 4.1Å; I81-E112 HydrophobicContact CG2-CB 3.62Å; I81-E112 HydrophobicContact CG2-CG 4.43Å; R82-E112 WeakPolarHBondContact CD-OE2 3.22Å; R82-E112 HydrophobicContact CG-CB 3.9Å; R82-E112 WeakPolarHBondContact CG-O 3.4Å; R82-E112 WeakPolarHBondContact CG-OE2 3.39Å; R82-E112 IonicContact CZ-OE2 3.48Å; R82-E112 IonicContact NE-OE2 3.49Å; R82-E112 IonicContact NH1-OE2 2.85Å; R82-E112 PolarHBondContact NH1-OE2 3.37Å; D108-E112 WeakPolarHBondContact O-CG 3.38Å; D108-E112 PolarHBondContact O-N 3.18Å; V109-E112 PolarHBondContact O-N 2.77Å |
| 113 | R | 95.4 | Very high | 96.6 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 33% | 0.328 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -118.1 | -9.3 | -171.3 | -165.2 | 60.1 | -167.6 | -121.4 | 9.3 | 115.2 | I81 R82 D83 S84 V109 V117 | I81-R113 HydrophobicContact CG2-CB 4.16Å; R82-R113 WeakPolarHBondContact O-CD 3.33Å; R82-R113 PolarHBondContact O-NH1 2.99Å; D83-R113 PolarHBondContact O-NH1 3.23Å; S84-R113 VanDerWaalsContact O-CZ 3.28Å; S84-R113 PolarHBondContact O-NH1 3.18Å; V109-R113 WeakPolarHBondContact O-CB 3.48Å; V109-R113 PolarHBondContact O-N 2.84Å; R113-V117 HydrophobicContact CB-CB 4.12Å; R113-V117 HydrophobicContact CB-CG1 4.2Å; R113-V117 HydrophobicContact CG-CB 3.68Å; R113-V117 HydrophobicContact CG-CG1 4.29Å; R113-V117 HydrophobicContact CG-CG2 4.24Å |
| 114 | G | 93.6 | Very high | 96.6 | Very high | 31 Ų | 31 | 44.6 Ų | 44.6 | 32% | 0.32 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | 70.3 | -155.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R110 V117 | R110-G114 WeakPolarHBondContact O-CA 3.47Å; R110-G114 PolarHBondContact O-N 2.79Å; G114-V117 WeakPolarHBondContact O-CG1 3.26Å |
| 115 | S | 89.8 | Confident | 96.7 | Very high | 115 Ų | 115 | 42 Ų | 42 | 80% | 0.804 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -88.8 | -7.8 | -174.7 | -56.4 | 0 | 0 | 0 | 0 | 114.6 | V117 | S115-V117 PolarHBondContact O-N 3.23Š|
| 116 | D | 87.6 | Confident | 96.7 | Very high | 149 Ų | 149 | 43.1 Ų | 43.1 | 80% | 0.797 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -76.9 | -5 | -178.1 | -66.5 | -21.9 | 0 | 0 | 0 | 113.4 | ||
| 117 | V | 95.2 | Very high | 96.7 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -86.7 | 132.3 | 178.4 | 63.7 | 0 | 0 | 0 | 0 | 111 | A87 V109 R113 G114 S115 I119 | A87-V117 HydrophobicContact CB-CG2 4.23Å; V109-V117 HydrophobicContact CG1-CB 4.34Å; V109-V117 HydrophobicContact CG1-CG1 3.44Å; V109-V117 VanDerWaalsContact CG1-CG1 3.44Å; V109-V117 HydrophobicContact CG1-CG2 4.04Å; R113-V117 HydrophobicContact CB-CB 4.12Å; R113-V117 HydrophobicContact CB-CG1 4.2Å; R113-V117 HydrophobicContact CG-CB 3.68Å; R113-V117 HydrophobicContact CG-CG1 4.29Å; R113-V117 HydrophobicContact CG-CG2 4.24Å; G114-V117 WeakPolarHBondContact O-CG1 3.26Å; S115-V117 PolarHBondContact O-N 3.23Å; V117-I119 HydrophobicContact CG1-CD1 4.11Å; V117-I119 HydrophobicContact CG1-CG1 3.93Å; V117-I119 PolarHBondContact O-N 3.47Å |
| 118 | I | 97.4 | Very high | 96.8 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 15% | 0.154 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 120.9 | 172.6 | -64.6 | 164.6 | 0 | 0 | 0 | 108.1 | T85 V86 A87 M149 A171 L172 | T85-I118 PolarHBondContact O-N 2.99Å; V86-I118 CarbonylContact C-O 3.5Å; V86-I118 VanDerWaalsContact CA-O 3.23Å; V86-I118 WeakPolarHBondContact CA-O 3.43Å; V86-I118 HydrophobicContact CG1-CG2 4.39Å; V86-I118 HydrophobicContact CG2-CB 4.09Å; V86-I118 HydrophobicContact CG2-CD1 4.29Å; V86-I118 HydrophobicContact CG2-CG2 4.41Å; A87-I118 PolarHBondContact N-O 3.33Å; I118-M149 HydrophobicContact CG2-CE 3.09Å; I118-A171 HydrophobicContact CD1-CB 3.99Å; I118-A171 WeakPolarHBondContact CD1-O 3.48Å; I118-A171 HydrophobicContact CG2-CB 4.08Å; I118-L172 HydrophobicContact CD1-CD2 4.16Å |
| 119 | I | 98.5 | Very high | 96.8 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.9 | 179.5 | -51.3 | -179.2 | 0 | 0 | 0 | 109.7 | A87 V89 I106 V109 R110 V117 V148 M149 | A87-I119 WeakPolarHBondContact O-CA 3.4Å; V89-I119 HydrophobicContact CG2-CG2 4.24Å; I106-I119 HydrophobicContact CG1-CG2 4.12Å; I106-I119 HydrophobicContact CG2-CD1 4.1Å; V109-I119 HydrophobicContact CB-CD1 4.35Å; V109-I119 HydrophobicContact CG1-CD1 3.67Å; V109-I119 HydrophobicContact CG1-CG1 3.97Å; R110-I119 HydrophobicContact CG-CD1 4.29Å; V117-I119 HydrophobicContact CG1-CD1 4.11Å; V117-I119 HydrophobicContact CG1-CG1 3.93Å; V117-I119 PolarHBondContact O-N 3.47Å; I119-V148 HydrophobicContact CB-CB 4.01Å; I119-V148 HydrophobicContact CB-CG1 3.62Å; I119-V148 HydrophobicContact CD1-CG1 4.21Å; I119-V148 HydrophobicContact CG1-CG1 4.43Å; I119-V148 HydrophobicContact CG2-CB 4.05Å; I119-V148 HydrophobicContact CG2-CG1 3.71Å; I119-M149 PolarHBondContact O-N 3.32Å |
| 120 | M | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 112.6 | 174.9 | 176.6 | 65.1 | 79.3 | 0 | 0 | 109.5 | A87 V88 V89 V122 M149 I151 L164 K167 V168 | A87-M120 PolarHBondContact O-N 3.1Å; V88-M120 CarbonylContact C-O 3.59Å; V88-M120 WeakPolarHBondContact CA-O 3.42Å; V89-M120 PolarHBondContact N-O 3.31Å; M120-V122 HydrophobicContact CG-CG2 3.74Å; M120-M149 HydrophobicContact CB-CE 4.27Å; M120-M149 HydrophobicContact CE-CB 3.62Å; M120-M149 HydrophobicContact CE-CE 3.8Å; M120-M149 HydrophobicContact CE-CG 4.37Å; M120-M149 HydrophobicContact CE-SD 3.85Å; M120-M149 HydrophobicContact SD-CB 3.59Å; M120-M149 VanDerWaalsContact SD-CB 3.59Å; M120-I151 HydrophobicContact CG-CG2 4.46Å; M120-I151 HydrophobicContact SD-CB 4.41Å; M120-I151 HydrophobicContact SD-CG2 3.84Å; M120-L164 HydrophobicContact CE-CD1 4.32Å; M120-L164 HydrophobicContact CG-CD1 3.47Å; M120-L164 VanDerWaalsContact CG-CD1 3.47Å; M120-L164 HydrophobicContact SD-CD1 4.24Å; M120-K167 HydrophobicContact CE-CB 3.66Å; M120-K167 HydrophobicContact CE-CD 4.03Å; M120-V168 HydrophobicContact CB-CG2 4.43Å; M120-V168 HydrophobicContact CE-CG2 4.3Å |
| 121 | L | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.8 | 170.1 | -177.7 | 64.1 | 0 | 0 | 0 | 109.7 | V89 Y91 T102 K142 A143 V148 M149 F150 I151 | V89-L121 HydrophobicContact CG1-CD1 4.46Å; V89-L121 CarbonylContact O-C 3.59Å; V89-L121 WeakPolarHBondContact O-CA 3.3Å; Y91-L121 HydrophobicContact CD1-CD1 3.92Å; Y91-L121 HydrophobicContact CD1-CG 4.37Å; Y91-L121 HydrophobicContact CE1-CD1 4.17Å; Y91-L121 HydrophobicContact CE1-CD2 4.47Å; Y91-L121 HydrophobicContact CE1-CG 4.12Å; T102-L121 HydrophobicContact CG2-CD1 3.81Å; L121-K142 HydrophobicContact CD2-CG 4.42Å; L121-A143 HydrophobicContact CD2-CB 4.17Å; L121-V148 HydrophobicContact CB-CG2 4.03Å; L121-M149 PolarHBondContact N-O 2.83Å; L121-F150 HydrophobicContact CB-CD2 4.26Å; L121-F150 HydrophobicContact CD2-CD2 4.16Å; L121-F150 HydrophobicContact CG-CD2 4.12Å; L121-F150 WeakPolarHBondContact O-CA 3.5Å; L121-I151 PolarHBondContact O-N 2.86Å |
| 122 | V | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 115.1 | -176 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | L27 V88 V89 V90 Y91 M120 I151 T153 L164 | L27-V122 HydrophobicContact CD1-CG1 4.14Å; V88-V122 HydrophobicContact CG1-CG2 3.57Å; V89-V122 PolarHBondContact O-N 3.01Å; V90-V122 WeakPolarHBondContact CA-O 3.49Å; V90-V122 HydrophobicContact CG1-CB 4.46Å; V90-V122 HydrophobicContact CG2-CB 4.29Å; Y91-V122 VanDerWaalsContact CD1-O 3.28Å; Y91-V122 WeakPolarHBondContact CD1-O 3.47Å; Y91-V122 PolarHBondContact N-O 2.99Å; M120-V122 HydrophobicContact CG-CG2 3.74Å; V122-I151 WeakPolarHBondContact CA-O 3.17Å; V122-I151 HydrophobicContact CG2-CG2 4.12Å; V122-T153 HydrophobicContact CG1-CG2 3.88Å; V122-T153 VanDerWaalsContact CG1-OG1 3.25Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.5Å; V122-L164 HydrophobicContact CG2-CD1 3.71Å; V122-L164 HydrophobicContact CG2-CD2 4.19Å |
| 123 | G | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 109.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110 | I151 E152 T153 | G123-I151 PolarHBondContact N-O 2.83Å; G123-I151 VanDerWaalsContact N-O 3.17Å; G123-E152 CarbonylContact O-C 3.6Å; G123-E152 WeakPolarHBondContact O-CA 3.28Å; G123-T153 PolarHBondContact O-N 3.46Å |
| 124 | N | 98.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 165.8 | -178.2 | -172.4 | 35.4 | 0 | 0 | 0 | 111.8 | V22 L27 V90 Y91 I93 T153 A155 | V22-N124 PolarHBondContact O-ND2 3.12Å; L27-N124 HydrophobicContact CD1-CB 4.35Å; V90-N124 HydrophobicContact CG1-CB 3.8Å; Y91-N124 PolarHBondContact O-N 2.88Å; I93-N124 WeakPolarHBondContact CG1-O 3.19Å; I93-N124 WeakPolarHBondContact CG2-O 3.25Å; I93-N124 PolarHBondContact N-O 2.9Å; N124-T153 CarbonylContact C-O 3.39Å; N124-T153 VanDerWaalsContact CA-O 3.31Å; N124-T153 WeakPolarHBondContact CA-O 3.05Å; N124-T153 PolarHBondContact OD1-O 3.25Å; N124-T153 PolarHBondContact OD1-OG1 3.44Å; N124-A155 PolarHBondContact OD1-N 2.6Å |
| 125 | K | 98.6 | Very high | 97.3 | Very high | 45 Ų | 45 | 49.4 Ų | 49.4 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | trans | 73 | 36.6 | 179.9 | -45.4 | -168 | -165.6 | 169.7 | 0 | 114.3 | S21 D92 I93 D127 L128 T153 | S21-K125 WeakPolarHBondContact O-CE 3.02Å; S21-K125 PolarHBondContact O-NZ 3.1Å; D92-K125 HydrophobicContact CB-CD 4.33Å; D92-K125 WeakPolarHBondContact OD2-CD 3.44Å; D92-K125 WeakPolarHBondContact OD2-CE 3.2Å; D92-K125 IonicContact OD2-NZ 2.8Å; D92-K125 PolarHBondContact OD2-NZ 3.16Å; I93-K125 WeakPolarHBondContact CD1-O 3.32Å; K125-D127 WeakPolarHBondContact CA-OD1 3.32Å; K125-D127 PolarHBondContact O-N 2.89Å; K125-L128 HydrophobicContact CB-CD1 4.24Å; K125-L128 HydrophobicContact CD-CD1 4.21Å; K125-L128 WeakPolarHBondContact O-CB 3.34Å; K125-L128 PolarHBondContact O-N 2.55Å; K125-T153 PolarHBondContact N-O 3.35Å | ||
| 126 | T | 98.7 | Very high | 97.8 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -61.2 | -13.6 | 173.6 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | I93 L128 A129 E152 T153 S154 | I93-T126 HydrophobicContact CD1-CG2 4.31Å; T126-L128 PolarHBondContact O-N 3.48Å; T126-A129 PolarHBondContact O-N 3.46Å; T126-E152 HydrophobicContact CG2-CB 3.74Å; T126-E152 HydrophobicContact CG2-CG 4.5Å; T126-T153 PolarHBondContact N-O 3.37Å; T126-T153 PolarHBondContact OG1-O 3.43Å; T126-S154 WeakPolarHBondContact OG1-CB 3.5Å |
| 127 | D | 98.5 | Very high | 98.3 | Very high | 56 Ų | 56 | 44.7 Ų | 44.7 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -65.5 | -14 | 168.3 | 57.3 | -74.1 | 0 | 0 | 0 | 113.8 | K125 S154 K156 A157 | K125-D127 WeakPolarHBondContact CA-OD1 3.32Å; K125-D127 PolarHBondContact O-N 2.89Å; D127-S154 WeakPolarHBondContact CB-OG 3.4Å; D127-S154 VanDerWaalsContact CG-OG 3.28Å; D127-S154 WeakPolarHBondContact OD1-CB 3.16Å; D127-S154 PolarHBondContact OD1-OG 3.36Å; D127-K156 WeakPolarHBondContact OD2-CD 3.31Å; D127-A157 HydrophobicContact CB-CB 4.42Å |
| 128 | L | 98 | Very high | 98.4 | Very high | 46 Ų | 46 | 47.1 Ų | 47.1 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -106.1 | 37.9 | 176.1 | -56.8 | 178.9 | 0 | 0 | 0 | 111.6 | T94 K125 T126 D130 K131 R132 | T94-L128 HydrophobicContact CG2-CB 3.59Å; T94-L128 HydrophobicContact CG2-CD1 4.14Å; K125-L128 HydrophobicContact CB-CD1 4.24Å; K125-L128 HydrophobicContact CD-CD1 4.21Å; K125-L128 WeakPolarHBondContact O-CB 3.34Å; K125-L128 PolarHBondContact O-N 2.55Å; T126-L128 PolarHBondContact O-N 3.48Å; L128-D130 VanDerWaalsContact C-OD1 3.29Å; L128-D130 PolarHBondContact O-N 3.04Å; L128-K131 CarbonylContact O-C 3.56Å; L128-K131 WeakPolarHBondContact O-CA 3.49Å; L128-K131 PolarHBondContact O-N 3.02Å; L128-R132 PolarHBondContact O-N 3.34Å |
| 129 | A | 97.2 | Very high | 98.5 | Very high | 58 Ų | 58 | 45.7 Ų | 45.7 | 48% | 0.479 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -57.8 | -29 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | T126 K131 R132 | T126-A129 PolarHBondContact O-N 3.46Å; A129-K131 PolarHBondContact O-N 3.17Å; A129-R132 VanDerWaalsContact O-CB 3.23Å; A129-R132 WeakPolarHBondContact O-CB 3.11Å; A129-R132 PolarHBondContact O-N 3.26Å |
| 130 | D | 98 | Very high | 98.5 | Very high | 131 Ų | 131 | 50 Ų | 50 | 70% | 0.701 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -62.9 | -21.5 | 173.5 | 63 | -50 | 0 | 0 | 0 | 113.5 | L128 | L128-D130 VanDerWaalsContact C-OD1 3.29Å; L128-D130 PolarHBondContact O-N 3.04Å |
| 131 | K | 98.3 | Very high | 98.5 | Very high | 128 Ų | 128 | 56.3 Ų | 56.3 | 56% | 0.557 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -111.7 | 12.3 | 178.7 | -61.3 | 176.2 | -174.3 | 178 | 0 | 112.5 | T94 L128 A129 Q133 | T94-K131 WeakPolarHBondContact CA-O 3.23Å; T94-K131 WeakPolarHBondContact CB-O 3.44Å; T94-K131 HydrophobicContact CG2-CB 3.83Å; T94-K131 WeakPolarHBondContact CG2-O 3.3Å; L128-K131 CarbonylContact O-C 3.56Å; L128-K131 WeakPolarHBondContact O-CA 3.49Å; L128-K131 PolarHBondContact O-N 3.02Å; A129-K131 PolarHBondContact O-N 3.17Å; K131-Q133 PolarHBondContact O-N 3.13Å |
| 132 | R | 98.6 | Very high | 98.5 | Very high | 74 Ų | 74 | 57.1 Ų | 57.1 | 28% | 0.279 | 28% | 0.281 | S | S | . | . | trans | -57.7 | 128.9 | -179.1 | -179.9 | 179.2 | -76 | -89.1 | 12 | 110 | I93 L128 A129 I134 E152 | I93-R132 HydrophobicContact CD1-CB 4.21Å; I93-R132 HydrophobicContact CD1-CG 4.21Å; L128-R132 PolarHBondContact O-N 3.34Å; A129-R132 VanDerWaalsContact O-CB 3.23Å; A129-R132 WeakPolarHBondContact O-CB 3.11Å; A129-R132 PolarHBondContact O-N 3.26Å; R132-I134 WeakPolarHBondContact CD-O 3.43Å; R132-I134 WeakPolarHBondContact CG-O 3.2Å; R132-I134 PolarHBondContact NH1-O 2.96Å; R132-E152 IonicContact CZ-OE1 2.67Å; R132-E152 IonicContact CZ-OE2 3.64Å; R132-E152 IonicContact NH1-OE1 2.77Å; R132-E152 PolarHBondContact NH1-OE1 3.28Å; R132-E152 IonicContact NH1-OE2 2.89Å; R132-E152 IonicContact NH2-OE1 3.64Å; R132-E152 PolarHBondContact NH2-OE1 2.75Å; R132-E152 IonicContact NH2-OE2 3.89Å; R132-E152 PolarHBondContact NH2-OE2 3.15Å | ||
| 133 | Q | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 57.2 Ų | 57.2 | 53% | 0.528 | 28% | 0.282 | S | S | . | . | trans | -109.9 | -20.6 | 173.9 | -62.9 | -170.7 | -26.8 | 0 | 0 | 112.5 | I93 T94 T96 K131 | I93-Q133 PolarHBondContact O-N 3.28Å; T94-Q133 WeakPolarHBondContact O-CG 3.42Å; T94-Q133 PolarHBondContact O-OE1 3.24Å; T96-Q133 WeakPolarHBondContact OG1-CB 3.36Å; T96-Q133 PolarHBondContact OG1-OE1 2.73Å; K131-Q133 PolarHBondContact O-N 3.13Å | ||
| 134 | I | 98.5 | Very high | 98.5 | Very high | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -119.6 | 123.4 | 179.4 | -55.7 | -59.5 | 0 | 0 | 0 | 108.9 | Y91 I93 T96 F99 R132 E138 | Y91-I134 HydrophobicContact CE2-CB 4.2Å; Y91-I134 HydrophobicContact CE2-CG2 3.99Å; I93-I134 PolarHBondContact O-N 3.29Å; I93-I134 VanDerWaalsContact O-N 3.13Å; T96-I134 HydrophobicContact CG2-CD1 4Å; F99-I134 HydrophobicContact CB-CD1 4.04Å; F99-I134 HydrophobicContact CB-CG1 3.79Å; F99-I134 HydrophobicContact CD1-CD1 3.67Å; F99-I134 HydrophobicContact CD1-CG1 4.16Å; F99-I134 HydrophobicContact CD1-CG2 4.17Å; F99-I134 HydrophobicContact CD2-CG2 3.94Å; F99-I134 HydrophobicContact CE1-CD1 4.37Å; F99-I134 HydrophobicContact CE1-CG2 4.26Å; F99-I134 HydrophobicContact CE2-CG2 4.03Å; F99-I134 HydrophobicContact CG-CD1 3.99Å; F99-I134 HydrophobicContact CG-CG1 3.95Å; F99-I134 HydrophobicContact CG-CG2 4Å; F99-I134 HydrophobicContact CZ-CG2 4.18Å; R132-I134 WeakPolarHBondContact CD-O 3.43Å; R132-I134 WeakPolarHBondContact CG-O 3.2Å; R132-I134 PolarHBondContact NH1-O 2.96Å; I134-E138 WeakPolarHBondContact CA-OE2 3.25Å; I134-E138 HydrophobicContact CG2-CB 3.92Å |
| 135 | S | 98.4 | Very high | 98.4 | Very high | 36 Ų | 36 | 71.1 Ų | 71.1 | 25% | 0.252 | 35% | 0.347 | S | S | . | . | trans | -70.8 | 159.9 | 177.1 | 99.2 | 0 | 0 | 0 | 0 | 111.6 | E137 E138 G139 | S135-E137 VanDerWaalsContact C-N 3.26Å; S135-E137 WeakPolarHBondContact CB-OE2 3.34Å; S135-E137 PolarHBondContact O-N 2.82Å; S135-E137 PolarHBondContact OG-N 3.06Å; S135-E137 PolarHBondContact OG-OE2 2.96Å; S135-E138 PolarHBondContact N-OE2 2.81Å; S135-E138 PolarHBondContact O-N 2.77Å; S135-E138 PolarHBondContact OG-N 3.17Å; S135-E138 VanDerWaalsContact OG-N 3.1Å; S135-G139 PolarHBondContact O-N 3.41Å | ||
| 136 | T | 98.5 | Very high | 98.3 | Very high | 41 Ų | 41 | 70.4 Ų | 70.4 | 25% | 0.252 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 175.6 | -55.8 | 0 | 0 | 0 | 0 | 110.1 | E138 G139 E140 F150 E152 | T136-E138 VanDerWaalsContact C-N 3.34Å; T136-E138 PolarHBondContact O-N 2.9Å; T136-G139 WeakPolarHBondContact O-CA 3.27Å; T136-G139 PolarHBondContact O-N 3.2Å; T136-G139 VanDerWaalsContact O-N 3.12Å; T136-E140 WeakPolarHBondContact O-CG 3.2Å; T136-E140 PolarHBondContact O-N 3.08Å; T136-F150 HydrophobicContact CG2-CE1 4.09Å; T136-E152 HydrophobicContact CG2-CG 4.32Å; T136-E152 PolarHBondContact OG1-OE1 3.43Å; T136-E152 PolarHBondContact OG1-OE2 2.9Å |
| 137 | E | 98.5 | Very high | 98.2 | Very high | 124 Ų | 124 | 76 Ų | 76 | 58% | 0.579 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.4 | -36.8 | 177.6 | -55.8 | 74.5 | -164.4 | 0 | 0 | 112.1 | S135 G139 E140 R141 | S135-E137 VanDerWaalsContact C-N 3.26Å; S135-E137 WeakPolarHBondContact CB-OE2 3.34Å; S135-E137 PolarHBondContact O-N 2.82Å; S135-E137 PolarHBondContact OG-N 3.06Å; S135-E137 PolarHBondContact OG-OE2 2.96Å; E137-G139 VanDerWaalsContact C-N 3.34Å; E137-E140 PolarHBondContact O-N 3.47Å; E137-R141 WeakPolarHBondContact O-CB 3.2Å; E137-R141 PolarHBondContact O-N 3.13Å |
| 138 | E | 98.6 | Very high | 98.2 | Very high | 63 Ų | 63 | 74.4 Ų | 74.4 | 29% | 0.294 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 173.4 | -70.3 | 178.8 | 114.5 | 0 | 0 | 111.8 | F99 I134 S135 T136 K142 | F99-E138 HydrophobicContact CZ-CB 4.39Å; I134-E138 WeakPolarHBondContact CA-OE2 3.25Å; I134-E138 HydrophobicContact CG2-CB 3.92Å; S135-E138 PolarHBondContact N-OE2 2.81Å; S135-E138 PolarHBondContact O-N 2.77Å; S135-E138 PolarHBondContact OG-N 3.17Å; S135-E138 VanDerWaalsContact OG-N 3.1Å; T136-E138 VanDerWaalsContact C-N 3.34Å; T136-E138 PolarHBondContact O-N 2.9Å; E138-K142 WeakPolarHBondContact O-CB 3.36Å; E138-K142 PolarHBondContact O-N 2.72Å |
| 139 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S135 T136 E137 A143 | S135-G139 PolarHBondContact O-N 3.41Å; T136-G139 WeakPolarHBondContact O-CA 3.27Å; T136-G139 PolarHBondContact O-N 3.2Å; T136-G139 VanDerWaalsContact O-N 3.12Å; E137-G139 VanDerWaalsContact C-N 3.34Å; G139-A143 WeakPolarHBondContact O-CB 3.47Å; G139-A143 PolarHBondContact O-N 2.97Å |
| 140 | E | 98.6 | Very high | 98.3 | Very high | 105 Ų | 105 | 73.3 Ų | 73.3 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.3 | -49.4 | 176.8 | -73 | 176.5 | 170 | 0 | 0 | 111.7 | T136 E137 K142 A143 E144 F150 | T136-E140 WeakPolarHBondContact O-CG 3.2Å; T136-E140 PolarHBondContact O-N 3.08Å; E137-E140 PolarHBondContact O-N 3.47Å; E140-K142 VanDerWaalsContact C-N 3.33Å; E140-K142 PolarHBondContact O-N 3.38Å; E140-A143 WeakPolarHBondContact O-CB 3.44Å; E140-A143 PolarHBondContact O-N 2.79Å; E140-A143 VanDerWaalsContact O-N 3.08Å; E140-E144 PolarHBondContact O-N 2.79Å; E140-F150 HydrophobicContact CB-CD1 4.39Å; E140-F150 HydrophobicContact CG-CD1 3.43Å; E140-F150 VanDerWaalsContact CG-CD1 3.43Å; E140-F150 HydrophobicContact CG-CE1 3.51Å; E140-F150 HydrophobicContact CG-CG 4.43Å |
| 141 | R | 98.7 | Very high | 98.4 | Very high | 132 Ų | 132 | 67.4 Ų | 67.4 | 50% | 0.498 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 177.9 | -173.2 | -175.5 | 69 | -138.9 | -7.3 | 111.1 | E137 A143 E144 E145 | E137-R141 WeakPolarHBondContact O-CB 3.2Å; E137-R141 PolarHBondContact O-N 3.13Å; R141-A143 VanDerWaalsContact C-N 3.3Å; R141-A143 PolarHBondContact O-N 2.64Å; R141-E144 PolarHBondContact O-N 3.35Å; R141-E145 HydrophobicContact CG-CG 4.41Å; R141-E145 WeakPolarHBondContact CG-OE1 3.47Å; R141-E145 IonicContact NE-OE1 2.72Å; R141-E145 PolarHBondContact NE-OE1 3.47Å; R141-E145 WeakPolarHBondContact O-CB 3.31Å; R141-E145 VanDerWaalsContact O-CG 3.27Å; R141-E145 WeakPolarHBondContact O-CG 3.49Å; R141-E145 PolarHBondContact O-N 3.26Å |
| 142 | K | 98.7 | Very high | 98.4 | Very high | 16 Ų | 16 | 62.2 Ų | 62.2 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.2 | -38 | 177.3 | -176 | 169.7 | -171.8 | 169.9 | 0 | 112.1 | F99 H100 T102 S103 L121 E138 E140 L146 | F99-K142 HydrophobicContact CD2-CD 4.27Å; F99-K142 HydrophobicContact CE1-CD 4.02Å; F99-K142 HydrophobicContact CE2-CB 4.12Å; F99-K142 HydrophobicContact CE2-CD 3.52Å; F99-K142 HydrophobicContact CE2-CG 4.41Å; F99-K142 HydrophobicContact CZ-CB 3.78Å; F99-K142 HydrophobicContact CZ-CD 3.38Å; F99-K142 HydrophobicContact CZ-CG 4.2Å; F99-K142 PolarHBondContact O-NZ 3.41Å; H100-K142 PolarHBondContact O-NZ 3.45Å; T102-K142 WeakPolarHBondContact OG1-CE 3.45Å; T102-K142 PolarHBondContact OG1-NZ 2.91Å; S103-K142 WeakPolarHBondContact OG-CE 3.41Å; S103-K142 PolarHBondContact OG-NZ 2.8Å; L121-K142 HydrophobicContact CD2-CG 4.42Å; E138-K142 WeakPolarHBondContact O-CB 3.36Å; E138-K142 PolarHBondContact O-N 2.72Å; E140-K142 VanDerWaalsContact C-N 3.33Å; E140-K142 PolarHBondContact O-N 3.38Å; K142-L146 HydrophobicContact CG-CD1 3.88Å; K142-L146 HydrophobicContact CG-CG 4.43Å; K142-L146 VanDerWaalsContact O-CB 3.3Å; K142-L146 WeakPolarHBondContact O-CB 3.41Å; K142-L146 VanDerWaalsContact O-CG 3.29Å; K142-L146 WeakPolarHBondContact O-CG 3.38Å; K142-L146 PolarHBondContact O-N 3.43Å |
| 143 | A | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.4 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L121 G139 E140 R141 L146 N147 V148 F150 | L121-A143 HydrophobicContact CD2-CB 4.17Å; G139-A143 WeakPolarHBondContact O-CB 3.47Å; G139-A143 PolarHBondContact O-N 2.97Å; E140-A143 WeakPolarHBondContact O-CB 3.44Å; E140-A143 PolarHBondContact O-N 2.79Å; E140-A143 VanDerWaalsContact O-N 3.08Å; R141-A143 VanDerWaalsContact C-N 3.3Å; R141-A143 PolarHBondContact O-N 2.64Å; A143-L146 CarbonylContact O-C 3.58Å; A143-L146 PolarHBondContact O-N 3.32Å; A143-N147 WeakPolarHBondContact O-CA 3.47Å; A143-N147 PolarHBondContact O-N 3.42Å; A143-V148 HydrophobicContact CB-CG2 3.98Å; A143-V148 PolarHBondContact O-N 2.85Å; A143-F150 HydrophobicContact CB-CB 3.6Å; A143-F150 HydrophobicContact CB-CD2 4.38Å; A143-F150 HydrophobicContact CB-CG 4.22Å |
| 144 | E | 98.4 | Very high | 98.4 | Very high | 160 Ų | 160 | 53.3 Ų | 53.3 | 75% | 0.748 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.9 | -50.4 | 173.9 | -174.8 | 178.1 | -166.8 | 0 | 0 | 111.5 | E140 R141 L146 N147 | E140-E144 PolarHBondContact O-N 2.79Å; R141-E144 PolarHBondContact O-N 3.35Å; E144-L146 PolarHBondContact O-N 3.04Å; E144-N147 PolarHBondContact O-N 2.86Å |
| 145 | E | 98 | Very high | 98.4 | Very high | 135 Ų | 135 | 53.2 Ų | 53.2 | 63% | 0.631 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -55.1 | -40.1 | 176 | -75.2 | 170.1 | -173.2 | 0 | 0 | 112 | R141 | R141-E145 HydrophobicContact CG-CG 4.41Å; R141-E145 WeakPolarHBondContact CG-OE1 3.47Å; R141-E145 IonicContact NE-OE1 2.72Å; R141-E145 PolarHBondContact NE-OE1 3.47Å; R141-E145 WeakPolarHBondContact O-CB 3.31Å; R141-E145 VanDerWaalsContact O-CG 3.27Å; R141-E145 WeakPolarHBondContact O-CG 3.49Å; R141-E145 PolarHBondContact O-N 3.26Å |
| 146 | L | 97 | Very high | 98.4 | Very high | 29 Ų | 29 | 56.3 Ų | 56.3 | 15% | 0.152 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -0.4 | 178 | -63.4 | 176.9 | 0 | 0 | 0 | 112.9 | I106 R110 K142 A143 E144 V148 | I106-L146 HydrophobicContact CD1-CD1 3.54Å; R110-L146 PolarHBondContact NH2-O 3.24Å; K142-L146 HydrophobicContact CG-CD1 3.88Å; K142-L146 HydrophobicContact CG-CG 4.43Å; K142-L146 VanDerWaalsContact O-CB 3.3Å; K142-L146 WeakPolarHBondContact O-CB 3.41Å; K142-L146 VanDerWaalsContact O-CG 3.29Å; K142-L146 WeakPolarHBondContact O-CG 3.38Å; K142-L146 PolarHBondContact O-N 3.43Å; A143-L146 CarbonylContact O-C 3.58Å; A143-L146 PolarHBondContact O-N 3.32Å; E144-L146 PolarHBondContact O-N 3.04Å; L146-V148 HydrophobicContact CB-CG1 4.29Å; L146-V148 HydrophobicContact CB-CG2 4.25Å; L146-V148 WeakPolarHBondContact O-CG1 3.37Å; L146-V148 PolarHBondContact O-N 3.23Å |
| 147 | N | 96.9 | Very high | 98.4 | Very high | 143 Ų | 143 | 57.8 Ų | 57.8 | 77% | 0.765 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 54.3 | -175.6 | -171.7 | 35.5 | 0 | 0 | 0 | 113.1 | A143 E144 | A143-N147 WeakPolarHBondContact O-CA 3.47Å; A143-N147 PolarHBondContact O-N 3.42Å; E144-N147 PolarHBondContact O-N 2.86Å |
| 148 | V | 98.1 | Very high | 98.3 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | trans | -128.5 | 160.8 | 177.2 | -57.5 | 0 | 0 | 0 | 0 | 110.4 | I106 I119 L121 A143 L146 | I106-V148 HydrophobicContact CD1-CG2 4.42Å; I119-V148 HydrophobicContact CB-CB 4.01Å; I119-V148 HydrophobicContact CB-CG1 3.62Å; I119-V148 HydrophobicContact CD1-CG1 4.21Å; I119-V148 HydrophobicContact CG1-CG1 4.43Å; I119-V148 HydrophobicContact CG2-CB 4.05Å; I119-V148 HydrophobicContact CG2-CG1 3.71Å; L121-V148 HydrophobicContact CB-CG2 4.03Å; A143-V148 HydrophobicContact CB-CG2 3.98Å; A143-V148 PolarHBondContact O-N 2.85Å; L146-V148 HydrophobicContact CB-CG1 4.29Å; L146-V148 HydrophobicContact CB-CG2 4.25Å; L146-V148 WeakPolarHBondContact O-CG1 3.37Å; L146-V148 PolarHBondContact O-N 3.23Å | ||
| 149 | M | 98.4 | Very high | 98.3 | Very high | 56 Ų | 56 | 55 Ų | 55 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 155.2 | 175 | -66.2 | -177 | -69.1 | 0 | 0 | 111.4 | I118 I119 M120 L121 A171 | I118-M149 HydrophobicContact CG2-CE 3.09Å; I119-M149 PolarHBondContact O-N 3.32Å; M120-M149 HydrophobicContact CB-CE 4.27Å; M120-M149 HydrophobicContact CE-CB 3.62Å; M120-M149 HydrophobicContact CE-CE 3.8Å; M120-M149 HydrophobicContact CE-CG 4.37Å; M120-M149 HydrophobicContact CE-SD 3.85Å; M120-M149 HydrophobicContact SD-CB 3.59Å; M120-M149 VanDerWaalsContact SD-CB 3.59Å; L121-M149 PolarHBondContact N-O 2.83Å; M149-A171 HydrophobicContact CE-CB 4.16Å; M149-A171 HydrophobicContact SD-CB 4.13Å |
| 150 | F | 98.7 | Very high | 98.3 | Very high | 24 Ų | 24 | 57 Ų | 57 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 145.9 | 177.8 | -177.8 | -111 | 0 | 0 | 0 | 113.8 | Y91 L121 T136 E140 A143 E152 K167 | Y91-F150 HydrophobicContact CE1-CE2 4.2Å; L121-F150 HydrophobicContact CB-CD2 4.26Å; L121-F150 HydrophobicContact CD2-CD2 4.16Å; L121-F150 HydrophobicContact CG-CD2 4.12Å; L121-F150 WeakPolarHBondContact O-CA 3.5Å; T136-F150 HydrophobicContact CG2-CE1 4.09Å; E140-F150 HydrophobicContact CB-CD1 4.39Å; E140-F150 HydrophobicContact CG-CD1 3.43Å; E140-F150 VanDerWaalsContact CG-CD1 3.43Å; E140-F150 HydrophobicContact CG-CE1 3.51Å; E140-F150 HydrophobicContact CG-CG 4.43Å; A143-F150 HydrophobicContact CB-CB 3.6Å; A143-F150 HydrophobicContact CB-CD2 4.38Å; A143-F150 HydrophobicContact CB-CG 4.22Å; F150-E152 HydrophobicContact CE1-CG 3.95Å; F150-E152 HydrophobicContact CE2-CG 4.43Å; F150-E152 HydrophobicContact CZ-CG 3.53Å; F150-K167 PolarHBondContact O-NZ 3.22Å |
| 151 | I | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.036 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 143.5 | 165.7 | -166.9 | 169.6 | 0 | 0 | 0 | 110.9 | M120 L121 V122 G123 T153 N160 Q163 L164 K167 | M120-I151 HydrophobicContact CG-CG2 4.46Å; M120-I151 HydrophobicContact SD-CB 4.41Å; M120-I151 HydrophobicContact SD-CG2 3.84Å; L121-I151 PolarHBondContact O-N 2.86Å; V122-I151 WeakPolarHBondContact CA-O 3.17Å; V122-I151 HydrophobicContact CG2-CG2 4.12Å; G123-I151 PolarHBondContact N-O 2.83Å; G123-I151 VanDerWaalsContact N-O 3.17Å; I151-T153 HydrophobicContact CG2-CG2 4.25Å; I151-N160 HydrophobicContact CD1-CB 3.9Å; I151-N160 HydrophobicContact CG1-CB 4.21Å; I151-Q163 HydrophobicContact CD1-CB 3.95Å; I151-Q163 HydrophobicContact CD1-CG 3.88Å; I151-L164 HydrophobicContact CD1-CB 4.4Å; I151-L164 HydrophobicContact CG2-CB 4.14Å; I151-L164 HydrophobicContact CG2-CD1 3.74Å; I151-L164 HydrophobicContact CG2-CG 4.48Å; I151-K167 HydrophobicContact CD1-CD 4.2Å |
| 152 | E | 98.8 | Very high | 98.1 | Very high | 20 Ų | 20 | 52 Ų | 52 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 145.8 | 165.6 | -63.9 | -160.9 | 142.3 | 0 | 0 | 112.1 | G123 T126 R132 T136 F150 N160 | G123-E152 CarbonylContact O-C 3.6Å; G123-E152 WeakPolarHBondContact O-CA 3.28Å; T126-E152 HydrophobicContact CG2-CB 3.74Å; T126-E152 HydrophobicContact CG2-CG 4.5Å; R132-E152 IonicContact CZ-OE1 2.67Å; R132-E152 IonicContact CZ-OE2 3.64Å; R132-E152 IonicContact NH1-OE1 2.77Å; R132-E152 PolarHBondContact NH1-OE1 3.28Å; R132-E152 IonicContact NH1-OE2 2.89Å; R132-E152 IonicContact NH2-OE1 3.64Å; R132-E152 PolarHBondContact NH2-OE1 2.75Å; R132-E152 IonicContact NH2-OE2 3.89Å; R132-E152 PolarHBondContact NH2-OE2 3.15Å; T136-E152 HydrophobicContact CG2-CG 4.32Å; T136-E152 PolarHBondContact OG1-OE1 3.43Å; T136-E152 PolarHBondContact OG1-OE2 2.9Å; F150-E152 HydrophobicContact CE1-CG 3.95Å; F150-E152 HydrophobicContact CE2-CG 4.43Å; F150-E152 HydrophobicContact CZ-CG 3.53Å; E152-N160 WeakPolarHBondContact O-CB 3.23Å; E152-N160 PolarHBondContact O-ND2 2.76Å |
| 153 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -140.7 | 159.4 | -174.7 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | L27 V122 G123 N124 K125 T126 I151 F159 N160 L164 | L27-T153 HydrophobicContact CD2-CG2 4.45Å; L27-T153 WeakPolarHBondContact CD2-OG1 3.16Å; V122-T153 HydrophobicContact CG1-CG2 3.88Å; V122-T153 VanDerWaalsContact CG1-OG1 3.25Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.5Å; G123-T153 PolarHBondContact O-N 3.46Å; N124-T153 CarbonylContact C-O 3.39Å; N124-T153 VanDerWaalsContact CA-O 3.31Å; N124-T153 WeakPolarHBondContact CA-O 3.05Å; N124-T153 PolarHBondContact OD1-O 3.25Å; N124-T153 PolarHBondContact OD1-OG1 3.44Å; K125-T153 PolarHBondContact N-O 3.35Å; T126-T153 PolarHBondContact N-O 3.37Å; T126-T153 PolarHBondContact OG1-O 3.43Å; I151-T153 HydrophobicContact CG2-CG2 4.25Å; T153-F159 WeakPolarHBondContact CA-O 3.47Å; T153-N160 HydrophobicContact CG2-CB 3.97Å; T153-L164 HydrophobicContact CG2-CB 4.26Å; T153-L164 HydrophobicContact CG2-CD2 4.37Å | ||
| 154 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -128.8 | 112.3 | 158.6 | 169.2 | 0 | 0 | 0 | 0 | 108.9 | T126 D127 K156 A157 G158 F159 | T126-S154 WeakPolarHBondContact OG1-CB 3.5Å; D127-S154 WeakPolarHBondContact CB-OG 3.4Å; D127-S154 VanDerWaalsContact CG-OG 3.28Å; D127-S154 WeakPolarHBondContact OD1-CB 3.16Å; D127-S154 PolarHBondContact OD1-OG 3.36Å; S154-K156 PolarHBondContact O-N 2.78Å; S154-K156 PolarHBondContact OG-N 3.25Å; S154-A157 WeakPolarHBondContact OG-CB 3.39Å; S154-A157 PolarHBondContact OG-N 2.84Å; S154-G158 CarbonylContact O-C 3.58Å; S154-G158 VanDerWaalsContact O-CA 3.25Å; S154-G158 WeakPolarHBondContact O-CA 3.09Å; S154-G158 PolarHBondContact O-N 3.18Å; S154-F159 PolarHBondContact N-O 3.42Å; S154-F159 PolarHBondContact O-N 2.82Å; S154-F159 VanDerWaalsContact O-N 3.13Å | ||
| 155 | A | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -36.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L27 R30 F36 N124 | L27-A155 HydrophobicContact CD2-CB 3.93Å; L27-A155 HydrophobicContact CG-CB 4.15Å; R30-A155 PolarHBondContact NE-O 2.67Å; F36-A155 HydrophobicContact CD2-CB 4.2Å; F36-A155 HydrophobicContact CE2-CB 4.25Å; N124-A155 PolarHBondContact OD1-N 2.6Å |
| 156 | K | 98.2 | Very high | 97.6 | Very high | 100 Ų | 100 | 47 Ų | 47 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -55.2 | -179.1 | -172.3 | -177 | -173.5 | -179.4 | 0 | 111.4 | R30 F36 D127 S154 G158 | R30-K156 PolarHBondContact NH2-O 2.95Å; F36-K156 HydrophobicContact CD1-CB 4.26Å; F36-K156 HydrophobicContact CD1-CG 3.89Å; F36-K156 HydrophobicContact CD2-CB 4.11Å; F36-K156 HydrophobicContact CE1-CB 4.07Å; F36-K156 HydrophobicContact CE1-CD 4.27Å; F36-K156 HydrophobicContact CE1-CG 3.76Å; F36-K156 HydrophobicContact CE2-CB 3.91Å; F36-K156 HydrophobicContact CE2-CG 4.5Å; F36-K156 HydrophobicContact CG-CB 4.28Å; F36-K156 HydrophobicContact CG-CG 4.32Å; F36-K156 HydrophobicContact CZ-CB 3.9Å; F36-K156 HydrophobicContact CZ-CG 4.09Å; D127-K156 WeakPolarHBondContact OD2-CD 3.31Å; S154-K156 PolarHBondContact O-N 2.78Å; S154-K156 PolarHBondContact OG-N 3.25Å; K156-G158 VanDerWaalsContact C-N 3.3Å; K156-G158 PolarHBondContact O-N 3.33Å |
| 157 | A | 97.6 | Very high | 97.5 | Very high | 73 Ų | 73 | 49.3 Ų | 49.3 | 60% | 0.603 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -11.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D127 S154 F159 | D127-A157 HydrophobicContact CB-CB 4.42Å; S154-A157 WeakPolarHBondContact OG-CB 3.39Å; S154-A157 PolarHBondContact OG-N 2.84Å; A157-F159 PolarHBondContact O-N 3.35Å |
| 158 | G | 98 | Very high | 97.4 | Very high | 27 Ų | 27 | 42.6 Ų | 42.6 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | trans | 76.6 | 1.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S154 K156 N160 V161 | S154-G158 CarbonylContact O-C 3.58Å; S154-G158 VanDerWaalsContact O-CA 3.25Å; S154-G158 WeakPolarHBondContact O-CA 3.09Å; S154-G158 PolarHBondContact O-N 3.18Å; K156-G158 VanDerWaalsContact C-N 3.3Å; K156-G158 PolarHBondContact O-N 3.33Å; G158-N160 PolarHBondContact O-N 3.33Å; G158-V161 PolarHBondContact O-N 2.93Å | ||
| 159 | F | 98.5 | Very high | 97 | Very high | 102 Ų | 102 | 41.6 Ų | 41.6 | 45% | 0.447 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 128.6 | -179.2 | 178.3 | -106.2 | 0 | 0 | 0 | 111.2 | T153 S154 A157 V161 | T153-F159 WeakPolarHBondContact CA-O 3.47Å; S154-F159 PolarHBondContact N-O 3.42Å; S154-F159 PolarHBondContact O-N 2.82Å; S154-F159 VanDerWaalsContact O-N 3.13Å; A157-F159 PolarHBondContact O-N 3.35Å; F159-V161 PolarHBondContact O-N 3.22Å |
| 160 | N | 98.4 | Very high | 96.6 | Very high | 41 Ų | 41 | 41.7 Ų | 41.7 | 22% | 0.219 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 3 | 178.2 | -75 | -1.9 | 0 | 0 | 0 | 117.4 | I151 E152 T153 G158 K162 Q163 L164 | I151-N160 HydrophobicContact CD1-CB 3.9Å; I151-N160 HydrophobicContact CG1-CB 4.21Å; E152-N160 WeakPolarHBondContact O-CB 3.23Å; E152-N160 PolarHBondContact O-ND2 2.76Å; T153-N160 HydrophobicContact CG2-CB 3.97Å; G158-N160 PolarHBondContact O-N 3.33Å; N160-K162 PolarHBondContact O-N 3.34Å; N160-Q163 HydrophobicContact CB-CB 4.46Å; N160-Q163 CarbonylContact O-C 3.44Å; N160-Q163 PolarHBondContact O-N 3.43Å; N160-Q163 VanDerWaalsContact O-N 3.09Å; N160-Q163 PolarHBondContact OD1-OE1 3.33Å; N160-L164 PolarHBondContact O-N 3.18Å |
| 161 | V | 98.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.3 | -47 | 179.7 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | L27 R30 F31 G158 F159 Q163 L164 F165 | L27-V161 HydrophobicContact CD2-CG2 3.76Å; R30-V161 HydrophobicContact CB-CG1 4.33Å; R30-V161 HydrophobicContact CG-CB 4Å; R30-V161 HydrophobicContact CG-CG1 3.91Å; R30-V161 HydrophobicContact CG-CG2 3.78Å; F31-V161 HydrophobicContact CB-CG1 3.86Å; G158-V161 PolarHBondContact O-N 2.93Å; F159-V161 PolarHBondContact O-N 3.22Å; V161-Q163 VanDerWaalsContact C-N 3.27Å; V161-Q163 PolarHBondContact O-N 2.68Å; V161-L164 WeakPolarHBondContact O-CB 3.47Å; V161-L164 PolarHBondContact O-N 2.85Å; V161-F165 HydrophobicContact CG1-CD2 4.4Å; V161-F165 HydrophobicContact CG1-CE2 4.14Å; V161-F165 VanDerWaalsContact O-CD2 3.28Å; V161-F165 WeakPolarHBondContact O-CD2 3.25Å; V161-F165 PolarHBondContact O-N 3.01Å |
| 162 | K | 95.4 | Very high | 95.9 | Very high | 130 Ų | 130 | 42.3 Ų | 42.3 | 57% | 0.565 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.3 | -36 | 174.7 | -69.2 | 178 | -177.5 | 170.3 | 0 | 112 | N160 R166 | N160-K162 PolarHBondContact O-N 3.34Å; K162-R166 WeakPolarHBondContact O-CG 3.45Å; K162-R166 PolarHBondContact O-N 3.25Å; K162-R166 VanDerWaalsContact O-N 3.08Å |
| 163 | Q | 96.5 | Very high | 95 | Very high | 86 Ų | 86 | 44.7 Ų | 44.7 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.9 | -37.1 | 179.8 | -169.3 | 177.9 | 13.5 | 0 | 0 | 112.2 | I151 N160 V161 F165 R166 K167 | I151-Q163 HydrophobicContact CD1-CB 3.95Å; I151-Q163 HydrophobicContact CD1-CG 3.88Å; N160-Q163 HydrophobicContact CB-CB 4.46Å; N160-Q163 CarbonylContact O-C 3.44Å; N160-Q163 PolarHBondContact O-N 3.43Å; N160-Q163 VanDerWaalsContact O-N 3.09Å; N160-Q163 PolarHBondContact OD1-OE1 3.33Å; V161-Q163 VanDerWaalsContact C-N 3.27Å; V161-Q163 PolarHBondContact O-N 2.68Å; Q163-F165 PolarHBondContact O-N 3.06Å; Q163-R166 PolarHBondContact O-N 2.9Å; Q163-K167 PolarHBondContact O-N 3.44Å |
| 164 | L | 97.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52.8 | -54 | 172.4 | 164.1 | 62.1 | 0 | 0 | 0 | 110.7 | V88 M120 V122 I151 T153 N160 V161 R166 K167 V168 | V88-L164 HydrophobicContact CG1-CD1 4.46Å; M120-L164 HydrophobicContact CE-CD1 4.32Å; M120-L164 HydrophobicContact CG-CD1 3.47Å; M120-L164 VanDerWaalsContact CG-CD1 3.47Å; M120-L164 HydrophobicContact SD-CD1 4.24Å; V122-L164 HydrophobicContact CG2-CD1 3.71Å; V122-L164 HydrophobicContact CG2-CD2 4.19Å; I151-L164 HydrophobicContact CD1-CB 4.4Å; I151-L164 HydrophobicContact CG2-CB 4.14Å; I151-L164 HydrophobicContact CG2-CD1 3.74Å; I151-L164 HydrophobicContact CG2-CG 4.48Å; T153-L164 HydrophobicContact CG2-CB 4.26Å; T153-L164 HydrophobicContact CG2-CD2 4.37Å; N160-L164 PolarHBondContact O-N 3.18Å; V161-L164 WeakPolarHBondContact O-CB 3.47Å; V161-L164 PolarHBondContact O-N 2.85Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 3.48Å; L164-K167 PolarHBondContact O-N 3.38Å; L164-V168 HydrophobicContact CD1-CG2 4.36Å; L164-V168 WeakPolarHBondContact O-CG2 3.38Å; L164-V168 PolarHBondContact O-N 3.32Å |
| 165 | F | 95.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.6 | -28.3 | -179.8 | -70.8 | -88.3 | 0 | 0 | 0 | 113.1 | L14 F16 F31 M53 L62 L64 V161 Q163 A169 | L14-F165 HydrophobicContact CD2-CD1 4.11Å; L14-F165 HydrophobicContact CD2-CE1 4.01Å; F16-F165 HydrophobicContact CE1-CZ 4.26Å; F16-F165 HydrophobicContact CE2-CE1 4.41Å; F16-F165 HydrophobicContact CE2-CZ 4.45Å; F16-F165 AromaticContact CZ-CE1 3.8Å; F16-F165 HydrophobicContact CZ-CE1 3.8Å; F16-F165 AromaticContact CZ-CZ 3.54Å; F16-F165 HydrophobicContact CZ-CZ 3.54Å; F31-F165 HydrophobicContact CB-CD2 3.84Å; F31-F165 HydrophobicContact CB-CE2 3.3Å; F31-F165 HydrophobicContact CB-CZ 3.76Å; F31-F165 AromaticContact CD1-CD1 3.85Å; F31-F165 HydrophobicContact CD1-CD1 3.85Å; F31-F165 AromaticContact CD1-CD2 3.91Å; F31-F165 HydrophobicContact CD1-CD2 3.91Å; F31-F165 AromaticContact CD1-CE1 3.57Å; F31-F165 HydrophobicContact CD1-CE1 3.57Å; F31-F165 AromaticContact CD1-CE2 3.7Å; F31-F165 HydrophobicContact CD1-CE2 3.7Å; F31-F165 AromaticContact CD1-CG 4Å; F31-F165 HydrophobicContact CD1-CG 4Å; F31-F165 AromaticContact CD1-CZ 3.49Å; F31-F165 HydrophobicContact CD1-CZ 3.49Å; F31-F165 VanDerWaalsContact CD1-CZ 3.49Å; F31-F165 HydrophobicContact CD2-CB 4.14Å; F31-F165 HydrophobicContact CD2-CD1 4.36Å; F31-F165 AromaticContact CD2-CD2 3.3Å; F31-F165 HydrophobicContact CD2-CD2 3.3Å; F31-F165 AromaticContact CD2-CE2 3.74Å; F31-F165 HydrophobicContact CD2-CE2 3.74Å; F31-F165 AromaticContact CD2-CG 3.68Å; F31-F165 HydrophobicContact CD2-CG 3.68Å; F31-F165 HydrophobicContact CD2-CZ 4.37Å; F31-F165 AromaticContact CE1-CD1 3.62Å; F31-F165 HydrophobicContact CE1-CD1 3.62Å; F31-F165 HydrophobicContact CE1-CD2 4.27Å; F31-F165 AromaticContact CE1-CE1 3.74Å; F31-F165 HydrophobicContact CE1-CE1 3.74Å; F31-F165 HydrophobicContact CE1-CE2 4.42Å; F31-F165 AromaticContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE1-CZ 4.14Å; F31-F165 HydrophobicContact CE2-CB 3.67Å; F31-F165 HydrophobicContact CE2-CD1 4.18Å; F31-F165 AromaticContact CE2-CD2 3.74Å; F31-F165 HydrophobicContact CE2-CD2 3.74Å; F31-F165 HydrophobicContact CE2-CE2 4.46Å; F31-F165 AromaticContact CE2-CG 3.59Å; F31-F165 HydrophobicContact CE2-CG 3.59Å; F31-F165 HydrophobicContact CG-CD1 4.2Å; F31-F165 AromaticContact CG-CD2 3.4Å; F31-F165 HydrophobicContact CG-CD2 3.4Å; F31-F165 HydrophobicContact CG-CE1 4.06Å; F31-F165 AromaticContact CG-CE2 3.29Å; F31-F165 HydrophobicContact CG-CE2 3.29Å; F31-F165 AromaticContact CG-CG 3.88Å; F31-F165 HydrophobicContact CG-CG 3.88Å; F31-F165 AromaticContact CG-CZ 3.61Å; F31-F165 HydrophobicContact CG-CZ 3.61Å; F31-F165 HydrophobicContact CZ-CB 3.91Å; F31-F165 AromaticContact CZ-CD1 3.81Å; F31-F165 HydrophobicContact CZ-CD1 3.81Å; F31-F165 HydrophobicContact CZ-CD2 4.19Å; F31-F165 HydrophobicContact CZ-CE1 4.37Å; F31-F165 AromaticContact CZ-CG 3.69Å; F31-F165 HydrophobicContact CZ-CG 3.69Å; M53-F165 HydrophobicContact SD-CB 4.32Å; L62-F165 HydrophobicContact CD1-CD1 4Å; L64-F165 HydrophobicContact CD1-CE1 4.25Å; L64-F165 HydrophobicContact CD2-CE1 3.88Å; V161-F165 HydrophobicContact CG1-CD2 4.4Å; V161-F165 HydrophobicContact CG1-CE2 4.14Å; V161-F165 VanDerWaalsContact O-CD2 3.28Å; V161-F165 WeakPolarHBondContact O-CD2 3.25Å; V161-F165 PolarHBondContact O-N 3.01Å; Q163-F165 PolarHBondContact O-N 3.06Å; F165-A169 VanDerWaalsContact O-CB 3.3Å; F165-A169 WeakPolarHBondContact O-CB 3.19Å; F165-A169 PolarHBondContact O-N 2.97Å |
| 166 | R | 92.3 | Very high | 90.2 | Very high | 119 Ų | 119 | 56 Ų | 56 | 45% | 0.449 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.5 | -46 | 171.5 | -74.7 | 175.7 | -175.3 | 169.5 | 2.2 | 112.1 | K162 Q163 L164 V168 A169 A170 | K162-R166 WeakPolarHBondContact O-CG 3.45Å; K162-R166 PolarHBondContact O-N 3.25Å; K162-R166 VanDerWaalsContact O-N 3.08Å; Q163-R166 PolarHBondContact O-N 2.9Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 3.48Å; R166-V168 VanDerWaalsContact C-N 3.31Å; R166-V168 PolarHBondContact O-N 2.8Å; R166-A169 PolarHBondContact O-N 2.91Å; R166-A170 WeakPolarHBondContact O-CB 3.48Å; R166-A170 PolarHBondContact O-N 3.09Å |
| 167 | K | 94.8 | Very high | 87.8 | Confident | 79 Ų | 79 | 60 Ų | 60 | 34% | 0.343 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 175.2 | -75.4 | -167.6 | 177.8 | -166.4 | 0 | 111 | M120 F150 I151 Q163 L164 A170 A171 | M120-K167 HydrophobicContact CE-CB 3.66Å; M120-K167 HydrophobicContact CE-CD 4.03Å; F150-K167 PolarHBondContact O-NZ 3.22Å; I151-K167 HydrophobicContact CD1-CD 4.2Å; Q163-K167 PolarHBondContact O-N 3.44Å; L164-K167 PolarHBondContact O-N 3.38Å; K167-A170 WeakPolarHBondContact O-CB 3.5Å; K167-A170 PolarHBondContact O-N 3.12Å; K167-A171 PolarHBondContact O-N 2.96Å |
| 168 | V | 94.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.3 | -49.3 | 174.6 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | L14 V86 M120 L164 R166 A170 A171 L172 | L14-V168 HydrophobicContact CD2-CG1 3.96Å; L14-V168 HydrophobicContact CG-CG1 4.29Å; V86-V168 HydrophobicContact CB-CG1 4.3Å; V86-V168 HydrophobicContact CG1-CG1 3.8Å; V86-V168 HydrophobicContact CG1-CG2 4.2Å; V86-V168 HydrophobicContact CG2-CG1 3.73Å; M120-V168 HydrophobicContact CB-CG2 4.43Å; M120-V168 HydrophobicContact CE-CG2 4.3Å; L164-V168 HydrophobicContact CD1-CG2 4.36Å; L164-V168 WeakPolarHBondContact O-CG2 3.38Å; L164-V168 PolarHBondContact O-N 3.32Å; R166-V168 VanDerWaalsContact C-N 3.31Å; R166-V168 PolarHBondContact O-N 2.8Å; V168-A170 VanDerWaalsContact C-N 3.27Å; V168-A170 PolarHBondContact O-N 2.77Å; V168-A171 PolarHBondContact O-N 3.5Å; V168-A171 VanDerWaalsContact O-N 3.14Å; V168-L172 WeakPolarHBondContact O-CG 3.37Å; V168-L172 PolarHBondContact O-N 2.99Å |
| 169 | A | 90.9 | Very high | 82.6 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59 | -40.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M53 L55 F165 R166 A171 L172 M175 | M53-A169 HydrophobicContact CE-CB 4.13Å; L55-A169 HydrophobicContact CD1-CB 4.15Å; L55-A169 HydrophobicContact CD2-CB 3.89Å; F165-A169 VanDerWaalsContact O-CB 3.3Å; F165-A169 WeakPolarHBondContact O-CB 3.19Å; F165-A169 PolarHBondContact O-N 2.97Å; R166-A169 PolarHBondContact O-N 2.91Å; A169-A171 PolarHBondContact O-N 3.37Å; A169-L172 WeakPolarHBondContact O-CB 3.43Å; A169-L172 PolarHBondContact O-N 2.98Å; A169-L172 VanDerWaalsContact O-N 3.1Å; A169-M175 VanDerWaalsContact C-CE 3.41Å; A169-M175 HydrophobicContact CB-CE 4.26Å; A169-M175 WeakPolarHBondContact O-CE 3.45Å |
| 170 | A | 90 | Very high | 79.8 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 48% | 0.479 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.1 | -36.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R166 K167 V168 M175 | R166-A170 WeakPolarHBondContact O-CB 3.48Å; R166-A170 PolarHBondContact O-N 3.09Å; K167-A170 WeakPolarHBondContact O-CB 3.5Å; K167-A170 PolarHBondContact O-N 3.12Å; V168-A170 VanDerWaalsContact C-N 3.27Å; V168-A170 PolarHBondContact O-N 2.77Å; A170-M175 WeakPolarHBondContact CA-SD 3.5Å; A170-M175 HydrophobicContact CB-SD 4.42Å |
| 171 | A | 91.8 | Very high | 77.1 | Confident | 43 Ų | 43 | 73 Ų | 73 | 36% | 0.355 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -82.6 | -10.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I118 M149 K167 V168 A169 | I118-A171 HydrophobicContact CD1-CB 3.99Å; I118-A171 WeakPolarHBondContact CD1-O 3.48Å; I118-A171 HydrophobicContact CG2-CB 4.08Å; M149-A171 HydrophobicContact CE-CB 4.16Å; M149-A171 HydrophobicContact SD-CB 4.13Å; K167-A171 PolarHBondContact O-N 2.96Å; V168-A171 PolarHBondContact O-N 3.5Å; V168-A171 VanDerWaalsContact O-N 3.14Å; A169-A171 PolarHBondContact O-N 3.37Å |
| 172 | L | 90.2 | Very high | 74.3 | Confident | 2 Ų | 2 | 77.8 Ų | 77.8 | 1% | 0.01 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -72.3 | 134.5 | -175.3 | -70.1 | 173.5 | 0 | 0 | 0 | 111.9 | F12 R58 L62 T85 V86 I118 V168 A169 | F12-L172 HydrophobicContact CB-CD1 4.03Å; F12-L172 HydrophobicContact CB-CD2 4.12Å; F12-L172 HydrophobicContact CD1-CB 4.49Å; F12-L172 HydrophobicContact CD1-CD1 4.18Å; F12-L172 HydrophobicContact CD1-CD2 3.64Å; F12-L172 HydrophobicContact CD1-CG 4.32Å; F12-L172 HydrophobicContact CD2-CD1 3.65Å; F12-L172 HydrophobicContact CE1-CB 4.18Å; F12-L172 HydrophobicContact CE1-CD2 4.11Å; F12-L172 HydrophobicContact CE2-CB 4.48Å; F12-L172 HydrophobicContact CE2-CD1 4.05Å; F12-L172 HydrophobicContact CG-CD1 3.69Å; F12-L172 HydrophobicContact CG-CD2 3.89Å; F12-L172 HydrophobicContact CG-CG 4.31Å; F12-L172 HydrophobicContact CZ-CB 4.16Å; F12-L172 HydrophobicContact CZ-CD1 4.45Å; R58-L172 PolarHBondContact NH2-O 3.14Å; L62-L172 HydrophobicContact CD2-CD1 4.21Å; T85-L172 HydrophobicContact CG2-CD2 4.09Å; V86-L172 HydrophobicContact CG2-CD2 3.66Å; I118-L172 HydrophobicContact CD1-CD2 4.16Å; V168-L172 WeakPolarHBondContact O-CG 3.37Å; V168-L172 PolarHBondContact O-N 2.99Å; A169-L172 WeakPolarHBondContact O-CB 3.43Å; A169-L172 PolarHBondContact O-N 2.98Å; A169-L172 VanDerWaalsContact O-N 3.1Å |
| 173 | P | 79.9 | Confident | 71.7 | Confident | 69 Ų | 69 | 77.7 Ų | 77.7 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -48.9 | 142.2 | -175.6 | -29.2 | 32.9 | 0 | 0 | 0 | 115.4 | R10 R58 | R10-P173 PolarHBondContact NH1-O 2.92Å; R10-P173 PolarHBondContact NH2-O 3.33Å; R58-P173 PolarHBondContact NH1-O 3.4Å |
| 174 | G | 75.7 | Confident | 69 | Low | 35 Ų | 35 | 79.9 Ų | 79.9 | 36% | 0.361 | 45% | 0.449 | S | S | . | . | S | Bend | trans | 77.2 | 29.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R58 | R58-G174 PolarHBondContact NH1-O 3.12Š|
| 175 | M | 61.7 | Low | 66.2 | Low | 46 Ų | 46 | 87.9 Ų | 87.9 | 23% | 0.227 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -86.9 | -29.5 | 164 | -86.4 | -136.1 | 172.4 | 0 | 0 | 112.6 | L55 A169 A170 E177 | L55-M175 HydrophobicContact CD1-CE 3.6Å; L55-M175 HydrophobicContact CD2-CE 4.41Å; L55-M175 HydrophobicContact CG-CE 4.46Å; A169-M175 VanDerWaalsContact C-CE 3.41Å; A169-M175 HydrophobicContact CB-CE 4.26Å; A169-M175 WeakPolarHBondContact O-CE 3.45Å; A170-M175 WeakPolarHBondContact CA-SD 3.5Å; A170-M175 HydrophobicContact CB-SD 4.42Å; M175-E177 VanDerWaalsContact C-N 3.3Å; M175-E177 PolarHBondContact O-N 2.89Å |
| 176 | D | 57.2 | Low | 63.4 | Low | 160 Ų | 160 | 91.3 Ų | 91.3 | 86% | 0.856 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -8.8 | -174.8 | -58.3 | -46.2 | 0 | 0 | 0 | 114.1 | A178 | D176-A178 PolarHBondContact O-N 3.48Š|
| 177 | E | 49.7 | Very low | 60.6 | Low | 184 Ų | 184 | 92.4 Ų | 92.4 | 86% | 0.86 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -0.9 | -178.7 | -69.1 | -172.3 | 169.4 | 0 | 0 | 114 | M175 | M175-E177 VanDerWaalsContact C-N 3.3Å; M175-E177 PolarHBondContact O-N 2.89Å |
| 178 | A | 42.9 | Very low | 57.7 | Low | 49 Ų | 49 | 91.8 Ų | 91.8 | 41% | 0.405 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -110.3 | 131.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D176 S180 | D176-A178 PolarHBondContact O-N 3.48Å; A178-S180 PolarHBondContact O-N 2.98Å; A178-S180 VanDerWaalsContact O-N 3.15Å |
| 179 | P | 42 | Very low | 55.3 | Low | 125 Ų | 125 | 95.4 Ų | 95.4 | 81% | 0.812 | 56% | 0.561 | S | S | * | * | trans | -60.9 | 123.2 | -175 | 23 | -30.9 | 0 | 0 | 0 | 110.3 | R181 | P179-R181 PolarHBondContact O-N 2.83Š| ||
| 180 | S | 40.7 | Very low | 52.9 | Low | 123 Ų | 123 | 103.4 Ų | 103.4 | 86% | 0.86 | 59% | 0.592 | S | S | * | * | trans | -45.6 | 99.4 | 176.5 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | A178 | A178-S180 PolarHBondContact O-N 2.98Å; A178-S180 VanDerWaalsContact O-N 3.15Å | ||
| 181 | R | 40.3 | Very low | 50.6 | Low | 218 Ų | 218 | 103.7 Ų | 103.7 | 82% | 0.823 | 59% | 0.588 | S | S | * | * | trans | -87.4 | 133 | 158.9 | -100.9 | -178.9 | 176 | 167 | 0.1 | 107.7 | P179 | P179-R181 PolarHBondContact O-N 2.83Š| ||
| 182 | P | 40 | Very low | 48.2 | Very low | 104 Ų | 104 | 104.9 Ų | 104.9 | 68% | 0.675 | 59% | 0.591 | S | S | * | * | trans | -61.5 | 150.7 | 179 | 25.2 | -31.7 | 0 | 0 | 0 | 110 | Q184 | P182-Q184 PolarHBondContact O-N 2.92Š| ||
| 183 | P | 41.6 | Very low | 46.2 | Very low | 128 Ų | 128 | 112.9 Ų | 112.9 | 83% | 0.831 | 62% | 0.62 | S | S | * | * | trans | -60 | 111.1 | -171.3 | -11.8 | 23 | 0 | 0 | 0 | 109.6 | D185 | P183-D185 PolarHBondContact O-N 2.89Š| ||
| 184 | Q | 40 | Very low | 44.3 | Very low | 132 Ų | 132 | 113 Ų | 113 | 62% | 0.617 | 62% | 0.616 | S | S | * | * | trans | -79.7 | 117.9 | 168 | -80.1 | -174 | -4.5 | 0 | 0 | 108.1 | P182 G186 | P182-Q184 PolarHBondContact O-N 2.92Å; Q184-G186 PolarHBondContact O-N 3.28Å | ||
| 185 | D | 37.9 | Very low | 42.6 | Very low | 168 Ų | 168 | 116.4 Ų | 116.4 | 90% | 0.898 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -39.7 | 130.4 | 177.7 | -136.7 | -8.1 | 0 | 0 | 0 | 113.1 | P183 | P183-D185 PolarHBondContact O-N 2.89Š|
| 186 | G | 37 | Very low | 41.5 | Very low | 73 Ų | 73 | 118.5 Ų | 118.5 | 75% | 0.753 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.2 | 7.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | Q184 A188 | Q184-G186 PolarHBondContact O-N 3.28Å; G186-A188 PolarHBondContact O-N 2.57Å; G186-A188 VanDerWaalsContact O-N 3.12Å |
| 187 | K | 34.8 | Very low | 40.6 | Very low | 142 Ų | 142 | 119.2 Ų | 119.2 | 62% | 0.617 | 65% | 0.649 | S | S | * | * | trans | -77.4 | 105.5 | 178.4 | -69.8 | -174.3 | -177.7 | 171.3 | 0 | 112.5 | F189 | K187-F189 PolarHBondContact O-N 3.07Š| ||
| 188 | A | 33.8 | Very low | 39.9 | Very low | 66 Ų | 66 | 118.3 Ų | 118.3 | 55% | 0.545 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 120.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G186 Y190 | G186-A188 PolarHBondContact O-N 2.57Å; G186-A188 VanDerWaalsContact O-N 3.12Å; A188-Y190 VanDerWaalsContact O-CE2 3.31Å; A188-Y190 WeakPolarHBondContact O-CE2 3.38Å |
| 189 | F | 42.4 | Very low | 39.6 | Very low | 78 Ų | 78 | 122.8 Ų | 122.8 | 34% | 0.342 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -75.3 | 128.9 | 172.4 | -61.3 | -81.4 | 0 | 0 | 0 | 110.4 | Y54 E56 K187 | Y54-F189 WeakPolarHBondContact O-CD1 3.1Å; E56-F189 HydrophobicContact CG-CE1 4.12Å; E56-F189 HydrophobicContact CG-CZ 4.31Å; K187-F189 PolarHBondContact O-N 3.07Å |
| 190 | Y | 41.8 | Very low | 39.3 | Very low | 169 Ų | 169 | 120.3 Ų | 120.3 | 66% | 0.663 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 147.4 | 174.8 | -60.3 | -84 | 0 | 0 | 0 | 109.8 | Y54 A188 | Y54-Y190 WeakPolarHBondContact CD2-O 3.23Å; A188-Y190 VanDerWaalsContact O-CE2 3.31Å; A188-Y190 WeakPolarHBondContact O-CE2 3.38Å |
| 191 | V | 42 | Very low | 39 | Very low | 63 Ų | 63 | 123.4 Ų | 123.4 | 38% | 0.382 | 66% | 0.662 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.9 | 168.5 | 168.4 | 0 | 0 | 0 | 0 | 106.5 | K51 | K51-V191 HydrophobicContact CD-CG1 3.57Å; K51-V191 HydrophobicContact CG-CG1 3.63Å |
| 192 | V | 41.5 | Very low | 38.9 | Very low | 69 Ų | 69 | 117.8 Ų | 117.8 | 42% | 0.418 | 66% | 0.662 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.3 | 168.4 | -175.9 | 0 | 0 | 0 | 0 | 110 | T52 Y54 | T52-V192 PolarHBondContact N-O 3.13Å; Y54-V192 HydrophobicContact CE2-CB 3.86Å; Y54-V192 HydrophobicContact CE2-CG2 3.64Å |
| 193 | R | 47.6 | Very low | 38.7 | Very low | 169 Ų | 169 | 117.5 Ų | 117.5 | 64% | 0.638 | 67% | 0.668 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.1 | 138.6 | -174.6 | -62.2 | 175.8 | 178.7 | 151.5 | -0.5 | 110.1 | ||
| 194 | I | 40.1 | Very low | 38.5 | Very low | 71 Ų | 71 | 115.9 Ų | 115.9 | 36% | 0.364 | 67% | 0.666 | S | S | . | * | trans | -133.3 | 108.1 | 165.3 | -59.5 | 172.7 | 0 | 0 | 0 | 106.7 | ||||
| 195 | S | 38.8 | Very low | 38.3 | Very low | 107 Ų | 107 | 113.3 Ų | 113.3 | 75% | 0.748 | 68% | 0.675 | S | S | * | * | trans | -80.5 | 126.8 | 171.2 | 48.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 196 | T | 38.5 | Very low | 38.2 | Very low | 91 Ų | 91 | 114.5 Ų | 114.5 | 56% | 0.558 | 68% | 0.675 | S | S | * | * | trans | -94.4 | 100.7 | 163 | 42.2 | 0 | 0 | 0 | 0 | 107.3 | N198 | T196-N198 PolarHBondContact O-N 3.37Å; T196-N198 VanDerWaalsContact O-N 3.16Å | ||
| 197 | Q | 38.6 | Very low | 38 | Very low | 175 Ų | 175 | 120.4 Ų | 120.4 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | trans | -65.3 | 111.4 | 164.4 | -75.5 | -178.1 | -15.9 | 0 | 0 | 107.5 | N199 | Q197-N199 PolarHBondContact O-N 3.19Å; Q197-N199 VanDerWaalsContact O-N 3.09Å | ||
| 198 | N | 36.7 | Very low | 37.9 | Very low | 164 Ų | 164 | 117.8 Ų | 117.8 | 88% | 0.877 | 70% | 0.696 | S | S | * | * | trans | -67.6 | 104.8 | 170 | -116 | -2.8 | 0 | 0 | 0 | 107.5 | T196 G200 | T196-N198 PolarHBondContact O-N 3.37Å; T196-N198 VanDerWaalsContact O-N 3.16Å; N198-G200 PolarHBondContact O-N 3.35Å | ||
| 199 | N | 36 | Very low | 38 | Very low | 143 Ų | 143 | 118.4 Ų | 118.4 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | trans | -76.6 | 76 | 176.4 | -126.6 | -0.1 | 0 | 0 | 0 | 108.7 | Q197 K201 | Q197-N199 PolarHBondContact O-N 3.19Å; Q197-N199 VanDerWaalsContact O-N 3.09Å; N199-K201 VanDerWaalsContact C-N 3.3Å; N199-K201 PolarHBondContact O-N 3.27Å | ||
| 200 | G | 34.6 | Very low | 37.3 | Very low | 73 Ų | 73 | 120.6 Ų | 120.6 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | trans | -69 | 86.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | N198 A202 | N198-G200 PolarHBondContact O-N 3.35Å; G200-A202 PolarHBondContact O-N 2.91Å | ||
| 201 | K | 36 | Very low | 37.3 | Very low | 189 Ų | 189 | 124.7 Ų | 124.7 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | -68.8 | 96 | 165.3 | -74.3 | -174.7 | 175.5 | -177.2 | 0 | 108.2 | N199 A203 | N199-K201 VanDerWaalsContact C-N 3.3Å; N199-K201 PolarHBondContact O-N 3.27Å; K201-A203 PolarHBondContact O-N 3.18Å | ||
| 202 | A | 36.5 | Very low | 38 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -69 | 95.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | G200 A204 | G200-A202 PolarHBondContact O-N 2.91Å; A202-A204 PolarHBondContact O-N 3.38Å; A202-A204 VanDerWaalsContact O-N 3.14Å | ||
| 203 | A | 37 | Very low | 37.8 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -74.4 | 92.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | K201 G205 | K201-A203 PolarHBondContact O-N 3.18Å; A203-G205 PolarHBondContact O-N 3.3Å; A203-G205 VanDerWaalsContact O-N 3.16Å | ||
| 204 | A | 37.7 | Very low | 37.3 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | trans | -75.8 | 93.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | A202 Q206 | A202-A204 PolarHBondContact O-N 3.38Å; A202-A204 VanDerWaalsContact O-N 3.14Å; A204-Q206 PolarHBondContact O-N 2.82Å | ||
| 205 | G | 35.6 | Very low | 37.2 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 80% | 0.804 | 85% | 0.847 | S | S | * | * | trans | -71.8 | 103.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | A203 E207 | A203-G205 PolarHBondContact O-N 3.3Å; A203-G205 VanDerWaalsContact O-N 3.16Å; G205-E207 PolarHBondContact O-N 2.89Å | ||
| 206 | Q | 35.8 | Very low | 37.1 | Very low | 193 Ų | 193 | 137.6 Ų | 137.6 | 90% | 0.902 | 85% | 0.852 | S | S | * | * | trans | -85.6 | 94.8 | 164.5 | -83.9 | 177.9 | -12.8 | 0 | 0 | 108.1 | A204 | A204-Q206 PolarHBondContact O-N 2.82Š| ||
| 207 | E | 33 | Very low | 37 | Very low | 198 Ų | 198 | 140.6 Ų | 140.6 | 93% | 0.925 | 87% | 0.871 | S | S | * | * | trans | -113.5 | 109.3 | 160.3 | -78.2 | -172.1 | 163.9 | 0 | 0 | 107.5 | G205 | G205-E207 PolarHBondContact O-N 2.89Š| ||
| 208 | G | 32.7 | Very low | 36.9 | Very low | 86 Ų | 86 | 138.3 Ų | 138.3 | 89% | 0.887 | 87% | 0.874 | S | S | * | * | trans | 170.5 | 87.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 209 | G | 34.8 | Very low | 36.9 | Very low | 79 Ų | 79 | 136.4 Ų | 136.4 | 81% | 0.814 | 87% | 0.874 | S | S | * | * | trans | -173.4 | 66.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 210 | C | 29.3 | Very low | 37 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 84% | 0.838 | 88% | 0.883 | S | S | * | * | trans | -89.6 | 114.4 | 163.6 | -169.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 211 | W | 41.3 | Very low | 37.2 | Very low | 255 Ų | 255 | 141.2 Ų | 141.2 | 97% | 0.966 | 89% | 0.893 | S | S | * | * | trans | -133.5 | 134.9 | 161.9 | -95.1 | -2.9 | 0 | 0 | 0 | 109.2 | ||||
| 212 | C | 56.5 | Low | 37.3 | Very low | 201 Ų | 201 | 136.8 Ų | 136.8 | 100% | 1.358 | 90% | 0.9 | S | S | * | * | trans | -55.8 | 0 | 179.4 | -56.7 | 0 | 0 | 0 | 0 | 113.1 |
Retrieved 212 of 212 residues in 47.4 ms
(Link to these results)