| 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 | 59 | Low | 88.9 | Confident | 236 Ų | 236 | 97.2 Ų | 97.2 | 100% | 1.163 | 51% | 0.507 | S | S | * | . | 0 | 123.9 | 0 | -162.4 | 178.6 | -72.4 | 0 | 0 | 106.7 | |||||
| 2 | E | 76.4 | Confident | 89.6 | Confident | 191 Ų | 191 | 91.4 Ų | 91.4 | 89% | 0.893 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 137.1 | 179.6 | -69.6 | -175.2 | 161.4 | 0 | 0 | 110.3 | ||
| 3 | L | 82 | Confident | 90.2 | Very high | 65 Ų | 65 | 94.3 Ų | 94.3 | 34% | 0.34 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 145.8 | 175.8 | -66.7 | 177.5 | 0 | 0 | 0 | 110 | R144 M243 | L3-R144 PolarHBondContact O-NH2 3.09Å; L3-R144 VanDerWaalsContact O-NH2 3.12Å; L3-M243 HydrophobicContact CB-SD 4.47Å; L3-M243 HydrophobicContact CD1-SD 4.43Å; L3-M243 HydrophobicContact CD2-SD 3.84Å; L3-M243 HydrophobicContact CG-SD 4.47Å |
| 4 | P | 86.2 | Confident | 90.6 | Very high | 44 Ų | 44 | 91.4 Ų | 91.4 | 29% | 0.286 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 157.2 | -179.5 | 26.1 | -34.8 | 0 | 0 | 0 | 111.8 | R144 M243 | P4-R144 PolarHBondContact O-NH2 3.37Å; P4-M243 HydrophobicContact CG-CE 4.04Å; P4-M243 HydrophobicContact CG-SD 4.33Å |
| 5 | P | 91.5 | Very high | 91.1 | Very high | 102 Ų | 102 | 85.9 Ų | 85.9 | 66% | 0.662 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 153.5 | 172 | 27.4 | -34.5 | 0 | 0 | 0 | 110.4 | ||
| 6 | R | 95.3 | Very high | 91.6 | Very high | 55 Ų | 55 | 81.7 Ų | 81.7 | 21% | 0.208 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 141.2 | 174.3 | -70.7 | -175.6 | 177.6 | -87.7 | 4.8 | 109.9 | G140 R141 N143 L146 E148 | R6-G140 PolarHBondContact NH1-O 2.97Å; R6-G140 PolarHBondContact NH2-O 3.4Å; R6-G140 VanDerWaalsContact NH2-O 3.15Å; R6-R141 PolarHBondContact NH2-O 3.35Å; R6-N143 PolarHBondContact NH1-O 3.04Å; R6-L146 PolarHBondContact NH1-O 2.67Å; R6-E148 WeakPolarHBondContact CD-OE2 3.34Å; R6-E148 IonicContact CZ-OE2 3.56Å; R6-E148 IonicContact NE-OE2 2.71Å; R6-E148 PolarHBondContact NE-OE2 3.37Å; R6-E148 IonicContact NH2-OE2 3.83Å |
| 7 | P | 96.4 | Very high | 92 | Very high | 9 Ų | 9 | 76.9 Ų | 76.9 | 6% | 0.058 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 155.4 | -179.4 | 32.7 | -35.6 | 0 | 0 | 0 | 111.4 | T18 K19 Y20 R144 V145 P147 | P7-T18 HydrophobicContact CB-CG2 4.3Å; P7-T18 HydrophobicContact CG-CG2 4.01Å; P7-K19 HydrophobicContact CB-CG 4.37Å; P7-Y20 HydrophobicContact CB-CD2 4.25Å; P7-Y20 HydrophobicContact CB-CE2 4.07Å; P7-Y20 HydrophobicContact CG-CD2 3.81Å; P7-Y20 HydrophobicContact CG-CE2 3.74Å; P7-R144 WeakPolarHBondContact CD-O 3.2Å; P7-V145 WeakPolarHBondContact CG-O 3.33Å; P7-P147 WeakPolarHBondContact O-CA 3.28Å; P7-P147 WeakPolarHBondContact O-CB 3.44Å; P7-P147 WeakPolarHBondContact O-CG 3.34Å |
| 8 | T | 96.8 | Very high | 92.3 | Very high | 121 Ų | 121 | 72.6 Ų | 72.6 | 74% | 0.742 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -87 | 144 | 173 | -47.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 9 | L | 97.6 | Very high | 92.5 | Very high | 49 Ų | 49 | 73.7 Ų | 73.7 | 26% | 0.257 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 140.6 | 172.8 | -162.7 | 74.7 | 0 | 0 | 0 | 110 | M17 T18 P147 K163 V165 | L9-M17 WeakPolarHBondContact CA-O 3.46Å; L9-M17 WeakPolarHBondContact CD1-O 3.28Å; L9-T18 HydrophobicContact CD1-CG2 4.3Å; L9-P147 HydrophobicContact CB-CG 4.2Å; L9-P147 HydrophobicContact CD1-CG 4.3Å; L9-K163 WeakPolarHBondContact CD2-O 3.13Å; L9-V165 HydrophobicContact CD1-CG2 3.84Å |
| 10 | F | 98.1 | Very high | 92.7 | Very high | 88 Ų | 88 | 70.3 Ų | 70.3 | 39% | 0.386 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 162.2 | 171.6 | 65.9 | -88.6 | 0 | 0 | 0 | 111.1 | F12 M17 T22 | F10-F12 HydrophobicContact CD2-CB 4.41Å; F10-F12 HydrophobicContact CE2-CB 3.96Å; F10-F12 HydrophobicContact CE2-CD2 4.02Å; F10-F12 HydrophobicContact CE2-CG 4.43Å; F10-F12 PolarHBondContact O-N 3.05Å; F10-M17 PolarHBondContact N-O 2.87Å; F10-M17 PolarHBondContact O-N 3.36Å; F10-T22 HydrophobicContact CZ-CG2 4.24Å; F10-T22 WeakPolarHBondContact CZ-OG1 3.45Å |
| 11 | D | 98.2 | Very high | 92.9 | Very high | 109 Ų | 109 | 67.2 Ų | 67.2 | 58% | 0.583 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 120.3 | 174.4 | -173.5 | -88.8 | 0 | 0 | 0 | 110.4 | G14 | D11-G14 PolarHBondContact OD1-N 2.85Å; D11-G14 WeakPolarHBondContact OD2-CA 3.5Å; D11-G14 PolarHBondContact OD2-N 3.19Å |
| 12 | F | 98.1 | Very high | 94.7 | Very high | 28 Ų | 28 | 56.6 Ų | 56.6 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 95.2 | 173.9 | -174 | -105.2 | 0 | 0 | 0 | 108.6 | F10 G14 V15 M17 T22 W25 F110 | F10-F12 HydrophobicContact CD2-CB 4.41Å; F10-F12 HydrophobicContact CE2-CB 3.96Å; F10-F12 HydrophobicContact CE2-CD2 4.02Å; F10-F12 HydrophobicContact CE2-CG 4.43Å; F10-F12 PolarHBondContact O-N 3.05Å; F12-G14 VanDerWaalsContact C-N 3.33Å; F12-G14 PolarHBondContact O-N 2.84Å; F12-V15 PolarHBondContact N-O 3.2Å; F12-V15 PolarHBondContact O-N 3.4Å; F12-V15 VanDerWaalsContact O-N 3.11Å; F12-M17 HydrophobicContact CB-CB 3.77Å; F12-M17 HydrophobicContact CB-CG 3.86Å; F12-M17 HydrophobicContact CD1-CG 4.3Å; F12-M17 HydrophobicContact CG-CB 4.5Å; F12-M17 HydrophobicContact CG-CG 4.45Å; F12-T22 HydrophobicContact CB-CG2 4.24Å; F12-T22 HydrophobicContact CD1-CG2 3.74Å; F12-T22 HydrophobicContact CD2-CG2 3.78Å; F12-T22 HydrophobicContact CE1-CG2 3.96Å; F12-T22 HydrophobicContact CE2-CG2 4.01Å; F12-T22 HydrophobicContact CG-CG2 3.64Å; F12-T22 HydrophobicContact CZ-CG2 4.09Å; F12-W25 AromaticContact CE1-CD2 3.76Å; F12-W25 HydrophobicContact CE1-CD2 3.76Å; F12-W25 AromaticContact CE1-CE2 3.68Å; F12-W25 AromaticContact CE1-CE3 3.96Å; F12-W25 HydrophobicContact CE1-CE3 3.96Å; F12-W25 HydrophobicContact CE1-CG 4.34Å; F12-W25 HydrophobicContact CE1-CH2 4.05Å; F12-W25 AromaticContact CE1-CZ2 3.83Å; F12-W25 HydrophobicContact CE1-CZ2 3.83Å; F12-W25 HydrophobicContact CE1-CZ3 4.12Å; F12-W25 HydrophobicContact CZ-CB 4.36Å; F12-W25 AromaticContact CZ-CD1 3.81Å; F12-W25 AromaticContact CZ-CD2 3.59Å; F12-W25 HydrophobicContact CZ-CD2 3.59Å; F12-W25 AromaticContact CZ-CE2 3.67Å; F12-W25 HydrophobicContact CZ-CE3 4.16Å; F12-W25 AromaticContact CZ-CG 3.68Å; F12-W25 HydrophobicContact CZ-CG 3.68Å; F12-W25 HydrophobicContact CZ-CZ2 4.28Å; F12-W25 AromaticContact CZ-NE1 3.76Å; F12-F110 AromaticContact CD1-CE2 3.99Å; F12-F110 HydrophobicContact CD1-CE2 3.99Å; F12-F110 HydrophobicContact CD1-CZ 4.08Å; F12-F110 HydrophobicContact CE1-CE2 4.45Å; F12-F110 HydrophobicContact CE1-CZ 4.46Å; F12-F110 WeakPolarHBondContact O-CZ 3.41Å |
| 13 | H | 96.5 | Very high | 95.6 | Very high | 129 Ų | 129 | 52.8 Ų | 52.8 | 60% | 0.597 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 47.2 | -177.6 | -52.5 | -69.3 | 0 | 0 | 0 | 112.9 | V15 F110 | H13-V15 VanDerWaalsContact C-N 3.31Å; H13-V15 PolarHBondContact O-N 3.26Å; H13-F110 HydrophobicContact CB-CE1 4.02Å; H13-F110 HydrophobicContact CB-CZ 3.9Å |
| 14 | G | 96.8 | Very high | 96.3 | Very high | 54 Ų | 54 | 50.4 Ų | 50.4 | 56% | 0.557 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 1.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D11 F12 | D11-G14 PolarHBondContact OD1-N 2.85Å; D11-G14 WeakPolarHBondContact OD2-CA 3.5Å; D11-G14 PolarHBondContact OD2-N 3.19Å; F12-G14 VanDerWaalsContact C-N 3.33Å; F12-G14 PolarHBondContact O-N 2.84Å |
| 15 | V | 98.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 49.8 Ų | 49.8 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.1 | 178.8 | -177 | 0 | 0 | 0 | 0 | 109.6 | F12 H13 M17 P107 F110 | F12-V15 PolarHBondContact N-O 3.2Å; F12-V15 PolarHBondContact O-N 3.4Å; F12-V15 VanDerWaalsContact O-N 3.11Å; H13-V15 VanDerWaalsContact C-N 3.31Å; H13-V15 PolarHBondContact O-N 3.26Å; V15-M17 HydrophobicContact CB-CG 4.39Å; V15-M17 HydrophobicContact CG1-CG 4.05Å; V15-M17 HydrophobicContact CG1-SD 4.21Å; V15-M17 PolarHBondContact O-N 3.5Å; V15-P107 HydrophobicContact CG1-CG 4.2Å; V15-P107 HydrophobicContact CG2-CG 4.25Å; V15-F110 HydrophobicContact CB-CE2 3.65Å; V15-F110 HydrophobicContact CB-CZ 4.04Å; V15-F110 HydrophobicContact CG1-CE2 4.16Å; V15-F110 HydrophobicContact CG2-CD2 4.47Å; V15-F110 HydrophobicContact CG2-CE2 3.52Å; V15-F110 HydrophobicContact CG2-CZ 3.65Å |
| 16 | S | 98.1 | Very high | 97 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 115.5 | 174.8 | -80.1 | 0 | 0 | 0 | 0 | 111 | G162 V164 V165 F166 | S16-G162 WeakPolarHBondContact CB-O 3.48Å; S16-G162 PolarHBondContact OG-O 3.14Å; S16-V164 WeakPolarHBondContact CB-O 3.21Å; S16-V165 CarbonylContact O-C 3.56Å; S16-V165 WeakPolarHBondContact O-CA 3.19Å; S16-F166 PolarHBondContact O-N 3.39Å |
| 17 | M | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 174 | -173.9 | -69.8 | -67.8 | -88.7 | 0 | 0 | 111.9 | L9 F10 F12 V15 F21 T22 L106 V165 F166 | L9-M17 WeakPolarHBondContact CA-O 3.46Å; L9-M17 WeakPolarHBondContact CD1-O 3.28Å; F10-M17 PolarHBondContact N-O 2.87Å; F10-M17 PolarHBondContact O-N 3.36Å; F12-M17 HydrophobicContact CB-CB 3.77Å; F12-M17 HydrophobicContact CB-CG 3.86Å; F12-M17 HydrophobicContact CD1-CG 4.3Å; F12-M17 HydrophobicContact CG-CB 4.5Å; F12-M17 HydrophobicContact CG-CG 4.45Å; V15-M17 HydrophobicContact CB-CG 4.39Å; V15-M17 HydrophobicContact CG1-CG 4.05Å; V15-M17 HydrophobicContact CG1-SD 4.21Å; V15-M17 PolarHBondContact O-N 3.5Å; M17-F21 HydrophobicContact CE-CB 3.52Å; M17-F21 HydrophobicContact CE-CG 4.46Å; M17-T22 HydrophobicContact CB-CG2 3.85Å; M17-T22 HydrophobicContact CE-CG2 4.16Å; M17-T22 HydrophobicContact CG-CG2 4.34Å; M17-L106 HydrophobicContact CE-CD2 4.18Å; M17-V165 HydrophobicContact SD-CG1 4.39Å; M17-F166 HydrophobicContact CE-CD1 4.15Å; M17-F166 HydrophobicContact CE-CE1 3.92Å; M17-F166 HydrophobicContact SD-CD1 3.8Å; M17-F166 HydrophobicContact SD-CE1 4.1Å; M17-F166 HydrophobicContact SD-CG 4.36Å |
| 18 | T | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -127.6 | 165.4 | 170.6 | 75 | 0 | 0 | 0 | 0 | 110.9 | P7 L9 Y20 F21 T22 P147 V165 | P7-T18 HydrophobicContact CB-CG2 4.3Å; P7-T18 HydrophobicContact CG-CG2 4.01Å; L9-T18 HydrophobicContact CD1-CG2 4.3Å; T18-Y20 PolarHBondContact O-N 3.37Å; T18-F21 PolarHBondContact O-N 2.97Å; T18-F21 VanDerWaalsContact OG1-CD2 3.24Å; T18-F21 WeakPolarHBondContact OG1-CD2 3.36Å; T18-T22 PolarHBondContact O-N 3.03Å; T18-T22 PolarHBondContact O-OG1 3.47Å; T18-P147 HydrophobicContact CG2-CG 3.92Å; T18-V165 HydrophobicContact CG2-CG2 3.64Å | ||
| 19 | K | 96.5 | Very high | 97.1 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 40% | 0.404 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -55.2 | -34.9 | 179.8 | 72.3 | 176 | -177.2 | 175.5 | 0 | 113.2 | P7 F21 T22 D23 | P7-K19 HydrophobicContact CB-CG 4.37Å; K19-F21 PolarHBondContact O-N 3.23Å; K19-T22 WeakPolarHBondContact CA-OG1 3.38Å; K19-T22 PolarHBondContact O-N 3.05Å; K19-T22 VanDerWaalsContact O-N 3.09Å; K19-D23 WeakPolarHBondContact CB-OD1 2.97Å; K19-D23 WeakPolarHBondContact CB-OD2 3.5Å; K19-D23 WeakPolarHBondContact O-CB 3.29Å; K19-D23 PolarHBondContact O-N 2.91Å |
| 20 | Y | 96.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 2% | 0.02 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -66.9 | -10.6 | 179.6 | -61 | -40.7 | 0 | 0 | 0 | 114.4 | P7 T18 S81 E82 P83 V145 | P7-Y20 HydrophobicContact CB-CD2 4.25Å; P7-Y20 HydrophobicContact CB-CE2 4.07Å; P7-Y20 HydrophobicContact CG-CD2 3.81Å; P7-Y20 HydrophobicContact CG-CE2 3.74Å; T18-Y20 PolarHBondContact O-N 3.37Å; Y20-S81 PolarHBondContact O-N 2.8Å; Y20-E82 HydrophobicContact CD1-CB 4.08Å; Y20-E82 HydrophobicContact CE1-CB 4.5Å; Y20-E82 HydrophobicContact CG-CB 4.21Å; Y20-P83 HydrophobicContact CE1-CG 4.31Å; Y20-V145 HydrophobicContact CD2-CB 4.26Å; Y20-V145 HydrophobicContact CD2-CG1 3.69Å; Y20-V145 HydrophobicContact CG-CG1 4.25Å |
| 21 | F | 97.3 | Very high | 97.1 | Very high | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -115 | -2.1 | 176.5 | -54.9 | -68.8 | 0 | 0 | 0 | 113.3 | M17 T18 K19 F77 E79 I80 V145 L146 V165 F166 | M17-F21 HydrophobicContact CE-CB 3.52Å; M17-F21 HydrophobicContact CE-CG 4.46Å; T18-F21 PolarHBondContact O-N 2.97Å; T18-F21 VanDerWaalsContact OG1-CD2 3.24Å; T18-F21 WeakPolarHBondContact OG1-CD2 3.36Å; K19-F21 PolarHBondContact O-N 3.23Å; F21-F77 HydrophobicContact CD1-CE1 4.47Å; F21-F77 HydrophobicContact CD1-CZ 4.4Å; F21-F77 AromaticContact CE1-CE1 3.65Å; F21-F77 HydrophobicContact CE1-CE1 3.65Å; F21-F77 AromaticContact CE1-CZ 3.89Å; F21-F77 HydrophobicContact CE1-CZ 3.89Å; F21-F77 HydrophobicContact CZ-CE1 4.48Å; F21-E79 WeakPolarHBondContact CA-O 3.31Å; F21-E79 HydrophobicContact CD1-CG 3.93Å; F21-I80 HydrophobicContact CD1-CD1 4.1Å; F21-I80 HydrophobicContact CE1-CD1 3.41Å; F21-I80 VanDerWaalsContact CE1-CD1 3.41Å; F21-I80 HydrophobicContact CZ-CD1 3.98Å; F21-V145 HydrophobicContact CE1-CG1 4.47Å; F21-V145 HydrophobicContact CE2-CG1 4.04Å; F21-V145 HydrophobicContact CZ-CG1 3.65Å; F21-L146 HydrophobicContact CE2-CD2 4.48Å; F21-V165 HydrophobicContact CD2-CG1 3.6Å; F21-V165 HydrophobicContact CE2-CG1 3.57Å; F21-F166 AromaticContact CD1-CZ 3.77Å; F21-F166 HydrophobicContact CD1-CZ 3.77Å; F21-F166 HydrophobicContact CD2-CZ 4.36Å; F21-F166 HydrophobicContact CE1-CE2 4.28Å; F21-F166 AromaticContact CE1-CZ 3.91Å; F21-F166 HydrophobicContact CE1-CZ 3.91Å; F21-F166 HydrophobicContact CE2-CE2 4.44Å; F21-F166 AromaticContact CG-CZ 3.99Å; F21-F166 HydrophobicContact CG-CZ 3.99Å; F21-F166 HydrophobicContact CZ-CE2 4.25Å; F21-F166 HydrophobicContact CZ-CZ 4.3Å |
| 22 | T | 97 | Very high | 97.1 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 8% | 0.08 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.4 | -23.7 | -170 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | F10 F12 M17 T18 K19 N24 W25 | F10-T22 HydrophobicContact CZ-CG2 4.24Å; F10-T22 WeakPolarHBondContact CZ-OG1 3.45Å; F12-T22 HydrophobicContact CB-CG2 4.24Å; F12-T22 HydrophobicContact CD1-CG2 3.74Å; F12-T22 HydrophobicContact CD2-CG2 3.78Å; F12-T22 HydrophobicContact CE1-CG2 3.96Å; F12-T22 HydrophobicContact CE2-CG2 4.01Å; F12-T22 HydrophobicContact CG-CG2 3.64Å; F12-T22 HydrophobicContact CZ-CG2 4.09Å; M17-T22 HydrophobicContact CB-CG2 3.85Å; M17-T22 HydrophobicContact CE-CG2 4.16Å; M17-T22 HydrophobicContact CG-CG2 4.34Å; T18-T22 PolarHBondContact O-N 3.03Å; T18-T22 PolarHBondContact O-OG1 3.47Å; K19-T22 WeakPolarHBondContact CA-OG1 3.38Å; K19-T22 PolarHBondContact O-N 3.05Å; K19-T22 VanDerWaalsContact O-N 3.09Å; T22-N24 PolarHBondContact O-N 3.11Å; T22-N24 VanDerWaalsContact O-N 3.1Å; T22-W25 WeakPolarHBondContact O-CB 2.94Å; T22-W25 PolarHBondContact O-N 3.38Å |
| 23 | D | 95.4 | Very high | 97.1 | Very high | 112 Ų | 112 | 45.6 Ų | 45.6 | 60% | 0.599 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.5 | -179.1 | -72.8 | -9.5 | 0 | 0 | 0 | 113.3 | K19 | K19-D23 WeakPolarHBondContact CB-OD1 2.97Å; K19-D23 WeakPolarHBondContact CB-OD2 3.5Å; K19-D23 WeakPolarHBondContact O-CB 3.29Å; K19-D23 PolarHBondContact O-N 2.91Å |
| 24 | N | 95.2 | Very high | 97.2 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 8% | 0.08 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 24.3 | 178.9 | -165.6 | 63.2 | 0 | 0 | 0 | 112.1 | T22 E26 N27 I28 K87 | T22-N24 PolarHBondContact O-N 3.11Å; T22-N24 VanDerWaalsContact O-N 3.1Å; N24-E26 PolarHBondContact O-N 3.42Å; N24-N27 PolarHBondContact ND2-ND2 3.22Å; N24-N27 PolarHBondContact O-N 3.49Å; N24-N27 WeakPolarHBondContact OD1-CB 3.32Å; N24-N27 PolarHBondContact OD1-ND2 3.22Å; N24-I28 HydrophobicContact CB-CD1 4.36Å; N24-I28 WeakPolarHBondContact O-CD1 3.48Å; N24-I28 WeakPolarHBondContact O-CG1 3.27Å; N24-I28 PolarHBondContact O-N 3.45Å; N24-K87 PolarHBondContact OD1-NZ 3.12Å |
| 25 | W | 97.4 | Very high | 97.1 | Very high | 31 Ų | 31 | 45.2 Ų | 45.2 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.4 | -50 | -168.6 | -173.9 | -113.2 | 0 | 0 | 0 | 114.4 | F12 T22 N27 I28 Q29 L106 F110 | F12-W25 AromaticContact CE1-CD2 3.76Å; F12-W25 HydrophobicContact CE1-CD2 3.76Å; F12-W25 AromaticContact CE1-CE2 3.68Å; F12-W25 AromaticContact CE1-CE3 3.96Å; F12-W25 HydrophobicContact CE1-CE3 3.96Å; F12-W25 HydrophobicContact CE1-CG 4.34Å; F12-W25 HydrophobicContact CE1-CH2 4.05Å; F12-W25 AromaticContact CE1-CZ2 3.83Å; F12-W25 HydrophobicContact CE1-CZ2 3.83Å; F12-W25 HydrophobicContact CE1-CZ3 4.12Å; F12-W25 HydrophobicContact CZ-CB 4.36Å; F12-W25 AromaticContact CZ-CD1 3.81Å; F12-W25 AromaticContact CZ-CD2 3.59Å; F12-W25 HydrophobicContact CZ-CD2 3.59Å; F12-W25 AromaticContact CZ-CE2 3.67Å; F12-W25 HydrophobicContact CZ-CE3 4.16Å; F12-W25 AromaticContact CZ-CG 3.68Å; F12-W25 HydrophobicContact CZ-CG 3.68Å; F12-W25 HydrophobicContact CZ-CZ2 4.28Å; F12-W25 AromaticContact CZ-NE1 3.76Å; T22-W25 WeakPolarHBondContact O-CB 2.94Å; T22-W25 PolarHBondContact O-N 3.38Å; W25-N27 VanDerWaalsContact C-N 3.27Å; W25-N27 PolarHBondContact O-N 2.8Å; W25-I28 HydrophobicContact CE3-CD1 4.45Å; W25-I28 CarbonylContact O-C 3.59Å; W25-I28 WeakPolarHBondContact O-CA 3.38Å; W25-I28 WeakPolarHBondContact O-CB 3.47Å; W25-I28 PolarHBondContact O-N 3.47Å; W25-Q29 HydrophobicContact CD2-CG 4.14Å; W25-Q29 HydrophobicContact CG-CG 4.4Å; W25-Q29 HydrophobicContact CZ2-CG 3.96Å; W25-Q29 PolarHBondContact O-N 3.42Å; W25-L106 HydrophobicContact CH2-CD2 4.44Å; W25-L106 HydrophobicContact CZ3-CD1 4.38Å; W25-L106 HydrophobicContact CZ3-CD2 4.06Å; W25-F110 HydrophobicContact CH2-CB 3.68Å; W25-F110 HydrophobicContact CH2-CD1 4.07Å; W25-F110 HydrophobicContact CH2-CD2 4.07Å; W25-F110 AromaticContact CH2-CG 3.66Å; W25-F110 HydrophobicContact CH2-CG 3.66Å; W25-F110 HydrophobicContact CZ2-CB 4.41Å; W25-F110 HydrophobicContact CZ2-CD1 4.09Å; W25-F110 HydrophobicContact CZ2-CG 4.16Å |
| 26 | E | 96.6 | Very high | 97.1 | Very high | 150 Ų | 150 | 47.4 Ų | 47.4 | 70% | 0.701 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.1 | -40 | -179.8 | -65.4 | -55.3 | 140.1 | 0 | 0 | 112 | N24 Q29 S30 | N24-E26 PolarHBondContact O-N 3.42Å; E26-Q29 PolarHBondContact O-N 2.97Å; E26-S30 WeakPolarHBondContact O-CB 3.35Å; E26-S30 PolarHBondContact O-N 2.97Å; E26-S30 PolarHBondContact O-OG 3.33Å |
| 27 | N | 95.4 | Very high | 97.1 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 21% | 0.214 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 176.5 | -174.5 | 26.4 | 0 | 0 | 0 | 111.3 | N24 W25 S30 F31 K89 D90 | N24-N27 PolarHBondContact ND2-ND2 3.22Å; N24-N27 PolarHBondContact O-N 3.49Å; N24-N27 WeakPolarHBondContact OD1-CB 3.32Å; N24-N27 PolarHBondContact OD1-ND2 3.22Å; W25-N27 VanDerWaalsContact C-N 3.27Å; W25-N27 PolarHBondContact O-N 2.8Å; N27-S30 WeakPolarHBondContact CA-OG 3.35Å; N27-S30 PolarHBondContact O-N 3.16Å; N27-S30 PolarHBondContact O-OG 3.41Å; N27-F31 PolarHBondContact O-N 2.83Å; N27-K89 WeakPolarHBondContact OD1-CD 3.05Å; N27-K89 WeakPolarHBondContact OD1-CE 3.37Å; N27-K89 PolarHBondContact OD1-NZ 2.69Å; N27-D90 PolarHBondContact ND2-OD1 3.09Å |
| 28 | I | 97.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -47.7 | 174.2 | -65.6 | 156.7 | 0 | 0 | 0 | 110.7 | N24 W25 S30 F31 L78 E79 L106 P112 | N24-I28 HydrophobicContact CB-CD1 4.36Å; N24-I28 WeakPolarHBondContact O-CD1 3.48Å; N24-I28 WeakPolarHBondContact O-CG1 3.27Å; N24-I28 PolarHBondContact O-N 3.45Å; W25-I28 HydrophobicContact CE3-CD1 4.45Å; W25-I28 CarbonylContact O-C 3.59Å; W25-I28 WeakPolarHBondContact O-CA 3.38Å; W25-I28 WeakPolarHBondContact O-CB 3.47Å; W25-I28 PolarHBondContact O-N 3.47Å; I28-S30 VanDerWaalsContact C-N 3.26Å; I28-S30 PolarHBondContact O-N 3.15Å; I28-F31 WeakPolarHBondContact O-CB 3.42Å; I28-F31 PolarHBondContact O-N 3.43Å; I28-F31 VanDerWaalsContact O-N 3.09Å; I28-L78 HydrophobicContact CG2-CD2 4.48Å; I28-L78 HydrophobicContact CG2-CG 4.23Å; I28-E79 HydrophobicContact CD1-CB 3.95Å; I28-L106 HydrophobicContact CG2-CD1 4.46Å; I28-P112 HydrophobicContact CG2-CG 4.2Å; I28-P112 VanDerWaalsContact O-CG 3.3Å; I28-P112 WeakPolarHBondContact O-CG 3.3Å |
| 29 | Q | 97.8 | Very high | 97.2 | Very high | 55 Ų | 55 | 46.5 Ų | 46.5 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.3 | -30 | 178.7 | -70.2 | -58.3 | -50.4 | 0 | 0 | 112.5 | W25 E26 F31 F110 | W25-Q29 HydrophobicContact CD2-CG 4.14Å; W25-Q29 HydrophobicContact CG-CG 4.4Å; W25-Q29 HydrophobicContact CZ2-CG 3.96Å; W25-Q29 PolarHBondContact O-N 3.42Å; E26-Q29 PolarHBondContact O-N 2.97Å; Q29-F31 PolarHBondContact O-N 3.22Å; Q29-F110 PolarHBondContact NE2-O 3.31Å |
| 30 | S | 97.1 | Very high | 97.3 | Very high | 56 Ų | 56 | 42 Ų | 42 | 39% | 0.392 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -3.5 | 174.8 | 80 | 0 | 0 | 0 | 0 | 114.7 | E26 N27 I28 K32 | E26-S30 WeakPolarHBondContact O-CB 3.35Å; E26-S30 PolarHBondContact O-N 2.97Å; E26-S30 PolarHBondContact O-OG 3.33Å; N27-S30 WeakPolarHBondContact CA-OG 3.35Å; N27-S30 PolarHBondContact O-N 3.16Å; N27-S30 PolarHBondContact O-OG 3.41Å; I28-S30 VanDerWaalsContact C-N 3.26Å; I28-S30 PolarHBondContact O-N 3.15Å; S30-K32 WeakPolarHBondContact O-CE 3.39Å; S30-K32 PolarHBondContact O-N 3.13Å |
| 31 | F | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | trans | -51.3 | 137.4 | -177.4 | -177.4 | -102.6 | 0 | 0 | 0 | 111.5 | N27 I28 Q29 A33 L78 K89 A92 D93 I102 P112 S114 F115 | N27-F31 PolarHBondContact O-N 2.83Å; I28-F31 WeakPolarHBondContact O-CB 3.42Å; I28-F31 PolarHBondContact O-N 3.43Å; I28-F31 VanDerWaalsContact O-N 3.09Å; Q29-F31 PolarHBondContact O-N 3.22Å; F31-A33 HydrophobicContact CD1-CB 4.43Å; F31-A33 HydrophobicContact CE1-CB 4.16Å; F31-L78 HydrophobicContact CD2-CD1 4.01Å; F31-L78 HydrophobicContact CE2-CD1 4.32Å; F31-L78 HydrophobicContact CG-CD1 4.12Å; F31-K89 HydrophobicContact CD2-CG 3.94Å; F31-A92 HydrophobicContact CE2-CB 3.86Å; F31-A92 HydrophobicContact CZ-CB 4.25Å; F31-D93 VanDerWaalsContact CE2-OD1 3.27Å; F31-D93 WeakPolarHBondContact CE2-OD1 3.49Å; F31-I102 HydrophobicContact CE1-CD1 3.93Å; F31-I102 HydrophobicContact CZ-CD1 3.5Å; F31-I102 VanDerWaalsContact CZ-CD1 3.5Å; F31-P112 HydrophobicContact CB-CB 4.29Å; F31-P112 HydrophobicContact CB-CG 4.3Å; F31-S114 VanDerWaalsContact O-CB 3.28Å; F31-S114 WeakPolarHBondContact O-CB 3.27Å; F31-S114 PolarHBondContact O-OG 2.81Å; F31-F115 HydrophobicContact CD1-CD2 4.43Å; F31-F115 AromaticContact CD1-CE2 3.59Å; F31-F115 HydrophobicContact CD1-CE2 3.59Å; F31-F115 AromaticContact CD1-CZ 3.65Å; F31-F115 HydrophobicContact CD1-CZ 3.65Å; F31-F115 AromaticContact CE1-CE1 3.94Å; F31-F115 HydrophobicContact CE1-CE1 3.94Å; F31-F115 AromaticContact CE1-CE2 3.79Å; F31-F115 HydrophobicContact CE1-CE2 3.79Å; F31-F115 AromaticContact CE1-CZ 3.3Å; F31-F115 HydrophobicContact CE1-CZ 3.3Å; F31-F115 HydrophobicContact CZ-CZ 4.27Å | ||
| 32 | K | 98 | Very high | 97.5 | Very high | 158 Ų | 158 | 41.5 Ų | 41.5 | 69% | 0.687 | 21% | 0.21 | S | C | * | . | trans | -106.6 | 94.8 | 179.3 | -58.7 | -58.1 | 179.2 | -176.2 | 0 | 108.8 | S30 R100 | S30-K32 WeakPolarHBondContact O-CE 3.39Å; S30-K32 PolarHBondContact O-N 3.13Å; K32-R100 PolarHBondContact O-NH2 3.3Å | ||
| 33 | A | 98.3 | Very high | 97.6 | Very high | 12 Ų | 12 | 41 Ų | 41 | 10% | 0.099 | 21% | 0.207 | C | C | . | . | trans | -60.4 | 149.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F31 D37 S114 F115 Q118 | F31-A33 HydrophobicContact CD1-CB 4.43Å; F31-A33 HydrophobicContact CE1-CB 4.16Å; A33-D37 WeakPolarHBondContact CA-OD2 3.47Å; A33-S114 PolarHBondContact N-OG 2.83Å; A33-F115 HydrophobicContact CB-CD1 3.7Å; A33-F115 HydrophobicContact CB-CE1 3.99Å; A33-F115 HydrophobicContact CB-CG 4.03Å; A33-Q118 HydrophobicContact CB-CB 4.38Å; A33-Q118 HydrophobicContact CB-CG 4.21Å; A33-Q118 WeakPolarHBondContact O-CG 3.28Å | ||
| 34 | R | 97.4 | Very high | 97.7 | Very high | 87 Ų | 87 | 35.7 Ų | 35.7 | 33% | 0.328 | 18% | 0.179 | S | C | . | . | trans | -100.5 | 153.2 | 168.7 | -60.8 | 167.7 | -169.8 | 171.6 | 6.2 | 108.7 | D36 D37 S120 | R34-D36 WeakPolarHBondContact CB-OD1 3.2Å; R34-D36 PolarHBondContact O-N 3.2Å; R34-D36 VanDerWaalsContact O-N 3.16Å; R34-D37 PolarHBondContact N-OD2 3.46Å; R34-D37 WeakPolarHBondContact O-CB 3.28Å; R34-D37 PolarHBondContact O-N 2.97Å; R34-D37 VanDerWaalsContact O-N 3.13Å; R34-S120 PolarHBondContact O-OG 3.44Å | ||
| 35 | P | 95.6 | Very high | 97.9 | Very high | 88 Ų | 88 | 36.3 Ų | 36.3 | 57% | 0.571 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -31.4 | 178.7 | -25.7 | 32.8 | 0 | 0 | 0 | 114.3 | ||
| 36 | D | 97 | Very high | 97.9 | Very high | 53 Ų | 53 | 34.8 Ų | 34.8 | 28% | 0.283 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -11 | -177.3 | 64.2 | -36.7 | 0 | 0 | 0 | 113.9 | R34 A98 P99 R121 | R34-D36 WeakPolarHBondContact CB-OD1 3.2Å; R34-D36 PolarHBondContact O-N 3.2Å; R34-D36 VanDerWaalsContact O-N 3.16Å; D36-A98 WeakPolarHBondContact OD2-CB 3.46Å; D36-P99 HydrophobicContact CB-CB 4.36Å; D36-P99 WeakPolarHBondContact O-CB 3.45Å; D36-P99 WeakPolarHBondContact OD2-CA 3.23Å; D36-R121 PolarHBondContact O-NH2 2.91Å |
| 37 | D | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -54.6 | 144.9 | 179.6 | -74.7 | -14.1 | 0 | 0 | 0 | 112.2 | A33 R34 R100 F115 R121 | A33-D37 WeakPolarHBondContact CA-OD2 3.47Å; R34-D37 PolarHBondContact N-OD2 3.46Å; R34-D37 WeakPolarHBondContact O-CB 3.28Å; R34-D37 PolarHBondContact O-N 2.97Å; R34-D37 VanDerWaalsContact O-N 3.13Å; D37-R100 VanDerWaalsContact OD1-CB 3.27Å; D37-R100 WeakPolarHBondContact OD1-CB 3.33Å; D37-R100 WeakPolarHBondContact OD1-CG 3.36Å; D37-R100 IonicContact OD1-CZ 2.8Å; D37-R100 IonicContact OD1-NE 2.86Å; D37-R100 PolarHBondContact OD1-NE 3.18Å; D37-R100 IonicContact OD1-NH2 3.94Å; D37-R100 IonicContact OD2-CZ 3.43Å; D37-R100 IonicContact OD2-NE 3.22Å; D37-R100 PolarHBondContact OD2-NE 3.03Å; D37-R100 IonicContact OD2-NH2 2.76Å; D37-R100 PolarHBondContact OD2-NH2 3.05Å; D37-F115 HydrophobicContact CB-CE1 4.37Å; D37-R121 PolarHBondContact O-N 2.77Å | ||
| 38 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 117.1 | 174.3 | -57.3 | 173 | 0 | 0 | 0 | 108.5 | L55 Y59 P99 R100 L101 I102 R121 V123 L209 | I38-L55 HydrophobicContact CG2-CD1 4.42Å; I38-Y59 HydrophobicContact CD1-CD2 4.26Å; I38-Y59 HydrophobicContact CD1-CE2 3.31Å; I38-Y59 VanDerWaalsContact CD1-CZ 3.5Å; I38-Y59 WeakPolarHBondContact CD1-OH 3.49Å; I38-P99 HydrophobicContact CD1-CB 4.32Å; I38-P99 HydrophobicContact CD1-CG 3.98Å; I38-P99 HydrophobicContact CG1-CB 4.35Å; I38-R100 PolarHBondContact N-O 3.4Å; I38-L101 HydrophobicContact CB-CD2 3.88Å; I38-L101 HydrophobicContact CD1-CD2 3.88Å; I38-L101 HydrophobicContact CG1-CD2 4.34Å; I38-L101 HydrophobicContact CG2-CD2 4.38Å; I38-I102 PolarHBondContact O-N 2.63Å; I38-R121 WeakPolarHBondContact CA-O 3.46Å; I38-R121 HydrophobicContact CG1-CB 4.29Å; I38-V123 HydrophobicContact CG2-CG2 4.2Å; I38-L209 HydrophobicContact CD1-CD2 3.93Å |
| 39 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 122.3 | 175.3 | -173.7 | 66.7 | 0 | 0 | 0 | 110 | I102 T104 V111 F115 R121 I122 V123 | L39-I102 CarbonylContact C-O 3.55Å; L39-I102 WeakPolarHBondContact CA-O 3.34Å; L39-I102 HydrophobicContact CD1-CB 4.39Å; L39-I102 HydrophobicContact CD1-CG2 4.2Å; L39-T104 HydrophobicContact CD1-CG2 3.69Å; L39-T104 HydrophobicContact CD2-CG2 4.1Å; L39-T104 HydrophobicContact CG-CG2 3.96Å; L39-V111 HydrophobicContact CD2-CG1 3.75Å; L39-F115 HydrophobicContact CB-CD1 4.18Å; L39-F115 HydrophobicContact CB-CE1 4.13Å; L39-F115 HydrophobicContact CD1-CE1 4.12Å; L39-F115 HydrophobicContact CD1-CE2 4.19Å; L39-F115 HydrophobicContact CD1-CZ 3.85Å; L39-F115 HydrophobicContact CD2-CD1 4.33Å; L39-F115 HydrophobicContact CD2-CD2 4.22Å; L39-F115 HydrophobicContact CD2-CE2 4.46Å; L39-F115 HydrophobicContact CD2-CG 4.15Å; L39-R121 PolarHBondContact N-O 3.49Å; L39-I122 HydrophobicContact CB-CG1 4.22Å; L39-I122 HydrophobicContact CD2-CD1 4.44Å; L39-I122 CarbonylContact O-C 3.6Å; L39-I122 VanDerWaalsContact O-CA 3.31Å; L39-I122 WeakPolarHBondContact O-CA 3.4Å; L39-V123 PolarHBondContact O-N 3.37Å |
| 40 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 102.6 | 176.9 | -56 | 166.9 | 0 | 0 | 0 | 107.4 | T48 V51 L55 V75 I102 K103 T104 V123 | I40-T48 HydrophobicContact CG2-CG2 4.12Å; I40-V51 HydrophobicContact CG2-CG1 3.51Å; I40-L55 HydrophobicContact CD1-CD1 3.5Å; I40-L55 VanDerWaalsContact CD1-CD1 3.5Å; I40-L55 HydrophobicContact CG1-CD1 3.62Å; I40-V75 HydrophobicContact CD1-CG1 3.86Å; I40-I102 PolarHBondContact N-O 3.05Å; I40-K103 HydrophobicContact CB-CB 4.2Å; I40-K103 CarbonylContact O-C 3.54Å; I40-K103 VanDerWaalsContact O-CA 3.26Å; I40-K103 WeakPolarHBondContact O-CA 3.01Å; I40-T104 PolarHBondContact O-N 3.35Å; I40-V123 WeakPolarHBondContact CA-O 3.3Å |
| 41 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 137 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | T104 I122 V123 Y124 V125 W176 | A41-T104 WeakPolarHBondContact CA-O 3.26Å; A41-T104 HydrophobicContact CB-CG2 3.95Å; A41-I122 HydrophobicContact CB-CG2 4.32Å; A41-V123 PolarHBondContact N-O 3.47Å; A41-Y124 HydrophobicContact CB-CD2 3.79Å; A41-Y124 HydrophobicContact CB-CE2 4.46Å; A41-Y124 VanDerWaalsContact O-CA 3.24Å; A41-Y124 WeakPolarHBondContact O-CA 3.5Å; A41-Y124 VanDerWaalsContact O-CD2 3.25Å; A41-Y124 WeakPolarHBondContact O-CD2 3.39Å; A41-V125 PolarHBondContact O-N 2.95Å; A41-V125 VanDerWaalsContact O-N 3.16Å; A41-W176 HydrophobicContact CB-CD2 4.41Å; A41-W176 HydrophobicContact CB-CE3 4.46Å; A41-W176 HydrophobicContact CB-CH2 3.47Å; A41-W176 VanDerWaalsContact CB-CH2 3.47Å; A41-W176 HydrophobicContact CB-CZ2 3.38Å; A41-W176 HydrophobicContact CB-CZ3 4.06Å |
| 42 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 150.4 | 177.6 | 50.3 | 0 | 0 | 0 | 0 | 109.4 | T48 T104 H105 V125 | T42-T48 HydrophobicContact CG2-CG2 4.14Å; T42-T48 WeakPolarHBondContact OG1-CB 3.35Å; T42-T48 WeakPolarHBondContact OG1-CG2 3.39Å; T42-T48 PolarHBondContact OG1-OG1 3.34Å; T42-T104 PolarHBondContact N-O 2.85Å; T42-H105 WeakPolarHBondContact O-CA 3.11Å; T42-H105 PolarHBondContact O-ND1 3.09Å; T42-H105 PolarHBondContact OG1-CE1 2.98Å; T42-H105 PolarHBondContact OG1-ND1 3.35Å; T42-H105 VanDerWaalsContact OG1-ND1 3.12Å; T42-V125 HydrophobicContact CG2-CB 3.74Å; T42-V125 HydrophobicContact CG2-CG2 4.24Å; T42-V125 WeakPolarHBondContact CG2-O 3.34Å |
| 43 | Y | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -64.7 | 147.5 | 156.2 | -172.5 | -94.8 | 0 | 0 | 0 | 109 | K45 A46 Y136 F159 V164 G167 W169 H172 | Y43-K45 PolarHBondContact O-N 3.46Å; Y43-A46 WeakPolarHBondContact O-CB 3.31Å; Y43-A46 PolarHBondContact O-N 3.45Å; Y43-Y136 AromaticContact CE1-CD1 3.97Å; Y43-Y136 HydrophobicContact CE1-CD1 3.97Å; Y43-Y136 HydrophobicContact CE1-CE1 4.09Å; Y43-F159 AromaticContact CE1-CE2 3.83Å; Y43-F159 HydrophobicContact CE1-CE2 3.83Å; Y43-F159 HydrophobicContact CE1-CZ 4.43Å; Y43-V164 VanDerWaalsContact OH-CG2 3.22Å; Y43-V164 WeakPolarHBondContact OH-CG2 3.46Å; Y43-G167 PolarHBondContact OH-O 3.5Å; Y43-W169 HydrophobicContact CD1-CB 4.37Å; Y43-W169 AromaticContact CD1-CD1 3.5Å; Y43-W169 HydrophobicContact CD1-CG 4.32Å; Y43-W169 HydrophobicContact CD2-CB 4.4Å; Y43-W169 HydrophobicContact CE1-CB 4.03Å; Y43-W169 AromaticContact CE1-CD1 3.87Å; Y43-W169 HydrophobicContact CE1-CG 4.37Å; Y43-W169 HydrophobicContact CE2-CB 4.07Å; Y43-W169 AromaticContact CG-CD1 3.82Å; Y43-H172 HydrophobicContact CD2-CB 3.73Å; Y43-H172 AromaticContact CD2-CD2 3.91Å; Y43-H172 AromaticContact CD2-CG 3.71Å; Y43-H172 HydrophobicContact CE2-CB 4.47Å; Y43-H172 PolarHBondContact N-CE1 2.8Å |
| 44 | P | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.013 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 134.2 | 178.1 | -30 | 34.8 | 0 | 0 | 0 | 112.6 | H105 Y136 F166 | P44-H105 HydrophobicContact CG-CB 4.25Å; P44-Y136 HydrophobicContact CB-CD1 4.25Å; P44-Y136 HydrophobicContact CB-CE1 3.81Å; P44-Y136 HydrophobicContact CB-CE2 4.27Å; P44-Y136 HydrophobicContact CG-CE1 4.02Å; P44-F166 HydrophobicContact CG-CB 4.24Å; P44-F166 HydrophobicContact CG-CD2 3.44Å; P44-F166 VanDerWaalsContact CG-CD2 3.44Å; P44-F166 HydrophobicContact CG-CE2 4.18Å; P44-F166 HydrophobicContact CG-CG 4.15Å |
| 45 | K | 98.5 | Very high | 98.3 | Very high | 27 Ų | 27 | 11.9 Ų | 11.9 | 12% | 0.117 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 17.6 | 174.9 | -39.9 | -50.9 | -61.1 | 179.5 | 0 | 116.2 | Y43 R127 S135 Y136 F139 | Y43-K45 PolarHBondContact O-N 3.46Å; K45-R127 WeakPolarHBondContact O-CD 3.17Å; K45-R127 PolarHBondContact O-NH1 3.32Å; K45-S135 WeakPolarHBondContact CE-OG 3.19Å; K45-Y136 HydrophobicContact CG-CD2 4.32Å; K45-Y136 HydrophobicContact CG-CG 4.18Å; K45-F139 HydrophobicContact CD-CB 3.84Å; K45-F139 HydrophobicContact CD-CD1 3.66Å; K45-F139 HydrophobicContact CD-CD2 4.42Å; K45-F139 HydrophobicContact CD-CE1 4.25Å; K45-F139 HydrophobicContact CD-CG 3.73Å |
| 46 | A | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -89 | 11 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y43 V125 R127 | Y43-A46 WeakPolarHBondContact O-CB 3.31Å; Y43-A46 PolarHBondContact O-N 3.45Å; A46-V125 WeakPolarHBondContact CB-O 3.31Å; A46-V125 VanDerWaalsContact O-CG1 3.29Å; A46-V125 WeakPolarHBondContact O-CG1 3.32Å; A46-R127 HydrophobicContact CB-CB 3.71Å |
| 47 | G | 97.4 | Very high | 98.3 | Very high | 14 Ų | 14 | 5.5 Ų | 5.5 | 14% | 0.144 | 3% | 0.03 | C | C | . | . | S | Bend | trans | 104.5 | 18.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.7 | T49 W50 V51 | G47-T49 VanDerWaalsContact C-N 3.35Å; G47-T49 PolarHBondContact O-N 2.88Å; G47-W50 VanDerWaalsContact O-CB 3.32Å; G47-W50 WeakPolarHBondContact O-CB 3.46Å; G47-W50 PolarHBondContact O-N 2.91Å; G47-V51 PolarHBondContact O-N 3.24Å; G47-V51 VanDerWaalsContact O-N 3.16Å |
| 48 | T | 98.5 | Very high | 98.1 | Very high | 11 Ų | 11 | 6.5 Ų | 6.5 | 7% | 0.067 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -50.7 | -47.6 | -178.5 | -28.3 | 0 | 0 | 0 | 0 | 113.5 | I40 T42 W50 V51 S52 K103 H105 | I40-T48 HydrophobicContact CG2-CG2 4.12Å; T42-T48 HydrophobicContact CG2-CG2 4.14Å; T42-T48 WeakPolarHBondContact OG1-CB 3.35Å; T42-T48 WeakPolarHBondContact OG1-CG2 3.39Å; T42-T48 PolarHBondContact OG1-OG1 3.34Å; T48-W50 VanDerWaalsContact C-N 3.26Å; T48-W50 PolarHBondContact O-N 3.38Å; T48-V51 WeakPolarHBondContact O-CG1 3.47Å; T48-S52 WeakPolarHBondContact O-CB 3.48Å; T48-S52 PolarHBondContact O-N 2.82Å; T48-S52 PolarHBondContact O-OG 3.02Å; T48-K103 HydrophobicContact CG2-CB 4.08Å; T48-K103 HydrophobicContact CG2-CD 4.15Å; T48-H105 PolarHBondContact OG1-CE1 3.42Å |
| 49 | T | 98.4 | Very high | 98 | Very high | 15 Ų | 15 | 8.9 Ų | 8.9 | 9% | 0.092 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -62 | -36.3 | 178.8 | -57.4 | 0 | 0 | 0 | 0 | 112 | G47 Y53 L71 M230 F238 F251 M252 | G47-T49 VanDerWaalsContact C-N 3.35Å; G47-T49 PolarHBondContact O-N 2.88Å; T49-Y53 WeakPolarHBondContact O-CB 3.27Å; T49-Y53 PolarHBondContact O-N 3.42Å; T49-L71 HydrophobicContact CG2-CD2 3.89Å; T49-M230 HydrophobicContact CG2-CE 3.98Å; T49-F238 HydrophobicContact CG2-CE2 3.82Å; T49-F251 HydrophobicContact CG2-CE1 4.19Å; T49-F251 WeakPolarHBondContact OG1-CE1 3.3Å; T49-F251 VanDerWaalsContact OG1-CZ 3.28Å; T49-F251 WeakPolarHBondContact OG1-CZ 3.5Å; T49-M252 HydrophobicContact CG2-CE 3.76Å |
| 50 | W | 98.5 | Very high | 97.7 | Very high | 35 Ų | 35 | 11.1 Ų | 11.1 | 13% | 0.133 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -67.9 | -54.4 | -177.5 | -168.1 | 13.7 | 0 | 0 | 0 | 110.8 | G47 T48 S52 Y53 I54 Y191 L194 I195 V225 M230 | G47-W50 VanDerWaalsContact O-CB 3.32Å; G47-W50 WeakPolarHBondContact O-CB 3.46Å; G47-W50 PolarHBondContact O-N 2.91Å; T48-W50 VanDerWaalsContact C-N 3.26Å; T48-W50 PolarHBondContact O-N 3.38Å; W50-S52 VanDerWaalsContact C-N 3.29Å; W50-S52 PolarHBondContact O-N 3.07Å; W50-Y53 PolarHBondContact O-N 2.87Å; W50-I54 HydrophobicContact CG-CD1 4.37Å; W50-I54 WeakPolarHBondContact O-CG1 3.24Å; W50-I54 PolarHBondContact O-N 3.06Å; W50-Y191 AromaticContact CE3-CD2 4Å; W50-Y191 HydrophobicContact CE3-CD2 4Å; W50-Y191 AromaticContact CE3-CE2 3.59Å; W50-Y191 HydrophobicContact CE3-CE2 3.59Å; W50-Y191 HydrophobicContact CZ3-CD2 4.1Å; W50-Y191 AromaticContact CZ3-CE2 3.71Å; W50-Y191 HydrophobicContact CZ3-CE2 3.71Å; W50-L194 HydrophobicContact CE3-CB 4.15Å; W50-L194 HydrophobicContact CE3-CD1 4.4Å; W50-L194 HydrophobicContact CH2-CB 3.79Å; W50-L194 VanDerWaalsContact CH2-O 3.24Å; W50-L194 WeakPolarHBondContact CH2-O 3.42Å; W50-L194 HydrophobicContact CZ3-CB 3.53Å; W50-I195 HydrophobicContact CH2-CD1 3.48Å; W50-I195 VanDerWaalsContact CH2-CD1 3.48Å; W50-I195 HydrophobicContact CH2-CG1 4Å; W50-I195 HydrophobicContact CZ3-CD1 3.46Å; W50-I195 VanDerWaalsContact CZ3-CD1 3.46Å; W50-I195 HydrophobicContact CZ3-CG1 3.81Å; W50-V225 PolarHBondContact NE1-O 3.44Å; W50-M230 VanDerWaalsContact CD1-SD 3.58Å; W50-M230 HydrophobicContact CG-SD 4.36Å |
| 51 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65.1 | -33.4 | 177.1 | 73 | 0 | 0 | 0 | 0 | 112.2 | I40 G47 T48 Y53 I54 L55 V123 V125 L205 | I40-V51 HydrophobicContact CG2-CG1 3.51Å; G47-V51 PolarHBondContact O-N 3.24Å; G47-V51 VanDerWaalsContact O-N 3.16Å; T48-V51 WeakPolarHBondContact O-CG1 3.47Å; V51-Y53 PolarHBondContact O-N 3.49Å; V51-I54 PolarHBondContact O-N 2.93Å; V51-L55 HydrophobicContact CG2-CD1 4.22Å; V51-L55 HydrophobicContact CG2-CG 4.49Å; V51-L55 WeakPolarHBondContact O-CB 3.43Å; V51-L55 VanDerWaalsContact O-CG 3.27Å; V51-L55 WeakPolarHBondContact O-CG 3.31Å; V51-L55 PolarHBondContact O-N 3.1Å; V51-V123 HydrophobicContact CG2-CG1 3.91Å; V51-V125 HydrophobicContact CB-CG2 4.06Å; V51-V125 HydrophobicContact CG1-CG2 3.8Å; V51-V125 HydrophobicContact CG2-CG2 4.2Å; V51-L205 HydrophobicContact CG2-CD2 4.21Å |
| 52 | S | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.007 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 174.4 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | T48 W50 L55 D56 | T48-S52 WeakPolarHBondContact O-CB 3.48Å; T48-S52 PolarHBondContact O-N 2.82Å; T48-S52 PolarHBondContact O-OG 3.02Å; W50-S52 VanDerWaalsContact C-N 3.29Å; W50-S52 PolarHBondContact O-N 3.07Å; S52-L55 PolarHBondContact O-N 3.16Å; S52-D56 WeakPolarHBondContact O-CB 3.21Å; S52-D56 PolarHBondContact O-N 3.42Å |
| 53 | Y | 97.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 0% | 0.004 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -73.5 | -38 | 179.1 | -169.5 | -139.1 | 0 | 0 | 0 | 111.9 | T49 W50 V51 L55 D56 L57 E62 L71 K224 V225 M230 N233 T236 | T49-Y53 WeakPolarHBondContact O-CB 3.27Å; T49-Y53 PolarHBondContact O-N 3.42Å; W50-Y53 PolarHBondContact O-N 2.87Å; V51-Y53 PolarHBondContact O-N 3.49Å; Y53-L55 VanDerWaalsContact C-N 3.32Å; Y53-L55 PolarHBondContact O-N 3.23Å; Y53-D56 PolarHBondContact O-N 2.99Å; Y53-L57 HydrophobicContact CD1-CD1 4.18Å; Y53-L57 HydrophobicContact CD2-CD1 4.33Å; Y53-L57 HydrophobicContact CD2-CG 4.06Å; Y53-L57 HydrophobicContact CE1-CD1 3.92Å; Y53-L57 HydrophobicContact CE2-CD1 4.05Å; Y53-L57 HydrophobicContact CE2-CD2 3.82Å; Y53-L57 HydrophobicContact CE2-CG 3.81Å; Y53-L57 HydrophobicContact CG-CD1 4.39Å; Y53-L57 WeakPolarHBondContact O-CB 3.33Å; Y53-L57 VanDerWaalsContact O-CG 3.3Å; Y53-L57 WeakPolarHBondContact O-CG 3.47Å; Y53-L57 PolarHBondContact O-N 3.09Å; Y53-E62 PolarHBondContact OH-OE1 2.84Å; Y53-L71 HydrophobicContact CD2-CD1 4.3Å; Y53-K224 HydrophobicContact CE1-CB 4.26Å; Y53-V225 HydrophobicContact CD1-CG1 3.91Å; Y53-V225 HydrophobicContact CE1-CG1 4.39Å; Y53-M230 HydrophobicContact CD1-CE 3.8Å; Y53-M230 HydrophobicContact CD1-CG 3.85Å; Y53-M230 HydrophobicContact CD1-SD 3.88Å; Y53-M230 HydrophobicContact CE1-CG 4.12Å; Y53-M230 HydrophobicContact CG-CE 4.18Å; Y53-N233 PolarHBondContact OH-ND2 3.39Å; Y53-T236 HydrophobicContact CD1-CG2 3.74Å; Y53-T236 HydrophobicContact CD2-CG2 3.85Å; Y53-T236 HydrophobicContact CE1-CG2 3.95Å; Y53-T236 HydrophobicContact CE2-CG2 4.09Å; Y53-T236 HydrophobicContact CG-CG2 3.68Å |
| 54 | I | 98.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -53.9 | -51.2 | 170.5 | -70.7 | 164.1 | 0 | 0 | 0 | 110 | W50 V51 L57 L58 L194 I202 L205 V221 V225 | W50-I54 HydrophobicContact CG-CD1 4.37Å; W50-I54 WeakPolarHBondContact O-CG1 3.24Å; W50-I54 PolarHBondContact O-N 3.06Å; V51-I54 PolarHBondContact O-N 2.93Å; I54-L57 PolarHBondContact O-N 2.61Å; I54-L58 HydrophobicContact CG2-CD1 3.73Å; I54-L58 HydrophobicContact CG2-CG 4.39Å; I54-L58 WeakPolarHBondContact O-CB 3.5Å; I54-L58 VanDerWaalsContact O-CG 3.25Å; I54-L58 WeakPolarHBondContact O-CG 3.42Å; I54-L58 PolarHBondContact O-N 2.73Å; I54-L194 HydrophobicContact CD1-CD2 4.38Å; I54-I202 HydrophobicContact CD1-CD1 4.38Å; I54-I202 HydrophobicContact CD1-CG1 4.19Å; I54-I202 HydrophobicContact CG1-CD1 4.47Å; I54-I202 HydrophobicContact CG2-CG1 3.98Å; I54-L205 HydrophobicContact CG2-CD2 3.93Å; I54-V221 HydrophobicContact CG2-CG1 4.44Å; I54-V225 HydrophobicContact CD1-CG2 4.42Å; I54-V225 HydrophobicContact CG1-CB 3.92Å; I54-V225 HydrophobicContact CG1-CG1 3.65Å; I54-V225 HydrophobicContact CG1-CG2 4Å |
| 55 | L | 97.9 | Very high | 91 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.7 | -42.5 | -179.6 | -70.9 | 169.1 | 0 | 0 | 0 | 112.7 | I38 I40 V51 S52 Y53 L57 L58 Y59 L101 V123 L205 L209 | I38-L55 HydrophobicContact CG2-CD1 4.42Å; I40-L55 HydrophobicContact CD1-CD1 3.5Å; I40-L55 VanDerWaalsContact CD1-CD1 3.5Å; I40-L55 HydrophobicContact CG1-CD1 3.62Å; V51-L55 HydrophobicContact CG2-CD1 4.22Å; V51-L55 HydrophobicContact CG2-CG 4.49Å; V51-L55 WeakPolarHBondContact O-CB 3.43Å; V51-L55 VanDerWaalsContact O-CG 3.27Å; V51-L55 WeakPolarHBondContact O-CG 3.31Å; V51-L55 PolarHBondContact O-N 3.1Å; S52-L55 PolarHBondContact O-N 3.16Å; Y53-L55 VanDerWaalsContact C-N 3.32Å; Y53-L55 PolarHBondContact O-N 3.23Å; L55-L57 VanDerWaalsContact C-N 3.35Å; L55-L57 PolarHBondContact O-N 3.2Å; L55-L58 PolarHBondContact O-N 2.93Å; L55-Y59 WeakPolarHBondContact O-CD2 3.47Å; L55-Y59 PolarHBondContact O-N 3.12Å; L55-L101 HydrophobicContact CB-CD1 3.84Å; L55-L101 HydrophobicContact CB-CD2 4.25Å; L55-V123 HydrophobicContact CD1-CG2 4.41Å; L55-L205 HydrophobicContact CD2-CD1 4.31Å; L55-L205 HydrophobicContact CD2-CD2 3.86Å; L55-L205 HydrophobicContact CD2-CG 4.23Å; L55-L205 HydrophobicContact CG-CD2 4.26Å; L55-L209 HydrophobicContact CD2-CD1 3.35Å |
| 56 | D | 96.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 177.7 | -175.9 | 69.3 | 0 | 0 | 0 | 111.2 | S52 Y53 F60 R66 L71 R74 L101 | S52-D56 WeakPolarHBondContact O-CB 3.21Å; S52-D56 PolarHBondContact O-N 3.42Å; Y53-D56 PolarHBondContact O-N 2.99Å; D56-F60 WeakPolarHBondContact O-CB 3.33Å; D56-F60 WeakPolarHBondContact O-CD2 3.47Å; D56-F60 PolarHBondContact O-N 3.22Å; D56-F60 WeakPolarHBondContact OD1-CD2 3.37Å; D56-R66 IonicContact OD1-CZ 3.59Å; D56-R66 IonicContact OD1-NH2 3.94Å; D56-R66 PolarHBondContact OD1-NH2 3.12Å; D56-L71 HydrophobicContact CB-CD1 4.17Å; D56-R74 WeakPolarHBondContact OD2-CD 3.31Å; D56-R74 IonicContact OD2-CZ 3.57Å; D56-R74 IonicContact OD2-NE 3.62Å; D56-R74 IonicContact OD2-NH1 2.81Å; D56-R74 PolarHBondContact OD2-NH1 2.86Å; D56-L101 HydrophobicContact CB-CD1 4.09Å |
| 57 | L | 95.9 | Very high | 88.6 | Confident | 8 Ų | 8 | 33.1 Ų | 33.1 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.2 | -40.9 | 176.5 | -66.8 | 175.5 | 0 | 0 | 0 | 112.6 | Y53 I54 L55 Y59 G61 E62 V221 K224 V225 | Y53-L57 HydrophobicContact CD1-CD1 4.18Å; Y53-L57 HydrophobicContact CD2-CD1 4.33Å; Y53-L57 HydrophobicContact CD2-CG 4.06Å; Y53-L57 HydrophobicContact CE1-CD1 3.92Å; Y53-L57 HydrophobicContact CE2-CD1 4.05Å; Y53-L57 HydrophobicContact CE2-CD2 3.82Å; Y53-L57 HydrophobicContact CE2-CG 3.81Å; Y53-L57 HydrophobicContact CG-CD1 4.39Å; Y53-L57 WeakPolarHBondContact O-CB 3.33Å; Y53-L57 VanDerWaalsContact O-CG 3.3Å; Y53-L57 WeakPolarHBondContact O-CG 3.47Å; Y53-L57 PolarHBondContact O-N 3.09Å; I54-L57 PolarHBondContact O-N 2.61Å; L55-L57 VanDerWaalsContact C-N 3.35Å; L55-L57 PolarHBondContact O-N 3.2Å; L57-Y59 PolarHBondContact O-N 3.24Å; L57-G61 VanDerWaalsContact O-CA 3.27Å; L57-G61 WeakPolarHBondContact O-CA 3.42Å; L57-G61 PolarHBondContact O-N 3.04Å; L57-E62 HydrophobicContact CD2-CG 3.56Å; L57-V221 HydrophobicContact CB-CG2 3.82Å; L57-V221 HydrophobicContact CD1-CG2 4.5Å; L57-K224 HydrophobicContact CD1-CB 3.78Å; L57-V225 HydrophobicContact CD1-CG1 3.69Å |
| 58 | L | 96.1 | Very high | 87.8 | Confident | 21 Ų | 21 | 36.9 Ų | 36.9 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.8 | -37.8 | 179.5 | -75.5 | 171.3 | 0 | 0 | 0 | 112.7 | I54 L55 I202 L211 P213 V221 | I54-L58 HydrophobicContact CG2-CD1 3.73Å; I54-L58 HydrophobicContact CG2-CG 4.39Å; I54-L58 WeakPolarHBondContact O-CB 3.5Å; I54-L58 VanDerWaalsContact O-CG 3.25Å; I54-L58 WeakPolarHBondContact O-CG 3.42Å; I54-L58 PolarHBondContact O-N 2.73Å; L55-L58 PolarHBondContact O-N 2.93Å; L58-I202 HydrophobicContact CD1-CG2 4.43Å; L58-L211 HydrophobicContact CB-CD1 4.1Å; L58-P213 HydrophobicContact CD2-CB 4.24Å; L58-P213 HydrophobicContact CD2-CG 4.14Å; L58-V221 HydrophobicContact CD2-CG2 4.06Å; L58-V221 HydrophobicContact CG-CG2 4.35Å |
| 59 | Y | 95 | Very high | 87.4 | Confident | 50 Ų | 50 | 38.7 Ų | 38.7 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -86.6 | -34.7 | -179.1 | -86.3 | -77.8 | 0 | 0 | 0 | 113.8 | I38 L55 L57 P99 L101 R121 L209 L211 | I38-Y59 HydrophobicContact CD1-CD2 4.26Å; I38-Y59 HydrophobicContact CD1-CE2 3.31Å; I38-Y59 VanDerWaalsContact CD1-CZ 3.5Å; I38-Y59 WeakPolarHBondContact CD1-OH 3.49Å; L55-Y59 WeakPolarHBondContact O-CD2 3.47Å; L55-Y59 PolarHBondContact O-N 3.12Å; L57-Y59 PolarHBondContact O-N 3.24Å; Y59-P99 VanDerWaalsContact CD1-CD 3.43Å; Y59-P99 HydrophobicContact CD1-CG 3.55Å; Y59-P99 HydrophobicContact CD2-CG 4.29Å; Y59-P99 HydrophobicContact CE1-CG 3.45Å; Y59-P99 VanDerWaalsContact CE1-CG 3.45Å; Y59-P99 HydrophobicContact CE2-CG 4.21Å; Y59-P99 HydrophobicContact CG-CG 3.99Å; Y59-L101 HydrophobicContact CD2-CD2 4.34Å; Y59-R121 PolarHBondContact OH-NH1 2.96Å; Y59-L209 HydrophobicContact CE2-CD1 4.16Å; Y59-L211 HydrophobicContact CD2-CD1 4.33Å; Y59-L211 HydrophobicContact CE1-CD1 4.48Å; Y59-L211 HydrophobicContact CE1-CD2 3.87Å; Y59-L211 HydrophobicContact CE2-CD1 3.83Å |
| 60 | F | 92.9 | Very high | 87.2 | Confident | 46 Ų | 46 | 38.9 Ų | 38.9 | 20% | 0.202 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -123 | -9 | -167.1 | -48.7 | -60.5 | 0 | 0 | 0 | 114.2 | D56 P63 T97 P99 L101 | D56-F60 WeakPolarHBondContact O-CB 3.33Å; D56-F60 WeakPolarHBondContact O-CD2 3.47Å; D56-F60 PolarHBondContact O-N 3.22Å; D56-F60 WeakPolarHBondContact OD1-CD2 3.37Å; F60-P63 WeakPolarHBondContact O-CD 3.44Å; F60-T97 HydrophobicContact CD1-CG2 4.38Å; F60-T97 HydrophobicContact CE1-CG2 3.9Å; F60-T97 HydrophobicContact CE2-CG2 4.42Å; F60-T97 HydrophobicContact CZ-CG2 3.93Å; F60-P99 WeakPolarHBondContact CZ-O 3.28Å; F60-L101 HydrophobicContact CE2-CD1 3.88Å; F60-L101 HydrophobicContact CE2-CG 4.13Å |
| 61 | G | 88.3 | Confident | 87 | Confident | 23 Ų | 23 | 37.3 Ų | 37.3 | 24% | 0.237 | 22% | 0.218 | C | C | . | . | trans | 59.8 | -156.4 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | L57 P63 | L57-G61 VanDerWaalsContact O-CA 3.27Å; L57-G61 WeakPolarHBondContact O-CA 3.42Å; L57-G61 PolarHBondContact O-N 3.04Å; G61-P63 WeakPolarHBondContact O-CD 3.25Å | ||
| 62 | E | 74.4 | Confident | 86.7 | Confident | 65 Ų | 65 | 38.3 Ų | 38.3 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | trans | -118.7 | 81.4 | 170.5 | -86.7 | -169.1 | 164.6 | 0 | 0 | 111.2 | Y53 L57 K224 | Y53-E62 PolarHBondContact OH-OE1 2.84Å; L57-E62 HydrophobicContact CD2-CG 3.56Å; E62-K224 IonicContact OE1-NZ 3.94Å; E62-K224 VanDerWaalsContact OE2-CE 3.29Å; E62-K224 WeakPolarHBondContact OE2-CE 3.44Å; E62-K224 IonicContact OE2-NZ 3.32Å; E62-K224 PolarHBondContact OE2-NZ 3.19Å | ||
| 63 | P | 63.8 | Low | 86.5 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 32% | 0.318 | 24% | 0.244 | S | C | . | . | trans | -73 | 140.8 | 162.9 | 29.1 | -31.2 | 0 | 0 | 0 | 109.5 | F60 G61 C65 R66 S67 | F60-P63 WeakPolarHBondContact O-CD 3.44Å; G61-P63 WeakPolarHBondContact O-CD 3.25Å; P63-C65 PolarHBondContact O-N 2.84Å; P63-R66 HydrophobicContact CG-CB 4.1Å; P63-R66 HydrophobicContact CG-CG 3.89Å; P63-R66 PolarHBondContact O-N 3.26Å; P63-S67 PolarHBondContact O-N 3.48Å | ||
| 64 | D | 65.8 | Low | 86.3 | Confident | 147 Ų | 147 | 43.3 Ų | 43.3 | 79% | 0.786 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -50 | -35.3 | -178 | -72.7 | -28.4 | 0 | 0 | 0 | 113 | R66 S67 | D64-R66 VanDerWaalsContact C-N 3.32Å; D64-R66 PolarHBondContact O-N 3.15Å; D64-S67 WeakPolarHBondContact O-CB 3.41Å; D64-S67 PolarHBondContact O-N 3.04Å; D64-S67 PolarHBondContact O-OG 3.03Å |
| 65 | C | 62.5 | Low | 86.3 | Confident | 99 Ų | 99 | 43.2 Ų | 43.2 | 67% | 0.669 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -67.6 | -24.3 | -179.7 | 65.1 | 0 | 0 | 0 | 0 | 114.7 | P63 | P63-C65 PolarHBondContact O-N 2.84Š|
| 66 | R | 73 | Confident | 86.3 | Confident | 47 Ų | 47 | 43.2 Ų | 43.2 | 18% | 0.177 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -93.1 | -15.7 | 177.3 | -68.1 | 178 | 72.4 | 107.3 | -6.1 | 112.3 | D56 P63 D64 S68 V69 R74 | D56-R66 IonicContact OD1-CZ 3.59Å; D56-R66 IonicContact OD1-NH2 3.94Å; D56-R66 PolarHBondContact OD1-NH2 3.12Å; P63-R66 HydrophobicContact CG-CB 4.1Å; P63-R66 HydrophobicContact CG-CG 3.89Å; P63-R66 PolarHBondContact O-N 3.26Å; D64-R66 VanDerWaalsContact C-N 3.32Å; D64-R66 PolarHBondContact O-N 3.15Å; R66-S68 PolarHBondContact O-N 3.36Å; R66-S68 VanDerWaalsContact O-N 3.13Å; R66-V69 PolarHBondContact O-N 3.22Å; R66-V69 VanDerWaalsContact O-N 3.17Å; R66-R74 PolarHBondContact O-NH2 2.9Å |
| 67 | S | 72.7 | Confident | 86.4 | Confident | 63 Ų | 63 | 44.2 Ų | 44.2 | 44% | 0.441 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.9 | -176.8 | 72.3 | 0 | 0 | 0 | 0 | 113.9 | P63 D64 V235 | P63-S67 PolarHBondContact O-N 3.48Å; D64-S67 WeakPolarHBondContact O-CB 3.41Å; D64-S67 PolarHBondContact O-N 3.04Å; D64-S67 PolarHBondContact O-OG 3.03Å; S67-V235 WeakPolarHBondContact O-CG2 3.43Å |
| 68 | S | 81.2 | Confident | 86.5 | Confident | 93 Ų | 93 | 43.9 Ų | 43.9 | 65% | 0.65 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -18.3 | 179.4 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | R66 P70 | R66-S68 PolarHBondContact O-N 3.36Å; R66-S68 VanDerWaalsContact O-N 3.13Å; S68-P70 WeakPolarHBondContact O-CD 3.12Å |
| 69 | V | 89.8 | Confident | 86.6 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 30% | 0.297 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -78.7 | 124.2 | -177.4 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | R66 E73 R74 | R66-V69 PolarHBondContact O-N 3.22Å; R66-V69 VanDerWaalsContact O-N 3.17Å; V69-E73 HydrophobicContact CG1-CB 3.89Å; V69-R74 HydrophobicContact CB-CG 4.44Å; V69-R74 HydrophobicContact CG1-CG 4Å; V69-R74 PolarHBondContact O-NE 2.89Å; V69-R74 PolarHBondContact O-NH2 3.32Å |
| 70 | P | 93.2 | Very high | 86.7 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | trans | -60.1 | 147.3 | 178.8 | -24.2 | 34.6 | 0 | 0 | 0 | 113.5 | S68 Q72 E73 R74 | S68-P70 WeakPolarHBondContact O-CD 3.12Å; P70-Q72 HydrophobicContact CB-CG 4.27Å; P70-Q72 VanDerWaalsContact CB-OE1 3.29Å; P70-Q72 PolarHBondContact O-N 2.77Å; P70-E73 WeakPolarHBondContact CD-OE1 3.34Å; P70-E73 PolarHBondContact O-N 2.68Å; P70-R74 PolarHBondContact O-N 2.81Å | ||
| 71 | L | 94.6 | Very high | 86.7 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.4 | -30.8 | -176.8 | -173.8 | 67.4 | 0 | 0 | 0 | 112.2 | T49 Y53 D56 E73 R74 V75 V235 T236 | T49-L71 HydrophobicContact CG2-CD2 3.89Å; Y53-L71 HydrophobicContact CD2-CD1 4.3Å; D56-L71 HydrophobicContact CB-CD1 4.17Å; L71-E73 PolarHBondContact O-N 3.37Å; L71-R74 HydrophobicContact CD1-CB 4.45Å; L71-R74 PolarHBondContact O-N 2.81Å; L71-V75 HydrophobicContact CD1-CG2 3.87Å; L71-V75 HydrophobicContact CG-CG2 4.37Å; L71-V75 PolarHBondContact O-N 2.99Å; L71-V235 HydrophobicContact CB-CG1 4.01Å; L71-V235 WeakPolarHBondContact CB-O 3.13Å; L71-V235 PolarHBondContact N-O 3.21Å; L71-T236 HydrophobicContact CD2-CG2 4.29Å |
| 72 | Q | 92.8 | Very high | 86.8 | Confident | 21 Ų | 21 | 38.7 Ų | 38.7 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.7 | -17.9 | 177.2 | 66.5 | -87.7 | 14.8 | 0 | 0 | 114.6 | P70 P76 F238 | P70-Q72 HydrophobicContact CB-CG 4.27Å; P70-Q72 VanDerWaalsContact CB-OE1 3.29Å; P70-Q72 PolarHBondContact O-N 2.77Å; Q72-P76 WeakPolarHBondContact O-CA 3.32Å; Q72-F238 HydrophobicContact CB-CE1 4.03Å; Q72-F238 HydrophobicContact CB-CZ 4.43Å |
| 73 | E | 93.8 | Very high | 87.2 | Confident | 96 Ų | 96 | 40.8 Ų | 40.8 | 45% | 0.449 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -91.5 | -30.1 | 173.6 | -68.1 | 172.1 | -134.5 | 0 | 0 | 111.2 | V69 P70 L71 L95 | V69-E73 HydrophobicContact CG1-CB 3.89Å; P70-E73 WeakPolarHBondContact CD-OE1 3.34Å; P70-E73 PolarHBondContact O-N 2.68Å; L71-E73 PolarHBondContact O-N 3.37Å; E73-L95 WeakPolarHBondContact O-CD2 3.44Å |
| 74 | R | 94.9 | Very high | 88.1 | Confident | 10 Ų | 10 | 41.1 Ų | 41.1 | 4% | 0.038 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -76.1 | -32.8 | 174.2 | -59 | -175.4 | -125.7 | -176.1 | -18.5 | 113.3 | D56 R66 V69 P70 L71 V235 | D56-R74 WeakPolarHBondContact OD2-CD 3.31Å; D56-R74 IonicContact OD2-CZ 3.57Å; D56-R74 IonicContact OD2-NE 3.62Å; D56-R74 IonicContact OD2-NH1 2.81Å; D56-R74 PolarHBondContact OD2-NH1 2.86Å; R66-R74 PolarHBondContact O-NH2 2.9Å; V69-R74 HydrophobicContact CB-CG 4.44Å; V69-R74 HydrophobicContact CG1-CG 4Å; V69-R74 PolarHBondContact O-NE 2.89Å; V69-R74 PolarHBondContact O-NH2 3.32Å; P70-R74 PolarHBondContact O-N 2.81Å; L71-R74 HydrophobicContact CD1-CB 4.45Å; L71-R74 PolarHBondContact O-N 2.81Å; R74-V235 VanDerWaalsContact CZ-CG1 3.41Å |
| 75 | V | 97.7 | Very high | 89 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -127 | 78.5 | 178.5 | -170.1 | 0 | 0 | 0 | 0 | 108.7 | I40 L71 L101 K103 | I40-V75 HydrophobicContact CD1-CG1 3.86Å; L71-V75 HydrophobicContact CD1-CG2 3.87Å; L71-V75 HydrophobicContact CG-CG2 4.37Å; L71-V75 PolarHBondContact O-N 2.99Å; V75-L101 WeakPolarHBondContact CA-O 3.4Å; V75-L101 HydrophobicContact CB-CB 4.46Å; V75-L101 HydrophobicContact CG1-CB 4.08Å; V75-L101 HydrophobicContact CG2-CB 3.9Å; V75-L101 HydrophobicContact CG2-CD1 4.21Å; V75-K103 HydrophobicContact CG1-CB 4.06Å; V75-K103 HydrophobicContact CG1-CD 4.49Å; V75-K103 HydrophobicContact CG1-CG 4.38Å |
| 76 | P | 97.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -57.9 | 141.7 | -175.7 | -27.4 | 37.6 | 0 | 0 | 0 | 112.6 | Q72 L78 G88 L91 A92 L95 L101 K103 | Q72-P76 WeakPolarHBondContact O-CA 3.32Å; P76-L78 PolarHBondContact O-N 3.06Å; P76-G88 WeakPolarHBondContact CB-O 3.43Å; P76-L91 HydrophobicContact CB-CB 3.81Å; P76-L91 HydrophobicContact CG-CB 3.79Å; P76-A92 HydrophobicContact CB-CB 4.15Å; P76-A92 HydrophobicContact CG-CB 4.37Å; P76-L95 HydrophobicContact CG-CD1 3.81Å; P76-L95 HydrophobicContact CG-CD2 4.21Å; P76-L95 HydrophobicContact CG-CG 3.96Å; P76-L101 WeakPolarHBondContact CD-O 3.25Å; P76-K103 PolarHBondContact O-N 2.94Å | ||
| 77 | F | 98.1 | Very high | 91.3 | Very high | 21 Ų | 21 | 37.5 Ų | 37.5 | 9% | 0.092 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -87.6 | 94.6 | 176.6 | -172.5 | -170.3 | 0 | 0 | 0 | 110.3 | F21 E79 I80 G88 K103 H105 F166 | F21-F77 HydrophobicContact CD1-CE1 4.47Å; F21-F77 HydrophobicContact CD1-CZ 4.4Å; F21-F77 AromaticContact CE1-CE1 3.65Å; F21-F77 HydrophobicContact CE1-CE1 3.65Å; F21-F77 AromaticContact CE1-CZ 3.89Å; F21-F77 HydrophobicContact CE1-CZ 3.89Å; F21-F77 HydrophobicContact CZ-CE1 4.48Å; F77-E79 HydrophobicContact CD2-CG 4.45Å; F77-E79 HydrophobicContact CE2-CG 3.85Å; F77-E79 WeakPolarHBondContact CE2-OE1 3.43Å; F77-E79 WeakPolarHBondContact CE2-OE2 3.49Å; F77-E79 HydrophobicContact CZ-CG 4.12Å; F77-E79 PolarHBondContact O-N 2.66Å; F77-E79 VanDerWaalsContact O-N 3.11Å; F77-I80 HydrophobicContact CB-CB 4.35Å; F77-I80 HydrophobicContact CB-CG2 4.04Å; F77-I80 HydrophobicContact CD1-CB 3.93Å; F77-I80 HydrophobicContact CD1-CD1 4.38Å; F77-I80 HydrophobicContact CD1-CG2 4.49Å; F77-I80 HydrophobicContact CE1-CD1 4.38Å; F77-I80 HydrophobicContact CG-CB 4.26Å; F77-I80 HydrophobicContact CG-CG2 4.5Å; F77-I80 WeakPolarHBondContact O-CG2 3.5Å; F77-I80 PolarHBondContact O-N 3.49Å; F77-G88 VanDerWaalsContact O-CA 3.26Å; F77-G88 WeakPolarHBondContact O-CA 3.31Å; F77-K103 HydrophobicContact CB-CD 4.44Å; F77-K103 VanDerWaalsContact CB-CE 3.43Å; F77-K103 HydrophobicContact CB-CG 4.11Å; F77-K103 HydrophobicContact CD2-CG 4.1Å; F77-K103 HydrophobicContact CG-CG 4.36Å; F77-H105 HydrophobicContact CE2-CB 4.3Å; F77-H105 AromaticContact CE2-CD2 3.74Å; F77-H105 HydrophobicContact CZ-CB 4.31Å; F77-H105 AromaticContact CZ-CD2 3.35Å; F77-H105 WeakPolarHBondContact CZ-CD2 3.41Å; F77-F166 HydrophobicContact CZ-CE2 4.32Å; F77-F166 AromaticContact CZ-CZ 3.86Å; F77-F166 HydrophobicContact CZ-CZ 3.86Å |
| 78 | L | 98.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -42.2 | -54.4 | -164.9 | 179.6 | 61.7 | 0 | 0 | 0 | 114.7 | I28 F31 P76 I80 G88 K89 I102 K103 P112 F115 | I28-L78 HydrophobicContact CG2-CD2 4.48Å; I28-L78 HydrophobicContact CG2-CG 4.23Å; F31-L78 HydrophobicContact CD2-CD1 4.01Å; F31-L78 HydrophobicContact CE2-CD1 4.32Å; F31-L78 HydrophobicContact CG-CD1 4.12Å; P76-L78 PolarHBondContact O-N 3.06Å; L78-I80 PolarHBondContact O-N 2.89Å; L78-G88 CarbonylContact O-C 3.6Å; L78-K89 HydrophobicContact CD1-CB 4.24Å; L78-K89 HydrophobicContact CD1-CG 4.45Å; L78-K89 PolarHBondContact O-N 2.82Å; L78-I102 HydrophobicContact CB-CG2 3.91Å; L78-I102 HydrophobicContact CD1-CG2 4.47Å; L78-K103 PolarHBondContact N-O 2.91Å; L78-P112 HydrophobicContact CD2-CG 4Å; L78-F115 HydrophobicContact CD2-CE2 3.87Å; L78-F115 HydrophobicContact CD2-CZ 4.4Å |
| 79 | E | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -1.5 | -172.1 | 65.5 | -93.6 | -144.6 | 0 | 0 | 115.3 | F21 I28 F77 S81 T104 H105 L106 F166 | F21-E79 WeakPolarHBondContact CA-O 3.31Å; F21-E79 HydrophobicContact CD1-CG 3.93Å; I28-E79 HydrophobicContact CD1-CB 3.95Å; F77-E79 HydrophobicContact CD2-CG 4.45Å; F77-E79 HydrophobicContact CE2-CG 3.85Å; F77-E79 WeakPolarHBondContact CE2-OE1 3.43Å; F77-E79 WeakPolarHBondContact CE2-OE2 3.49Å; F77-E79 HydrophobicContact CZ-CG 4.12Å; F77-E79 PolarHBondContact O-N 2.66Å; F77-E79 VanDerWaalsContact O-N 3.11Å; E79-S81 PolarHBondContact O-N 2.86Å; E79-T104 VanDerWaalsContact CD-OG1 3.29Å; E79-T104 PolarHBondContact OE1-OG1 3.32Å; E79-T104 WeakPolarHBondContact OE2-CA 3.43Å; E79-T104 WeakPolarHBondContact OE2-CB 3.3Å; E79-T104 PolarHBondContact OE2-OG1 3.04Å; E79-H105 WeakPolarHBondContact OE1-CA 3.33Å; E79-H105 PolarHBondContact OE1-N 3.4Å; E79-L106 HydrophobicContact CB-CD1 4.3Å; E79-L106 HydrophobicContact CB-CD2 4.13Å; E79-L106 HydrophobicContact CB-CG 4.3Å; E79-L106 HydrophobicContact CG-CD2 4.05Å; E79-L106 HydrophobicContact CG-CG 4.22Å; E79-L106 PolarHBondContact OE1-N 2.8Å; E79-F166 HydrophobicContact CG-CE1 4.13Å; E79-F166 HydrophobicContact CG-CZ 4.19Å; E79-F166 VanDerWaalsContact OE1-CE1 3.29Å; E79-F166 WeakPolarHBondContact OE1-CE1 3.38Å |
| 80 | I | 96.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | trans | -72.5 | 130.6 | 179.5 | -162.7 | 86.7 | 0 | 0 | 0 | 111.8 | F21 F77 L78 E82 G88 V145 | F21-I80 HydrophobicContact CD1-CD1 4.1Å; F21-I80 HydrophobicContact CE1-CD1 3.41Å; F21-I80 VanDerWaalsContact CE1-CD1 3.41Å; F21-I80 HydrophobicContact CZ-CD1 3.98Å; F77-I80 HydrophobicContact CB-CB 4.35Å; F77-I80 HydrophobicContact CB-CG2 4.04Å; F77-I80 HydrophobicContact CD1-CB 3.93Å; F77-I80 HydrophobicContact CD1-CD1 4.38Å; F77-I80 HydrophobicContact CD1-CG2 4.49Å; F77-I80 HydrophobicContact CE1-CD1 4.38Å; F77-I80 HydrophobicContact CG-CB 4.26Å; F77-I80 HydrophobicContact CG-CG2 4.5Å; F77-I80 WeakPolarHBondContact O-CG2 3.5Å; F77-I80 PolarHBondContact O-N 3.49Å; L78-I80 PolarHBondContact O-N 2.89Å; I80-E82 HydrophobicContact CD1-CG 4.47Å; I80-E82 HydrophobicContact CG1-CB 4.36Å; I80-E82 HydrophobicContact CG1-CG 4.07Å; I80-G88 PolarHBondContact O-N 2.76Å; I80-V145 HydrophobicContact CD1-CG1 3.91Å | ||
| 81 | S | 94.6 | Very high | 93.6 | Very high | 17 Ų | 17 | 32.3 Ų | 32.3 | 12% | 0.119 | 17% | 0.174 | C | C | . | . | trans | -138.3 | 69.8 | 168.1 | -176.9 | 0 | 0 | 0 | 0 | 110 | Y20 E79 | Y20-S81 PolarHBondContact O-N 2.8Å; E79-S81 PolarHBondContact O-N 2.86Å | ||
| 82 | E | 90.1 | Very high | 93.8 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | trans | -99.8 | 152.9 | 171.8 | 69.7 | 163.4 | 178.1 | 0 | 0 | 111.5 | Y20 I80 S84 R85 V145 M243 | Y20-E82 HydrophobicContact CD1-CB 4.08Å; Y20-E82 HydrophobicContact CE1-CB 4.5Å; Y20-E82 HydrophobicContact CG-CB 4.21Å; I80-E82 HydrophobicContact CD1-CG 4.47Å; I80-E82 HydrophobicContact CG1-CB 4.36Å; I80-E82 HydrophobicContact CG1-CG 4.07Å; E82-S84 VanDerWaalsContact C-N 3.29Å; E82-S84 PolarHBondContact O-N 3.1Å; E82-S84 PolarHBondContact OE1-OG 3.3Å; E82-S84 VanDerWaalsContact OE1-OG 3.06Å; E82-S84 PolarHBondContact OE2-OG 2.91Å; E82-R85 HydrophobicContact CG-CG 3.7Å; E82-R85 VanDerWaalsContact OE1-CD 3.23Å; E82-R85 WeakPolarHBondContact OE1-CD 3.5Å; E82-R85 WeakPolarHBondContact OE1-CG 3.1Å; E82-R85 IonicContact OE1-CZ 3.61Å; E82-R85 IonicContact OE1-NE 3.49Å; E82-V145 WeakPolarHBondContact OE2-CG2 3.05Å; E82-M243 WeakPolarHBondContact OE2-CG 3.38Å | ||
| 83 | P | 83.2 | Confident | 94 | Very high | 109 Ų | 109 | 33.9 Ų | 33.9 | 71% | 0.708 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.6 | -176.2 | -24.2 | 34.1 | 0 | 0 | 0 | 115.6 | Y20 R85 | Y20-P83 HydrophobicContact CE1-CG 4.31Å; P83-R85 VanDerWaalsContact C-N 3.34Å; P83-R85 PolarHBondContact O-N 3.2Å |
| 84 | S | 81.6 | Confident | 94.1 | Very high | 57 Ų | 57 | 36.3 Ų | 36.3 | 40% | 0.399 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -0.3 | -171 | 46.9 | 0 | 0 | 0 | 0 | 115 | E82 M243 | E82-S84 VanDerWaalsContact C-N 3.29Å; E82-S84 PolarHBondContact O-N 3.1Å; E82-S84 PolarHBondContact OE1-OG 3.3Å; E82-S84 VanDerWaalsContact OE1-OG 3.06Å; E82-S84 PolarHBondContact OE2-OG 2.91Å; S84-M243 VanDerWaalsContact OG-CG 3.23Å; S84-M243 WeakPolarHBondContact OG-CG 3.29Å |
| 85 | R | 83.8 | Confident | 94.1 | Very high | 55 Ų | 55 | 36.6 Ų | 36.6 | 21% | 0.208 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -151.9 | 161.6 | 178.6 | 70.2 | -175.5 | -171.3 | -167.8 | 0 | 112.1 | E82 P83 | E82-R85 HydrophobicContact CG-CG 3.7Å; E82-R85 VanDerWaalsContact OE1-CD 3.23Å; E82-R85 WeakPolarHBondContact OE1-CD 3.5Å; E82-R85 WeakPolarHBondContact OE1-CG 3.1Å; E82-R85 IonicContact OE1-CZ 3.61Å; E82-R85 IonicContact OE1-NE 3.49Å; P83-R85 VanDerWaalsContact C-N 3.34Å; P83-R85 PolarHBondContact O-N 3.2Å |
| 86 | P | 90.4 | Very high | 93.8 | Very high | 82 Ų | 82 | 42.6 Ų | 42.6 | 53% | 0.532 | 24% | 0.235 | S | C | . | . | trans | -56.2 | 144.9 | 171.4 | -23.1 | 34.3 | 0 | 0 | 0 | 111.3 | L91 | P86-L91 HydrophobicContact CB-CD1 3.95Å; P86-L91 HydrophobicContact CB-CD2 3.77Å; P86-L91 HydrophobicContact CB-CG 3.72Å; P86-L91 HydrophobicContact CG-CD2 4.17Å | ||
| 87 | K | 94.9 | Very high | 93.7 | Very high | 79 Ų | 79 | 43.3 Ų | 43.3 | 34% | 0.343 | 24% | 0.24 | S | C | . | . | trans | -61 | 140.5 | 177.9 | -62.4 | 176.5 | 174.2 | -177.8 | 0 | 109.8 | N24 K89 D90 L91 | N24-K87 PolarHBondContact OD1-NZ 3.12Å; K87-K89 PolarHBondContact O-N 3.19Å; K87-D90 HydrophobicContact CB-CB 4.32Å; K87-D90 WeakPolarHBondContact CD-OD2 3.5Å; K87-D90 PolarHBondContact O-N 3.28Å; K87-D90 VanDerWaalsContact O-N 3.16Å; K87-L91 PolarHBondContact O-N 2.93Å | ||
| 88 | G | 96.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P76 F77 L78 I80 L91 A92 | P76-G88 WeakPolarHBondContact CB-O 3.43Å; F77-G88 VanDerWaalsContact O-CA 3.26Å; F77-G88 WeakPolarHBondContact O-CA 3.31Å; L78-G88 CarbonylContact O-C 3.6Å; I80-G88 PolarHBondContact O-N 2.76Å; G88-L91 PolarHBondContact O-N 2.93Å; G88-A92 WeakPolarHBondContact O-CB 3.23Å; G88-A92 PolarHBondContact O-N 3.47Å |
| 89 | K | 96.8 | Very high | 93.4 | Very high | 27 Ų | 27 | 46.3 Ų | 46.3 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.9 | -49.2 | 172.9 | -175.3 | -80.7 | -170.3 | 177.6 | 0 | 111.9 | N27 F31 L78 K87 L91 A92 D93 | N27-K89 WeakPolarHBondContact OD1-CD 3.05Å; N27-K89 WeakPolarHBondContact OD1-CE 3.37Å; N27-K89 PolarHBondContact OD1-NZ 2.69Å; F31-K89 HydrophobicContact CD2-CG 3.94Å; L78-K89 HydrophobicContact CD1-CB 4.24Å; L78-K89 HydrophobicContact CD1-CG 4.45Å; L78-K89 PolarHBondContact O-N 2.82Å; K87-K89 PolarHBondContact O-N 3.19Å; K89-L91 VanDerWaalsContact C-N 3.31Å; K89-L91 PolarHBondContact O-N 3Å; K89-A92 WeakPolarHBondContact O-CB 3.27Å; K89-A92 PolarHBondContact O-N 2.96Å; K89-A92 VanDerWaalsContact O-N 3.1Å; K89-D93 WeakPolarHBondContact CD-OD2 3.48Å; K89-D93 WeakPolarHBondContact CE-OD2 3.49Å; K89-D93 IonicContact NZ-OD2 2.68Å; K89-D93 PolarHBondContact NZ-OD2 3.22Å; K89-D93 PolarHBondContact O-N 3.47Å |
| 90 | D | 95.9 | Very high | 93.4 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | -176.3 | -59.5 | -15.5 | 0 | 0 | 0 | 110.9 | N27 K87 D93 Q94 | N27-D90 PolarHBondContact ND2-OD1 3.09Å; K87-D90 HydrophobicContact CB-CB 4.32Å; K87-D90 WeakPolarHBondContact CD-OD2 3.5Å; K87-D90 PolarHBondContact O-N 3.28Å; K87-D90 VanDerWaalsContact O-N 3.16Å; D90-D93 PolarHBondContact O-N 3.45Å; D90-Q94 VanDerWaalsContact O-CG 3.27Å; D90-Q94 WeakPolarHBondContact O-CG 3.34Å; D90-Q94 PolarHBondContact O-N 2.92Å |
| 91 | L | 96.1 | Very high | 93.5 | Very high | 37 Ų | 37 | 46.2 Ų | 46.2 | 19% | 0.194 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 170.8 | -72 | 173.8 | 0 | 0 | 0 | 112.1 | P76 P86 K87 G88 K89 D93 Q94 L95 | P76-L91 HydrophobicContact CB-CB 3.81Å; P76-L91 HydrophobicContact CG-CB 3.79Å; P86-L91 HydrophobicContact CB-CD1 3.95Å; P86-L91 HydrophobicContact CB-CD2 3.77Å; P86-L91 HydrophobicContact CB-CG 3.72Å; P86-L91 HydrophobicContact CG-CD2 4.17Å; K87-L91 PolarHBondContact O-N 2.93Å; G88-L91 PolarHBondContact O-N 2.93Å; K89-L91 VanDerWaalsContact C-N 3.31Å; K89-L91 PolarHBondContact O-N 3Å; L91-D93 VanDerWaalsContact C-N 3.29Å; L91-D93 PolarHBondContact O-N 2.73Å; L91-Q94 PolarHBondContact O-N 3.46Å; L91-L95 PolarHBondContact O-N 3.4Å; L91-L95 VanDerWaalsContact O-N 3.08Å |
| 92 | A | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.2 | -36 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F31 P76 G88 K89 R100 I102 | F31-A92 HydrophobicContact CE2-CB 3.86Å; F31-A92 HydrophobicContact CZ-CB 4.25Å; P76-A92 HydrophobicContact CB-CB 4.15Å; P76-A92 HydrophobicContact CG-CB 4.37Å; G88-A92 WeakPolarHBondContact O-CB 3.23Å; G88-A92 PolarHBondContact O-N 3.47Å; K89-A92 WeakPolarHBondContact O-CB 3.27Å; K89-A92 PolarHBondContact O-N 2.96Å; K89-A92 VanDerWaalsContact O-N 3.1Å; A92-R100 WeakPolarHBondContact O-CD 3.49Å; A92-R100 PolarHBondContact O-NH1 2.89Å; A92-I102 HydrophobicContact CB-CD1 4.27Å; A92-I102 HydrophobicContact CB-CG1 4.22Å |
| 93 | D | 96.5 | Very high | 94.1 | Very high | 55 Ų | 55 | 45.7 Ų | 45.7 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.1 | -36.1 | 175.3 | -76.1 | -16.2 | 0 | 0 | 0 | 112.8 | F31 K89 D90 L91 L95 R100 | F31-D93 VanDerWaalsContact CE2-OD1 3.27Å; F31-D93 WeakPolarHBondContact CE2-OD1 3.49Å; K89-D93 WeakPolarHBondContact CD-OD2 3.48Å; K89-D93 WeakPolarHBondContact CE-OD2 3.49Å; K89-D93 IonicContact NZ-OD2 2.68Å; K89-D93 PolarHBondContact NZ-OD2 3.22Å; K89-D93 PolarHBondContact O-N 3.47Å; D90-D93 PolarHBondContact O-N 3.45Å; L91-D93 VanDerWaalsContact C-N 3.29Å; L91-D93 PolarHBondContact O-N 2.73Å; D93-L95 VanDerWaalsContact C-N 3.35Å; D93-R100 IonicContact OD1-NH1 2.71Å |
| 94 | Q | 95.9 | Very high | 94.9 | Very high | 147 Ų | 147 | 40.6 Ų | 40.6 | 69% | 0.687 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -84.4 | -5.9 | -178 | -67 | 170.9 | 29.3 | 0 | 0 | 113.7 | D90 L91 P96 | D90-Q94 VanDerWaalsContact O-CG 3.27Å; D90-Q94 WeakPolarHBondContact O-CG 3.34Å; D90-Q94 PolarHBondContact O-N 2.92Å; L91-Q94 PolarHBondContact O-N 3.46Å; Q94-P96 WeakPolarHBondContact O-CD 3.49Å |
| 95 | L | 95.4 | Very high | 95.7 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | trans | -59.1 | 123 | 178.3 | -82 | -177.1 | 0 | 0 | 0 | 111.1 | E73 P76 L91 D93 T97 R100 | E73-L95 WeakPolarHBondContact O-CD2 3.44Å; P76-L95 HydrophobicContact CG-CD1 3.81Å; P76-L95 HydrophobicContact CG-CD2 4.21Å; P76-L95 HydrophobicContact CG-CG 3.96Å; L91-L95 PolarHBondContact O-N 3.4Å; L91-L95 VanDerWaalsContact O-N 3.08Å; D93-L95 VanDerWaalsContact C-N 3.35Å; L95-T97 VanDerWaalsContact C-N 3.27Å; L95-T97 PolarHBondContact O-N 3.45Å; L95-R100 HydrophobicContact CB-CG 4.06Å; L95-R100 HydrophobicContact CD1-CB 3.97Å; L95-R100 HydrophobicContact CD1-CG 4.3Å | ||
| 96 | P | 92.3 | Very high | 96.4 | Very high | 125 Ų | 125 | 36.5 Ų | 36.5 | 81% | 0.812 | 21% | 0.206 | S | C | * | . | trans | -81.8 | -7.1 | -179.2 | 33.9 | -36.4 | 0 | 0 | 0 | 112.9 | Q94 | Q94-P96 WeakPolarHBondContact O-CD 3.49Š| ||
| 97 | T | 94.1 | Very high | 96.8 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | trans | -81.6 | 150.2 | -175.8 | 59.9 | 0 | 0 | 0 | 0 | 112.3 | F60 L95 P99 R100 | F60-T97 HydrophobicContact CD1-CG2 4.38Å; F60-T97 HydrophobicContact CE1-CG2 3.9Å; F60-T97 HydrophobicContact CE2-CG2 4.42Å; F60-T97 HydrophobicContact CZ-CG2 3.93Å; L95-T97 VanDerWaalsContact C-N 3.27Å; L95-T97 PolarHBondContact O-N 3.45Å; T97-P99 CarbonylContact C-O 3.55Å; T97-P99 WeakPolarHBondContact CB-O 3.29Å; T97-P99 PolarHBondContact OG1-O 2.92Å; T97-P99 VanDerWaalsContact OG1-O 3.06Å; T97-R100 WeakPolarHBondContact O-CG 3.17Å | ||
| 98 | A | 94.1 | Very high | 96.9 | Very high | 74 Ų | 74 | 30.4 Ų | 30.4 | 61% | 0.612 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -127.7 | 117.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | D36 | D36-A98 WeakPolarHBondContact OD2-CB 3.46Š|
| 99 | P | 97 | Very high | 97 | Very high | 10 Ų | 10 | 36.6 Ų | 36.6 | 7% | 0.065 | 20% | 0.203 | C | C | . | . | S | Bend | cis | -70.6 | 164.6 | -1.3 | 33.5 | -37.6 | 0 | 0 | 0 | 113.1 | D36 I38 Y59 F60 T97 | D36-P99 HydrophobicContact CB-CB 4.36Å; D36-P99 WeakPolarHBondContact O-CB 3.45Å; D36-P99 WeakPolarHBondContact OD2-CA 3.23Å; I38-P99 HydrophobicContact CD1-CB 4.32Å; I38-P99 HydrophobicContact CD1-CG 3.98Å; I38-P99 HydrophobicContact CG1-CB 4.35Å; Y59-P99 VanDerWaalsContact CD1-CD 3.43Å; Y59-P99 HydrophobicContact CD1-CG 3.55Å; Y59-P99 HydrophobicContact CD2-CG 4.29Å; Y59-P99 HydrophobicContact CE1-CG 3.45Å; Y59-P99 VanDerWaalsContact CE1-CG 3.45Å; Y59-P99 HydrophobicContact CE2-CG 4.21Å; Y59-P99 HydrophobicContact CG-CG 3.99Å; F60-P99 WeakPolarHBondContact CZ-O 3.28Å; T97-P99 CarbonylContact C-O 3.55Å; T97-P99 WeakPolarHBondContact CB-O 3.29Å; T97-P99 PolarHBondContact OG1-O 2.92Å; T97-P99 VanDerWaalsContact OG1-O 3.06Å |
| 100 | R | 98.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.011 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -85.5 | 132.7 | 163 | -55.2 | -176.4 | -72 | -177.2 | -0.2 | 109.4 | K32 D37 I38 A92 D93 L95 T97 I102 | K32-R100 PolarHBondContact O-NH2 3.3Å; D37-R100 VanDerWaalsContact OD1-CB 3.27Å; D37-R100 WeakPolarHBondContact OD1-CB 3.33Å; D37-R100 WeakPolarHBondContact OD1-CG 3.36Å; D37-R100 IonicContact OD1-CZ 2.8Å; D37-R100 IonicContact OD1-NE 2.86Å; D37-R100 PolarHBondContact OD1-NE 3.18Å; D37-R100 IonicContact OD1-NH2 3.94Å; D37-R100 IonicContact OD2-CZ 3.43Å; D37-R100 IonicContact OD2-NE 3.22Å; D37-R100 PolarHBondContact OD2-NE 3.03Å; D37-R100 IonicContact OD2-NH2 2.76Å; D37-R100 PolarHBondContact OD2-NH2 3.05Å; I38-R100 PolarHBondContact N-O 3.4Å; A92-R100 WeakPolarHBondContact O-CD 3.49Å; A92-R100 PolarHBondContact O-NH1 2.89Å; D93-R100 IonicContact OD1-NH1 2.71Å; L95-R100 HydrophobicContact CB-CG 4.06Å; L95-R100 HydrophobicContact CD1-CB 3.97Å; L95-R100 HydrophobicContact CD1-CG 4.3Å; T97-R100 WeakPolarHBondContact O-CG 3.17Å; R100-I102 HydrophobicContact CB-CD1 4.2Å; R100-I102 HydrophobicContact CB-CG1 4.18Å |
| 101 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 120.4 | 169.5 | -58 | -176.9 | 0 | 0 | 0 | 108 | I38 L55 D56 Y59 F60 V75 P76 | I38-L101 HydrophobicContact CB-CD2 3.88Å; I38-L101 HydrophobicContact CD1-CD2 3.88Å; I38-L101 HydrophobicContact CG1-CD2 4.34Å; I38-L101 HydrophobicContact CG2-CD2 4.38Å; L55-L101 HydrophobicContact CB-CD1 3.84Å; L55-L101 HydrophobicContact CB-CD2 4.25Å; D56-L101 HydrophobicContact CB-CD1 4.09Å; Y59-L101 HydrophobicContact CD2-CD2 4.34Å; F60-L101 HydrophobicContact CE2-CD1 3.88Å; F60-L101 HydrophobicContact CE2-CG 4.13Å; V75-L101 WeakPolarHBondContact CA-O 3.4Å; V75-L101 HydrophobicContact CB-CB 4.46Å; V75-L101 HydrophobicContact CG1-CB 4.08Å; V75-L101 HydrophobicContact CG2-CB 3.9Å; V75-L101 HydrophobicContact CG2-CD1 4.21Å; P76-L101 WeakPolarHBondContact CD-O 3.25Å |
| 102 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.6 | -175.3 | -57.3 | 165.1 | 0 | 0 | 0 | 107.3 | F31 I38 L39 I40 L78 A92 R100 F115 | F31-I102 HydrophobicContact CE1-CD1 3.93Å; F31-I102 HydrophobicContact CZ-CD1 3.5Å; F31-I102 VanDerWaalsContact CZ-CD1 3.5Å; I38-I102 PolarHBondContact O-N 2.63Å; L39-I102 CarbonylContact C-O 3.55Å; L39-I102 WeakPolarHBondContact CA-O 3.34Å; L39-I102 HydrophobicContact CD1-CB 4.39Å; L39-I102 HydrophobicContact CD1-CG2 4.2Å; I40-I102 PolarHBondContact N-O 3.05Å; L78-I102 HydrophobicContact CB-CG2 3.91Å; L78-I102 HydrophobicContact CD1-CG2 4.47Å; A92-I102 HydrophobicContact CB-CD1 4.27Å; A92-I102 HydrophobicContact CB-CG1 4.22Å; R100-I102 HydrophobicContact CB-CD1 4.2Å; R100-I102 HydrophobicContact CB-CG1 4.18Å; I102-F115 HydrophobicContact CD1-CE1 4.2Å; I102-F115 HydrophobicContact CD1-CZ 4.05Å; I102-F115 HydrophobicContact CG2-CZ 4.5Å |
| 103 | K | 98.8 | Very high | 97.4 | Very high | 15 Ų | 15 | 39 Ų | 39 | 7% | 0.065 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 151.3 | 176.8 | 73.5 | -176 | 177.6 | -166.7 | 0 | 112.2 | I40 T48 V75 P76 F77 L78 | I40-K103 HydrophobicContact CB-CB 4.2Å; I40-K103 CarbonylContact O-C 3.54Å; I40-K103 VanDerWaalsContact O-CA 3.26Å; I40-K103 WeakPolarHBondContact O-CA 3.01Å; T48-K103 HydrophobicContact CG2-CB 4.08Å; T48-K103 HydrophobicContact CG2-CD 4.15Å; V75-K103 HydrophobicContact CG1-CB 4.06Å; V75-K103 HydrophobicContact CG1-CD 4.49Å; V75-K103 HydrophobicContact CG1-CG 4.38Å; P76-K103 PolarHBondContact O-N 2.94Å; F77-K103 HydrophobicContact CB-CD 4.44Å; F77-K103 VanDerWaalsContact CB-CE 3.43Å; F77-K103 HydrophobicContact CB-CG 4.11Å; F77-K103 HydrophobicContact CD2-CG 4.1Å; F77-K103 HydrophobicContact CG-CG 4.36Å; L78-K103 PolarHBondContact N-O 2.91Å |
| 104 | T | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 155.8 | 176.3 | -167.7 | 0 | 0 | 0 | 0 | 111.9 | L39 I40 A41 T42 E79 L106 | L39-T104 HydrophobicContact CD1-CG2 3.69Å; L39-T104 HydrophobicContact CD2-CG2 4.1Å; L39-T104 HydrophobicContact CG-CG2 3.96Å; I40-T104 PolarHBondContact O-N 3.35Å; A41-T104 WeakPolarHBondContact CA-O 3.26Å; A41-T104 HydrophobicContact CB-CG2 3.95Å; T42-T104 PolarHBondContact N-O 2.85Å; E79-T104 VanDerWaalsContact CD-OG1 3.29Å; E79-T104 PolarHBondContact OE1-OG1 3.32Å; E79-T104 WeakPolarHBondContact OE2-CA 3.43Å; E79-T104 WeakPolarHBondContact OE2-CB 3.3Å; E79-T104 PolarHBondContact OE2-OG1 3.04Å; T104-L106 WeakPolarHBondContact OG1-CB 3.43Å; T104-L106 VanDerWaalsContact OG1-CG 3.28Å; T104-L106 WeakPolarHBondContact OG1-CG 3.43Å; T104-L106 PolarHBondContact OG1-N 3.44Å; T104-L106 VanDerWaalsContact OG1-N 3.11Å |
| 105 | H | 98.8 | Very high | 97.6 | Very high | 26 Ų | 26 | 29.9 Ų | 29.9 | 12% | 0.12 | 17% | 0.166 | C | C | . | . | trans | -116.7 | 10.3 | 167.9 | -66.2 | -43.9 | 0 | 0 | 0 | 111.6 | T42 P44 T48 F77 E79 F166 H172 | T42-H105 WeakPolarHBondContact O-CA 3.11Å; T42-H105 PolarHBondContact O-ND1 3.09Å; T42-H105 PolarHBondContact OG1-CE1 2.98Å; T42-H105 PolarHBondContact OG1-ND1 3.35Å; T42-H105 VanDerWaalsContact OG1-ND1 3.12Å; P44-H105 HydrophobicContact CG-CB 4.25Å; T48-H105 PolarHBondContact OG1-CE1 3.42Å; F77-H105 HydrophobicContact CE2-CB 4.3Å; F77-H105 AromaticContact CE2-CD2 3.74Å; F77-H105 HydrophobicContact CZ-CB 4.31Å; F77-H105 AromaticContact CZ-CD2 3.35Å; F77-H105 WeakPolarHBondContact CZ-CD2 3.41Å; E79-H105 WeakPolarHBondContact OE1-CA 3.33Å; E79-H105 PolarHBondContact OE1-N 3.4Å; H105-F166 HydrophobicContact CB-CD1 3.76Å; H105-F166 HydrophobicContact CB-CD2 3.75Å; H105-F166 HydrophobicContact CB-CE1 3.63Å; H105-F166 HydrophobicContact CB-CE2 3.61Å; H105-F166 HydrophobicContact CB-CG 3.82Å; H105-F166 HydrophobicContact CB-CZ 3.56Å; H105-F166 WeakPolarHBondContact O-CD1 3.3Å; H105-H172 PolarHBondContact O-NE2 3.36Å; H105-H172 VanDerWaalsContact O-NE2 3.1Å | ||
| 106 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -65.1 | 135.1 | 178.4 | -65.3 | 176.6 | 0 | 0 | 0 | 110.7 | M17 W25 I28 E79 T104 F110 V111 F166 W176 | M17-L106 HydrophobicContact CE-CD2 4.18Å; W25-L106 HydrophobicContact CH2-CD2 4.44Å; W25-L106 HydrophobicContact CZ3-CD1 4.38Å; W25-L106 HydrophobicContact CZ3-CD2 4.06Å; I28-L106 HydrophobicContact CG2-CD1 4.46Å; E79-L106 HydrophobicContact CB-CD1 4.3Å; E79-L106 HydrophobicContact CB-CD2 4.13Å; E79-L106 HydrophobicContact CB-CG 4.3Å; E79-L106 HydrophobicContact CG-CD2 4.05Å; E79-L106 HydrophobicContact CG-CG 4.22Å; E79-L106 PolarHBondContact OE1-N 2.8Å; T104-L106 WeakPolarHBondContact OG1-CB 3.43Å; T104-L106 VanDerWaalsContact OG1-CG 3.28Å; T104-L106 WeakPolarHBondContact OG1-CG 3.43Å; T104-L106 PolarHBondContact OG1-N 3.44Å; T104-L106 VanDerWaalsContact OG1-N 3.11Å; L106-F110 HydrophobicContact CB-CB 3.92Å; L106-F110 HydrophobicContact CD1-CB 4.38Å; L106-F110 WeakPolarHBondContact CD1-O 3.29Å; L106-F110 HydrophobicContact CD2-CB 4.12Å; L106-F110 HydrophobicContact CD2-CD2 4.37Å; L106-F110 HydrophobicContact CG-CB 4.34Å; L106-V111 HydrophobicContact CB-CG2 4.47Å; L106-F166 HydrophobicContact CD2-CE1 4.22Å; L106-W176 PolarHBondContact O-NE1 3.41Å | ||
| 107 | P | 98.5 | Very high | 98 | Very high | 12 Ų | 12 | 32 Ų | 32 | 8% | 0.078 | 16% | 0.163 | C | C | . | . | trans | -55.1 | 155.5 | 162.4 | -23.1 | 32.8 | 0 | 0 | 0 | 111 | V15 Q109 F110 V111 | V15-P107 HydrophobicContact CG1-CG 4.2Å; V15-P107 HydrophobicContact CG2-CG 4.25Å; P107-Q109 HydrophobicContact CB-CG 4.23Å; P107-Q109 PolarHBondContact O-N 2.86Å; P107-Q109 VanDerWaalsContact O-N 3.09Å; P107-F110 HydrophobicContact CG-CD2 4.33Å; P107-F110 WeakPolarHBondContact O-CB 3.47Å; P107-F110 PolarHBondContact O-N 3.46Å; P107-V111 PolarHBondContact O-N 3.26Å | ||
| 108 | V | 98.3 | Very high | 98.1 | Very high | 22 Ų | 22 | 35.1 Ų | 35.1 | 13% | 0.133 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -49.2 | -43.9 | -176.5 | 174.8 | 0 | 0 | 0 | 0 | 112.6 | F110 V111 W116 W176 Q179 | V108-F110 PolarHBondContact O-N 3.45Å; V108-V111 PolarHBondContact O-N 3.41Å; V108-W116 HydrophobicContact CG1-CH2 4.31Å; V108-W116 HydrophobicContact CG1-CZ2 4.04Å; V108-W176 HydrophobicContact CG2-CB 4.26Å; V108-W176 HydrophobicContact CG2-CD2 3.46Å; V108-W176 VanDerWaalsContact CG2-CD2 3.46Å; V108-W176 HydrophobicContact CG2-CE3 3.86Å; V108-W176 HydrophobicContact CG2-CG 3.61Å; V108-W176 HydrophobicContact CG2-CZ2 4.26Å; V108-W176 HydrophobicContact CG2-CZ3 4.39Å; V108-Q179 HydrophobicContact CG1-CB 4.36Å; V108-Q179 HydrophobicContact CG1-CG 4.18Å; V108-Q179 HydrophobicContact CG2-CB 4.2Å |
| 109 | Q | 97.6 | Very high | 98.3 | Very high | 131 Ų | 131 | 38.4 Ų | 38.4 | 61% | 0.612 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -60.7 | -17.2 | -179.1 | 64.9 | -178.7 | 27.5 | 0 | 0 | 114.7 | P107 | P107-Q109 HydrophobicContact CB-CG 4.23Å; P107-Q109 PolarHBondContact O-N 2.86Å; P107-Q109 VanDerWaalsContact O-N 3.09Å |
| 110 | F | 98.6 | Very high | 98.3 | Very high | 12 Ų | 12 | 38 Ų | 38 | 5% | 0.053 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -107 | -11.7 | -175 | -79.3 | -0.3 | 0 | 0 | 0 | 113.4 | F12 H13 V15 W25 Q29 L106 P107 V108 | F12-F110 AromaticContact CD1-CE2 3.99Å; F12-F110 HydrophobicContact CD1-CE2 3.99Å; F12-F110 HydrophobicContact CD1-CZ 4.08Å; F12-F110 HydrophobicContact CE1-CE2 4.45Å; F12-F110 HydrophobicContact CE1-CZ 4.46Å; F12-F110 WeakPolarHBondContact O-CZ 3.41Å; H13-F110 HydrophobicContact CB-CE1 4.02Å; H13-F110 HydrophobicContact CB-CZ 3.9Å; V15-F110 HydrophobicContact CB-CE2 3.65Å; V15-F110 HydrophobicContact CB-CZ 4.04Å; V15-F110 HydrophobicContact CG1-CE2 4.16Å; V15-F110 HydrophobicContact CG2-CD2 4.47Å; V15-F110 HydrophobicContact CG2-CE2 3.52Å; V15-F110 HydrophobicContact CG2-CZ 3.65Å; W25-F110 HydrophobicContact CH2-CB 3.68Å; W25-F110 HydrophobicContact CH2-CD1 4.07Å; W25-F110 HydrophobicContact CH2-CD2 4.07Å; W25-F110 AromaticContact CH2-CG 3.66Å; W25-F110 HydrophobicContact CH2-CG 3.66Å; W25-F110 HydrophobicContact CZ2-CB 4.41Å; W25-F110 HydrophobicContact CZ2-CD1 4.09Å; W25-F110 HydrophobicContact CZ2-CG 4.16Å; Q29-F110 PolarHBondContact NE2-O 3.31Å; L106-F110 HydrophobicContact CB-CB 3.92Å; L106-F110 HydrophobicContact CD1-CB 4.38Å; L106-F110 WeakPolarHBondContact CD1-O 3.29Å; L106-F110 HydrophobicContact CD2-CB 4.12Å; L106-F110 HydrophobicContact CD2-CD2 4.37Å; L106-F110 HydrophobicContact CG-CB 4.34Å; P107-F110 HydrophobicContact CG-CD2 4.33Å; P107-F110 WeakPolarHBondContact O-CB 3.47Å; P107-F110 PolarHBondContact O-N 3.46Å; V108-F110 PolarHBondContact O-N 3.45Å |
| 111 | V | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -62.3 | 128.9 | 176.5 | 177 | 0 | 0 | 0 | 0 | 109.6 | L39 L106 P107 V108 K113 F115 W116 W176 | L39-V111 HydrophobicContact CD2-CG1 3.75Å; L106-V111 HydrophobicContact CB-CG2 4.47Å; P107-V111 PolarHBondContact O-N 3.26Å; V108-V111 PolarHBondContact O-N 3.41Å; V111-K113 PolarHBondContact O-N 3.26Å; V111-F115 HydrophobicContact CG1-CB 4.18Å; V111-F115 HydrophobicContact CG1-CD2 3.95Å; V111-F115 HydrophobicContact CG1-CG 4.39Å; V111-W116 HydrophobicContact CB-CZ2 3.68Å; V111-W116 HydrophobicContact CG1-CZ2 3.73Å; V111-W116 HydrophobicContact CG2-CZ2 4.04Å; V111-W176 HydrophobicContact CG2-CH2 3.79Å; V111-W176 HydrophobicContact CG2-CZ2 3.64Å |
| 112 | P | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -53.7 | 135.4 | -179.7 | -28.8 | 35.8 | 0 | 0 | 0 | 112.6 | I28 F31 L78 S114 F115 | I28-P112 HydrophobicContact CG2-CG 4.2Å; I28-P112 VanDerWaalsContact O-CG 3.3Å; I28-P112 WeakPolarHBondContact O-CG 3.3Å; F31-P112 HydrophobicContact CB-CB 4.29Å; F31-P112 HydrophobicContact CB-CG 4.3Å; L78-P112 HydrophobicContact CD2-CG 4Å; P112-S114 PolarHBondContact O-N 3.09Å; P112-F115 HydrophobicContact CB-CD2 4.11Å; P112-F115 HydrophobicContact CB-CE2 4.37Å; P112-F115 HydrophobicContact CG-CD2 4.31Å; P112-F115 HydrophobicContact CG-CE2 4.21Å; P112-F115 PolarHBondContact O-N 2.98Å; P112-F115 VanDerWaalsContact O-N 3.12Å | ||
| 113 | K | 98.3 | Very high | 98.4 | Very high | 149 Ų | 149 | 40.6 Ų | 40.6 | 65% | 0.648 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -55.4 | -31.9 | -174 | -68 | -177.1 | -179.8 | 178 | 0 | 113.7 | V111 F115 W116 E117 | V111-K113 PolarHBondContact O-N 3.26Å; K113-F115 VanDerWaalsContact C-N 3.25Å; K113-F115 PolarHBondContact O-N 2.93Å; K113-W116 WeakPolarHBondContact O-CB 3.4Å; K113-W116 PolarHBondContact O-N 3.33Å; K113-E117 WeakPolarHBondContact O-CG 3.34Å; K113-E117 PolarHBondContact O-N 3.27Å |
| 114 | S | 98.5 | Very high | 98.4 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 6% | 0.063 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.2 | -31.3 | -178.8 | 62.9 | 0 | 0 | 0 | 0 | 113.6 | F31 A33 P112 W116 E117 Q118 | F31-S114 VanDerWaalsContact O-CB 3.28Å; F31-S114 WeakPolarHBondContact O-CB 3.27Å; F31-S114 PolarHBondContact O-OG 2.81Å; A33-S114 PolarHBondContact N-OG 2.83Å; P112-S114 PolarHBondContact O-N 3.09Å; S114-W116 VanDerWaalsContact C-N 3.33Å; S114-W116 PolarHBondContact O-N 3.23Å; S114-E117 PolarHBondContact O-N 3.1Å; S114-Q118 VanDerWaalsContact O-CB 3.28Å; S114-Q118 WeakPolarHBondContact O-CB 3.44Å; S114-Q118 WeakPolarHBondContact O-CG 3.41Å; S114-Q118 PolarHBondContact O-N 2.91Å |
| 115 | F | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 175.4 | -75.4 | -72.5 | 0 | 0 | 0 | 112 | F31 A33 D37 L39 L78 I102 V111 P112 K113 R119 S120 | F31-F115 HydrophobicContact CD1-CD2 4.43Å; F31-F115 AromaticContact CD1-CE2 3.59Å; F31-F115 HydrophobicContact CD1-CE2 3.59Å; F31-F115 AromaticContact CD1-CZ 3.65Å; F31-F115 HydrophobicContact CD1-CZ 3.65Å; F31-F115 AromaticContact CE1-CE1 3.94Å; F31-F115 HydrophobicContact CE1-CE1 3.94Å; F31-F115 AromaticContact CE1-CE2 3.79Å; F31-F115 HydrophobicContact CE1-CE2 3.79Å; F31-F115 AromaticContact CE1-CZ 3.3Å; F31-F115 HydrophobicContact CE1-CZ 3.3Å; F31-F115 HydrophobicContact CZ-CZ 4.27Å; A33-F115 HydrophobicContact CB-CD1 3.7Å; A33-F115 HydrophobicContact CB-CE1 3.99Å; A33-F115 HydrophobicContact CB-CG 4.03Å; D37-F115 HydrophobicContact CB-CE1 4.37Å; L39-F115 HydrophobicContact CB-CD1 4.18Å; L39-F115 HydrophobicContact CB-CE1 4.13Å; L39-F115 HydrophobicContact CD1-CE1 4.12Å; L39-F115 HydrophobicContact CD1-CE2 4.19Å; L39-F115 HydrophobicContact CD1-CZ 3.85Å; L39-F115 HydrophobicContact CD2-CD1 4.33Å; L39-F115 HydrophobicContact CD2-CD2 4.22Å; L39-F115 HydrophobicContact CD2-CE2 4.46Å; L39-F115 HydrophobicContact CD2-CG 4.15Å; L78-F115 HydrophobicContact CD2-CE2 3.87Å; L78-F115 HydrophobicContact CD2-CZ 4.4Å; I102-F115 HydrophobicContact CD1-CE1 4.2Å; I102-F115 HydrophobicContact CD1-CZ 4.05Å; I102-F115 HydrophobicContact CG2-CZ 4.5Å; V111-F115 HydrophobicContact CG1-CB 4.18Å; V111-F115 HydrophobicContact CG1-CD2 3.95Å; V111-F115 HydrophobicContact CG1-CG 4.39Å; P112-F115 HydrophobicContact CB-CD2 4.11Å; P112-F115 HydrophobicContact CB-CE2 4.37Å; P112-F115 HydrophobicContact CG-CD2 4.31Å; P112-F115 HydrophobicContact CG-CE2 4.21Å; P112-F115 PolarHBondContact O-N 2.98Å; P112-F115 VanDerWaalsContact O-N 3.12Å; K113-F115 VanDerWaalsContact C-N 3.25Å; K113-F115 PolarHBondContact O-N 2.93Å; F115-R119 PolarHBondContact O-N 2.86Å; F115-S120 WeakPolarHBondContact O-CB 3.35Å; F115-S120 PolarHBondContact O-N 3.3Å; F115-S120 PolarHBondContact O-OG 2.91Å |
| 116 | W | 98 | Very high | 98.4 | Very high | 53 Ų | 53 | 38.6 Ų | 38.6 | 20% | 0.201 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -72.4 | -44.1 | 177.7 | -47.4 | 118.1 | 0 | 0 | 0 | 111.1 | V108 V111 K113 S114 Q118 R119 I122 W176 Q179 Y183 | V108-W116 HydrophobicContact CG1-CH2 4.31Å; V108-W116 HydrophobicContact CG1-CZ2 4.04Å; V111-W116 HydrophobicContact CB-CZ2 3.68Å; V111-W116 HydrophobicContact CG1-CZ2 3.73Å; V111-W116 HydrophobicContact CG2-CZ2 4.04Å; K113-W116 WeakPolarHBondContact O-CB 3.4Å; K113-W116 PolarHBondContact O-N 3.33Å; S114-W116 VanDerWaalsContact C-N 3.33Å; S114-W116 PolarHBondContact O-N 3.23Å; W116-Q118 PolarHBondContact O-N 3.4Å; W116-R119 PolarHBondContact O-N 3.16Å; W116-R119 VanDerWaalsContact O-N 3.11Å; W116-I122 HydrophobicContact CE3-CD1 3.94Å; W116-I122 HydrophobicContact CH2-CD1 3.57Å; W116-I122 HydrophobicContact CZ3-CD1 3.23Å; W116-W176 HydrophobicContact CH2-CH2 4.14Å; W116-W176 AromaticContact CH2-CZ3 3.95Å; W116-W176 HydrophobicContact CH2-CZ3 3.95Å; W116-Q179 HydrophobicContact CH2-CG 3.83Å; W116-Q179 HydrophobicContact CZ3-CG 3.91Å; W116-Y183 HydrophobicContact CE3-CD1 4.16Å; W116-Y183 HydrophobicContact CE3-CD2 4.22Å; W116-Y183 HydrophobicContact CE3-CE1 4.09Å; W116-Y183 HydrophobicContact CE3-CE2 4.1Å; W116-Y183 HydrophobicContact CE3-CG 4.26Å; W116-Y183 AromaticContact CZ3-CD1 3.82Å; W116-Y183 HydrophobicContact CZ3-CD1 3.82Å; W116-Y183 HydrophobicContact CZ3-CE1 4.01Å; W116-Y183 HydrophobicContact CZ3-CG 4.14Å |
| 117 | E | 97.8 | Very high | 98.4 | Very high | 135 Ų | 135 | 39.2 Ų | 39.2 | 63% | 0.631 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -61.5 | -41.5 | 179 | -68.7 | 166.3 | -179.8 | 0 | 0 | 112.2 | K113 S114 R119 | K113-E117 WeakPolarHBondContact O-CG 3.34Å; K113-E117 PolarHBondContact O-N 3.27Å; S114-E117 PolarHBondContact O-N 3.1Å; E117-R119 PolarHBondContact O-N 3.46Å |
| 118 | Q | 97.9 | Very high | 98.4 | Very high | 81 Ų | 81 | 38.7 Ų | 38.7 | 38% | 0.379 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 0.7 | 177.7 | -63.9 | -58.4 | -46.6 | 0 | 0 | 113.5 | A33 S114 W116 S120 | A33-Q118 HydrophobicContact CB-CB 4.38Å; A33-Q118 HydrophobicContact CB-CG 4.21Å; A33-Q118 WeakPolarHBondContact O-CG 3.28Å; S114-Q118 VanDerWaalsContact O-CB 3.28Å; S114-Q118 WeakPolarHBondContact O-CB 3.44Å; S114-Q118 WeakPolarHBondContact O-CG 3.41Å; S114-Q118 PolarHBondContact O-N 2.91Å; W116-Q118 PolarHBondContact O-N 3.4Å; Q118-S120 PolarHBondContact O-N 2.76Å |
| 119 | R | 97.3 | Very high | 98.4 | Very high | 143 Ų | 143 | 37.7 Ų | 37.7 | 54% | 0.54 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 36.7 | -175 | -56.6 | -174.5 | 65.1 | 86.1 | 2.7 | 112.7 | F115 W116 E117 Y183 N185 | F115-R119 PolarHBondContact O-N 2.86Å; W116-R119 PolarHBondContact O-N 3.16Å; W116-R119 VanDerWaalsContact O-N 3.11Å; E117-R119 PolarHBondContact O-N 3.46Å; R119-Y183 WeakPolarHBondContact CA-OH 3.35Å; R119-Y183 PolarHBondContact O-OH 2.67Å; R119-N185 PolarHBondContact O-ND2 2.84Å |
| 120 | S | 98.1 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -56.1 | 149.2 | -179 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | R34 F115 Q118 Y183 | R34-S120 PolarHBondContact O-OG 3.44Å; F115-S120 WeakPolarHBondContact O-CB 3.35Å; F115-S120 PolarHBondContact O-N 3.3Å; F115-S120 PolarHBondContact O-OG 2.91Å; Q118-S120 PolarHBondContact O-N 2.76Å; S120-Y183 PolarHBondContact N-OH 2.82Å; S120-Y183 VanDerWaalsContact N-OH 3.15Å; S120-Y183 PolarHBondContact O-OH 3.28Å | ||
| 121 | R | 98.6 | Very high | 98.5 | Very high | 58 Ų | 58 | 31.1 Ų | 31.1 | 22% | 0.219 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 133.1 | 176.5 | -70.4 | 170.6 | -70.1 | 178.7 | 1.6 | 109.1 | D36 D37 I38 L39 Y59 F208 L209 | D36-R121 PolarHBondContact O-NH2 2.91Å; D37-R121 PolarHBondContact O-N 2.77Å; I38-R121 WeakPolarHBondContact CA-O 3.46Å; I38-R121 HydrophobicContact CG1-CB 4.29Å; L39-R121 PolarHBondContact N-O 3.49Å; Y59-R121 PolarHBondContact OH-NH1 2.96Å; R121-F208 HydrophobicContact CB-CE1 4.32Å; R121-F208 HydrophobicContact CB-CZ 4.32Å; R121-L209 PolarHBondContact NH1-O 2.86Å |
| 122 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.3 | 179.9 | -54 | -179.9 | 0 | 0 | 0 | 109.5 | L39 A41 W116 W176 Y183 N185 L186 H187 | L39-I122 HydrophobicContact CB-CG1 4.22Å; L39-I122 HydrophobicContact CD2-CD1 4.44Å; L39-I122 CarbonylContact O-C 3.6Å; L39-I122 VanDerWaalsContact O-CA 3.31Å; L39-I122 WeakPolarHBondContact O-CA 3.4Å; A41-I122 HydrophobicContact CB-CG2 4.32Å; W116-I122 HydrophobicContact CE3-CD1 3.94Å; W116-I122 HydrophobicContact CH2-CD1 3.57Å; W116-I122 HydrophobicContact CZ3-CD1 3.23Å; I122-W176 HydrophobicContact CD1-CH2 4.48Å; I122-W176 HydrophobicContact CD1-CZ3 4.19Å; I122-W176 HydrophobicContact CG2-CH2 4.12Å; I122-W176 HydrophobicContact CG2-CZ3 3.7Å; I122-Y183 HydrophobicContact CD1-CD1 4.16Å; I122-Y183 HydrophobicContact CD1-CE1 3.71Å; I122-Y183 HydrophobicContact CG1-CE1 4.03Å; I122-N185 PolarHBondContact N-O 3.42Å; I122-L186 HydrophobicContact CB-CG 4.11Å; I122-L186 HydrophobicContact CG2-CG 4.17Å; I122-L186 CarbonylContact O-C 3.49Å; I122-L186 WeakPolarHBondContact O-CA 3.43Å; I122-H187 PolarHBondContact O-N 3.46Å |
| 123 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 112.7 | 171.1 | -178.6 | 0 | 0 | 0 | 0 | 107.2 | I38 L39 I40 A41 V51 L55 M189 L205 F208 | I38-V123 HydrophobicContact CG2-CG2 4.2Å; L39-V123 PolarHBondContact O-N 3.37Å; I40-V123 WeakPolarHBondContact CA-O 3.3Å; A41-V123 PolarHBondContact N-O 3.47Å; V51-V123 HydrophobicContact CG2-CG1 3.91Å; L55-V123 HydrophobicContact CD1-CG2 4.41Å; V123-M189 HydrophobicContact CG1-SD 3.92Å; V123-L205 HydrophobicContact CG1-CD1 3.99Å; V123-L205 HydrophobicContact CG2-CD1 3.77Å; V123-F208 HydrophobicContact CG2-CD1 4.48Å; V123-F208 HydrophobicContact CG2-CE1 4.09Å |
| 124 | Y | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130.7 | 175.7 | -171.9 | -94.1 | 0 | 0 | 0 | 110.6 | A41 A126 H172 W176 H187 Y188 M189 | A41-Y124 HydrophobicContact CB-CD2 3.79Å; A41-Y124 HydrophobicContact CB-CE2 4.46Å; A41-Y124 VanDerWaalsContact O-CA 3.24Å; A41-Y124 WeakPolarHBondContact O-CA 3.5Å; A41-Y124 VanDerWaalsContact O-CD2 3.25Å; A41-Y124 WeakPolarHBondContact O-CD2 3.39Å; Y124-A126 HydrophobicContact CD1-CB 4.4Å; Y124-A126 HydrophobicContact CE1-CB 3.85Å; Y124-H172 AromaticContact CE2-CE1 3.75Å; Y124-H172 AromaticContact CE2-ND1 3.84Å; Y124-H172 AromaticContact CZ-ND1 3.8Å; Y124-H172 PolarHBondContact OH-ND1 3.32Å; Y124-W176 HydrophobicContact CD1-CB 4.18Å; Y124-W176 HydrophobicContact CD2-CB 3.76Å; Y124-W176 AromaticContact CD2-CD1 3.92Å; Y124-W176 AromaticContact CD2-CD2 3.41Å; Y124-W176 HydrophobicContact CD2-CD2 3.41Å; Y124-W176 VanDerWaalsContact CD2-CD2 3.41Å; Y124-W176 AromaticContact CD2-CE2 3.93Å; Y124-W176 AromaticContact CD2-CE3 3.82Å; Y124-W176 HydrophobicContact CD2-CE3 3.82Å; Y124-W176 AromaticContact CD2-CG 3.41Å; Y124-W176 HydrophobicContact CD2-CG 3.41Å; Y124-W176 VanDerWaalsContact CD2-CG 3.41Å; Y124-W176 HydrophobicContact CE1-CB 3.95Å; Y124-W176 HydrophobicContact CE1-CG 4.45Å; Y124-W176 HydrophobicContact CE2-CB 3.56Å; Y124-W176 AromaticContact CE2-CD1 3.24Å; Y124-W176 AromaticContact CE2-CD2 3.6Å; Y124-W176 HydrophobicContact CE2-CD2 3.6Å; Y124-W176 AromaticContact CE2-CE2 3.92Å; Y124-W176 HydrophobicContact CE2-CE3 4.45Å; Y124-W176 AromaticContact CE2-CG 3.15Å; Y124-W176 HydrophobicContact CE2-CG 3.15Å; Y124-W176 AromaticContact CE2-NE1 3.66Å; Y124-W176 HydrophobicContact CG-CB 4.06Å; Y124-W176 HydrophobicContact CG-CD2 4.29Å; Y124-W176 HydrophobicContact CG-CE3 4.39Å; Y124-W176 HydrophobicContact CG-CG 4.19Å; Y124-W176 AromaticContact CZ-CD1 3.82Å; Y124-W176 AromaticContact CZ-CG 3.72Å; Y124-H187 PolarHBondContact N-O 3.1Å; Y124-Y188 HydrophobicContact CD1-CD1 4.33Å; Y124-Y188 AromaticContact CD1-CD2 3.44Å; Y124-Y188 HydrophobicContact CD1-CD2 3.44Å; Y124-Y188 VanDerWaalsContact CD1-CD2 3.44Å; Y124-Y188 HydrophobicContact CD1-CE1 4.1Å; Y124-Y188 AromaticContact CD1-CE2 3.14Å; Y124-Y188 HydrophobicContact CD1-CE2 3.14Å; Y124-Y188 HydrophobicContact CD1-CG 4.03Å; Y124-Y188 AromaticContact CD1-CZ 3.52Å; Y124-Y188 HydrophobicContact CE1-CD2 4.15Å; Y124-Y188 HydrophobicContact CE1-CE1 4.3Å; Y124-Y188 AromaticContact CE1-CE2 3.37Å; Y124-Y188 HydrophobicContact CE1-CE2 3.37Å; Y124-Y188 AromaticContact CE1-CZ 3.46Å; Y124-Y188 VanDerWaalsContact CE1-CZ 3.46Å; Y124-Y188 WeakPolarHBondContact CE1-OH 3.06Å; Y124-Y188 HydrophobicContact CG-CD2 4.09Å; Y124-Y188 HydrophobicContact CG-CE2 4.1Å; Y124-M189 PolarHBondContact O-N 3.02Å |
| 125 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 122.9 | 173.3 | -167.8 | 0 | 0 | 0 | 0 | 109.9 | A41 T42 A46 V51 M189 L194 | A41-V125 PolarHBondContact O-N 2.95Å; A41-V125 VanDerWaalsContact O-N 3.16Å; T42-V125 HydrophobicContact CG2-CB 3.74Å; T42-V125 HydrophobicContact CG2-CG2 4.24Å; T42-V125 WeakPolarHBondContact CG2-O 3.34Å; A46-V125 WeakPolarHBondContact CB-O 3.31Å; A46-V125 VanDerWaalsContact O-CG1 3.29Å; A46-V125 WeakPolarHBondContact O-CG1 3.32Å; V51-V125 HydrophobicContact CB-CG2 4.06Å; V51-V125 HydrophobicContact CG1-CG2 3.8Å; V51-V125 HydrophobicContact CG2-CG2 4.2Å; V125-M189 WeakPolarHBondContact CA-O 3.36Å; V125-M189 HydrophobicContact CG2-CB 4.37Å; V125-L194 HydrophobicContact CG1-CD1 4.16Å |
| 126 | A | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.008 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 154.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y124 V173 Y188 M189 F190 Y191 F287 | Y124-A126 HydrophobicContact CD1-CB 4.4Å; Y124-A126 HydrophobicContact CE1-CB 3.85Å; A126-V173 HydrophobicContact CB-CG1 4.43Å; A126-Y188 HydrophobicContact CB-CE1 3.57Å; A126-Y188 WeakPolarHBondContact CB-OH 3.44Å; A126-M189 PolarHBondContact N-O 3.32Å; A126-F190 HydrophobicContact CB-CD1 4.21Å; A126-F190 HydrophobicContact CB-CE1 4.39Å; A126-F190 CarbonylContact O-C 3.54Å; A126-F190 WeakPolarHBondContact O-CA 3.47Å; A126-Y191 WeakPolarHBondContact O-CB 3.24Å; A126-Y191 PolarHBondContact O-N 3.22Å; A126-F287 HydrophobicContact CB-CE1 3.62Å; A126-F287 HydrophobicContact CB-CZ 4Å |
| 127 | R | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 22.8 Ų | 22.8 | 5% | 0.049 | 10% | 0.099 | C | C | . | . | trans | -140.7 | 149.1 | 173.8 | -178 | 179 | -172.1 | -177.8 | 6.8 | 108.5 | K45 A46 S132 W169 Y191 E192 R256 | K45-R127 WeakPolarHBondContact O-CD 3.17Å; K45-R127 PolarHBondContact O-NH1 3.32Å; A46-R127 HydrophobicContact CB-CB 3.71Å; R127-S132 PolarHBondContact O-OG 3.42Å; R127-W169 VanDerWaalsContact O-CZ2 3.29Å; R127-W169 WeakPolarHBondContact O-CZ2 3.5Å; R127-W169 PolarHBondContact O-NE1 2.72Å; R127-W169 VanDerWaalsContact O-NE1 3.17Å; R127-Y191 HydrophobicContact CB-CG 4.3Å; R127-Y191 HydrophobicContact CG-CD1 3.86Å; R127-Y191 HydrophobicContact CG-CG 3.95Å; R127-E192 WeakPolarHBondContact CG-OE1 3.32Å; R127-R256 PolarHBondContact NH2-O 2.99Å | ||
| 128 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -50.8 | 143.1 | 176.2 | 79.1 | 80.5 | 0 | 0 | 0 | 111.7 | K130 D131 S132 E192 F287 R288 | N128-K130 VanDerWaalsContact C-N 3.3Å; N128-K130 PolarHBondContact O-N 3.05Å; N128-K130 PolarHBondContact OD1-N 3.44Å; N128-D131 PolarHBondContact ND2-OD2 3.48Å; N128-D131 PolarHBondContact OD1-N 3.24Å; N128-S132 VanDerWaalsContact O-CB 3.3Å; N128-S132 WeakPolarHBondContact O-CB 3.49Å; N128-S132 PolarHBondContact O-N 3.16Å; N128-S132 VanDerWaalsContact O-N 3.08Å; N128-S132 PolarHBondContact O-OG 3.34Å; N128-E192 WeakPolarHBondContact CB-OE1 3.24Å; N128-E192 PolarHBondContact N-OE1 3.43Å; N128-E192 PolarHBondContact ND2-OE1 3.09Å; N128-F287 HydrophobicContact CB-CB 4.18Å; N128-R288 WeakPolarHBondContact CB-O 3.19Å | ||
| 129 | A | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.008 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.2 | -33.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S132 A133 F159 W169 F272 F276 | A129-S132 WeakPolarHBondContact O-CB 3.27Å; A129-S132 PolarHBondContact O-N 3.32Å; A129-A133 WeakPolarHBondContact O-CB 3.48Å; A129-A133 PolarHBondContact O-N 3.48Å; A129-F159 HydrophobicContact CB-CE1 4.48Å; A129-W169 HydrophobicContact CB-CD2 3.61Å; A129-W169 HydrophobicContact CB-CE3 3.55Å; A129-W169 HydrophobicContact CB-CG 4.41Å; A129-W169 HydrophobicContact CB-CH2 3.71Å; A129-W169 HydrophobicContact CB-CZ2 3.71Å; A129-W169 HydrophobicContact CB-CZ3 3.62Å; A129-F272 HydrophobicContact CB-CE1 4.02Å; A129-F272 HydrophobicContact CB-CZ 3.57Å; A129-F276 HydrophobicContact CB-CD2 4.25Å; A129-F276 HydrophobicContact CB-CE2 4.14Å |
| 130 | K | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 8.3 Ų | 8.3 | 2% | 0.022 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -70.5 | -49.1 | -175.5 | -60.6 | -174.5 | -175.8 | 176.4 | 0 | 112.2 | N128 S132 A133 V134 W260 F264 N269 F272 E273 | N128-K130 VanDerWaalsContact C-N 3.3Å; N128-K130 PolarHBondContact O-N 3.05Å; N128-K130 PolarHBondContact OD1-N 3.44Å; K130-S132 VanDerWaalsContact C-N 3.28Å; K130-S132 PolarHBondContact O-N 2.99Å; K130-A133 PolarHBondContact O-N 2.94Å; K130-V134 PolarHBondContact O-N 2.98Å; K130-V134 VanDerWaalsContact O-N 3.09Å; K130-W260 HydrophobicContact CB-CB 3.6Å; K130-W260 HydrophobicContact CB-CD2 3.92Å; K130-W260 HydrophobicContact CB-CE3 4.44Å; K130-W260 HydrophobicContact CB-CG 3.52Å; K130-W260 HydrophobicContact CD-CD2 3.48Å; K130-W260 VanDerWaalsContact CD-CD2 3.48Å; K130-W260 HydrophobicContact CD-CE3 3.55Å; K130-W260 HydrophobicContact CD-CG 4.03Å; K130-W260 HydrophobicContact CD-CH2 4.07Å; K130-W260 HydrophobicContact CD-CZ2 4Å; K130-W260 HydrophobicContact CD-CZ3 3.85Å; K130-W260 HydrophobicContact CG-CD2 4.38Å; K130-W260 HydrophobicContact CG-CG 4.46Å; K130-W260 VanDerWaalsContact NZ-CH2 3.33Å; K130-F264 HydrophobicContact CB-CE2 4.04Å; K130-F264 HydrophobicContact CB-CZ 4.04Å; K130-F264 HydrophobicContact CG-CZ 4.15Å; K130-N269 WeakPolarHBondContact CE-OD1 3.29Å; K130-N269 PolarHBondContact NZ-OD1 2.96Å; K130-F272 HydrophobicContact CD-CD1 4.5Å; K130-F272 HydrophobicContact CG-CD1 3.94Å; K130-F272 HydrophobicContact CG-CE1 3.66Å; K130-F272 HydrophobicContact CG-CZ 4.25Å; K130-E273 WeakPolarHBondContact CE-OE1 3.43Å; K130-E273 IonicContact NZ-OE1 2.67Å; K130-E273 PolarHBondContact NZ-OE1 3.07Å |
| 131 | D | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -67.7 | -32.5 | 174.1 | -77.6 | -42.6 | 0 | 0 | 0 | 111.7 | N128 S135 V257 G258 D259 W260 | N128-D131 PolarHBondContact ND2-OD2 3.48Å; N128-D131 PolarHBondContact OD1-N 3.24Å; D131-S135 VanDerWaalsContact O-CB 3.24Å; D131-S135 WeakPolarHBondContact O-CB 3.29Å; D131-S135 PolarHBondContact O-N 3.42Å; D131-V257 WeakPolarHBondContact OD2-CA 3.5Å; D131-G258 PolarHBondContact OD2-N 3.07Å; D131-D259 PolarHBondContact OD1-N 3.03Å; D131-W260 PolarHBondContact OD1-N 2.7Å |
| 132 | S | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.7 | -48 | 173.1 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | R127 N128 A129 K130 S135 Y136 | R127-S132 PolarHBondContact O-OG 3.42Å; N128-S132 VanDerWaalsContact O-CB 3.3Å; N128-S132 WeakPolarHBondContact O-CB 3.49Å; N128-S132 PolarHBondContact O-N 3.16Å; N128-S132 VanDerWaalsContact O-N 3.08Å; N128-S132 PolarHBondContact O-OG 3.34Å; A129-S132 WeakPolarHBondContact O-CB 3.27Å; A129-S132 PolarHBondContact O-N 3.32Å; K130-S132 VanDerWaalsContact C-N 3.28Å; K130-S132 PolarHBondContact O-N 2.99Å; S132-S135 PolarHBondContact O-N 2.97Å; S132-Y136 WeakPolarHBondContact O-CB 3.32Å; S132-Y136 PolarHBondContact O-N 3.35Å |
| 133 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59.1 | -50 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A129 K130 S135 Y136 F137 W152 F155 L156 F159 | A129-A133 WeakPolarHBondContact O-CB 3.48Å; A129-A133 PolarHBondContact O-N 3.48Å; K130-A133 PolarHBondContact O-N 2.94Å; A133-S135 PolarHBondContact O-N 2.9Å; A133-Y136 PolarHBondContact O-N 2.9Å; A133-F137 PolarHBondContact O-N 3.31Å; A133-W152 HydrophobicContact CB-CH2 4.24Å; A133-F155 WeakPolarHBondContact O-CE1 3.35Å; A133-L156 HydrophobicContact CB-CD1 4.29Å; A133-F159 HydrophobicContact CB-CD1 3.85Å; A133-F159 HydrophobicContact CB-CD2 4.02Å; A133-F159 HydrophobicContact CB-CE1 3.88Å; A133-F159 HydrophobicContact CB-CE2 4.01Å; A133-F159 HydrophobicContact CB-CG 3.93Å; A133-F159 HydrophobicContact CB-CZ 3.95Å |
| 134 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 177.4 | 171 | 0 | 0 | 0 | 0 | 111.5 | K130 Y136 F137 H138 W152 W260 H263 F264 | K130-V134 PolarHBondContact O-N 2.98Å; K130-V134 VanDerWaalsContact O-N 3.09Å; V134-Y136 PolarHBondContact O-N 3.22Å; V134-F137 PolarHBondContact O-N 3.35Å; V134-H138 PolarHBondContact O-CD2 3.39Å; V134-H138 VanDerWaalsContact O-CD2 3.23Å; V134-H138 PolarHBondContact O-N 2.92Å; V134-W152 HydrophobicContact CB-CH2 4.37Å; V134-W152 HydrophobicContact CG2-CH2 3.47Å; V134-W152 VanDerWaalsContact CG2-CH2 3.47Å; V134-W152 HydrophobicContact CG2-CZ2 4.07Å; V134-W152 HydrophobicContact CG2-CZ3 4Å; V134-W260 HydrophobicContact CG2-CB 4.22Å; V134-H263 HydrophobicContact CG1-CB 4.49Å; V134-H263 HydrophobicContact CG2-CB 3.68Å; V134-F264 HydrophobicContact CG2-CD2 4.24Å; V134-F264 HydrophobicContact CG2-CE2 3.89Å |
| 135 | S | 98.8 | Very high | 98.1 | Very high | 16 Ų | 16 | 14.7 Ų | 14.7 | 11% | 0.112 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.4 | -31.8 | -179.8 | -168.2 | 0 | 0 | 0 | 0 | 111.9 | K45 D131 S132 A133 F139 | K45-S135 WeakPolarHBondContact CE-OG 3.19Å; D131-S135 VanDerWaalsContact O-CB 3.24Å; D131-S135 WeakPolarHBondContact O-CB 3.29Å; D131-S135 PolarHBondContact O-N 3.42Å; S132-S135 PolarHBondContact O-N 2.97Å; A133-S135 PolarHBondContact O-N 2.9Å; S135-F139 VanDerWaalsContact O-CB 3.3Å; S135-F139 WeakPolarHBondContact O-CB 3.41Å; S135-F139 PolarHBondContact O-N 3.18Å; S135-F139 VanDerWaalsContact O-N 3.13Å |
| 136 | Y | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 15 Ų | 15 | 2% | 0.024 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -75.2 | -40.9 | 179 | -157.6 | 172.1 | 0 | 0 | 0 | 111.5 | Y43 P44 K45 S132 A133 V134 H138 F139 G140 L146 F155 F159 V164 V165 | Y43-Y136 AromaticContact CE1-CD1 3.97Å; Y43-Y136 HydrophobicContact CE1-CD1 3.97Å; Y43-Y136 HydrophobicContact CE1-CE1 4.09Å; P44-Y136 HydrophobicContact CB-CD1 4.25Å; P44-Y136 HydrophobicContact CB-CE1 3.81Å; P44-Y136 HydrophobicContact CB-CE2 4.27Å; P44-Y136 HydrophobicContact CG-CE1 4.02Å; K45-Y136 HydrophobicContact CG-CD2 4.32Å; K45-Y136 HydrophobicContact CG-CG 4.18Å; S132-Y136 WeakPolarHBondContact O-CB 3.32Å; S132-Y136 PolarHBondContact O-N 3.35Å; A133-Y136 PolarHBondContact O-N 2.9Å; V134-Y136 PolarHBondContact O-N 3.22Å; Y136-H138 PolarHBondContact O-N 3.43Å; Y136-F139 HydrophobicContact CD2-CD1 4.17Å; Y136-F139 HydrophobicContact CE2-CD1 4.2Å; Y136-F139 CarbonylContact O-C 3.57Å; Y136-F139 WeakPolarHBondContact O-CA 3.2Å; Y136-F139 WeakPolarHBondContact O-CB 3.37Å; Y136-F139 PolarHBondContact O-N 2.97Å; Y136-F139 VanDerWaalsContact O-N 3.1Å; Y136-G140 PolarHBondContact O-N 3.14Å; Y136-L146 HydrophobicContact CD2-CD1 4.39Å; Y136-L146 HydrophobicContact CE2-CD1 3.73Å; Y136-L146 HydrophobicContact CE2-CD2 4.43Å; Y136-F155 HydrophobicContact CD1-CZ 4.36Å; Y136-F155 HydrophobicContact CD2-CZ 4.41Å; Y136-F155 AromaticContact CG-CZ 3.93Å; Y136-F155 HydrophobicContact CG-CZ 3.93Å; Y136-F159 HydrophobicContact CD1-CD2 4.43Å; Y136-F159 HydrophobicContact CD1-CE2 4.43Å; Y136-V164 HydrophobicContact CE1-CB 4.27Å; Y136-V164 HydrophobicContact CE1-CG2 4.04Å; Y136-V165 WeakPolarHBondContact OH-CB 3.48Å; Y136-V165 PolarHBondContact OH-O 2.93Å |
| 137 | F | 98.8 | Very high | 97.9 | Very high | 20 Ų | 20 | 16.6 Ų | 16.6 | 9% | 0.088 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -53.2 | -54.1 | 173.3 | 173.6 | -115.5 | 0 | 0 | 0 | 111.9 | A133 V134 F139 G140 R141 P149 G150 W152 F155 | A133-F137 PolarHBondContact O-N 3.31Å; V134-F137 PolarHBondContact O-N 3.35Å; F137-F139 VanDerWaalsContact C-N 3.27Å; F137-F139 PolarHBondContact O-N 3.36Å; F137-G140 PolarHBondContact O-N 3Å; F137-R141 HydrophobicContact CE2-CG 4.42Å; F137-R141 HydrophobicContact CZ-CG 4.4Å; F137-R141 WeakPolarHBondContact O-CG 3.46Å; F137-R141 PolarHBondContact O-N 3.44Å; F137-R141 VanDerWaalsContact O-N 3.11Å; F137-P149 HydrophobicContact CD2-CB 4.05Å; F137-P149 HydrophobicContact CE2-CB 4.23Å; F137-G150 WeakPolarHBondContact CE2-O 3.44Å; F137-W152 HydrophobicContact CB-CE3 3.8Å; F137-W152 HydrophobicContact CB-CZ3 3.77Å; F137-W152 AromaticContact CD1-CE3 3.79Å; F137-W152 HydrophobicContact CD1-CE3 3.79Å; F137-W152 HydrophobicContact CD1-CZ3 4.46Å; F137-W152 HydrophobicContact CD2-CE3 4.2Å; F137-W152 HydrophobicContact CE1-CB 4.18Å; F137-W152 HydrophobicContact CE1-CE3 4.4Å; F137-W152 HydrophobicContact CE2-CB 4.38Å; F137-W152 AromaticContact CG-CE3 3.67Å; F137-W152 HydrophobicContact CG-CE3 3.67Å; F137-W152 HydrophobicContact CG-CZ3 4.17Å; F137-W152 HydrophobicContact CZ-CB 4.01Å; F137-F155 HydrophobicContact CB-CD1 3.61Å; F137-F155 HydrophobicContact CB-CE1 3.73Å; F137-F155 HydrophobicContact CB-CG 4.06Å; F137-F155 HydrophobicContact CB-CZ 4.26Å; F137-F155 HydrophobicContact CD2-CB 3.64Å; F137-F155 HydrophobicContact CD2-CD1 4.02Å; F137-F155 HydrophobicContact CD2-CD2 4.08Å; F137-F155 AromaticContact CD2-CG 3.63Å; F137-F155 HydrophobicContact CD2-CG 3.63Å; F137-F155 HydrophobicContact CE2-CB 4.17Å; F137-F155 HydrophobicContact CG-CD1 4.25Å; F137-F155 HydrophobicContact CG-CG 4.3Å |
| 138 | H | 98.8 | Very high | 97.8 | Very high | 24 Ų | 24 | 22 Ų | 22 | 11% | 0.111 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64 | -33.1 | 178.5 | -73.8 | -66.3 | 0 | 0 | 0 | 112.7 | V134 Y136 R141 M142 H263 | V134-H138 PolarHBondContact O-CD2 3.39Å; V134-H138 VanDerWaalsContact O-CD2 3.23Å; V134-H138 PolarHBondContact O-N 2.92Å; Y136-H138 PolarHBondContact O-N 3.43Å; H138-R141 PolarHBondContact ND1-NH1 2.91Å; H138-R141 VanDerWaalsContact ND1-NH1 3.2Å; H138-R141 PolarHBondContact O-N 3.48Å; H138-M142 WeakPolarHBondContact O-CG 3.47Å; H138-M142 PolarHBondContact O-N 3.45Å; H138-H263 AromaticContact CD2-NE2 3.96Å; H138-H263 AromaticContact NE2-CD2 3.59Å; H138-H263 AromaticContact NE2-NE2 3.04Å; H138-H263 PolarHBondContact NE2-NE2 3.17Å |
| 139 | F | 98.6 | Very high | 97.7 | Very high | 28 Ų | 28 | 22.5 Ų | 22.5 | 12% | 0.123 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.9 | -40.4 | 173.9 | -175 | -121.7 | 0 | 0 | 0 | 112.4 | K45 S135 Y136 F137 R141 M142 N143 L146 M244 F251 | K45-F139 HydrophobicContact CD-CB 3.84Å; K45-F139 HydrophobicContact CD-CD1 3.66Å; K45-F139 HydrophobicContact CD-CD2 4.42Å; K45-F139 HydrophobicContact CD-CE1 4.25Å; K45-F139 HydrophobicContact CD-CG 3.73Å; S135-F139 VanDerWaalsContact O-CB 3.3Å; S135-F139 WeakPolarHBondContact O-CB 3.41Å; S135-F139 PolarHBondContact O-N 3.18Å; S135-F139 VanDerWaalsContact O-N 3.13Å; Y136-F139 HydrophobicContact CD2-CD1 4.17Å; Y136-F139 HydrophobicContact CE2-CD1 4.2Å; Y136-F139 CarbonylContact O-C 3.57Å; Y136-F139 WeakPolarHBondContact O-CA 3.2Å; Y136-F139 WeakPolarHBondContact O-CB 3.37Å; Y136-F139 PolarHBondContact O-N 2.97Å; Y136-F139 VanDerWaalsContact O-N 3.1Å; F137-F139 VanDerWaalsContact C-N 3.27Å; F137-F139 PolarHBondContact O-N 3.36Å; F139-R141 VanDerWaalsContact C-N 3.3Å; F139-R141 PolarHBondContact O-N 3.11Å; F139-M142 HydrophobicContact CD2-CG 4.4Å; F139-M142 HydrophobicContact CD2-SD 3.81Å; F139-M142 HydrophobicContact CE2-SD 4.09Å; F139-M142 WeakPolarHBondContact O-CG 2.97Å; F139-M142 PolarHBondContact O-N 3.29Å; F139-N143 HydrophobicContact CD2-CB 4.14Å; F139-N143 HydrophobicContact CE1-CB 4.45Å; F139-N143 WeakPolarHBondContact CE1-ND2 3.42Å; F139-N143 HydrophobicContact CE2-CB 3.92Å; F139-N143 HydrophobicContact CZ-CB 4.11Å; F139-N143 WeakPolarHBondContact CZ-ND2 3.47Å; F139-N143 WeakPolarHBondContact O-CB 3.14Å; F139-N143 PolarHBondContact O-N 3.25Å; F139-L146 HydrophobicContact CD1-CD1 3.45Å; F139-L146 VanDerWaalsContact CD1-CD1 3.45Å; F139-L146 HydrophobicContact CE1-CD1 3.69Å; F139-L146 HydrophobicContact CG-CD1 4.34Å; F139-M244 HydrophobicContact CE2-CE 3.84Å; F139-M244 HydrophobicContact CE2-SD 4.21Å; F139-M244 HydrophobicContact CZ-CE 3.98Å; F139-F251 HydrophobicContact CD2-CD2 4.28Å; F139-F251 HydrophobicContact CD2-CE2 4.47Å; F139-F251 AromaticContact CE2-CD2 3.86Å; F139-F251 HydrophobicContact CE2-CD2 3.86Å; F139-F251 AromaticContact CE2-CE2 3.85Å; F139-F251 HydrophobicContact CE2-CE2 3.85Å; F139-F251 HydrophobicContact CZ-CE2 4.49Å |
| 140 | G | 97.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.6 | -40.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R6 Y136 F137 M142 | R6-G140 PolarHBondContact NH1-O 2.97Å; R6-G140 PolarHBondContact NH2-O 3.4Å; R6-G140 VanDerWaalsContact NH2-O 3.15Å; Y136-G140 PolarHBondContact O-N 3.14Å; F137-G140 PolarHBondContact O-N 3Å; G140-M142 VanDerWaalsContact C-N 3.35Å; G140-M142 PolarHBondContact O-N 3.38Å |
| 141 | R | 98.1 | Very high | 97.5 | Very high | 95 Ų | 95 | 28.4 Ų | 28.4 | 36% | 0.358 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61.8 | -41.5 | 178.9 | -67.9 | 174.5 | 64.9 | -146.2 | 0.4 | 112.1 | R6 F137 H138 F139 P149 V248 | R6-R141 PolarHBondContact NH2-O 3.35Å; F137-R141 HydrophobicContact CE2-CG 4.42Å; F137-R141 HydrophobicContact CZ-CG 4.4Å; F137-R141 WeakPolarHBondContact O-CG 3.46Å; F137-R141 PolarHBondContact O-N 3.44Å; F137-R141 VanDerWaalsContact O-N 3.11Å; H138-R141 PolarHBondContact ND1-NH1 2.91Å; H138-R141 VanDerWaalsContact ND1-NH1 3.2Å; H138-R141 PolarHBondContact O-N 3.48Å; F139-R141 VanDerWaalsContact C-N 3.3Å; F139-R141 PolarHBondContact O-N 3.11Å; R141-P149 HydrophobicContact CB-CG 4.38Å; R141-P149 HydrophobicContact CG-CG 3.61Å; R141-V248 HydrophobicContact CB-CG1 3.83Å |
| 142 | M | 97.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -89.7 | -26.5 | -177 | 68.9 | 87.4 | 71.7 | 0 | 0 | 114.5 | H138 F139 G140 M244 N245 Q246 V248 S249 F251 | H138-M142 WeakPolarHBondContact O-CG 3.47Å; H138-M142 PolarHBondContact O-N 3.45Å; F139-M142 HydrophobicContact CD2-CG 4.4Å; F139-M142 HydrophobicContact CD2-SD 3.81Å; F139-M142 HydrophobicContact CE2-SD 4.09Å; F139-M142 WeakPolarHBondContact O-CG 2.97Å; F139-M142 PolarHBondContact O-N 3.29Å; G140-M142 VanDerWaalsContact C-N 3.35Å; G140-M142 PolarHBondContact O-N 3.38Å; M142-M244 HydrophobicContact CE-CB 3.67Å; M142-M244 HydrophobicContact CE-CG 4.23Å; M142-M244 HydrophobicContact CE-SD 4.33Å; M142-M244 CarbonylContact O-C 3.58Å; M142-M244 WeakPolarHBondContact O-CA 3.44Å; M142-M244 HydrophobicContact SD-CB 3.9Å; M142-M244 HydrophobicContact SD-CG 3.92Å; M142-M244 HydrophobicContact SD-SD 4.19Å; M142-N245 WeakPolarHBondContact CB-O 3.34Å; M142-N245 PolarHBondContact O-N 3.41Å; M142-Q246 HydrophobicContact CE-CG 4.41Å; M142-V248 HydrophobicContact CB-CB 4.34Å; M142-S249 WeakPolarHBondContact CB-O 3.39Å; M142-S249 WeakPolarHBondContact CE-O 3.38Å; M142-S249 WeakPolarHBondContact CG-O 3Å; M142-F251 HydrophobicContact CE-CB 4.16Å |
| 143 | N | 96.1 | Very high | 97.5 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.043 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -102.5 | 112.6 | -172.9 | -177.6 | 5.4 | 0 | 0 | 0 | 112.2 | R6 F139 V145 L146 M244 | R6-N143 PolarHBondContact NH1-O 3.04Å; F139-N143 HydrophobicContact CD2-CB 4.14Å; F139-N143 HydrophobicContact CE1-CB 4.45Å; F139-N143 WeakPolarHBondContact CE1-ND2 3.42Å; F139-N143 HydrophobicContact CE2-CB 3.92Å; F139-N143 HydrophobicContact CZ-CB 4.11Å; F139-N143 WeakPolarHBondContact CZ-ND2 3.47Å; F139-N143 WeakPolarHBondContact O-CB 3.14Å; F139-N143 PolarHBondContact O-N 3.25Å; N143-V145 PolarHBondContact O-N 3.04Å; N143-V145 WeakPolarHBondContact OD1-CB 3.32Å; N143-V145 VanDerWaalsContact OD1-CG2 3.32Å; N143-V145 WeakPolarHBondContact OD1-CG2 3.29Å; N143-V145 PolarHBondContact OD1-N 2.62Å; N143-L146 HydrophobicContact CB-CD1 4.3Å; N143-L146 PolarHBondContact O-N 2.74Å; N143-M244 HydrophobicContact CB-CG 4.34Å |
| 144 | R | 95 | Very high | 97.4 | Very high | 82 Ų | 82 | 36 Ų | 36 | 31% | 0.309 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -5.1 | -177.8 | -68 | -175.5 | 66.7 | 148.1 | -2.8 | 115.1 | L3 P4 P7 L146 M243 | L3-R144 PolarHBondContact O-NH2 3.09Å; L3-R144 VanDerWaalsContact O-NH2 3.12Å; P4-R144 PolarHBondContact O-NH2 3.37Å; P7-R144 WeakPolarHBondContact CD-O 3.2Å; R144-L146 PolarHBondContact O-N 3.19Å; R144-M243 HydrophobicContact CB-CE 3.74Å; R144-M243 HydrophobicContact CB-SD 4.27Å; R144-M243 PolarHBondContact N-O 2.98Å |
| 145 | V | 94.3 | Very high | 97.4 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.03 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -17.6 | 169.1 | -178 | 0 | 0 | 0 | 0 | 111.6 | P7 Y20 F21 I80 E82 N143 M243 | P7-V145 WeakPolarHBondContact CG-O 3.33Å; Y20-V145 HydrophobicContact CD2-CB 4.26Å; Y20-V145 HydrophobicContact CD2-CG1 3.69Å; Y20-V145 HydrophobicContact CG-CG1 4.25Å; F21-V145 HydrophobicContact CE1-CG1 4.47Å; F21-V145 HydrophobicContact CE2-CG1 4.04Å; F21-V145 HydrophobicContact CZ-CG1 3.65Å; I80-V145 HydrophobicContact CD1-CG1 3.91Å; E82-V145 WeakPolarHBondContact OE2-CG2 3.05Å; N143-V145 PolarHBondContact O-N 3.04Å; N143-V145 WeakPolarHBondContact OD1-CB 3.32Å; N143-V145 VanDerWaalsContact OD1-CG2 3.32Å; N143-V145 WeakPolarHBondContact OD1-CG2 3.29Å; N143-V145 PolarHBondContact OD1-N 2.62Å; V145-M243 HydrophobicContact CG2-CB 4.2Å; V145-M243 HydrophobicContact CG2-CE 4.08Å |
| 146 | L | 96.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -101.1 | 153.6 | -179.6 | -60.1 | 173.8 | 0 | 0 | 0 | 111.1 | R6 F21 Y136 F139 N143 R144 V165 | R6-L146 PolarHBondContact NH1-O 2.67Å; F21-L146 HydrophobicContact CE2-CD2 4.48Å; Y136-L146 HydrophobicContact CD2-CD1 4.39Å; Y136-L146 HydrophobicContact CE2-CD1 3.73Å; Y136-L146 HydrophobicContact CE2-CD2 4.43Å; F139-L146 HydrophobicContact CD1-CD1 3.45Å; F139-L146 VanDerWaalsContact CD1-CD1 3.45Å; F139-L146 HydrophobicContact CE1-CD1 3.69Å; F139-L146 HydrophobicContact CG-CD1 4.34Å; N143-L146 HydrophobicContact CB-CD1 4.3Å; N143-L146 PolarHBondContact O-N 2.74Å; R144-L146 PolarHBondContact O-N 3.19Å; L146-V165 HydrophobicContact CD2-CB 4.03Å; L146-V165 HydrophobicContact CD2-CG1 4.46Å; L146-V165 HydrophobicContact CD2-CG2 3.67Å |
| 147 | P | 97.1 | Very high | 97.4 | Very high | 34 Ų | 34 | 38.2 Ų | 38.2 | 22% | 0.221 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -55.1 | 162 | 168.4 | -20.7 | 32.9 | 0 | 0 | 0 | 111.4 | P7 L9 T18 P149 V165 | P7-P147 WeakPolarHBondContact O-CA 3.28Å; P7-P147 WeakPolarHBondContact O-CB 3.44Å; P7-P147 WeakPolarHBondContact O-CG 3.34Å; L9-P147 HydrophobicContact CB-CG 4.2Å; L9-P147 HydrophobicContact CD1-CG 4.3Å; T18-P147 HydrophobicContact CG2-CG 3.92Å; P147-P149 WeakPolarHBondContact O-CD 3.43Å; P147-V165 HydrophobicContact CG-CG2 4.27Å |
| 148 | E | 96.3 | Very high | 97.4 | Very high | 126 Ų | 126 | 40.2 Ų | 40.2 | 59% | 0.589 | 21% | 0.213 | S | C | * | . | P | Polyproline II helix | trans | -64.1 | 123.3 | 174.8 | -171 | 61.2 | -130.4 | 0 | 0 | 109 | R6 G150 | R6-E148 WeakPolarHBondContact CD-OE2 3.34Å; R6-E148 IonicContact CZ-OE2 3.56Å; R6-E148 IonicContact NE-OE2 2.71Å; R6-E148 PolarHBondContact NE-OE2 3.37Å; R6-E148 IonicContact NH2-OE2 3.83Å; E148-G150 VanDerWaalsContact C-N 3.25Å; E148-G150 PolarHBondContact O-N 2.87Å |
| 149 | P | 95.9 | Very high | 97.4 | Very high | 11 Ų | 11 | 39 Ų | 39 | 7% | 0.071 | 21% | 0.208 | C | C | . | . | trans | -70.2 | -19.4 | -176.5 | 27.4 | -38.1 | 0 | 0 | 0 | 114 | F137 R141 P147 F155 | F137-P149 HydrophobicContact CD2-CB 4.05Å; F137-P149 HydrophobicContact CE2-CB 4.23Å; R141-P149 HydrophobicContact CB-CG 4.38Å; R141-P149 HydrophobicContact CG-CG 3.61Å; P147-P149 WeakPolarHBondContact O-CD 3.43Å; P149-F155 HydrophobicContact CB-CD2 3.76Å; P149-F155 HydrophobicContact CB-CE2 4.31Å | ||
| 150 | G | 95.9 | Very high | 97.4 | Very high | 45 Ų | 45 | 38.1 Ų | 38.1 | 46% | 0.464 | 20% | 0.204 | S | C | . | . | trans | 69.9 | -154.4 | -171 | 0 | 0 | 0 | 0 | 0 | 112.2 | F137 E148 | F137-G150 WeakPolarHBondContact CE2-O 3.44Å; E148-G150 VanDerWaalsContact C-N 3.25Å; E148-G150 PolarHBondContact O-N 2.87Å | ||
| 151 | D | 97.8 | Very high | 97.4 | Very high | 85 Ų | 85 | 42.7 Ų | 42.7 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -77.8 | 165.9 | 170.9 | 68.5 | 74.2 | 0 | 0 | 0 | 112.2 | S153 C154 F155 | D151-S153 VanDerWaalsContact C-N 3.34Å; D151-S153 PolarHBondContact O-N 2.98Å; D151-S153 WeakPolarHBondContact OD1-CA 3.09Å; D151-S153 WeakPolarHBondContact OD1-CB 3.45Å; D151-S153 PolarHBondContact OD1-N 3.34Å; D151-C154 PolarHBondContact O-N 3.28Å; D151-C154 PolarHBondContact OD1-N 3.11Å; D151-C154 PolarHBondContact OD2-SG 2.77Å; D151-F155 WeakPolarHBondContact O-CB 3.27Å; D151-F155 PolarHBondContact O-N 2.77Å |
| 152 | W | 98.5 | Very high | 97.4 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 13% | 0.133 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.3 | -41.1 | -177.7 | 167.2 | -113.6 | 0 | 0 | 0 | 113.3 | A133 V134 F137 F155 L156 H263 F264 | A133-W152 HydrophobicContact CB-CH2 4.24Å; V134-W152 HydrophobicContact CB-CH2 4.37Å; V134-W152 HydrophobicContact CG2-CH2 3.47Å; V134-W152 VanDerWaalsContact CG2-CH2 3.47Å; V134-W152 HydrophobicContact CG2-CZ2 4.07Å; V134-W152 HydrophobicContact CG2-CZ3 4Å; F137-W152 HydrophobicContact CB-CE3 3.8Å; F137-W152 HydrophobicContact CB-CZ3 3.77Å; F137-W152 AromaticContact CD1-CE3 3.79Å; F137-W152 HydrophobicContact CD1-CE3 3.79Å; F137-W152 HydrophobicContact CD1-CZ3 4.46Å; F137-W152 HydrophobicContact CD2-CE3 4.2Å; F137-W152 HydrophobicContact CE1-CB 4.18Å; F137-W152 HydrophobicContact CE1-CE3 4.4Å; F137-W152 HydrophobicContact CE2-CB 4.38Å; F137-W152 AromaticContact CG-CE3 3.67Å; F137-W152 HydrophobicContact CG-CE3 3.67Å; F137-W152 HydrophobicContact CG-CZ3 4.17Å; F137-W152 HydrophobicContact CZ-CB 4.01Å; W152-F155 HydrophobicContact CE3-CD1 4.44Å; W152-F155 HydrophobicContact CZ3-CD1 4.21Å; W152-F155 PolarHBondContact O-N 3.19Å; W152-L156 HydrophobicContact CH2-CD1 4.18Å; W152-L156 HydrophobicContact CZ2-CB 4.36Å; W152-L156 HydrophobicContact CZ2-CD1 4.19Å; W152-L156 HydrophobicContact CZ2-CD2 4.09Å; W152-L156 HydrophobicContact CZ2-CG 4.45Å; W152-L156 WeakPolarHBondContact O-CB 3.35Å; W152-L156 PolarHBondContact O-N 3.11Å; W152-H263 HydrophobicContact CZ2-CB 4.28Å; W152-H263 PolarHBondContact NE1-O 3.3Å; W152-F264 HydrophobicContact CH2-CD2 4.27Å; W152-F264 AromaticContact CH2-CE2 3.7Å; W152-F264 HydrophobicContact CH2-CE2 3.7Å; W152-F264 HydrophobicContact CH2-CZ 4.14Å; W152-F264 AromaticContact CZ2-CD2 3.65Å; W152-F264 HydrophobicContact CZ2-CD2 3.65Å; W152-F264 HydrophobicContact CZ2-CE1 4.49Å; W152-F264 AromaticContact CZ2-CE2 3.49Å; W152-F264 HydrophobicContact CZ2-CE2 3.49Å; W152-F264 VanDerWaalsContact CZ2-CE2 3.49Å; W152-F264 HydrophobicContact CZ2-CG 4.26Å; W152-F264 AromaticContact CZ2-CZ 3.94Å; W152-F264 HydrophobicContact CZ2-CZ 3.94Å |
| 153 | S | 98.4 | Very high | 97.4 | Very high | 59 Ų | 59 | 43.5 Ų | 43.5 | 41% | 0.413 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.1 | -45.7 | -177.2 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | D151 L156 Q157 Q268 | D151-S153 VanDerWaalsContact C-N 3.34Å; D151-S153 PolarHBondContact O-N 2.98Å; D151-S153 WeakPolarHBondContact OD1-CA 3.09Å; D151-S153 WeakPolarHBondContact OD1-CB 3.45Å; D151-S153 PolarHBondContact OD1-N 3.34Å; S153-L156 PolarHBondContact O-N 3.45Å; S153-Q157 WeakPolarHBondContact O-CG 3.48Å; S153-Q157 PolarHBondContact O-N 3.1Å; S153-Q157 VanDerWaalsContact O-N 3.16Å; S153-Q268 PolarHBondContact OG-NE2 2.88Å |
| 154 | C | 97.8 | Very high | 97.6 | Very high | 64 Ų | 64 | 43.7 Ų | 43.7 | 43% | 0.432 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 174.4 | -69.6 | 0 | 0 | 0 | 0 | 111.4 | D151 L156 Q157 N158 | D151-C154 PolarHBondContact O-N 3.28Å; D151-C154 PolarHBondContact OD1-N 3.11Å; D151-C154 PolarHBondContact OD2-SG 2.77Å; C154-L156 PolarHBondContact O-N 3.05Å; C154-Q157 PolarHBondContact O-N 3.41Å; C154-N158 PolarHBondContact O-N 3.42Å; C154-N158 PolarHBondContact O-ND2 3.45Å |
| 155 | F | 98.7 | Very high | 97.7 | Very high | 12 Ų | 12 | 40 Ų | 40 | 5% | 0.053 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 177.7 | -177.1 | -89.3 | 0 | 0 | 0 | 112.2 | A133 Y136 F137 P149 D151 W152 Q157 N158 F159 V164 | A133-F155 WeakPolarHBondContact O-CE1 3.35Å; Y136-F155 HydrophobicContact CD1-CZ 4.36Å; Y136-F155 HydrophobicContact CD2-CZ 4.41Å; Y136-F155 AromaticContact CG-CZ 3.93Å; Y136-F155 HydrophobicContact CG-CZ 3.93Å; F137-F155 HydrophobicContact CB-CD1 3.61Å; F137-F155 HydrophobicContact CB-CE1 3.73Å; F137-F155 HydrophobicContact CB-CG 4.06Å; F137-F155 HydrophobicContact CB-CZ 4.26Å; F137-F155 HydrophobicContact CD2-CB 3.64Å; F137-F155 HydrophobicContact CD2-CD1 4.02Å; F137-F155 HydrophobicContact CD2-CD2 4.08Å; F137-F155 AromaticContact CD2-CG 3.63Å; F137-F155 HydrophobicContact CD2-CG 3.63Å; F137-F155 HydrophobicContact CE2-CB 4.17Å; F137-F155 HydrophobicContact CG-CD1 4.25Å; F137-F155 HydrophobicContact CG-CG 4.3Å; P149-F155 HydrophobicContact CB-CD2 3.76Å; P149-F155 HydrophobicContact CB-CE2 4.31Å; D151-F155 WeakPolarHBondContact O-CB 3.27Å; D151-F155 PolarHBondContact O-N 2.77Å; W152-F155 HydrophobicContact CE3-CD1 4.44Å; W152-F155 HydrophobicContact CZ3-CD1 4.21Å; W152-F155 PolarHBondContact O-N 3.19Å; F155-Q157 VanDerWaalsContact C-N 3.34Å; F155-Q157 PolarHBondContact O-N 2.96Å; F155-N158 PolarHBondContact O-N 3.12Å; F155-F159 HydrophobicContact CE1-CB 4.28Å; F155-F159 HydrophobicContact CE1-CD2 4.42Å; F155-F159 WeakPolarHBondContact O-CB 3.19Å; F155-F159 PolarHBondContact O-N 2.8Å; F155-V164 HydrophobicContact CE2-CG1 4.11Å; F155-V164 HydrophobicContact CZ-CG1 4.27Å |
| 156 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | -179.8 | -178.7 | 61.8 | 0 | 0 | 0 | 111.5 | A133 W152 S153 C154 F159 M160 F264 Q268 F272 | A133-L156 HydrophobicContact CB-CD1 4.29Å; W152-L156 HydrophobicContact CH2-CD1 4.18Å; W152-L156 HydrophobicContact CZ2-CB 4.36Å; W152-L156 HydrophobicContact CZ2-CD1 4.19Å; W152-L156 HydrophobicContact CZ2-CD2 4.09Å; W152-L156 HydrophobicContact CZ2-CG 4.45Å; W152-L156 WeakPolarHBondContact O-CB 3.35Å; W152-L156 PolarHBondContact O-N 3.11Å; S153-L156 PolarHBondContact O-N 3.45Å; C154-L156 PolarHBondContact O-N 3.05Å; L156-F159 WeakPolarHBondContact O-CB 3.26Å; L156-F159 PolarHBondContact O-N 3.16Å; L156-M160 HydrophobicContact CG-SD 4.2Å; L156-M160 VanDerWaalsContact O-CG 3.3Å; L156-M160 WeakPolarHBondContact O-CG 3.47Å; L156-M160 PolarHBondContact O-N 3.12Å; L156-F264 HydrophobicContact CD1-CE1 3.77Å; L156-F264 HydrophobicContact CD1-CZ 3.65Å; L156-F264 HydrophobicContact CD2-CD1 4.13Å; L156-F264 HydrophobicContact CD2-CE1 3.76Å; L156-F264 HydrophobicContact CD2-CZ 4.31Å; L156-F264 HydrophobicContact CG-CE1 4.43Å; L156-Q268 HydrophobicContact CD2-CB 3.86Å; L156-Q268 HydrophobicContact CD2-CG 4Å; L156-F272 HydrophobicContact CD1-CD2 3.89Å; L156-F272 HydrophobicContact CD1-CE2 4.15Å |
| 157 | Q | 98.5 | Very high | 98 | Very high | 57 Ų | 57 | 39.9 Ų | 39.9 | 27% | 0.266 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.3 | -44 | 175.1 | -68.1 | -60.2 | -45.6 | 0 | 0 | 111.9 | S153 C154 F155 F159 M160 Q161 | S153-Q157 WeakPolarHBondContact O-CG 3.48Å; S153-Q157 PolarHBondContact O-N 3.1Å; S153-Q157 VanDerWaalsContact O-N 3.16Å; C154-Q157 PolarHBondContact O-N 3.41Å; F155-Q157 VanDerWaalsContact C-N 3.34Å; F155-Q157 PolarHBondContact O-N 2.96Å; Q157-F159 VanDerWaalsContact C-N 3.34Å; Q157-F159 PolarHBondContact O-N 3.4Å; Q157-M160 PolarHBondContact O-N 3.18Å; Q157-Q161 WeakPolarHBondContact O-CB 3.46Å; Q157-Q161 VanDerWaalsContact O-CG 3.29Å; Q157-Q161 WeakPolarHBondContact O-CG 3.4Å; Q157-Q161 PolarHBondContact O-N 3.47Å |
| 158 | N | 98.5 | Very high | 98.1 | Very high | 61 Ų | 61 | 39 Ų | 39 | 33% | 0.326 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 175.6 | -74.8 | -25.9 | 0 | 0 | 0 | 111.8 | C154 F155 Q161 G162 K163 V164 | C154-N158 PolarHBondContact O-N 3.42Å; C154-N158 PolarHBondContact O-ND2 3.45Å; F155-N158 PolarHBondContact O-N 3.12Å; N158-Q161 CarbonylContact O-C 3.46Å; N158-Q161 PolarHBondContact O-N 2.67Å; N158-G162 PolarHBondContact O-N 3.12Å; N158-G162 VanDerWaalsContact O-N 3.08Å; N158-K163 HydrophobicContact CB-CB 4.12Å; N158-K163 PolarHBondContact O-N 2.96Å; N158-V164 HydrophobicContact CB-CG1 4.32Å |
| 159 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 175.5 | 179.4 | -85 | 0 | 0 | 0 | 111.5 | Y43 A129 A133 Y136 F155 L156 Q157 Q161 G162 V164 W169 F272 | Y43-F159 AromaticContact CE1-CE2 3.83Å; Y43-F159 HydrophobicContact CE1-CE2 3.83Å; Y43-F159 HydrophobicContact CE1-CZ 4.43Å; A129-F159 HydrophobicContact CB-CE1 4.48Å; A133-F159 HydrophobicContact CB-CD1 3.85Å; A133-F159 HydrophobicContact CB-CD2 4.02Å; A133-F159 HydrophobicContact CB-CE1 3.88Å; A133-F159 HydrophobicContact CB-CE2 4.01Å; A133-F159 HydrophobicContact CB-CG 3.93Å; A133-F159 HydrophobicContact CB-CZ 3.95Å; Y136-F159 HydrophobicContact CD1-CD2 4.43Å; Y136-F159 HydrophobicContact CD1-CE2 4.43Å; F155-F159 HydrophobicContact CE1-CB 4.28Å; F155-F159 HydrophobicContact CE1-CD2 4.42Å; F155-F159 WeakPolarHBondContact O-CB 3.19Å; F155-F159 PolarHBondContact O-N 2.8Å; L156-F159 WeakPolarHBondContact O-CB 3.26Å; L156-F159 PolarHBondContact O-N 3.16Å; Q157-F159 VanDerWaalsContact C-N 3.34Å; Q157-F159 PolarHBondContact O-N 3.4Å; F159-Q161 PolarHBondContact O-N 2.76Å; F159-G162 PolarHBondContact O-N 3.22Å; F159-V164 HydrophobicContact CB-CG1 4.47Å; F159-V164 HydrophobicContact CD2-CG2 4.42Å; F159-W169 HydrophobicContact CE1-CB 4.12Å; F159-W169 HydrophobicContact CE2-CB 4.22Å; F159-W169 HydrophobicContact CZ-CB 3.59Å; F159-W169 AromaticContact CZ-CG 3.87Å; F159-W169 HydrophobicContact CZ-CG 3.87Å; F159-F272 HydrophobicContact CD1-CE2 4.24Å; F159-F272 HydrophobicContact CE1-CE2 4.2Å; F159-F272 HydrophobicContact CE1-CZ 4.38Å |
| 160 | M | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -36.5 | 177.4 | -69.8 | 169.9 | 64.6 | 0 | 0 | 111.6 | L156 Q157 G162 Q271 F272 D275 K279 | L156-M160 HydrophobicContact CG-SD 4.2Å; L156-M160 VanDerWaalsContact O-CG 3.3Å; L156-M160 WeakPolarHBondContact O-CG 3.47Å; L156-M160 PolarHBondContact O-N 3.12Å; Q157-M160 PolarHBondContact O-N 3.18Å; M160-G162 VanDerWaalsContact C-N 3.3Å; M160-G162 PolarHBondContact O-N 3.38Å; M160-Q271 HydrophobicContact CE-CG 4.24Å; M160-F272 HydrophobicContact CG-CD2 3.72Å; M160-F272 HydrophobicContact CG-CE2 3.92Å; M160-F272 HydrophobicContact SD-CD2 3.84Å; M160-D275 HydrophobicContact CE-CB 3.39Å; M160-K279 PolarHBondContact O-NZ 3.31Å |
| 161 | Q | 98.1 | Very high | 98.4 | Very high | 99 Ų | 99 | 36.4 Ų | 36.4 | 46% | 0.463 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -0.5 | 178.1 | -66 | 171.7 | 32.5 | 0 | 0 | 114 | Q157 N158 F159 K163 | Q157-Q161 WeakPolarHBondContact O-CB 3.46Å; Q157-Q161 VanDerWaalsContact O-CG 3.29Å; Q157-Q161 WeakPolarHBondContact O-CG 3.4Å; Q157-Q161 PolarHBondContact O-N 3.47Å; N158-Q161 CarbonylContact O-C 3.46Å; N158-Q161 PolarHBondContact O-N 2.67Å; F159-Q161 PolarHBondContact O-N 2.76Å; Q161-K163 HydrophobicContact CB-CD 4.14Å; Q161-K163 HydrophobicContact CB-CG 4.06Å; Q161-K163 PolarHBondContact O-N 3.37Å; Q161-K163 VanDerWaalsContact OE1-CE 3.32Å |
| 162 | G | 98.3 | Very high | 98.5 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 7% | 0.072 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 17.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S16 N158 F159 M160 V164 G167 | S16-G162 WeakPolarHBondContact CB-O 3.48Å; S16-G162 PolarHBondContact OG-O 3.14Å; N158-G162 PolarHBondContact O-N 3.12Å; N158-G162 VanDerWaalsContact O-N 3.08Å; F159-G162 PolarHBondContact O-N 3.22Å; M160-G162 VanDerWaalsContact C-N 3.3Å; M160-G162 PolarHBondContact O-N 3.38Å; G162-V164 PolarHBondContact O-N 2.89Å; G162-V164 VanDerWaalsContact O-N 3.14Å; G162-G167 CarbonylContact O-C 3.55Å; G162-G167 WeakPolarHBondContact O-CA 3.34Å |
| 163 | K | 98.1 | Very high | 98.5 | Very high | 107 Ų | 107 | 30.8 Ų | 30.8 | 47% | 0.465 | 16% | 0.163 | S | C | . | . | trans | -87.1 | 48 | 177.2 | -65.6 | 178.8 | 179.5 | 166.4 | 0 | 111.5 | L9 N158 Q161 | L9-K163 WeakPolarHBondContact CD2-O 3.13Å; N158-K163 HydrophobicContact CB-CB 4.12Å; N158-K163 PolarHBondContact O-N 2.96Å; Q161-K163 HydrophobicContact CB-CD 4.14Å; Q161-K163 HydrophobicContact CB-CG 4.06Å; Q161-K163 PolarHBondContact O-N 3.37Å; Q161-K163 VanDerWaalsContact OE1-CE 3.32Å | ||
| 164 | V | 98.4 | Very high | 98.5 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 7% | 0.073 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -134.2 | 164.4 | 174.4 | -65.5 | 0 | 0 | 0 | 0 | 108.6 | S16 Y43 Y136 F155 N158 F159 G162 F166 G167 | S16-V164 WeakPolarHBondContact CB-O 3.21Å; Y43-V164 VanDerWaalsContact OH-CG2 3.22Å; Y43-V164 WeakPolarHBondContact OH-CG2 3.46Å; Y136-V164 HydrophobicContact CE1-CB 4.27Å; Y136-V164 HydrophobicContact CE1-CG2 4.04Å; F155-V164 HydrophobicContact CE2-CG1 4.11Å; F155-V164 HydrophobicContact CZ-CG1 4.27Å; N158-V164 HydrophobicContact CB-CG1 4.32Å; F159-V164 HydrophobicContact CB-CG1 4.47Å; F159-V164 HydrophobicContact CD2-CG2 4.42Å; G162-V164 PolarHBondContact O-N 2.89Å; G162-V164 VanDerWaalsContact O-N 3.14Å; V164-F166 PolarHBondContact O-N 2.98Å; V164-G167 PolarHBondContact O-N 3.08Å |
| 165 | V | 98.4 | Very high | 98.5 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 137.4 | -179.6 | -172 | 0 | 0 | 0 | 0 | 109.9 | L9 S16 M17 T18 F21 Y136 L146 P147 G167 | L9-V165 HydrophobicContact CD1-CG2 3.84Å; S16-V165 CarbonylContact O-C 3.56Å; S16-V165 WeakPolarHBondContact O-CA 3.19Å; M17-V165 HydrophobicContact SD-CG1 4.39Å; T18-V165 HydrophobicContact CG2-CG2 3.64Å; F21-V165 HydrophobicContact CD2-CG1 3.6Å; F21-V165 HydrophobicContact CE2-CG1 3.57Å; Y136-V165 WeakPolarHBondContact OH-CB 3.48Å; Y136-V165 PolarHBondContact OH-O 2.93Å; L146-V165 HydrophobicContact CD2-CB 4.03Å; L146-V165 HydrophobicContact CD2-CG1 4.46Å; L146-V165 HydrophobicContact CD2-CG2 3.67Å; P147-V165 HydrophobicContact CG-CG2 4.27Å; V165-G167 VanDerWaalsContact C-N 3.26Å; V165-G167 PolarHBondContact O-N 3.18Å |
| 166 | F | 98.6 | Very high | 98.5 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 2% | 0.022 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 8.3 | -171.2 | -54.6 | -75.2 | 0 | 0 | 0 | 115.5 | S16 M17 F21 P44 F77 E79 H105 L106 V164 | S16-F166 PolarHBondContact O-N 3.39Å; M17-F166 HydrophobicContact CE-CD1 4.15Å; M17-F166 HydrophobicContact CE-CE1 3.92Å; M17-F166 HydrophobicContact SD-CD1 3.8Å; M17-F166 HydrophobicContact SD-CE1 4.1Å; M17-F166 HydrophobicContact SD-CG 4.36Å; F21-F166 AromaticContact CD1-CZ 3.77Å; F21-F166 HydrophobicContact CD1-CZ 3.77Å; F21-F166 HydrophobicContact CD2-CZ 4.36Å; F21-F166 HydrophobicContact CE1-CE2 4.28Å; F21-F166 AromaticContact CE1-CZ 3.91Å; F21-F166 HydrophobicContact CE1-CZ 3.91Å; F21-F166 HydrophobicContact CE2-CE2 4.44Å; F21-F166 AromaticContact CG-CZ 3.99Å; F21-F166 HydrophobicContact CG-CZ 3.99Å; F21-F166 HydrophobicContact CZ-CE2 4.25Å; F21-F166 HydrophobicContact CZ-CZ 4.3Å; P44-F166 HydrophobicContact CG-CB 4.24Å; P44-F166 HydrophobicContact CG-CD2 3.44Å; P44-F166 VanDerWaalsContact CG-CD2 3.44Å; P44-F166 HydrophobicContact CG-CE2 4.18Å; P44-F166 HydrophobicContact CG-CG 4.15Å; F77-F166 HydrophobicContact CZ-CE2 4.32Å; F77-F166 AromaticContact CZ-CZ 3.86Å; F77-F166 HydrophobicContact CZ-CZ 3.86Å; E79-F166 HydrophobicContact CG-CE1 4.13Å; E79-F166 HydrophobicContact CG-CZ 4.19Å; E79-F166 VanDerWaalsContact OE1-CE1 3.29Å; E79-F166 WeakPolarHBondContact OE1-CE1 3.38Å; H105-F166 HydrophobicContact CB-CD1 3.76Å; H105-F166 HydrophobicContact CB-CD2 3.75Å; H105-F166 HydrophobicContact CB-CE1 3.63Å; H105-F166 HydrophobicContact CB-CE2 3.61Å; H105-F166 HydrophobicContact CB-CG 3.82Å; H105-F166 HydrophobicContact CB-CZ 3.56Å; H105-F166 WeakPolarHBondContact O-CD1 3.3Å; L106-F166 HydrophobicContact CD2-CE1 4.22Å; V164-F166 PolarHBondContact O-N 2.98Å |
| 167 | G | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | trans | 78 | -145.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y43 G162 V164 V165 | Y43-G167 PolarHBondContact OH-O 3.5Å; G162-G167 CarbonylContact O-C 3.55Å; G162-G167 WeakPolarHBondContact O-CA 3.34Å; V164-G167 PolarHBondContact O-N 3.08Å; V165-G167 VanDerWaalsContact C-N 3.26Å; V165-G167 PolarHBondContact O-N 3.18Å | ||
| 168 | S | 98.7 | Very high | 98.4 | Very high | 17 Ų | 17 | 33 Ų | 33 | 12% | 0.119 | 17% | 0.166 | C | C | . | . | trans | -74.5 | 122 | -175.8 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | Y170 E171 H172 | S168-Y170 PolarHBondContact O-N 3.07Å; S168-Y170 PolarHBondContact OG-N 3.32Å; S168-E171 PolarHBondContact O-N 3.26Å; S168-E171 PolarHBondContact OG-N 3.28Å; S168-H172 WeakPolarHBondContact O-CB 3.5Å; S168-H172 PolarHBondContact O-N 2.89Å | ||
| 169 | W | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.4 | -41.9 | 170.1 | 173.6 | 93.5 | 0 | 0 | 0 | 111.4 | Y43 R127 A129 F159 H172 V173 F276 M280 F287 | Y43-W169 HydrophobicContact CD1-CB 4.37Å; Y43-W169 AromaticContact CD1-CD1 3.5Å; Y43-W169 HydrophobicContact CD1-CG 4.32Å; Y43-W169 HydrophobicContact CD2-CB 4.4Å; Y43-W169 HydrophobicContact CE1-CB 4.03Å; Y43-W169 AromaticContact CE1-CD1 3.87Å; Y43-W169 HydrophobicContact CE1-CG 4.37Å; Y43-W169 HydrophobicContact CE2-CB 4.07Å; Y43-W169 AromaticContact CG-CD1 3.82Å; R127-W169 VanDerWaalsContact O-CZ2 3.29Å; R127-W169 WeakPolarHBondContact O-CZ2 3.5Å; R127-W169 PolarHBondContact O-NE1 2.72Å; R127-W169 VanDerWaalsContact O-NE1 3.17Å; A129-W169 HydrophobicContact CB-CD2 3.61Å; A129-W169 HydrophobicContact CB-CE3 3.55Å; A129-W169 HydrophobicContact CB-CG 4.41Å; A129-W169 HydrophobicContact CB-CH2 3.71Å; A129-W169 HydrophobicContact CB-CZ2 3.71Å; A129-W169 HydrophobicContact CB-CZ3 3.62Å; F159-W169 HydrophobicContact CE1-CB 4.12Å; F159-W169 HydrophobicContact CE2-CB 4.22Å; F159-W169 HydrophobicContact CZ-CB 3.59Å; F159-W169 AromaticContact CZ-CG 3.87Å; F159-W169 HydrophobicContact CZ-CG 3.87Å; W169-H172 PolarHBondContact O-N 3.17Å; W169-V173 HydrophobicContact CD2-CG1 4.23Å; W169-V173 HydrophobicContact CD2-CG2 4.37Å; W169-V173 HydrophobicContact CE3-CG2 4.22Å; W169-V173 HydrophobicContact CH2-CG2 3.84Å; W169-V173 HydrophobicContact CZ2-CG1 3.86Å; W169-V173 HydrophobicContact CZ2-CG2 4.03Å; W169-V173 HydrophobicContact CZ3-CG2 3.95Å; W169-V173 WeakPolarHBondContact O-CG2 3.49Å; W169-V173 PolarHBondContact O-N 3.37Å; W169-F276 AromaticContact CH2-CE2 3.67Å; W169-F276 HydrophobicContact CH2-CE2 3.67Å; W169-F276 HydrophobicContact CH2-CZ 4.35Å; W169-F276 HydrophobicContact CZ3-CD2 4.17Å; W169-F276 AromaticContact CZ3-CE2 3.56Å; W169-F276 HydrophobicContact CZ3-CE2 3.56Å; W169-F276 HydrophobicContact CZ3-CZ 4.48Å; W169-M280 HydrophobicContact CH2-CE 4.13Å; W169-M280 HydrophobicContact CZ3-CE 4.06Å; W169-M280 HydrophobicContact CZ3-SD 4.02Å; W169-F287 AromaticContact CH2-CD2 3.91Å; W169-F287 HydrophobicContact CH2-CD2 3.91Å; W169-F287 HydrophobicContact CH2-CE1 4.39Å; W169-F287 AromaticContact CH2-CE2 3.6Å; W169-F287 HydrophobicContact CH2-CE2 3.6Å; W169-F287 HydrophobicContact CH2-CG 4.42Å; W169-F287 AromaticContact CH2-CZ 3.87Å; W169-F287 HydrophobicContact CH2-CZ 3.87Å; W169-F287 HydrophobicContact CZ2-CD1 4.32Å; W169-F287 HydrophobicContact CZ2-CD2 4.34Å; W169-F287 AromaticContact CZ2-CE1 3.92Å; W169-F287 HydrophobicContact CZ2-CE1 3.92Å; W169-F287 AromaticContact CZ2-CE2 3.95Å; W169-F287 HydrophobicContact CZ2-CE2 3.95Å; W169-F287 AromaticContact CZ2-CZ 3.71Å; W169-F287 HydrophobicContact CZ2-CZ 3.71Å |
| 170 | Y | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.5 | -49 | -177.7 | -51.1 | -81.3 | 0 | 0 | 0 | 111.5 | S168 H172 V173 N174 D275 F276 K279 M280 | S168-Y170 PolarHBondContact O-N 3.07Å; S168-Y170 PolarHBondContact OG-N 3.32Å; Y170-H172 VanDerWaalsContact C-N 3.33Å; Y170-V173 WeakPolarHBondContact O-CG2 2.95Å; Y170-N174 WeakPolarHBondContact O-CB 3.4Å; Y170-N174 PolarHBondContact O-N 2.6Å; Y170-N174 VanDerWaalsContact O-N 3.15Å; Y170-N174 PolarHBondContact O-ND2 2.8Å; Y170-D275 VanDerWaalsContact CZ-OD2 3.29Å; Y170-D275 PolarHBondContact OH-OD2 3.43Å; Y170-F276 HydrophobicContact CD1-CD2 4.43Å; Y170-F276 HydrophobicContact CE1-CB 4.31Å; Y170-F276 AromaticContact CE1-CD2 3.76Å; Y170-F276 HydrophobicContact CE1-CD2 3.76Å; Y170-F276 HydrophobicContact CE1-CG 4.36Å; Y170-K279 HydrophobicContact CD1-CB 3.84Å; Y170-K279 HydrophobicContact CD1-CD 4.2Å; Y170-K279 HydrophobicContact CD2-CB 4.43Å; Y170-K279 HydrophobicContact CD2-CD 3.38Å; Y170-K279 HydrophobicContact CE1-CB 4.26Å; Y170-K279 HydrophobicContact CE1-CD 4.28Å; Y170-K279 HydrophobicContact CE2-CD 3.45Å; Y170-K279 VanDerWaalsContact CE2-CD 3.45Å; Y170-K279 HydrophobicContact CG-CB 3.93Å; Y170-K279 HydrophobicContact CG-CD 3.77Å; Y170-K279 HydrophobicContact CG-CG 4.49Å; Y170-M280 HydrophobicContact CD1-CG 3.98Å; Y170-M280 HydrophobicContact CD1-SD 3.88Å |
| 171 | E | 98.3 | Very high | 98 | Very high | 122 Ų | 122 | 40.6 Ų | 40.6 | 57% | 0.57 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -67.2 | -39.4 | 178.6 | -66.5 | 175.1 | 174.1 | 0 | 0 | 110.7 | S168 N174 T175 | S168-E171 PolarHBondContact O-N 3.26Å; S168-E171 PolarHBondContact OG-N 3.28Å; E171-N174 PolarHBondContact O-N 3.13Å; E171-T175 WeakPolarHBondContact O-CB 3.46Å; E171-T175 VanDerWaalsContact O-CG2 3.23Å; E171-T175 WeakPolarHBondContact O-CG2 3.34Å; E171-T175 PolarHBondContact O-N 2.66Å; E171-T175 PolarHBondContact O-OG1 3.31Å |
| 172 | H | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61 | -52.4 | -180 | -162 | -71.9 | 0 | 0 | 0 | 111.6 | Y43 H105 Y124 S168 W169 Y170 N174 T175 W176 | Y43-H172 HydrophobicContact CD2-CB 3.73Å; Y43-H172 AromaticContact CD2-CD2 3.91Å; Y43-H172 AromaticContact CD2-CG 3.71Å; Y43-H172 HydrophobicContact CE2-CB 4.47Å; Y43-H172 PolarHBondContact N-CE1 2.8Å; H105-H172 PolarHBondContact O-NE2 3.36Å; H105-H172 VanDerWaalsContact O-NE2 3.1Å; Y124-H172 AromaticContact CE2-CE1 3.75Å; Y124-H172 AromaticContact CE2-ND1 3.84Å; Y124-H172 AromaticContact CZ-ND1 3.8Å; Y124-H172 PolarHBondContact OH-ND1 3.32Å; S168-H172 WeakPolarHBondContact O-CB 3.5Å; S168-H172 PolarHBondContact O-N 2.89Å; W169-H172 PolarHBondContact O-N 3.17Å; Y170-H172 VanDerWaalsContact C-N 3.33Å; H172-N174 PolarHBondContact O-N 2.7Å; H172-T175 PolarHBondContact O-OG1 3.32Å; H172-W176 AromaticContact CE1-CD1 3.36Å; H172-W176 AromaticContact CE1-NE1 3.23Å; H172-W176 PolarHBondContact CE1-NE1 3.08Å; H172-W176 AromaticContact ND1-CD1 3.35Å; H172-W176 VanDerWaalsContact ND1-CD1 3.35Å; H172-W176 AromaticContact ND1-NE1 3.73Å; H172-W176 AromaticContact NE2-NE1 3.72Å; H172-W176 WeakPolarHBondContact O-CB 3.37Å; H172-W176 PolarHBondContact O-N 2.89Å |
| 173 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.3 | -38.8 | -179.7 | -60.5 | 0 | 0 | 0 | 0 | 112.3 | A126 W169 Y170 W177 Y188 M280 L285 F287 | A126-V173 HydrophobicContact CB-CG1 4.43Å; W169-V173 HydrophobicContact CD2-CG1 4.23Å; W169-V173 HydrophobicContact CD2-CG2 4.37Å; W169-V173 HydrophobicContact CE3-CG2 4.22Å; W169-V173 HydrophobicContact CH2-CG2 3.84Å; W169-V173 HydrophobicContact CZ2-CG1 3.86Å; W169-V173 HydrophobicContact CZ2-CG2 4.03Å; W169-V173 HydrophobicContact CZ3-CG2 3.95Å; W169-V173 WeakPolarHBondContact O-CG2 3.49Å; W169-V173 PolarHBondContact O-N 3.37Å; Y170-V173 WeakPolarHBondContact O-CG2 2.95Å; V173-W177 VanDerWaalsContact O-CB 3.31Å; V173-W177 WeakPolarHBondContact O-CB 3.19Å; V173-W177 PolarHBondContact O-N 3.37Å; V173-Y188 PolarHBondContact O-OH 3.18Å; V173-M280 HydrophobicContact CG2-CE 3.98Å; V173-L285 HydrophobicContact CB-CD1 4.17Å; V173-L285 HydrophobicContact CG2-CD1 4.04Å; V173-F287 HydrophobicContact CB-CZ 4.13Å; V173-F287 HydrophobicContact CG1-CZ 4.22Å; V173-F287 HydrophobicContact CG2-CE2 4.3Å; V173-F287 HydrophobicContact CG2-CZ 4.14Å |
| 174 | N | 98.1 | Very high | 97.7 | Very high | 27 Ų | 27 | 40.3 Ų | 40.3 | 14% | 0.144 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69 | -46.9 | 179.9 | -74.4 | -45.4 | 0 | 0 | 0 | 112.1 | Y170 E171 H172 W176 W177 D178 M280 T283 | Y170-N174 WeakPolarHBondContact O-CB 3.4Å; Y170-N174 PolarHBondContact O-N 2.6Å; Y170-N174 VanDerWaalsContact O-N 3.15Å; Y170-N174 PolarHBondContact O-ND2 2.8Å; E171-N174 PolarHBondContact O-N 3.13Å; H172-N174 PolarHBondContact O-N 2.7Å; N174-W176 VanDerWaalsContact C-N 3.32Å; N174-W176 PolarHBondContact O-N 2.92Å; N174-W177 CarbonylContact O-C 3.55Å; N174-W177 WeakPolarHBondContact O-CA 3.45Å; N174-W177 WeakPolarHBondContact O-CB 3.32Å; N174-W177 PolarHBondContact O-N 2.96Å; N174-D178 VanDerWaalsContact O-CG 3.27Å; N174-D178 PolarHBondContact O-N 3.16Å; N174-M280 PolarHBondContact ND2-SD 2.83Å; N174-T283 WeakPolarHBondContact OD1-CB 3.44Å; N174-T283 PolarHBondContact OD1-OG1 2.71Å |
| 175 | T | 97.8 | Very high | 97.7 | Very high | 55 Ų | 55 | 41.9 Ų | 41.9 | 34% | 0.337 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.4 | -38 | -179.6 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | E171 H172 W177 D178 Q179 | E171-T175 WeakPolarHBondContact O-CB 3.46Å; E171-T175 VanDerWaalsContact O-CG2 3.23Å; E171-T175 WeakPolarHBondContact O-CG2 3.34Å; E171-T175 PolarHBondContact O-N 2.66Å; E171-T175 PolarHBondContact O-OG1 3.31Å; H172-T175 PolarHBondContact O-OG1 3.32Å; T175-W177 VanDerWaalsContact C-N 3.34Å; T175-D178 PolarHBondContact O-N 3.03Å; T175-Q179 WeakPolarHBondContact O-CB 3.4Å; T175-Q179 PolarHBondContact O-N 2.8Å |
| 176 | W | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.9 | -32.9 | 172.9 | -83.3 | 102.9 | 0 | 0 | 0 | 112.8 | A41 L106 V108 V111 W116 I122 Y124 H172 N174 K180 L186 Y188 | A41-W176 HydrophobicContact CB-CD2 4.41Å; A41-W176 HydrophobicContact CB-CE3 4.46Å; A41-W176 HydrophobicContact CB-CH2 3.47Å; A41-W176 VanDerWaalsContact CB-CH2 3.47Å; A41-W176 HydrophobicContact CB-CZ2 3.38Å; A41-W176 HydrophobicContact CB-CZ3 4.06Å; L106-W176 PolarHBondContact O-NE1 3.41Å; V108-W176 HydrophobicContact CG2-CB 4.26Å; V108-W176 HydrophobicContact CG2-CD2 3.46Å; V108-W176 VanDerWaalsContact CG2-CD2 3.46Å; V108-W176 HydrophobicContact CG2-CE3 3.86Å; V108-W176 HydrophobicContact CG2-CG 3.61Å; V108-W176 HydrophobicContact CG2-CZ2 4.26Å; V108-W176 HydrophobicContact CG2-CZ3 4.39Å; V111-W176 HydrophobicContact CG2-CH2 3.79Å; V111-W176 HydrophobicContact CG2-CZ2 3.64Å; W116-W176 HydrophobicContact CH2-CH2 4.14Å; W116-W176 AromaticContact CH2-CZ3 3.95Å; W116-W176 HydrophobicContact CH2-CZ3 3.95Å; I122-W176 HydrophobicContact CD1-CH2 4.48Å; I122-W176 HydrophobicContact CD1-CZ3 4.19Å; I122-W176 HydrophobicContact CG2-CH2 4.12Å; I122-W176 HydrophobicContact CG2-CZ3 3.7Å; Y124-W176 HydrophobicContact CD1-CB 4.18Å; Y124-W176 HydrophobicContact CD2-CB 3.76Å; Y124-W176 AromaticContact CD2-CD1 3.92Å; Y124-W176 AromaticContact CD2-CD2 3.41Å; Y124-W176 HydrophobicContact CD2-CD2 3.41Å; Y124-W176 VanDerWaalsContact CD2-CD2 3.41Å; Y124-W176 AromaticContact CD2-CE2 3.93Å; Y124-W176 AromaticContact CD2-CE3 3.82Å; Y124-W176 HydrophobicContact CD2-CE3 3.82Å; Y124-W176 AromaticContact CD2-CG 3.41Å; Y124-W176 HydrophobicContact CD2-CG 3.41Å; Y124-W176 VanDerWaalsContact CD2-CG 3.41Å; Y124-W176 HydrophobicContact CE1-CB 3.95Å; Y124-W176 HydrophobicContact CE1-CG 4.45Å; Y124-W176 HydrophobicContact CE2-CB 3.56Å; Y124-W176 AromaticContact CE2-CD1 3.24Å; Y124-W176 AromaticContact CE2-CD2 3.6Å; Y124-W176 HydrophobicContact CE2-CD2 3.6Å; Y124-W176 AromaticContact CE2-CE2 3.92Å; Y124-W176 HydrophobicContact CE2-CE3 4.45Å; Y124-W176 AromaticContact CE2-CG 3.15Å; Y124-W176 HydrophobicContact CE2-CG 3.15Å; Y124-W176 AromaticContact CE2-NE1 3.66Å; Y124-W176 HydrophobicContact CG-CB 4.06Å; Y124-W176 HydrophobicContact CG-CD2 4.29Å; Y124-W176 HydrophobicContact CG-CE3 4.39Å; Y124-W176 HydrophobicContact CG-CG 4.19Å; Y124-W176 AromaticContact CZ-CD1 3.82Å; Y124-W176 AromaticContact CZ-CG 3.72Å; H172-W176 AromaticContact CE1-CD1 3.36Å; H172-W176 AromaticContact CE1-NE1 3.23Å; H172-W176 PolarHBondContact CE1-NE1 3.08Å; H172-W176 AromaticContact ND1-CD1 3.35Å; H172-W176 VanDerWaalsContact ND1-CD1 3.35Å; H172-W176 AromaticContact ND1-NE1 3.73Å; H172-W176 AromaticContact NE2-NE1 3.72Å; H172-W176 WeakPolarHBondContact O-CB 3.37Å; H172-W176 PolarHBondContact O-N 2.89Å; N174-W176 VanDerWaalsContact C-N 3.32Å; N174-W176 PolarHBondContact O-N 2.92Å; W176-K180 PolarHBondContact O-N 2.87Å; W176-K180 VanDerWaalsContact O-N 3.09Å; W176-L186 HydrophobicContact CE3-CD1 3.9Å; W176-L186 HydrophobicContact CZ3-CD1 4.04Å; W176-Y188 HydrophobicContact CB-CE2 4.18Å |
| 177 | W | 97.9 | Very high | 97.7 | Very high | 60 Ų | 60 | 43.2 Ų | 43.2 | 23% | 0.227 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.9 | -38.8 | 174.2 | -179.9 | -102.2 | 0 | 0 | 0 | 113.1 | V173 N174 T175 Q179 K180 Q181 Y188 L285 | V173-W177 VanDerWaalsContact O-CB 3.31Å; V173-W177 WeakPolarHBondContact O-CB 3.19Å; V173-W177 PolarHBondContact O-N 3.37Å; N174-W177 CarbonylContact O-C 3.55Å; N174-W177 WeakPolarHBondContact O-CA 3.45Å; N174-W177 WeakPolarHBondContact O-CB 3.32Å; N174-W177 PolarHBondContact O-N 2.96Å; T175-W177 VanDerWaalsContact C-N 3.34Å; W177-Q179 VanDerWaalsContact C-N 3.33Å; W177-K180 VanDerWaalsContact O-CB 3.29Å; W177-K180 WeakPolarHBondContact O-CB 3.49Å; W177-K180 PolarHBondContact O-N 3.26Å; W177-Q181 PolarHBondContact O-NE2 2.65Å; W177-Y188 HydrophobicContact CB-CE2 3.88Å; W177-Y188 AromaticContact CE3-CD1 3.74Å; W177-Y188 HydrophobicContact CE3-CD1 3.74Å; W177-Y188 AromaticContact CE3-CD2 3.77Å; W177-Y188 HydrophobicContact CE3-CD2 3.77Å; W177-Y188 AromaticContact CE3-CE1 3.89Å; W177-Y188 HydrophobicContact CE3-CE1 3.89Å; W177-Y188 AromaticContact CE3-CE2 3.91Å; W177-Y188 HydrophobicContact CE3-CE2 3.91Å; W177-Y188 AromaticContact CE3-CG 3.67Å; W177-Y188 HydrophobicContact CE3-CG 3.67Å; W177-Y188 AromaticContact CE3-CZ 3.97Å; W177-Y188 AromaticContact CZ3-CD1 3.83Å; W177-Y188 HydrophobicContact CZ3-CD1 3.83Å; W177-Y188 HydrophobicContact CZ3-CD2 4.49Å; W177-Y188 HydrophobicContact CZ3-CE1 4.27Å; W177-Y188 AromaticContact CZ3-CG 3.94Å; W177-Y188 HydrophobicContact CZ3-CG 3.94Å; W177-L285 HydrophobicContact CB-CD1 3.79Å; W177-L285 HydrophobicContact CB-CD2 4.03Å; W177-L285 HydrophobicContact CB-CG 3.98Å; W177-L285 HydrophobicContact CD2-CD2 3.32Å; W177-L285 HydrophobicContact CD2-CG 3.82Å; W177-L285 HydrophobicContact CE3-CD2 3.34Å; W177-L285 HydrophobicContact CE3-CG 4.33Å; W177-L285 HydrophobicContact CG-CD1 4.02Å; W177-L285 HydrophobicContact CG-CD2 3.64Å; W177-L285 HydrophobicContact CG-CG 3.64Å; W177-L285 HydrophobicContact CH2-CD2 4.41Å; W177-L285 HydrophobicContact CZ2-CD2 4.42Å; W177-L285 HydrophobicContact CZ3-CD2 3.91Å |
| 178 | D | 97.1 | Very high | 97.7 | Very high | 96 Ų | 96 | 43.9 Ų | 43.9 | 51% | 0.513 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.5 | -41.3 | 174 | -65.8 | -21.7 | 0 | 0 | 0 | 110.1 | N174 T175 K180 Q181 | N174-D178 VanDerWaalsContact O-CG 3.27Å; N174-D178 PolarHBondContact O-N 3.16Å; T175-D178 PolarHBondContact O-N 3.03Å; D178-K180 VanDerWaalsContact C-N 3.26Å; D178-K180 PolarHBondContact O-N 2.84Å; D178-Q181 WeakPolarHBondContact O-CB 3.4Å; D178-Q181 PolarHBondContact O-N 2.71Å |
| 179 | Q | 97.7 | Very high | 97.7 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -36.5 | 174 | -169.7 | 63.9 | 20.1 | 0 | 0 | 111.9 | V108 W116 T175 W177 Q181 T182 Y183 L186 | V108-Q179 HydrophobicContact CG1-CB 4.36Å; V108-Q179 HydrophobicContact CG1-CG 4.18Å; V108-Q179 HydrophobicContact CG2-CB 4.2Å; W116-Q179 HydrophobicContact CH2-CG 3.83Å; W116-Q179 HydrophobicContact CZ3-CG 3.91Å; T175-Q179 WeakPolarHBondContact O-CB 3.4Å; T175-Q179 PolarHBondContact O-N 2.8Å; W177-Q179 VanDerWaalsContact C-N 3.33Å; Q179-Q181 PolarHBondContact O-N 3.35Å; Q179-T182 PolarHBondContact O-N 2.92Å; Q179-T182 PolarHBondContact O-OG1 3.01Å; Q179-Y183 VanDerWaalsContact O-CB 3.31Å; Q179-Y183 WeakPolarHBondContact O-CB 3.46Å; Q179-Y183 PolarHBondContact O-N 2.59Å; Q179-L186 HydrophobicContact CB-CD1 4.19Å; Q179-L186 HydrophobicContact CG-CD1 3.98Å |
| 180 | K | 96.3 | Very high | 97.7 | Very high | 60 Ų | 60 | 44.7 Ų | 44.7 | 26% | 0.261 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.7 | -26.6 | 175.8 | 174 | 65.1 | -156.6 | 86.5 | 0 | 113 | W176 W177 D178 L186 | W176-K180 PolarHBondContact O-N 2.87Å; W176-K180 VanDerWaalsContact O-N 3.09Å; W177-K180 VanDerWaalsContact O-CB 3.29Å; W177-K180 WeakPolarHBondContact O-CB 3.49Å; W177-K180 PolarHBondContact O-N 3.26Å; D178-K180 VanDerWaalsContact C-N 3.26Å; D178-K180 PolarHBondContact O-N 2.84Å; K180-L186 HydrophobicContact CB-CD1 4.4Å; K180-L186 HydrophobicContact CB-CD2 3.99Å; K180-L186 HydrophobicContact CD-CB 3.97Å; K180-L186 HydrophobicContact CD-CD2 3.72Å; K180-L186 HydrophobicContact CD-CG 4.39Å; K180-L186 WeakPolarHBondContact CD-O 3.36Å; K180-L186 WeakPolarHBondContact CE-O 3.29Å; K180-L186 HydrophobicContact CG-CD2 4.34Å; K180-L186 PolarHBondContact NZ-O 3.18Å |
| 181 | Q | 95.1 | Very high | 97.7 | Very high | 122 Ų | 122 | 45.2 Ų | 45.2 | 57% | 0.57 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -74.2 | -31.6 | 179.8 | -52.1 | -49.9 | -48.4 | 0 | 0 | 112.3 | W177 D178 Q179 | W177-Q181 PolarHBondContact O-NE2 2.65Å; D178-Q181 WeakPolarHBondContact O-CB 3.4Å; D178-Q181 PolarHBondContact O-N 2.71Å; Q179-Q181 PolarHBondContact O-N 3.35Å |
| 182 | T | 95.6 | Very high | 97.7 | Very high | 115 Ų | 115 | 39.4 Ų | 39.4 | 71% | 0.706 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -105 | -24.3 | -175.4 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | Q179 | Q179-T182 PolarHBondContact O-N 2.92Å; Q179-T182 PolarHBondContact O-OG1 3.01Å |
| 183 | Y | 97.3 | Very high | 97.7 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | trans | -107.5 | 102.6 | -178.1 | -167.1 | -112.6 | 0 | 0 | 0 | 111.3 | W116 R119 S120 I122 Q179 N185 L186 | W116-Y183 HydrophobicContact CE3-CD1 4.16Å; W116-Y183 HydrophobicContact CE3-CD2 4.22Å; W116-Y183 HydrophobicContact CE3-CE1 4.09Å; W116-Y183 HydrophobicContact CE3-CE2 4.1Å; W116-Y183 HydrophobicContact CE3-CG 4.26Å; W116-Y183 AromaticContact CZ3-CD1 3.82Å; W116-Y183 HydrophobicContact CZ3-CD1 3.82Å; W116-Y183 HydrophobicContact CZ3-CE1 4.01Å; W116-Y183 HydrophobicContact CZ3-CG 4.14Å; R119-Y183 WeakPolarHBondContact CA-OH 3.35Å; R119-Y183 PolarHBondContact O-OH 2.67Å; S120-Y183 PolarHBondContact N-OH 2.82Å; S120-Y183 VanDerWaalsContact N-OH 3.15Å; S120-Y183 PolarHBondContact O-OH 3.28Å; I122-Y183 HydrophobicContact CD1-CD1 4.16Å; I122-Y183 HydrophobicContact CD1-CE1 3.71Å; I122-Y183 HydrophobicContact CG1-CE1 4.03Å; Q179-Y183 VanDerWaalsContact O-CB 3.31Å; Q179-Y183 WeakPolarHBondContact O-CB 3.46Å; Q179-Y183 PolarHBondContact O-N 2.59Å; Y183-N185 HydrophobicContact CD1-CB 4.38Å; Y183-N185 HydrophobicContact CE1-CB 3.71Å; Y183-N185 PolarHBondContact O-N 3.41Å; Y183-L186 HydrophobicContact CD1-CB 3.98Å; Y183-L186 WeakPolarHBondContact O-CB 3.45Å; Y183-L186 PolarHBondContact O-N 2.77Å | ||
| 184 | S | 95.3 | Very high | 97.6 | Very high | 74 Ų | 74 | 41.2 Ų | 41.2 | 52% | 0.517 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28.5 | -175.6 | 63.6 | 0 | 0 | 0 | 0 | 113.9 | L186 | S184-L186 PolarHBondContact O-N 2.7Å; S184-L186 VanDerWaalsContact O-N 3.14Å |
| 185 | N | 97.7 | Very high | 97.6 | Very high | 45 Ų | 45 | 42.2 Ų | 42.2 | 24% | 0.241 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 33.1 | -177.6 | -67.3 | 1.7 | 0 | 0 | 0 | 112 | R119 I122 Y183 | R119-N185 PolarHBondContact O-ND2 2.84Å; I122-N185 PolarHBondContact N-O 3.42Å; Y183-N185 HydrophobicContact CD1-CB 4.38Å; Y183-N185 HydrophobicContact CE1-CB 3.71Å; Y183-N185 PolarHBondContact O-N 3.41Å |
| 186 | L | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126.1 | 175.3 | -158.1 | 161.6 | 0 | 0 | 0 | 109.1 | I122 W176 Q179 K180 Y183 S184 Y188 | I122-L186 HydrophobicContact CB-CG 4.11Å; I122-L186 HydrophobicContact CG2-CG 4.17Å; I122-L186 CarbonylContact O-C 3.49Å; I122-L186 WeakPolarHBondContact O-CA 3.43Å; W176-L186 HydrophobicContact CE3-CD1 3.9Å; W176-L186 HydrophobicContact CZ3-CD1 4.04Å; Q179-L186 HydrophobicContact CB-CD1 4.19Å; Q179-L186 HydrophobicContact CG-CD1 3.98Å; K180-L186 HydrophobicContact CB-CD1 4.4Å; K180-L186 HydrophobicContact CB-CD2 3.99Å; K180-L186 HydrophobicContact CD-CB 3.97Å; K180-L186 HydrophobicContact CD-CD2 3.72Å; K180-L186 HydrophobicContact CD-CG 4.39Å; K180-L186 WeakPolarHBondContact CD-O 3.36Å; K180-L186 WeakPolarHBondContact CE-O 3.29Å; K180-L186 HydrophobicContact CG-CD2 4.34Å; K180-L186 PolarHBondContact NZ-O 3.18Å; Y183-L186 HydrophobicContact CD1-CB 3.98Å; Y183-L186 WeakPolarHBondContact O-CB 3.45Å; Y183-L186 PolarHBondContact O-N 2.77Å; S184-L186 PolarHBondContact O-N 2.7Å; S184-L186 VanDerWaalsContact O-N 3.14Å; L186-Y188 HydrophobicContact CD2-CD2 4.35Å |
| 187 | H | 98.6 | Very high | 97.6 | Very high | 34 Ų | 34 | 48.6 Ų | 48.6 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.7 | 169.8 | -172.4 | 61.9 | 0 | 0 | 0 | 109.4 | I122 Y124 M189 F208 | I122-H187 PolarHBondContact O-N 3.46Å; Y124-H187 PolarHBondContact N-O 3.1Å; H187-M189 WeakPolarHBondContact CD2-CG 3.45Å; H187-M189 VanDerWaalsContact CD2-SD 3.59Å; H187-M189 WeakPolarHBondContact NE2-CG 3.34Å; H187-F208 HydrophobicContact CB-CB 4.26Å; H187-F208 HydrophobicContact CB-CD1 3.42Å; H187-F208 VanDerWaalsContact CB-CD1 3.42Å; H187-F208 HydrophobicContact CB-CD2 3.8Å; H187-F208 HydrophobicContact CB-CE1 3.56Å; H187-F208 HydrophobicContact CB-CE2 3.91Å; H187-F208 HydrophobicContact CB-CG 3.55Å; H187-F208 HydrophobicContact CB-CZ 3.8Å; H187-F208 AromaticContact CG-CG 3.92Å |
| 188 | Y | 98.6 | Very high | 97.5 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 8% | 0.078 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.6 | -177.1 | -163.8 | -70 | 0 | 0 | 0 | 108.4 | Y124 A126 V173 W176 W177 L186 F190 L285 | Y124-Y188 HydrophobicContact CD1-CD1 4.33Å; Y124-Y188 AromaticContact CD1-CD2 3.44Å; Y124-Y188 HydrophobicContact CD1-CD2 3.44Å; Y124-Y188 VanDerWaalsContact CD1-CD2 3.44Å; Y124-Y188 HydrophobicContact CD1-CE1 4.1Å; Y124-Y188 AromaticContact CD1-CE2 3.14Å; Y124-Y188 HydrophobicContact CD1-CE2 3.14Å; Y124-Y188 HydrophobicContact CD1-CG 4.03Å; Y124-Y188 AromaticContact CD1-CZ 3.52Å; Y124-Y188 HydrophobicContact CE1-CD2 4.15Å; Y124-Y188 HydrophobicContact CE1-CE1 4.3Å; Y124-Y188 AromaticContact CE1-CE2 3.37Å; Y124-Y188 HydrophobicContact CE1-CE2 3.37Å; Y124-Y188 AromaticContact CE1-CZ 3.46Å; Y124-Y188 VanDerWaalsContact CE1-CZ 3.46Å; Y124-Y188 WeakPolarHBondContact CE1-OH 3.06Å; Y124-Y188 HydrophobicContact CG-CD2 4.09Å; Y124-Y188 HydrophobicContact CG-CE2 4.1Å; A126-Y188 HydrophobicContact CB-CE1 3.57Å; A126-Y188 WeakPolarHBondContact CB-OH 3.44Å; V173-Y188 PolarHBondContact O-OH 3.18Å; W176-Y188 HydrophobicContact CB-CE2 4.18Å; W177-Y188 HydrophobicContact CB-CE2 3.88Å; W177-Y188 AromaticContact CE3-CD1 3.74Å; W177-Y188 HydrophobicContact CE3-CD1 3.74Å; W177-Y188 AromaticContact CE3-CD2 3.77Å; W177-Y188 HydrophobicContact CE3-CD2 3.77Å; W177-Y188 AromaticContact CE3-CE1 3.89Å; W177-Y188 HydrophobicContact CE3-CE1 3.89Å; W177-Y188 AromaticContact CE3-CE2 3.91Å; W177-Y188 HydrophobicContact CE3-CE2 3.91Å; W177-Y188 AromaticContact CE3-CG 3.67Å; W177-Y188 HydrophobicContact CE3-CG 3.67Å; W177-Y188 AromaticContact CE3-CZ 3.97Å; W177-Y188 AromaticContact CZ3-CD1 3.83Å; W177-Y188 HydrophobicContact CZ3-CD1 3.83Å; W177-Y188 HydrophobicContact CZ3-CD2 4.49Å; W177-Y188 HydrophobicContact CZ3-CE1 4.27Å; W177-Y188 AromaticContact CZ3-CG 3.94Å; W177-Y188 HydrophobicContact CZ3-CG 3.94Å; L186-Y188 HydrophobicContact CD2-CD2 4.35Å; Y188-F190 HydrophobicContact CD1-CE2 4.14Å; Y188-F190 HydrophobicContact CD1-CZ 4.07Å; Y188-F190 AromaticContact CE1-CE1 3.91Å; Y188-F190 HydrophobicContact CE1-CE1 3.91Å; Y188-F190 HydrophobicContact CE1-CE2 4.25Å; Y188-F190 AromaticContact CE1-CZ 3.74Å; Y188-F190 HydrophobicContact CE1-CZ 3.74Å; Y188-L285 HydrophobicContact CE1-CD2 3.87Å |
| 189 | M | 98.2 | Very high | 97.5 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 159.9 | -175.9 | -54.4 | 178.1 | 74.6 | 0 | 0 | 110.7 | V123 Y124 V125 A126 H187 L194 E201 L205 | V123-M189 HydrophobicContact CG1-SD 3.92Å; Y124-M189 PolarHBondContact O-N 3.02Å; V125-M189 WeakPolarHBondContact CA-O 3.36Å; V125-M189 HydrophobicContact CG2-CB 4.37Å; A126-M189 PolarHBondContact N-O 3.32Å; H187-M189 WeakPolarHBondContact CD2-CG 3.45Å; H187-M189 VanDerWaalsContact CD2-SD 3.59Å; H187-M189 WeakPolarHBondContact NE2-CG 3.34Å; M189-L194 HydrophobicContact CE-CD1 4.35Å; M189-L194 HydrophobicContact CE-CD2 3.99Å; M189-L194 HydrophobicContact CE-CG 4.2Å; M189-E201 HydrophobicContact CE-CB 3.9Å; M189-E201 WeakPolarHBondContact CE-OE2 3.32Å; M189-L205 HydrophobicContact CE-CB 4.41Å; M189-L205 HydrophobicContact SD-CD1 4.2Å |
| 190 | F | 98.8 | Very high | 97.4 | Very high | 32 Ų | 32 | 45.6 Ų | 45.6 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136 | 172.7 | -61.8 | -91.2 | 0 | 0 | 0 | 110.4 | A126 Y188 E192 D193 L194 L285 F287 | A126-F190 HydrophobicContact CB-CD1 4.21Å; A126-F190 HydrophobicContact CB-CE1 4.39Å; A126-F190 CarbonylContact O-C 3.54Å; A126-F190 WeakPolarHBondContact O-CA 3.47Å; Y188-F190 HydrophobicContact CD1-CE2 4.14Å; Y188-F190 HydrophobicContact CD1-CZ 4.07Å; Y188-F190 AromaticContact CE1-CE1 3.91Å; Y188-F190 HydrophobicContact CE1-CE1 3.91Å; Y188-F190 HydrophobicContact CE1-CE2 4.25Å; Y188-F190 AromaticContact CE1-CZ 3.74Å; Y188-F190 HydrophobicContact CE1-CZ 3.74Å; F190-E192 PolarHBondContact O-N 2.82Å; F190-D193 HydrophobicContact CB-CB 4.35Å; F190-D193 PolarHBondContact O-N 3.02Å; F190-L194 PolarHBondContact O-N 3.18Å; F190-L194 VanDerWaalsContact O-N 3.16Å; F190-L285 HydrophobicContact CE1-CD2 4.09Å; F190-L285 HydrophobicContact CZ-CD2 3.81Å; F190-F287 AromaticContact CD1-CD1 3.99Å; F190-F287 HydrophobicContact CD1-CD1 3.99Å; F190-F287 AromaticContact CD1-CE1 3.87Å; F190-F287 HydrophobicContact CD1-CE1 3.87Å; F190-F287 HydrophobicContact CE1-CD1 4.1Å; F190-F287 AromaticContact CE1-CE1 3.8Å; F190-F287 HydrophobicContact CE1-CE1 3.8Å; F190-F287 HydrophobicContact CE1-CZ 4.13Å |
| 191 | Y | 98.8 | Very high | 97.5 | Very high | 14 Ų | 14 | 43 Ų | 43 | 6% | 0.055 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -35 | 175.4 | 178.8 | -93.8 | 0 | 0 | 0 | 111.2 | W50 A126 R127 L194 I195 G255 V257 | W50-Y191 AromaticContact CE3-CD2 4Å; W50-Y191 HydrophobicContact CE3-CD2 4Å; W50-Y191 AromaticContact CE3-CE2 3.59Å; W50-Y191 HydrophobicContact CE3-CE2 3.59Å; W50-Y191 HydrophobicContact CZ3-CD2 4.1Å; W50-Y191 AromaticContact CZ3-CE2 3.71Å; W50-Y191 HydrophobicContact CZ3-CE2 3.71Å; A126-Y191 WeakPolarHBondContact O-CB 3.24Å; A126-Y191 PolarHBondContact O-N 3.22Å; R127-Y191 HydrophobicContact CB-CG 4.3Å; R127-Y191 HydrophobicContact CG-CD1 3.86Å; R127-Y191 HydrophobicContact CG-CG 3.95Å; Y191-L194 WeakPolarHBondContact O-CB 3.29Å; Y191-L194 PolarHBondContact O-N 2.86Å; Y191-I195 HydrophobicContact CD1-CG1 4Å; Y191-I195 HydrophobicContact CE1-CD1 3.93Å; Y191-I195 HydrophobicContact CE1-CG1 3.55Å; Y191-I195 HydrophobicContact CE2-CD1 4.44Å; Y191-I195 WeakPolarHBondContact O-CG1 3.48Å; Y191-I195 PolarHBondContact O-N 2.94Å; Y191-G255 VanDerWaalsContact OH-C 3.29Å; Y191-G255 WeakPolarHBondContact OH-CA 3.39Å; Y191-V257 HydrophobicContact CD1-CG2 4.22Å; Y191-V257 HydrophobicContact CE1-CG2 4.23Å |
| 192 | E | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 178 | -64.9 | 68.2 | -150.4 | 0 | 0 | 111.7 | R127 N128 F190 L194 I195 E196 V257 R288 I291 | R127-E192 WeakPolarHBondContact CG-OE1 3.32Å; N128-E192 WeakPolarHBondContact CB-OE1 3.24Å; N128-E192 PolarHBondContact N-OE1 3.43Å; N128-E192 PolarHBondContact ND2-OE1 3.09Å; F190-E192 PolarHBondContact O-N 2.82Å; E192-L194 VanDerWaalsContact C-N 3.32Å; E192-L194 PolarHBondContact O-N 2.99Å; E192-I195 PolarHBondContact O-N 3.02Å; E192-E196 PolarHBondContact O-N 3.26Å; E192-V257 HydrophobicContact CB-CG2 4.32Å; E192-V257 HydrophobicContact CG-CG1 3.96Å; E192-V257 HydrophobicContact CG-CG2 3.98Å; E192-R288 HydrophobicContact CB-CB 4.31Å; E192-R288 HydrophobicContact CG-CB 4.12Å; E192-R288 VanDerWaalsContact CG-O 3.28Å; E192-R288 WeakPolarHBondContact CG-O 3.16Å; E192-I291 HydrophobicContact CB-CG2 4.49Å |
| 193 | D | 98.6 | Very high | 97.8 | Very high | 38 Ų | 38 | 34 Ų | 34 | 20% | 0.203 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -39.3 | 176.8 | -57.5 | -3.8 | 0 | 0 | 0 | 110.6 | F190 I195 E196 D197 E201 R288 | F190-D193 HydrophobicContact CB-CB 4.35Å; F190-D193 PolarHBondContact O-N 3.02Å; D193-I195 VanDerWaalsContact C-N 3.29Å; D193-I195 PolarHBondContact O-N 3.31Å; D193-E196 PolarHBondContact O-N 3.47Å; D193-D197 CarbonylContact O-C 3.46Å; D193-D197 PolarHBondContact O-N 3.14Å; D193-E201 HydrophobicContact CB-CG 3.89Å; D193-R288 IonicContact OD1-CZ 2.62Å; D193-R288 IonicContact OD1-NE 3.65Å; D193-R288 IonicContact OD1-NH2 2.74Å; D193-R288 PolarHBondContact OD1-NH2 3.03Å |
| 194 | L | 97.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.3 | -35.2 | 174.9 | -81.8 | 164.5 | 0 | 0 | 0 | 112.6 | W50 I54 V125 M189 F190 Y191 E192 S198 E201 | W50-L194 HydrophobicContact CE3-CB 4.15Å; W50-L194 HydrophobicContact CE3-CD1 4.4Å; W50-L194 HydrophobicContact CH2-CB 3.79Å; W50-L194 VanDerWaalsContact CH2-O 3.24Å; W50-L194 WeakPolarHBondContact CH2-O 3.42Å; W50-L194 HydrophobicContact CZ3-CB 3.53Å; I54-L194 HydrophobicContact CD1-CD2 4.38Å; V125-L194 HydrophobicContact CG1-CD1 4.16Å; M189-L194 HydrophobicContact CE-CD1 4.35Å; M189-L194 HydrophobicContact CE-CD2 3.99Å; M189-L194 HydrophobicContact CE-CG 4.2Å; F190-L194 PolarHBondContact O-N 3.18Å; F190-L194 VanDerWaalsContact O-N 3.16Å; Y191-L194 WeakPolarHBondContact O-CB 3.29Å; Y191-L194 PolarHBondContact O-N 2.86Å; E192-L194 VanDerWaalsContact C-N 3.32Å; E192-L194 PolarHBondContact O-N 2.99Å; L194-S198 VanDerWaalsContact O-CA 3.32Å; L194-S198 WeakPolarHBondContact O-CA 3.3Å; L194-S198 VanDerWaalsContact O-CB 3.31Å; L194-S198 WeakPolarHBondContact O-CB 3.41Å; L194-S198 PolarHBondContact O-N 3.04Å; L194-E201 HydrophobicContact CD2-CB 3.53Å; L194-E201 HydrophobicContact CD2-CG 4.15Å; L194-E201 HydrophobicContact CG-CB 4.07Å; L194-E201 HydrophobicContact CG-CG 4.15Å |
| 195 | I | 98.1 | Very high | 97.9 | Very high | 48 Ų | 48 | 34.7 Ų | 34.7 | 25% | 0.246 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -75.1 | -40.4 | 176.9 | -63.3 | -75 | 0 | 0 | 0 | 111.1 | W50 Y191 E192 D193 G255 V257 I291 | W50-I195 HydrophobicContact CH2-CD1 3.48Å; W50-I195 VanDerWaalsContact CH2-CD1 3.48Å; W50-I195 HydrophobicContact CH2-CG1 4Å; W50-I195 HydrophobicContact CZ3-CD1 3.46Å; W50-I195 VanDerWaalsContact CZ3-CD1 3.46Å; W50-I195 HydrophobicContact CZ3-CG1 3.81Å; Y191-I195 HydrophobicContact CD1-CG1 4Å; Y191-I195 HydrophobicContact CE1-CD1 3.93Å; Y191-I195 HydrophobicContact CE1-CG1 3.55Å; Y191-I195 HydrophobicContact CE2-CD1 4.44Å; Y191-I195 WeakPolarHBondContact O-CG1 3.48Å; Y191-I195 PolarHBondContact O-N 2.94Å; E192-I195 PolarHBondContact O-N 3.02Å; D193-I195 VanDerWaalsContact C-N 3.29Å; D193-I195 PolarHBondContact O-N 3.31Å; I195-G255 WeakPolarHBondContact CD1-O 3.48Å; I195-V257 HydrophobicContact CB-CG2 4.1Å; I195-V257 HydrophobicContact CG1-CG2 4.02Å; I195-V257 HydrophobicContact CG2-CG2 4.34Å; I195-I291 HydrophobicContact CB-CD1 4.03Å; I195-I291 HydrophobicContact CG2-CD1 3.18Å |
| 196 | E | 97.9 | Very high | 97.9 | Very high | 113 Ų | 113 | 32.8 Ų | 32.8 | 53% | 0.528 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -68.9 | -49.4 | -178.8 | -177.7 | 176.9 | -120.7 | 0 | 0 | 112.3 | E192 D193 R288 | E192-E196 PolarHBondContact O-N 3.26Å; D193-E196 PolarHBondContact O-N 3.47Å; E196-R288 IonicContact OE1-CZ 2.8Å; E196-R288 IonicContact OE1-NH1 3.68Å; E196-R288 PolarHBondContact OE1-NH1 3.31Å; E196-R288 IonicContact OE2-CZ 3.93Å; E196-R288 IonicContact OE2-NH1 3.83Å; E196-R288 PolarHBondContact OE2-NH1 2.79Å; E196-R288 IonicContact OE2-NH2 3.4Å; E196-R288 PolarHBondContact OE2-NH2 2.81Å |
| 197 | D | 97.4 | Very high | 97.9 | Very high | 75 Ų | 75 | 37.3 Ų | 37.3 | 40% | 0.401 | 20% | 0.196 | S | C | . | . | trans | -145.1 | 80.3 | 177.9 | -169.3 | -17.4 | 0 | 0 | 0 | 111.6 | D193 G199 Q200 E201 | D193-D197 CarbonylContact O-C 3.46Å; D193-D197 PolarHBondContact O-N 3.14Å; D197-G199 PolarHBondContact O-N 3.08Å; D197-G199 PolarHBondContact OD1-N 3.5Å; D197-G199 VanDerWaalsContact OD1-N 3.12Å; D197-Q200 HydrophobicContact CB-CB 4.08Å; D197-Q200 VanDerWaalsContact CG-CB 3.42Å; D197-Q200 PolarHBondContact O-N 2.96Å; D197-Q200 PolarHBondContact OD1-N 2.9Å; D197-Q200 WeakPolarHBondContact OD2-CB 3.22Å; D197-E201 PolarHBondContact O-N 2.78Å; D197-E201 VanDerWaalsContact O-N 3.1Å | ||
| 198 | S | 96.3 | Very high | 97.9 | Very high | 38 Ų | 38 | 38.1 Ų | 38.1 | 27% | 0.266 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -56.2 | -32.5 | 175.8 | 65.9 | 0 | 0 | 0 | 0 | 113.6 | L194 I202 | L194-S198 VanDerWaalsContact O-CA 3.32Å; L194-S198 WeakPolarHBondContact O-CA 3.3Å; L194-S198 VanDerWaalsContact O-CB 3.31Å; L194-S198 WeakPolarHBondContact O-CB 3.41Å; L194-S198 PolarHBondContact O-N 3.04Å; S198-I202 WeakPolarHBondContact O-CB 3.4Å; S198-I202 VanDerWaalsContact O-CD1 3.31Å; S198-I202 WeakPolarHBondContact O-CD1 3.48Å; S198-I202 WeakPolarHBondContact O-CG1 3.21Å; S198-I202 PolarHBondContact O-N 3.05Å |
| 199 | G | 96.4 | Very high | 97.9 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 12% | 0.124 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.5 | -41.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D197 S203 | D197-G199 PolarHBondContact O-N 3.08Å; D197-G199 PolarHBondContact OD1-N 3.5Å; D197-G199 VanDerWaalsContact OD1-N 3.12Å; G199-S203 WeakPolarHBondContact O-CB 3.43Å; G199-S203 PolarHBondContact O-N 2.93Å; G199-S203 VanDerWaalsContact O-N 3.07Å; G199-S203 PolarHBondContact O-OG 3.06Å |
| 200 | Q | 97 | Very high | 97.8 | Very high | 91 Ų | 91 | 40.6 Ų | 40.6 | 43% | 0.425 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.3 | -45.4 | 174.1 | -177.2 | 173.2 | 69 | 0 | 0 | 111.4 | D197 I202 S203 R204 | D197-Q200 HydrophobicContact CB-CB 4.08Å; D197-Q200 VanDerWaalsContact CG-CB 3.42Å; D197-Q200 PolarHBondContact O-N 2.96Å; D197-Q200 PolarHBondContact OD1-N 2.9Å; D197-Q200 WeakPolarHBondContact OD2-CB 3.22Å; Q200-I202 PolarHBondContact O-N 3.41Å; Q200-S203 WeakPolarHBondContact O-CB 3.21Å; Q200-S203 PolarHBondContact O-N 2.86Å; Q200-S203 VanDerWaalsContact O-N 3.1Å; Q200-R204 WeakPolarHBondContact O-CG 3.15Å; Q200-R204 PolarHBondContact O-N 3.41Å |
| 201 | E | 98.1 | Very high | 97.7 | Very high | 5 Ų | 5 | 41 Ų | 41 | 2% | 0.023 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -40.8 | 179.2 | -73 | -55.3 | 100.7 | 0 | 0 | 112.6 | M189 D193 L194 D197 S203 R204 L205 | M189-E201 HydrophobicContact CE-CB 3.9Å; M189-E201 WeakPolarHBondContact CE-OE2 3.32Å; D193-E201 HydrophobicContact CB-CG 3.89Å; L194-E201 HydrophobicContact CD2-CB 3.53Å; L194-E201 HydrophobicContact CD2-CG 4.15Å; L194-E201 HydrophobicContact CG-CB 4.07Å; L194-E201 HydrophobicContact CG-CG 4.15Å; D197-E201 PolarHBondContact O-N 2.78Å; D197-E201 VanDerWaalsContact O-N 3.1Å; E201-S203 VanDerWaalsContact C-N 3.27Å; E201-S203 PolarHBondContact O-N 2.93Å; E201-R204 PolarHBondContact O-N 3.03Å; E201-R204 WeakPolarHBondContact OE1-CD 3.44Å; E201-R204 IonicContact OE1-CZ 2.6Å; E201-R204 IonicContact OE1-NE 2.87Å; E201-R204 IonicContact OE1-NH1 2.63Å; E201-R204 PolarHBondContact OE1-NH1 3.41Å; E201-L205 WeakPolarHBondContact O-CB 3.4Å; E201-L205 PolarHBondContact O-N 3.44Å |
| 202 | I | 97.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 172.6 | -70.4 | 164.1 | 0 | 0 | 0 | 110.7 | I54 L58 S198 Q200 L205 C206 V221 Q222 V225 | I54-I202 HydrophobicContact CD1-CD1 4.38Å; I54-I202 HydrophobicContact CD1-CG1 4.19Å; I54-I202 HydrophobicContact CG1-CD1 4.47Å; I54-I202 HydrophobicContact CG2-CG1 3.98Å; L58-I202 HydrophobicContact CD1-CG2 4.43Å; S198-I202 WeakPolarHBondContact O-CB 3.4Å; S198-I202 VanDerWaalsContact O-CD1 3.31Å; S198-I202 WeakPolarHBondContact O-CD1 3.48Å; S198-I202 WeakPolarHBondContact O-CG1 3.21Å; S198-I202 PolarHBondContact O-N 3.05Å; Q200-I202 PolarHBondContact O-N 3.41Å; I202-L205 PolarHBondContact O-N 2.93Å; I202-C206 PolarHBondContact O-N 3.31Å; I202-C206 PolarHBondContact O-SG 2.92Å; I202-V221 HydrophobicContact CD1-CG1 4.05Å; I202-Q222 HydrophobicContact CD1-CG 4.24Å; I202-V225 HydrophobicContact CD1-CG2 4.26Å |
| 203 | S | 97.5 | Very high | 97.4 | Very high | 44 Ų | 44 | 46.4 Ų | 46.4 | 31% | 0.308 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 178.3 | -60.4 | 0 | 0 | 0 | 0 | 112.4 | G199 Q200 E201 C206 S207 | G199-S203 WeakPolarHBondContact O-CB 3.43Å; G199-S203 PolarHBondContact O-N 2.93Å; G199-S203 VanDerWaalsContact O-N 3.07Å; G199-S203 PolarHBondContact O-OG 3.06Å; Q200-S203 WeakPolarHBondContact O-CB 3.21Å; Q200-S203 PolarHBondContact O-N 2.86Å; Q200-S203 VanDerWaalsContact O-N 3.1Å; E201-S203 VanDerWaalsContact C-N 3.27Å; E201-S203 PolarHBondContact O-N 2.93Å; S203-C206 PolarHBondContact O-N 2.94Å; S203-S207 PolarHBondContact O-N 3.45Å; S203-S207 PolarHBondContact O-OG 3.34Å |
| 204 | R | 98.1 | Very high | 97.2 | Very high | 108 Ų | 108 | 47.8 Ų | 47.8 | 41% | 0.408 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 172.9 | -70.2 | 175.1 | -177.1 | 163.3 | 2.3 | 111.2 | Q200 E201 S207 F208 | Q200-R204 WeakPolarHBondContact O-CG 3.15Å; Q200-R204 PolarHBondContact O-N 3.41Å; E201-R204 PolarHBondContact O-N 3.03Å; E201-R204 WeakPolarHBondContact OE1-CD 3.44Å; E201-R204 IonicContact OE1-CZ 2.6Å; E201-R204 IonicContact OE1-NE 2.87Å; E201-R204 IonicContact OE1-NH1 2.63Å; E201-R204 PolarHBondContact OE1-NH1 3.41Å; R204-S207 WeakPolarHBondContact O-CB 3.44Å; R204-S207 PolarHBondContact O-N 3.12Å; R204-F208 PolarHBondContact O-N 3.41Å |
| 205 | L | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 175.9 | -178.2 | 61.6 | 0 | 0 | 0 | 111.9 | V51 I54 L55 V123 M189 E201 I202 S207 F208 L209 | V51-L205 HydrophobicContact CG2-CD2 4.21Å; I54-L205 HydrophobicContact CG2-CD2 3.93Å; L55-L205 HydrophobicContact CD2-CD1 4.31Å; L55-L205 HydrophobicContact CD2-CD2 3.86Å; L55-L205 HydrophobicContact CD2-CG 4.23Å; L55-L205 HydrophobicContact CG-CD2 4.26Å; V123-L205 HydrophobicContact CG1-CD1 3.99Å; V123-L205 HydrophobicContact CG2-CD1 3.77Å; M189-L205 HydrophobicContact CE-CB 4.41Å; M189-L205 HydrophobicContact SD-CD1 4.2Å; E201-L205 WeakPolarHBondContact O-CB 3.4Å; E201-L205 PolarHBondContact O-N 3.44Å; I202-L205 PolarHBondContact O-N 2.93Å; L205-S207 VanDerWaalsContact C-N 3.33Å; L205-S207 PolarHBondContact O-N 2.85Å; L205-F208 PolarHBondContact O-N 2.85Å; L205-L209 HydrophobicContact CD1-CD1 3.9Å; L205-L209 HydrophobicContact CD1-CG 4.32Å; L205-L209 HydrophobicContact CG-CD1 3.9Å; L205-L209 WeakPolarHBondContact O-CB 3.24Å; L205-L209 VanDerWaalsContact O-CG 3.27Å; L205-L209 WeakPolarHBondContact O-CG 3.28Å; L205-L209 PolarHBondContact O-N 3.01Å |
| 206 | C | 98.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 3% | 0.027 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 175 | -69.3 | 0 | 0 | 0 | 0 | 111.6 | I202 S203 F208 L209 G210 L211 | I202-C206 PolarHBondContact O-N 3.31Å; I202-C206 PolarHBondContact O-SG 2.92Å; S203-C206 PolarHBondContact O-N 2.94Å; C206-F208 PolarHBondContact O-N 3.36Å; C206-L209 CarbonylContact O-C 3.56Å; C206-L209 PolarHBondContact O-N 3.24Å; C206-G210 PolarHBondContact O-N 3.18Å; C206-L211 HydrophobicContact CB-CB 4.14Å; C206-L211 PolarHBondContact O-N 3.17Å |
| 207 | S | 98.1 | Very high | 96.5 | Very high | 97 Ų | 97 | 53.7 Ų | 53.7 | 68% | 0.678 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61 | -43.9 | 178.3 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | S203 R204 L205 L209 G210 | S203-S207 PolarHBondContact O-N 3.45Å; S203-S207 PolarHBondContact O-OG 3.34Å; R204-S207 WeakPolarHBondContact O-CB 3.44Å; R204-S207 PolarHBondContact O-N 3.12Å; L205-S207 VanDerWaalsContact C-N 3.33Å; L205-S207 PolarHBondContact O-N 2.85Å; S207-L209 VanDerWaalsContact C-N 3.33Å; S207-L209 PolarHBondContact O-N 3.48Å; S207-G210 PolarHBondContact O-N 2.9Å |
| 208 | F | 98.3 | Very high | 96.3 | Very high | 52 Ų | 52 | 55 Ų | 55 | 23% | 0.228 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 175 | 167.6 | -109.6 | 0 | 0 | 0 | 112.7 | R121 V123 H187 R204 L205 C206 G210 | R121-F208 HydrophobicContact CB-CE1 4.32Å; R121-F208 HydrophobicContact CB-CZ 4.32Å; V123-F208 HydrophobicContact CG2-CD1 4.48Å; V123-F208 HydrophobicContact CG2-CE1 4.09Å; H187-F208 HydrophobicContact CB-CB 4.26Å; H187-F208 HydrophobicContact CB-CD1 3.42Å; H187-F208 VanDerWaalsContact CB-CD1 3.42Å; H187-F208 HydrophobicContact CB-CD2 3.8Å; H187-F208 HydrophobicContact CB-CE1 3.56Å; H187-F208 HydrophobicContact CB-CE2 3.91Å; H187-F208 HydrophobicContact CB-CG 3.55Å; H187-F208 HydrophobicContact CB-CZ 3.8Å; H187-F208 AromaticContact CG-CG 3.92Å; R204-F208 PolarHBondContact O-N 3.41Å; L205-F208 PolarHBondContact O-N 2.85Å; C206-F208 PolarHBondContact O-N 3.36Å; F208-G210 VanDerWaalsContact C-N 3.32Å |
| 209 | L | 97.4 | Very high | 96.1 | Very high | 9 Ų | 9 | 59.6 Ų | 59.6 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -83.1 | -8.4 | -177.2 | -65.9 | 170.7 | 0 | 0 | 0 | 113.8 | I38 L55 Y59 R121 L205 C206 S207 L211 | I38-L209 HydrophobicContact CD1-CD2 3.93Å; L55-L209 HydrophobicContact CD2-CD1 3.35Å; Y59-L209 HydrophobicContact CE2-CD1 4.16Å; R121-L209 PolarHBondContact NH1-O 2.86Å; L205-L209 HydrophobicContact CD1-CD1 3.9Å; L205-L209 HydrophobicContact CD1-CG 4.32Å; L205-L209 HydrophobicContact CG-CD1 3.9Å; L205-L209 WeakPolarHBondContact O-CB 3.24Å; L205-L209 VanDerWaalsContact O-CG 3.27Å; L205-L209 WeakPolarHBondContact O-CG 3.28Å; L205-L209 PolarHBondContact O-N 3.01Å; C206-L209 CarbonylContact O-C 3.56Å; C206-L209 PolarHBondContact O-N 3.24Å; S207-L209 VanDerWaalsContact C-N 3.33Å; S207-L209 PolarHBondContact O-N 3.48Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 HydrophobicContact CB-CD1 3.99Å; L209-L211 HydrophobicContact CB-CG 3.82Å; L209-L211 HydrophobicContact CD1-CD1 4Å |
| 210 | G | 97.1 | Very high | 96 | Very high | 65 Ų | 65 | 62.5 Ų | 62.5 | 67% | 0.67 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 26.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | C206 S207 F208 | C206-G210 PolarHBondContact O-N 3.18Å; S207-G210 PolarHBondContact O-N 2.9Å; F208-G210 VanDerWaalsContact C-N 3.32Å |
| 211 | L | 97.3 | Very high | 95.9 | Very high | 41 Ų | 41 | 58.3 Ų | 58.3 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | trans | -93 | 141.4 | 179.9 | -60.5 | 177.6 | 0 | 0 | 0 | 111.1 | L58 Y59 C206 L209 | L58-L211 HydrophobicContact CB-CD1 4.1Å; Y59-L211 HydrophobicContact CD2-CD1 4.33Å; Y59-L211 HydrophobicContact CE1-CD1 4.48Å; Y59-L211 HydrophobicContact CE1-CD2 3.87Å; Y59-L211 HydrophobicContact CE2-CD1 3.83Å; C206-L211 HydrophobicContact CB-CB 4.14Å; C206-L211 PolarHBondContact O-N 3.17Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 HydrophobicContact CB-CD1 3.99Å; L209-L211 HydrophobicContact CB-CG 3.82Å; L209-L211 HydrophobicContact CD1-CD1 4Å | ||
| 212 | S | 95.9 | Very high | 95.8 | Very high | 115 Ų | 115 | 61.8 Ų | 61.8 | 80% | 0.804 | 35% | 0.345 | S | S | * | . | trans | -126.1 | 70.6 | 175.1 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 213 | P | 94.4 | Very high | 95.6 | Very high | 13 Ų | 13 | 64.3 Ų | 64.3 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | trans | -66.5 | 144.8 | -179.1 | 27.9 | -34.1 | 0 | 0 | 0 | 110.9 | L58 Q217 R218 | L58-P213 HydrophobicContact CD2-CB 4.24Å; L58-P213 HydrophobicContact CD2-CG 4.14Å; P213-Q217 VanDerWaalsContact CA-OE1 3.28Å; P213-Q217 HydrophobicContact CB-CB 3.99Å; P213-R218 HydrophobicContact CB-CG 4.11Å; P213-R218 HydrophobicContact CG-CG 3.81Å; P213-R218 PolarHBondContact O-NE 3.07Å; P213-R218 PolarHBondContact O-NH2 2.8Å | ||
| 214 | T | 94.3 | Very high | 95.5 | Very high | 67 Ų | 67 | 65.6 Ų | 65.6 | 41% | 0.411 | 37% | 0.366 | S | S | . | . | trans | -65.4 | 166.7 | 175.5 | 79.3 | 0 | 0 | 0 | 0 | 111.2 | E216 Q217 R218 | T214-E216 VanDerWaalsContact C-N 3.27Å; T214-E216 WeakPolarHBondContact CB-OE2 3.4Å; T214-E216 PolarHBondContact O-N 2.73Å; T214-E216 PolarHBondContact OG1-N 3.34Å; T214-E216 PolarHBondContact OG1-OE2 3.19Å; T214-Q217 PolarHBondContact O-N 2.95Å; T214-Q217 PolarHBondContact OG1-N 2.96Å; T214-R218 WeakPolarHBondContact O-CG 3.22Å; T214-R218 PolarHBondContact O-N 2.74Å | ||
| 215 | A | 93.3 | Very high | 95.4 | Very high | 59 Ų | 59 | 60.6 Ų | 60.6 | 49% | 0.488 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58 | -43.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q217 R218 E219 | A215-Q217 PolarHBondContact O-N 2.79Å; A215-R218 WeakPolarHBondContact O-CB 3.4Å; A215-R218 PolarHBondContact O-N 3.18Å; A215-E219 WeakPolarHBondContact O-CG 3.43Å; A215-E219 PolarHBondContact O-N 3.17Å |
| 216 | E | 92.6 | Very high | 95.4 | Very high | 133 Ų | 133 | 63.3 Ų | 63.3 | 62% | 0.621 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64 | -40.9 | 179.1 | -54.6 | 77.3 | -168.5 | 0 | 0 | 111.6 | T214 E219 L220 | T214-E216 VanDerWaalsContact C-N 3.27Å; T214-E216 WeakPolarHBondContact CB-OE2 3.4Å; T214-E216 PolarHBondContact O-N 2.73Å; T214-E216 PolarHBondContact OG1-N 3.34Å; T214-E216 PolarHBondContact OG1-OE2 3.19Å; E216-E219 PolarHBondContact O-N 3.13Å; E216-L220 VanDerWaalsContact O-CB 3.31Å; E216-L220 WeakPolarHBondContact O-CB 3.42Å; E216-L220 PolarHBondContact O-N 3.26Å |
| 217 | Q | 92.7 | Very high | 95.3 | Very high | 95 Ų | 95 | 65.7 Ų | 65.7 | 44% | 0.444 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 175.3 | -73.8 | 178.3 | -32.5 | 0 | 0 | 111.7 | P213 T214 A215 L220 V221 | P213-Q217 VanDerWaalsContact CA-OE1 3.28Å; P213-Q217 HydrophobicContact CB-CB 3.99Å; T214-Q217 PolarHBondContact O-N 2.95Å; T214-Q217 PolarHBondContact OG1-N 2.96Å; A215-Q217 PolarHBondContact O-N 2.79Å; Q217-L220 PolarHBondContact O-N 2.82Å; Q217-V221 WeakPolarHBondContact O-CB 3Å; Q217-V221 WeakPolarHBondContact O-CG2 3.39Å; Q217-V221 PolarHBondContact O-N 3.28Å |
| 218 | R | 93.2 | Very high | 95.3 | Very high | 103 Ų | 103 | 65.8 Ų | 65.8 | 39% | 0.389 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 177.1 | -68.4 | 172.5 | -166.3 | -144.3 | 0.7 | 111.4 | P213 T214 A215 V221 Q222 | P213-R218 HydrophobicContact CB-CG 4.11Å; P213-R218 HydrophobicContact CG-CG 3.81Å; P213-R218 PolarHBondContact O-NE 3.07Å; P213-R218 PolarHBondContact O-NH2 2.8Å; T214-R218 WeakPolarHBondContact O-CG 3.22Å; T214-R218 PolarHBondContact O-N 2.74Å; A215-R218 WeakPolarHBondContact O-CB 3.4Å; A215-R218 PolarHBondContact O-N 3.18Å; R218-V221 PolarHBondContact O-N 3.44Å; R218-Q222 WeakPolarHBondContact O-CB 3.2Å; R218-Q222 VanDerWaalsContact O-CG 3.29Å; R218-Q222 WeakPolarHBondContact O-CG 3.29Å; R218-Q222 PolarHBondContact O-N 3.29Å |
| 219 | E | 93.4 | Very high | 95.2 | Very high | 134 Ų | 134 | 66.9 Ų | 66.9 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.7 | -44.8 | 176.8 | -74 | 177.4 | -174.4 | 0 | 0 | 111.4 | A215 E216 Q222 A223 | A215-E219 WeakPolarHBondContact O-CG 3.43Å; A215-E219 PolarHBondContact O-N 3.17Å; E216-E219 PolarHBondContact O-N 3.13Å; E219-Q222 PolarHBondContact O-N 2.96Å; E219-A223 VanDerWaalsContact O-CB 3.32Å; E219-A223 WeakPolarHBondContact O-CB 3.44Å; E219-A223 PolarHBondContact O-N 2.96Å |
| 220 | L | 93.8 | Very high | 95.2 | Very high | 74 Ų | 74 | 66.7 Ų | 66.7 | 39% | 0.387 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.7 | -50.2 | 176 | 179.1 | 69.6 | 0 | 0 | 0 | 111.5 | E216 Q217 A223 K224 | E216-L220 VanDerWaalsContact O-CB 3.31Å; E216-L220 WeakPolarHBondContact O-CB 3.42Å; E216-L220 PolarHBondContact O-N 3.26Å; Q217-L220 PolarHBondContact O-N 2.82Å; L220-A223 PolarHBondContact O-N 3.25Å; L220-K224 HydrophobicContact CD1-CG 4.14Å; L220-K224 HydrophobicContact CG-CG 4.47Å; L220-K224 WeakPolarHBondContact O-CB 3.42Å; L220-K224 WeakPolarHBondContact O-CG 3.46Å; L220-K224 PolarHBondContact O-N 3.28Å |
| 221 | V | 95.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.018 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.4 | -52.5 | 179.4 | 172.8 | 0 | 0 | 0 | 0 | 109.7 | I54 L57 L58 I202 Q217 R218 A223 K224 V225 | I54-V221 HydrophobicContact CG2-CG1 4.44Å; L57-V221 HydrophobicContact CB-CG2 3.82Å; L57-V221 HydrophobicContact CD1-CG2 4.5Å; L58-V221 HydrophobicContact CD2-CG2 4.06Å; L58-V221 HydrophobicContact CG-CG2 4.35Å; I202-V221 HydrophobicContact CD1-CG1 4.05Å; Q217-V221 WeakPolarHBondContact O-CB 3Å; Q217-V221 WeakPolarHBondContact O-CG2 3.39Å; Q217-V221 PolarHBondContact O-N 3.28Å; R218-V221 PolarHBondContact O-N 3.44Å; V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 PolarHBondContact O-N 3.3Å; V221-K224 PolarHBondContact O-N 2.85Å; V221-K224 VanDerWaalsContact O-N 3.14Å; V221-V225 HydrophobicContact CG1-CG1 4.08Å; V221-V225 HydrophobicContact CG1-CG2 4.45Å; V221-V225 VanDerWaalsContact O-CG1 3.29Å; V221-V225 WeakPolarHBondContact O-CG1 3.24Å; V221-V225 WeakPolarHBondContact O-CG2 3.35Å; V221-V225 PolarHBondContact O-N 3.42Å |
| 222 | Q | 94.5 | Very high | 95.1 | Very high | 78 Ų | 78 | 73.4 Ų | 73.4 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58 | -43.5 | -178.6 | -74 | 178.1 | 16.7 | 0 | 0 | 112.2 | I202 R218 E219 T226 | I202-Q222 HydrophobicContact CD1-CG 4.24Å; R218-Q222 WeakPolarHBondContact O-CB 3.2Å; R218-Q222 VanDerWaalsContact O-CG 3.29Å; R218-Q222 WeakPolarHBondContact O-CG 3.29Å; R218-Q222 PolarHBondContact O-N 3.29Å; E219-Q222 PolarHBondContact O-N 2.96Å; Q222-T226 WeakPolarHBondContact O-CG2 3.38Å |
| 223 | A | 95 | Very high | 95 | Very high | 55 Ų | 55 | 69.9 Ų | 69.9 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | E219 L220 V221 T226 N229 | E219-A223 VanDerWaalsContact O-CB 3.32Å; E219-A223 WeakPolarHBondContact O-CB 3.44Å; E219-A223 PolarHBondContact O-N 2.96Å; L220-A223 PolarHBondContact O-N 3.25Å; V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 PolarHBondContact O-N 3.3Å; A223-T226 PolarHBondContact O-OG1 3.32Å; A223-N229 PolarHBondContact O-ND2 2.66Å |
| 224 | K | 94.7 | Very high | 94.9 | Very high | 72 Ų | 72 | 76.6 Ų | 76.6 | 31% | 0.313 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -74.8 | -32.9 | -174 | -72.2 | -82.5 | 176.3 | 154 | 0 | 113.8 | Y53 L57 E62 L220 V221 T226 | Y53-K224 HydrophobicContact CE1-CB 4.26Å; L57-K224 HydrophobicContact CD1-CB 3.78Å; E62-K224 IonicContact OE1-NZ 3.94Å; E62-K224 VanDerWaalsContact OE2-CE 3.29Å; E62-K224 WeakPolarHBondContact OE2-CE 3.44Å; E62-K224 IonicContact OE2-NZ 3.32Å; E62-K224 PolarHBondContact OE2-NZ 3.19Å; L220-K224 HydrophobicContact CD1-CG 4.14Å; L220-K224 HydrophobicContact CG-CG 4.47Å; L220-K224 WeakPolarHBondContact O-CB 3.42Å; L220-K224 WeakPolarHBondContact O-CG 3.46Å; L220-K224 PolarHBondContact O-N 3.28Å; V221-K224 PolarHBondContact O-N 2.85Å; V221-K224 VanDerWaalsContact O-N 3.14Å; K224-T226 VanDerWaalsContact C-N 3.27Å; K224-T226 PolarHBondContact O-N 3.26Å |
| 225 | V | 96.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 10.3 | -173.7 | -55.1 | 0 | 0 | 0 | 0 | 113.1 | W50 Y53 I54 L57 I202 V221 M230 | W50-V225 PolarHBondContact NE1-O 3.44Å; Y53-V225 HydrophobicContact CD1-CG1 3.91Å; Y53-V225 HydrophobicContact CE1-CG1 4.39Å; I54-V225 HydrophobicContact CD1-CG2 4.42Å; I54-V225 HydrophobicContact CG1-CB 3.92Å; I54-V225 HydrophobicContact CG1-CG1 3.65Å; I54-V225 HydrophobicContact CG1-CG2 4Å; L57-V225 HydrophobicContact CD1-CG1 3.69Å; I202-V225 HydrophobicContact CD1-CG2 4.26Å; V221-V225 HydrophobicContact CG1-CG1 4.08Å; V221-V225 HydrophobicContact CG1-CG2 4.45Å; V221-V225 VanDerWaalsContact O-CG1 3.29Å; V221-V225 WeakPolarHBondContact O-CG1 3.24Å; V221-V225 WeakPolarHBondContact O-CG2 3.35Å; V221-V225 PolarHBondContact O-N 3.42Å; V225-M230 HydrophobicContact CB-SD 4.31Å |
| 226 | T | 97.1 | Very high | 94.9 | Very high | 59 Ų | 59 | 71 Ų | 71 | 36% | 0.362 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -64.7 | 148.8 | 169.1 | 66.9 | 0 | 0 | 0 | 0 | 110.4 | Q222 A223 K224 D228 N229 M230 | Q222-T226 WeakPolarHBondContact O-CG2 3.38Å; A223-T226 PolarHBondContact O-OG1 3.32Å; K224-T226 VanDerWaalsContact C-N 3.27Å; K224-T226 PolarHBondContact O-N 3.26Å; T226-D228 VanDerWaalsContact C-N 3.29Å; T226-D228 PolarHBondContact O-N 3.39Å; T226-N229 PolarHBondContact O-N 2.99Å; T226-N229 WeakPolarHBondContact OG1-CB 3.4Å; T226-N229 PolarHBondContact OG1-N 3.4Å; T226-N229 PolarHBondContact OG1-ND2 3.23Å; T226-M230 WeakPolarHBondContact O-CG 3.32Å; T226-M230 PolarHBondContact O-N 3.02Å |
| 227 | F | 97.4 | Very high | 95 | Very high | 54 Ų | 54 | 65.7 Ų | 65.7 | 24% | 0.237 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.5 | -43.5 | -179 | 176.2 | -101 | 0 | 0 | 0 | 112.4 | M230 K231 M252 G255 | F227-M230 PolarHBondContact O-N 3.36Å; F227-K231 HydrophobicContact CE1-CD 3.9Å; F227-K231 HydrophobicContact CZ-CD 4.21Å; F227-K231 WeakPolarHBondContact O-CB 3.42Å; F227-K231 PolarHBondContact O-N 3.48Å; F227-M252 HydrophobicContact CE2-CB 4.01Å; F227-M252 HydrophobicContact CE2-SD 4.26Å; F227-M252 HydrophobicContact CZ-CB 4.16Å; F227-M252 WeakPolarHBondContact CZ-O 3.36Å; F227-G255 VanDerWaalsContact CD2-CA 3.47Å |
| 228 | D | 97.4 | Very high | 95.1 | Very high | 99 Ų | 99 | 61.4 Ų | 61.4 | 53% | 0.529 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | -178 | -71.7 | -32.1 | 0 | 0 | 0 | 112.3 | T226 K231 Q232 | T226-D228 VanDerWaalsContact C-N 3.29Å; T226-D228 PolarHBondContact O-N 3.39Å; D228-K231 PolarHBondContact O-N 3.49Å; D228-Q232 WeakPolarHBondContact O-CG 3.49Å; D228-Q232 PolarHBondContact O-N 3.25Å |
| 229 | N | 96.5 | Very high | 95 | Very high | 75 Ų | 75 | 59.2 Ų | 59.2 | 40% | 0.401 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 176 | -73.7 | -16.7 | 0 | 0 | 0 | 111.2 | A223 T226 K231 Q232 N233 | A223-N229 PolarHBondContact O-ND2 2.66Å; T226-N229 PolarHBondContact O-N 2.99Å; T226-N229 WeakPolarHBondContact OG1-CB 3.4Å; T226-N229 PolarHBondContact OG1-N 3.4Å; T226-N229 PolarHBondContact OG1-ND2 3.23Å; N229-K231 VanDerWaalsContact C-N 3.26Å; N229-K231 PolarHBondContact O-N 3.16Å; N229-Q232 PolarHBondContact O-N 3.45Å; N229-N233 VanDerWaalsContact O-CB 3.29Å; N229-N233 WeakPolarHBondContact O-CB 3.47Å; N229-N233 PolarHBondContact O-N 3.29Å |
| 230 | M | 97 | Very high | 94.8 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.02 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.1 | -28.2 | 176.7 | -68.5 | -173.9 | 68.2 | 0 | 0 | 113.2 | T49 W50 Y53 V225 T226 F227 T236 M252 | T49-M230 HydrophobicContact CG2-CE 3.98Å; W50-M230 VanDerWaalsContact CD1-SD 3.58Å; W50-M230 HydrophobicContact CG-SD 4.36Å; Y53-M230 HydrophobicContact CD1-CE 3.8Å; Y53-M230 HydrophobicContact CD1-CG 3.85Å; Y53-M230 HydrophobicContact CD1-SD 3.88Å; Y53-M230 HydrophobicContact CE1-CG 4.12Å; Y53-M230 HydrophobicContact CG-CE 4.18Å; V225-M230 HydrophobicContact CB-SD 4.31Å; T226-M230 WeakPolarHBondContact O-CG 3.32Å; T226-M230 PolarHBondContact O-N 3.02Å; F227-M230 PolarHBondContact O-N 3.36Å; M230-T236 WeakPolarHBondContact CA-OG1 3.32Å; M230-T236 HydrophobicContact CE-CG2 4.05Å; M230-T236 PolarHBondContact O-OG1 3.16Å; M230-M252 HydrophobicContact CB-CE 3.97Å; M230-M252 HydrophobicContact CE-CE 3.96Å |
| 231 | K | 97.1 | Very high | 94.6 | Very high | 94 Ų | 94 | 54.4 Ų | 54.4 | 41% | 0.409 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.3 | -40.1 | 175.3 | -179.6 | 177 | -179.8 | -173.4 | 0 | 112.2 | F227 D228 N229 N237 M252 | F227-K231 HydrophobicContact CE1-CD 3.9Å; F227-K231 HydrophobicContact CZ-CD 4.21Å; F227-K231 WeakPolarHBondContact O-CB 3.42Å; F227-K231 PolarHBondContact O-N 3.48Å; D228-K231 PolarHBondContact O-N 3.49Å; N229-K231 VanDerWaalsContact C-N 3.26Å; N229-K231 PolarHBondContact O-N 3.16Å; K231-N237 WeakPolarHBondContact O-CB 3.32Å; K231-N237 PolarHBondContact O-ND2 3.45Å; K231-M252 HydrophobicContact CB-CB 3.85Å; K231-M252 HydrophobicContact CB-CG 4.34Å; K231-M252 HydrophobicContact CG-CB 3.83Å |
| 232 | Q | 95.3 | Very high | 94.4 | Very high | 153 Ų | 153 | 58 Ų | 58 | 72% | 0.715 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -80 | -24.3 | 178.4 | -63.8 | 177.4 | 23.4 | 0 | 0 | 112.5 | D228 N229 K234 | D228-Q232 WeakPolarHBondContact O-CG 3.49Å; D228-Q232 PolarHBondContact O-N 3.25Å; N229-Q232 PolarHBondContact O-N 3.45Å; Q232-K234 PolarHBondContact O-N 2.87Å |
| 233 | N | 93.9 | Very high | 94.3 | Very high | 41 Ų | 41 | 54.4 Ų | 54.4 | 22% | 0.219 | 29% | 0.293 | C | S | . | . | trans | -76.4 | 115.8 | -178.7 | -174.4 | -2.9 | 0 | 0 | 0 | 112.6 | Y53 N229 V235 T236 N237 | Y53-N233 PolarHBondContact OH-ND2 3.39Å; N229-N233 VanDerWaalsContact O-CB 3.29Å; N229-N233 WeakPolarHBondContact O-CB 3.47Å; N229-N233 PolarHBondContact O-N 3.29Å; N233-V235 PolarHBondContact O-N 3.41Å; N233-V235 VanDerWaalsContact OD1-CB 3.24Å; N233-V235 WeakPolarHBondContact OD1-CB 3.47Å; N233-V235 WeakPolarHBondContact OD1-CG2 3.34Å; N233-V235 PolarHBondContact OD1-N 2.82Å; N233-T236 WeakPolarHBondContact CB-OG1 2.89Å; N233-T236 PolarHBondContact O-N 3.06Å; N233-T236 PolarHBondContact O-OG1 3.27Å; N233-N237 WeakPolarHBondContact O-CB 3.02Å; N233-N237 PolarHBondContact O-N 3.44Å; N233-N237 PolarHBondContact O-ND2 2.89Å | ||
| 234 | K | 92.8 | Very high | 94.3 | Very high | 155 Ų | 155 | 52.8 Ų | 52.8 | 67% | 0.674 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.1 | 179.2 | -67.4 | -174.6 | -179.1 | 178.3 | 0 | 113.7 | Q232 T236 N237 | Q232-K234 PolarHBondContact O-N 2.87Å; K234-T236 VanDerWaalsContact C-N 3.33Å; K234-N237 WeakPolarHBondContact CA-OD1 3.4Å |
| 235 | V | 92.5 | Very high | 94.3 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -41.3 | 173.9 | 164.3 | 0 | 0 | 0 | 0 | 111.6 | S67 L71 R74 N233 | S67-V235 WeakPolarHBondContact O-CG2 3.43Å; L71-V235 HydrophobicContact CB-CG1 4.01Å; L71-V235 WeakPolarHBondContact CB-O 3.13Å; L71-V235 PolarHBondContact N-O 3.21Å; R74-V235 VanDerWaalsContact CZ-CG1 3.41Å; N233-V235 PolarHBondContact O-N 3.41Å; N233-V235 VanDerWaalsContact OD1-CB 3.24Å; N233-V235 WeakPolarHBondContact OD1-CB 3.47Å; N233-V235 WeakPolarHBondContact OD1-CG2 3.34Å; N233-V235 PolarHBondContact OD1-N 2.82Å |
| 236 | T | 94.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -22.4 | -166.4 | 50.1 | 0 | 0 | 0 | 0 | 112.9 | Y53 L71 M230 N233 K234 F238 M252 | Y53-T236 HydrophobicContact CD1-CG2 3.74Å; Y53-T236 HydrophobicContact CD2-CG2 3.85Å; Y53-T236 HydrophobicContact CE1-CG2 3.95Å; Y53-T236 HydrophobicContact CE2-CG2 4.09Å; Y53-T236 HydrophobicContact CG-CG2 3.68Å; L71-T236 HydrophobicContact CD2-CG2 4.29Å; M230-T236 WeakPolarHBondContact CA-OG1 3.32Å; M230-T236 HydrophobicContact CE-CG2 4.05Å; M230-T236 PolarHBondContact O-OG1 3.16Å; N233-T236 WeakPolarHBondContact CB-OG1 2.89Å; N233-T236 PolarHBondContact O-N 3.06Å; N233-T236 PolarHBondContact O-OG1 3.27Å; K234-T236 VanDerWaalsContact C-N 3.33Å; T236-F238 WeakPolarHBondContact O-CD2 3.23Å; T236-F238 WeakPolarHBondContact O-CE2 3.46Å; T236-F238 PolarHBondContact O-N 3.41Å; T236-M252 VanDerWaalsContact O-CE 3.22Å; T236-M252 WeakPolarHBondContact O-CE 3.45Å |
| 237 | N | 94.2 | Very high | 94.3 | Very high | 21 Ų | 21 | 57.6 Ų | 57.6 | 11% | 0.112 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -86.1 | -1.1 | -171.3 | 72.2 | 11.6 | 0 | 0 | 0 | 115.3 | K231 N233 K234 S239 Q246 F251 M252 | K231-N237 WeakPolarHBondContact O-CB 3.32Å; K231-N237 PolarHBondContact O-ND2 3.45Å; N233-N237 WeakPolarHBondContact O-CB 3.02Å; N233-N237 PolarHBondContact O-N 3.44Å; N233-N237 PolarHBondContact O-ND2 2.89Å; K234-N237 WeakPolarHBondContact CA-OD1 3.4Å; N237-S239 PolarHBondContact O-N 3.19Å; N237-S239 WeakPolarHBondContact OD1-CB 3.4Å; N237-S239 PolarHBondContact OD1-N 3.25Å; N237-S239 PolarHBondContact OD1-OG 3.2Å; N237-Q246 PolarHBondContact O-NE2 3.09Å; N237-F251 WeakPolarHBondContact O-CB 3.5Å; N237-M252 HydrophobicContact CB-CG 4.06Å |
| 238 | F | 94.6 | Very high | 94.3 | Very high | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | trans | 60.3 | 22.2 | 179.6 | -68 | -105.3 | 0 | 0 | 0 | 114.2 | T49 Q72 T236 T240 V241 M244 Q246 F251 | T49-F238 HydrophobicContact CG2-CE2 3.82Å; Q72-F238 HydrophobicContact CB-CE1 4.03Å; Q72-F238 HydrophobicContact CB-CZ 4.43Å; T236-F238 WeakPolarHBondContact O-CD2 3.23Å; T236-F238 WeakPolarHBondContact O-CE2 3.46Å; T236-F238 PolarHBondContact O-N 3.41Å; F238-T240 PolarHBondContact O-N 3.41Å; F238-V241 HydrophobicContact CB-CG2 4.34Å; F238-V241 HydrophobicContact CD1-CG2 3.94Å; F238-V241 PolarHBondContact O-N 2.8Å; F238-M244 HydrophobicContact CB-SD 3.91Å; F238-M244 HydrophobicContact CD1-CE 4.09Å; F238-M244 HydrophobicContact CD1-SD 4.1Å; F238-M244 HydrophobicContact CG-SD 4.29Å; F238-Q246 PolarHBondContact O-NE2 3Å; F238-F251 HydrophobicContact CB-CB 4.27Å; F238-F251 HydrophobicContact CB-CD1 4.44Å; F238-F251 HydrophobicContact CB-CD2 4.26Å; F238-F251 HydrophobicContact CB-CG 4.07Å; F238-F251 AromaticContact CD2-CD1 3.57Å; F238-F251 HydrophobicContact CD2-CD1 3.57Å; F238-F251 HydrophobicContact CD2-CD2 4.14Å; F238-F251 AromaticContact CD2-CE1 3.44Å; F238-F251 HydrophobicContact CD2-CE1 3.44Å; F238-F251 VanDerWaalsContact CD2-CE1 3.44Å; F238-F251 HydrophobicContact CD2-CE2 4.01Å; F238-F251 AromaticContact CD2-CG 3.94Å; F238-F251 HydrophobicContact CD2-CG 3.94Å; F238-F251 AromaticContact CD2-CZ 3.67Å; F238-F251 HydrophobicContact CD2-CZ 3.67Å; F238-F251 HydrophobicContact CE2-CD1 4.24Å; F238-F251 AromaticContact CE2-CE1 3.63Å; F238-F251 HydrophobicContact CE2-CE1 3.63Å; F238-F251 HydrophobicContact CE2-CE2 4.26Å; F238-F251 AromaticContact CE2-CZ 3.64Å; F238-F251 HydrophobicContact CE2-CZ 3.64Å; F238-F251 HydrophobicContact CG-CD1 4.27Å; F238-F251 HydrophobicContact CG-CD2 4.15Å; F238-F251 HydrophobicContact CG-CE1 4.36Å; F238-F251 HydrophobicContact CG-CE2 4.23Å; F238-F251 HydrophobicContact CG-CG 4.18Å; F238-F251 HydrophobicContact CG-CZ 4.35Å; F238-F251 HydrophobicContact CZ-CZ 4.24Å | ||
| 239 | S | 92.1 | Very high | 94.3 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 40% | 0.399 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18.2 | 179.6 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | N237 | N237-S239 PolarHBondContact O-N 3.19Å; N237-S239 WeakPolarHBondContact OD1-CB 3.4Å; N237-S239 PolarHBondContact OD1-N 3.25Å; N237-S239 PolarHBondContact OD1-OG 3.2Å |
| 240 | T | 89.1 | Confident | 94.4 | Very high | 88 Ų | 88 | 52.6 Ų | 52.6 | 54% | 0.54 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -4.2 | 179.9 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | F238 S242 | F238-T240 PolarHBondContact O-N 3.41Å; T240-S242 PolarHBondContact O-N 3.1Å |
| 241 | V | 90.3 | Very high | 94.4 | Very high | 18 Ų | 18 | 53.9 Ų | 53.9 | 11% | 0.109 | 30% | 0.296 | C | S | . | . | trans | -87.6 | 109.4 | -177.6 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | F238 M243 M244 | F238-V241 HydrophobicContact CB-CG2 4.34Å; F238-V241 HydrophobicContact CD1-CG2 3.94Å; F238-V241 PolarHBondContact O-N 2.8Å; V241-M243 VanDerWaalsContact C-N 3.26Å; V241-M243 HydrophobicContact CG1-CB 4.47Å; V241-M243 PolarHBondContact O-N 3.35Å; V241-M244 HydrophobicContact CB-CB 4.35Å; V241-M244 HydrophobicContact CB-CG 4.29Å; V241-M244 HydrophobicContact CB-SD 4.39Å; V241-M244 HydrophobicContact CG1-CB 4.38Å; V241-M244 HydrophobicContact CG1-CE 4.42Å; V241-M244 HydrophobicContact CG1-CG 3.96Å; V241-M244 HydrophobicContact CG1-SD 4.36Å; V241-M244 PolarHBondContact O-N 3.13Å | ||
| 242 | S | 90.8 | Very high | 94.5 | Very high | 78 Ų | 78 | 50.3 Ų | 50.3 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -28.2 | -174.6 | 57.1 | 0 | 0 | 0 | 0 | 114.8 | T240 M244 | T240-S242 PolarHBondContact O-N 3.1Å; S242-M244 PolarHBondContact O-N 3.17Å |
| 243 | M | 91.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.02 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -6.2 | 177.6 | -70.2 | -69.2 | -77.7 | 0 | 0 | 113.8 | L3 P4 E82 S84 R144 V145 V241 | L3-M243 HydrophobicContact CB-SD 4.47Å; L3-M243 HydrophobicContact CD1-SD 4.43Å; L3-M243 HydrophobicContact CD2-SD 3.84Å; L3-M243 HydrophobicContact CG-SD 4.47Å; P4-M243 HydrophobicContact CG-CE 4.04Å; P4-M243 HydrophobicContact CG-SD 4.33Å; E82-M243 WeakPolarHBondContact OE2-CG 3.38Å; S84-M243 VanDerWaalsContact OG-CG 3.23Å; S84-M243 WeakPolarHBondContact OG-CG 3.29Å; R144-M243 HydrophobicContact CB-CE 3.74Å; R144-M243 HydrophobicContact CB-SD 4.27Å; R144-M243 PolarHBondContact N-O 2.98Å; V145-M243 HydrophobicContact CG2-CB 4.2Å; V145-M243 HydrophobicContact CG2-CE 4.08Å; V241-M243 VanDerWaalsContact C-N 3.26Å; V241-M243 HydrophobicContact CG1-CB 4.47Å; V241-M243 PolarHBondContact O-N 3.35Å |
| 244 | M | 94.4 | Very high | 94.8 | Very high | 20 Ų | 20 | 48 Ų | 48 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -111.3 | 105.9 | -179.1 | -69.9 | -168.9 | -170.6 | 0 | 0 | 110.9 | F139 M142 N143 F238 V241 S242 Q246 F251 | F139-M244 HydrophobicContact CE2-CE 3.84Å; F139-M244 HydrophobicContact CE2-SD 4.21Å; F139-M244 HydrophobicContact CZ-CE 3.98Å; M142-M244 HydrophobicContact CE-CB 3.67Å; M142-M244 HydrophobicContact CE-CG 4.23Å; M142-M244 HydrophobicContact CE-SD 4.33Å; M142-M244 CarbonylContact O-C 3.58Å; M142-M244 WeakPolarHBondContact O-CA 3.44Å; M142-M244 HydrophobicContact SD-CB 3.9Å; M142-M244 HydrophobicContact SD-CG 3.92Å; M142-M244 HydrophobicContact SD-SD 4.19Å; N143-M244 HydrophobicContact CB-CG 4.34Å; F238-M244 HydrophobicContact CB-SD 3.91Å; F238-M244 HydrophobicContact CD1-CE 4.09Å; F238-M244 HydrophobicContact CD1-SD 4.1Å; F238-M244 HydrophobicContact CG-SD 4.29Å; V241-M244 HydrophobicContact CB-CB 4.35Å; V241-M244 HydrophobicContact CB-CG 4.29Å; V241-M244 HydrophobicContact CB-SD 4.39Å; V241-M244 HydrophobicContact CG1-CB 4.38Å; V241-M244 HydrophobicContact CG1-CE 4.42Å; V241-M244 HydrophobicContact CG1-CG 3.96Å; V241-M244 HydrophobicContact CG1-SD 4.36Å; V241-M244 PolarHBondContact O-N 3.13Å; S242-M244 PolarHBondContact O-N 3.17Å; M244-Q246 PolarHBondContact O-N 3.34Å; M244-Q246 VanDerWaalsContact O-N 3.12Å; M244-F251 HydrophobicContact SD-CD2 4.03Å |
| 245 | N | 95.9 | Very high | 94.9 | Very high | 79 Ų | 79 | 41.6 Ų | 41.6 | 42% | 0.422 | 24% | 0.244 | S | C | . | . | trans | -83.4 | 89.6 | 177.7 | -169.8 | -4.9 | 0 | 0 | 0 | 111.7 | M142 S247 V248 | M142-N245 WeakPolarHBondContact CB-O 3.34Å; M142-N245 PolarHBondContact O-N 3.41Å; N245-S247 PolarHBondContact O-N 2.95Å; N245-S247 VanDerWaalsContact O-N 3.12Å; N245-S247 PolarHBondContact OD1-N 3.09Å; N245-S247 PolarHBondContact OD1-OG 3.23Å; N245-V248 HydrophobicContact CB-CG2 4.19Å; N245-V248 PolarHBondContact O-N 3.12Å; N245-V248 VanDerWaalsContact O-N 3.09Å | ||
| 246 | Q | 96.1 | Very high | 95.1 | Very high | 50 Ų | 50 | 46.4 Ų | 46.4 | 23% | 0.234 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.4 | -177.3 | -60.8 | -83.6 | -0.7 | 0 | 0 | 113.9 | M142 N237 F238 M244 S249 | M142-Q246 HydrophobicContact CE-CG 4.41Å; N237-Q246 PolarHBondContact O-NE2 3.09Å; F238-Q246 PolarHBondContact O-NE2 3Å; M244-Q246 PolarHBondContact O-N 3.34Å; M244-Q246 VanDerWaalsContact O-N 3.12Å; Q246-S249 CarbonylContact O-C 3.31Å; Q246-S249 VanDerWaalsContact O-C 3.31Å |
| 247 | S | 96.7 | Very high | 95.3 | Very high | 106 Ų | 106 | 47.1 Ų | 47.1 | 74% | 0.741 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -25.3 | 177 | 71.3 | 0 | 0 | 0 | 0 | 113.2 | N245 | N245-S247 PolarHBondContact O-N 2.95Å; N245-S247 VanDerWaalsContact O-N 3.12Å; N245-S247 PolarHBondContact OD1-N 3.09Å; N245-S247 PolarHBondContact OD1-OG 3.23Å |
| 248 | V | 97.3 | Very high | 95.5 | Very high | 58 Ų | 58 | 46.9 Ų | 46.9 | 35% | 0.352 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -46.3 | 173.3 | 173 | 0 | 0 | 0 | 0 | 110.3 | R141 M142 N245 | R141-V248 HydrophobicContact CB-CG1 3.83Å; M142-V248 HydrophobicContact CB-CB 4.34Å; N245-V248 HydrophobicContact CB-CG2 4.19Å; N245-V248 PolarHBondContact O-N 3.12Å; N245-V248 VanDerWaalsContact O-N 3.09Å |
| 249 | S | 97.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -159.2 | 129.1 | 170.8 | -161.8 | 0 | 0 | 0 | 0 | 109 | M142 Q246 | M142-S249 WeakPolarHBondContact CB-O 3.39Å; M142-S249 WeakPolarHBondContact CE-O 3.38Å; M142-S249 WeakPolarHBondContact CG-O 3Å; Q246-S249 CarbonylContact O-C 3.31Å; Q246-S249 VanDerWaalsContact O-C 3.31Å |
| 250 | P | 97.6 | Very high | 96 | Very high | 58 Ų | 58 | 45.2 Ų | 45.2 | 38% | 0.377 | 25% | 0.253 | S | S | . | . | trans | -69.6 | 142.8 | 176.9 | 26.1 | -31.9 | 0 | 0 | 0 | 111 | M252 R253 | P250-M252 VanDerWaalsContact C-N 3.34Å; P250-M252 PolarHBondContact O-N 3.48Å; P250-R253 WeakPolarHBondContact O-CB 3.46Å; P250-R253 PolarHBondContact O-N 3.46Å | ||
| 251 | F | 98.1 | Very high | 96.4 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 13% | 0.132 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -58.7 | -47.3 | 176.7 | -179 | -88.3 | 0 | 0 | 0 | 111.1 | T49 F139 M142 N237 F238 M244 R253 | T49-F251 HydrophobicContact CG2-CE1 4.19Å; T49-F251 WeakPolarHBondContact OG1-CE1 3.3Å; T49-F251 VanDerWaalsContact OG1-CZ 3.28Å; T49-F251 WeakPolarHBondContact OG1-CZ 3.5Å; F139-F251 HydrophobicContact CD2-CD2 4.28Å; F139-F251 HydrophobicContact CD2-CE2 4.47Å; F139-F251 AromaticContact CE2-CD2 3.86Å; F139-F251 HydrophobicContact CE2-CD2 3.86Å; F139-F251 AromaticContact CE2-CE2 3.85Å; F139-F251 HydrophobicContact CE2-CE2 3.85Å; F139-F251 HydrophobicContact CZ-CE2 4.49Å; M142-F251 HydrophobicContact CE-CB 4.16Å; N237-F251 WeakPolarHBondContact O-CB 3.5Å; F238-F251 HydrophobicContact CB-CB 4.27Å; F238-F251 HydrophobicContact CB-CD1 4.44Å; F238-F251 HydrophobicContact CB-CD2 4.26Å; F238-F251 HydrophobicContact CB-CG 4.07Å; F238-F251 AromaticContact CD2-CD1 3.57Å; F238-F251 HydrophobicContact CD2-CD1 3.57Å; F238-F251 HydrophobicContact CD2-CD2 4.14Å; F238-F251 AromaticContact CD2-CE1 3.44Å; F238-F251 HydrophobicContact CD2-CE1 3.44Å; F238-F251 VanDerWaalsContact CD2-CE1 3.44Å; F238-F251 HydrophobicContact CD2-CE2 4.01Å; F238-F251 AromaticContact CD2-CG 3.94Å; F238-F251 HydrophobicContact CD2-CG 3.94Å; F238-F251 AromaticContact CD2-CZ 3.67Å; F238-F251 HydrophobicContact CD2-CZ 3.67Å; F238-F251 HydrophobicContact CE2-CD1 4.24Å; F238-F251 AromaticContact CE2-CE1 3.63Å; F238-F251 HydrophobicContact CE2-CE1 3.63Å; F238-F251 HydrophobicContact CE2-CE2 4.26Å; F238-F251 AromaticContact CE2-CZ 3.64Å; F238-F251 HydrophobicContact CE2-CZ 3.64Å; F238-F251 HydrophobicContact CG-CD1 4.27Å; F238-F251 HydrophobicContact CG-CD2 4.15Å; F238-F251 HydrophobicContact CG-CE1 4.36Å; F238-F251 HydrophobicContact CG-CE2 4.23Å; F238-F251 HydrophobicContact CG-CG 4.18Å; F238-F251 HydrophobicContact CG-CZ 4.35Å; F238-F251 HydrophobicContact CZ-CZ 4.24Å; M244-F251 HydrophobicContact SD-CD2 4.03Å; F251-R253 VanDerWaalsContact C-N 3.32Å; F251-R253 PolarHBondContact O-N 3.48Å; F251-R253 VanDerWaalsContact O-N 3.12Å |
| 252 | M | 98 | Very high | 96.8 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 9% | 0.094 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -83.2 | 76.8 | 170.3 | -65.9 | -64.2 | -172.4 | 0 | 0 | 109.5 | T49 F227 M230 K231 T236 N237 P250 | T49-M252 HydrophobicContact CG2-CE 3.76Å; F227-M252 HydrophobicContact CE2-CB 4.01Å; F227-M252 HydrophobicContact CE2-SD 4.26Å; F227-M252 HydrophobicContact CZ-CB 4.16Å; F227-M252 WeakPolarHBondContact CZ-O 3.36Å; M230-M252 HydrophobicContact CB-CE 3.97Å; M230-M252 HydrophobicContact CE-CE 3.96Å; K231-M252 HydrophobicContact CB-CB 3.85Å; K231-M252 HydrophobicContact CB-CG 4.34Å; K231-M252 HydrophobicContact CG-CB 3.83Å; T236-M252 VanDerWaalsContact O-CE 3.22Å; T236-M252 WeakPolarHBondContact O-CE 3.45Å; N237-M252 HydrophobicContact CB-CG 4.06Å; P250-M252 VanDerWaalsContact C-N 3.34Å; P250-M252 PolarHBondContact O-N 3.48Å |
| 253 | R | 98.1 | Very high | 97.1 | Very high | 35 Ų | 35 | 49.3 Ų | 49.3 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | trans | -77.2 | -63.3 | -168.3 | -163.3 | -174 | 60.9 | 85.1 | 4.7 | 114.8 | P250 F251 D259 | P250-R253 WeakPolarHBondContact O-CB 3.46Å; P250-R253 PolarHBondContact O-N 3.46Å; F251-R253 VanDerWaalsContact C-N 3.32Å; F251-R253 PolarHBondContact O-N 3.48Å; F251-R253 VanDerWaalsContact O-N 3.12Å; R253-D259 IonicContact CZ-OD2 3.15Å; R253-D259 IonicContact NH1-OD2 2.72Å; R253-D259 PolarHBondContact NH1-OD2 3.23Å; R253-D259 IonicContact NH2-OD2 2.67Å; R253-D259 PolarHBondContact NH2-OD2 3.36Å | ||
| 254 | K | 97.4 | Very high | 97.5 | Very high | 110 Ų | 110 | 50 Ų | 50 | 48% | 0.478 | 26% | 0.261 | S | S | . | . | trans | -139.1 | -30.9 | -175.2 | -66.8 | -64.1 | -177.8 | 178.9 | 0 | 115.1 | R256 | K254-R256 VanDerWaalsContact C-N 3.34Å; K254-R256 HydrophobicContact CB-CG 4.24Å; K254-R256 PolarHBondContact O-N 3.21Å | ||
| 255 | G | 96.1 | Very high | 97.7 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 22% | 0.216 | 28% | 0.279 | C | S | . | . | trans | 58.1 | 37.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y191 I195 F227 | Y191-G255 VanDerWaalsContact OH-C 3.29Å; Y191-G255 WeakPolarHBondContact OH-CA 3.39Å; I195-G255 WeakPolarHBondContact CD1-O 3.48Å; F227-G255 VanDerWaalsContact CD2-CA 3.47Å | ||
| 256 | R | 96.8 | Very high | 97.8 | Very high | 109 Ų | 109 | 54.1 Ų | 54.1 | 41% | 0.411 | 29% | 0.29 | S | S | . | . | trans | -136.5 | 162.6 | -176.4 | 70.4 | -177.3 | -178.3 | 177.1 | 3.1 | 112.4 | R127 K254 D259 N262 | R127-R256 PolarHBondContact NH2-O 2.99Å; K254-R256 VanDerWaalsContact C-N 3.34Å; K254-R256 HydrophobicContact CB-CG 4.24Å; K254-R256 PolarHBondContact O-N 3.21Å; R256-D259 HydrophobicContact CG-CB 4.09Å; R256-D259 IonicContact CZ-OD1 3.35Å; R256-D259 IonicContact NE-OD1 3.23Å; R256-D259 PolarHBondContact NE-OD1 2.72Å; R256-D259 IonicContact NH2-OD1 2.67Å; R256-D259 PolarHBondContact NH2-OD1 3.03Å; R256-N262 PolarHBondContact NH2-ND2 3.37Å | ||
| 257 | V | 98.4 | Very high | 97.9 | Very high | 16 Ų | 16 | 55.6 Ų | 55.6 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -90.9 | 141.5 | 167.6 | -173 | 0 | 0 | 0 | 0 | 109.1 | D131 Y191 E192 I195 I291 | D131-V257 WeakPolarHBondContact OD2-CA 3.5Å; Y191-V257 HydrophobicContact CD1-CG2 4.22Å; Y191-V257 HydrophobicContact CE1-CG2 4.23Å; E192-V257 HydrophobicContact CB-CG2 4.32Å; E192-V257 HydrophobicContact CG-CG1 3.96Å; E192-V257 HydrophobicContact CG-CG2 3.98Å; I195-V257 HydrophobicContact CB-CG2 4.1Å; I195-V257 HydrophobicContact CG1-CG2 4.02Å; I195-V257 HydrophobicContact CG2-CG2 4.34Å; V257-I291 HydrophobicContact CB-CD1 4.25Å; V257-I291 HydrophobicContact CB-CG1 4.19Å; V257-I291 HydrophobicContact CB-CG2 4.21Å; V257-I291 HydrophobicContact CG1-CG2 4.3Å; V257-I291 HydrophobicContact CG2-CD1 4.18Å; V257-I291 HydrophobicContact CG2-CG2 4.1Å |
| 258 | G | 98.2 | Very high | 98 | Very high | 15 Ų | 15 | 51.4 Ų | 51.4 | 16% | 0.155 | 27% | 0.274 | C | S | . | . | trans | 92.4 | 6.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | D131 W260 K261 N289 | D131-G258 PolarHBondContact OD2-N 3.07Å; G258-W260 PolarHBondContact O-N 3.32Å; G258-K261 PolarHBondContact O-N 2.98Å; G258-N289 WeakPolarHBondContact CA-O 3.45Å | ||
| 259 | D | 98.3 | Very high | 98.1 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -68.2 | -19.9 | 178.7 | -169.1 | 53.1 | 0 | 0 | 0 | 113 | D131 R253 R256 K261 N262 H263 | D131-D259 PolarHBondContact OD1-N 3.03Å; R253-D259 IonicContact CZ-OD2 3.15Å; R253-D259 IonicContact NH1-OD2 2.72Å; R253-D259 PolarHBondContact NH1-OD2 3.23Å; R253-D259 IonicContact NH2-OD2 2.67Å; R253-D259 PolarHBondContact NH2-OD2 3.36Å; R256-D259 HydrophobicContact CG-CB 4.09Å; R256-D259 IonicContact CZ-OD1 3.35Å; R256-D259 IonicContact NE-OD1 3.23Å; R256-D259 PolarHBondContact NE-OD1 2.72Å; R256-D259 IonicContact NH2-OD1 2.67Å; R256-D259 PolarHBondContact NH2-OD1 3.03Å; D259-K261 PolarHBondContact O-N 3.2Å; D259-N262 PolarHBondContact O-N 3Å; D259-N262 PolarHBondContact O-ND2 2.67Å; D259-N262 PolarHBondContact OD1-ND2 2.67Å; D259-H263 PolarHBondContact O-ND1 3.02Å; D259-H263 IonicContact OD2-CE1 2.66Å; D259-H263 PolarHBondContact OD2-CE1 3.35Å; D259-H263 VanDerWaalsContact OD2-CE1 3.32Å; D259-H263 IonicContact OD2-ND1 3.72Å |
| 260 | W | 98.5 | Very high | 98.1 | Very high | 26 Ų | 26 | 56 Ų | 56 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -53.3 | -31.8 | 173.8 | 69.3 | -94.3 | 0 | 0 | 0 | 113.7 | K130 D131 V134 G258 N262 H263 F264 N269 N289 | K130-W260 HydrophobicContact CB-CB 3.6Å; K130-W260 HydrophobicContact CB-CD2 3.92Å; K130-W260 HydrophobicContact CB-CE3 4.44Å; K130-W260 HydrophobicContact CB-CG 3.52Å; K130-W260 HydrophobicContact CD-CD2 3.48Å; K130-W260 VanDerWaalsContact CD-CD2 3.48Å; K130-W260 HydrophobicContact CD-CE3 3.55Å; K130-W260 HydrophobicContact CD-CG 4.03Å; K130-W260 HydrophobicContact CD-CH2 4.07Å; K130-W260 HydrophobicContact CD-CZ2 4Å; K130-W260 HydrophobicContact CD-CZ3 3.85Å; K130-W260 HydrophobicContact CG-CD2 4.38Å; K130-W260 HydrophobicContact CG-CG 4.46Å; K130-W260 VanDerWaalsContact NZ-CH2 3.33Å; D131-W260 PolarHBondContact OD1-N 2.7Å; V134-W260 HydrophobicContact CG2-CB 4.22Å; G258-W260 PolarHBondContact O-N 3.32Å; W260-N262 PolarHBondContact O-N 3.37Å; W260-N262 VanDerWaalsContact O-N 3.09Å; W260-H263 PolarHBondContact O-N 2.97Å; W260-F264 HydrophobicContact CB-CD2 3.88Å; W260-F264 HydrophobicContact CB-CE2 3.91Å; W260-F264 HydrophobicContact CE3-CB 4.16Å; W260-F264 HydrophobicContact CE3-CD2 4.09Å; W260-F264 HydrophobicContact CE3-CG 4.11Å; W260-F264 WeakPolarHBondContact O-CD2 3.15Å; W260-F264 PolarHBondContact O-N 3.34Å; W260-N269 WeakPolarHBondContact CZ3-OD1 3.37Å; W260-N289 HydrophobicContact CZ2-CB 4.05Å; W260-N289 PolarHBondContact NE1-O 3.29Å |
| 261 | K | 98.3 | Very high | 98.2 | Very high | 110 Ų | 110 | 57.1 Ų | 57.1 | 48% | 0.478 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -59.9 | -22.9 | 177.7 | -64.5 | -177 | -178.6 | -180 | 0 | 113.5 | G258 D259 H263 E290 | G258-K261 PolarHBondContact O-N 2.98Å; D259-K261 PolarHBondContact O-N 3.2Å; K261-H263 VanDerWaalsContact C-N 3.32Å; K261-E290 IonicContact NZ-OE2 3.54Å; K261-E290 PolarHBondContact NZ-OE2 3.12Å |
| 262 | N | 98.2 | Very high | 98.2 | Very high | 110 Ų | 110 | 55.8 Ų | 55.8 | 59% | 0.588 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -86.1 | -1.1 | 177.8 | -55.6 | -63.5 | 0 | 0 | 0 | 113.7 | R256 D259 W260 | R256-N262 PolarHBondContact NH2-ND2 3.37Å; D259-N262 PolarHBondContact O-N 3Å; D259-N262 PolarHBondContact O-ND2 2.67Å; D259-N262 PolarHBondContact OD1-ND2 2.67Å; W260-N262 PolarHBondContact O-N 3.37Å; W260-N262 VanDerWaalsContact O-N 3.09Å |
| 263 | H | 98.1 | Very high | 98.2 | Very high | 50 Ų | 50 | 58.2 Ų | 58.2 | 23% | 0.231 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | -40.1 | -171.4 | -62.1 | 78.3 | 0 | 0 | 0 | 112.4 | V134 H138 W152 D259 W260 K261 | V134-H263 HydrophobicContact CG1-CB 4.49Å; V134-H263 HydrophobicContact CG2-CB 3.68Å; H138-H263 AromaticContact CD2-NE2 3.96Å; H138-H263 AromaticContact NE2-CD2 3.59Å; H138-H263 AromaticContact NE2-NE2 3.04Å; H138-H263 PolarHBondContact NE2-NE2 3.17Å; W152-H263 HydrophobicContact CZ2-CB 4.28Å; W152-H263 PolarHBondContact NE1-O 3.3Å; D259-H263 PolarHBondContact O-ND1 3.02Å; D259-H263 IonicContact OD2-CE1 2.66Å; D259-H263 PolarHBondContact OD2-CE1 3.35Å; D259-H263 VanDerWaalsContact OD2-CE1 3.32Å; D259-H263 IonicContact OD2-ND1 3.72Å; W260-H263 PolarHBondContact O-N 2.97Å; K261-H263 VanDerWaalsContact C-N 3.32Å |
| 264 | F | 98.6 | Very high | 98.2 | Very high | 19 Ų | 19 | 62.9 Ų | 62.9 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | trans | -72.8 | 129.4 | 177.5 | -78.5 | -111.4 | 0 | 0 | 0 | 110.3 | K130 V134 W152 L156 W260 Q268 N269 F272 | K130-F264 HydrophobicContact CB-CE2 4.04Å; K130-F264 HydrophobicContact CB-CZ 4.04Å; K130-F264 HydrophobicContact CG-CZ 4.15Å; V134-F264 HydrophobicContact CG2-CD2 4.24Å; V134-F264 HydrophobicContact CG2-CE2 3.89Å; W152-F264 HydrophobicContact CH2-CD2 4.27Å; W152-F264 AromaticContact CH2-CE2 3.7Å; W152-F264 HydrophobicContact CH2-CE2 3.7Å; W152-F264 HydrophobicContact CH2-CZ 4.14Å; W152-F264 AromaticContact CZ2-CD2 3.65Å; W152-F264 HydrophobicContact CZ2-CD2 3.65Å; W152-F264 HydrophobicContact CZ2-CE1 4.49Å; W152-F264 AromaticContact CZ2-CE2 3.49Å; W152-F264 HydrophobicContact CZ2-CE2 3.49Å; W152-F264 VanDerWaalsContact CZ2-CE2 3.49Å; W152-F264 HydrophobicContact CZ2-CG 4.26Å; W152-F264 AromaticContact CZ2-CZ 3.94Å; W152-F264 HydrophobicContact CZ2-CZ 3.94Å; L156-F264 HydrophobicContact CD1-CE1 3.77Å; L156-F264 HydrophobicContact CD1-CZ 3.65Å; L156-F264 HydrophobicContact CD2-CD1 4.13Å; L156-F264 HydrophobicContact CD2-CE1 3.76Å; L156-F264 HydrophobicContact CD2-CZ 4.31Å; L156-F264 HydrophobicContact CG-CE1 4.43Å; W260-F264 HydrophobicContact CB-CD2 3.88Å; W260-F264 HydrophobicContact CB-CE2 3.91Å; W260-F264 HydrophobicContact CE3-CB 4.16Å; W260-F264 HydrophobicContact CE3-CD2 4.09Å; W260-F264 HydrophobicContact CE3-CG 4.11Å; W260-F264 WeakPolarHBondContact O-CD2 3.15Å; W260-F264 PolarHBondContact O-N 3.34Å; F264-Q268 HydrophobicContact CD1-CB 4.22Å; F264-N269 HydrophobicContact CB-CB 4.36Å; F264-N269 HydrophobicContact CD1-CB 4.37Å; F264-F272 HydrophobicContact CE1-CB 4.02Å; F264-F272 AromaticContact CE1-CD2 3.94Å; F264-F272 HydrophobicContact CE1-CD2 3.94Å; F264-F272 AromaticContact CE1-CG 3.92Å; F264-F272 HydrophobicContact CE1-CG 3.92Å; F264-F272 HydrophobicContact CZ-CD2 4.31Å | ||
| 265 | T | 98.7 | Very high | 98.2 | Very high | 76 Ų | 76 | 59.4 Ų | 59.4 | 47% | 0.466 | 31% | 0.308 | S | S | . | . | trans | -71.7 | 162.8 | 160.5 | 71.7 | 0 | 0 | 0 | 0 | 109.8 | S267 Q268 N269 | T265-S267 VanDerWaalsContact C-N 3.32Å; T265-S267 PolarHBondContact O-N 2.97Å; T265-Q268 VanDerWaalsContact N-OE1 3.1Å; T265-Q268 PolarHBondContact O-N 3.44Å; T265-Q268 WeakPolarHBondContact OG1-CB 3.5Å; T265-Q268 VanDerWaalsContact OG1-CG 3.29Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.47Å; T265-Q268 PolarHBondContact OG1-N 3.46Å; T265-Q268 VanDerWaalsContact OG1-N 3.16Å; T265-N269 WeakPolarHBondContact O-CB 3.18Å; T265-N269 PolarHBondContact O-N 3.45Å | ||
| 266 | V | 98.5 | Very high | 98.3 | Very high | 109 Ų | 109 | 60.4 Ų | 60.4 | 66% | 0.661 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -56 | -48.7 | 176.4 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | Q268 N269 E270 | V266-Q268 PolarHBondContact O-N 3.16Å; V266-N269 WeakPolarHBondContact O-CB 3.45Å; V266-N269 PolarHBondContact O-N 2.9Å; V266-N269 VanDerWaalsContact O-N 3.12Å; V266-E270 WeakPolarHBondContact O-CG 3.41Å; V266-E270 PolarHBondContact O-N 3.37Å |
| 267 | S | 98.5 | Very high | 98.4 | Very high | 80 Ų | 80 | 62.8 Ų | 62.8 | 56% | 0.559 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.1 | -40.3 | 179.1 | 173.7 | 0 | 0 | 0 | 0 | 112.9 | T265 N269 E270 Q271 | T265-S267 VanDerWaalsContact C-N 3.32Å; T265-S267 PolarHBondContact O-N 2.97Å; S267-N269 VanDerWaalsContact C-N 3.3Å; S267-N269 PolarHBondContact O-N 2.95Å; S267-E270 PolarHBondContact O-N 3.39Å; S267-Q271 WeakPolarHBondContact O-CB 3.46Å; S267-Q271 PolarHBondContact O-N 2.83Å |
| 268 | Q | 98.7 | Very high | 98.3 | Very high | 19 Ų | 19 | 66.4 Ų | 66.4 | 9% | 0.089 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 173.9 | -76.5 | 174.6 | -19.2 | 0 | 0 | 111.7 | S153 L156 F264 T265 V266 F272 | S153-Q268 PolarHBondContact OG-NE2 2.88Å; L156-Q268 HydrophobicContact CD2-CB 3.86Å; L156-Q268 HydrophobicContact CD2-CG 4Å; F264-Q268 HydrophobicContact CD1-CB 4.22Å; T265-Q268 VanDerWaalsContact N-OE1 3.1Å; T265-Q268 PolarHBondContact O-N 3.44Å; T265-Q268 WeakPolarHBondContact OG1-CB 3.5Å; T265-Q268 VanDerWaalsContact OG1-CG 3.29Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.47Å; T265-Q268 PolarHBondContact OG1-N 3.46Å; T265-Q268 VanDerWaalsContact OG1-N 3.16Å; V266-Q268 PolarHBondContact O-N 3.16Å; Q268-F272 WeakPolarHBondContact O-CB 3.37Å; Q268-F272 PolarHBondContact O-N 3.29Å |
| 269 | N | 98.8 | Very high | 98.2 | Very high | 40 Ų | 40 | 69.6 Ų | 69.6 | 21% | 0.214 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 178.5 | -177.8 | 68.2 | 0 | 0 | 0 | 112 | K130 W260 F264 T265 V266 S267 F272 E273 | K130-N269 WeakPolarHBondContact CE-OD1 3.29Å; K130-N269 PolarHBondContact NZ-OD1 2.96Å; W260-N269 WeakPolarHBondContact CZ3-OD1 3.37Å; F264-N269 HydrophobicContact CB-CB 4.36Å; F264-N269 HydrophobicContact CD1-CB 4.37Å; T265-N269 WeakPolarHBondContact O-CB 3.18Å; T265-N269 PolarHBondContact O-N 3.45Å; V266-N269 WeakPolarHBondContact O-CB 3.45Å; V266-N269 PolarHBondContact O-N 2.9Å; V266-N269 VanDerWaalsContact O-N 3.12Å; S267-N269 VanDerWaalsContact C-N 3.3Å; S267-N269 PolarHBondContact O-N 2.95Å; N269-F272 PolarHBondContact O-N 2.93Å; N269-E273 WeakPolarHBondContact O-CB 3.35Å; N269-E273 VanDerWaalsContact O-CG 3.32Å; N269-E273 WeakPolarHBondContact O-CG 3.34Å; N269-E273 PolarHBondContact O-N 3.15Å |
| 270 | E | 98.6 | Very high | 98.2 | Very high | 122 Ų | 122 | 70.1 Ų | 70.1 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.1 | -48.3 | 176.5 | -71.1 | 169 | 168.8 | 0 | 0 | 111.4 | V266 S267 F272 E273 E274 | V266-E270 WeakPolarHBondContact O-CG 3.41Å; V266-E270 PolarHBondContact O-N 3.37Å; S267-E270 PolarHBondContact O-N 3.39Å; E270-F272 VanDerWaalsContact C-N 3.31Å; E270-F272 PolarHBondContact O-N 3.22Å; E270-E273 PolarHBondContact O-N 3.41Å; E270-E274 PolarHBondContact O-N 2.93Å; E270-E274 VanDerWaalsContact O-N 3.07Å |
| 271 | Q | 98.5 | Very high | 97.9 | Very high | 81 Ų | 81 | 75.9 Ų | 75.9 | 38% | 0.379 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 176.6 | -171.6 | -171.6 | 3.4 | 0 | 0 | 111.8 | M160 S267 D275 | M160-Q271 HydrophobicContact CE-CG 4.24Å; S267-Q271 WeakPolarHBondContact O-CB 3.46Å; S267-Q271 PolarHBondContact O-N 2.83Å; Q271-D275 PolarHBondContact O-N 2.87Å; Q271-D275 VanDerWaalsContact O-N 3.12Å |
| 272 | F | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 77.8 Ų | 77.8 | 1% | 0.009 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 178.6 | -171.8 | -82.7 | 0 | 0 | 0 | 111.8 | A129 K130 L156 F159 M160 F264 Q268 N269 E270 E274 D275 F276 | A129-F272 HydrophobicContact CB-CE1 4.02Å; A129-F272 HydrophobicContact CB-CZ 3.57Å; K130-F272 HydrophobicContact CD-CD1 4.5Å; K130-F272 HydrophobicContact CG-CD1 3.94Å; K130-F272 HydrophobicContact CG-CE1 3.66Å; K130-F272 HydrophobicContact CG-CZ 4.25Å; L156-F272 HydrophobicContact CD1-CD2 3.89Å; L156-F272 HydrophobicContact CD1-CE2 4.15Å; F159-F272 HydrophobicContact CD1-CE2 4.24Å; F159-F272 HydrophobicContact CE1-CE2 4.2Å; F159-F272 HydrophobicContact CE1-CZ 4.38Å; M160-F272 HydrophobicContact CG-CD2 3.72Å; M160-F272 HydrophobicContact CG-CE2 3.92Å; M160-F272 HydrophobicContact SD-CD2 3.84Å; F264-F272 HydrophobicContact CE1-CB 4.02Å; F264-F272 AromaticContact CE1-CD2 3.94Å; F264-F272 HydrophobicContact CE1-CD2 3.94Å; F264-F272 AromaticContact CE1-CG 3.92Å; F264-F272 HydrophobicContact CE1-CG 3.92Å; F264-F272 HydrophobicContact CZ-CD2 4.31Å; Q268-F272 WeakPolarHBondContact O-CB 3.37Å; Q268-F272 PolarHBondContact O-N 3.29Å; N269-F272 PolarHBondContact O-N 2.93Å; E270-F272 VanDerWaalsContact C-N 3.31Å; E270-F272 PolarHBondContact O-N 3.22Å; F272-E274 VanDerWaalsContact C-N 3.35Å; F272-E274 PolarHBondContact O-N 3.04Å; F272-D275 PolarHBondContact O-N 3.34Å; F272-F276 HydrophobicContact CD1-CB 4.33Å; F272-F276 HydrophobicContact CE1-CB 4.2Å; F272-F276 HydrophobicContact CE1-CD2 4.02Å; F272-F276 HydrophobicContact CE1-CG 4.49Å; F272-F276 WeakPolarHBondContact O-CB 3.47Å; F272-F276 PolarHBondContact O-N 3.45Å |
| 273 | E | 98.3 | Very high | 97.3 | Very high | 69 Ų | 69 | 74.1 Ų | 74.1 | 32% | 0.322 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 178.1 | -76.2 | -65.8 | 160.4 | 0 | 0 | 112.2 | K130 N269 E270 F276 K277 | K130-E273 WeakPolarHBondContact CE-OE1 3.43Å; K130-E273 IonicContact NZ-OE1 2.67Å; K130-E273 PolarHBondContact NZ-OE1 3.07Å; N269-E273 WeakPolarHBondContact O-CB 3.35Å; N269-E273 VanDerWaalsContact O-CG 3.32Å; N269-E273 WeakPolarHBondContact O-CG 3.34Å; N269-E273 PolarHBondContact O-N 3.15Å; E270-E273 PolarHBondContact O-N 3.41Å; E273-F276 PolarHBondContact O-N 2.81Å; E273-K277 VanDerWaalsContact O-CB 3.28Å; E273-K277 WeakPolarHBondContact O-CB 3.43Å; E273-K277 PolarHBondContact O-N 3.02Å |
| 274 | E | 98.3 | Very high | 97.1 | Very high | 134 Ų | 134 | 75.6 Ų | 75.6 | 63% | 0.626 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.9 | -48.3 | 174.7 | -174 | 178.1 | -176.4 | 0 | 0 | 111.7 | E270 F272 K277 N278 | E270-E274 PolarHBondContact O-N 2.93Å; E270-E274 VanDerWaalsContact O-N 3.07Å; F272-E274 VanDerWaalsContact C-N 3.35Å; F272-E274 PolarHBondContact O-N 3.04Å; E274-K277 PolarHBondContact O-N 3.11Å; E274-N278 WeakPolarHBondContact O-CB 3.46Å; E274-N278 PolarHBondContact O-N 3.36Å; E274-N278 VanDerWaalsContact O-N 3.09Å; E274-N278 PolarHBondContact O-ND2 3.04Å; E274-N278 VanDerWaalsContact O-ND2 3.12Å |
| 275 | D | 98.3 | Very high | 96.9 | Very high | 36 Ų | 36 | 75.3 Ų | 75.3 | 19% | 0.193 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 175.7 | -175.9 | 67.9 | 0 | 0 | 0 | 111.8 | M160 Y170 Q271 F272 N278 K279 | M160-D275 HydrophobicContact CE-CB 3.39Å; Y170-D275 VanDerWaalsContact CZ-OD2 3.29Å; Y170-D275 PolarHBondContact OH-OD2 3.43Å; Q271-D275 PolarHBondContact O-N 2.87Å; Q271-D275 VanDerWaalsContact O-N 3.12Å; F272-D275 PolarHBondContact O-N 3.34Å; D275-N278 PolarHBondContact O-N 3.2Å; D275-K279 WeakPolarHBondContact O-CB 3.41Å; D275-K279 WeakPolarHBondContact O-CG 3.35Å; D275-K279 PolarHBondContact O-N 3.2Å; D275-K279 WeakPolarHBondContact OD1-CE 3.39Å; D275-K279 IonicContact OD1-NZ 2.59Å; D275-K279 PolarHBondContact OD1-NZ 3.3Å; D275-K279 IonicContact OD2-NZ 3.37Å; D275-K279 PolarHBondContact OD2-NZ 3.23Å |
| 276 | F | 98.2 | Very high | 96.7 | Very high | 43 Ų | 43 | 77.3 Ų | 77.3 | 19% | 0.189 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 178.8 | -176.7 | -83.3 | 0 | 0 | 0 | 111 | A129 W169 Y170 F272 E273 N278 K279 M280 F287 | A129-F276 HydrophobicContact CB-CD2 4.25Å; A129-F276 HydrophobicContact CB-CE2 4.14Å; W169-F276 AromaticContact CH2-CE2 3.67Å; W169-F276 HydrophobicContact CH2-CE2 3.67Å; W169-F276 HydrophobicContact CH2-CZ 4.35Å; W169-F276 HydrophobicContact CZ3-CD2 4.17Å; W169-F276 AromaticContact CZ3-CE2 3.56Å; W169-F276 HydrophobicContact CZ3-CE2 3.56Å; W169-F276 HydrophobicContact CZ3-CZ 4.48Å; Y170-F276 HydrophobicContact CD1-CD2 4.43Å; Y170-F276 HydrophobicContact CE1-CB 4.31Å; Y170-F276 AromaticContact CE1-CD2 3.76Å; Y170-F276 HydrophobicContact CE1-CD2 3.76Å; Y170-F276 HydrophobicContact CE1-CG 4.36Å; F272-F276 HydrophobicContact CD1-CB 4.33Å; F272-F276 HydrophobicContact CE1-CB 4.2Å; F272-F276 HydrophobicContact CE1-CD2 4.02Å; F272-F276 HydrophobicContact CE1-CG 4.49Å; F272-F276 WeakPolarHBondContact O-CB 3.47Å; F272-F276 PolarHBondContact O-N 3.45Å; E273-F276 PolarHBondContact O-N 2.81Å; F276-N278 VanDerWaalsContact C-N 3.27Å; F276-N278 PolarHBondContact O-N 3.45Å; F276-K279 PolarHBondContact O-N 3Å; F276-M280 HydrophobicContact CD1-CB 4.28Å; F276-M280 HydrophobicContact CD1-CG 4.08Å; F276-M280 HydrophobicContact CD2-CG 4.09Å; F276-M280 HydrophobicContact CE1-CB 4.01Å; F276-M280 HydrophobicContact CE1-CG 3.85Å; F276-M280 HydrophobicContact CE2-CG 3.88Å; F276-M280 HydrophobicContact CG-CG 4.18Å; F276-M280 HydrophobicContact CZ-CB 4.32Å; F276-M280 HydrophobicContact CZ-CE 4.47Å; F276-M280 HydrophobicContact CZ-CG 3.74Å; F276-M280 VanDerWaalsContact O-CB 3.23Å; F276-M280 WeakPolarHBondContact O-CB 3.39Å; F276-M280 WeakPolarHBondContact O-CG 3.23Å; F276-M280 PolarHBondContact O-N 3.12Å; F276-F287 HydrophobicContact CZ-CD2 4.4Å |
| 277 | K | 97.2 | Very high | 96.7 | Very high | 158 Ų | 158 | 73.2 Ų | 73.2 | 69% | 0.687 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.8 | -42.3 | 177.5 | -175.5 | 179.5 | 179.8 | -178.5 | 0 | 111.2 | E273 E274 K281 | E273-K277 VanDerWaalsContact O-CB 3.28Å; E273-K277 WeakPolarHBondContact O-CB 3.43Å; E273-K277 PolarHBondContact O-N 3.02Å; E274-K277 PolarHBondContact O-N 3.11Å; K277-K281 WeakPolarHBondContact O-CB 3.35Å; K277-K281 PolarHBondContact O-N 2.95Å; K277-K281 VanDerWaalsContact O-N 3.12Å |
| 278 | N | 96.8 | Very high | 96.7 | Very high | 92 Ų | 92 | 72.8 Ų | 72.8 | 49% | 0.492 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 179.6 | -74.5 | -33.3 | 0 | 0 | 0 | 112.9 | E274 D275 F276 K281 | E274-N278 WeakPolarHBondContact O-CB 3.46Å; E274-N278 PolarHBondContact O-N 3.36Å; E274-N278 VanDerWaalsContact O-N 3.09Å; E274-N278 PolarHBondContact O-ND2 3.04Å; E274-N278 VanDerWaalsContact O-ND2 3.12Å; D275-N278 PolarHBondContact O-N 3.2Å; F276-N278 VanDerWaalsContact C-N 3.27Å; F276-N278 PolarHBondContact O-N 3.45Å; N278-K281 WeakPolarHBondContact O-CD 3.14Å; N278-K281 WeakPolarHBondContact O-CG 3.42Å |
| 279 | K | 97.1 | Very high | 96.5 | Very high | 82 Ų | 82 | 74 Ų | 74 | 36% | 0.357 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -80.6 | -24.9 | -178.3 | -72 | -179.4 | 179 | 148.4 | 0 | 114 | M160 Y170 D275 F276 | M160-K279 PolarHBondContact O-NZ 3.31Å; Y170-K279 HydrophobicContact CD1-CB 3.84Å; Y170-K279 HydrophobicContact CD1-CD 4.2Å; Y170-K279 HydrophobicContact CD2-CB 4.43Å; Y170-K279 HydrophobicContact CD2-CD 3.38Å; Y170-K279 HydrophobicContact CE1-CB 4.26Å; Y170-K279 HydrophobicContact CE1-CD 4.28Å; Y170-K279 HydrophobicContact CE2-CD 3.45Å; Y170-K279 VanDerWaalsContact CE2-CD 3.45Å; Y170-K279 HydrophobicContact CG-CB 3.93Å; Y170-K279 HydrophobicContact CG-CD 3.77Å; Y170-K279 HydrophobicContact CG-CG 4.49Å; D275-K279 WeakPolarHBondContact O-CB 3.41Å; D275-K279 WeakPolarHBondContact O-CG 3.35Å; D275-K279 PolarHBondContact O-N 3.2Å; D275-K279 WeakPolarHBondContact OD1-CE 3.39Å; D275-K279 IonicContact OD1-NZ 2.59Å; D275-K279 PolarHBondContact OD1-NZ 3.3Å; D275-K279 IonicContact OD2-NZ 3.37Å; D275-K279 PolarHBondContact OD2-NZ 3.23Å; F276-K279 PolarHBondContact O-N 3Å |
| 280 | M | 97.3 | Very high | 96.3 | Very high | 14 Ų | 14 | 77.8 Ų | 77.8 | 7% | 0.069 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -103.3 | 4.1 | -178.9 | -58.6 | -61.6 | -77.3 | 0 | 0 | 113.3 | W169 Y170 V173 N174 F276 N282 T283 L285 F287 | W169-M280 HydrophobicContact CH2-CE 4.13Å; W169-M280 HydrophobicContact CZ3-CE 4.06Å; W169-M280 HydrophobicContact CZ3-SD 4.02Å; Y170-M280 HydrophobicContact CD1-CG 3.98Å; Y170-M280 HydrophobicContact CD1-SD 3.88Å; V173-M280 HydrophobicContact CG2-CE 3.98Å; N174-M280 PolarHBondContact ND2-SD 2.83Å; F276-M280 HydrophobicContact CD1-CB 4.28Å; F276-M280 HydrophobicContact CD1-CG 4.08Å; F276-M280 HydrophobicContact CD2-CG 4.09Å; F276-M280 HydrophobicContact CE1-CB 4.01Å; F276-M280 HydrophobicContact CE1-CG 3.85Å; F276-M280 HydrophobicContact CE2-CG 3.88Å; F276-M280 HydrophobicContact CG-CG 4.18Å; F276-M280 HydrophobicContact CZ-CB 4.32Å; F276-M280 HydrophobicContact CZ-CE 4.47Å; F276-M280 HydrophobicContact CZ-CG 3.74Å; F276-M280 VanDerWaalsContact O-CB 3.23Å; F276-M280 WeakPolarHBondContact O-CB 3.39Å; F276-M280 WeakPolarHBondContact O-CG 3.23Å; F276-M280 PolarHBondContact O-N 3.12Å; M280-N282 PolarHBondContact O-N 2.81Å; M280-T283 HydrophobicContact CB-CG2 3.88Å; M280-T283 HydrophobicContact CE-CG2 3.58Å; M280-T283 WeakPolarHBondContact O-CG2 3.21Å; M280-T283 PolarHBondContact O-N 3.12Å; M280-T283 HydrophobicContact SD-CG2 4.24Å; M280-L285 HydrophobicContact CE-CB 4.38Å; M280-L285 HydrophobicContact CE-CD1 4.3Å; M280-F287 HydrophobicContact CE-CD2 4.45Å; M280-F287 HydrophobicContact CE-CE2 3.91Å |
| 281 | K | 92.9 | Very high | 95.9 | Very high | 147 Ų | 147 | 77.8 Ų | 77.8 | 64% | 0.639 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.6 | -174.4 | 65.1 | -175.5 | 179.9 | -177.3 | 0 | 116 | K277 N278 | K277-K281 WeakPolarHBondContact O-CB 3.35Å; K277-K281 PolarHBondContact O-N 2.95Å; K277-K281 VanDerWaalsContact O-N 3.12Å; N278-K281 WeakPolarHBondContact O-CD 3.14Å; N278-K281 WeakPolarHBondContact O-CG 3.42Å |
| 282 | N | 91.1 | Very high | 95.7 | Very high | 151 Ų | 151 | 77.6 Ų | 77.6 | 81% | 0.807 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 15.2 | -173.8 | -67.4 | -23.2 | 0 | 0 | 0 | 113.2 | M280 | M280-N282 PolarHBondContact O-N 2.81Š|
| 283 | T | 92.6 | Very high | 95.6 | Very high | 33 Ų | 33 | 81.6 Ų | 81.6 | 20% | 0.202 | 41% | 0.412 | C | S | . | . | trans | -109.9 | 150.7 | -179.8 | -172.4 | 0 | 0 | 0 | 0 | 111.7 | N174 M280 L285 | N174-T283 WeakPolarHBondContact OD1-CB 3.44Å; N174-T283 PolarHBondContact OD1-OG1 2.71Å; M280-T283 HydrophobicContact CB-CG2 3.88Å; M280-T283 HydrophobicContact CE-CG2 3.58Å; M280-T283 WeakPolarHBondContact O-CG2 3.21Å; M280-T283 PolarHBondContact O-N 3.12Å; M280-T283 HydrophobicContact SD-CG2 4.24Å; T283-L285 VanDerWaalsContact C-N 3.3Å; T283-L285 HydrophobicContact CG2-CB 4.14Å; T283-L285 PolarHBondContact OG1-N 2.95Å | ||
| 284 | A | 92.7 | Very high | 95.4 | Very high | 80 Ų | 80 | 82.3 Ų | 82.3 | 66% | 0.661 | 42% | 0.416 | S | S | * | . | trans | -86.4 | -3.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V286 | A284-V286 PolarHBondContact O-N 3.09Š| ||
| 285 | L | 95.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 79.2 Ų | 79.2 | 7% | 0.073 | 40% | 0.404 | C | S | . | . | trans | -66 | 128.4 | 178.1 | -72.2 | 171.1 | 0 | 0 | 0 | 110.9 | V173 W177 Y188 F190 M280 T283 F287 | V173-L285 HydrophobicContact CB-CD1 4.17Å; V173-L285 HydrophobicContact CG2-CD1 4.04Å; W177-L285 HydrophobicContact CB-CD1 3.79Å; W177-L285 HydrophobicContact CB-CD2 4.03Å; W177-L285 HydrophobicContact CB-CG 3.98Å; W177-L285 HydrophobicContact CD2-CD2 3.32Å; W177-L285 HydrophobicContact CD2-CG 3.82Å; W177-L285 HydrophobicContact CE3-CD2 3.34Å; W177-L285 HydrophobicContact CE3-CG 4.33Å; W177-L285 HydrophobicContact CG-CD1 4.02Å; W177-L285 HydrophobicContact CG-CD2 3.64Å; W177-L285 HydrophobicContact CG-CG 3.64Å; W177-L285 HydrophobicContact CH2-CD2 4.41Å; W177-L285 HydrophobicContact CZ2-CD2 4.42Å; W177-L285 HydrophobicContact CZ3-CD2 3.91Å; Y188-L285 HydrophobicContact CE1-CD2 3.87Å; F190-L285 HydrophobicContact CE1-CD2 4.09Å; F190-L285 HydrophobicContact CZ-CD2 3.81Å; M280-L285 HydrophobicContact CE-CB 4.38Å; M280-L285 HydrophobicContact CE-CD1 4.3Å; T283-L285 VanDerWaalsContact C-N 3.3Å; T283-L285 HydrophobicContact CG2-CB 4.14Å; T283-L285 PolarHBondContact OG1-N 2.95Å; L285-F287 HydrophobicContact CB-CD2 4.36Å; L285-F287 HydrophobicContact CB-CE2 3.76Å; L285-F287 HydrophobicContact CD1-CE2 4.01Å; L285-F287 HydrophobicContact CD1-CZ 4.21Å; L285-F287 HydrophobicContact CG-CE2 4.37Å | ||
| 286 | V | 95.1 | Very high | 95.1 | Very high | 118 Ų | 118 | 81.9 Ų | 81.9 | 72% | 0.715 | 42% | 0.417 | S | S | * | . | trans | -118.5 | 124.4 | 172.4 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | A284 | A284-V286 PolarHBondContact O-N 3.09Š| ||
| 287 | F | 97.7 | Very high | 94.9 | Very high | 23 Ų | 23 | 84.5 Ų | 84.5 | 10% | 0.101 | 43% | 0.433 | C | S | . | . | trans | -109.9 | 144.2 | 177.8 | -70 | -88.5 | 0 | 0 | 0 | 110.2 | A126 N128 W169 V173 F190 F276 M280 L285 | A126-F287 HydrophobicContact CB-CE1 3.62Å; A126-F287 HydrophobicContact CB-CZ 4Å; N128-F287 HydrophobicContact CB-CB 4.18Å; W169-F287 AromaticContact CH2-CD2 3.91Å; W169-F287 HydrophobicContact CH2-CD2 3.91Å; W169-F287 HydrophobicContact CH2-CE1 4.39Å; W169-F287 AromaticContact CH2-CE2 3.6Å; W169-F287 HydrophobicContact CH2-CE2 3.6Å; W169-F287 HydrophobicContact CH2-CG 4.42Å; W169-F287 AromaticContact CH2-CZ 3.87Å; W169-F287 HydrophobicContact CH2-CZ 3.87Å; W169-F287 HydrophobicContact CZ2-CD1 4.32Å; W169-F287 HydrophobicContact CZ2-CD2 4.34Å; W169-F287 AromaticContact CZ2-CE1 3.92Å; W169-F287 HydrophobicContact CZ2-CE1 3.92Å; W169-F287 AromaticContact CZ2-CE2 3.95Å; W169-F287 HydrophobicContact CZ2-CE2 3.95Å; W169-F287 AromaticContact CZ2-CZ 3.71Å; W169-F287 HydrophobicContact CZ2-CZ 3.71Å; V173-F287 HydrophobicContact CB-CZ 4.13Å; V173-F287 HydrophobicContact CG1-CZ 4.22Å; V173-F287 HydrophobicContact CG2-CE2 4.3Å; V173-F287 HydrophobicContact CG2-CZ 4.14Å; F190-F287 AromaticContact CD1-CD1 3.99Å; F190-F287 HydrophobicContact CD1-CD1 3.99Å; F190-F287 AromaticContact CD1-CE1 3.87Å; F190-F287 HydrophobicContact CD1-CE1 3.87Å; F190-F287 HydrophobicContact CE1-CD1 4.1Å; F190-F287 AromaticContact CE1-CE1 3.8Å; F190-F287 HydrophobicContact CE1-CE1 3.8Å; F190-F287 HydrophobicContact CE1-CZ 4.13Å; F276-F287 HydrophobicContact CZ-CD2 4.4Å; M280-F287 HydrophobicContact CE-CD2 4.45Å; M280-F287 HydrophobicContact CE-CE2 3.91Å; L285-F287 HydrophobicContact CB-CD2 4.36Å; L285-F287 HydrophobicContact CB-CE2 3.76Å; L285-F287 HydrophobicContact CD1-CE2 4.01Å; L285-F287 HydrophobicContact CD1-CZ 4.21Å; L285-F287 HydrophobicContact CG-CE2 4.37Å | ||
| 288 | R | 98.2 | Very high | 94.7 | Very high | 71 Ų | 71 | 79.3 Ų | 79.3 | 27% | 0.268 | 41% | 0.414 | S | S | . | . | trans | -99.1 | 130.1 | 174.5 | -57.9 | -175.5 | -71.6 | 163.6 | -8 | 109.5 | N128 E192 D193 E196 | N128-R288 WeakPolarHBondContact CB-O 3.19Å; E192-R288 HydrophobicContact CB-CB 4.31Å; E192-R288 HydrophobicContact CG-CB 4.12Å; E192-R288 VanDerWaalsContact CG-O 3.28Å; E192-R288 WeakPolarHBondContact CG-O 3.16Å; D193-R288 IonicContact OD1-CZ 2.62Å; D193-R288 IonicContact OD1-NE 3.65Å; D193-R288 IonicContact OD1-NH2 2.74Å; D193-R288 PolarHBondContact OD1-NH2 3.03Å; E196-R288 IonicContact OE1-CZ 2.8Å; E196-R288 IonicContact OE1-NH1 3.68Å; E196-R288 PolarHBondContact OE1-NH1 3.31Å; E196-R288 IonicContact OE2-CZ 3.93Å; E196-R288 IonicContact OE2-NH1 3.83Å; E196-R288 PolarHBondContact OE2-NH1 2.79Å; E196-R288 IonicContact OE2-NH2 3.4Å; E196-R288 PolarHBondContact OE2-NH2 2.81Å | ||
| 289 | N | 95.9 | Very high | 94.6 | Very high | 45 Ų | 45 | 78.3 Ų | 78.3 | 24% | 0.241 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -93.7 | -4.3 | 179.2 | -71 | -41.5 | 0 | 0 | 0 | 112.5 | G258 W260 | G258-N289 WeakPolarHBondContact CA-O 3.45Å; W260-N289 HydrophobicContact CZ2-CB 4.05Å; W260-N289 PolarHBondContact NE1-O 3.29Å |
| 290 | E | 93.9 | Very high | 94.3 | Very high | 118 Ų | 118 | 78 Ų | 78 | 55% | 0.551 | 41% | 0.413 | S | S | * | . | trans | -157.4 | 161.7 | 179 | 61.6 | -164.7 | 159.9 | 0 | 0 | 109.2 | K261 | K261-E290 IonicContact NZ-OE2 3.54Å; K261-E290 PolarHBondContact NZ-OE2 3.12Å | ||
| 291 | I | 89.4 | Confident | 94.1 | Very high | 122 Ų | 122 | 83.8 Ų | 83.8 | 63% | 0.626 | 44% | 0.444 | S | S | * | . | trans | -130.8 | 0 | 176.4 | 58.4 | 178.4 | 0 | 0 | 0 | 108.6 | E192 I195 V257 | E192-I291 HydrophobicContact CB-CG2 4.49Å; I195-I291 HydrophobicContact CB-CD1 4.03Å; I195-I291 HydrophobicContact CG2-CD1 3.18Å; V257-I291 HydrophobicContact CB-CD1 4.25Å; V257-I291 HydrophobicContact CB-CG1 4.19Å; V257-I291 HydrophobicContact CB-CG2 4.21Å; V257-I291 HydrophobicContact CG1-CG2 4.3Å; V257-I291 HydrophobicContact CG2-CD1 4.18Å; V257-I291 HydrophobicContact CG2-CG2 4.1Å |
Retrieved 291 of 291 residues in 592.7 ms
(Link to these results)